*HEADER   APOLIPOPROTEIN                          20-FEB-95   1ALF    
*COMPND   APOLIPOPROTEIN C-I (RESIDUES 35 - 53) (NMR, 5 STRUCTURES) 
*SOURCE   HUMAN (HOMO SAPIENS) SYNTHETIC      
*AUTHOR   A.ROZEK,G.W.BUCHKO,R.J.CUSHLEY   
*REVDAT  1   20-APR-95 1ALF    0  


The following are the NMR restraints used for the calculation of the five
deposited structures. 

!BIOSYM restraint 1
!
#remote_prochiral_center
1:VAL_15:HG2*   1:VAL_15:HG1*   1:VAL_15:CG2    1:VAL_15:CG1    1:VAL_15:CB    
1:LEUC_19:HD2*  1:LEUC_19:HD1*  1:LEUC_19:CD2   1:LEUC_19:CD1   1:LEUC_19:CG   
!
#NOE_distance
1:ALA_2:HN         1:ALA_2:HB*         2.000  4.000  2.500 10.00 10.00 100.000  0.00
1:PHE_8:HN         1:SER_9:HN          2.000  2.680  2.500 10.00 10.00 100.000  0.00
1:PHE_8:HN         1:TRP_7:HN          2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:ALA_2:HN         1:LYS+_3:HN         2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:PHE_12:HN        1:THR_11:HN         1.800  2.500  2.500 10.00 10.00 100.000  0.00
1:PHE_8:HN         1:GLU-_6:HN         2.510  3.830  3.500 10.00 10.00 100.000  0.00
1:PHE_12:HN        1:GLN_13:HN         2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:LYS+_16:HN       1:GLU-_17:HN        2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:VAL_15:HN        1:LYS+_14:HN        2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:GLN_13:HN        1:LYS+_14:HN        2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:VAL_15:HN        1:GLU-_17:HN        2.510  3.660  3.500 10.00 10.00 100.000  0.00
1:LYS+_16:HN       1:LYS+_14:HN        2.510  3.940  3.500 10.00 10.00 100.000  0.00
1:LYS+_18:HN       1:LEUC_19:HN        2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:LYS+_18:HN       1:GLU-_17:HN        2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:PHE_12:HN        1:PHE_12:HD*        3.510  5.000  3.500 10.00 10.00 100.000  0.00
1:TRP_7:HE1        1:TRP_7:HB*         3.510  5.100  3.500 10.00 10.00 100.000  0.00
1:PHE_8:HN         1:PHE_8:HBS         2.000  2.900  2.500 10.00 10.00 100.000  0.00
1:PHE_8:HN         1:PHE_8:HA          2.000  2.930  2.500 10.00 10.00 100.000  0.00
1:PHE_8:HN         1:PHE_8:HBR         2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:PHE_8:HN         1:TRP_7:HB*         2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:ALA_2:HN         1:SERN_1:HB*        2.510  4.500  3.500 10.00 10.00 100.000  0.00
1:ALA_2:HN         1:SERN_1:HA         2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:ALA_2:HN         1:ALA_2:HA          2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:PHE_12:HN        1:PHE_8:HA          3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:PHE_12:HN        1:SER_9:HA          2.510  3.600  3.500 10.00 10.00 100.000  0.00
1:PHE_8:HN         1:ARG+_5:HA         2.000  3.120  2.500 10.00 10.00 100.000  0.00
1:PHE_12:HN        1:PHE_12:HBR        2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:PHE_12:HN        1:PHE_12:HBS        2.000  2.710  2.500 10.00 10.00 100.000  0.00
1:PHE_12:HN        1:THR_11:HA         2.510  3.520  3.500 10.00 10.00 100.000  0.00
1:PHE_12:HN        1:THR_11:HB         2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:SER_9:HN         1:PHE_8:HBS         1.700  3.500  2.500 10.00 10.00 100.000  0.00
1:SER_9:HN         1:PHE_8:HBR         1.800  3.600  2.500 10.00 10.00 100.000  0.00
1:TRP_7:HN         1:TRP_7:HB*         2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:SER_9:HN         1:PHE_8:HA          2.510  3.520  3.500 10.00 10.00 100.000  0.00
1:LYS+_3:HN        1:ALA_2:HA          2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:TRP_7:HN         1:MET_4:HA          2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:TRP_7:HN         1:TRP_7:HA          2.000  3.010  2.500 10.00 10.00 100.000  0.00
1:THR_11:HN        1:THR_11:HA         2.000  3.080  2.500 10.00 10.00 100.000  0.00
1:THR_11:HN        1:THR_11:HB         2.000  2.550  2.500 10.00 10.00 100.000  0.00
1:THR_11:HN        1:PHE_8:HA          2.510  3.660  3.500 10.00 10.00 100.000  0.00
1:THR_11:HN        1:GLU-_10:HA        2.000  3.160  2.500 10.00 10.00 100.000  0.00
1:GLU-_6:HN        1:ARG+_5:HA         2.510  3.550  3.500 10.00 10.00 100.000  0.00
1:MET_4:HN         1:MET_4:HA          2.000  3.060  2.500 10.00 10.00 100.000  0.00
1:LYS+_16:HN       1:VAL_15:HA         2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:VAL_15:HN        1:VAL_15:HA         2.000  3.060  2.500 10.00 10.00 100.000  0.00
1:LYS+_16:HN       1:LYS+_16:HA        2.000  3.010  2.500 10.00 10.00 100.000  0.00
1:LYS+_16:HN       1:GLN_13:HA         2.000  2.880  2.500 10.00 10.00 100.000  0.00
1:VAL_15:HN        1:LYS+_14:HA        2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:VAL_15:HN        1:PHE_12:HA         2.510  3.530  3.500 10.00 10.00 100.000  0.00
1:ARG+_5:HN        1:ARG+_5:HA         2.000  3.020  2.500 10.00 10.00 100.000  0.00
1:ARG+_5:HN        1:MET_4:HA          2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:ARG+_5:HN        1:ALA_2:HA          2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:GLN_13:HN        1:PHE_12:HBR        2.510  3.640  3.500 10.00 10.00 100.000  0.00
1:GLN_13:HN        1:PHE_12:HBS        2.000  2.530  2.500 10.00 10.00 100.000  0.00
1:LYS+_18:HN       1:VAL_15:HA         2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:LYS+_18:HN       1:LYS+_16:HA        2.510  3.890  3.500 10.00 10.00 100.000  0.00
1:GLN_13:HN        1:GLN_13:HA         2.000  3.020  2.500 10.00 10.00 100.000  0.00
1:LYS+_18:HN       1:LYS+_18:HA        2.000  3.040  2.500 10.00 10.00 100.000  0.00
1:GLU-_17:HN       1:LYS+_16:HA        2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:GLU-_17:HN       1:GLN_13:HA         2.510  3.770  3.500 10.00 10.00 100.000  0.00
1:LYS+_14:HN       1:GLN_13:HA         2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:LYS+_14:HN       1:LYS+_14:HA        2.000  3.000  2.500 10.00 10.00 100.000  0.00
1:GLU-_17:HN       1:LYS+_14:HA        2.510  3.570  3.500 10.00 10.00 100.000  0.00
1:GLU-_17:HN       1:GLU-_17:HA        2.000  2.990  2.500 10.00 10.00 100.000  0.00
1:VAL_15:HN        1:GLN_13:HA         2.510  3.630  3.500 10.00 10.00 100.000  0.00
1:PHE_12:HD*       1:PHE_12:HBS        2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:PHE_12:HD*       1:PHE_12:HBR        2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:ARG+_5:HE        1:ARG+_5:HD*        2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:LEUC_19:HN       1:LYS+_16:HA        2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:PHE_12:HN        1:THR_11:HG*        3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:THR_11:HN        1:THR_11:HG*        3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:GLU-_10:HN       1:GLU-_10:HB2       2.000  3.700  2.500 10.00 10.00 100.000  0.00
1:LYS+_16:HN       1:VAL_15:HGR*       2.510  5.000  3.500 10.00 10.00 100.000  0.00
1:LYS+_16:HN       1:VAL_15:HGS*       2.510  5.000  3.500 10.00 10.00 100.000  0.00
1:VAL_15:HN        1:VAL_15:HGR*       2.510  5.000  3.500 10.00 10.00 100.000  0.00
1:VAL_15:HN        1:VAL_15:HGS*       2.000  4.000  2.500 10.00 10.00 100.000  0.00
1:ARG+_5:HN        1:MET_4:HB1         2.000  4.256  4.256 10.00 10.00 100.000  0.00
1:ARG+_5:HN        1:ARG+_5:HGS        2.510  4.440  3.500 10.00 10.00 100.000  0.00
1:ARG+_5:HN        1:ARG+_5:HGR        2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:ARG+_5:HN        1:ARG+_5:HB*        2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:GLU-_6:HN        1:ARG+_5:HB*        2.510  3.500  2.500 10.00 10.00 100.000  0.00
1:THR_11:HN        1:GLU-_10:HB2       2.510  4.500  4.247 10.00 10.00 100.000  0.00
1:GLU-_10:HN       1:GLU-_10:HG2       2.000  2.710  2.500 10.00 10.00 100.000  0.00
1:GLU-_10:HN       1:GLU-_10:HG1       2.000  2.760  2.500 10.00 10.00 100.000  0.00
1:MET_4:HN         1:MET_4:HG1         2.000  3.500  3.500 10.00 10.00 100.000  0.00
1:MET_4:HN         1:MET_4:HG2         2.000  3.500  3.500 10.00 10.00 100.000  0.00
1:GLU-_6:HN        1:GLU-_6:HG*        2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:LYS+_16:HN       1:VAL_15:HB         2.000  2.800  2.500 10.00 10.00 100.000  0.00
1:LYS+_16:HN       1:LYS+_16:HG*       2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:LYS+_3:HN        1:LYS+_3:HG2        2.000  5.262  5.262 10.00 10.00 100.000  0.00
1:LYS+_3:HN        1:LYS+_3:HBS        2.000  2.660  2.500 10.00 10.00 100.000  0.00
1:LYS+_3:HN        1:LYS+_3:HBR        2.000  2.610  2.500 10.00 10.00 100.000  0.00
1:GLN_13:HN        1:GLN_13:HG*        2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:GLN_13:HN        1:GLN_13:HB*        2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:LYS+_18:HN       1:GLU-_17:HB*       2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:LYS+_14:HN       1:GLN_13:HB*        2.000  3.740  2.500 10.00 10.00 100.000  0.00
1:GLU-_17:HN       1:GLU-_17:HB*       2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:LYS+_14:HN       1:GLN_13:HG*        2.510  4.500  3.500 10.00 10.00 100.000  0.00
1:GLU-_17:HN       1:GLU-_17:HGS       2.510  4.670  4.500 10.00 10.00 100.000  0.00
1:GLU-_17:HN       1:GLU-_17:HGR       2.510  4.500  4.500 10.00 10.00 100.000  0.00
1:ARG+_5:HE        1:ARG+_5:HGR        2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:ARG+_5:HE        1:ARG+_5:HB*        2.510  4.500  3.500 10.00 10.00 100.000  0.00
1:ARG+_5:HE        1:ARG+_5:HGS        2.510  3.800  3.500 10.00 10.00 100.000  0.00
1:PHE_8:HN         1:MET_4:HA          2.510  3.940  3.500 10.00 10.00 100.000  0.00
1:THR_11:HN        1:TRP_7:HA          3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:GLN_13:HN        1:SER_9:HA          3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:LYS+_16:HN       1:LYS+_14:HA        3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:PHE_12:HD*       1:SER_9:HA          3.510  7.000  5.000 10.00 10.00 100.000  0.00
1:PHE_12:HD*       1:PHE_12:HA         2.000  4.500  2.500 10.00 10.00 100.000  0.00
1:GLN_13:HE22      1:GLN_13:HG*        2.510  4.500  3.500 10.00 10.00 100.000  0.00
1:GLN_13:HE21      1:GLN_13:HG*        2.510  4.500  3.500 10.00 10.00 100.000  0.00
1:GLN_13:HE21      1:GLN_13:HE22       1.800  2.500  2.500 10.00 10.00 100.000  0.00
1:LEUC_19:HN       1:LEUC_19:HD2*      2.510  5.000  3.500 10.00 10.00 100.000  0.00
1:LEUC_19:HN       1:LEUC_19:HD1*      2.510  5.000  3.500 10.00 10.00 100.000  0.00
1:LEUC_19:HN       1:LEUC_19:HG        2.000  2.520  2.500 10.00 10.00 100.000  0.00
1:LEUC_19:HN       1:LEUC_19:HBR       2.000  2.550  2.500 10.00 10.00 100.000  0.00
1:LEUC_19:HN       1:LEUC_19:HBS       2.510  3.710  3.500 10.00 10.00 100.000  0.00
1:ALA_2:HB*        1:ALA_2:HA          2.000  4.000  2.500 10.00 10.00 100.000  0.00
1:TRP_7:HB*        1:TRP_7:HA          2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:TRP_7:HB*        1:MET_4:HA          2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:MET_4:HB1        1:MET_4:HA          2.000  4.256  4.256 10.00 10.00 100.000  0.00
1:VAL_15:HGS*      1:VAL_15:HA         2.000  4.000  2.500 10.00 10.00 100.000  0.00
1:VAL_15:HB        1:VAL_15:HA         2.000  3.120  2.500 10.00 10.00 100.000  0.00
1:THR_11:HG*       1:THR_11:HA         2.000  3.160  2.500 10.00 10.00 100.000  0.00
1:VAL_15:HGR*      1:VAL_15:HB         2.000  4.000  2.500 10.00 10.00 100.000  0.00
1:VAL_15:HGS*      1:VAL_15:HB         2.000  4.000  2.500 10.00 10.00 100.000  0.00
1:THR_11:HB        1:THR_11:HA         2.000  3.110  2.500 10.00 10.00 100.000  0.00
1:THR_11:HB        1:PHE_8:HA          2.400  3.500  3.500 10.00 10.00 100.000  0.00
1:PHE_8:HBS        1:PHE_8:HBR         1.700  2.500  2.500 10.00 10.00 100.000  0.00
1:MET_4:HG1        1:MET_4:HA          2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:LEUC_19:HBS      1:LEUC_19:HA        2.000  2.680  2.500 10.00 10.00 100.000  0.00
1:VAL_15:HGS*      1:PHE_12:HA         2.510  5.500  3.500 10.00 10.00 100.000  0.00
1:ARG+_5:HGR       1:ARG+_5:HD*        2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:ARG+_5:HGS       1:ARG+_5:HD*        2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:ALA_2:HB*        1:ARG+_5:HD*        3.510  7.500  3.500 10.00 10.00 100.000  0.00
1:ARG+_5:HB*       1:ARG+_5:HD*        2.000  4.500  2.500 10.00 10.00 100.000  0.00
1:PHE_12:HBR       1:PHE_12:HBS        1.700  2.500  2.500 10.00 10.00 100.000  0.00
1:LEUC_19:HD1*     1:LEUC_19:HG        2.000  4.000  2.500 10.00 10.00 100.000  0.00
1:LEUC_19:HD2*     1:LEUC_19:HG        2.000  4.000  2.500 10.00 10.00 100.000  0.00
1:MET_4:HB2        1:MET_4:HB1         1.700  4.256  4.256 10.00 10.00 100.000  0.00
1:GLU-_10:HB2      1:GLU-_10:HB1       1.700  4.247  4.247 10.00 10.00 100.000  0.00
1:LYS+_16:HG*      1:LYS+_16:HE2       2.510  4.500  3.500 10.00 10.00 100.000  0.00
1:LYS+_16:HG*      1:LYS+_16:HE1       2.510  4.500  3.500 10.00 10.00 100.000  0.00
1:LYS+_16:HD2      1:LYS+_16:HE2       2.000  5.270  5.270 10.00 10.00 100.000  0.00
1:LYS+_16:HG*      1:LYS+_16:HA        2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:LYS+_16:HG*      1:GLN_13:HA         2.510  4.500  3.500 10.00 10.00 100.000  0.00
1:LEUC_19:HG       1:LEUC_19:HA        2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:LEUC_19:HBR      1:LEUC_19:HA        2.000  3.110  2.500 10.00 10.00 100.000  0.00
1:ARG+_5:HGR       1:ARG+_5:HA         2.000  2.550  2.500 10.00 10.00 100.000  0.00
1:ARG+_5:HGS       1:ARG+_5:HA         2.000  2.980  2.500 10.00 10.00 100.000  0.00
1:LYS+_18:HD*      1:LYS+_18:HA        2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:GLU-_10:HB1      1:TRP_7:HA          1.800  3.500  3.500 10.00 10.00 100.000  0.00
1:GLU-_10:HB2      1:TRP_7:HA          2.510  4.020  3.500 10.00 10.00 100.000  0.00
1:GLU-_10:HB1      1:GLU-_10:HA        2.000  3.110  2.500 10.00 10.00 100.000  0.00
1:GLU-_10:HB2      1:GLU-_10:HA        2.000  2.540  2.500 10.00 10.00 100.000  0.00
1:GLN_13:HG*       1:GLN_13:HA         2.510  3.600  2.500 10.00 10.00 100.000  0.00
1:GLU-_17:HGS      1:GLU-_17:HA        2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:GLU-_17:HGR      1:GLU-_17:HA        2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:PHE_12:HBR       1:SER_9:HA          2.000  5.241  5.241 10.00 10.00 100.000  0.00
1:PHE_12:HBR       1:PHE_12:HA         2.000  4.241  4.241 10.00 10.00 100.000  0.00
1:LYS+_18:HN       1:LYS+_18:HG*       2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:LYS+_16:HN       1:LYS+_16:HB1       2.000  4.258  4.258 10.00 10.00 100.000  0.00
1:GLU-_17:HN       1:LYS+_16:HB2       2.000  5.258  5.258 10.00 10.00 100.000  0.00
1:VAL_15:HN        1:LYS+_14:HBS       2.510  3.550  3.500 10.00 10.00 100.000  0.00
1:VAL_15:HN        1:LYS+_14:HBR       2.510  3.770  3.500 10.00 10.00 100.000  0.00
1:LYS+_14:HN       1:LYS+_14:HBR       2.000  3.000  2.500 10.00 10.00 100.000  0.00
1:LYS+_14:HN       1:LYS+_14:HBS       2.000  3.070  2.500 10.00 10.00 100.000  0.00
1:LEUC_19:HN       1:LYS+_18:HB2       2.510  3.600  3.500 10.00 10.00 100.000  0.00
1:LEUC_19:HN       1:LYS+_18:HB1       2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:MET_4:HN         1:LYS+_3:HBS        2.510  3.670  3.500 10.00 10.00 100.000  0.00
1:MET_4:HN         1:LYS+_3:HBR        2.510  3.760  3.500 10.00 10.00 100.000  0.00
1:PHE_12:HN        1:LYS+_14:HN        2.510  3.590  3.500 10.00 10.00 100.000  0.00
1:THR_11:HN        1:GLN_13:HN         2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:LYS+_16:HN       1:VAL_15:HN         2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:GLN_13:HN        1:PHE_12:HD*        2.510  5.500  3.500 10.00 10.00 100.000  0.00
1:SER_9:HN         1:TRP_7:HB*         3.510  6.000  5.000 10.00 10.00 100.000  0.00
1:ARG+_5:HN        1:ARG+_5:HD*        2.510  4.720  3.500 10.00 10.00 100.000  0.00
1:GLU-_6:HN        1:ARG+_5:HD*        3.510  6.000  6.000 10.00 10.00 100.000  0.00
1:GLU-_17:HN       1:VAL_15:HA         3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:MET_4:HN         1:ALA_2:HB*         2.510  5.500  3.500 10.00 10.00 100.000  0.00
1:GLU-_6:HN        1:ALA_2:HB*         2.510  5.000  3.500 10.00 10.00 100.000  0.00
1:PHE_12:HD*       1:VAL_15:HGS*       3.510  7.000  3.500 10.00 10.00 100.000  0.00
1:LYS+_3:HN        1:ARG+_5:HN         2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:TRP_7:HN         1:ARG+_5:HN         2.510  3.660  3.500 10.00 10.00 100.000  0.00
1:PHE_8:HN         1:ARG+_5:HN         3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:LYS+_16:HN       1:LEUC_19:HN        3.510  5.030  5.000 10.00 10.00 100.000  0.00
1:THR_11:HN        1:LYS+_14:HN        2.510  4.030  3.500 10.00 10.00 100.000  0.00
1:VAL_15:HN        1:GLN_13:HN         2.510  3.990  3.500 10.00 10.00 100.000  0.00
1:LYS+_16:HN       1:LYS+_18:HN        2.510  3.860  3.500 10.00 10.00 100.000  0.00
1:PHE_12:HN        1:VAL_15:HN         3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:GLU-_10:HN       1:GLN_13:HN         3.510  5.210  5.000 10.00 10.00 100.000  0.00
1:SER_9:HN         1:TRP_7:HA          3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:MET_4:HN         1:LYS+_3:HG2        3.510  5.262  5.262 10.00 10.00 100.000  0.00
1:GLU-_6:HN        1:LYS+_3:HG2        3.510  6.762  6.762 10.00 10.00 100.000  0.00
1:SERN_1:HB*       1:SERN_1:HA         2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:TRP_7:HB*        1:PHE_8:HA          3.510  5.500  5.000 10.00 10.00 100.000  0.00
1:PHE_12:HBS       1:GLN_13:HA         3.510  6.741  6.741 10.00 10.00 100.000  0.00
1:LYS+_14:HE*      1:VAL_15:HA         2.510  4.500  3.500 10.00 10.00 100.000  0.00
1:GLU-_10:HG1      1:TRP_7:HA          3.510  5.245  5.245 10.00 10.00 100.000  0.00
1:THR_11:HB        1:PHE_12:HA         3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:THR_11:HA        1:PHE_8:HA          3.510  5.290  5.000 10.00 10.00 100.000  0.00
1:LYS+_16:HE1      1:GLN_13:HA         2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:LYS+_16:HE2      1:GLN_13:HA         2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:GLU-_17:HB*      1:GLU-_17:HA        2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:LYS+_14:HBS      1:LYS+_14:HA        2.000  4.258  4.258 10.00 10.00 100.000  0.00
1:LYS+_14:HBS      1:VAL_15:HA         2.000  4.258  4.258 10.00 10.00 100.000  0.00
1:MET_4:HG2        1:MET_4:HA          2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:VAL_15:HGS*      1:LYS+_14:HA        3.510  6.500  5.000 10.00 10.00 100.000  0.00
1:THR_11:HG*       1:PHE_8:HA          2.510  4.100  3.500 10.00 10.00 100.000  0.00
1:PHE_8:HBS        1:PHE_8:HA          2.000  4.241  4.241 10.00 10.00 100.000  0.00
1:LYS+_16:HD1      1:LYS+_16:HE2       2.000  5.270  5.270 10.00 10.00 100.000  0.00
1:VAL_15:HGR*      1:VAL_15:HGS*       2.000  5.500  2.500 10.00 10.00 100.000  0.00
1:ARG+_5:HN        1:ARG+_5:HE         2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:VAL_15:HN        1:VAL_15:HB         2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:LYS+_18:HN       1:GLU-_17:HA        2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:PHE_8:HN         1:TRP_7:HZ3         3.510  5.110  5.000 10.00 10.00 100.000  0.00
1:PHE_8:HN         1:TRP_7:HE3         2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:SER_9:HN         1:TRP_7:HE3         3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:THR_11:HN        1:TRP_7:HE3         3.510  5.350  5.000 10.00 10.00 100.000  0.00
1:GLU-_10:HN       1:PHE_12:HN         3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:TRP_7:HE1        1:TRP_7:HA          3.510  5.650  5.000 10.00 10.00 100.000  0.00
1:TRP_7:HE1        1:THR_11:HG*        3.510  6.360  5.000 10.00 10.00 100.000  0.00
1:GLU-_10:HN       1:GLU-_10:HA        2.000  3.020  2.500 10.00 10.00 100.000  0.00
1:SER_9:HN         1:SER_9:HB2         2.000  2.650  2.500 10.00 10.00 100.000  0.00
1:SER_9:HN         1:SER_9:HB1         2.000  2.650  2.500 10.00 10.00 100.000  0.00
1:THR_11:HN        1:PHE_12:HBS        3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:GLU-_6:HN        1:ALA_2:HA          3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:GLN_13:HN        1:LYS+_14:HA        3.510  5.170  5.000 10.00 10.00 100.000  0.00
1:LYS+_18:HN       1:LYS+_14:HA        3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:GLN_13:HN        1:THR_11:HB         3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:GLU-_10:HN       1:THR_11:HA         3.510  5.260  5.000 10.00 10.00 100.000  0.00
1:GLU-_10:HN       1:THR_11:HB         3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:THR_11:HN        1:PHE_12:HBR        3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:PHE_12:HN        1:GLN_13:HA         3.510  5.220  5.000 10.00 10.00 100.000  0.00
1:TRP_7:HZ3        1:PHE_8:HA          2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:TRP_7:HE3        1:PHE_8:HA          2.000  2.600  2.500 10.00 10.00 100.000  0.00
1:TRP_7:HE3        1:PHE_8:HBS         3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:TRP_7:HE3        1:PHE_8:HBR         3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:TRP_7:HE3        1:TRP_7:HB*         2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:TRP_7:HE3        1:TRP_7:HA          3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:TRP_7:HE3        1:MET_4:HA          2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:PHE_12:HD*       1:GLN_13:HA         2.510  5.500  3.500 10.00 10.00 100.000  0.00
1:LEUC_19:HN       1:GLU-_17:HA        3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:LEUC_19:HN       1:LEUC_19:HA        2.000  2.970  2.500 10.00 10.00 100.000  0.00
1:LEUC_19:HN       1:LYS+_18:HA        2.510  3.550  3.500 10.00 10.00 100.000  0.00
1:SER_9:HN         1:GLU-_10:HG2       3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:SER_9:HN         1:GLU-_10:HG1       3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:MET_4:HN         1:MET_4:HB1         2.000  4.256  4.256 10.00 10.00 100.000  0.00
1:GLU-_10:HN       1:GLU-_10:HB1       2.000  2.630  2.500 10.00 10.00 100.000  0.00
1:ARG+_5:HN        1:MET_4:HG2         2.000  5.275  5.275 10.00 10.00 100.000  0.00
1:LYS+_3:HN        1:ALA_2:HB*         2.000  4.410  2.500 10.00 10.00 100.000  0.00
1:VAL_15:HN        1:LYS+_16:HB1       3.500  5.258  5.258 10.00 10.00 100.000  0.00
1:TRP_7:HZ3        1:THR_11:HG*        2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:LYS+_18:HN       1:LEUC_19:HG        3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:ARG+_5:HE        1:ALA_2:HB*         2.510  5.000  3.500 10.00 10.00 100.000  0.00
1:PHE_12:HD*       1:GLN_13:HG*        3.510  8.000  8.000 10.00 10.00 100.000  0.00
1:TRP_7:HZ2        1:THR_11:HG*        3.510  5.000  5.000 10.00 10.00 100.000  0.00
1:LYS+_14:HN       1:VAL_15:HGS*       3.510  6.500  5.000 10.00 10.00 100.000  0.00
1:LYS+_18:HN       1:VAL_15:HGS*       3.510  6.500  5.000 10.00 10.00 100.000  0.00
1:GLU-_17:HN       1:VAL_15:HGS*       3.510  6.500  5.000 10.00 10.00 100.000  0.00
1:GLU-_17:HN       1:LYS+_16:HG*       2.510  4.500  3.500 10.00 10.00 100.000  0.00
1:ARG+_5:HB*       1:ALA_2:HA          2.510  4.500  3.500 10.00 10.00 100.000  0.00
1:ARG+_5:HD*       1:ALA_2:HA          3.510  6.000  5.000 10.00 10.00 100.000  0.00
1:TRP_7:HH2        1:THR_11:HG*        2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:PHE_8:HD*        1:PHE_8:HBR         1.800  3.500  2.500 10.00 10.00 100.000  0.00
1:PHE_8:HD*        1:PHE_8:HBS         1.800  3.500  2.500 10.00 10.00 100.000  0.00
!
#mixing_times
5.000000E-02 7.500000E-02 1.000000E-01 1.500000E-01 

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  175 H/Q atoms
  Start of MODEL    1
    1   1H    SER   1          2H        SER   1  15.518  -0.577  -6.534
    2   2H    SER   1          3H        SER   1  15.843  -1.749  -7.695
    3   3H    SER   1          1H        SER   1  14.669  -0.580  -7.985
    4    HA   SER   1           HA       SER   1  13.511  -2.498  -7.493
    5   1HB   SER   1          1HB       SER   1  15.794  -2.894  -5.592
    6   2HB   SER   1          2HB       SER   1  14.246  -3.315  -4.876
    7    HG   SER   1           HG       SER   1  13.913  -4.570  -6.922
    8    H    ALA   2           H        ALA   2  11.934  -2.884  -5.787
    9    HA   ALA   2           HA       ALA   2  11.448  -0.714  -3.834
   10   1HB   ALA   2          2HB       ALA   2  11.010   0.587  -5.958
   11   2HB   ALA   2          3HB       ALA   2   9.817  -0.625  -6.482
   12   3HB   ALA   2          1HB       ALA   2   9.499   0.383  -5.050
   13    H    LYS   3           H        LYS   3  11.294  -2.522  -2.612
   14    HA   LYS   3           HA       LYS   3   8.935  -4.344  -3.118
   15   1HB   LYS   3          1HB       LYS   3  11.268  -5.096  -2.186
   16   2HB   LYS   3          2HB       LYS   3  10.846  -4.292  -0.680
   17   1HG   LYS   3          1HG       LYS   3   8.762  -5.802  -0.503
   18   2HG   LYS   3          2HG       LYS   3   9.251  -6.609  -1.992
   19   1HD   LYS   3          1HD       LYS   3  10.111  -8.074  -0.389
   20   2HD   LYS   3          2HD       LYS   3  11.531  -7.027  -0.579
   21   1HE   LYS   3          1HE       LYS   3   9.991  -5.572   1.304
   22   2HE   LYS   3          2HE       LYS   3   9.656  -7.244   1.781
   23   1HZ   LYS   3          3HZ       LYS   3  12.327  -7.279   1.257
   24   2HZ   LYS   3          1HZ       LYS   3  12.108  -5.769   1.963
   25   3HZ   LYS   3          2HZ       LYS   3  11.619  -7.156   2.777
   26    H    MET   4           H        MET   4   9.956  -1.791  -0.964
   27    HA   MET   4           HA       MET   4   7.285  -2.003   0.491
   28   1HB   MET   4          1HB       MET   4   9.576  -0.045   1.172
   29   2HB   MET   4          2HB       MET   4   8.278  -0.594   2.220
   30   1HG   MET   4          2HG       MET   4   9.276  -2.947   2.199
   31   2HG   MET   4          1HG       MET   4  10.663  -2.323   1.284
   32   1HE   MET   4          1HE       MET   4   9.984  -3.750   3.987
   33   2HE   MET   4          3HE       MET   4  11.736  -3.475   4.246
   34   3HE   MET   4          2HE       MET   4  10.552  -2.905   5.461
   35    NH1  ARG   5           NH2      ARG   5  13.421   2.774  -1.181
   36    NH2  ARG   5           NH1      ARG   5  13.121   0.576  -1.141
   37    H    ARG   5           H        ARG   5   8.951  -0.105  -1.839
   38    HA   ARG   5           HA       ARG   5   7.126   2.231  -1.522
   39   1HB   ARG   5          1HB       ARG   5   9.234   1.355  -3.589
   40   2HB   ARG   5          2HB       ARG   5   8.163   2.689  -3.978
   41   1HG   ARG   5          1HG       ARG   5   9.220   4.152  -2.425
   42   2HG   ARG   5          2HG       ARG   5   9.520   2.869  -1.257
   43   1HD   ARG   5          1HD       ARG   5  11.052   3.015  -3.933
   44   2HD   ARG   5          2HD       ARG   5  11.580   3.917  -2.488
   45    HE   ARG   5           HE       ARG   5  11.159   0.894  -2.490
   46   1HH1  ARG   5          2HH2      ARG   5  13.039   3.652  -1.536
   47   2HH1  ARG   5          1HH2      ARG   5  14.248   2.607  -0.610
   48   1HH2  ARG   5          1HH1      ARG   5  12.506  -0.170  -1.471
   49   2HH2  ARG   5          2HH1      ARG   5  13.964   0.529  -0.573
   50    H    GLU   6           H        GLU   6   7.446  -0.431  -3.827
   51    HA   GLU   6           HA       GLU   6   5.024   0.281  -5.358
   52   1HB   GLU   6          1HB       GLU   6   6.320  -2.489  -4.900
   53   2HB   GLU   6          2HB       GLU   6   5.141  -2.134  -6.139
   54   1HG   GLU   6          1HG       GLU   6   7.989  -0.908  -6.000
   55   2HG   GLU   6          2HG       GLU   6   7.538  -2.255  -7.014
   56    CH2  TRP   7           CH2      TRP   7   2.703  -1.418   4.303
   57    H    TRP   7           H        TRP   7   5.665  -1.590  -2.482
   58    HA   TRP   7           HA       TRP   7   2.850  -2.518  -2.178
   59   1HB   TRP   7          1HB       TRP   7   4.728  -3.752  -1.080
   60   2HB   TRP   7          2HB       TRP   7   5.282  -2.314  -0.253
   61    HD1  TRP   7           HD1      TRP   7   2.840  -5.208   0.137
   62    HE1  TRP   7           HE1      TRP   7   1.725  -5.202   2.550
   63    HE3  TRP   7           HE3      TRP   7   4.421  -0.556   1.478
   64    HZ2  TRP   7           HZ2      TRP   7   1.654  -3.276   4.641
   65    HZ3  TRP   7           HZ3      TRP   7   3.821   0.322   3.713
   66    HH2  TRP   7           HH2      TRP   7   2.454  -1.012   5.272
   67    H    PHE   8           H        PHE   8   4.651   0.325  -1.315
   68    HA   PHE   8           HA       PHE   8   2.897   1.398   0.727
   69   1HB   PHE   8          1HB       PHE   8   5.144   2.404  -0.345
   70   2HB   PHE   8          2HB       PHE   8   4.104   3.122  -1.542
   71    HD1  PHE   8           HD1      PHE   8   1.739   3.981   0.134
   72    HD2  PHE   8           HD2      PHE   8   5.958   4.277   0.893
   73    HE1  PHE   8           HE1      PHE   8   1.335   5.886   1.636
   74    HE2  PHE   8           HE2      PHE   8   5.548   6.201   2.380
   75    HZ   PHE   8           HZ       PHE   8   3.238   7.019   2.742
   76    H    SER   9           H        SER   9   2.677   1.405  -2.776
   77    HA   SER   9           HA       SER   9   0.187   3.012  -2.825
   78   1HB   SER   9          2HB       SER   9   1.747   2.749  -4.849
   79   2HB   SER   9          1HB       SER   9   1.259   1.066  -4.970
   80    HG   SER   9           HG       SER   9  -0.568   1.623  -5.836
   81    H    GLU  10           H        GLU  10   0.974  -0.369  -2.606
   82    HA   GLU  10           HA       GLU  10  -1.943  -1.128  -2.674
   83   1HB   GLU  10          1HB       GLU  10   0.498  -2.862  -1.915
   84   2HB   GLU  10          2HB       GLU  10  -1.067  -3.448  -2.426
   85   1HG   GLU  10          1HG       GLU  10  -0.188  -1.830  -4.640
   86   2HG   GLU  10          2HG       GLU  10   1.284  -2.586  -4.085
   87    H    THR  11           H        THR  11  -0.440   0.531  -0.487
   88    HA   THR  11           HA       THR  11  -1.653  -1.065   1.830
   89    HB   THR  11           HB       THR  11   0.620   1.028   1.787
   90    HG1  THR  11           HG1      THR  11   1.812  -0.720   2.565
   91   1HG2  THR  11          3HG2      THR  11  -0.486  -0.463   4.280
   92   2HG2  THR  11          1HG2      THR  11   0.984   0.543   4.244
   93   3HG2  THR  11          2HG2      THR  11  -0.594   1.292   4.003
   94    H    PHE  12           H        PHE  12  -1.339   2.039   0.252
   95    HA   PHE  12           HA       PHE  12  -3.143   3.453   2.165
   96   1HB   PHE  12          1HB       PHE  12  -1.384   4.466   0.424
   97   2HB   PHE  12          2HB       PHE  12  -2.605   4.207  -0.789
   98    HD1  PHE  12           HD1      PHE  12  -2.486   5.735   2.679
   99    HD2  PHE  12           HD2      PHE  12  -3.888   6.099  -1.367
  100    HE1  PHE  12           HE1      PHE  12  -3.401   7.957   3.197
  101    HE2  PHE  12           HE2      PHE  12  -4.816   8.321  -0.836
  102    HZ   PHE  12           HZ       PHE  12  -4.589   9.248   1.449
  103    H    GLN  13           H        GLN  13  -3.442   1.845  -0.946
  104    HA   GLN  13           HA       GLN  13  -6.389   2.365  -1.062
  105   1HB   GLN  13          1HB       GLN  13  -4.800   0.240  -2.641
  106   2HB   GLN  13          2HB       GLN  13  -6.323   0.997  -3.104
  107   1HG   GLN  13          1HG       GLN  13  -4.366   3.162  -2.833
  108   2HG   GLN  13          2HG       GLN  13  -3.556   1.873  -3.690
  109   1HE2  GLN  13          2HE2      GLN  13  -6.175   2.430  -6.399
  110   2HE2  GLN  13          1HE2      GLN  13  -5.873   1.024  -5.235
  111    H    LYS  14           H        LYS  14  -4.341   0.093   0.448
  112    HA   LYS  14           HA       LYS  14  -6.420  -2.001   0.755
  113   1HB   LYS  14          1HB       LYS  14  -3.727  -2.012   1.166
  114   2HB   LYS  14          2HB       LYS  14  -4.173  -1.546   2.801
  115   1HG   LYS  14          1HG       LYS  14  -5.465  -4.009   1.442
  116   2HG   LYS  14          2HG       LYS  14  -3.890  -4.122   2.224
  117   1HD   LYS  14          1HD       LYS  14  -6.657  -3.576   3.423
  118   2HD   LYS  14          2HD       LYS  14  -5.503  -4.858   3.839
  119   1HE   LYS  14          1HE       LYS  14  -4.038  -3.373   5.049
  120   2HE   LYS  14          2HE       LYS  14  -4.646  -1.923   4.236
  121   1HZ   LYS  14          1HZ       LYS  14  -6.897  -2.772   5.337
  122   2HZ   LYS  14          2HZ       LYS  14  -5.814  -3.415   6.451
  123   3HZ   LYS  14          3HZ       LYS  14  -5.813  -1.763   6.134
  124    H    VAL  15           H        VAL  15  -5.698   1.016   2.251
  125    HA   VAL  15           HA       VAL  15  -7.449   0.418   4.640
  126    HB   VAL  15           HB       VAL  15  -5.906   2.906   3.650
  127   1HG1  VAL  15          1HG2      VAL  15  -7.573   2.845   6.264
  128   2HG1  VAL  15          2HG2      VAL  15  -6.419   4.119   5.795
  129   3HG1  VAL  15          3HG2      VAL  15  -7.877   3.881   4.849
  130   1HG2  VAL  15          2HG1      VAL  15  -4.490   1.131   4.778
  131   2HG2  VAL  15          3HG1      VAL  15  -4.496   2.650   5.680
  132   3HG2  VAL  15          1HG1      VAL  15  -5.476   1.276   6.251
  133    H    LYS  16           H        LYS  16  -7.567   2.080   1.576
  134    HA   LYS  16           HA       LYS  16 -10.222   3.328   2.193
  135   1HB   LYS  16          1HB       LYS  16  -8.844   2.901  -0.554
  136   2HB   LYS  16          2HB       LYS  16 -10.201   3.975  -0.247
  137   1HG   LYS  16          1HG       LYS  16  -8.412   4.990   1.626
  138   2HG   LYS  16          2HG       LYS  16  -7.258   4.313   0.479
  139   1HD   LYS  16          1HD       LYS  16  -9.498   6.346  -0.164
  140   2HD   LYS  16          2HD       LYS  16  -7.798   6.759   0.134
  141   1HE   LYS  16          1HE       LYS  16  -7.016   5.537  -1.845
  142   2HE   LYS  16          2HE       LYS  16  -8.566   4.707  -2.059
  143   1HZ   LYS  16          2HZ       LYS  16  -9.422   7.199  -2.146
  144   2HZ   LYS  16          3HZ       LYS  16  -7.854   7.467  -2.691
  145   3HZ   LYS  16          1HZ       LYS  16  -8.855   6.390  -3.507
  146    H    GLU  17           H        GLU  17  -9.029   0.376   0.843
  147    HA   GLU  17           HA       GLU  17 -11.647  -0.448  -0.324
  148   1HB   GLU  17          1HB       GLU  17  -8.928  -1.321  -0.394
  149   2HB   GLU  17          2HB       GLU  17  -9.727  -2.602   0.484
  150   1HG   GLU  17          1HG       GLU  17 -11.160  -3.179  -1.410
  151   2HG   GLU  17          2HG       GLU  17 -10.871  -1.666  -2.231
  152    H    LYS  18           H        LYS  18 -10.105  -0.578   2.771
  153    HA   LYS  18           HA       LYS  18 -11.860  -2.748   3.827
  154   1HB   LYS  18          1HB       LYS  18  -9.902  -0.722   5.073
  155   2HB   LYS  18          2HB       LYS  18 -10.954  -1.662   6.121
  156   1HG   LYS  18          1HG       LYS  18  -9.365  -3.201   3.998
  157   2HG   LYS  18          2HG       LYS  18  -8.457  -2.511   5.341
  158   1HD   LYS  18          1HD       LYS  18 -10.634  -3.811   6.609
  159   2HD   LYS  18          2HD       LYS  18 -10.318  -4.850   5.206
  160   1HE   LYS  18          1HE       LYS  18  -8.650  -5.769   6.567
  161   2HE   LYS  18          2HE       LYS  18  -7.690  -4.401   5.984
  162   1HZ   LYS  18          3HZ       LYS  18  -9.452  -3.875   8.258
  163   2HZ   LYS  18          1HZ       LYS  18  -8.107  -4.844   8.539
  164   3HZ   LYS  18          2HZ       LYS  18  -7.911  -3.292   7.923
  165    H    LEU  19           H        LEU  19 -11.880   0.735   3.710
  166    HA   LEU  19           HA       LEU  19 -14.098   1.116   5.596
  167   1HB   LEU  19          1HB       LEU  19 -13.210   2.809   3.165
  168   2HB   LEU  19          2HB       LEU  19 -14.449   3.324   4.292
  169    HG   LEU  19           HG       LEU  19 -11.565   2.717   5.167
  170   1HD1  LEU  19          3HD2      LEU  19 -11.684   4.640   3.454
  171   2HD1  LEU  19          1HD2      LEU  19 -12.740   5.518   4.566
  172   3HD1  LEU  19          2HD2      LEU  19 -11.065   5.132   5.050
  173   1HD2  LEU  19          2HD1      LEU  19 -13.365   2.683   6.965
  174   2HD2  LEU  19          3HD1      LEU  19 -12.187   3.995   7.214
  175   3HD2  LEU  19          1HD1      LEU  19 -13.798   4.350   6.545
   
  Start of MODEL           2
 Raw file had  175 H/Q atoms
  Start of MODEL    2
    1   1H    SER   1          2H        SER   1  11.814  -1.658  -8.630
    2   2H    SER   1          3H        SER   1  12.966  -0.485  -8.981
    3   3H    SER   1          1H        SER   1  13.280  -2.101  -9.324
    4    HA   SER   1           HA       SER   1  13.375  -2.702  -7.088
    5   1HB   SER   1          1HB       SER   1  14.968  -0.185  -7.842
    6   2HB   SER   1          2HB       SER   1  15.214  -0.944  -6.278
    7    HG   SER   1           HG       SER   1  15.272  -2.564  -8.597
    8    H    ALA   2           H        ALA   2  11.629  -2.670  -5.951
    9    HA   ALA   2           HA       ALA   2  11.429  -0.656  -3.839
   10   1HB   ALA   2          2HB       ALA   2  10.597   0.818  -5.719
   11   2HB   ALA   2          3HB       ALA   2   9.329  -0.366  -6.116
   12   3HB   ALA   2          1HB       ALA   2   9.285   0.507  -4.566
   13    H    LYS   3           H        LYS   3  11.351  -2.305  -2.546
   14    HA   LYS   3           HA       LYS   3   9.170  -4.370  -2.875
   15   1HB   LYS   3          1HB       LYS   3  11.599  -4.816  -1.979
   16   2HB   LYS   3          2HB       LYS   3  11.123  -3.991  -0.501
   17   1HG   LYS   3          2HG       LYS   3   9.016  -5.845  -0.798
   18   2HG   LYS   3          1HG       LYS   3  10.356  -6.744  -1.505
   19   1HD   LYS   3          1HD       LYS   3  10.879  -5.449   1.170
   20   2HD   LYS   3          2HD       LYS   3   9.837  -6.884   1.112
   21   1HE   LYS   3          1HE       LYS   3  11.679  -7.997  -0.414
   22   2HE   LYS   3          2HE       LYS   3  12.747  -6.666   0.057
   23   1HZ   LYS   3          2HZ       LYS   3  11.289  -8.077   2.184
   24   2HZ   LYS   3          3HZ       LYS   3  12.613  -8.831   1.472
   25   3HZ   LYS   3          1HZ       LYS   3  12.798  -7.336   2.220
   26    H    MET   4           H        MET   4  10.030  -1.684  -0.788
   27    HA   MET   4           HA       MET   4   7.341  -1.984   0.623
   28   1HB   MET   4          1HB       MET   4   9.317   0.226   1.360
   29   2HB   MET   4          2HB       MET   4   8.249  -0.705   2.399
   30   1HG   MET   4          2HG       MET   4   9.733  -2.617   2.460
   31   2HG   MET   4          1HG       MET   4  10.724  -2.023   1.113
   32   1HE   MET   4          1HE       MET   4  10.668  -2.810   4.408
   33   2HE   MET   4          3HE       MET   4  12.360  -2.790   3.822
   34   3HE   MET   4          2HE       MET   4  11.888  -1.785   5.226
   35    NH1  ARG   5           NH2      ARG   5  12.655   2.851  -0.870
   36    NH2  ARG   5           NH1      ARG   5  12.580   0.648  -1.123
   37    H    ARG   5           H        ARG   5   8.856  -0.196  -1.850
   38    HA   ARG   5           HA       ARG   5   7.024   2.142  -1.609
   39   1HB   ARG   5          1HB       ARG   5   9.154   1.156  -3.547
   40   2HB   ARG   5          2HB       ARG   5   7.953   2.242  -4.222
   41   1HG   ARG   5          1HG       ARG   5   8.786   4.103  -3.021
   42   2HG   ARG   5          2HG       ARG   5   9.109   3.155  -1.572
   43   1HD   ARG   5          1HD       ARG   5  10.839   3.146  -4.138
   44   2HD   ARG   5          2HD       ARG   5  11.221   4.006  -2.624
   45    HE   ARG   5           HE       ARG   5  10.985   0.981  -2.892
   46   1HH1  ARG   5          2HH2      ARG   5  12.281   3.734  -1.220
   47   2HH1  ARG   5          1HH2      ARG   5  13.326   2.678  -0.124
   48   1HH2  ARG   5          2HH1      ARG   5  13.254   0.595  -0.362
   49   2HH2  ARG   5          1HH1      ARG   5  12.144  -0.097  -1.671
   50    H    GLU   6           H        GLU   6   7.243  -0.694  -3.711
   51    HA   GLU   6           HA       GLU   6   4.735  -0.117  -5.161
   52   1HB   GLU   6          1HB       GLU   6   5.023  -2.257  -6.133
   53   2HB   GLU   6          2HB       GLU   6   6.662  -1.793  -5.745
   54   1HG   GLU   6          1HG       GLU   6   6.773  -3.357  -3.845
   55   2HG   GLU   6          2HG       GLU   6   5.044  -3.596  -3.816
   56    CH2  TRP   7           CH2      TRP   7   2.758  -1.145   4.664
   57    H    TRP   7           H        TRP   7   5.550  -1.748  -2.186
   58    HA   TRP   7           HA       TRP   7   2.754  -2.657  -1.637
   59   1HB   TRP   7          1HB       TRP   7   4.737  -3.797  -0.602
   60   2HB   TRP   7          2HB       TRP   7   5.292  -2.305   0.122
   61    HD1  TRP   7           HD1      TRP   7   2.986  -5.245   0.806
   62    HE1  TRP   7           HE1      TRP   7   1.932  -5.102   3.243
   63    HE3  TRP   7           HE3      TRP   7   4.387  -0.441   1.742
   64    HZ2  TRP   7           HZ2      TRP   7   1.820  -3.021   5.181
   65    HZ3  TRP   7           HZ3      TRP   7   3.771   0.596   3.906
   66    HH2  TRP   7           HH2      TRP   7   2.501  -0.670   5.599
   67    H    PHE   8           H        PHE   8   4.599   0.239  -1.134
   68    HA   PHE   8           HA       PHE   8   2.897   1.464   0.891
   69   1HB   PHE   8          1HB       PHE   8   5.201   2.289  -0.301
   70   2HB   PHE   8          2HB       PHE   8   4.137   3.067  -1.440
   71    HD1  PHE   8           HD2      PHE   8   5.237   3.091   2.137
   72    HD2  PHE   8           HD1      PHE   8   2.903   5.082  -0.872
   73    HE1  PHE   8           HE2      PHE   8   4.997   5.055   3.611
   74    HE2  PHE   8           HE1      PHE   8   2.660   7.034   0.607
   75    HZ   PHE   8           HZ       PHE   8   3.714   7.031   2.847
   76    H    SER   9           H        SER   9   2.722   1.422  -2.624
   77    HA   SER   9           HA       SER   9   0.305   3.154  -2.704
   78   1HB   SER   9          2HB       SER   9   1.890   2.833  -4.708
   79   2HB   SER   9          1HB       SER   9   1.315   1.180  -4.852
   80    HG   SER   9           HG       SER   9   0.269   2.855  -6.190
   81    H    GLU  10           H        GLU  10   0.911  -0.307  -2.849
   82    HA   GLU  10           HA       GLU  10  -2.015  -0.914  -2.732
   83   1HB   GLU  10          1HB       GLU  10   0.469  -2.706  -2.333
   84   2HB   GLU  10          2HB       GLU  10  -1.152  -3.308  -2.576
   85   1HG   GLU  10          2HG       GLU  10  -0.531  -1.504  -4.845
   86   2HG   GLU  10          1HG       GLU  10   0.879  -2.490  -4.582
   87    H    THR  11           H        THR  11  -0.372   0.524  -0.485
   88    HA   THR  11           HA       THR  11  -1.626  -1.169   1.729
   89    HB   THR  11           HB       THR  11   0.744   0.773   1.695
   90    HG1  THR  11           HG1      THR  11   1.657  -0.932   2.849
   91   1HG2  THR  11          3HG2      THR  11  -0.691  -0.116   4.300
   92   2HG2  THR  11          1HG2      THR  11   0.892   0.695   4.216
   93   3HG2  THR  11          2HG2      THR  11  -0.561   1.562   3.722
   94    H    PHE  12           H        PHE  12  -1.323   2.007   0.303
   95    HA   PHE  12           HA       PHE  12  -3.202   3.317   2.222
   96   1HB   PHE  12          1HB       PHE  12  -1.415   4.437   0.581
   97   2HB   PHE  12          2HB       PHE  12  -2.583   4.188  -0.689
   98    HD1  PHE  12           HD2      PHE  12  -3.414   5.304   2.836
   99    HD2  PHE  12           HD1      PHE  12  -3.036   6.418  -1.297
  100    HE1  PHE  12           HE2      PHE  12  -4.478   7.475   3.316
  101    HE2  PHE  12           HE1      PHE  12  -4.109   8.577  -0.814
  102    HZ   PHE  12           HZ       PHE  12  -4.815   9.122   1.496
  103    H    GLN  13           H        GLN  13  -3.387   1.802  -0.938
  104    HA   GLN  13           HA       GLN  13  -6.342   2.283  -1.134
  105   1HB   GLN  13          1HB       GLN  13  -4.721   0.194  -2.713
  106   2HB   GLN  13          2HB       GLN  13  -6.197   1.018  -3.212
  107   1HG   GLN  13          1HG       GLN  13  -3.817   2.856  -2.727
  108   2HG   GLN  13          2HG       GLN  13  -3.601   1.719  -4.035
  109   1HE2  GLN  13          2HE2      GLN  13  -5.733   5.071  -4.645
  110   2HE2  GLN  13          1HE2      GLN  13  -4.872   4.689  -3.053
  111    H    LYS  14           H        LYS  14  -4.284   0.059   0.409
  112    HA   LYS  14           HA       LYS  14  -6.309  -2.100   0.633
  113   1HB   LYS  14          1HB       LYS  14  -3.608  -1.981   1.121
  114   2HB   LYS  14          2HB       LYS  14  -4.137  -1.612   2.754
  115   1HG   LYS  14          1HG       LYS  14  -5.500  -4.017   1.472
  116   2HG   LYS  14          2HG       LYS  14  -3.767  -4.193   1.745
  117   1HD   LYS  14          1HD       LYS  14  -6.056  -3.799   3.741
  118   2HD   LYS  14          2HD       LYS  14  -4.845  -5.095   3.681
  119   1HE   LYS  14          1HE       LYS  14  -3.349  -2.606   3.912
  120   2HE   LYS  14          2HE       LYS  14  -4.659  -2.498   5.098
  121   1HZ   LYS  14          2HZ       LYS  14  -3.250  -5.063   4.907
  122   2HZ   LYS  14          3HZ       LYS  14  -2.435  -3.770   5.608
  123   3HZ   LYS  14          1HZ       LYS  14  -3.904  -4.282   6.246
  124    H    VAL  15           H        VAL  15  -5.838   0.942   2.113
  125    HA   VAL  15           HA       VAL  15  -7.607   0.149   4.478
  126    HB   VAL  15           HB       VAL  15  -6.068   2.755   3.820
  127   1HG1  VAL  15          1HG2      VAL  15  -7.598   2.172   6.454
  128   2HG1  VAL  15          2HG2      VAL  15  -6.517   3.559   6.163
  129   3HG1  VAL  15          3HG2      VAL  15  -8.012   3.420   5.254
  130   1HG2  VAL  15          2HG1      VAL  15  -4.533   0.879   4.561
  131   2HG2  VAL  15          3HG1      VAL  15  -4.550   2.219   5.712
  132   3HG2  VAL  15          1HG1      VAL  15  -5.449   0.724   6.079
  133    H    LYS  16           H        LYS  16  -7.438   1.985   1.542
  134    HA   LYS  16           HA       LYS  16 -10.038   3.345   1.881
  135   1HB   LYS  16          2HB       LYS  16  -8.279   2.594  -0.562
  136   2HB   LYS  16          1HB       LYS  16  -9.801   3.440  -0.787
  137   1HG   LYS  16          1HG       LYS  16  -8.612   5.056   1.201
  138   2HG   LYS  16          2HG       LYS  16  -7.174   4.427   0.400
  139   1HD   LYS  16          1HD       LYS  16  -9.469   5.710  -1.198
  140   2HD   LYS  16          2HD       LYS  16  -8.287   6.721  -0.344
  141   1HE   LYS  16          1HE       LYS  16  -6.418   5.250  -1.515
  142   2HE   LYS  16          2HE       LYS  16  -7.700   4.660  -2.584
  143   1HZ   LYS  16          3HZ       LYS  16  -7.285   7.562  -2.127
  144   2HZ   LYS  16          1HZ       LYS  16  -6.458   6.710  -3.318
  145   3HZ   LYS  16          2HZ       LYS  16  -8.136   6.808  -3.366
  146    H    GLU  17           H        GLU  17  -8.999   0.284   0.581
  147    HA   GLU  17           HA       GLU  17 -11.686  -0.415  -0.517
  148   1HB   GLU  17          1HB       GLU  17  -8.973  -1.665  -0.225
  149   2HB   GLU  17          2HB       GLU  17 -10.260  -2.829  -0.025
  150   1HG   GLU  17          1HG       GLU  17 -10.274  -3.047  -2.316
  151   2HG   GLU  17          2HG       GLU  17 -11.061  -1.492  -2.405
  152    H    LYS  18           H        LYS  18 -10.147  -0.544   2.564
  153    HA   LYS  18           HA       LYS  18 -11.946  -2.650   3.668
  154   1HB   LYS  18          2HB       LYS  18  -9.921  -0.648   4.824
  155   2HB   LYS  18          1HB       LYS  18 -11.038  -1.435   5.929
  156   1HG   LYS  18          1HG       LYS  18  -9.492  -3.210   3.960
  157   2HG   LYS  18          2HG       LYS  18  -8.629  -2.532   5.339
  158   1HD   LYS  18          1HD       LYS  18 -11.284  -3.890   5.908
  159   2HD   LYS  18          2HD       LYS  18  -9.984  -4.936   5.304
  160   1HE   LYS  18          1HE       LYS  18  -8.736  -4.758   7.259
  161   2HE   LYS  18          2HE       LYS  18  -8.974  -3.008   7.375
  162   1HZ   LYS  18          3HZ       LYS  18 -11.384  -3.643   7.992
  163   2HZ   LYS  18          1HZ       LYS  18 -10.747  -5.162   8.329
  164   3HZ   LYS  18          2HZ       LYS  18 -10.170  -3.809   9.144
  165    H    LEU  19           H        LEU  19 -11.910   0.835   3.464
  166    HA   LEU  19           HA       LEU  19 -14.125   1.324   5.301
  167   1HB   LEU  19          1HB       LEU  19 -13.235   2.856   2.769
  168   2HB   LEU  19          2HB       LEU  19 -14.501   3.439   3.831
  169    HG   LEU  19           HG       LEU  19 -11.556   3.020   4.621
  170   1HD1  LEU  19          3HD2      LEU  19 -12.050   5.031   3.086
  171   2HD1  LEU  19          1HD2      LEU  19 -13.111   5.682   4.339
  172   3HD1  LEU  19          2HD2      LEU  19 -11.368   5.481   4.668
  173   1HD2  LEU  19          2HD1      LEU  19 -13.186   2.623   6.535
  174   2HD2  LEU  19          3HD1      LEU  19 -12.162   4.055   6.807
  175   3HD2  LEU  19          1HD1      LEU  19 -13.853   4.247   6.286
   
  Start of MODEL           3
 Raw file had  175 H/Q atoms
  Start of MODEL    3
    1   1H    SER   1          3H        SER   1  13.696  -4.719  -5.112
    2   2H    SER   1          1H        SER   1  15.281  -4.653  -5.671
    3   3H    SER   1          2H        SER   1  14.826  -3.755  -4.324
    4    HA   SER   1           HA       SER   1  14.929  -2.202  -5.971
    5   1HB   SER   1          1HB       SER   1  13.455  -2.787  -8.163
    6   2HB   SER   1          2HB       SER   1  15.149  -3.240  -8.064
    7    HG   SER   1           HG       SER   1  12.954  -4.800  -8.251
    8    H    ALA   2           H        ALA   2  13.864  -1.197  -4.431
    9    HA   ALA   2           HA       ALA   2  11.836  -0.242  -3.357
   10   1HB   ALA   2          2HB       ALA   2  11.864   0.874  -5.627
   11   2HB   ALA   2          3HB       ALA   2  10.922  -0.468  -6.319
   12   3HB   ALA   2          1HB       ALA   2  10.195   0.599  -5.094
   13    H    LYS   3           H        LYS   3  11.644  -2.107  -2.131
   14    HA   LYS   3           HA       LYS   3   9.470  -4.020  -3.023
   15   1HB   LYS   3          1HB       LYS   3  11.691  -4.696  -1.791
   16   2HB   LYS   3          2HB       LYS   3  11.014  -3.973  -0.339
   17   1HG   LYS   3          2HG       LYS   3   8.960  -5.575  -0.639
   18   2HG   LYS   3          1HG       LYS   3   9.862  -6.381  -1.922
   19   1HD   LYS   3          1HD       LYS   3  11.793  -6.578  -0.070
   20   2HD   LYS   3          2HD       LYS   3  10.416  -6.435   1.041
   21   1HE   LYS   3          1HE       LYS   3   9.374  -8.435   0.286
   22   2HE   LYS   3          2HE       LYS   3  10.046  -8.317  -1.348
   23   1HZ   LYS   3          1HZ       LYS   3  11.804  -8.759   0.997
   24   2HZ   LYS   3          2HZ       LYS   3  11.046 -10.030   0.197
   25   3HZ   LYS   3          3HZ       LYS   3  12.128  -9.042  -0.629
   26    H    MET   4           H        MET   4  10.095  -1.538  -0.635
   27    HA   MET   4           HA       MET   4   7.288  -1.864   0.460
   28   1HB   MET   4          2HB       MET   4   9.394   0.252   1.257
   29   2HB   MET   4          1HB       MET   4   8.004  -0.259   2.202
   30   1HG   MET   4          1HG       MET   4   9.091  -2.531   2.572
   31   2HG   MET   4          2HG       MET   4  10.441  -2.045   1.529
   32   1HE   MET   4          2HE       MET   4   8.157  -0.731   4.295
   33   2HE   MET   4          1HE       MET   4   9.220   0.173   5.417
   34   3HE   MET   4          3HE       MET   4   8.812   0.864   3.816
   35    NH1  ARG   5           NH2      ARG   5  12.818   4.451  -1.768
   36    NH2  ARG   5           NH1      ARG   5  13.129   2.557  -0.653
   37    H    ARG   5           H        ARG   5   8.798  -0.101  -1.983
   38    HA   ARG   5           HA       ARG   5   6.984   2.255  -1.763
   39   1HB   ARG   5          1HB       ARG   5   9.063   1.225  -3.760
   40   2HB   ARG   5          2HB       ARG   5   7.898   2.392  -4.357
   41   1HG   ARG   5          1HG       ARG   5   8.834   4.170  -3.077
   42   2HG   ARG   5          2HG       ARG   5   9.238   3.122  -1.720
   43   1HD   ARG   5          1HD       ARG   5  10.793   2.524  -4.236
   44   2HD   ARG   5          2HD       ARG   5  11.059   4.157  -3.572
   45    HE   ARG   5           HE       ARG   5  11.387   1.575  -1.983
   46   1HH1  ARG   5          2HH2      ARG   5  12.267   4.891  -2.505
   47   2HH1  ARG   5          1HH2      ARG   5  13.560   4.838  -1.189
   48   1HH2  ARG   5          1HH1      ARG   5  12.801   1.593  -0.574
   49   2HH2  ARG   5          2HH1      ARG   5  13.854   3.049  -0.134
   50    H    GLU   6           H        GLU   6   7.183  -0.581  -3.870
   51    HA   GLU   6           HA       GLU   6   4.673   0.036  -5.302
   52   1HB   GLU   6          1HB       GLU   6   5.201  -2.873  -4.960
   53   2HB   GLU   6          2HB       GLU   6   5.069  -1.934  -6.429
   54   1HG   GLU   6          1HG       GLU   6   7.443  -1.450  -6.497
   55   2HG   GLU   6          2HG       GLU   6   7.678  -1.759  -4.796
   56    CH2  TRP   7           CH2      TRP   7   2.773  -1.046   4.546
   57    H    TRP   7           H        TRP   7   5.488  -1.636  -2.352
   58    HA   TRP   7           HA       TRP   7   2.701  -2.549  -1.778
   59   1HB   TRP   7          1HB       TRP   7   4.705  -3.664  -0.748
   60   2HB   TRP   7          2HB       TRP   7   5.243  -2.162  -0.031
   61    HD1  TRP   7           HD1      TRP   7   2.949  -5.119   0.656
   62    HE1  TRP   7           HE1      TRP   7   1.930  -4.994   3.108
   63    HE3  TRP   7           HE3      TRP   7   4.344  -0.313   1.599
   64    HZ2  TRP   7           HZ2      TRP   7   1.840  -2.926   5.062
   65    HZ3  TRP   7           HZ3      TRP   7   3.764   0.705   3.781
   66    HH2  TRP   7           HH2      TRP   7   2.537  -0.582   5.492
   67    H    PHE   8           H        PHE   8   4.539   0.355  -1.282
   68    HA   PHE   8           HA       PHE   8   2.856   1.591   0.747
   69   1HB   PHE   8          1HB       PHE   8   5.130   2.425  -0.482
   70   2HB   PHE   8          2HB       PHE   8   4.051   3.164  -1.633
   71    HD1  PHE   8           HD2      PHE   8   2.136   3.480   1.245
   72    HD2  PHE   8           HD1      PHE   8   5.831   4.948  -0.384
   73    HE1  PHE   8           HE2      PHE   8   1.955   5.504   2.640
   74    HE2  PHE   8           HE1      PHE   8   5.635   6.974   0.997
   75    HZ   PHE   8           HZ       PHE   8   3.715   7.244   2.537
   76    H    SER   9           H        SER   9   2.612   1.510  -2.762
   77    HA   SER   9           HA       SER   9   0.182   3.230  -2.803
   78   1HB   SER   9          1HB       SER   9   1.732   2.920  -4.807
   79   2HB   SER   9          2HB       SER   9   1.186   1.260  -4.981
   80    HG   SER   9           HG       SER   9  -0.378   2.066  -6.114
   81    H    GLU  10           H        GLU  10   0.801  -0.228  -2.956
   82    HA   GLU  10           HA       GLU  10  -2.116  -0.853  -2.767
   83   1HB   GLU  10          1HB       GLU  10   0.392  -2.618  -2.405
   84   2HB   GLU  10          2HB       GLU  10  -1.230  -3.239  -2.594
   85   1HG   GLU  10          2HG       GLU  10  -0.685  -1.458  -4.903
   86   2HG   GLU  10          1HG       GLU  10   0.738  -2.431  -4.666
   87    H    THR  11           H        THR  11  -0.439   0.616  -0.561
   88    HA   THR  11           HA       THR  11  -1.618  -1.080   1.691
   89    HB   THR  11           HB       THR  11   0.712   0.915   1.601
   90    HG1  THR  11           HG1      THR  11   1.703  -0.784   2.699
   91   1HG2  THR  11          3HG2      THR  11  -0.621  -0.054   4.232
   92   2HG2  THR  11          1HG2      THR  11   0.937   0.800   4.115
   93   3HG2  THR  11          2HG2      THR  11  -0.552   1.636   3.679
   94    H    PHE  12           H        PHE  12  -1.377   2.112   0.269
   95    HA   PHE  12           HA       PHE  12  -3.215   3.377   2.257
   96   1HB   PHE  12          1HB       PHE  12  -1.457   4.539   0.616
   97   2HB   PHE  12          2HB       PHE  12  -2.652   4.336  -0.633
   98    HD1  PHE  12           HD1      PHE  12  -5.147   4.916   1.228
   99    HD2  PHE  12           HD2      PHE  12  -1.438   6.971   0.531
  100    HE1  PHE  12           HE1      PHE  12  -6.198   7.042   1.891
  101    HE2  PHE  12           HE2      PHE  12  -2.504   9.099   1.170
  102    HZ   PHE  12           HZ       PHE  12  -4.885   9.140   1.852
  103    H    GLN  13           H        GLN  13  -3.450   1.985  -0.964
  104    HA   GLN  13           HA       GLN  13  -6.396   2.489  -1.114
  105   1HB   GLN  13          1HB       GLN  13  -4.836   0.407  -2.763
  106   2HB   GLN  13          2HB       GLN  13  -6.272   1.311  -3.239
  107   1HG   GLN  13          1HG       GLN  13  -4.307   3.364  -2.807
  108   2HG   GLN  13          2HG       GLN  13  -3.372   2.061  -3.498
  109   1HE2  GLN  13          2HE2      GLN  13  -4.410   3.069  -6.730
  110   2HE2  GLN  13          1HE2      GLN  13  -3.237   2.131  -5.650
  111    H    LYS  14           H        LYS  14  -4.371   0.125   0.303
  112    HA   LYS  14           HA       LYS  14  -6.489  -1.949   0.469
  113   1HB   LYS  14          1HB       LYS  14  -3.771  -1.972   0.942
  114   2HB   LYS  14          2HB       LYS  14  -4.306  -1.732   2.599
  115   1HG   LYS  14          1HG       LYS  14  -6.014  -3.825   1.794
  116   2HG   LYS  14          2HG       LYS  14  -4.595  -4.157   0.804
  117   1HD   LYS  14          1HD       LYS  14  -4.237  -5.420   2.779
  118   2HD   LYS  14          2HD       LYS  14  -3.263  -3.971   3.095
  119   1HE   LYS  14          1HE       LYS  14  -5.426  -2.935   4.209
  120   2HE   LYS  14          2HE       LYS  14  -6.106  -4.569   4.181
  121   1HZ   LYS  14          2HZ       LYS  14  -3.946  -5.283   5.280
  122   2HZ   LYS  14          3HZ       LYS  14  -3.658  -3.652   5.572
  123   3HZ   LYS  14          1HZ       LYS  14  -5.025  -4.393   6.215
  124    H    VAL  15           H        VAL  15  -5.757   0.968   2.135
  125    HA   VAL  15           HA       VAL  15  -7.537   0.250   4.469
  126    HB   VAL  15           HB       VAL  15  -6.020   2.816   3.646
  127   1HG1  VAL  15          1HG2      VAL  15  -7.629   2.502   6.278
  128   2HG1  VAL  15          2HG2      VAL  15  -6.512   3.836   5.894
  129   3HG1  VAL  15          3HG2      VAL  15  -7.985   3.644   4.961
  130   1HG2  VAL  15          2HG1      VAL  15  -4.544   0.986   4.593
  131   2HG2  VAL  15          3HG1      VAL  15  -4.562   2.424   5.619
  132   3HG2  VAL  15          1HG1      VAL  15  -5.502   0.985   6.093
  133    H    LYS  16           H        LYS  16  -7.603   2.060   1.491
  134    HA   LYS  16           HA       LYS  16 -10.252   3.306   2.106
  135   1HB   LYS  16          1HB       LYS  16  -9.136   2.904  -0.736
  136   2HB   LYS  16          2HB       LYS  16 -10.151   4.212  -0.144
  137   1HG   LYS  16          1HG       LYS  16  -7.929   4.604   1.488
  138   2HG   LYS  16          2HG       LYS  16  -7.139   3.824   0.119
  139   1HD   LYS  16          2HD       LYS  16  -8.918   6.352   0.019
  140   2HD   LYS  16          1HD       LYS  16  -7.144   6.347   0.037
  141   1HE   LYS  16          1HE       LYS  16  -7.023   5.261  -2.164
  142   2HE   LYS  16          2HE       LYS  16  -8.711   4.728  -2.098
  143   1HZ   LYS  16          2HZ       LYS  16  -8.196   7.610  -1.896
  144   2HZ   LYS  16          3HZ       LYS  16  -8.014   6.872  -3.397
  145   3HZ   LYS  16          1HZ       LYS  16  -9.488   6.789  -2.592
  146    H    GLU  17           H        GLU  17  -9.065   0.394   0.653
  147    HA   GLU  17           HA       GLU  17 -11.674  -0.396  -0.542
  148   1HB   GLU  17          1HB       GLU  17  -8.933  -1.569  -0.114
  149   2HB   GLU  17          2HB       GLU  17 -10.203  -2.766  -0.047
  150   1HG   GLU  17          1HG       GLU  17 -10.646  -2.648  -2.355
  151   2HG   GLU  17          2HG       GLU  17 -10.386  -0.925  -2.454
  152    H    LYS  18           H        LYS  18 -10.184  -0.609   2.577
  153    HA   LYS  18           HA       LYS  18 -12.033  -2.751   3.551
  154   1HB   LYS  18          1HB       LYS  18  -9.917  -0.918   4.807
  155   2HB   LYS  18          2HB       LYS  18 -11.073  -1.692   5.881
  156   1HG   LYS  18          1HG       LYS  18  -9.826  -3.573   3.856
  157   2HG   LYS  18          2HG       LYS  18  -8.667  -2.833   4.957
  158   1HD   LYS  18          1HD       LYS  18 -11.148  -3.939   6.266
  159   2HD   LYS  18          2HD       LYS  18 -10.181  -5.146   5.396
  160   1HE   LYS  18          1HE       LYS  18  -8.849  -5.204   7.303
  161   2HE   LYS  18          2HE       LYS  18  -8.137  -3.706   6.684
  162   1HZ   LYS  18          2HZ       LYS  18 -10.641  -3.297   8.064
  163   2HZ   LYS  18          3HZ       LYS  18  -9.427  -3.940   9.034
  164   3HZ   LYS  18          1HZ       LYS  18  -9.172  -2.492   8.218
  165    H    LEU  19           H        LEU  19 -11.765   0.749   3.836
  166    HA   LEU  19           HA       LEU  19 -14.250   0.927   5.467
  167   1HB   LEU  19          1HB       LEU  19 -12.733   3.109   3.883
  168   2HB   LEU  19          2HB       LEU  19 -14.052   3.429   4.992
  169    HG   LEU  19           HG       LEU  19 -11.557   1.991   6.013
  170   1HD1  LEU  19          3HD2      LEU  19 -10.815   4.124   4.769
  171   2HD1  LEU  19          1HD2      LEU  19 -11.810   5.074   5.877
  172   3HD1  LEU  19          2HD2      LEU  19 -10.432   4.132   6.509
  173   1HD2  LEU  19          2HD1      LEU  19 -13.635   2.189   7.469
  174   2HD2  LEU  19          3HD1      LEU  19 -12.234   3.030   8.176
  175   3HD2  LEU  19          1HD1      LEU  19 -13.522   3.956   7.368
   
  Start of MODEL           4
 Raw file had  175 H/Q atoms
  Start of MODEL    4
    1   1H    SER   1          3H        SER   1  12.504  -4.491  -6.031
    2   2H    SER   1          1H        SER   1  12.627  -4.640  -7.702
    3   3H    SER   1          2H        SER   1  14.017  -4.594  -6.758
    4    HA   SER   1           HA       SER   1  13.966  -2.409  -6.413
    5   1HB   SER   1          1HB       SER   1  13.682  -3.204  -9.050
    6   2HB   SER   1          2HB       SER   1  12.292  -2.138  -8.938
    7    HG   SER   1           HG       SER   1  14.655  -1.150  -7.820
    8    H    ALA   2           H        ALA   2  13.065  -1.442  -4.907
    9    HA   ALA   2           HA       ALA   2  11.283  -0.122  -3.786
   10   1HB   ALA   2          3HB       ALA   2   9.893  -0.451  -6.543
   11   2HB   ALA   2          1HB       ALA   2   9.395   0.683  -5.264
   12   3HB   ALA   2          2HB       ALA   2  10.959   0.895  -6.075
   13    H    LYS   3           H        LYS   3  11.408  -2.173  -2.639
   14    HA   LYS   3           HA       LYS   3   9.034  -3.987  -3.021
   15   1HB   LYS   3          1HB       LYS   3  11.376  -4.743  -2.184
   16   2HB   LYS   3          2HB       LYS   3  11.072  -3.874  -0.687
   17   1HG   LYS   3          2HG       LYS   3   8.801  -5.375  -0.644
   18   2HG   LYS   3          1HG       LYS   3   9.699  -6.414  -1.749
   19   1HD   LYS   3          1HD       LYS   3  11.641  -6.314   0.044
   20   2HD   LYS   3          2HD       LYS   3  10.343  -5.827   1.152
   21   1HE   LYS   3          1HE       LYS   3   9.211  -7.891   1.011
   22   2HE   LYS   3          2HE       LYS   3   9.653  -8.161  -0.682
   23   1HZ   LYS   3          1HZ       LYS   3  11.857  -8.128   1.238
   24   2HZ   LYS   3          2HZ       LYS   3  10.808  -9.441   1.303
   25   3HZ   LYS   3          3HZ       LYS   3  11.620  -9.084  -0.126
   26    H    MET   4           H        MET   4  10.136  -1.489  -0.817
   27    HA   MET   4           HA       MET   4   7.509  -1.682   0.699
   28   1HB   MET   4          2HB       MET   4   9.946   0.174   1.160
   29   2HB   MET   4          1HB       MET   4   8.580   0.009   2.253
   30   1HG   MET   4          2HG       MET   4   9.291  -2.570   2.359
   31   2HG   MET   4          1HG       MET   4  10.841  -2.009   1.700
   32   1HE   MET   4          1HE       MET   4  10.235  -3.526   4.142
   33   2HE   MET   4          3HE       MET   4  11.899  -2.957   4.483
   34   3HE   MET   4          2HE       MET   4  10.608  -2.725   5.700
   35    NH1  ARG   5           NH2      ARG   5  13.194   4.341  -1.333
   36    NH2  ARG   5           NH1      ARG   5  13.452   2.279  -0.555
   37    H    ARG   5           H        ARG   5   9.006   0.169  -1.772
   38    HA   ARG   5           HA       ARG   5   7.143   2.475  -1.425
   39   1HB   ARG   5          1HB       ARG   5   9.204   1.606  -3.537
   40   2HB   ARG   5          2HB       ARG   5   8.070   2.881  -3.943
   41   1HG   ARG   5          1HG       ARG   5   9.097   4.440  -2.452
   42   2HG   ARG   5          2HG       ARG   5   9.527   3.199  -1.280
   43   1HD   ARG   5          1HD       ARG   5  10.943   2.958  -3.942
   44   2HD   ARG   5          2HD       ARG   5  11.309   4.440  -3.022
   45    HE   ARG   5           HE       ARG   5  11.572   1.617  -1.896
   46   1HH1  ARG   5          2HH2      ARG   5  12.629   4.923  -1.952
   47   2HH1  ARG   5          1HH2      ARG   5  13.993   4.591  -0.753
   48   1HH2  ARG   5          1HH1      ARG   5  13.069   1.333  -0.606
   49   2HH2  ARG   5          2HH1      ARG   5  14.237   2.641  -0.018
   50    H    GLU   6           H        GLU   6   7.427  -0.261  -3.644
   51    HA   GLU   6           HA       GLU   6   4.929   0.364  -5.101
   52   1HB   GLU   6          1HB       GLU   6   5.339  -1.628  -6.252
   53   2HB   GLU   6          2HB       GLU   6   6.947  -1.292  -5.654
   54   1HG   GLU   6          1HG       GLU   6   6.642  -2.986  -3.792
   55   2HG   GLU   6          2HG       GLU   6   4.989  -3.271  -4.273
   56    CH2  TRP   7           CH2      TRP   7   2.761  -1.229   4.625
   57    H    TRP   7           H        TRP   7   5.733  -1.411  -2.208
   58    HA   TRP   7           HA       TRP   7   2.950  -2.395  -1.735
   59   1HB   TRP   7          1HB       TRP   7   4.963  -3.517  -0.719
   60   2HB   TRP   7          2HB       TRP   7   5.437  -2.044   0.096
   61    HD1  TRP   7           HD1      TRP   7   3.169  -5.078   0.529
   62    HE1  TRP   7           HE1      TRP   7   2.045  -5.103   2.939
   63    HE3  TRP   7           HE3      TRP   7   4.462  -0.321   1.802
   64    HZ2  TRP   7           HZ2      TRP   7   1.840  -3.148   4.997
   65    HZ3  TRP   7           HZ3      TRP   7   3.760   0.573   4.003
   66    HH2  TRP   7           HH2      TRP   7   2.467  -0.816   5.578
   67    H    PHE   8           H        PHE   8   4.754   0.497  -1.021
   68    HA   PHE   8           HA       PHE   8   2.974   1.618   0.988
   69   1HB   PHE   8          1HB       PHE   8   5.281   2.547  -0.044
   70   2HB   PHE   8          2HB       PHE   8   4.285   3.286  -1.266
   71    HD1  PHE   8           HD2      PHE   8   1.926   3.925   0.910
   72    HD2  PHE   8           HD1      PHE   8   6.155   4.661   0.721
   73    HE1  PHE   8           HE2      PHE   8   1.661   5.884   2.387
   74    HE2  PHE   8           HE1      PHE   8   5.878   6.633   2.165
   75    HZ   PHE   8           HZ       PHE   8   3.635   7.236   3.022
   76    H    SER   9           H        SER   9   2.881   1.687  -2.528
   77    HA   SER   9           HA       SER   9   0.442   3.381  -2.627
   78   1HB   SER   9          1HB       SER   9   2.085   3.139  -4.563
   79   2HB   SER   9          2HB       SER   9   1.570   1.479  -4.804
   80    HG   SER   9           HG       SER   9   0.541   3.159  -6.127
   81    H    GLU  10           H        GLU  10   1.089  -0.070  -2.875
   82    HA   GLU  10           HA       GLU  10  -1.831  -0.709  -2.825
   83   1HB   GLU  10          1HB       GLU  10   0.669  -2.483  -2.448
   84   2HB   GLU  10          2HB       GLU  10  -0.942  -3.098  -2.728
   85   1HG   GLU  10          2HG       GLU  10  -0.323  -1.213  -4.931
   86   2HG   GLU  10          1HG       GLU  10   1.100  -2.186  -4.688
   87    H    THR  11           H        THR  11  -0.249   0.670  -0.498
   88    HA   THR  11           HA       THR  11  -1.516  -1.117   1.633
   89    HB   THR  11           HB       THR  11   0.821   0.873   1.735
   90    HG1  THR  11           HG1      THR  11   1.780  -0.891   2.761
   91   1HG2  THR  11          3HG2      THR  11  -0.600  -0.261   4.251
   92   2HG2  THR  11          1HG2      THR  11   0.958   0.602   4.243
   93   3HG2  THR  11          2HG2      THR  11  -0.518   1.461   3.806
   94    H    PHE  12           H        PHE  12  -1.212   2.108   0.325
   95    HA   PHE  12           HA       PHE  12  -3.074   3.361   2.290
   96   1HB   PHE  12          1HB       PHE  12  -1.324   4.547   0.678
   97   2HB   PHE  12          2HB       PHE  12  -2.483   4.309  -0.601
   98    HD1  PHE  12           HD2      PHE  12  -4.678   5.582  -0.593
   99    HD2  PHE  12           HD1      PHE  12  -1.687   6.246   2.421
  100    HE1  PHE  12           HE2      PHE  12  -5.713   7.747  -0.031
  101    HE2  PHE  12           HE1      PHE  12  -2.724   8.406   2.974
  102    HZ   PHE  12           HZ       PHE  12  -4.748   9.157   1.762
  103    H    GLN  13           H        GLN  13  -3.285   1.944  -0.918
  104    HA   GLN  13           HA       GLN  13  -6.231   2.405  -1.093
  105   1HB   GLN  13          1HB       GLN  13  -4.605   0.310  -2.666
  106   2HB   GLN  13          2HB       GLN  13  -6.085   1.123  -3.170
  107   1HG   GLN  13          1HG       GLN  13  -4.245   3.294  -2.835
  108   2HG   GLN  13          2HG       GLN  13  -3.222   2.017  -3.447
  109   1HE2  GLN  13          2HE2      GLN  13  -4.344   2.674  -6.753
  110   2HE2  GLN  13          1HE2      GLN  13  -3.185   1.779  -5.621
  111    H    LYS  14           H        LYS  14  -4.170   0.066   0.346
  112    HA   LYS  14           HA       LYS  14  -6.266  -2.010   0.598
  113   1HB   LYS  14          1HB       LYS  14  -3.555  -2.011   1.038
  114   2HB   LYS  14          2HB       LYS  14  -4.053  -1.684   2.692
  115   1HG   LYS  14          1HG       LYS  14  -5.707  -3.892   1.618
  116   2HG   LYS  14          2HG       LYS  14  -4.011  -4.234   1.284
  117   1HD   LYS  14          1HD       LYS  14  -5.080  -5.102   3.502
  118   2HD   LYS  14          2HD       LYS  14  -3.488  -4.329   3.626
  119   1HE   LYS  14          1HE       LYS  14  -4.326  -2.363   4.649
  120   2HE   LYS  14          2HE       LYS  14  -5.892  -2.452   3.828
  121   1HZ   LYS  14          3HZ       LYS  14  -6.291  -4.527   5.205
  122   2HZ   LYS  14          1HZ       LYS  14  -4.967  -4.065   6.133
  123   3HZ   LYS  14          2HZ       LYS  14  -6.308  -3.057   6.021
  124    H    VAL  15           H        VAL  15  -5.565   0.958   2.182
  125    HA   VAL  15           HA       VAL  15  -7.332   0.261   4.543
  126    HB   VAL  15           HB       VAL  15  -5.845   2.854   3.728
  127   1HG1  VAL  15          1HG2      VAL  15  -7.249   2.360   6.449
  128   2HG1  VAL  15          2HG2      VAL  15  -6.191   3.739   6.059
  129   3HG1  VAL  15          3HG2      VAL  15  -7.724   3.562   5.226
  130   1HG2  VAL  15          2HG1      VAL  15  -4.266   1.013   4.463
  131   2HG2  VAL  15          3HG1      VAL  15  -4.238   2.393   5.566
  132   3HG2  VAL  15          1HG1      VAL  15  -5.110   0.908   6.026
  133    H    LYS  16           H        LYS  16  -7.382   2.029   1.542
  134    HA   LYS  16           HA       LYS  16  -9.979   3.386   2.156
  135   1HB   LYS  16          2HB       LYS  16  -9.458   4.571   0.255
  136   2HB   LYS  16          1HB       LYS  16  -7.936   3.687   0.207
  137   1HG   LYS  16          1HG       LYS  16  -8.709   2.112  -1.433
  138   2HG   LYS  16          2HG       LYS  16 -10.404   2.337  -1.008
  139   1HD   LYS  16          1HD       LYS  16  -9.727   3.260  -3.268
  140   2HD   LYS  16          2HD       LYS  16 -10.451   4.490  -2.214
  141   1HE   LYS  16          2HE       LYS  16  -7.759   4.730  -1.454
  142   2HE   LYS  16          1HE       LYS  16  -7.571   4.243  -3.145
  143   1HZ   LYS  16          2HZ       LYS  16  -9.472   6.025  -3.464
  144   2HZ   LYS  16          3HZ       LYS  16  -8.863   6.629  -2.017
  145   3HZ   LYS  16          1HZ       LYS  16  -7.856   6.481  -3.356
  146    H    GLU  17           H        GLU  17  -8.906   0.395   0.765
  147    HA   GLU  17           HA       GLU  17 -11.555  -0.339  -0.366
  148   1HB   GLU  17          1HB       GLU  17  -8.847  -1.458  -0.157
  149   2HB   GLU  17          2HB       GLU  17  -9.969  -2.679   0.394
  150   1HG   GLU  17          1HG       GLU  17 -11.095  -2.800  -1.779
  151   2HG   GLU  17          2HG       GLU  17 -10.436  -1.277  -2.323
  152    H    LYS  18           H        LYS  18 -10.036  -0.513   2.745
  153    HA   LYS  18           HA       LYS  18 -12.000  -2.460   3.849
  154   1HB   LYS  18          1HB       LYS  18  -9.870  -0.585   5.044
  155   2HB   LYS  18          2HB       LYS  18 -11.023  -1.364   6.118
  156   1HG   LYS  18          1HG       LYS  18  -9.336  -2.987   4.085
  157   2HG   LYS  18          2HG       LYS  18  -8.720  -2.570   5.683
  158   1HD   LYS  18          1HD       LYS  18 -11.406  -3.781   5.892
  159   2HD   LYS  18          2HD       LYS  18 -10.373  -4.789   4.860
  160   1HE   LYS  18          1HE       LYS  18  -8.653  -5.032   6.574
  161   2HE   LYS  18          2HE       LYS  18  -9.281  -3.687   7.539
  162   1HZ   LYS  18          2HZ       LYS  18 -11.191  -5.817   7.015
  163   2HZ   LYS  18          3HZ       LYS  18  -9.888  -6.234   7.993
  164   3HZ   LYS  18          1HZ       LYS  18 -10.887  -4.952   8.425
  165    H    LEU  19           H        LEU  19 -11.628   1.030   3.816
  166    HA   LEU  19           HA       LEU  19 -13.963   1.548   5.554
  167   1HB   LEU  19          1HB       LEU  19 -12.638   3.314   3.386
  168   2HB   LEU  19          2HB       LEU  19 -13.891   3.882   4.472
  169    HG   LEU  19           HG       LEU  19 -11.223   2.789   5.526
  170   1HD1  LEU  19          2HD1      LEU  19 -10.743   4.651   3.909
  171   2HD1  LEU  19          3HD1      LEU  19 -11.876   5.721   4.771
  172   3HD1  LEU  19          1HD1      LEU  19 -10.393   5.152   5.574
  173   1HD2  LEU  19          2HD2      LEU  19 -13.333   4.684   6.781
  174   2HD2  LEU  19          3HD2      LEU  19 -12.969   3.013   7.277
  175   3HD2  LEU  19          1HD2      LEU  19 -11.758   4.277   7.517
   
  Start of MODEL           5
 Raw file had  175 H/Q atoms
  Start of MODEL    5
    1   1H    SER   1          3H        SER   1  13.521  -4.665  -5.188
    2   2H    SER   1          1H        SER   1  15.148  -4.322  -5.441
    3   3H    SER   1          2H        SER   1  14.320  -3.586  -4.175
    4    HA   SER   1           HA       SER   1  14.561  -1.987  -5.826
    5   1HB   SER   1          1HB       SER   1  14.857  -3.952  -7.622
    6   2HB   SER   1          2HB       SER   1  13.125  -3.794  -7.862
    7    HG   SER   1           HG       SER   1  14.952  -2.377  -8.988
    8    H    ALA   2           H        ALA   2  13.331  -0.820  -4.691
    9    HA   ALA   2           HA       ALA   2  11.188   0.037  -3.767
   10   1HB   ALA   2          2HB       ALA   2  11.140   0.779  -6.187
   11   2HB   ALA   2          3HB       ALA   2  10.362  -0.751  -6.659
   12   3HB   ALA   2          1HB       ALA   2   9.501   0.409  -5.618
   13    H    LYS   3           H        LYS   3  11.572  -2.112  -2.579
   14    HA   LYS   3           HA       LYS   3   9.346  -4.081  -3.063
   15   1HB   LYS   3          1HB       LYS   3  11.691  -4.672  -2.100
   16   2HB   LYS   3          2HB       LYS   3  11.245  -3.828  -0.624
   17   1HG   LYS   3          2HG       LYS   3   9.083  -5.477  -0.697
   18   2HG   LYS   3          1HG       LYS   3  10.101  -6.452  -1.755
   19   1HD   LYS   3          1HD       LYS   3  10.904  -5.636   1.079
   20   2HD   LYS   3          2HD       LYS   3  10.241  -7.210   0.597
   21   1HE   LYS   3          1HE       LYS   3  12.208  -7.896  -0.493
   22   2HE   LYS   3          2HE       LYS   3  12.583  -6.275  -1.099
   23   1HZ   LYS   3          3HZ       LYS   3  12.688  -6.648   1.803
   24   2HZ   LYS   3          1HZ       LYS   3  13.902  -7.363   0.886
   25   3HZ   LYS   3          2HZ       LYS   3  13.648  -5.703   0.797
   26    H    MET   4           H        MET   4  10.146  -1.458  -0.891
   27    HA   MET   4           HA       MET   4   7.444  -1.782   0.466
   28   1HB   MET   4          2HB       MET   4   9.749   0.209   1.031
   29   2HB   MET   4          1HB       MET   4   8.314   0.026   2.027
   30   1HG   MET   4          2HG       MET   4   9.128  -2.523   2.269
   31   2HG   MET   4          1HG       MET   4  10.700  -1.892   1.739
   32   1HE   MET   4          1HE       MET   4   7.634  -1.155   4.002
   33   2HE   MET   4          3HE       MET   4   8.458  -2.558   4.752
   34   3HE   MET   4          2HE       MET   4   8.388  -0.994   5.619
   35    NH1  ARG   5           NH2      ARG   5  13.035   4.580  -2.811
   36    NH2  ARG   5           NH1      ARG   5  13.514   2.758  -1.639
   37    H    ARG   5           H        ARG   5   8.835  -0.035  -2.084
   38    HA   ARG   5           HA       ARG   5   6.992   2.292  -1.819
   39   1HB   ARG   5          1HB       ARG   5   8.984   1.252  -3.908
   40   2HB   ARG   5          2HB       ARG   5   7.784   2.408  -4.454
   41   1HG   ARG   5          1HG       ARG   5   8.718   4.195  -3.117
   42   2HG   ARG   5          2HG       ARG   5   9.386   3.090  -1.920
   43   1HD   ARG   5          1HD       ARG   5  10.546   2.704  -4.669
   44   2HD   ARG   5          2HD       ARG   5  10.812   4.334  -3.998
   45    HE   ARG   5           HE       ARG   5  11.471   1.789  -2.449
   46   1HH1  ARG   5          2HH2      ARG   5  12.349   4.998  -3.441
   47   2HH1  ARG   5          1HH2      ARG   5  13.906   4.963  -2.450
   48   1HH2  ARG   5          1HH1      ARG   5  13.172   1.824  -1.406
   49   2HH2  ARG   5          2HH1      ARG   5  14.359   3.241  -1.342
   50    H    GLU   6           H        GLU   6   7.168  -0.521  -3.967
   51    HA   GLU   6           HA       GLU   6   4.582   0.030  -5.280
   52   1HB   GLU   6          1HB       GLU   6   4.958  -1.979  -6.394
   53   2HB   GLU   6          2HB       GLU   6   6.587  -1.669  -5.845
   54   1HG   GLU   6          1HG       GLU   6   6.329  -3.319  -3.965
   55   2HG   GLU   6          2HG       GLU   6   4.631  -3.532  -4.311
   56    CH2  TRP   7           CH2      TRP   7   2.913  -1.281   4.588
   57    H    TRP   7           H        TRP   7   5.572  -1.623  -2.374
   58    HA   TRP   7           HA       TRP   7   2.836  -2.620  -1.710
   59   1HB   TRP   7          1HB       TRP   7   4.926  -3.688  -0.787
   60   2HB   TRP   7          2HB       TRP   7   5.419  -2.189  -0.033
   61    HD1  TRP   7           HD1      TRP   7   3.317  -5.277   0.634
   62    HE1  TRP   7           HE1      TRP   7   2.312  -5.254   3.096
   63    HE3  TRP   7           HE3      TRP   7   4.430  -0.415   1.651
   64    HZ2  TRP   7           HZ2      TRP   7   2.110  -3.226   5.083
   65    HZ3  TRP   7           HZ3      TRP   7   3.795   0.537   3.845
   66    HH2  TRP   7           HH2      TRP   7   2.646  -0.843   5.538
   67    H    PHE   8           H        PHE   8   4.614   0.332  -1.225
   68    HA   PHE   8           HA       PHE   8   2.930   1.445   0.881
   69   1HB   PHE   8          1HB       PHE   8   5.170   2.431  -0.251
   70   2HB   PHE   8          2HB       PHE   8   4.107   3.117  -1.446
   71    HD1  PHE   8           HD1      PHE   8   1.861   4.290  -0.121
   72    HD2  PHE   8           HD2      PHE   8   5.912   4.048   1.293
   73    HE1  PHE   8           HE1      PHE   8   1.490   6.277   1.285
   74    HE2  PHE   8           HE2      PHE   8   5.537   6.044   2.689
   75    HZ   PHE   8           HZ       PHE   8   3.326   7.162   2.688
   76    H    SER   9           H        SER   9   2.658   1.515  -2.630
   77    HA   SER   9           HA       SER   9   0.188   3.176  -2.574
   78   1HB   SER   9          2HB       SER   9   1.735   2.976  -4.629
   79   2HB   SER   9          1HB       SER   9   1.188   1.320  -4.830
   80    HG   SER   9           HG       SER   9   0.013   3.554  -5.668
   81    H    GLU  10           H        GLU  10   0.903  -0.253  -2.835
   82    HA   GLU  10           HA       GLU  10  -2.002  -0.961  -2.696
   83   1HB   GLU  10          1HB       GLU  10   0.543  -2.684  -2.382
   84   2HB   GLU  10          2HB       GLU  10  -1.061  -3.327  -2.632
   85   1HG   GLU  10          2HG       GLU  10  -0.521  -1.439  -4.848
   86   2HG   GLU  10          1HG       GLU  10   0.926  -2.382  -4.628
   87    H    THR  11           H        THR  11  -0.353   0.454  -0.428
   88    HA   THR  11           HA       THR  11  -1.513  -1.353   1.750
   89    HB   THR  11           HB       THR  11   0.852   0.591   1.719
   90    HG1  THR  11           HG1      THR  11   1.794  -1.155   2.789
   91   1HG2  THR  11          3HG2      THR  11  -0.507  -0.381   4.335
   92   2HG2  THR  11          1HG2      THR  11   1.076   0.428   4.231
   93   3HG2  THR  11          2HG2      THR  11  -0.388   1.315   3.809
   94    H    PHE  12           H        PHE  12  -1.271   1.887   0.466
   95    HA   PHE  12           HA       PHE  12  -3.099   3.064   2.531
   96   1HB   PHE  12          1HB       PHE  12  -1.286   4.285   0.977
   97   2HB   PHE  12          2HB       PHE  12  -2.478   4.190  -0.289
   98    HD1  PHE  12           HD2      PHE  12  -1.684   5.807   2.976
   99    HD2  PHE  12           HD1      PHE  12  -4.446   5.640  -0.311
  100    HE1  PHE  12           HE2      PHE  12  -2.691   7.935   3.705
  101    HE2  PHE  12           HE1      PHE  12  -5.448   7.763   0.424
  102    HZ   PHE  12           HZ       PHE  12  -4.576   8.917   2.432
  103    H    GLN  13           H        GLN  13  -3.317   1.847  -0.755
  104    HA   GLN  13           HA       GLN  13  -6.249   2.413  -0.908
  105   1HB   GLN  13          1HB       GLN  13  -4.655   0.388  -2.607
  106   2HB   GLN  13          2HB       GLN  13  -6.141   1.223  -3.054
  107   1HG   GLN  13          1HG       GLN  13  -4.116   3.288  -2.528
  108   2HG   GLN  13          2HG       GLN  13  -3.345   2.058  -3.501
  109   1HE2  GLN  13          2HE2      GLN  13  -5.197   3.117  -6.419
  110   2HE2  GLN  13          1HE2      GLN  13  -4.342   1.674  -5.641
  111    H    LYS  14           H        LYS  14  -4.272  -0.061   0.406
  112    HA   LYS  14           HA       LYS  14  -6.442  -2.083   0.500
  113   1HB   LYS  14          1HB       LYS  14  -3.671  -2.082   1.008
  114   2HB   LYS  14          2HB       LYS  14  -4.296  -2.114   2.650
  115   1HG   LYS  14          1HG       LYS  14  -5.193  -4.122   0.457
  116   2HG   LYS  14          2HG       LYS  14  -3.851  -4.426   1.557
  117   1HD   LYS  14          1HD       LYS  14  -6.853  -4.149   2.166
  118   2HD   LYS  14          2HD       LYS  14  -5.813  -5.566   2.413
  119   1HE   LYS  14          1HE       LYS  14  -4.434  -3.619   3.916
  120   2HE   LYS  14          2HE       LYS  14  -6.111  -3.113   4.170
  121   1HZ   LYS  14          1HZ       LYS  14  -6.314  -5.786   4.414
  122   2HZ   LYS  14          2HZ       LYS  14  -4.778  -5.521   5.045
  123   3HZ   LYS  14          3HZ       LYS  14  -6.105  -4.717   5.695
  124    H    VAL  15           H        VAL  15  -5.820   0.803   2.173
  125    HA   VAL  15           HA       VAL  15  -7.556  -0.101   4.521
  126    HB   VAL  15           HB       VAL  15  -5.821   2.398   3.990
  127   1HG1  VAL  15          1HG2      VAL  15  -7.624   2.056   6.490
  128   2HG1  VAL  15          2HG2      VAL  15  -6.374   3.307   6.271
  129   3HG1  VAL  15          3HG2      VAL  15  -7.792   3.310   5.238
  130   1HG2  VAL  15          2HG1      VAL  15  -4.573   0.384   4.893
  131   2HG2  VAL  15          3HG1      VAL  15  -4.538   1.748   6.016
  132   3HG2  VAL  15          1HG1      VAL  15  -5.626   0.371   6.327
  133    H    LYS  16           H        LYS  16  -7.382   1.959   1.732
  134    HA   LYS  16           HA       LYS  16  -9.899   3.426   2.219
  135   1HB   LYS  16          2HB       LYS  16  -8.257   2.714  -0.311
  136   2HB   LYS  16          1HB       LYS  16  -9.745   3.636  -0.442
  137   1HG   LYS  16          1HG       LYS  16  -8.455   5.123   1.560
  138   2HG   LYS  16          2HG       LYS  16  -7.048   4.440   0.749
  139   1HD   LYS  16          2HD       LYS  16  -9.278   5.952  -0.758
  140   2HD   LYS  16          1HD       LYS  16  -7.941   6.798   0.045
  141   1HE   LYS  16          1HE       LYS  16  -6.393   5.021  -1.300
  142   2HE   LYS  16          2HE       LYS  16  -7.820   4.812  -2.328
  143   1HZ   LYS  16          1HZ       LYS  16  -6.731   7.496  -1.671
  144   2HZ   LYS  16          2HZ       LYS  16  -6.235   6.604  -3.008
  145   3HZ   LYS  16          3HZ       LYS  16  -7.839   7.090  -2.870
  146    H    GLU  17           H        GLU  17  -9.033   0.390   0.735
  147    HA   GLU  17           HA       GLU  17 -11.721  -0.195  -0.357
  148   1HB   GLU  17          1HB       GLU  17  -9.087  -1.505  -0.084
  149   2HB   GLU  17          2HB       GLU  17 -10.329  -2.644   0.375
  150   1HG   GLU  17          1HG       GLU  17 -11.265  -2.745  -1.834
  151   2HG   GLU  17          2HG       GLU  17 -10.711  -1.152  -2.284
  152    H    LYS  18           H        LYS  18 -10.227  -0.464   2.759
  153    HA   LYS  18           HA       LYS  18 -12.286  -2.337   3.830
  154   1HB   LYS  18          1HB       LYS  18  -9.958  -0.711   4.957
  155   2HB   LYS  18          2HB       LYS  18 -11.202  -1.194   6.101
  156   1HG   LYS  18          1HG       LYS  18 -10.036  -3.322   4.204
  157   2HG   LYS  18          2HG       LYS  18  -9.063  -2.777   5.568
  158   1HD   LYS  18          1HD       LYS  18 -11.413  -3.339   6.883
  159   2HD   LYS  18          2HD       LYS  18 -11.639  -4.390   5.472
  160   1HE   LYS  18          1HE       LYS  18 -10.423  -5.757   7.098
  161   2HE   LYS  18          2HE       LYS  18  -9.232  -5.319   5.865
  162   1HZ   LYS  18          3HZ       LYS  18  -8.974  -3.233   7.476
  163   2HZ   LYS  18          1HZ       LYS  18  -9.468  -4.373   8.610
  164   3HZ   LYS  18          2HZ       LYS  18  -8.101  -4.657   7.673
  165    H    LEU  19           H        LEU  19 -11.813   1.112   3.666
  166    HA   LEU  19           HA       LEU  19 -13.827   1.962   5.534
  167   1HB   LEU  19          1HB       LEU  19 -13.041   3.152   2.793
  168   2HB   LEU  19          2HB       LEU  19 -14.174   3.950   3.865
  169    HG   LEU  19           HG       LEU  19 -11.213   3.375   4.470
  170   1HD1  LEU  19          2HD1      LEU  19 -11.596   5.187   2.772
  171   2HD1  LEU  19          3HD1      LEU  19 -12.687   6.037   3.894
  172   3HD1  LEU  19          1HD1      LEU  19 -10.960   5.859   4.284
  173   1HD2  LEU  19          2HD2      LEU  19 -13.311   4.841   6.222
  174   2HD2  LEU  19          3HD2      LEU  19 -12.461   3.326   6.616
  175   3HD2  LEU  19          1HD2      LEU  19 -11.551   4.837   6.522
   
   
  No H/Q in entry =         175