*HEADER   APOLIPOPROTEIN                          20-FEB-95   1ALE  
*COMPND   APOLIPOPROTEIN C-I (RESIDUES 7 - 24) (NMR, 5 STRUCTURES)
*SOURCE   HUMAN (HOMO SAPIENS) SYNTHETIC    
*AUTHOR   A.ROZEK,G.W.BUCHKO,R.J.CUSHLEY             
*REVDAT  1   20-APR-95 1ALE    0            



The following are the NMR restraints used for the calculation of the five
deposited structures. 
!BIOSYM restraint 1
!
#remote_prochiral_center
1:LEU_5:HD1*    1:LEU_5:HD2*    1:LEU_5:CD1     1:LEU_5:CD2     1:LEU_5:CG     
!
#NOE_distance
1:ALA_16:HN        1:ARG+_17:HN        2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:ASN_10:HN        1:THR_11:HN         2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:PHE_8:HN         1:GLU-_7:HN         2.000  2.540  2.500 10.00 10.00 100.000  0.00
1:LYS+_6:HN        1:LEU_5:HN          2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:LYS+_4:HN        1:LEU_5:HN          1.800  2.310  2.500 10.00 10.00 100.000  0.00
1:ASP-_3:HN        1:LEU_2:HN          2.000  2.670  2.500 10.00 10.00 100.000  0.00
1:GLY_9:HN         1:PHE_8:HBS         2.000  2.500  3.500 10.00 10.00 100.000  0.00
1:LEU_2:HN         1:ALAN_1:HB*        2.500  4.000  2.500 10.00 10.00 100.000  0.00
1:LEU_2:HN         1:ALAN_1:HA         2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:ASN_10:HN        1:GLY_9:HAR         2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:PHE_8:HN         1:GLU-_7:HB*        2.500  3.500  2.500 10.00 10.00 100.000  0.00
1:ASP-_3:HN        1:LEU_2:HA          2.000  2.640  2.500 10.00 10.00 100.000  0.00
1:GLU-_13:HN       1:LEU_12:HBR        3.500  5.000  4.253 10.00 10.00 100.000  0.00
1:LEU_12:HN        1:THR_11:HB         2.000  2.510  2.500 10.00 10.00 100.000  0.00
1:LEU_12:HN        1:THR_11:HA         2.500  3.540  3.500 10.00 10.00 100.000  0.00
1:ARG+_17:HN       1:ALA_16:HA         2.000  2.700  2.500 10.00 10.00 100.000  0.00
1:ARG+_17:HN       1:ALA_16:HB*        3.500  5.000  2.500 10.00 10.00 100.000  0.00
1:THR_11:HN        1:ASN_10:HBR        2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:THR_11:HN        1:ASN_10:HBS        3.500  5.000  3.500 10.00 10.00 100.000  0.00
1:LEU_5:HN         1:LYS+_4:HBR        2.500  3.500  4.258 10.00 10.00 100.000  0.00
1:GLY_9:HN         1:GLY_9:HAS         2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:GLY_9:HN         1:GLY_9:HAR         2.000  2.930  2.500 10.00 10.00 100.000  0.00
1:LEU_2:HN         1:LEU_2:HA          2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:LEU_2:HN         1:LEU_2:HBR         3.500  5.000  5.253 10.00 10.00 100.000  0.00
1:LEU_2:HN         1:LEU_2:HG          2.000  2.640  2.500 10.00 10.00 100.000  0.00
1:LEU_2:HN         1:LEU_2:HD*         4.000  5.900  3.500 10.00 10.00 100.000  0.00
1:LYS+_4:HN        1:LYS+_4:HA         2.500  3.500  2.500 10.00 10.00 100.000  0.00
1:LYS+_4:HN        1:ASP-_3:HB*        2.500  3.570  2.500 10.00 10.00 100.000  0.00
1:LYS+_4:HN        1:LYS+_4:HBR        2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:LYS+_4:HN        1:LYS+_4:HBS        2.500  3.490  2.500 10.00 10.00 100.000  0.00
1:LYS+_4:HN        1:LYS+_4:HGR        3.000  3.770  3.500 10.00 10.00 100.000  0.00
1:PHE_8:HN         1:PHE_8:HA          2.000  2.950  2.500 10.00 10.00 100.000  0.00
1:ASN_10:HN        1:ASN_10:HA         2.000  3.020  2.500 10.00 10.00 100.000  0.00
1:ASP-_3:HN        1:ASP-_3:HA         2.000  3.040  2.500 10.00 10.00 100.000  0.00
1:PHE_8:HN         1:PHE_8:HBR         2.000  2.540  2.500 10.00 10.00 100.000  0.00
1:PHE_8:HN         1:PHE_8:HBS         2.000  2.560  2.500 10.00 10.00 100.000  0.00
1:ASN_10:HN        1:ASN_10:HBS        2.000  2.530  2.500 10.00 10.00 100.000  0.00
1:ASN_10:HN        1:ASN_10:HBR        2.000  2.560  2.500 10.00 10.00 100.000  0.00
1:GLU-_13:HN       1:ASN_10:HA         2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:LYS+_6:HN        1:LEU_5:HA          2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:LYS+_6:HN        1:LYS+_6:HA         2.000  2.970  2.500 10.00 10.00 100.000  0.00
1:GLU-_13:HN       1:GLU-_13:HB*       2.500  3.500  2.500 10.00 10.00 100.000  0.00
1:LYS+_6:HN        1:LYS+_6:HBR        2.000  2.550  2.500 10.00 10.00 100.000  0.00
1:LYS+_6:HN        1:LYS+_6:HBS        3.000  3.700  2.500 10.00 10.00 100.000  0.00
1:LYS+_6:HN        1:LYS+_6:HD*        2.500  3.600  2.500 10.00 10.00 100.000  0.00
1:LYS+_6:HN        1:LYS+_6:HGR        2.500  3.760  3.500 10.00 10.00 100.000  0.00
1:THR_11:HN        1:THR_11:HA         2.000  3.000  2.500 10.00 10.00 100.000  0.00
1:THR_11:HN        1:THR_11:HB         2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:ASP-_14:HN       1:ASP-_14:HA        2.000  3.000  2.500 10.00 10.00 100.000  0.00
1:THR_11:HN        1:THR_11:HG*        3.500  4.200  3.500 10.00 10.00 100.000  0.00
1:ALA_16:HN        1:ALA_16:HB*        3.000  4.000  2.500 10.00 10.00 100.000  0.00
1:ASP-_14:HN       1:ASP-_14:HBR       2.500  3.560  4.249 10.00 10.00 100.000  0.00
1:ASP-_14:HN       1:GLU-_13:HB*       2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:ALA_16:HN        1:ALA_16:HA         2.000  3.010  2.500 10.00 10.00 100.000  0.00
1:ASP-_3:HN        1:ASP-_3:HB*        2.500  3.500  2.500 10.00 10.00 100.000  0.00
1:GLU-_7:HN        1:GLU-_7:HB*        2.500  3.500  2.500 10.00 10.00 100.000  0.00
1:LEU_12:HN        1:LEU_12:HBR        2.000  2.530  2.500 10.00 10.00 100.000  0.00
1:LEU_12:HN        1:LEU_12:HBS        2.000  2.570  2.500 10.00 10.00 100.000  0.00
1:LYS+_15:HN       1:LYS+_15:HB*       2.300  3.500  2.500 10.00 10.00 100.000  0.00
1:LYS+_15:HN       1:LYS+_15:HG*       2.500  3.500  2.500 10.00 10.00 100.000  0.00
1:ARG+_17:HN       1:ARG+_17:HBS       2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:LYS+_15:HN       1:ASP-_14:HA        2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:LYS+_15:HN       1:LYS+_15:HA        2.000  2.900  2.500 10.00 10.00 100.000  0.00
1:LEU_5:HN         1:LEU_5:HA          2.000  3.020  2.500 10.00 10.00 100.000  0.00
1:LEU_12:HN        1:LEU_12:HD*        4.500  5.900  3.500 10.00 10.00 100.000  0.00
1:PHE_8:HD*        1:PHE_8:HBR         2.000  4.500  2.500 10.00 10.00 100.000  0.00
1:PHE_8:HD*        1:PHE_8:HBS         2.000  4.500  2.500 10.00 10.00 100.000  0.00
1:PHE_8:HD*        1:PHE_8:HA          2.500  4.500  2.500 10.00 10.00 100.000  0.00
1:GLY_9:HAR        1:GLY_9:HAS         0.024  4.276  4.276 10.00 10.00 100.000  0.00
1:GLY_9:HN         1:PHE_8:HBR         3.000  3.700  3.500 10.00 10.00 100.000  0.00
1:GLY_9:HN         1:LYS+_6:HA         2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:ASN_10:HN        1:GLY_9:HAS         2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:PHE_8:HN         1:LYS+_6:HA         3.000  3.790  3.500 10.00 10.00 100.000  0.00
1:LYS+_15:HN       1:LEU_12:HA         2.500  3.520  3.500 10.00 10.00 100.000  0.00
1:LYS+_15:HN       1:ASP-_14:HBR       2.510  3.530  3.500 10.00 10.00 100.000  0.00
1:LYS+_15:HN       1:ASP-_14:HBS       2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:GLU-_13:HN       1:GLU-_13:HGS       3.500  4.210  3.500 10.00 10.00 100.000  0.00
1:GLU-_7:HN        1:GLU-_7:HGS        2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:LYS+_4:HN        1:ASP-_3:HA         2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:LYS+_6:HN        1:ASP-_3:HA         2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:THR_11:HN        1:ASN_10:HA         2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:THR_11:HN        1:PHE_8:HA          2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:GL-C_18:HN       1:GL-C_18:HA        2.000  2.500  2.500 10.00 10.00 100.000  0.00
1:GL-C_18:HN       1:ARG+_17:HA        2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:ARG+_17:HN       1:ARG+_17:HA        2.000  3.000  2.500 10.00 10.00 100.000  0.00
1:GLU-_7:HN        1:LYS+_6:HBR        2.000  2.600  3.500 10.00 10.00 100.000  0.00
1:ARG+_17:HN       1:ARG+_17:HBR       2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:GL-C_18:HN       1:GL-C_18:HBS       2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:LEU_12:HN        1:THR_11:HG*        3.000  3.660  3.500 10.00 10.00 100.000  0.00
1:LEU_5:HN         1:LEU_5:HDR*        3.500  5.000  3.500 10.00 10.00 100.000  0.00
1:LEU_12:HD*       1:LEU_12:HA         3.000  4.900  2.500 10.00 10.00 100.000  0.00
1:LEU_5:HDS*       1:LEU_5:HA          3.000  4.000  2.500 10.00 10.00 100.000  0.00
1:LEU_5:HDR*       1:LEU_5:HA          2.500  4.000  2.500 10.00 10.00 100.000  0.00
1:LEU_2:HD*        1:LEU_2:HA          3.500  4.900  2.500 10.00 10.00 100.000  0.00
1:THR_11:HG*       1:LEU_12:HA         4.000  4.700  3.500 10.00 10.00 100.000  0.00
1:THR_11:HG*       1:THR_11:HA         2.500  3.500  2.500 10.00 10.00 100.000  0.00
1:GLU-_13:HB*      1:ASN_10:HA         2.500  3.500  2.500 10.00 10.00 100.000  0.00
1:LEU_5:HN         1:LEU_5:HDS*        3.500  5.000  3.500 10.00 10.00 100.000  0.00
1:GLU-_13:HN       1:GLU-_13:HGR       2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:GL-C_18:HN       1:GL-C_18:HG1       2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:ARG+_17:HN       1:ASP-_14:HA        2.500  3.600  3.500 10.00 10.00 100.000  0.00
1:ASP-_14:HN       1:ASN_10:HA         2.500  3.600  3.500 10.00 10.00 100.000  0.00
1:LYS+_4:HN        1:LEU_2:HA          2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:GLU-_13:HN       1:LEU_12:HD*        4.500  5.900  3.500 10.00 10.00 100.000  0.00
1:ASP-_3:HN        1:LYS+_6:HD*        3.500  4.570  3.500 10.00 10.00 100.000  0.00
1:ASP-_3:HN        1:LYS+_6:HBR        4.500  5.300  5.258 10.00 10.00 100.000  0.00
1:LYS+_4:HN        1:LYS+_4:HGS        3.000  3.850  3.500 10.00 10.00 100.000  0.00
1:PHE_8:HBR        1:LEU_5:HA          2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:PHE_8:HBS        1:LEU_5:HA          2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:ASN_10:HBS       1:GLU-_7:HA         2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:ASN_10:HBR       1:GLU-_7:HA         2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:ASP-_14:HBS      1:THR_11:HA         2.490  3.500  3.500 10.00 10.00 100.000  0.00
1:ASP-_14:HBR      1:THR_11:HA         2.500  3.640  3.500 10.00 10.00 100.000  0.00
1:GLU-_7:HN        1:LYS+_6:HBS        2.500  3.640  3.500 10.00 10.00 100.000  0.00
1:LEU_12:HG        1:LEU_12:HBR        2.500  3.500  4.253 10.00 10.00 100.000  0.00
1:GLU-_7:HB*       1:GLU-_7:HGR        2.300  3.500  4.245 10.00 10.00 100.000  0.00
1:GLU-_13:HB*      1:GLU-_13:HGR       2.500  3.500  4.245 10.00 10.00 100.000  0.00
1:PHE_8:HBS        1:PHE_8:HBR         0.059  4.241  4.241 10.00 10.00 100.000  0.00
1:THR_11:HA        1:THR_11:HB         2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:PHE_8:HBR        1:PHE_8:HA          2.000  2.570  2.500 10.00 10.00 100.000  0.00
1:PHE_8:HBS        1:PHE_8:HA          2.000  3.100  2.500 10.00 10.00 100.000  0.00
1:ASN_10:HBR       1:ASN_10:HA         2.500  3.500  4.248 10.00 10.00 100.000  0.00
1:GLU-_13:HGS      1:GLU-_13:HA        2.510  3.500  3.500 10.00 10.00 100.000  0.00
1:GLU-_13:HGR      1:GLU-_13:HA        2.000  2.540  3.500 10.00 10.00 100.000  0.00
1:GLU-_13:HB*      1:GLU-_13:HA        2.500  3.500  2.500 10.00 10.00 100.000  0.00
1:LEU_12:HBR       1:LEU_12:HA         2.000  2.600  4.253 10.00 10.00 100.000  0.00
1:LYS+_6:HGR       1:LYS+_6:HA         2.500  3.500  5.262 10.00 10.00 100.000  0.00
1:LYS+_15:HB*      1:LYS+_15:HA        2.000  3.500  2.500 10.00 10.00 100.000  0.00
1:ARG+_17:HBR      1:ARG+_17:HA        2.000  2.800  3.500 10.00 10.00 100.000  0.00
1:LYS+_15:HG*      1:LYS+_15:HA        2.500  3.500  2.500 10.00 10.00 100.000  0.00
1:ALAN_1:HB*       1:ALAN_1:HA         1.800  4.000  2.500 10.00 10.00 100.000  0.00
1:ALA_16:HB*       1:ALA_16:HA         1.800  4.000  2.500 10.00 10.00 100.000  0.00
1:THR_11:HG*       1:THR_11:HB         1.800  2.500  2.500 10.00 10.00 100.000  0.00
1:LEU_2:HBR        1:LEU_2:HA          2.500  3.500  4.253 10.00 10.00 100.000  0.00
1:ASP-_3:HN        1:LEU_5:HN          3.500  5.000  3.500 10.00 10.00 100.000  0.00
1:GLU-_13:HN       1:LYS+_15:HN        3.500  5.000  2.500 10.00 10.00 100.000  0.00
1:LYS+_4:HN        1:ASP-_3:HN         1.800  2.500  2.500 10.00 10.00 100.000  0.00
1:LYS+_6:HN        1:GLU-_7:HN         2.000  2.510  2.500 10.00 10.00 100.000  0.00
1:THR_11:HN        1:LEU_12:HN         2.000  2.510  2.500 10.00 10.00 100.000  0.00
1:ARG+_17:HN       1:GL-C_18:HN        1.800  2.500  2.500 10.00 10.00 100.000  0.00
1:GLY_9:HN         1:PHE_8:HD*         3.500  5.500  3.500 10.00 10.00 100.000  0.00
1:THR_11:HN        1:PHE_8:HD*         3.500  5.500  3.500 10.00 10.00 100.000  0.00
1:LYS+_6:HN        1:LYS+_6:HGS        1.800  2.500  3.500 10.00 10.00 100.000  0.00
1:LEU_2:HG         1:LEU_2:HA          2.000  2.750  2.500 10.00 10.00 100.000  0.00
1:ARG+_17:HG*      1:ARG+_17:HD*       2.000  4.500  2.500 10.00 10.00 100.000  0.00
1:ARG+_17:HBR      1:ARG+_17:HD*       2.500  4.500  5.254 10.00 10.00 100.000  0.00
1:LYS+_6:HBR       1:LYS+_6:HE*        3.500  4.500  4.258 10.00 10.00 100.000  0.00
1:LYS+_6:HGR       1:LYS+_6:HE*        2.000  3.500  3.500 10.00 10.00 100.000  0.00
1:LEU_5:HN         1:LEU_2:HA          3.500  4.500  5.000 10.00 10.00 100.000  0.00
1:LEU_2:HBS        1:ASP-_3:HA         4.000  5.050  5.000 10.00 10.00 100.000  0.00
1:LYS+_4:HN        1:LYS+_6:HN         3.500  5.000  3.500 10.00 10.00 100.000  0.00
1:GLU-_7:HN        1:LEU_5:HN          3.500  5.000  3.500 10.00 10.00 100.000  0.00
1:THR_11:HN        1:GLU-_13:HN        3.500  5.000  3.500 10.00 10.00 100.000  0.00
1:ASP-_3:HN        1:ALAN_1:HB*        3.500  5.060  5.000 10.00 10.00 100.000  0.00
1:LYS+_6:HGS       1:LYS+_6:HE*        2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:GLU-_13:HGR      1:ASN_10:HA         3.500  4.800  6.700 10.00 10.00 100.000  0.00
1:GLU-_13:HGS      1:ASN_10:HA         3.500  4.810  6.700 10.00 10.00 100.000  0.00
1:LYS+_6:HE*       1:ASP-_3:HA         3.500  6.000  6.000 10.00 10.00 100.000  0.00
1:THR_11:HG*       1:PHE_8:HA          3.500  6.500  6.500 10.00 10.00 100.000  0.00
1:PHE_8:HD*        1:LEU_5:HA          3.500  5.000  6.000 10.00 10.00 100.000  0.00
1:ASP-_3:HN        1:LEU_2:HD*         3.500  6.110  6.000 10.00 10.00 100.000  0.00
1:LEU_2:HN         1:LEU_2:HBS         3.500  4.120  3.500 10.00 10.00 100.000  0.00
1:GL-C_18:HN       1:GL-C_18:HBR       3.500  4.500  5.000 10.00 10.00 100.000  0.00
1:GLY_9:HN         1:THR_11:HN         3.500  5.000  5.000 10.00 10.00 100.000  0.00
1:ALA_16:HN        1:GL-C_18:HN        3.500  5.000  3.500 10.00 10.00 100.000  0.00
1:GL-C_18:HN       1:ALA_16:HB*        3.500  6.500  5.000 10.00 10.00 100.000  0.00
1:ARG+_17:HN       1:GLU-_13:HA        3.500  5.000  5.000 10.00 10.00 100.000  0.00
1:LYS+_15:HN       1:THR_11:HA         3.500  5.000  5.000 10.00 10.00 100.000  0.00
1:THR_11:HN        1:GLU-_7:HA         3.500  5.000  5.000 10.00 10.00 100.000  0.00
1:GLU-_13:HN       1:GLY_9:HAS         3.500  5.000  5.000 10.00 10.00 100.000  0.00
1:GLU-_13:HN       1:GLY_9:HAR         3.500  5.000  5.000 10.00 10.00 100.000  0.00
1:LEU_5:HN         1:ASP-_3:HA         3.500  5.000  5.000 10.00 10.00 100.000  0.00
1:ARG+_17:HN       1:LYS+_15:HA        3.500  5.000  5.000 10.00 10.00 100.000  0.00
1:GLU-_13:HN       1:THR_11:HA         3.500  5.000  5.000 10.00 10.00 100.000  0.00
1:THR_11:HN        1:GLY_9:HAS         3.500  5.000  5.000 10.00 10.00 100.000  0.00
1:THR_11:HN        1:GLY_9:HAR         3.500  5.000  5.000 10.00 10.00 100.000  0.00
1:LEU_12:HD*       1:LEU_12:HBR        1.800  4.900  4.900 10.00 10.00 100.000  0.00
1:LEU_2:HD*        1:ALAN_1:HB*        3.500  7.400  3.500 10.00 10.00 100.000  0.00
1:LEU_2:HBR        1:LEU_2:HD*         1.800  4.900  2.500 10.00 10.00 100.000  0.00
1:LYS+_6:HGR       1:LYS+_6:HGS        0.100  4.200  4.200 10.00 10.00 100.000  0.00
1:LYS+_4:HGR       1:LYS+_4:HBR        2.500  3.500  3.500 10.00 10.00 100.000  0.00
1:GL-C_18:HBR      1:GL-C_18:HBS       0.100  4.200  4.200 10.00 10.00 100.000  0.00
1:GLU-_13:HGR      1:GLU-_13:HGS       0.100  4.200  4.200 10.00 10.00 100.000  0.00
1:GLY_9:HAS        1:LEU_12:HBR        2.500  5.030  5.000 10.00 10.00 100.000  0.00
1:LEU_5:HDS*       1:LEU_2:HA          3.500  5.000  3.500 10.00 10.00 100.000  0.00
1:LEU_12:HD*       1:GLY_9:HAR         3.500  5.900  3.500 10.00 10.00 100.000  0.00
1:ARG+_17:HBS      1:ARG+_17:HA        2.500  3.500  5.000 10.00 10.00 100.000  0.00
1:ASP-_14:HBR      1:ASP-_14:HA        1.800  2.720  2.500 10.00 10.00 100.000  0.00
1:PHE_8:HN         1:PHE_8:HD*         3.500  7.000  5.000 10.00 10.00 100.000  0.00
1:GLU-_7:HN        1:GLU-_7:HGR        3.500  5.000  5.000 10.00 10.00 100.000  0.00
1:THR_11:HB        1:GLU-_13:HN        3.500  5.060  5.000 10.00 10.00 100.000  0.00
1:GLY_9:HN         1:GLU-_7:HB*        3.500  6.000  5.000 10.00 10.00 100.000  0.00
1:LYS+_15:HN       1:THR_11:HG*        3.500  6.500  5.000 10.00 10.00 100.000  0.00
1:GLU-_13:HN       1:THR_11:HG*        3.500  6.500  5.000 10.00 10.00 100.000  0.00
1:LYS+_15:HN       1:LEU_12:HD*        3.500  7.400  5.000 10.00 10.00 100.000  0.00
1:LYS+_6:HN        1:LEU_5:HDR*        3.500  6.500  5.000 10.00 10.00 100.000  0.00
1:LYS+_6:HN        1:LEU_5:HDS*        3.500  6.500  5.000 10.00 10.00 100.000  0.00
1:LYS+_6:HN        1:LEU_2:HD*         3.500  7.400  5.000 10.00 10.00 100.000  0.00
1:ARG+_17:HE       1:ARG+_17:HBR       3.500  5.000  5.000 10.00 10.00 100.000  0.00
!
#mixing_times
5.000000E-02 1.000000E-01 1.500000E-01 

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  150 H/Q atoms
  Start of MODEL    1
    1   1H    ALA   1          1H        ALA   1  10.228   6.675  -6.503
    2   2H    ALA   1          2H        ALA   1  11.789   6.592  -7.123
    3   3H    ALA   1          3H        ALA   1  10.918   5.180  -6.846
    4    HA   ALA   1           HA       ALA   1  12.201   5.125  -5.034
    5   1HB   ALA   1          2HB       ALA   1  13.427   7.234  -5.702
    6   2HB   ALA   1          3HB       ALA   1  12.084   8.233  -5.097
    7   3HB   ALA   1          1HB       ALA   1  13.063   7.269  -3.966
    8    H    LEU   2           H        LEU   2  11.952   5.860  -2.696
    9    HA   LEU   2           HA       LEU   2  10.484   5.424  -0.879
   10   1HB   LEU   2          1HB       LEU   2   8.553   7.367  -2.307
   11   2HB   LEU   2          2HB       LEU   2   8.608   7.017  -0.591
   12    HG   LEU   2           HG       LEU   2  11.229   8.038  -1.359
   13   1HD1  LEU   2          3HD2      LEU   2   9.933   9.076  -3.331
   14   2HD1  LEU   2          1HD2      LEU   2   8.940   9.960  -2.168
   15   3HD1  LEU   2          2HD2      LEU   2  10.695  10.274  -2.256
   16   1HD2  LEU   2          2HD1      LEU   2  10.104   8.152   0.923
   17   2HD2  LEU   2          3HD1      LEU   2  10.697   9.742   0.382
   18   3HD2  LEU   2          1HD1      LEU   2   8.963   9.351   0.287
   19    H    ASP   3           H        ASP   3  10.480   3.611  -2.841
   20    HA   ASP   3           HA       ASP   3   7.623   3.025  -3.546
   21   1HB   ASP   3          1HB       ASP   3   9.909   2.517  -4.960
   22   2HB   ASP   3          2HB       ASP   3   9.940   1.051  -4.006
   23    H    LYS   4           H        LYS   4   9.703   2.311  -0.977
   24    HA   LYS   4           HA       LYS   4   8.380  -0.295  -0.286
   25   1HB   LYS   4          1HB       LYS   4  10.516   1.526   0.896
   26   2HB   LYS   4          2HB       LYS   4   9.625   0.555   2.060
   27   1HG   LYS   4          1HG       LYS   4  10.713  -0.865  -0.438
   28   2HG   LYS   4          2HG       LYS   4  11.880  -0.343   0.775
   29   1HD   LYS   4          1HD       LYS   4   9.939  -1.657   2.329
   30   2HD   LYS   4          2HD       LYS   4   9.836  -2.550   0.799
   31   1HE   LYS   4          1HE       LYS   4  12.498  -1.972   2.291
   32   2HE   LYS   4          2HE       LYS   4  11.630  -3.513   2.377
   33   1HZ   LYS   4          1HZ       LYS   4  11.714  -3.372  -0.198
   34   2HZ   LYS   4          2HZ       LYS   4  12.980  -2.297   0.061
   35   3HZ   LYS   4          3HZ       LYS   4  13.074  -3.865   0.659
   36    H    LEU   5           H        LEU   5   8.058   3.088   0.463
   37    HA   LEU   5           HA       LEU   5   6.013   2.513   2.600
   38   1HB   LEU   5          1HB       LEU   5   7.318   5.002   1.415
   39   2HB   LEU   5          2HB       LEU   5   5.733   5.214   2.133
   40    HG   LEU   5           HG       LEU   5   7.239   5.802   3.850
   41   1HD1  LEU   5          2HD1      LEU   5   5.444   4.245   4.665
   42   2HD1  LEU   5          3HD1      LEU   5   6.513   2.844   4.409
   43   3HD1  LEU   5          1HD1      LEU   5   6.921   4.072   5.632
   44   1HD2  LEU   5          2HD2      LEU   5   8.900   3.256   3.238
   45   2HD2  LEU   5          3HD2      LEU   5   9.379   4.943   2.929
   46   3HD2  LEU   5          1HD2      LEU   5   9.208   4.376   4.594
   47    H    LYS   6           H        LYS   6   6.085   3.579  -0.734
   48    HA   LYS   6           HA       LYS   6   3.195   4.238  -0.761
   49   1HB   LYS   6          1HB       LYS   6   5.140   3.611  -3.098
   50   2HB   LYS   6          2HB       LYS   6   3.541   4.317  -3.300
   51   1HG   LYS   6          1HG       LYS   6   4.213   6.432  -2.371
   52   2HG   LYS   6          2HG       LYS   6   5.487   5.717  -1.386
   53   1HD   LYS   6          1HD       LYS   6   6.966   6.394  -2.987
   54   2HD   LYS   6          2HD       LYS   6   6.249   5.229  -4.118
   55   1HE   LYS   6          1HE       LYS   6   4.457   7.583  -3.842
   56   2HE   LYS   6          2HE       LYS   6   6.082   8.122  -4.294
   57   1HZ   LYS   6          3HZ       LYS   6   5.893   6.061  -5.913
   58   2HZ   LYS   6          1HZ       LYS   6   4.249   6.378  -5.759
   59   3HZ   LYS   6          2HZ       LYS   6   5.287   7.576  -6.319
   60    H    GLU   7           H        GLU   7   5.123   1.458  -1.692
   61    HA   GLU   7           HA       GLU   7   2.816  -0.144  -2.637
   62   1HB   GLU   7          1HB       GLU   7   5.691  -0.654  -1.774
   63   2HB   GLU   7          2HB       GLU   7   4.625  -2.037  -1.734
   64   1HG   GLU   7          1HG       GLU   7   5.232  -0.314  -4.242
   65   2HG   GLU   7          2HG       GLU   7   5.939  -1.874  -3.903
   66    H    PHE   8           H        PHE   8   4.029   0.730   0.476
   67    HA   PHE   8           HA       PHE   8   2.837  -1.564   1.922
   68   1HB   PHE   8          1HB       PHE   8   4.707  -0.027   2.814
   69   2HB   PHE   8          2HB       PHE   8   3.562   1.278   2.939
   70    HD1  PHE   8           HD1      PHE   8   1.512   0.978   4.527
   71    HD2  PHE   8           HD2      PHE   8   5.015  -1.506   4.698
   72    HE1  PHE   8           HE1      PHE   8   0.952   0.348   6.837
   73    HE2  PHE   8           HE2      PHE   8   4.463  -2.109   7.023
   74    HZ   PHE   8           HZ       PHE   8   2.437  -1.178   8.101
   75    H    GLY   9           H        GLY   9   1.846   1.747   1.241
   76   1HA   GLY   9          1HA       GLY   9  -0.729   1.578   2.679
   77   2HA   GLY   9          2HA       GLY   9  -0.335   2.767   1.421
   78    H    ASN  10           H        ASN  10   0.341   0.382  -0.395
   79    HA   ASN  10           HA       ASN  10  -2.428   0.011  -1.448
   80   1HB   ASN  10          1HB       ASN  10  -0.257   0.158  -2.855
   81   2HB   ASN  10          2HB       ASN  10   0.232  -1.402  -2.240
   82   1HD2  ASN  10          1HD2      ASN  10  -3.066  -1.855  -4.558
   83   2HD2  ASN  10          2HD2      ASN  10  -3.152  -0.806  -3.039
   84    H    THR  11           H        THR  11  -0.367  -1.710   0.706
   85    HA   THR  11           HA       THR  11  -1.975  -4.232   0.571
   86    HB   THR  11           HB       THR  11   0.225  -3.088   2.344
   87    HG1  THR  11           HG1      THR  11   1.100  -5.118   1.892
   88   1HG2  THR  11          3HG2      THR  11  -1.408  -5.578   3.226
   89   2HG2  THR  11          1HG2      THR  11   0.138  -5.050   3.934
   90   3HG2  THR  11          2HG2      THR  11  -1.298  -4.048   4.130
   91    H    LEU  12           H        LEU  12  -1.697  -1.533   2.839
   92    HA   LEU  12           HA       LEU  12  -3.914  -2.223   4.545
   93   1HB   LEU  12          1HB       LEU  12  -2.341  -0.274   4.928
   94   2HB   LEU  12          2HB       LEU  12  -3.022   0.566   3.551
   95    HG   LEU  12           HG       LEU  12  -4.885  -0.179   5.847
   96   1HD1  LEU  12          3HD2      LEU  12  -2.792   0.901   6.894
   97   2HD1  LEU  12          1HD2      LEU  12  -3.096   2.346   5.925
   98   3HD1  LEU  12          2HD2      LEU  12  -4.289   1.831   7.149
   99   1HD2  LEU  12          2HD1      LEU  12  -5.756   0.876   3.701
  100   2HD2  LEU  12          3HD1      LEU  12  -6.063   1.896   5.128
  101   3HD2  LEU  12          1HD1      LEU  12  -4.742   2.298   4.004
  102    H    GLU  13           H        GLU  13  -3.990  -0.464   1.490
  103    HA   GLU  13           HA       GLU  13  -6.896   0.060   1.617
  104   1HB   GLU  13          1HB       GLU  13  -4.811  -0.045  -0.646
  105   2HB   GLU  13          2HB       GLU  13  -6.497   0.221  -1.018
  106   1HG   GLU  13          1HG       GLU  13  -6.445   2.448  -0.322
  107   2HG   GLU  13          2HG       GLU  13  -5.488   2.115   1.100
  108    H    ASP  14           H        ASP  14  -5.003  -2.248  -0.296
  109    HA   ASP  14           HA       ASP  14  -7.102  -3.923  -1.212
  110   1HB   ASP  14          1HB       ASP  14  -4.185  -4.337  -0.560
  111   2HB   ASP  14          2HB       ASP  14  -5.148  -5.801  -0.468
  112    H    LYS  15           H        LYS  15  -6.048  -3.534   2.050
  113    HA   LYS  15           HA       LYS  15  -7.090  -5.994   3.163
  114   1HB   LYS  15          1HB       LYS  15  -6.428  -3.245   4.166
  115   2HB   LYS  15          2HB       LYS  15  -7.734  -3.980   5.085
  116   1HG   LYS  15          1HG       LYS  15  -5.569  -5.974   4.648
  117   2HG   LYS  15          2HG       LYS  15  -4.889  -4.487   5.306
  118   1HD   LYS  15          1HD       LYS  15  -6.964  -4.770   7.047
  119   2HD   LYS  15          2HD       LYS  15  -6.895  -6.456   6.499
  120   1HE   LYS  15          1HE       LYS  15  -4.224  -5.129   7.176
  121   2HE   LYS  15          2HE       LYS  15  -5.275  -5.535   8.541
  122   1HZ   LYS  15          3HZ       LYS  15  -5.021  -7.591   6.488
  123   2HZ   LYS  15          1HZ       LYS  15  -3.648  -7.280   7.408
  124   3HZ   LYS  15          2HZ       LYS  15  -5.081  -7.730   8.163
  125    H    ALA  16           H        ALA  16  -8.750  -2.876   2.763
  126    HA   ALA  16           HA       ALA  16 -11.345  -4.450   2.573
  127   1HB   ALA  16          2HB       ALA  16 -11.068  -3.844   5.018
  128   2HB   ALA  16          3HB       ALA  16 -10.866  -2.128   4.593
  129   3HB   ALA  16          1HB       ALA  16 -12.426  -2.941   4.321
  130    NH1  ARG  17           NH2      ARG  17 -10.005   0.052  -6.398
  131    NH2  ARG  17           NH1      ARG  17  -8.717   1.831  -6.083
  132    H    ARG  17           H        ARG  17  -9.894  -3.326   0.581
  133    HA   ARG  17           HA       ARG  17 -11.492  -0.851  -0.127
  134   1HB   ARG  17          1HB       ARG  17  -9.090  -0.860  -0.786
  135   2HB   ARG  17          2HB       ARG  17  -9.260  -2.383  -1.639
  136   1HG   ARG  17          1HG       ARG  17 -11.135  -0.883  -3.056
  137   2HG   ARG  17          2HG       ARG  17 -10.102   0.425  -2.488
  138   1HD   ARG  17          1HD       ARG  17  -8.224  -1.500  -3.400
  139   2HD   ARG  17          2HD       ARG  17  -9.577  -1.679  -4.547
  140    HE   ARG  17           HE       ARG  17  -8.060   0.891  -3.973
  141   1HH1  ARG  17          2HH2      ARG  17 -10.304  -0.831  -5.985
  142   2HH1  ARG  17          1HH2      ARG  17 -10.265   0.477  -7.286
  143   1HH2  ARG  17          1HH1      ARG  17  -8.064   2.260  -5.425
  144   2HH2  ARG  17          2HH1      ARG  17  -9.049   2.161  -6.987
  145    H    GLU  18           H        GLU  18 -11.081  -4.194  -1.112
  146    HA   GLU  18           HA       GLU  18 -12.217  -5.424  -2.830
  147   1HB   GLU  18          1HB       GLU  18 -14.899  -5.033  -2.353
  148   2HB   GLU  18          2HB       GLU  18 -13.874  -6.057  -1.377
  149   1HG   GLU  18          2HG       GLU  18 -14.861  -4.847   0.361
  150   2HG   GLU  18          1HG       GLU  18 -13.518  -3.769   0.084
   
  Start of MODEL           2
 Raw file had  150 H/Q atoms
  Start of MODEL    2
    1   1H    ALA   1          3H        ALA   1  10.077   7.414  -6.379
    2   2H    ALA   1          1H        ALA   1  11.597   7.209  -7.069
    3   3H    ALA   1          2H        ALA   1  10.575   5.887  -6.878
    4    HA   ALA   1           HA       ALA   1  11.995   5.568  -5.166
    5   1HB   ALA   1          2HB       ALA   1  13.249   7.724  -5.592
    6   2HB   ALA   1          3HB       ALA   1  11.943   8.661  -4.827
    7   3HB   ALA   1          1HB       ALA   1  12.929   7.541  -3.856
    8    H    LEU   2           H        LEU   2  11.824   6.037  -2.740
    9    HA   LEU   2           HA       LEU   2  10.399   5.409  -0.944
   10   1HB   LEU   2          1HB       LEU   2   8.449   7.508  -2.100
   11   2HB   LEU   2          2HB       LEU   2   8.532   6.961  -0.438
   12    HG   LEU   2           HG       LEU   2  11.146   8.058  -1.157
   13   1HD1  LEU   2          2HD1      LEU   2   9.916   9.285  -2.973
   14   2HD1  LEU   2          3HD1      LEU   2   8.766   9.941  -1.783
   15   3HD1  LEU   2          1HD1      LEU   2  10.483  10.405  -1.721
   16   1HD2  LEU   2          2HD2      LEU   2   8.932   9.082   0.761
   17   2HD2  LEU   2          3HD2      LEU   2  10.303   8.025   1.180
   18   3HD2  LEU   2          1HD2      LEU   2  10.606   9.700   0.706
   19    H    ASP   3           H        ASP   3  10.350   3.810  -3.073
   20    HA   ASP   3           HA       ASP   3   7.462   3.252  -3.701
   21   1HB   ASP   3          1HB       ASP   3  10.027   2.698  -5.002
   22   2HB   ASP   3          2HB       ASP   3   9.320   1.142  -4.632
   23    H    LYS   4           H        LYS   4   9.695   2.320  -1.345
   24    HA   LYS   4           HA       LYS   4   8.358  -0.312  -0.784
   25   1HB   LYS   4          1HB       LYS   4  10.585   1.362   0.409
   26   2HB   LYS   4          2HB       LYS   4   9.681   0.421   1.587
   27   1HG   LYS   4          1HG       LYS   4  10.306  -1.276  -0.772
   28   2HG   LYS   4          2HG       LYS   4  11.776  -0.486  -0.204
   29   1HD   LYS   4          1HD       LYS   4  11.767  -2.470   1.050
   30   2HD   LYS   4          2HD       LYS   4  10.944  -1.391   2.193
   31   1HE   LYS   4          1HE       LYS   4   8.820  -2.357   1.845
   32   2HE   LYS   4          2HE       LYS   4   9.124  -2.717   0.139
   33   1HZ   LYS   4          3HZ       LYS   4  10.772  -4.134   2.103
   34   2HZ   LYS   4          1HZ       LYS   4   9.155  -4.580   1.974
   35   3HZ   LYS   4          2HZ       LYS   4  10.159  -4.655   0.626
   36    H    LEU   5           H        LEU   5   8.124   3.016   0.212
   37    HA   LEU   5           HA       LEU   5   6.114   2.390   2.343
   38   1HB   LEU   5          1HB       LEU   5   7.370   4.878   1.150
   39   2HB   LEU   5          2HB       LEU   5   5.743   5.097   1.764
   40    HG   LEU   5           HG       LEU   5   7.121   5.756   3.554
   41   1HD1  LEU   5          2HD1      LEU   5   5.320   4.173   4.307
   42   2HD1  LEU   5          3HD1      LEU   5   6.436   2.794   4.152
   43   3HD1  LEU   5          1HD1      LEU   5   6.740   4.064   5.362
   44   1HD2  LEU   5          2HD2      LEU   5   8.876   3.238   3.110
   45   2HD2  LEU   5          3HD2      LEU   5   9.331   4.929   2.783
   46   3HD2  LEU   5          1HD2      LEU   5   9.076   4.400   4.450
   47    H    LYS   6           H        LYS   6   6.065   3.376  -1.008
   48    HA   LYS   6           HA       LYS   6   3.157   3.944  -0.997
   49   1HB   LYS   6          1HB       LYS   6   5.060   3.254  -3.351
   50   2HB   LYS   6          2HB       LYS   6   3.440   3.910  -3.543
   51   1HG   LYS   6          1HG       LYS   6   4.085   6.086  -2.749
   52   2HG   LYS   6          2HG       LYS   6   5.391   5.453  -1.750
   53   1HD   LYS   6          1HD       LYS   6   6.814   6.110  -3.412
   54   2HD   LYS   6          2HD       LYS   6   6.144   4.833  -4.446
   55   1HE   LYS   6          1HE       LYS   6   4.466   6.303  -5.426
   56   2HE   LYS   6          2HE       LYS   6   4.644   7.524  -4.156
   57   1HZ   LYS   6          3HZ       LYS   6   7.091   7.597  -4.968
   58   2HZ   LYS   6          1HZ       LYS   6   6.480   6.905  -6.373
   59   3HZ   LYS   6          2HZ       LYS   6   5.895   8.390  -5.844
   60    H    GLU   7           H        GLU   7   5.146   1.178  -1.826
   61    HA   GLU   7           HA       GLU   7   2.911  -0.543  -2.697
   62   1HB   GLU   7          1HB       GLU   7   5.732  -1.021  -1.580
   63   2HB   GLU   7          2HB       GLU   7   4.660  -2.384  -1.789
   64   1HG   GLU   7          1HG       GLU   7   5.288  -0.489  -4.152
   65   2HG   GLU   7          2HG       GLU   7   6.391  -1.773  -3.727
   66    H    PHE   8           H        PHE   8   4.074   0.515   0.386
   67    HA   PHE   8           HA       PHE   8   2.895  -1.732   1.920
   68   1HB   PHE   8          1HB       PHE   8   4.773  -0.163   2.741
   69   2HB   PHE   8          2HB       PHE   8   3.626   1.143   2.836
   70    HD1  PHE   8           HD2      PHE   8   2.246  -2.105   3.868
   71    HD2  PHE   8           HD1      PHE   8   4.491   1.296   5.231
   72    HE1  PHE   8           HE2      PHE   8   1.745  -2.702   6.207
   73    HE2  PHE   8           HE1      PHE   8   3.959   0.713   7.561
   74    HZ   PHE   8           HZ       PHE   8   2.607  -1.300   8.058
   75    H    GLY   9           H        GLY   9   1.903   1.555   1.130
   76   1HA   GLY   9          1HA       GLY   9  -0.647   1.447   2.616
   77   2HA   GLY   9          2HA       GLY   9  -0.268   2.595   1.317
   78    H    ASN  10           H        ASN  10   0.365   0.251  -0.491
   79    HA   ASN  10           HA       ASN  10  -2.419  -0.189  -1.466
   80   1HB   ASN  10          1HB       ASN  10  -0.291  -0.016  -2.931
   81   2HB   ASN  10          2HB       ASN  10   0.250  -1.557  -2.312
   82   1HD2  ASN  10          1HD2      ASN  10  -3.044  -1.881  -4.709
   83   2HD2  ASN  10          2HD2      ASN  10  -3.051  -0.617  -3.363
   84    H    THR  11           H        THR  11  -0.299  -1.850   0.670
   85    HA   THR  11           HA       THR  11  -1.851  -4.407   0.574
   86    HB   THR  11           HB       THR  11   0.345  -3.192   2.299
   87    HG1  THR  11           HG1      THR  11   1.244  -5.222   1.887
   88   1HG2  THR  11          3HG2      THR  11  -1.235  -5.679   3.277
   89   2HG2  THR  11          1HG2      THR  11   0.316  -5.111   3.942
   90   3HG2  THR  11          2HG2      THR  11  -1.132  -4.124   4.135
   91    H    LEU  12           H        LEU  12  -1.615  -1.681   2.811
   92    HA   LEU  12           HA       LEU  12  -3.802  -2.381   4.542
   93   1HB   LEU  12          1HB       LEU  12  -2.285  -0.383   4.869
   94   2HB   LEU  12          2HB       LEU  12  -2.987   0.404   3.470
   95    HG   LEU  12           HG       LEU  12  -5.260   0.370   4.778
   96   1HD1  LEU  12          2HD1      LEU  12  -4.579  -1.309   6.517
   97   2HD1  LEU  12          3HD1      LEU  12  -3.337  -0.195   7.139
   98   3HD1  LEU  12          1HD1      LEU  12  -5.063   0.222   7.270
   99   1HD2  LEU  12          2HD2      LEU  12  -2.907   2.106   5.813
  100   2HD2  LEU  12          3HD2      LEU  12  -4.011   2.494   4.470
  101   3HD2  LEU  12          1HD2      LEU  12  -4.635   2.436   6.122
  102    H    GLU  13           H        GLU  13  -3.967  -0.697   1.446
  103    HA   GLU  13           HA       GLU  13  -6.890  -0.250   1.631
  104   1HB   GLU  13          1HB       GLU  13  -4.861  -0.297  -0.689
  105   2HB   GLU  13          2HB       GLU  13  -6.560  -0.034  -0.995
  106   1HG   GLU  13          1HG       GLU  13  -6.464   2.191  -0.340
  107   2HG   GLU  13          2HG       GLU  13  -5.553   1.849   1.110
  108    H    ASP  14           H        ASP  14  -4.927  -2.510  -0.266
  109    HA   ASP  14           HA       ASP  14  -7.004  -4.250  -1.154
  110   1HB   ASP  14          1HB       ASP  14  -4.058  -4.575  -0.559
  111   2HB   ASP  14          2HB       ASP  14  -4.977  -6.064  -0.461
  112    H    LYS  15           H        LYS  15  -5.919  -3.780   2.077
  113    HA   LYS  15           HA       LYS  15  -6.621  -6.375   3.203
  114   1HB   LYS  15          1HB       LYS  15  -6.136  -5.366   5.223
  115   2HB   LYS  15          2HB       LYS  15  -5.549  -4.047   4.220
  116   1HG   LYS  15          1HG       LYS  15  -7.762  -2.853   4.429
  117   2HG   LYS  15          2HG       LYS  15  -8.456  -4.230   5.282
  118   1HD   LYS  15          1HD       LYS  15  -6.471  -2.108   6.212
  119   2HD   LYS  15          2HD       LYS  15  -7.959  -2.670   6.998
  120   1HE   LYS  15          1HE       LYS  15  -6.562  -5.061   7.011
  121   2HE   LYS  15          2HE       LYS  15  -5.182  -3.952   7.048
  122   1HZ   LYS  15          3HZ       LYS  15  -7.440  -3.367   8.832
  123   2HZ   LYS  15          1HZ       LYS  15  -6.421  -4.646   9.227
  124   3HZ   LYS  15          2HZ       LYS  15  -5.794  -3.096   9.047
  125    H    ALA  16           H        ALA  16  -8.567  -3.474   2.672
  126    HA   ALA  16           HA       ALA  16 -11.034  -5.218   2.738
  127   1HB   ALA  16          2HB       ALA  16 -10.665  -4.644   5.174
  128   2HB   ALA  16          3HB       ALA  16 -10.613  -2.909   4.781
  129   3HB   ALA  16          1HB       ALA  16 -12.122  -3.830   4.575
  130    NH1  ARG  17           NH2      ARG  17 -10.329   2.872  -3.742
  131    NH2  ARG  17           NH1      ARG  17  -9.401   1.232  -4.913
  132    H    ARG  17           H        ARG  17  -9.903  -4.071   0.641
  133    HA   ARG  17           HA       ARG  17 -12.184  -2.313  -0.190
  134   1HB   ARG  17          1HB       ARG  17 -10.180  -0.840   0.851
  135   2HB   ARG  17          2HB       ARG  17  -9.348  -1.189  -0.653
  136   1HG   ARG  17          1HG       ARG  17 -11.711  -0.248  -1.740
  137   2HG   ARG  17          2HG       ARG  17 -11.845   0.524  -0.163
  138   1HD   ARG  17          1HD       ARG  17 -10.663   2.182  -1.327
  139   2HD   ARG  17          2HD       ARG  17  -9.279   1.265  -0.677
  140    HE   ARG  17           HE       ARG  17  -9.305  -0.059  -2.890
  141   1HH1  ARG  17          2HH2      ARG  17 -10.641   3.144  -2.809
  142   2HH1  ARG  17          1HH2      ARG  17 -10.355   3.395  -4.616
  143   1HH2  ARG  17          1HH1      ARG  17  -9.028   0.284  -4.837
  144   2HH2  ARG  17          2HH1      ARG  17  -9.479   1.843  -5.723
  145    H    GLU  18           H        GLU  18 -11.379  -4.879  -0.780
  146    HA   GLU  18           HA       GLU  18 -10.634  -6.290  -2.564
  147   1HB   GLU  18          1HB       GLU  18 -11.628  -4.877  -4.840
  148   2HB   GLU  18          2HB       GLU  18 -12.466  -6.090  -3.902
  149   1HG   GLU  18          2HG       GLU  18 -13.363  -4.163  -2.372
  150   2HG   GLU  18          1HG       GLU  18 -12.634  -3.023  -3.475
   
  Start of MODEL           3
 Raw file had  150 H/Q atoms
  Start of MODEL    3
    1   1H    ALA   1          1H        ALA   1  10.241   7.153  -6.244
    2   2H    ALA   1          2H        ALA   1  11.701   6.845  -7.019
    3   3H    ALA   1          3H        ALA   1  10.586   5.605  -6.805
    4    HA   ALA   1           HA       ALA   1  12.042   5.117  -5.171
    5   1HB   ALA   1          2HB       ALA   1  13.480   7.145  -5.635
    6   2HB   ALA   1          3HB       ALA   1  12.317   8.192  -4.786
    7   3HB   ALA   1          1HB       ALA   1  13.237   6.961  -3.887
    8    H    LEU   2           H        LEU   2  12.055   5.599  -2.720
    9    HA   LEU   2           HA       LEU   2  10.678   5.095  -0.849
   10   1HB   LEU   2          1HB       LEU   2   8.843   7.332  -1.932
   11   2HB   LEU   2          2HB       LEU   2   8.953   6.782  -0.271
   12    HG   LEU   2           HG       LEU   2  11.609   7.681  -1.134
   13   1HD1  LEU   2          3HD2      LEU   2  10.227   9.101  -2.786
   14   2HD1  LEU   2          1HD2      LEU   2   9.425   9.861  -1.407
   15   3HD1  LEU   2          2HD2      LEU   2  11.185  10.061  -1.631
   16   1HD2  LEU   2          2HD1      LEU   2  10.715   7.518   1.244
   17   2HD2  LEU   2          3HD1      LEU   2  11.388   9.127   0.883
   18   3HD2  LEU   2          1HD1      LEU   2   9.626   8.878   0.915
   19    H    ASP   3           H        ASP   3  10.404   3.489  -2.954
   20    HA   ASP   3           HA       ASP   3   7.465   3.178  -3.488
   21   1HB   ASP   3          1HB       ASP   3   9.931   2.380  -4.846
   22   2HB   ASP   3          2HB       ASP   3   9.107   0.895  -4.427
   23    H    LYS   4           H        LYS   4   9.591   2.159  -1.108
   24    HA   LYS   4           HA       LYS   4   8.107  -0.388  -0.514
   25   1HB   LYS   4          1HB       LYS   4  10.400   1.207   0.692
   26   2HB   LYS   4          2HB       LYS   4   9.460   0.267   1.841
   27   1HG   LYS   4          1HG       LYS   4  10.328  -1.170  -0.720
   28   2HG   LYS   4          2HG       LYS   4  11.606  -0.741   0.415
   29   1HD   LYS   4          1HD       LYS   4  10.388  -2.059   2.203
   30   2HD   LYS   4          2HD       LYS   4   9.082  -2.409   1.054
   31   1HE   LYS   4          1HE       LYS   4  12.053  -3.245   0.726
   32   2HE   LYS   4          2HE       LYS   4  10.703  -4.338   1.068
   33   1HZ   LYS   4          2HZ       LYS   4   9.673  -3.423  -1.050
   34   2HZ   LYS   4          3HZ       LYS   4  11.184  -2.774  -1.400
   35   3HZ   LYS   4          1HZ       LYS   4  11.004  -4.436  -1.220
   36    H    LEU   5           H        LEU   5   8.025   2.974   0.392
   37    HA   LEU   5           HA       LEU   5   5.999   2.400   2.558
   38   1HB   LEU   5          1HB       LEU   5   7.564   4.816   1.588
   39   2HB   LEU   5          2HB       LEU   5   5.986   5.167   2.265
   40    HG   LEU   5           HG       LEU   5   7.358   5.446   4.118
   41   1HD1  LEU   5          2HD1      LEU   5   5.537   3.813   4.691
   42   2HD1  LEU   5          3HD1      LEU   5   6.612   2.446   4.307
   43   3HD1  LEU   5          1HD1      LEU   5   6.982   3.521   5.676
   44   1HD2  LEU   5          2HD2      LEU   5   9.034   2.980   3.265
   45   2HD2  LEU   5          3HD2      LEU   5   9.525   4.690   3.171
   46   3HD2  LEU   5          1HD2      LEU   5   9.301   3.933   4.751
   47    H    LYS   6           H        LYS   6   6.088   3.503  -0.734
   48    HA   LYS   6           HA       LYS   6   3.225   4.331  -0.694
   49   1HB   LYS   6          1HB       LYS   6   5.085   3.640  -3.079
   50   2HB   LYS   6          2HB       LYS   6   3.536   4.461  -3.222
   51   1HG   LYS   6          1HG       LYS   6   4.380   6.501  -2.273
   52   2HG   LYS   6          2HG       LYS   6   5.614   5.676  -1.325
   53   1HD   LYS   6          1HD       LYS   6   7.126   6.226  -2.944
   54   2HD   LYS   6          2HD       LYS   6   6.250   5.222  -4.116
   55   1HE   LYS   6          1HE       LYS   6   4.537   7.422  -4.024
   56   2HE   LYS   6          2HE       LYS   6   6.075   8.235  -3.696
   57   1HZ   LYS   6          2HZ       LYS   6   5.844   6.264  -5.896
   58   2HZ   LYS   6          3HZ       LYS   6   5.423   7.879  -6.105
   59   3HZ   LYS   6          1HZ       LYS   6   6.996   7.469  -5.676
   60    H    GLU   7           H        GLU   7   5.018   1.509  -1.831
   61    HA   GLU   7           HA       GLU   7   2.607   0.012  -2.658
   62   1HB   GLU   7          1HB       GLU   7   5.464  -0.758  -1.818
   63   2HB   GLU   7          2HB       GLU   7   4.282  -2.012  -2.100
   64   1HG   GLU   7          1HG       GLU   7   5.652  -0.169  -4.109
   65   2HG   GLU   7          2HG       GLU   7   5.393  -1.893  -4.208
   66    H    PHE   8           H        PHE   8   4.023   0.767   0.389
   67    HA   PHE   8           HA       PHE   8   2.793  -1.418   1.941
   68   1HB   PHE   8          1HB       PHE   8   4.634   0.172   2.785
   69   2HB   PHE   8          2HB       PHE   8   3.491   1.485   2.793
   70    HD1  PHE   8           HD2      PHE   8   1.733  -1.449   3.906
   71    HD2  PHE   8           HD1      PHE   8   4.592   1.482   5.210
   72    HE1  PHE   8           HE2      PHE   8   1.069  -1.832   6.249
   73    HE2  PHE   8           HE1      PHE   8   3.905   1.115   7.543
   74    HZ   PHE   8           HZ       PHE   8   2.164  -0.563   8.073
   75    H    GLY   9           H        GLY   9   1.774   1.843   1.084
   76   1HA   GLY   9          1HA       GLY   9  -0.775   1.736   2.571
   77   2HA   GLY   9          2HA       GLY   9  -0.402   2.874   1.260
   78    H    ASN  10           H        ASN  10   0.236   0.516  -0.529
   79    HA   ASN  10           HA       ASN  10  -2.550   0.072  -1.497
   80   1HB   ASN  10          1HB       ASN  10  -0.424   0.243  -2.966
   81   2HB   ASN  10          2HB       ASN  10   0.117  -1.298  -2.345
   82   1HD2  ASN  10          1HD2      ASN  10  -1.441  -2.187  -5.507
   83   2HD2  ASN  10          2HD2      ASN  10   0.143  -1.568  -4.786
   84    H    THR  11           H        THR  11  -0.442  -1.579   0.656
   85    HA   THR  11           HA       THR  11  -2.004  -4.132   0.557
   86    HB   THR  11           HB       THR  11   0.174  -2.922   2.316
   87    HG1  THR  11           HG1      THR  11   1.087  -4.944   1.898
   88   1HG2  THR  11          3HG2      THR  11  -1.415  -5.428   3.234
   89   2HG2  THR  11          1HG2      THR  11   0.120  -4.862   3.936
   90   3HG2  THR  11          2HG2      THR  11  -1.335  -3.883   4.114
   91    H    LEU  12           H        LEU  12  -1.780  -1.393   2.780
   92    HA   LEU  12           HA       LEU  12  -3.989  -2.058   4.490
   93   1HB   LEU  12          1HB       LEU  12  -2.488  -0.054   4.808
   94   2HB   LEU  12          2HB       LEU  12  -3.154   0.704   3.376
   95    HG   LEU  12           HG       LEU  12  -5.307   0.104   5.313
   96   1HD1  LEU  12          2HD1      LEU  12  -3.453   0.291   6.999
   97   2HD1  LEU  12          3HD1      LEU  12  -2.984   1.877   6.340
   98   3HD1  LEU  12          1HD1      LEU  12  -4.566   1.665   7.126
   99   1HD2  LEU  12          2HD2      LEU  12  -4.231   2.760   4.125
  100   2HD2  LEU  12          3HD2      LEU  12  -5.598   1.794   3.517
  101   3HD2  LEU  12          1HD2      LEU  12  -5.729   2.600   5.083
  102    H    GLU  13           H        GLU  13  -4.118  -0.441   1.359
  103    HA   GLU  13           HA       GLU  13  -7.044   0.033   1.536
  104   1HB   GLU  13          1HB       GLU  13  -5.000   0.009  -0.773
  105   2HB   GLU  13          2HB       GLU  13  -6.696   0.298  -1.077
  106   1HG   GLU  13          1HG       GLU  13  -6.569   2.511  -0.387
  107   2HG   GLU  13          2HG       GLU  13  -5.677   2.128   1.065
  108    H    ASP  14           H        ASP  14  -5.026  -2.263  -0.247
  109    HA   ASP  14           HA       ASP  14  -7.134  -3.967  -1.212
  110   1HB   ASP  14          1HB       ASP  14  -4.191  -4.310  -0.611
  111   2HB   ASP  14          2HB       ASP  14  -5.117  -5.795  -0.520
  112    H    LYS  15           H        LYS  15  -6.057  -3.517   2.023
  113    HA   LYS  15           HA       LYS  15  -6.973  -6.151   3.001
  114   1HB   LYS  15          1HB       LYS  15  -5.941  -5.465   4.939
  115   2HB   LYS  15          2HB       LYS  15  -5.418  -4.051   4.034
  116   1HG   LYS  15          1HG       LYS  15  -7.165  -2.652   4.954
  117   2HG   LYS  15          2HG       LYS  15  -8.199  -4.026   5.338
  118   1HD   LYS  15          1HD       LYS  15  -6.019  -2.689   6.901
  119   2HD   LYS  15          2HD       LYS  15  -7.463  -3.542   7.480
  120   1HE   LYS  15          1HE       LYS  15  -4.895  -4.911   6.397
  121   2HE   LYS  15          2HE       LYS  15  -5.371  -4.839   8.100
  122   1HZ   LYS  15          3HZ       LYS  15  -7.601  -5.826   7.078
  123   2HZ   LYS  15          1HZ       LYS  15  -6.519  -6.419   5.935
  124   3HZ   LYS  15          2HZ       LYS  15  -6.312  -6.793   7.562
  125    H    ALA  16           H        ALA  16  -8.442  -3.018   2.594
  126    HA   ALA  16           HA       ALA  16 -11.094  -4.297   3.370
  127   1HB   ALA  16          2HB       ALA  16 -10.240  -3.110   5.439
  128   2HB   ALA  16          3HB       ALA  16 -10.041  -1.601   4.517
  129   3HB   ALA  16          1HB       ALA  16 -11.666  -2.267   4.804
  130    NH1  ARG  17           NH2      ARG  17  -7.825  -0.359  -3.872
  131    NH2  ARG  17           NH1      ARG  17  -7.934   1.855  -3.948
  132    H    ARG  17           H        ARG  17 -10.055  -3.913   0.898
  133    HA   ARG  17           HA       ARG  17 -12.328  -2.239  -0.149
  134   1HB   ARG  17          1HB       ARG  17 -10.052  -0.815   0.054
  135   2HB   ARG  17          2HB       ARG  17  -9.521  -1.746  -1.334
  136   1HG   ARG  17          1HG       ARG  17 -12.261  -0.546  -1.749
  137   2HG   ARG  17          2HG       ARG  17 -11.046   0.669  -1.365
  138   1HD   ARG  17          1HD       ARG  17 -10.099  -1.361  -3.374
  139   2HD   ARG  17          2HD       ARG  17 -11.532  -0.442  -3.902
  140    HE   ARG  17           HE       ARG  17 -10.266   1.686  -3.395
  141   1HH1  ARG  17          2HH2      ARG  17  -8.371  -1.206  -3.709
  142   2HH1  ARG  17          1HH2      ARG  17  -6.840  -0.255  -4.107
  143   1HH2  ARG  17          1HH1      ARG  17  -8.572   2.646  -3.835
  144   2HH2  ARG  17          2HH1      ARG  17  -6.943   1.839  -4.177
  145    H    GLU  18           H        GLU  18 -11.735  -4.986   0.066
  146    HA   GLU  18           HA       GLU  18 -11.411  -6.955  -1.256
  147   1HB   GLU  18          1HB       GLU  18 -12.644  -6.335  -3.707
  148   2HB   GLU  18          2HB       GLU  18 -13.449  -6.946  -2.281
  149   1HG   GLU  18          1HG       GLU  18 -13.661  -4.307  -1.633
  150   2HG   GLU  18          2HG       GLU  18 -13.375  -4.054  -3.337
   
  Start of MODEL           4
 Raw file had  150 H/Q atoms
  Start of MODEL    4
    1   1H    ALA   1          1H        ALA   1  10.276   7.527  -6.053
    2   2H    ALA   1          2H        ALA   1  11.826   7.542  -6.707
    3   3H    ALA   1          3H        ALA   1  10.955   6.105  -6.640
    4    HA   ALA   1           HA       ALA   1  12.271   5.763  -4.884
    5   1HB   ALA   1          2HB       ALA   1  13.492   7.951  -5.232
    6   2HB   ALA   1          3HB       ALA   1  12.163   8.843  -4.453
    7   3HB   ALA   1          1HB       ALA   1  13.159   7.711  -3.506
    8    H    LEU   2           H        LEU   2  12.065   6.121  -2.451
    9    HA   LEU   2           HA       LEU   2  10.624   5.397  -0.705
   10   1HB   LEU   2          1HB       LEU   2   8.730   7.587  -1.791
   11   2HB   LEU   2          2HB       LEU   2   8.714   6.917  -0.172
   12    HG   LEU   2           HG       LEU   2  11.374   8.054  -0.774
   13   1HD1  LEU   2          2HD1      LEU   2  10.081   9.514  -2.361
   14   2HD1  LEU   2          3HD1      LEU   2   8.963   9.983  -1.056
   15   3HD1  LEU   2          1HD1      LEU   2  10.679  10.452  -0.980
   16   1HD2  LEU   2          2HD2      LEU   2   9.214   8.774   1.334
   17   2HD2  LEU   2          3HD2      LEU   2  10.605   7.684   1.558
   18   3HD2  LEU   2          1HD2      LEU   2  10.882   9.412   1.318
   19    H    ASP   3           H        ASP   3  10.598   3.915  -2.917
   20    HA   ASP   3           HA       ASP   3   7.719   3.389  -3.609
   21   1HB   ASP   3          1HB       ASP   3  10.378   2.749  -4.810
   22   2HB   ASP   3          2HB       ASP   3   9.405   1.299  -4.704
   23    H    LYS   4           H        LYS   4   9.925   2.341  -1.277
   24    HA   LYS   4           HA       LYS   4   8.600  -0.324  -0.869
   25   1HB   LYS   4          1HB       LYS   4  10.781   1.324   0.460
   26   2HB   LYS   4          2HB       LYS   4   9.888   0.269   1.545
   27   1HG   LYS   4          1HG       LYS   4  10.804  -1.017  -1.063
   28   2HG   LYS   4          2HG       LYS   4  12.096  -0.509   0.022
   29   1HD   LYS   4          1HD       LYS   4  10.606  -1.871   1.835
   30   2HD   LYS   4          2HD       LYS   4   9.911  -2.617   0.382
   31   1HE   LYS   4          1HE       LYS   4  11.787  -4.051   0.779
   32   2HE   LYS   4          2HE       LYS   4  12.451  -2.933  -0.423
   33   1HZ   LYS   4          3HZ       LYS   4  12.664  -2.420   2.495
   34   2HZ   LYS   4          1HZ       LYS   4  13.821  -3.276   1.623
   35   3HZ   LYS   4          2HZ       LYS   4  13.502  -1.668   1.245
   36    H    LEU   5           H        LEU   5   8.321   2.950   0.283
   37    HA   LEU   5           HA       LEU   5   6.309   2.155   2.373
   38   1HB   LEU   5          1HB       LEU   5   7.644   4.720   1.453
   39   2HB   LEU   5          2HB       LEU   5   6.027   4.915   2.102
   40    HG   LEU   5           HG       LEU   5   7.445   5.332   3.938
   41   1HD1  LEU   5          2HD1      LEU   5   5.587   3.747   4.531
   42   2HD1  LEU   5          3HD1      LEU   5   6.649   2.352   4.220
   43   3HD1  LEU   5          1HD1      LEU   5   7.008   3.471   5.556
   44   1HD2  LEU   5          2HD2      LEU   5   9.099   2.812   3.209
   45   2HD2  LEU   5          3HD2      LEU   5   9.618   4.510   3.063
   46   3HD2  LEU   5          1HD2      LEU   5   9.351   3.815   4.665
   47    H    LYS   6           H        LYS   6   6.312   3.341  -0.894
   48    HA   LYS   6           HA       LYS   6   3.391   3.864  -0.908
   49   1HB   LYS   6          1HB       LYS   6   5.335   3.236  -3.250
   50   2HB   LYS   6          2HB       LYS   6   3.710   3.874  -3.453
   51   1HG   LYS   6          1HG       LYS   6   4.323   6.049  -2.630
   52   2HG   LYS   6          2HG       LYS   6   5.615   5.418  -1.612
   53   1HD   LYS   6          1HD       LYS   6   7.133   5.899  -3.255
   54   2HD   LYS   6          2HD       LYS   6   6.258   4.898  -4.430
   55   1HE   LYS   6          1HE       LYS   6   4.580   7.218  -4.069
   56   2HE   LYS   6          2HE       LYS   6   6.224   7.870  -4.155
   57   1HZ   LYS   6          1HZ       LYS   6   6.279   5.998  -6.092
   58   2HZ   LYS   6          2HZ       LYS   6   4.685   6.526  -6.194
   59   3HZ   LYS   6          3HZ       LYS   6   5.947   7.628  -6.336
   60    H    GLU   7           H        GLU   7   5.432   1.142  -1.733
   61    HA   GLU   7           HA       GLU   7   3.348  -0.660  -2.727
   62   1HB   GLU   7          1HB       GLU   7   5.170  -2.045  -2.780
   63   2HB   GLU   7          2HB       GLU   7   6.108  -0.786  -2.015
   64   1HG   GLU   7          1HG       GLU   7   5.822  -1.767   0.219
   65   2HG   GLU   7          2HG       GLU   7   4.515  -2.808  -0.293
   66    H    PHE   8           H        PHE   8   4.334   0.388   0.446
   67    HA   PHE   8           HA       PHE   8   2.838  -1.672   1.948
   68   1HB   PHE   8          1HB       PHE   8   4.737  -0.202   2.883
   69   2HB   PHE   8          2HB       PHE   8   3.692   1.188   2.804
   70    HD1  PHE   8           HD1      PHE   8   2.576  -2.209   3.956
   71    HD2  PHE   8           HD2      PHE   8   3.593   1.800   5.122
   72    HE1  PHE   8           HE1      PHE   8   1.761  -2.664   6.231
   73    HE2  PHE   8           HE2      PHE   8   2.744   1.347   7.391
   74    HZ   PHE   8           HZ       PHE   8   1.819  -0.882   7.949
   75    H    GLY   9           H        GLY   9   2.127   1.619   0.928
   76   1HA   GLY   9          1HA       GLY   9  -0.503   1.781   2.254
   77   2HA   GLY   9          2HA       GLY   9   0.025   2.807   0.905
   78    H    ASN  10           H        ASN  10   0.572   0.325  -0.723
   79    HA   ASN  10           HA       ASN  10  -2.192   0.012  -1.806
   80   1HB   ASN  10          1HB       ASN  10   0.006  -0.024  -3.176
   81   2HB   ASN  10          2HB       ASN  10   0.416  -1.564  -2.458
   82   1HD2  ASN  10          1HD2      ASN  10  -2.060  -1.490  -5.633
   83   2HD2  ASN  10          2HD2      ASN  10  -1.479   0.080  -4.852
   84    H    THR  11           H        THR  11  -0.268  -1.672   0.495
   85    HA   THR  11           HA       THR  11  -1.983  -4.124   0.460
   86    HB   THR  11           HB       THR  11   0.204  -2.958   2.239
   87    HG1  THR  11           HG1      THR  11   1.014  -5.045   1.946
   88   1HG2  THR  11          3HG2      THR  11  -1.556  -5.326   3.211
   89   2HG2  THR  11          1HG2      THR  11  -0.014  -4.814   3.943
   90   3HG2  THR  11          2HG2      THR  11  -1.416  -3.748   4.023
   91    H    LEU  12           H        LEU  12  -1.669  -1.295   2.554
   92    HA   LEU  12           HA       LEU  12  -3.961  -1.759   4.226
   93   1HB   LEU  12          1HB       LEU  12  -2.346   0.166   4.502
   94   2HB   LEU  12          2HB       LEU  12  -2.937   0.901   3.026
   95    HG   LEU  12           HG       LEU  12  -5.054   0.449   5.116
   96   1HD1  LEU  12          3HD2      LEU  12  -3.004   1.148   6.514
   97   2HD1  LEU  12          1HD2      LEU  12  -2.933   2.654   5.593
   98   3HD1  LEU  12          2HD2      LEU  12  -4.363   2.296   6.601
   99   1HD2  LEU  12          2HD1      LEU  12  -5.418   1.698   2.929
  100   2HD2  LEU  12          3HD1      LEU  12  -5.778   2.708   4.351
  101   3HD2  LEU  12          1HD1      LEU  12  -4.257   2.930   3.454
  102    H    GLU  13           H        GLU  13  -3.902  -0.246   1.038
  103    HA   GLU  13           HA       GLU  13  -6.802   0.369   1.072
  104   1HB   GLU  13          1HB       GLU  13  -4.693   0.078  -1.159
  105   2HB   GLU  13          2HB       GLU  13  -6.360   0.428  -1.542
  106   1HG   GLU  13          1HG       GLU  13  -6.138   2.676  -1.012
  107   2HG   GLU  13          2HG       GLU  13  -5.323   2.358   0.499
  108    H    ASP  14           H        ASP  14  -4.912  -2.085  -0.652
  109    HA   ASP  14           HA       ASP  14  -7.043  -3.764  -1.511
  110   1HB   ASP  14          1HB       ASP  14  -4.144  -4.217  -0.766
  111   2HB   ASP  14          2HB       ASP  14  -5.154  -5.644  -0.646
  112    H    LYS  15           H        LYS  15  -6.015  -3.179   1.725
  113    HA   LYS  15           HA       LYS  15  -6.995  -5.653   2.910
  114   1HB   LYS  15          1HB       LYS  15  -6.215  -2.906   3.869
  115   2HB   LYS  15          2HB       LYS  15  -7.418  -3.669   4.898
  116   1HG   LYS  15          1HG       LYS  15  -4.928  -5.277   4.044
  117   2HG   LYS  15          2HG       LYS  15  -4.781  -4.065   5.314
  118   1HD   LYS  15          1HD       LYS  15  -6.876  -5.408   6.364
  119   2HD   LYS  15          2HD       LYS  15  -6.357  -6.690   5.251
  120   1HE   LYS  15          1HE       LYS  15  -3.929  -6.386   6.177
  121   2HE   LYS  15          2HE       LYS  15  -4.608  -5.346   7.439
  122   1HZ   LYS  15          2HZ       LYS  15  -6.238  -7.286   7.808
  123   2HZ   LYS  15          3HZ       LYS  15  -5.115  -8.214   6.967
  124   3HZ   LYS  15          1HZ       LYS  15  -4.663  -7.426   8.382
  125    H    ALA  16           H        ALA  16  -8.588  -2.549   2.343
  126    HA   ALA  16           HA       ALA  16 -11.229  -4.002   2.813
  127   1HB   ALA  16          2HB       ALA  16 -10.623  -2.782   4.954
  128   2HB   ALA  16          3HB       ALA  16 -10.433  -1.258   4.056
  129   3HB   ALA  16          1HB       ALA  16 -12.036  -2.017   4.203
  130    NH1  ARG  17           NH2      ARG  17 -11.302   0.721  -6.050
  131    NH2  ARG  17           NH1      ARG  17 -13.467   0.461  -5.641
  132    H    ARG  17           H        ARG  17  -9.948  -3.490   0.459
  133    HA   ARG  17           HA       ARG  17 -11.387  -1.191  -0.809
  134   1HB   ARG  17          1HB       ARG  17  -9.175  -2.057  -1.690
  135   2HB   ARG  17          2HB       ARG  17  -9.894  -3.619  -2.035
  136   1HG   ARG  17          1HG       ARG  17  -9.704  -2.286  -4.145
  137   2HG   ARG  17          2HG       ARG  17 -11.407  -2.542  -3.777
  138   1HD   ARG  17          1HD       ARG  17 -10.670  -0.078  -2.440
  139   2HD   ARG  17          2HD       ARG  17  -9.914  -0.021  -4.054
  140    HE   ARG  17           HE       ARG  17 -12.874  -0.529  -3.534
  141   1HH1  ARG  17          2HH2      ARG  17 -10.367   0.563  -5.672
  142   2HH1  ARG  17          1HH2      ARG  17 -11.585   1.137  -6.935
  143   1HH2  ARG  17          1HH1      ARG  17 -14.130   0.109  -4.948
  144   2HH2  ARG  17          2HH1      ARG  17 -13.632   0.893  -6.547
  145    H    GLU  18           H        GLU  18 -11.756  -4.674  -0.588
  146    HA   GLU  18           HA       GLU  18 -13.498  -6.088  -1.420
  147   1HB   GLU  18          1HB       GLU  18 -15.849  -4.626  -0.889
  148   2HB   GLU  18          2HB       GLU  18 -15.017  -5.679   0.231
  149   1HG   GLU  18          1HG       GLU  18 -13.602  -3.425   0.829
  150   2HG   GLU  18          2HG       GLU  18 -14.961  -2.603   0.104
   
  Start of MODEL           5
 Raw file had  150 H/Q atoms
  Start of MODEL    5
    1   1H    ALA   1          2H        ALA   1  10.105   5.945  -6.630
    2   2H    ALA   1          3H        ALA   1  10.742   7.501  -6.676
    3   3H    ALA   1          1H        ALA   1  11.621   6.214  -7.307
    4    HA   ALA   1           HA       ALA   1  12.136   5.326  -5.284
    5   1HB   ALA   1          2HB       ALA   1  13.362   7.476  -5.808
    6   2HB   ALA   1          3HB       ALA   1  12.084   8.426  -5.014
    7   3HB   ALA   1          1HB       ALA   1  13.113   7.332  -4.057
    8    H    LEU   2           H        LEU   2  12.060   5.862  -2.862
    9    HA   LEU   2           HA       LEU   2  10.712   5.286  -0.992
   10   1HB   LEU   2          1HB       LEU   2   8.718   7.348  -2.142
   11   2HB   LEU   2          2HB       LEU   2   8.848   6.844  -0.469
   12    HG   LEU   2           HG       LEU   2  11.438   7.929  -1.313
   13   1HD1  LEU   2          2HD1      LEU   2  10.123   9.123  -3.091
   14   2HD1  LEU   2          3HD1      LEU   2   9.023   9.793  -1.861
   15   3HD1  LEU   2          1HD1      LEU   2  10.739  10.265  -1.882
   16   1HD2  LEU   2          2HD2      LEU   2   9.306   8.975   0.686
   17   2HD2  LEU   2          3HD2      LEU   2  10.699   7.930   1.060
   18   3HD2  LEU   2          1HD2      LEU   2  10.973   9.599   0.547
   19    H    ASP   3           H        ASP   3  10.574   3.625  -3.074
   20    HA   ASP   3           HA       ASP   3   7.695   3.077  -3.656
   21   1HB   ASP   3          1HB       ASP   3  10.332   2.189  -4.727
   22   2HB   ASP   3          2HB       ASP   3   9.325   0.792  -4.421
   23    H    LYS   4           H        LYS   4   9.817   2.265  -1.163
   24    HA   LYS   4           HA       LYS   4   8.433  -0.324  -0.508
   25   1HB   LYS   4          1HB       LYS   4  10.697   1.350   0.625
   26   2HB   LYS   4          2HB       LYS   4   9.784   0.450   1.827
   27   1HG   LYS   4          1HG       LYS   4  10.549  -1.162  -0.632
   28   2HG   LYS   4          2HG       LYS   4  11.918  -0.564   0.303
   29   1HD   LYS   4          1HD       LYS   4   9.583  -2.035   1.656
   30   2HD   LYS   4          2HD       LYS   4  10.829  -2.945   0.780
   31   1HE   LYS   4          1HE       LYS   4  12.445  -1.193   2.255
   32   2HE   LYS   4          2HE       LYS   4  11.095  -1.393   3.382
   33   1HZ   LYS   4          3HZ       LYS   4  11.302  -3.850   2.974
   34   2HZ   LYS   4          1HZ       LYS   4  12.747  -3.540   2.171
   35   3HZ   LYS   4          2HZ       LYS   4  12.585  -3.138   3.795
   36    H    LEU   5           H        LEU   5   8.242   3.048   0.343
   37    HA   LEU   5           HA       LEU   5   6.271   2.451   2.548
   38   1HB   LEU   5          1HB       LEU   5   7.659   4.927   1.444
   39   2HB   LEU   5          2HB       LEU   5   6.097   5.190   2.196
   40    HG   LEU   5           HG       LEU   5   7.560   5.610   3.959
   41   1HD1  LEU   5          2HD1      LEU   5   5.852   3.912   4.675
   42   2HD1  LEU   5          3HD1      LEU   5   6.972   2.585   4.277
   43   3HD1  LEU   5          1HD1      LEU   5   7.358   3.722   5.592
   44   1HD2  LEU   5          2HD2      LEU   5   9.309   3.199   3.094
   45   2HD2  LEU   5          3HD2      LEU   5   9.710   4.926   2.922
   46   3HD2  LEU   5          1HD2      LEU   5   9.604   4.212   4.534
   47    H    LYS   6           H        LYS   6   6.260   3.497  -0.768
   48    HA   LYS   6           HA       LYS   6   3.371   4.209  -0.706
   49   1HB   LYS   6          1HB       LYS   6   5.233   3.553  -3.103
   50   2HB   LYS   6          2HB       LYS   6   3.646   4.300  -3.245
   51   1HG   LYS   6          1HG       LYS   6   4.406   6.394  -2.340
   52   2HG   LYS   6          2HG       LYS   6   5.690   5.644  -1.396
   53   1HD   LYS   6          1HD       LYS   6   7.099   6.388  -3.039
   54   2HD   LYS   6          2HD       LYS   6   6.435   5.120  -4.088
   55   1HE   LYS   6          1HE       LYS   6   4.413   7.132  -4.177
   56   2HE   LYS   6          2HE       LYS   6   5.907   8.081  -4.171
   57   1HZ   LYS   6          2HZ       LYS   6   6.683   6.331  -5.902
   58   2HZ   LYS   6          3HZ       LYS   6   5.039   6.042  -6.108
   59   3HZ   LYS   6          1HZ       LYS   6   5.661   7.581  -6.373
   60    H    GLU   7           H        GLU   7   5.249   1.419  -1.753
   61    HA   GLU   7           HA       GLU   7   2.910  -0.162  -2.620
   62   1HB   GLU   7          1HB       GLU   7   5.778  -0.761  -1.735
   63   2HB   GLU   7          2HB       GLU   7   4.664  -2.102  -1.836
   64   1HG   GLU   7          1HG       GLU   7   5.612  -0.278  -4.146
   65   2HG   GLU   7          2HG       GLU   7   5.946  -1.980  -3.949
   66    H    PHE   8           H        PHE   8   4.233   0.678   0.460
   67    HA   PHE   8           HA       PHE   8   2.930  -1.487   1.987
   68   1HB   PHE   8          1HB       PHE   8   4.806   0.035   2.867
   69   2HB   PHE   8          2HB       PHE   8   3.714   1.390   2.858
   70    HD1  PHE   8           HD2      PHE   8   2.143  -1.756   3.952
   71    HD2  PHE   8           HD1      PHE   8   4.432   1.632   5.275
   72    HE1  PHE   8           HE2      PHE   8   1.360  -2.118   6.262
   73    HE2  PHE   8           HE1      PHE   8   3.609   1.293   7.568
   74    HZ   PHE   8           HZ       PHE   8   2.099  -0.602   8.076
   75    H    GLY   9           H        GLY   9   2.021   1.832   1.202
   76   1HA   GLY   9          1HA       GLY   9  -0.566   1.731   2.627
   77   2HA   GLY   9          2HA       GLY   9  -0.132   2.913   1.376
   78    H    ASN  10           H        ASN  10   0.503   0.604  -0.485
   79    HA   ASN  10           HA       ASN  10  -2.271   0.251  -1.534
   80   1HB   ASN  10          1HB       ASN  10  -0.107   0.457  -2.946
   81   2HB   ASN  10          2HB       ASN  10   0.390  -1.123  -2.388
   82   1HD2  ASN  10          1HD2      ASN  10  -1.574  -2.715  -4.889
   83   2HD2  ASN  10          2HD2      ASN  10  -0.358  -2.898  -3.511
   84    H    THR  11           H        THR  11  -0.206  -1.518   0.573
   85    HA   THR  11           HA       THR  11  -1.792  -4.046   0.353
   86    HB   THR  11           HB       THR  11   0.378  -2.932   2.183
   87    HG1  THR  11           HG1      THR  11   1.277  -4.942   1.687
   88   1HG2  THR  11          3HG2      THR  11  -1.243  -5.460   2.977
   89   2HG2  THR  11          1HG2      THR  11   0.290  -4.938   3.718
   90   3HG2  THR  11          2HG2      THR  11  -1.158  -3.954   3.923
   91    H    LEU  12           H        LEU  12  -1.565  -1.404   2.690
   92    HA   LEU  12           HA       LEU  12  -3.792  -2.137   4.356
   93   1HB   LEU  12          1HB       LEU  12  -2.254  -0.170   4.778
   94   2HB   LEU  12          2HB       LEU  12  -2.925   0.673   3.397
   95    HG   LEU  12           HG       LEU  12  -4.842   1.354   4.530
   96   1HD1  LEU  12          2HD1      LEU  12  -5.689  -0.959   5.026
   97   2HD1  LEU  12          3HD1      LEU  12  -4.601  -1.079   6.431
   98   3HD1  LEU  12          1HD1      LEU  12  -5.922   0.115   6.418
   99   1HD2  LEU  12          2HD2      LEU  12  -2.841   0.912   6.857
  100   2HD2  LEU  12          3HD2      LEU  12  -2.964   2.349   5.813
  101   3HD2  LEU  12          1HD2      LEU  12  -4.278   1.969   6.931
  102    H    GLU  13           H        GLU  13  -3.877  -0.325   1.328
  103    HA   GLU  13           HA       GLU  13  -6.797   0.135   1.461
  104   1HB   GLU  13          1HB       GLU  13  -4.732   0.117  -0.827
  105   2HB   GLU  13          2HB       GLU  13  -6.425   0.402  -1.154
  106   1HG   GLU  13          1HG       GLU  13  -6.322   2.612  -0.442
  107   2HG   GLU  13          2HG       GLU  13  -5.425   2.229   1.006
  108    H    ASP  14           H        ASP  14  -4.844  -2.079  -0.503
  109    HA   ASP  14           HA       ASP  14  -6.911  -3.777  -1.460
  110   1HB   ASP  14          1HB       ASP  14  -3.979  -4.147  -0.825
  111   2HB   ASP  14          2HB       ASP  14  -4.912  -5.631  -0.798
  112    H    LYS  15           H        LYS  15  -5.868  -3.438   1.803
  113    HA   LYS  15           HA       LYS  15  -6.610  -5.998   2.866
  114   1HB   LYS  15          1HB       LYS  15  -6.395  -3.182   3.927
  115   2HB   LYS  15          2HB       LYS  15  -7.499  -4.185   4.856
  116   1HG   LYS  15          1HG       LYS  15  -4.697  -5.267   4.143
  117   2HG   LYS  15          2HG       LYS  15  -4.877  -4.107   5.457
  118   1HD   LYS  15          1HD       LYS  15  -6.850  -6.293   5.715
  119   2HD   LYS  15          2HD       LYS  15  -5.229  -6.968   5.464
  120   1HE   LYS  15          1HE       LYS  15  -4.280  -5.754   7.368
  121   2HE   LYS  15          2HE       LYS  15  -5.675  -4.673   7.496
  122   1HZ   LYS  15          2HZ       LYS  15  -6.986  -6.870   7.819
  123   2HZ   LYS  15          3HZ       LYS  15  -5.489  -7.519   8.227
  124   3HZ   LYS  15          1HZ       LYS  15  -6.110  -6.223   9.100
  125    H    ALA  16           H        ALA  16  -8.675  -3.160   2.384
  126    HA   ALA  16           HA       ALA  16 -11.020  -4.976   1.938
  127   1HB   ALA  16          2HB       ALA  16 -10.886  -4.965   4.464
  128   2HB   ALA  16          3HB       ALA  16 -10.926  -3.186   4.482
  129   3HB   ALA  16          1HB       ALA  16 -12.346  -4.108   3.931
  130    NH1  ARG  17           NH2      ARG  17  -9.683  -1.944  -6.570
  131    NH2  ARG  17           NH1      ARG  17 -11.415  -0.692  -7.164
  132    H    ARG  17           H        ARG  17  -9.895  -3.389   0.213
  133    HA   ARG  17           HA       ARG  17 -11.253  -0.758   0.083
  134   1HB   ARG  17          1HB       ARG  17  -9.144  -1.349  -1.207
  135   2HB   ARG  17          2HB       ARG  17 -10.028  -2.544  -2.138
  136   1HG   ARG  17          1HG       ARG  17 -11.565  -0.482  -2.922
  137   2HG   ARG  17          2HG       ARG  17 -10.305   0.537  -2.233
  138   1HD   ARG  17          1HD       ARG  17  -8.843   0.108  -3.984
  139   2HD   ARG  17          2HD       ARG  17  -9.234  -1.631  -4.024
  140    HE   ARG  17           HE       ARG  17 -11.330   0.327  -4.991
  141   1HH1  ARG  17          2HH2      ARG  17  -9.034  -2.144  -5.808
  142   2HH1  ARG  17          1HH2      ARG  17  -9.745  -2.358  -7.498
  143   1HH2  ARG  17          1HH1      ARG  17 -12.045   0.040  -6.832
  144   2HH2  ARG  17          2HH1      ARG  17 -11.382  -1.173  -8.061
  145    H    GLU  18           H        GLU  18 -12.010  -4.001  -0.936
  146    HA   GLU  18           HA       GLU  18 -13.862  -4.840  -2.192
  147   1HB   GLU  18          1HB       GLU  18 -16.130  -3.747  -1.258
  148   2HB   GLU  18          2HB       GLU  18 -15.168  -4.821  -0.270
  149   1HG   GLU  18          1HG       GLU  18 -14.068  -2.640   0.762
  150   2HG   GLU  18          2HG       GLU  18 -15.317  -1.733  -0.055
   
   
  No H/Q in entry =         150