*HEADER    DE NOVO PROTEIN                         13-MAY-04   1T8J              
*TITLE     NMR STRUCTURE OF BBA5, A COMPACT, INDEPENDENTLY FOLDED BBA            
*TITLE    2 MOTIF                                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BBA5;                                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED.               
*KEYWDS    PROTEIN DESIGN, MINI-PROTEIN, BETA BETA ALPHA                         
*EXPDTA    NMR                                                                   
*AUTHOR    M.D.STRUTHERS, J.J.OTTESEN, B.IMPERIALI                               
*REVDAT   1   01-JUN-04 1T8J    0                                                
Atom 1
Atom 2
Lower 
Bound
Upper 
Bound
Restraint 
Strength
1:PHE_8:HA
1:SER_9:HB*
1.800
4.917
weak
1:PRO_4:HA
1:PRO_4:HD*
1.800
4.500
medium
1:VAL_3:HA
1:PRO_4:HD*
1.000
3.500
strong
1:SER_11:HA
1:SER_11:HB*
1.000
2.341
strong
1:SER_9:HA
1:SER_9:HB*
1.000
2.330
strong
1:SER_5:HB*
1:SER_5:HA
1.000
3.500
strong
1:ASP-_7:HA
1:ARG+_2:HA
1.000
2.500
strong
1:HIS+_21:HB*
1:HIS+_21:HA
1.800
3.390
medium
1:TYR_1:HB*
1:TYR_1:HA
1.000
2.343
strong
1:TYR_6:HB*
1:TYR_6:HA
1.000
2.343
strong
1:PHE_8:HB*
1:PHE_8:HA
1.000
2.345
strong
1:ASP-_12:HA
1:ASP-_12:HB*
1.000
3.500
strong
1:ARG+_2:HA
1:ARG+_2:HD*
1.800
4.500
medium
1:SER_5:HA
1:ARG+_2:HD*
1.800
6.000
weak
1:ARG+_10:HA
1:ARG+_10:HD*
1.800
4.500
medium
1:ASP-_7:HA
1:ASP-_7:HB*
1.000
2.912
medium
1:ARG+_19:HA
1:ARG+_19:HD*
1.800
4.500
medium
1:LEU_18:HA
1:HIS+_21:HB*
1.800
3.390
medium
1:GLU-_13:HA
1:LYS+_16:HE*
1.800
4.500
medium
1:ARG+_2:HA
1:ASP-_7:HB*
1.800
3.388
medium
1:ARG+_2:HD*
1:ASP-_7:HA
1.800
6.000
weak
1:LYS+_16:HA
1:LYS+_16:HE*
1.800
6.000
weak
1:LYS+_16:HN
1:ARG+_19:HD*
1.800
4.500
medium
1:HIS+_21:HA
1:GLN_20:HB*
1.800
6.000
weak
1:ASP-_7:HA
1:ARG+_2:HG*
1.800
4.500
medium
1:ARG+_2:HB*
1:ASP-_7:HA
1.800
5.426
very
1:ARG+_2:HB*
1:ARG+_2:HA
1.800
3.383
medium
1:TYR_1:HA
1:ARG+_10:HB*
1.800
6.500
very
1:ASP-_12:HA
1:GLU-_13:HB*
1.800
6.000
weak
1:PHE_8:HA
1:GLU-_13:HB*
1.800
6.000
weak
1:PRO_4:HA
1:PRO_4:HB*
1.000
3.500
strong
1:PRO_4:HA
1:VAL_3:HB
1.800
5.000
weak
1:ARG+_10:HA
1:GLU-_13:HB*
1.800
4.500
medium
1:VAL_3:HA
1:VAL_3:HB
1.800
3.500
medium
1:ARG+_10:HA
1:ARG+_10:HB*
1.000
2.339
strong
1:ALA_22:HA
1:ALA_22:HB*
1.800
4.500
medium
1:ARG+_10:HG*
1:ARG+_10:HA
1.000
3.500
strong
1:SER_11:HA
1:ALA_15:HB*
1.800
4.500
medium
1:ARG+_19:HA
1:ALA_22:HB*
1.800
4.500
medium
1:ARG+_19:HA
1:ARG+_19:HG*
1.000
2.345
strong
1:ARG+_19:HA
1:ARG+_19:HB*
1.000
3.500
strong
1:GLN_20:HA
1:GLN_20:HB*
1.000
3.500
strong
1:LEU_17:HA
1:GLN_20:HB*
1.000
3.500
strong
1:GLU-_13:HA
1:GLU-_13:HB*
1.000
3.500
strong
1:LYS+_16:HA
1:LYS+_16:HB*
1.000
3.500
strong
1:LYS+_16:HD*
1:LYS+_16:HA
1.800
4.500
medium
1:LYS+_16:HG*
1:LYS+_16:HA
1.800
3.388
medium
1:LYS+_16:HA
1:ALA_15:HB*
1.800
4.500
medium
1:ALA_15:HB*
1:ALA_15:HA
1.000
3.500
strong
1:LEU_18:HA
1:LEU_18:HB*
1.000
3.500
strong
1:LEU_17:HA
1:LEU_17:HG
1.000
2.500
strong
1:LEU_17:HA
1:LEU_17:HB*
1.000
2.341
strong
1:LEU_17:HA
1:LYS+_16:HB*
1.800
4.500
medium
1:LEU_14:HA
1:LEU_17:HB*
1.800
4.500
medium
1:ALA_15:HA
1:LEU_18:HB*
1.000
2.918
strong
1:GLU-_13:HA
1:LYS+_16:HB*
1.000
3.500
strong
1:PRO_4:HD*
1:PRO_4:HB*
1.800
5.500
medium
1:PRO_4:HD*
1:VAL_3:HB
1.800
4.500
medium
1:PRO_4:HD*
1:ARG+_2:HB*
1.800
4.410
medium
1:PRO_4:HD*
1:ARG+_2:HG*
1.800
5.500
medium
1:SER_9:HB*
1:ARG+_10:HB*
1.800
6.917
weak
1:GLN_20:HA
1:GLN_20:HG*
1.800
3.389
medium
1:LEU_17:HA
1:GLN_20:HG*
1.800
3.389
medium
1:GLU-_13:HA
1:GLU-_13:HG*
1.000
3.500
strong
1:VAL_3:HG*
1:PRO_4:HD*
1.000
5.900
strong
1:VAL_3:HG*
1:VAL_3:HA
1.000
4.900
strong
1:VAL_3:HG*
1:PRO_4:HA
1.800
5.900
medium
1:VAL_3:HG*
1:ARG+_2:HA
1.800
7.400
weak
1:LEU_14:HD*
1:SER_11:HA
1.800
5.052
medium
1:LEU_17:HD*
1:LEU_14:HA
1.800
5.900
medium
1:LEU_14:HD*
1:SER_11:HB*
1.800
6.409
weak
1:LYS+_16:HA
1:ARG+_19:HG*
1.800
4.500
medium
1:LYS+_16:HB*
1:LYS+_16:HE*
1.800
5.500
medium
1:LYS+_16:HG*
1:LYS+_16:HE*
1.800
4.413
medium
1:ARG+_2:HB*
1:ARG+_2:HD*
1.800
4.410
medium
1:ARG+_2:HG*
1:ARG+_2:HD*
1.000
4.500
strong
1:ARG+_19:HD*
1:ALA_15:HB*
1.800
7.000
weak
1:TYR_6:HB*
1:VAL_3:HB
1.800
3.390
medium
1:GLN_20:HG*
1:GLN_20:HB*
1.000
3.389
strong
1:GLU-_13:HB*
1:GLU-_13:HG*
1.000
4.500
strong
1:GLU-_13:HB*
1:ARG+_10:HG*
1.800
5.500
medium
1:GLN_20:HB*
1:ARG+_19:HB*
1.800
5.500
medium
1:GLU-_13:HB*
1:ARG+_10:HB*
1.000
3.933
strong
1:LYS+_16:HB*
1:LYS+_16:HG*
1.000
3.388
strong
1:LYS+_16:HB*
1:ALA_15:HB*
1.800
5.500
medium
1:LYS+_16:HB*
1:LYS+_16:HD*
1.000
4.500
strong
1:ARG+_10:HB*
1:ARG+_10:HG*
1.000
4.500
strong
1:ARG+_2:HB*
1:ARG+_2:HG*
1.000
3.383
strong
1:LYS+_16:HD*
1:LYS+_16:HG*
1.000
4.500
strong
1:ALA_15:HB*
1:ASP-_12:HB*
1.800
5.500
medium
1:GLU-_13:HG*
1:ARG+_10:HB*
1.800
4.413
medium
1:PHE_8:HB*
1:VAL_3:HG*
1.800
7.349
weak
1:ARG+_2:HB*
1:VAL_3:HG*
1.800
5.831
medium
1:ARG+_2:HG*
1:VAL_3:HG*
1.800
8.400
weak
1:VAL_3:HB
1:VAL_3:HG*
1.000
4.900
strong
1:LEU_17:HD*
1:GLU-_13:HG*
1.800
6.383
medium
1:LEU_18:HD*
1:ALA_15:HB*
1.800
6.900
medium
1:LEU_17:HD*
1:VAL_3:HG*
1.000
7.300
strong
1:LEU_18:HD*
1:VAL_3:HG*
1.000
5.675
strong
1:PHE_8:HA
1:TYR_6:HE*
1.800
5.500
medium
1:PHE_8:HE*
1:PRO_4:HD*
1.800
8.000
weak
1:PHE_8:HD*
1:PRO_4:HD*
1.800
8.000
weak
1:PHE_8:HE*
1:LEU_14:HA
1.800
7.000
weak
1:PHE_8:HD*
1:LEU_14:HA
1.800
7.000
weak
1:PHE_8:HZ
1:LEU_14:HA
1.800
5.000
weak
1:PHE_8:HD*
1:ASP-_7:HA
1.800
7.000
weak
1:PHE_8:HE*
1:ASP-_7:HA
1.800
7.500
very
1:TYR_6:HD*
1:ASP-_7:HA
1.800
7.000
weak
1:TYR_6:HE*
1:SER_5:HB*
1.800
8.000
weak
1:TYR_1:HD*
1:SER_11:HB*
1.800
8.500
very
1:TYR_6:HD*
1:SER_5:HA
1.800
7.000
weak
1:TYR_1:HD*
1:SER_9:HA
1.800
7.000
weak
1:PHE_8:HD*
1:SER_9:HA
1.800
7.000
weak
1:TYR_1:HD*
1:TYR_1:HA
1.800
5.500
medium
1:TYR_6:HD*
1:TYR_6:HA
1.800
5.500
medium
1:TYR_6:HD*
1:PHE_8:HA
1.800
7.000
weak
1:PHE_8:HE*
1:PHE_8:HA
1.800
5.500
medium
1:PHE_8:HD*
1:PHE_8:HA
1.800
5.500
medium
1:PHE_8:HD*
1:ARG+_2:HA
1.800
5.500
medium
1:SER_5:HA
1:TYR_6:HE*
1.800
7.000
weak
1:TYR_1:HD*
1:VAL_3:HA
1.800
7.500
very
1:LEU_17:HA
1:HIS+_21:HD2
1.800
5.000
weak
1:HIS+_21:HA
1:HIS+_21:HD2
1.800
5.000
weak
1:HIS+_21:HD2
1:HIS+_21:HB*
1.800
3.390
medium
1:PHE_8:HE*
1:PHE_8:HB*
1.800
5.431
medium
1:PHE_8:HZ
1:PHE_8:HB*
1.800
6.000
weak
1:TYR_1:HD*
1:PHE_8:HB*
1.800
6.946
weak
1:TYR_6:HD*
1:PHE_8:HB*
1.800
8.000
weak
1:PHE_8:HE*
1:TYR_6:HB*
1.800
5.430
medium
1:TYR_6:HB*
1:TYR_6:HD*
1.000
4.949
strong
1:TYR_1:HB*
1:TYR_1:HD*
1.000
4.949
strong
1:PHE_8:HD*
1:PHE_8:HB*
1.000
4.950
strong
1:PHE_8:HE*
1:VAL_3:HG*
1.800
7.900
medium
1:PHE_8:HD*
1:VAL_3:HG*
1.800
7.900
medium
1:PHE_8:HZ
1:VAL_3:HG*
1.800
5.900
medium
1:TYR_1:HD*
1:VAL_3:HG*
1.800
7.900
medium
1:TYR_6:HD*
1:VAL_3:HG*
1.800
7.900
medium
1:TYR_1:HD*
1:ALA_15:HB*
1.800
8.500
very
1:TYR_1:HE*
1:ALA_15:HB*
1.800
8.000
weak
1:TYR_1:HD*
1:LEU_14:HG
1.800
7.000
weak
1:TYR_1:HE*
1:ACE_0:HA*
1.800
8.000
weak
1:TYR_6:HD*
1:VAL_3:HB
1.800
7.000
weak
1:TYR_1:HD*
1:ACE_0:HA*
1.800
8.000
weak
1:HIS+_21:HD2
1:GLN_20:HB*
1.800
6.000
weak
1:PHE_8:HD*
1:GLU-_13:HG*
1.800
8.000
weak
1:PHE_8:HE*
1:GLU-_13:HG*
1.800
8.000
weak
1:PHE_8:HZ
1:VAL_3:HB
1.800
5.000
weak
1:PHE_8:HE*
1:VAL_3:HB
1.800
5.500
medium
1:PHE_8:HD*
1:VAL_3:HB
1.800
5.500
medium
1:PHE_8:HE*
1:GLU-_13:HB*
1.800
6.500
medium
1:PHE_8:HD*
1:GLU-_13:HB*
1.800
6.500
medium
1:PHE_8:HE*
1:ACE_0:HA*
1.800
8.000
weak
1:PHE_8:HD*
1:ACE_0:HA*
1.800
8.000
weak
1:PHE_8:HE*
1:LEU_17:HB*
1.800
8.500
very
1:PHE_8:HD*
1:LEU_17:HB*
1.800
8.500
very
1:PHE_8:HE*
1:LEU_17:HG
1.800
7.000
weak
1:PHE_8:HD*
1:LEU_17:HG
1.800
7.000
weak
1:PHE_8:HZ
1:LEU_14:HB*
1.800
6.000
weak
1:PHE_8:HE*
1:LEU_14:HB*
1.800
6.500
medium
1:PHE_8:HD*
1:LEU_14:HB*
1.800
8.000
weak
1:LEU_17:HD*
1:TYR_6:HD*
1.800
9.400
weak
1:LEU_17:HD*
1:PHE_8:HZ
1.800
7.400
weak
1:LEU_17:HD*
1:TYR_6:HE*
1.800
9.400
weak
1:LEU_14:HD*
1:TYR_6:HD*
1.800
7.836
weak
1:LEU_14:HD*
1:TYR_1:HD*
1.800
7.836
weak
1:LEU_14:HD*
1:PHE_8:HZ
1.800
4.201
medium
1:LEU_17:HD*
1:PHE_8:HD*
1.800
9.400
weak
1:LEU_17:HD*
1:PHE_8:HE*
1.800
9.400
weak
1:LEU_14:HD*
1:PHE_8:HD*
1.800
6.297
medium
1:LEU_14:HD*
1:PHE_8:HE*
1.800
6.297
medium
1:HIS+_21:HD2
1:LEU_17:HB*
1.800
6.500
very
1:TYR_1:HD*
1:TYR_1:HE*
1.000
6.500
strong
1:TYR_6:HD*
1:TYR_6:HE*
1.000
6.500
strong
1:PHE_8:HD*
1:TYR_6:HE*
1.800
7.500
medium
1:PHE_8:HE*
1:TYR_6:HE*
1.800
9.000
weak
1:TYR_6:HD*
1:PHE_8:HZ
1.800
7.000
weak
1:TYR_6:HD*
1:PHE_8:HD*
1.800
9.000
weak
1:TYR_6:HD*
1:PHE_8:HE*
1.800
9.000
weak
1:TYR_1:HD*
1:PHE_8:HD*
1.800
9.000
weak
1:TYR_1:HD*
1:PHE_8:HE*
1.800
9.000
weak
1:LEU_14:HD*
1:PHE_8:HB*
1.800
5.258
medium
1:LEU_17:HD*
1:PHE_8:HB*
1.800
8.400
weak
1:ALA_15:HB*
1:ASP-_12:HA
1.000
3.500
strong
1:LEU_14:HD*
1:TYR_1:HE*
1.800
7.836
weak
1:LEU_14:HD*
1:TYR_6:HE*
1.800
7.836
weak
1:VAL_3:HG*
1:TYR_1:HE*
1.800
7.900
medium
1:VAL_3:HG*
1:TYR_6:HE*
1.800
7.900
medium
1:LYS+_16:HN
1:LYS+_16:HA
1.800
3.500
medium
1:LEU_17:HN
1:LYS+_16:HA
1.800
3.500
medium
1:ARG+_19:HN
1:LYS+_16:HA
1.800
3.500
medium
1:ARG+_19:HN
1:ARG+_19:HA
1.800
3.500
medium
1:ARG+_19:HN
1:ALA_15:HA
1.800
5.000
weak
1:LEU_17:HN
1:LEU_14:HA
1.800
3.500
medium
1:LYS+_16:HN
1:ALA_15:HA
1.800
3.500
medium
1:LYS+_16:HN
1:GLU-_13:HA
1.800
3.500
medium
1:LEU_17:HN
1:LEU_17:HA
1.800
3.500
medium
1:ARG+_19:HN
1:LEU_18:HA
1.800
3.500
medium
1:LYS+_16:HN
1:ASP-_12:HA
1.800
5.500
very
1:ALA_15:HN
1:ASP-_12:HA
1.800
5.000
weak
1:LEU_14:HN
1:ASP-_12:HA
1.800
5.500
very
1:ALA_15:HN
1:SER_11:HA
1.800
5.500
very
1:LEU_14:HA
1:ALA_15:HN
1.800
3.500
medium
1:ALA_15:HA
1:ALA_15:HN
1.800
3.500
medium
1:LEU_18:HN
1:ALA_15:HA
1.800
3.500
medium
1:LEU_14:HN
1:LEU_14:HA
1.800
3.500
medium
1:GLN_20:HN
1:LEU_17:HA
1.800
3.500
medium
1:GLN_20:HN
1:GLN_20:HA
1.000
2.500
strong
1:LEU_18:HN
1:LEU_18:HA
1.800
3.500
medium
1:GLN_20:HN
1:LYS+_16:HA
1.800
5.000
weak
1:LEU_18:HN
1:LYS+_16:HA
1.800
5.000
weak
1:LEU_14:HN
1:SER_11:HA
1.800
5.000
weak
1:ASP-_7:HN
1:ASP-_7:HA
1.800
3.500
medium
1:PHE_8:HN
1:PHE_8:HA
1.800
3.500
medium
1:TYR_6:HN
1:SER_5:HA
1.800
3.500
medium
1:SER_11:HN
1:ARG+_10:HA
1.800
3.500
medium
1:SER_11:HN
1:SER_11:HA
1.800
3.500
medium
1:ASP-_7:HN
1:TYR_6:HA
1.000
2.500
strong
1:TYR_1:HN
1:TYR_1:HA
1.800
3.500
medium
1:ARG+_2:HN
1:TYR_1:HA
1.000
2.500
strong
1:GLU-_13:HN
1:ASP-_12:HA
1.800
3.500
medium
1:SER_5:HN
1:PRO_4:HA
1.000
2.500
strong
1:SER_5:HN
1:SER_5:HA
1.800
3.500
medium
1:SER_9:HA
1:ARG+_10:HN
1.000
2.500
strong
1:SER_9:HN
1:ASP-_7:HA
1.800
5.000
weak
1:SER_9:HN
1:PHE_8:HA
1.800
3.500
medium
1:ASP-_12:HN
1:ASP-_12:HA
1.800
3.500
medium
1:SER_9:HN
1:SER_9:HA
1.800
3.500
medium
1:GLY_23:HN
1:ALA_22:HA
1.800
3.500
medium
1:ASP-_12:HN
1:SER_11:HA
1.800
3.500
medium
1:SER_9:HN
1:SER_9:HB*
1.800
3.381
medium
1:SER_5:HN
1:SER_5:HB*
1.800
4.500
medium
1:ASP-_12:HN
1:GLU-_13:HA
1.800
5.500
very
1:GLU-_13:HN
1:GLU-_13:HA
1.800
3.500
medium
1:SER_11:HN
1:SER_11:HB*
1.800
3.388
medium
1:ARG+_10:HN
1:SER_9:HB*
1.800
4.220
medium
1:VAL_3:HN
1:PRO_4:HD*
1.800
6.000
weak
1:TYR_6:HN
1:SER_5:HB*
1.800
6.000
weak
1:SER_11:HN
1:ASP-_12:HN
1.800
3.500
medium
1:GLY_23:HN
1:ALA_22:HN
1.000
3.500
medium
1:ARG+_10:HN
1:SER_9:HN
1.800
3.500
medium
1:GLU-_13:HN
1:ASP-_12:HN
1.800
3.500
medium
1:GLN_20:HN
1:HIS+_21:HN
1.800
3.500
medium
1:SER_5:HN
1:TYR_6:HN
1.800
3.500
medium
1:PHE_8:HN
1:SER_9:HN
1.000
3.500
medium
1:GLU-_13:HN
1:ALA_15:HN
1.800
5.000
weak
1:GLU-_13:HN
1:LEU_14:HN
1.000
2.500
strong
1:ALA_15:HN
1:LEU_14:HN
1.000
2.500
strong
1:ASP-_12:HN
1:LEU_14:HN
1.800
5.000
weak
1:LYS+_16:HN
1:ALA_15:HN
1.800
3.500
medium
1:LYS+_16:HN
1:LEU_14:HN
1.800
5.000
weak
1:LEU_17:HN
1:LEU_18:HN
1.000
2.500
strong
1:GLN_20:HN
1:ARG+_19:HN
1.000
2.500
strong
1:LEU_18:HN
1:ARG+_19:HN
1.000
2.500
strong
1:LEU_17:HN
1:ALA_15:HN
1.800
5.000
weak
1:ARG+_19:HN
1:HIS+_21:HN
1.800
5.000
weak
1:GLY_23:HN
1:NH2_24:HN1
1.800
5.500
very
1:SER_9:HN
1:PHE_8:HD*
1.800
7.000
weak
1:TYR_1:HN
1:PHE_8:HD*
1.800
7.000
weak
1:TYR_6:HN
1:TYR_6:HD*
1.800
5.500
medium
1:ASP-_7:HN
1:TYR_6:HD*
1.800
7.000
weak
1:TYR_1:HN
1:TYR_1:HD*
1.800
7.000
weak
1:ARG+_2:HN
1:TYR_1:HD*
1.800
7.000
weak
1:PHE_8:HD*
1:PHE_8:HN
1.800
5.500
medium
1:PHE_8:HE*
1:PHE_8:HN
1.800
7.000
weak
1:HIS+_21:HD2
1:HIS+_21:HN
1.800
5.000
weak
1:TYR_6:HN
1:TYR_6:HE*
1.800
7.000
weak
1:TYR_1:HN
1:TYR_1:HE*
1.800
7.000
weak
1:SER_9:HN
1:PHE_8:HB*
1.800
4.228
medium
1:HIS+_21:HN
1:HIS+_21:HB*
1.800
3.390
medium
1:PHE_8:HN
1:PHE_8:HB*
1.800
3.391
medium
1:PHE_8:HN
1:ASP-_7:HB*
1.800
4.922
weak
1:ASP-_7:HN
1:ASP-_7:HB*
1.800
3.388
medium
1:GLN_20:HN
1:GLN_20:HG*
1.800
3.389
medium
1:SER_5:HN
1:PRO_4:HB*
1.800
4.222
weak
1:GLU-_13:HN
1:GLU-_13:HG*
1.800
4.500
medium
1:GLU-_13:HN
1:ASP-_12:HB*
1.800
4.500
medium
1:TYR_1:HN
1:PHE_8:HB*
1.800
4.924
weak
1:ARG+_19:HN
1:ARG+_19:HD*
1.800
6.000
weak
1:ARG+_2:HN
1:ARG+_2:HD*
1.800
6.000
weak
1:VAL_3:HN
1:ARG+_2:HD*
1.800
6.000
weak
1:TYR_6:HN
1:TYR_6:HB*
1.800
3.390
medium
1:ARG+_2:HN
1:TYR_1:HB*
1.800
3.390
medium
1:ASP-_12:HN
1:ASP-_12:HB*
1.000
3.500
strong
1:TYR_1:HN
1:TYR_1:HB*
1.800
3.390
medium
1:ASP-_7:HN
1:TYR_6:HB*
1.800
3.390
medium
1:LEU_14:HN
1:ALA_15:HB*
1.800
6.000
weak
1:ARG+_2:HN
1:ARG+_2:HG*
1.800
4.500
medium
1:ARG+_2:HN
1:ARG+_2:HB*
1.800
3.383
medium
1:ARG+_10:HN
1:ARG+_10:HB*
1.800
4.500
medium
1:ARG+_10:HN
1:ARG+_10:HG*
1.800
4.500
medium
1:ALA_22:HN
1:ALA_22:HB*
1.800
4.500
medium
1:VAL_3:HN
1:ARG+_2:HB*
1.800
4.919
weak
1:SER_11:HN
1:ARG+_10:HG*
1.800
4.500
medium
1:ASP-_12:HN
1:GLU-_13:HB*
1.800
6.000
weak
1:SER_9:HN
1:ARG+_10:HB*
1.800
4.921
weak
1:SER_9:HN
1:ARG+_10:HG*
1.800
6.000
weak
1:ASP-_12:HN
1:ALA_15:HB*
1.800
6.000
weak
1:GLY_23:HN
1:ALA_22:HB*
1.800
6.000
weak
1:ALA_15:HN
1:ALA_15:HB*
1.000
3.500
strong
1:VAL_3:HN
1:VAL_3:HB
1.800
3.500
medium
1:GLU-_13:HN
1:GLU-_13:HB*
1.000
3.500
strong
1:GLN_20:HN
1:ARG+_19:HB*
1.800
4.500
medium
1:GLN_20:HN
1:ARG+_19:HG*
1.800
4.500
medium
1:LEU_18:HN
1:LEU_18:HB*
1.800
4.500
medium
1:LEU_18:HN
1:ARG+_19:HB*
1.800
6.000
weak
1:ALA_15:HN
1:GLU-_13:HB*
1.800
6.000
weak
1:ALA_15:HN
1:ARG+_19:HB*
1.800
6.000
weak
1:LYS+_16:HN
1:ALA_15:HB*
1.800
4.500
medium
1:LYS+_16:HN
1:LYS+_16:HG*
1.800
4.225
medium
1:LEU_17:HN
1:LYS+_16:HG*
1.800
4.225
medium
1:LYS+_16:HN
1:LYS+_16:HD*
1.800
4.500
medium
1:LEU_17:HN
1:LEU_17:HG
1.800
3.500
medium
1:ARG+_19:HN
1:ARG+_19:HG*
1.800
3.391
medium
1:LEU_17:HN
1:LEU_17:HB*
1.000
2.912
strong
1:ARG+_19:HN
1:ARG+_19:HB*
1.000
3.500
strong
1:LEU_17:HN
1:LYS+_16:HB*
1.800
4.500
medium
1:LYS+_16:HN
1:LYS+_16:HB*
1.000
3.500
strong
1:ARG+_19:HN
1:LEU_18:HB*
1.800
3.393
medium
1:VAL_3:HN
1:VAL_3:HG*
1.800
5.900
medium
1:ARG+_2:HN
1:VAL_3:HG*
1.800
7.400
weak
1:SER_5:HN
1:VAL_3:HG*
1.800
7.400
weak
1:ARG+_10:HB*
1:ARG+_10:HE
1.800
4.921
weak
1:GLN_20:HE21
1:GLN_20:HG*
1.800
4.923
weak
1:GLN_20:HE22
1:GLN_20:HG*
1.800
5.430
very
1:ARG+_19:HB*
1:ARG+_19:HE
1.800
6.000
weak
1:ARG+_19:HG*
1:ARG+_19:HE
1.800
4.924
weak
1:ARG+_2:HB*
1:ARG+_2:HE
1.800
4.919
weak
1:ARG+_2:HG*
1:ARG+_2:HE
1.800
6.000
weak
1:ARG+_2:HE
1:ARG+_2:HD*
1.800
4.500
medium
1:ARG+_10:HE
1:ARG+_10:HD*
1.800
4.500
medium
1:ARG+_19:HE
1:ARG+_19:HD*
1.800
4.500
medium
1:ARG+_10:HE
1:ARG+_10:HA
1.800
5.000
weak
1:ARG+_19:HE
1:LYS+_16:HA
1.800
5.000
weak
1:ARG+_10:HG*
1:ARG+_10:HE
1.800
4.500
medium
1:SER_11:HN
1:ARG+_10:HB*
1.800
4.224
medium
1:ARG+_2:HA
1:VAL_3:HN
1.000
2.500
strong
1:LEU_18:HA
1:HIS+_21:HN
1.800
3.500
medium
1:PHE_8:HN
1:ARG+_2:HA
1.800
5.000
weak
1:PHE_8:HN
1:TYR_1:HN
1.800
5.000
weak
1:ARG+_10:HN
1:SER_11:HN
1.800
5.000
weak
1:ASP-_7:HA
1:PHE_8:HN
1.800
3.500
medium
1:LEU_14:HA
1:LEU_18:HN
1.800
5.000
weak
1:LYS+_16:HN
1:LEU_17:HN
1.800
3.500
medium
1:LEU_17:HN
1:ARG+_19:HN
1.800
5.000
weak
1:LYS+_16:HN
1:LEU_18:HN
1.800
5.000
weak
1:SER_11:HA
1:LEU_14:HB*
1.800
4.500
medium
1:TYR_1:HE*
1:LEU_14:HG
1.800
7.000
weak





 
 
 
 
Distance Restraints for BBA5


1



  Entry H atom name         Submitted Coord H atom name
    1   1H    ACE   0          1HA       ACE   0  56.566 -42.168  -5.795
    2   2H    ACE   0          2HA       ACE   0  55.915 -43.825  -5.895
    3   3H    ACE   0          3HA       ACE   0  57.690 -43.560  -5.940
    4    H    TYR   1           H        TYR   1  57.144 -42.358  -2.233
    5    HA   TYR   1           HA       TYR   1  59.250 -42.218  -4.249
    6   1HB   TYR   1          2HB       TYR   1  59.087 -39.593  -4.222
    7   2HB   TYR   1          1HB       TYR   1  57.945 -40.517  -5.180
    8    HD1  TYR   1           HD1      TYR   1  58.250 -38.522  -1.998
    9    HD2  TYR   1           HD2      TYR   1  55.487 -40.453  -4.680
   10    HE1  TYR   1           HE1      TYR   1  56.393 -37.327  -0.981
   11    HE2  TYR   1           HE2      TYR   1  53.670 -39.242  -3.635
   12    HH   TYR   1           HH       TYR   1  53.058 -37.795  -2.092
   13    H    ARG   2           H        ARG   2  61.233 -41.536  -3.303
   14    HA   ARG   2           HA       ARG   2  62.306 -42.317  -1.062
   15   1HB   ARG   2          2HB       ARG   2  62.648 -39.415  -1.888
   16   2HB   ARG   2          1HB       ARG   2  63.544 -39.974  -0.534
   17   1HG   ARG   2          2HG       ARG   2  63.850 -41.432  -3.242
   18   2HG   ARG   2          1HG       ARG   2  64.692 -39.936  -2.877
   19   1HD   ARG   2          1HD       ARG   2  65.776 -41.057  -0.815
   20   2HD   ARG   2          2HD       ARG   2  65.024 -42.559  -1.271
   21    HE   ARG   2           HE       ARG   2  66.347 -41.831  -3.651
   22   1HH1  ARG   2          1HH2      ARG   2  67.584 -42.257  -0.294
   23   2HH1  ARG   2          2HH2      ARG   2  69.227 -42.699  -0.982
   24   1HH2  ARG   2          1HH1      ARG   2  68.237 -42.344  -4.250
   25   2HH2  ARG   2          2HH1      ARG   2  69.562 -42.742  -3.045
   26    H    VAL   3           H        VAL   3  61.953 -42.282   1.199
   27    HA   VAL   3           HA       VAL   3  61.341 -39.664   2.542
   28    HB   VAL   3           HB       VAL   3  59.638 -41.923   3.239
   29   1HG1  VAL   3          1HG2      VAL   3  58.340 -40.460   4.814
   30   2HG1  VAL   3          2HG2      VAL   3  60.066 -40.593   5.219
   31   3HG1  VAL   3          3HG2      VAL   3  59.462 -39.103   4.432
   32   1HG2  VAL   3          1HG1      VAL   3  58.570 -40.988   1.184
   33   2HG2  VAL   3          2HG1      VAL   3  57.574 -40.238   2.433
   34   3HG2  VAL   3          3HG1      VAL   3  58.883 -39.328   1.655
   35    HA   DPR   4           HA       PRO   4  64.081 -41.210   5.609
   36   1HB   DPR   4          1HB       PRO   4  65.178 -39.220   5.176
   37   2HB   DPR   4          2HB       PRO   4  66.570 -40.281   4.874
   38   1HG   DPR   4          1HG       PRO   4  66.311 -40.077   2.483
   39   2HG   DPR   4          2HG       PRO   4  65.727 -38.463   2.979
   40   1HD   DPR   4          1HD       PRO   4  64.103 -40.510   1.612
   41   2HD   DPR   4          2HD       PRO   4  63.436 -39.108   2.469
   42    H    SER   5           H        SER   5  64.196 -43.416   5.884
   43    HA   SER   5           HA       SER   5  66.121 -45.093   4.185
   44   1HB   SER   5          2HB       SER   5  64.707 -45.778   6.827
   45   2HB   SER   5          1HB       SER   5  65.762 -46.877   5.921
   46    HG   SER   5           HG       SER   5  66.864 -45.743   7.548
   47    H    TYR   6           H        TYR   6  64.738 -44.406   2.548
   48    HA   TYR   6           HA       TYR   6  63.065 -46.623   1.545
   49   1HB   TYR   6          1HB       TYR   6  61.709 -44.083   2.439
   50   2HB   TYR   6          2HB       TYR   6  61.124 -44.955   1.028
   51    HD1  TYR   6           HD1      TYR   6  60.812 -44.897   4.602
   52    HD2  TYR   6           HD2      TYR   6  60.519 -47.455   1.140
   53    HE1  TYR   6           HE1      TYR   6  59.368 -46.328   5.763
   54    HE2  TYR   6           HE2      TYR   6  59.127 -48.911   2.302
   55    HH   TYR   6           HH       TYR   6  58.051 -49.349   4.291
   56    H    ASP   7           H        ASP   7  63.067 -46.610  -0.535
   57    HA   ASP   7           HA       ASP   7  62.655 -44.131  -2.121
   58   1HB   ASP   7          1HB       ASP   7  64.056 -44.463  -3.829
   59   2HB   ASP   7          2HB       ASP   7  65.010 -44.466  -2.344
   60    H    PHE   8           H        PHE   8  60.606 -44.803  -1.764
   61    HA   PHE   8           HA       PHE   8  59.430 -47.401  -1.723
   62   1HB   PHE   8          1HB       PHE   8  58.201 -44.740  -2.159
   63   2HB   PHE   8          2HB       PHE   8  57.245 -46.180  -2.016
   64    HD1  PHE   8           HD1      PHE   8  59.260 -43.682  -0.218
   65    HD2  PHE   8           HD2      PHE   8  56.982 -47.338   0.200
   66    HE1  PHE   8           HE1      PHE   8  58.634 -43.108   1.899
   67    HE2  PHE   8           HE2      PHE   8  56.332 -46.651   2.373
   68    HZ   PHE   8           HZ       PHE   8  57.175 -44.439   3.280
   69    H    SER   9           H        SER   9  59.039 -45.231  -4.528
   70    HA   SER   9           HA       SER   9  58.343 -45.558  -6.735
   71   1HB   SER   9          1HB       SER   9  60.426 -46.570  -7.050
   72   2HB   SER   9          2HB       SER   9  59.790 -48.159  -6.509
   73    HG   SER   9           HG       SER   9  59.825 -47.933  -8.808
   74    H    ARG  10           H        ARG  10  56.466 -45.551  -5.406
   75    HA   ARG  10           HA       ARG  10  54.417 -47.786  -5.778
   76   1HB   ARG  10          1HB       ARG  10  55.404 -46.716  -3.161
   77   2HB   ARG  10          2HB       ARG  10  53.844 -47.506  -3.322
   78   1HG   ARG  10          1HG       ARG  10  56.541 -48.851  -3.892
   79   2HG   ARG  10          2HG       ARG  10  55.685 -48.905  -2.364
   80   1HD   ARG  10          2HD       ARG  10  55.197 -51.005  -3.308
   81   2HD   ARG  10          1HD       ARG  10  53.717 -50.091  -3.608
   82    HE   ARG  10           HE       ARG  10  55.566 -49.897  -5.909
   83   1HH1  ARG  10          1HH1      ARG  10  53.130 -52.158  -4.520
   84   2HH1  ARG  10          2HH1      ARG  10  52.904 -52.898  -6.183
   85   1HH2  ARG  10          2HH2      ARG  10  55.195 -50.833  -7.693
   86   2HH2  ARG  10          1HH2      ARG  10  53.983 -52.204  -7.835
   87    H    SER  11           H        SER  11  54.539 -44.693  -4.039
   88    HA   SER  11           HA       SER  11  52.939 -43.128  -3.552
   89   1HB   SER  11          1HB       SER  11  52.214 -41.673  -5.306
   90   2HB   SER  11          2HB       SER  11  53.886 -42.182  -5.568
   91    HG   SER  11           HG       SER  11  51.566 -43.314  -6.786
   92    H    ASP  12           H        ASP  12  51.817 -45.880  -3.885
   93    HA   ASP  12           HA       ASP  12  48.999 -45.108  -3.069
   94   1HB   ASP  12          2HB       ASP  12  48.947 -46.328  -5.273
   95   2HB   ASP  12          1HB       ASP  12  49.730 -47.711  -4.495
   96    H    GLU  13           H        GLU  13  51.801 -47.284  -2.655
   97    HA   GLU  13           HA       GLU  13  51.121 -48.151   0.121
   98   1HB   GLU  13          2HB       GLU  13  52.871 -49.286  -1.720
   99   2HB   GLU  13          1HB       GLU  13  53.968 -48.076  -1.137
  100   1HG   GLU  13          1HG       GLU  13  54.556 -49.978  -0.043
  101   2HG   GLU  13          2HG       GLU  13  53.742 -49.010   1.190
  102    H    LEU  14           H        LEU  14  53.024 -45.506  -1.344
  103    HA   LEU  14           HA       LEU  14  53.643 -44.340   1.398
  104   1HB   LEU  14          1HB       LEU  14  55.571 -44.562   0.123
  105   2HB   LEU  14          2HB       LEU  14  54.934 -43.853  -1.309
  106    HG   LEU  14           HG       LEU  14  56.721 -42.602   0.032
  107   1HD1  LEU  14          1HD2      LEU  14  55.493 -41.517  -1.755
  108   2HD1  LEU  14          2HD2      LEU  14  55.968 -40.388  -0.477
  109   3HD1  LEU  14          3HD2      LEU  14  54.270 -40.939  -0.610
  110   1HD2  LEU  14          1HD1      LEU  14  54.642 -42.428   2.236
  111   2HD2  LEU  14          2HD1      LEU  14  55.619 -40.988   1.980
  112   3HD2  LEU  14          3HD1      LEU  14  56.385 -42.506   2.358
  113    H    ALA  15           H        ALA  15  51.018 -44.203  -0.486
  114    HA   ALA  15           HA       ALA  15  50.302 -41.336   0.195
  115   1HB   ALA  15          1HB       ALA  15  48.872 -43.522  -1.493
  116   2HB   ALA  15          2HB       ALA  15  49.705 -42.094  -2.191
  117   3HB   ALA  15          3HB       ALA  15  48.232 -41.894  -1.158
  118    H    LYS  16           H        LYS  16  49.801 -44.845   0.629
  119    HA   LYS  16           HA       LYS  16  47.777 -44.907   2.424
  120   1HB   LYS  16          1HB       LYS  16  49.583 -46.687   1.308
  121   2HB   LYS  16          2HB       LYS  16  50.361 -46.544   2.851
  122   1HG   LYS  16          2HG       LYS  16  48.423 -47.441   4.022
  123   2HG   LYS  16          1HG       LYS  16  47.468 -47.466   2.521
  124   1HD   LYS  16          1HD       LYS  16  49.268 -49.048   1.512
  125   2HD   LYS  16          2HD       LYS  16  50.017 -49.125   3.103
  126   1HE   LYS  16          2HE       LYS  16  47.142 -50.032   2.446
  127   2HE   LYS  16          1HE       LYS  16  48.570 -51.057   2.309
  128   1HZ   LYS  16          1HZ       LYS  16  47.464 -51.415   4.432
  129   2HZ   LYS  16          2HZ       LYS  16  47.644 -49.831   4.863
  130   3HZ   LYS  16          3HZ       LYS  16  48.974 -50.797   4.695
  131    H    LEU  17           H        LEU  17  51.158 -44.379   3.229
  132    HA   LEU  17           HA       LEU  17  51.002 -44.262   6.071
  133   1HB   LEU  17          1HB       LEU  17  53.100 -43.243   4.257
  134   2HB   LEU  17          2HB       LEU  17  53.287 -43.154   6.000
  135    HG   LEU  17           HG       LEU  17  52.781 -45.856   4.705
  136   1HD1  LEU  17          1HD2      LEU  17  55.604 -44.645   4.949
  137   2HD1  LEU  17          2HD2      LEU  17  55.236 -46.311   4.421
  138   3HD1  LEU  17          3HD2      LEU  17  54.724 -44.933   3.436
  139   1HD2  LEU  17          1HD1      LEU  17  52.698 -45.765   7.216
  140   2HD2  LEU  17          2HD1      LEU  17  54.378 -45.185   7.266
  141   3HD2  LEU  17          3HD1      LEU  17  54.013 -46.830   6.668
  142    H    LEU  18           H        LEU  18  51.090 -41.792   3.592
  143    HA   LEU  18           HA       LEU  18  50.739 -39.320   5.261
  144   1HB   LEU  18          2HB       LEU  18  50.822 -39.991   2.217
  145   2HB   LEU  18          1HB       LEU  18  50.116 -38.507   2.720
  146    HG   LEU  18           HG       LEU  18  52.315 -37.851   3.872
  147   1HD1  LEU  18          1HD1      LEU  18  54.492 -39.024   3.247
  148   2HD1  LEU  18          2HD1      LEU  18  53.531 -40.293   2.432
  149   3HD1  LEU  18          3HD1      LEU  18  53.427 -40.086   4.184
  150   1HD2  LEU  18          1HD2      LEU  18  52.546 -38.412   0.838
  151   2HD2  LEU  18          2HD2      LEU  18  51.733 -37.012   1.573
  152   3HD2  LEU  18          3HD2      LEU  18  53.483 -37.196   1.744
  153    H    ARG  19           H        ARG  19  48.584 -41.643   3.756
  154    HA   ARG  19           HA       ARG  19  46.006 -40.258   4.197
  155   1HB   ARG  19          1HB       ARG  19  47.061 -43.025   3.330
  156   2HB   ARG  19          2HB       ARG  19  45.458 -43.010   3.928
  157   1HG   ARG  19          1HG       ARG  19  44.802 -41.260   2.273
  158   2HG   ARG  19          2HG       ARG  19  46.471 -41.234   1.664
  159   1HD   ARG  19          2HD       ARG  19  46.291 -43.640   0.952
  160   2HD   ARG  19          1HD       ARG  19  44.621 -43.709   1.549
  161    HE   ARG  19           HE       ARG  19  45.406 -41.662  -0.584
  162   1HH1  ARG  19          2HH1      ARG  19  43.311 -44.487   0.191
  163   2HH1  ARG  19          1HH1      ARG  19  42.409 -44.222  -1.385
  164   1HH2  ARG  19          1HH2      ARG  19  44.291 -41.500  -2.299
  165   2HH2  ARG  19          2HH2      ARG  19  42.924 -42.663  -2.680
  166    H    GLN  20           H        GLN  20  47.717 -42.886   5.848
  167    HA   GLN  20           HA       GLN  20  46.270 -42.987   8.243
  168   1HB   GLN  20          1HB       GLN  20  49.203 -43.637   7.718
  169   2HB   GLN  20          2HB       GLN  20  48.532 -43.902   9.309
  170   1HG   GLN  20          2HG       GLN  20  47.436 -45.284   6.816
  171   2HG   GLN  20          1HG       GLN  20  48.743 -45.927   7.788
  172   1HE2  GLN  20          1HE2      GLN  20  48.217 -46.793   9.884
  173   2HE2  GLN  20          2HE2      GLN  20  46.477 -47.101  10.378
  174    H    HIS  21           H        HIS  21  49.049 -40.823   7.597
  175    HA   HIS  21           HA       HIS  21  48.718 -39.361  10.252
  176   1HB   HIS  21          1HB       HIS  21  50.819 -39.163   8.000
  177   2HB   HIS  21          2HB       HIS  21  50.696 -37.965   9.266
  178    HD1  HIS  21           HD1      HIS  21  51.261 -38.781  11.877
  179    HD2  HIS  21           HD2      HIS  21  52.024 -41.480   8.623
  180    HE1  HIS  21           HE1      HIS  21  52.821 -40.689  12.637
  181    HE2  HIS  21           HE2      HIS  21  53.344 -42.371  10.754
  182    H    ALA  22           H        ALA  22  46.742 -38.450   9.959
  183    HA   ALA  22           HA       ALA  22  46.388 -36.302   7.817
  184   1HB   ALA  22          1HB       ALA  22  44.045 -36.974   7.439
  185   2HB   ALA  22          2HB       ALA  22  44.213 -38.314   8.606
  186   3HB   ALA  22          3HB       ALA  22  45.155 -38.325   7.092
  187    H    GLY  23           H        GLY  23  45.192 -37.294  11.039
  188   1HA   GLY  23          2HA       GLY  23  45.295 -34.579  12.100
  189   2HA   GLY  23          1HA       GLY  23  43.639 -34.866  11.559
  190   1HN   NH2  24          1HN       NH2  24  43.684 -34.288  13.996
  191   2HN   NH2  24          2HN       NH2  24  43.566 -35.733  15.121