*HEADER   FIMBRIAL PROTEIN                        05-OCT-95   1NIL    
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: PAK PILIN, TRANS;                                
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 DOMAIN: RESIDUES 128 - 144 (ACE-KCTSDQDEQFIPKGCSK-OH);     
*COMPND  5 SYNONYM: FIMBRIAL PROTEIN;                                 
*COMPND  6 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA;               
*SOURCE  4 STRAIN: K                                                  
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   A.P.CAMPBELL,C.MCINNES,R.S.HODGES,B.D.SYKES                 
*REVDAT  1   29-JAN-96 1NIL    0                                      


!BIOSYM restraint 1
! pak_128-114.rstrnt 
! contains replacement data for 1NIL-MR and 1NIM
! pseudo-atom corrected
! stereosp assign for LYS_128, CYS_129, GLN_133, ASP_134, GLU_135, PHE_137, PRO_139, GLY_141, and CYS_142
! LYS_128:HB1=HBS,HB2=HBR
! CYS_129:HB1=HBS,HB2=HBR; CYS_142:HB1=HBS,HB2=HBR
! GLN_133:HB1=HBS,HB2=HBR
! ASP_134:HB1=HBS,HB2=HBR
! GLU_135:HB1=HBS,HB2=HBR
! PHE_137:HB1=HBS,HB2=HBR
! PRO_139:HB1=HBS,HB2=HBR; HD1=HDR,HD2=HDS.
! GLY_141:HA1=HAS,HA2=HAR
!
#chiral
1:LYS_128:CA       S
1:CYS_129:CA       R
1:THR_130:CA       S
1:THR_130:CB       R
1:SER_131:CA       S
1:ASP_132:CA       S
1:GLN_133:CA       S
1:ASP_134:CA       S
1:GLU_135:CA       S
1:GLN_136:CA       S
1:PHE_137:CA       S
1:ILE_138:CA       S
1:ILE_138:CB       S
1:PRO_139:CA       S
1:LYS_140:CA       S
1:CYS_142:CA       R
1:SER_143:CA       S
1:LYS_144:CA       S
!
#distance
1:PRO_139:O        1:CYS_142:HN        1.800  2.500 10.00 10.00 1000.000
1:PRO_139:O        1:CYS_142:N         1.800  3.000 10.00 10.00 1000.000
1:ASP_134:O        1:PHE_137:HN        1.800  2.500 10.00 10.00 1000.000
1:ASP_134:O        1:PHE_137:N         1.800  3.000 10.00 10.00 1000.000
!
#NOE_distance
1:PHE_137:HD*      1:PHE_137:HBS      -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:ILE_138:HN       1:PRO_139:HDR       2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_138:HN       1:PRO_139:HDS       2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HN       1:PHE_137:HBR      -1.000  3.600  2.700 10.00 10.00 1000.000  0.00
1:PHE_137:HN       1:PHE_137:HBS      -1.000  3.000  2.700 10.00 10.00 1000.000  0.00
1:PHE_137:HN       1:GLU_135:HG*       2.300  6.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HN       1:GLU_135:HBS      -1.000  5.500  3.300 10.00 10.00 1000.000  0.00
1:ILE_138:HN       1:ILE_138:HB       -1.000  3.800  2.700 10.00 10.00 1000.000  0.00
1:ILE_138:HN       1:ILE_138:HG11     -1.000  4.000  2.700 10.00 10.00 1000.000  0.00
1:ILE_138:HN       1:ILE_138:HG12     -1.000  4.000  3.300 10.00 10.00 1000.000  0.00
1:ILE_138:HN       1:ILE_138:HD1*     -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:CYS_142:HN       1:CYS_142:HA       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:CYS_142:HN       1:LYS_140:HA        2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLU_135:HA       1:PHE_137:HN       -1.000  4.500  3.300 10.00 10.00 1000.000  0.00
1:CYS_142:HN       1:GLY_141:HAS      -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:CYS_142:HN       1:GLY_141:HAR      -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:CYS_142:HN       1:CYS_142:HBS      -1.000  2.800  2.700 10.00 10.00 1000.000  0.00
1:CYS_142:HN       1:CYS_142:HBR      -1.000  2.800  2.700 10.00 10.00 1000.000  0.00
1:CYS_142:HN       1:PRO_139:HG1       2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_142:HN       1:PRO_139:HBS       2.300  6.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_142:HN       1:ILE_138:HB        2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_142:HN       1:ILE_138:HD1*      2.300  6.500  5.000 10.00 10.00 1000.000  0.00
1:LYS_144:HN       1:SER_143:HA       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:LYS_144:HN       1:LYS_144:HA       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:LYS_144:HN       1:SER_143:HB*      -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:LYS_144:HN       1:LYS_144:HG*      -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:THR_130:HN       1:CYS_129:HA       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:THR_130:HN       1:THR_130:HA       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:THR_130:HN       1:THR_130:HB       -1.000  4.000  3.300 10.00 10.00 1000.000  0.00
1:THR_130:HN       1:CYS_129:HBS      -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:THR_130:HN       1:CYS_129:HBR      -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:THR_130:HN       1:THR_130:HG2*     -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:GLN_133:HN       1:ASP_132:HA       -2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_133:HN       1:GLN_133:HA        2.700  3.300  2.700 10.00 10.00 1000.000  0.00
1:GLN_133:HN       1:ASP_132:HB*      -1.000  3.700  2.700 10.00 10.00 1000.000  0.00
1:GLN_133:HN       1:GLN_133:HG*      -1.000  4.500  2.700 10.00 10.00 1000.000  0.00
1:GLN_133:HN       1:GLN_133:HBS      -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:GLN_133:HN       1:GLN_133:HBR      -1.000  3.500  2.700 10.00 10.00 1000.000  0.00
1:ASP_134:HN       1:ASP_134:HA        2.700  3.300  2.700 10.00 10.00 1000.000  0.00
1:ASP_134:HN       1:GLN_133:HA       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ASP_134:HN       1:ASP_134:HBS      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ASP_134:HN       1:ASP_134:HBR      -1.000  3.900  2.700 10.00 10.00 1000.000  0.00
1:GLU_135:HN       1:GLU_135:HA        2.700  3.300  2.700 10.00 10.00 1000.000  0.00
1:GLU_135:HN       1:ASP_134:HA       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:GLU_135:HN       1:GLU_135:HG*      -1.000  4.500  2.700 10.00 10.00 1000.000  0.00
1:GLU_135:HN       1:GLU_135:HBS      -1.000  4.000  3.300 10.00 10.00 1000.000  0.00
1:GLU_135:HN       1:GLU_135:HBR      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:LYS_128:HN       1:LYS_128:HA       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:LYS_128:HN       1:LYS_128:HD*      -1.000  5.000  2.700 10.00 10.00 1000.000  0.00
1:LYS_128:HN       1:LYS_128:HG*      -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:SER_143:HN       1:CYS_142:HA       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:SER_143:HN       1:CYS_142:HBS      -1.000  4.000  3.300 10.00 10.00 1000.000  0.00
1:SER_143:HN       1:CYS_142:HBR      -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ASP_132:HN       1:ASP_132:HA       -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:ASP_132:HN       1:ASP_132:HB*      -1.000  4.300  2.700 10.00 10.00 1000.000  0.00
1:SER_131:HN       1:THR_130:HA       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:SER_131:HN       1:THR_130:HG2*     -1.000  4.800  3.300 10.00 10.00 1000.000  0.00
1:GLN_136:HN       1:GLU_135:HA       -1.000  4.000  2.700 10.00 10.00 1000.000  0.00
1:GLN_136:HN       1:GLN_136:HG*      -1.000  4.300  2.700 10.00 10.00 1000.000  0.00
1:GLN_136:HN       1:GLN_136:HB*      -1.000  4.300  2.700 10.00 10.00 1000.000  0.00
1:PHE_137:HN       1:PHE_137:HA        2.700  3.300  2.700 10.00 10.00 1000.000  0.00
1:ILE_138:HN       1:ILE_138:HA       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:ILE_138:HN       1:PHE_137:HA       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_137:HN       1:GLN_136:HA        2.300  3.600  2.700 10.00 10.00 1000.000  0.00
1:LYS_140:HN       1:PRO_139:HA       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:LYS_140:HN       1:LYS_140:HA       -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:LYS_140:HN       1:PRO_139:HBR      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:LYS_140:HN       1:LYS_140:HG*      -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:GLY_141:HN       1:LYS_140:HA       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:GLY_141:HN       1:GLY_141:HAS      -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:GLY_141:HN       1:GLY_141:HAR      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:GLY_141:HN       1:LYS_140:HB*      -1.000  4.300  2.700 10.00 10.00 1000.000  0.00
1:GLY_141:HN       1:LYS_140:HG*      -1.000  4.600  3.300 10.00 10.00 1000.000  0.00
1:GLY_141:HN       1:ILE_138:HD1*      2.300  6.500  5.000 10.00 10.00 1000.000  0.00
1:CYS_129:HN       1:CYS_129:HA       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:CYS_129:HN       1:LYS_128:HA       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:CYS_129:HN       1:CYS_129:HBS      -1.000  3.000  3.300 10.00 10.00 1000.000  0.00
1:CYS_129:HN       1:CYS_129:HBR      -1.000  4.000  2.700 10.00 10.00 1000.000  0.00
1:CYS_129:HN       1:LYS_128:HBS       2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_129:HN       1:LYS_128:HBR      -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:CYS_129:HN       1:LYS_128:HG*      -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:CYS_129:HN       1:THR_130:HG2*      2.300  6.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HN       1:GLN_136:HN       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_137:HN       1:PHE_137:HD*      -1.000  5.300  3.300 10.00 10.00 1000.000  0.00
1:PHE_137:HN       1:PHE_137:HE*      -1.000  7.500  3.300 10.00 10.00 1000.000  0.00
1:CYS_142:HN       1:GLY_141:HN       -1.000  2.500  3.300 10.00 10.00 1000.000  0.00
1:CYS_142:HN       1:SER_143:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:LYS_144:HN       1:SER_143:HN       -1.000  4.000  4.000 10.00 10.00 1000.000  0.00
1:THR_130:HN       1:SER_131:HN        2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_131:HN       1:ASP_132:HN       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:GLN_133:HN       1:ASP_132:HN       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:THR_130:HN       1:CYS_129:HN       -1.000  3.300  3.300 10.00 10.00 1000.000  0.00
1:LYS_128:HN       1:CYS_129:HN        2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_133:HN       1:ASP_134:HN        2.300  5.000  3.300 10.00 10.00 1000.000  0.00
1:GLY_141:HN       1:LYS_140:HN        3.300  5.000  3.300 10.00 10.00 1000.000  0.00
1:CYS_142:HN       1:LYS_140:HN       -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:PHE_137:HD*      1:PHE_137:HA       -1.000  4.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_137:HD*      1:ILE_138:HA        2.300  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HD*      1:PRO_139:HDR       2.300  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HD*      1:ASP_134:HBS       2.300  6.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HD*      1:ASP_134:HBR       2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HD*      1:PRO_139:HBR       2.300  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HD*      1:PRO_139:HG1       2.300  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HD*      1:PRO_139:HG2       2.300  7.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HD*      1:PRO_139:HBS       2.300  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HD*      1:ILE_138:HG11      2.300  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HD*      1:ILE_138:HG2*      2.300  8.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HZ       1:PRO_139:HA        2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HE*      1:PRO_139:HA        2.300  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HE*      1:PHE_137:HBR       2.300  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HE*      1:PHE_137:HBS       2.300  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HE*      1:ASP_134:HBR       2.300  6.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HE*      1:PRO_139:HBR       2.300  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HE*      1:PRO_139:HG1       2.300  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HE*      1:PRO_139:HG2       2.300  7.000  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HE*      1:PRO_139:HBS       2.300  7.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_129:HA       1:CYS_129:HBS      -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:CYS_129:HA       1:CYS_142:HBS       2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_129:HA       1:CYS_129:HBR      -1.000  2.800  2.700 10.00 10.00 1000.000  0.00
1:CYS_129:HA       1:THR_130:HG2*      2.300  6.500  5.000 10.00 10.00 1000.000  0.00
1:CYS_142:HA       1:CYS_142:HBS      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:CYS_142:HA       1:CYS_142:HBR      -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:CYS_142:HA       1:ILE_138:HD1*      2.300  6.500  5.000 10.00 10.00 1000.000  0.00
1:PHE_137:HA       1:PHE_137:HBR      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:PHE_137:HA       1:PHE_137:HBS      -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:PHE_137:HA       1:GLN_136:HB*       2.300  6.000  5.000 10.00 10.00 1000.000  0.00
1:ASP_134:HA       1:GLU_135:HG*       2.300  5.500  5.000 10.00 10.00 1000.000  0.00
1:ASP_134:HA       1:GLU_135:HBS       2.300  6.000  5.000 10.00 10.00 1000.000  0.00
1:ASP_134:HA       1:GLU_135:HBR       2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_143:HA       1:CYS_142:HBR       2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:SER_131:HA       1:ASP_132:HB*       2.300  6.000  5.000 10.00 10.00 1000.000  0.00
1:THR_130:HA       1:THR_130:HB       -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:THR_130:HA       1:THR_130:HG2*     -1.000  4.200  2.700 10.00 10.00 1000.000  0.00
1:ILE_138:HA       1:PRO_139:HDR      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ILE_138:HA       1:PRO_139:HDS      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:ILE_138:HA       1:ILE_138:HG12     -1.000  4.500  2.700 10.00 10.00 1000.000  0.00
1:ILE_138:HA       1:ILE_138:HD1*     -1.000  4.800  2.700 10.00 10.00 1000.000  0.00
1:PRO_139:HA       1:PRO_139:HBR      -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:GLN_133:HA       1:GLN_133:HG*      -1.000  4.300  2.700 10.00 10.00 1000.000  0.00
1:GLN_133:HA       1:GLN_133:HBS      -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:GLN_133:HA       1:GLN_133:HBR      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:GLU_135:HA       1:GLU_135:HG*      -1.000  4.300  2.700 10.00 10.00 1000.000  0.00
1:GLU_135:HA       1:GLU_135:HBS      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:GLU_135:HA       1:GLU_135:HBR      -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:GLU_135:HA       1:ILE_138:HG2*     -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:LYS_140:HA       1:LYS_140:HD*       2.300  6.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_136:HA       1:GLN_136:HG*      -1.000  4.300  2.700 10.00 10.00 1000.000  0.00
1:LYS_144:HA       1:LYS_144:HD*      -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:LYS_144:HA       1:LYS_144:HG*      -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:PRO_139:HA       1:CYS_142:HBR       2.300  6.000  5.000 10.00 10.00 1000.000  0.00
1:PRO_139:HDR      1:CYS_142:HBR       2.300  6.000  5.000 10.00 10.00 1000.000  0.00
1:PRO_139:HDS      1:CYS_142:HBS       2.300  6.000  5.000 10.00 10.00 1000.000  0.00
1:PRO_139:HDS      1:CYS_142:HBR       2.300  6.000  5.000 10.00 10.00 1000.000  0.00
1:PRO_139:HDR      1:PRO_139:HBR      -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:PRO_139:HDR      1:PRO_139:HBS      -1.000  3.300  2.700 10.00 10.00 1000.000  0.00
1:PRO_139:HDR      1:ILE_138:HB       -1.000  4.000  3.300 10.00 10.00 1000.000  0.00
1:PRO_139:HDR      1:ILE_138:HD1*     -1.000  6.000  3.300 10.00 10.00 1000.000  0.00
1:PRO_139:HDS      1:PRO_139:HBR      -1.000  4.300  3.300 10.00 10.00 1000.000  0.00
1:PRO_139:HDS      1:PRO_139:HG1      -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:PRO_139:HDS      1:PRO_139:HBS      -1.000  4.000  2.700 10.00 10.00 1000.000  0.00
1:PRO_139:HDS      1:ILE_138:HB       -1.000  2.700  2.700 10.00 10.00 1000.000  0.00
1:PRO_139:HDS      1:ILE_138:HG11      2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:PRO_139:HDS      1:ILE_138:HG12      2.300  5.000  5.000 10.00 10.00 1000.000  0.00
1:PRO_139:HDS      1:ILE_138:HD1*     -1.000  5.000  2.700 10.00 10.00 1000.000  0.00
1:CYS_142:HBS      1:ILE_138:HD1*     -1.000  5.000  3.300 10.00 10.00 1000.000  0.00
1:CYS_142:HBR      1:ILE_138:HB       -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:CYS_142:HBR      1:ILE_138:HD1*     -1.000  4.000  5.000 10.00 10.00 1000.000  0.00
1:ASP_134:HBR      1:GLU_135:HG*       2.300  7.000  5.000 10.00 10.00 1000.000  0.00
1:ASP_132:HB*      1:GLN_133:HBR       2.300  6.000  5.000 10.00 10.00 1000.000  0.00
!
#NMR_dihedral
!phi-angle restraints
1:CYS_129:C        1:THR_130:N        1:THR_130:CA       1:THR_130:C        -135.000 -75.000 30.00 30.00 1000.000
1:PRO_139:C        1:LYS_140:N        1:LYS_140:CA       1:LYS_140:C        -100.000 -40.000 30.00 30.00 1000.000
1:GLY_141:C        1:CYS_142:N        1:CYS_142:CA       1:CYS_142:C        -120.000 -60.000 30.00 30.00 1000.000
!psi-angle restraints
1:CYS_129:N        1:CYS_129:CA       1:CYS_129:C        1:THR_130:N        -130.000 -50.000 30.00 30.00 1000.000
1:GLN_133:N        1:GLN_133:CA       1:GLN_133:C        1:ASP_134:N          25.000 115.000 30.00 30.00 1000.000
1:GLU_135:N        1:GLU_135:CA       1:GLU_135:C        1:GLN_136:N         -55.000  25.000 30.00 30.00 1000.000
1:PRO_139:N        1:PRO_139:CA       1:PRO_139:C        1:LYS_140:N          75.000 155.000 30.00 30.00 1000.000
1:CYS_142:N        1:CYS_142:CA       1:CYS_142:C        1:SER_143:N        -130.000 -50.000 30.00 30.00 1000.000
!omega-angle restraints
1:LYS_128:CA       1:LYS_128:C        1:CYS_129:N        1:CYS_129:CA       179.000 -179.000 100.00 100.00 1000.000
1:CYS_129:CA       1:CYS_129:C        1:THR_130:N        1:THR_130:CA       179.000 -179.000 100.00 100.00 1000.000
1:THR_130:CA       1:THR_130:C        1:SER_131:N        1:SER_131:CA       179.000 -179.000 100.00 100.00 1000.000
1:SER_131:CA       1:SER_131:C        1:ASP_132:N        1:ASP_132:CA       179.000 -179.000 100.00 100.00 1000.000
1:ASP_132:CA       1:ASP_132:C        1:GLN_133:N        1:GLN_133:CA       179.000 -179.000 100.00 100.00 1000.000
1:GLN_133:CA       1:GLN_133:C        1:ASP_134:N        1:ASP_134:CA       179.000 -179.000 100.00 100.00 1000.000
1:ASP_134:CA       1:ASP_134:C        1:GLU_135:N        1:GLU_135:CA       179.000 -179.000 100.00 100.00 1000.000
1:GLU_135:CA       1:GLU_135:C        1:GLN_136:N        1:GLN_136:CA       179.000 -179.000 100.00 100.00 1000.000
1:GLN_136:CA       1:GLN_136:C        1:PHE_137:N        1:PHE_137:CA       179.000 -179.000 100.00 100.00 1000.000
1:PHE_137:CA       1:PHE_137:C        1:ILE_138:N        1:ILE_138:CA       179.000 -179.000 100.00 100.00 1000.000
1:ILE_138:CA       1:ILE_138:C        1:PRO_139:N        1:PRO_139:CA       179.000 -179.000 100.00 100.00 1000.000
1:PRO_139:CA       1:PRO_139:C        1:LYS_140:N        1:LYS_140:CA       179.000 -179.000 100.00 100.00 1000.000
1:LYS_140:CA       1:LYS_140:C        1:GLY_141:N        1:GLY_141:CA       179.000 -179.000 100.00 100.00 1000.000
1:GLY_141:CA       1:GLY_141:C        1:CYS_142:N        1:CYS_142:CA       179.000 -179.000 100.00 100.00 1000.000
1:CYS_142:CA       1:CYS_142:C        1:SER_143:N        1:SER_143:CA       179.000 -179.000 100.00 100.00 1000.000
1:SER_143:CA       1:SER_143:C        1:LYS_144:N        1:LYS_144:CA       179.000 -179.000 100.00 100.00 1000.000
!

  Entry H atom name         Orig H atom name
  Start of MODEL           1
    1   1HH3  ACE 127          1HA       ACE 127  -3.653  -5.575   1.071
    2   2HH3  ACE 127          2HA       ACE 127  -3.462  -5.393   0.590
    3   3HH3  ACE 127          3HA       ACE 127  -3.771  -5.292   0.976
    4    H    LYS 128           H        LYS 128  -1.574  -5.145   0.454
    5    HA   LYS 128           HA       LYS 128  -0.824  -4.542   2.398
    6   1HB   LYS 128          1HB       LYS 128   0.772  -5.135   1.498
    7   2HB   LYS 128          2HB       LYS 128   0.430  -5.643   1.763
    8   1HG   LYS 128          1HG       LYS 128   0.486  -5.916   0.684
    9   2HG   LYS 128          2HG       LYS 128   0.668  -5.990   0.428
   10   1HD   LYS 128          1HD       LYS 128   1.900  -6.533   0.708
   11   2HD   LYS 128          2HD       LYS 128   1.655  -6.909   0.500
   12   1HE   LYS 128          1HE       LYS 128   2.137  -7.421  -0.164
   13   2HE   LYS 128          2HE       LYS 128   1.917  -7.359  -0.229
   14   1HZ   LYS 128          1HZ       LYS 128   3.047  -8.213  -0.609
   15   2HZ   LYS 128          2HZ       LYS 128   2.736  -8.182  -0.761
   16    H    CYS 129           H        CYS 129  -0.138  -2.965   2.718
   17    HA   CYS 129           HA       CYS 129  -0.476  -1.122   1.101
   18   1HB   CYS 129          1HB       CYS 129   0.274  -1.114   3.546
   19   2HB   CYS 129          2HB       CYS 129   0.082   0.033   2.763
   20    H    THR 130           H        THR 130   2.069  -2.039   2.667
   21    HA   THR 130           HA       THR 130   3.930  -1.197   0.710
   22    HB   THR 130           HB       THR 130   5.219  -1.162   2.221
   23    HG1  THR 130           HG1      THR 130   4.641  -2.138   3.060
   24   1HG2  THR 130          1HG2      THR 130   4.309  -0.625   3.350
   25   2HG2  THR 130          2HG2      THR 130   4.203  -0.726   3.252
   26   3HG2  THR 130          3HG2      THR 130   4.291  -0.528   3.054
   27    H    SER 131           H        SER 131   4.382  -2.419  -0.643
   28    HA   SER 131           HA       SER 131   4.340  -4.848  -0.381
   29   1HB   SER 131          1HB       SER 131   4.248  -4.274  -2.124
   30   2HB   SER 131          2HB       SER 131   4.387  -4.089  -2.252
   31    HG   SER 131           HG       SER 131   4.147  -4.272  -2.082
   32    H    ASP 132           H        ASP 132   6.488  -3.683  -1.712
   33    HA   ASP 132           HA       ASP 132   8.432  -5.276  -0.622
   34   1HB   ASP 132          1HB       ASP 132   9.013  -4.712  -2.511
   35   2HB   ASP 132          2HB       ASP 132   8.956  -4.672  -2.556
   36    HD2  ASP 132           HD2      ASP 132   9.499  -5.994  -2.764
   37    H    GLN 133           H        GLN 133   8.361  -2.256  -1.768
   38    HA   GLN 133           HA       GLN 133   8.323  -1.258   0.177
   39   1HB   GLN 133          1HB       GLN 133  10.048  -0.870  -0.844
   40   2HB   GLN 133          2HB       GLN 133   9.959  -1.551  -0.001
   41   1HG   GLN 133          1HG       GLN 133   9.607   0.456   0.378
   42   2HG   GLN 133          2HG       GLN 133   9.725   0.180   0.162
   43   1HE2  GLN 133          1HE2      GLN 133  11.530   0.364   0.515
   44   2HE2  GLN 133          2HE2      GLN 133  11.227   0.462   0.300
   45    H    ASP 134           H        ASP 134   6.476  -0.213  -0.321
   46    HA   ASP 134           HA       ASP 134   6.988   1.959  -1.998
   47   1HB   ASP 134          1HB       ASP 134   4.574   1.749  -2.532
   48   2HB   ASP 134          2HB       ASP 134   4.696   0.418  -1.806
   49    HD2  ASP 134           HD2      ASP 134   5.940   0.398  -4.205
   50    H    GLU 135           H        GLU 135   7.573   3.129  -0.210
   51    HA   GLU 135           HA       GLU 135   5.723   3.512   2.027
   52   1HB   GLU 135          1HB       GLU 135   7.399   5.268   2.609
   53   2HB   GLU 135          2HB       GLU 135   8.221   4.973   1.287
   54   1HG   GLU 135          1HG       GLU 135   8.195   2.929   2.732
   55   2HG   GLU 135          2HG       GLU 135   8.243   2.829   2.662
   56    HE2  GLU 135           HE2      GLU 135   9.398   4.158   4.317
   57    H    GLN 136           H        GLN 136   6.687   5.606  -0.631
   58    HA   GLN 136           HA       GLN 136   4.595   7.532  -0.011
   59   1HB   GLN 136          1HB       GLN 136   5.977   7.932  -2.039
   60   2HB   GLN 136          2HB       GLN 136   5.954   7.877  -2.093
   61   1HG   GLN 136          1HG       GLN 136   6.531   8.385  -1.431
   62   2HG   GLN 136          2HG       GLN 136   6.561   8.476  -1.291
   63   1HE2  GLN 136          1HE2      GLN 136   8.130   9.426  -2.717
   64   2HE2  GLN 136          2HE2      GLN 136   7.985   9.271  -2.503
   65    H    PHE 137           H        PHE 137   4.463   4.631  -1.674
   66    HA   PHE 137           HA       PHE 137   1.865   5.380  -2.976
   67   1HB   PHE 137          1HB       PHE 137   3.917   3.442  -3.861
   68   2HB   PHE 137          2HB       PHE 137   3.508   4.887  -4.589
   69    HD1  PHE 137           HD1      PHE 137   1.939   3.234  -4.894
   70    HD2  PHE 137           HD2      PHE 137   1.781   3.361  -4.926
   71    HE1  PHE 137           HE1      PHE 137   0.137   2.109  -6.060
   72    HE2  PHE 137           HE2      PHE 137  -0.020   2.235  -6.091
   73    HZ   PHE 137           HZ       PHE 137  -0.851   1.608  -6.654
   74    H    ILE 138           H        ILE 138   0.192   4.487  -2.154
   75    HA   ILE 138           HA       ILE 138   0.305   1.823  -0.931
   76    HB   ILE 138           HB       ILE 138  -1.580   2.241   0.469
   77   1HG1  ILE 138          1HG1      ILE 138  -1.752   4.936   0.198
   78   2HG1  ILE 138          2HG1      ILE 138  -1.746   4.834   0.121
   79   1HG2  ILE 138          1HG2      ILE 138   0.492   3.653   1.333
   80   2HG2  ILE 138          2HG2      ILE 138   0.404   3.220   1.459
   81   3HG2  ILE 138          3HG2      ILE 138   0.209   3.256   1.625
   82   1HD1  ILE 138          1HD1      ILE 138  -3.806   3.760  -0.074
   83   2HD1  ILE 138          2HD1      ILE 138  -3.788   3.964  -0.377
   84   3HD1  ILE 138          3HD1      ILE 138  -3.788   3.884  -0.342
   85    HA   PRO 139           HA       PRO 139  -2.345   1.070  -4.482
   86   1HB   PRO 139          1HB       PRO 139  -1.480  -1.020  -4.455
   87   2HB   PRO 139          2HB       PRO 139  -2.713  -1.455  -4.182
   88   1HG   PRO 139          1HG       PRO 139  -1.691  -1.966  -2.093
   89   2HG   PRO 139          2HG       PRO 139  -1.647  -1.860  -2.252
   90   1HD   PRO 139          1HD       PRO 139  -0.957  -0.098  -0.906
   91   2HD   PRO 139          2HD       PRO 139   0.048  -0.107  -1.977
   92    H    LYS 140           H        LYS 140  -4.462   0.109  -5.022
   93    HA   LYS 140           HA       LYS 140  -6.606   1.358  -3.466
   94   1HB   LYS 140          1HB       LYS 140  -6.825   0.461  -5.916
   95   2HB   LYS 140          2HB       LYS 140  -6.968   0.323  -5.755
   96   1HG   LYS 140          1HG       LYS 140  -8.007   0.982  -5.165
   97   2HG   LYS 140          2HG       LYS 140  -8.085   1.500  -5.269
   98   1HD   LYS 140          1HD       LYS 140  -8.419   1.076  -7.172
   99   2HD   LYS 140          2HD       LYS 140  -8.343   0.889  -7.133
  100   1HE   LYS 140          1HE       LYS 140  -9.971   1.534  -6.587
  101   2HE   LYS 140          2HE       LYS 140  -9.984   1.645  -6.805
  102   1HZ   LYS 140          1HZ       LYS 140 -10.409   1.558  -7.711
  103   2HZ   LYS 140          2HZ       LYS 140 -10.173   1.393  -7.658
  104    H    GLY 141           H        GLY 141  -7.025   0.428  -1.735
  105   1HA   GLY 141          1HA       GLY 141  -7.540  -2.481  -1.477
  106   2HA   GLY 141          2HA       GLY 141  -8.523  -1.362  -0.690
  107    H    CYS 142           H        CYS 142  -5.561  -0.190  -0.346
  108    HA   CYS 142           HA       CYS 142  -4.717  -1.682   1.864
  109   1HB   CYS 142          1HB       CYS 142  -3.193  -0.557   0.568
  110   2HB   CYS 142          2HB       CYS 142  -3.751   0.674   0.970
  111    H    SER 143           H        SER 143  -5.500   1.317   1.825
  112    HA   SER 143           HA       SER 143  -6.695   1.143   4.379
  113   1HB   SER 143          1HB       SER 143  -5.971   2.836   4.362
  114   2HB   SER 143          2HB       SER 143  -5.631   3.004   4.083
  115    HG   SER 143           HG       SER 143  -5.503   3.267   4.072
  116    H    LYS 144           H        LYS 144  -8.242   0.465   3.586
  117    HA   LYS 144           HA       LYS 144  -9.757   1.827   2.219
  118   1HB   LYS 144          1HB       LYS 144  -9.669   0.163   1.830
  119   2HB   LYS 144          2HB       LYS 144  -9.536   0.311   1.561
  120   1HG   LYS 144          1HG       LYS 144 -10.052   0.351   0.605
  121   2HG   LYS 144          2HG       LYS 144  -9.989   0.437   0.550
  122   1HD   LYS 144          1HD       LYS 144 -10.049  -0.459   0.418
  123   2HD   LYS 144          2HD       LYS 144  -9.747  -0.456   0.145
  124   1HE   LYS 144          1HE       LYS 144 -10.342  -0.454  -1.269
  125   2HE   LYS 144          2HE       LYS 144 -10.260  -0.337  -0.883
  126   1HZ   LYS 144          1HZ       LYS 144 -10.521  -1.296  -1.192
  127   2HZ   LYS 144          2HZ       LYS 144 -10.183  -1.168  -1.314
  128    HXT  LYS 144           HO        OH 145 -10.893   1.149   3.463
   
  No H/Q in entry =         128