*HEADER    MEMBRANE PROTEIN, PROTEIN BINDING       22-DEC-06   2ODG              
*TITLE     COMPLEX OF BARRIER-TO-AUTOINTEGRATION FACTOR AND LEM-DOMAIN           
*TITLE    2 OF EMERIN                                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BARRIER-TO-AUTOINTEGRATION FACTOR;                         
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 FRAGMENT: RESIDUES 1-89;                                             
*COMPND   5 SYNONYM: BREAKPOINT CLUSTER REGION PROTEIN 1;                        
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: EMERIN;                                                    
*COMPND   9 CHAIN: C;                                                            
*COMPND  10 FRAGMENT: RESIDUES 2-47;                                             
*COMPND  11 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 CELLULAR_LOCATION: NUCLEUS;                                          
*SOURCE   5 GENE: BANF1, BAF, BCRG1;                                             
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   8 MOL_ID: 2;                                                           
*SOURCE   9 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE  10 ORGANISM_COMMON: HUMAN;                                              
*SOURCE  11 CELLULAR_LOCATION: NUCLEUS;                                          
*SOURCE  12 GENE: EMD, EDMD, STA;                                                
*SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE  14 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    INNER NUCLEAR MEMBRANE PROTEIN, LEM-DOMAIN BAF                        
*KEYWDS   2 MULTIDIMENSIONAL NMR DIPOLAR COUPLINGS                               
*EXPDTA    NMR                                                                   
*AUTHOR    G.M.CLORE, M.CAI                                                      
*REVDAT   1   13-MAR-07 2ODG    0                                                


A. NOE restraints

(a) intermolecular NOEs

assign (resid 37 and name  HD# ) (resid 210 and name HG2# )  2.5  0.7  4.0 
assign (resid 37 and name  HG# ) (resid 210 and name HG2# )  2.5  0.7  4.0 


assign (resid  39 and name  HD# ) (resid 225 and name   HA )  2.5  0.7  3.5 
assign (resid  39 and name  HD# ) (resid 227 and name HG2# )  2.5  0.7  4.0 
assign (resid  39 and name  HE# ) (resid 227 and name HG2# )  2.5  0.7  1.3 
assign (resid  39 and name  HE# ) (resid 227 and name HG1# )  2.5  0.7  4.0 
assign (resid  39 and name  HE# ) (resid 230 and name HG2# )  2.5  0.7  4.5 



assign (resid  51 and name   HB ) (resid 227 and name HG1# )  2.5  0.7  4.0 
assign (resid  51 and name  HG* ) (resid 227 and name  HG* )  2.5  0.7  4.5 
assign (resid  51 and name  HG* ) (resid 230 and name   HB )  2.5  0.7  4.0 
assign (resid  51 and name   HB ) (resid 230 and name HG2# )  2.5  0.7  4.0 

assign (resid  52 and name  HD* ) (resid 227 and name HG2# )  2.5  0.7  4.5 
assign (resid  52 and name  HD* ) (resid 230 and name   HB )  2.5  0.7  4.0 
assign (resid  52 and name  HD* ) (resid 230 and name HG2# )  2.5  0.7  3.5 

assign (resid  53 and name  HD# ) (resid 224 and name  HA# )  2.5  0.7  3.5 





assign (resid  58 and name  HD* ) (resid 222 and name  HB# )  2.5  0.7  4.0 
assign (resid  58 and name  HD* ) (resid 223 and name   HA )  2.5  0.7  4.0 
assign (resid  58 and name  HD* ) (resid 224 and name  HA# )  2.5  0.7  4.0 
assign (resid  58 and name  HD* ) (resid 233 and name HD2# )  2.5  0.7  3.5 
assign (resid  58 and name  HD* ) (resid 237 and name  HE# )  2.5  0.7  4.0 
assign (resid  58 and name  HB# ) (resid 237 and name  HE# )  2.5  0.7  3.5 



assign (resid  61 and name  HB# ) (resid 233 and name HD2# )  2.5  0.7  4.0 
assign (resid  61 and name  HB# ) (resid 233 and name HD1# )  2.5  0.7  3.0 
assign (resid  61 and name  HG# ) (resid 233 and name HD1# )  2.5  0.7  4.0 
assign (resid  61 and name  HB# ) (resid 237 and name  HE# )  2.5  0.7  3.5 

assign (resid  62 and name  HE1 ) (resid 227 and name HG2# )  2.5  0.7  4.0 
assign (resid  62 and name  HD1 ) (resid 230 and name HG2# )  2.5  0.7  4.0 
assign (resid  62 and name   HA ) (resid 233 and name  HD* )  2.5  0.7  4.0 
assign (resid  62 and name  HD1 ) (resid 233 and name  HD* )  2.5  0.7  4.0 
assign (resid  62 and name   HN ) (resid 233 and name  HD* )  2.5  0.7  4.0 
assign (resid  62 and name   HA ) (resid 233 and name HD1# )  2.5  0.7  4.0 


(b) intramolecular BAF NOEs involving interfacial residues in complex

assign (resid 50 and name HD*)(resid 50 and name HN) 2.5 0.7 3.0
assign (resid 51 and name HG*)(resid 51 and name HN) 2.5 0.7 1.5
assign (resid 44 and name HG*)(resid 44 and name HN) 2.5 0.7 4.0
assign (resid 44 and name HG2#)(resid 44 and name HN) 2.5 0.7 0.9
assign (resid 44 and name HN)(resid 45 and name HG*) 2.5 0.7 4.0
assign (resid 44 and name HG1#)(resid 45 and name HN) 2.5 0.7 4.0
assign (resid 44 and name HG2#)(resid 45 and name HN) 2.5 0.7 1.5
assign (resid 45 and name HG*)(resid 46 and name HN) 2.5 0.7 3.0
assign (resid 50 and name HD*)(resid 51 and name HN) 2.5 0.7 1.5
assign (resid 50 and name HN)(resid 51 and name HG*) 2.5 0.7 3.0
assign (resid 51 and name HG*)(resid 52 and name HN) 2.5 0.7 4.0
assign (resid 51 and name HG*)(resid 52 and name HD*) 2.5 0.7 1.8
assign (resid 51 and name HG*)(resid 52 and name HN) 2.5 0.7 1.5
assign (resid 40 and name HN)(resid 44 and name HG1#) 2.5 0.7 4.0
assign (resid 40 and name HN)(resid 44 and name HG2#) 2.5 0.7 1.5
assign (resid 40 and name HN)(resid 45 and name HG*) 2.5 0.7 4.0
assign (resid 41 and name HN)(resid 44 and name HG1#) 2.5 0.7 4.0
assign (resid 41 and name HN)(resid 44 and name HG2#) 2.5 0.7 0.9
assign (resid 48 and name HN)(resid 51 and name HG*) 2.5 0.7 3.0
assign (resid 50 and name HD*)(resid 47 and name HN) 2.5 0.7 4.0
assign (resid 51 and name HG*)(resid 53 and name HN) 2.5 0.7 4.0
assign (resid 51 and name HG*)(resid 47 and name HN) 2.5 0.7 4.0
assign (resid 51 and name HG*)(resid 48 and name HN) 2.5 0.7 3.0
assign (resid 40 and name HN)(resid 44 and name HG*) 2.5 0.7 4.0
assign (resid 40 and name HN)(resid 44 and name HG2#) 2.5 0.7 1.5
assign (resid 54 and name HN)(resid 58 and name HD*) 2.5 0.7 4.0
assign (resid 44 and name HG1#)(resid 51 and name HG*) 2.5 0.7 1.2
assign (resid 44 and name HG*)(resid 51 and name HG*) 2.5 0.7 1.8
assign (resid 52 and name HD*)(resid 58 and name HD*) 2.5 0.7 1.2
assign (resid 52 and name HD*)(resid 62 and name HN) 2.5 0.7 3.0


(c) Intramolecular NOEs involving interfacial residues of emerin in complex
assign (resid 210 and name HG2#)(resid 210 and name HN) 2.5 0.7 3.0
assign (resid 213 and name HG2#)(resid 213 and name HN) 2.5 0.7 4.0
assign (resid 226 and name HG*)(resid 226 and name HN) 2.5 0.7 1.5
assign (resid 210 and name HB)(resid 211 and name HG#) 2.5 0.7 2.5
assign (resid 210 and name HB)(resid 211 and name HN) 2.5 0.7 2.5
assign (resid 210 and name HA)(resid 211 and name HN) 2.5 0.7 3.5
assign (resid 210 and name HG2#)(resid 211 and name HN) 2.5 0.7 1.5
assign (resid 210 and name HG2#)(resid 211 and name HG#) 2.5 0.7 3.0
assign (resid 213 and name HG2#)(resid 214 and name HA) 2.5 0.7 3.0
assign (resid 217 and name HA)(resid 218 and name HN) 2.5 0.7 2.5
assign (resid 220 and name HB#)(resid 221 and name HA) 2.5 0.7 2.5
assign (resid 222 and name HB#)(resid 223 and name HN) 2.5 0.7 2.5
assign (resid 222 and name HA)(resid 223 and name HN) 2.5 0.7 1.0
assign (resid 223 and name HB#)(resid 224 and name HA#) 2.5 0.7 3.5
assign (resid 225 and name HA)(resid 226 and name HG*) 2.5 0.7 3.0
assign (resid 225 and name HA)(resid 226 and name HN) 2.5 0.7 2.5
assign (resid 226 and name HA)(resid 227 and name HG*) 2.5 0.7 1.3
assign (resid 226 and name HG*)(resid 227 and name HN) 2.5 0.7 1.5
assign (resid 226 and name HA)(resid 227 and name HN) 2.5 0.7 3.5
assign (resid 227 and name HG*)(resid 228 and name HA#) 2.5 0.7 3.0
assign (resid 230 and name HG2#)(resid 231 and name HN) 2.5 0.7 3.0
assign (resid 233 and name HA)(resid 234 and name HN) 2.5 0.7 2.5
assign (resid 236 and name HB#)(resid 237 and name HN) 2.5 0.7 2.5
assign (resid 236 and name HA)(resid 237 and name HN) 2.5 0.7 3.5
assign (resid 237 and name HA)(resid 238 and name HN) 2.5 0.7 3.5
assign (resid 209 and name HA)(resid 211 and name HN) 2.5 0.7 2.5
assign (resid 209 and name HA)(resid 212 and name HD*) 2.5 0.7 3.0
assign (resid 210 and name HB)(resid 212 and name HN) 2.5 0.7 3.5
assign (resid 210 and name HB)(resid 213 and name HB) 2.5 0.7 3.5
assign (resid 210 and name HB)(resid 214 and name HB) 2.5 0.7 3.5
assign (resid 213 and name HA)(resid 216 and name HD*) 2.5 0.7 4.0
assign (resid 213 and name HA)(resid 216 and name HB#) 2.5 0.7 3.5
assign (resid 213 and name HA)(resid 216 and name HN) 2.5 0.7 3.5
assign (resid 213 and name HG2#)(resid 216 and name HN) 2.5 0.7 3.0
assign (resid 217 and name HA)(resid 220 and name HN) 2.5 0.7 2.5
assign (resid 225 and name HA)(resid 227 and name HG*) 2.5 0.7 3.0
assign (resid 225 and name HB#)(resid 227 and name HG*) 2.5 0.7 3.0
assign (resid 225 and name HG#)(resid 227 and name HG*) 2.5 0.7 4.0
assign (resid 226 and name HG*)(resid 228 and name HA#) 2.5 0.7 3.0
assign (resid 226 and name HG*)(resid 231 and name HA) 2.5 0.7 1.3
assign (resid 226 and name HG*)(resid 231 and name HG#) 2.5 0.7 1.3
assign (resid 226 and name HG*)(resid 231 and name HD#) 2.5 0.7 1.8
assign (resid 227 and name HG*)(resid 229 and name HN) 2.5 0.7 1.5
assign (resid 227 and name HG*)(resid 230 and name HN) 2.5 0.7 3.0
assign (resid 227 and name HG*)(resid 230 and name HA) 2.5 0.7 4.0
assign (resid 227 and name HG*)(resid 230 and name HB) 2.5 0.7 3.0
assign (resid 227 and name HB)(resid 230 and name HG2#) 2.5 0.7 4.0
assign (resid 230 and name HB)(resid 233 and name HD*) 2.5 0.7 3.0
assign (resid 233 and name HD*)(resid 236 and name HB#) 2.5 0.7 3.0
assign (resid 233 and name HD*)(resid 237 and name HN) 2.5 0.7 3.0
assign (resid 233 and name HD*)(resid 237 and name HE#) 2.5 0.7 1.3
assign (resid 236 and name HA)(resid 239 and name HD#) 2.5 0.7 3.5
assign (resid 236 and name HA)(resid 239 and name HB#) 2.5 0.7 2.5
assign (resid 236 and name HA)(resid 239 and name HN) 2.5 0.7 3.5
assign (resid 209 and name HB#)(resid 226 and name HG*) 2.5 0.7 1.3
assign (resid 212 and name HB#)(resid 226 and name HG*) 2.5 0.7 1.3
assign (resid 213 and name HA)(resid 226 and name HG*) 2.5 0.7 3.0
assign (resid 226 and name HG*)(resid 234 and name HD#) 2.5 0.7 1.3
assign (resid 226 and name HG*)(resid 234 and name HB#) 2.5 0.7 3.0
assign (resid 227 and name HG*)(resid 234 and name HE#) 2.5 0.7 4.0
assign (resid 227 and name HG*)(resid 234 and name HD#) 2.5 0.7 4.0


B. Side-chain angle restraints

(a) BAF in complex

!!E36
ASSIGN (RESID 36  AND NAME N   and segid A) (RESID 36 AND NAME CA  and segid A)
      (RESID 36 AND NAME CB  and segid A) (RESID 36 AND NAME CG and segid A) 1.0  -120.0 80.0 2

assign (resid 36 and name cb and segid A) (resid 36 and name cg and segid A)
       (resid 36 and name cd and segid A) (resid 36 and name oe1 and segid A) 1.0 0.0 90.0 2

!!R37
ASSIGN (RESID 37  AND NAME N   and segid A) (RESID 37 AND NAME CA  and segid A)
      (RESID 37 AND NAME CB  and segid A) (RESID 37 AND NAME CG and segid A) 1.0  -60.0 20.0 2

!!F39
ASSIGN (RESID 39  AND NAME N   and segid A) (RESID 39 AND NAME CA  and segid A)
      (RESID 39 AND NAME CB  and segid A) (RESID 39 AND NAME CG and segid A) 1.0  -60.0 15.0 2
assign (resid 39 and name ca and segid A) (resid 39 and name cb and segid A)
       (resid 39 and name cg and segid A) (resid 39 and name cd1 and segid A) 1.0 90.0 20.0 2

!!Q48
ASSIGN (RESID 48  AND NAME N   and segid A) (RESID 48 AND NAME CA  and segid A)
      (RESID 48 AND NAME CB  and segid A) (RESID 48 AND NAME CG and segid A) 1.0 180.0 20.0 2 


!!L50
ASSIGN (RESID 50  AND NAME N   and segid A) (RESID 50 AND NAME CA  and segid A)
      (RESID 50 AND NAME CB  and segid A) (RESID 50 AND NAME CG and segid A) 1.0 -60.0 20.0 2
ASSIGN (RESID 50  AND NAME CA   and segid A) (RESID 50 AND NAME CB  and segid A)
      (RESID 50 AND NAME CG  and segid A) (RESID 50 AND NAME CD1 and segid A) 1.0 180.0 20.0 2


!!V51
ASSIGN (RESID 51  AND NAME N   and segid A) (RESID 51 AND NAME CA  and segid A)
      (RESID 51 AND NAME CB  and segid A) (RESID 51 AND NAME CG1 and segid A) 1.0 180.0 20.0 2 


!!L52
ASSIGN (RESID 52  AND NAME N   and segid A) (RESID 52 AND NAME CA  and segid A)
      (RESID 52 AND NAME CB  and segid A) (RESID 52 AND NAME CG and segid A) 1.0 -60.0 20.0 2
ASSIGN (RESID 52  AND NAME CA   and segid A) (RESID 52 AND NAME CB  and segid A)
      (RESID 52 AND NAME CG  and segid A) (RESID 52 AND NAME CD1 and segid A) 1.0 180.0 20.0 2

!!K53
ASSIGN (RESID 53  AND NAME N   and segid A) (RESID 53 AND NAME CA  and segid A)
      (RESID 53 AND NAME CB  and segid A) (RESID 53 AND NAME CG and segid A) 1.0 -60.0 20.0 2 

!!D55
ASSIGN (RESID 55  AND NAME N   and segid A) (RESID 55 AND NAME CA  and segid A)
      (RESID 55 AND NAME CB  and segid A) (RESID 55 AND NAME CG and segid A) 1.0 180.0 20.0 2 
ASSIGN (RESID 55  AND NAME CA   and segid A) (RESID 55 AND NAME CB  and segid A)
      (RESID 55 AND NAME CG  and segid A) (RESID 55 AND NAME OD1 and segid A) 1.0 0.0 90.0 2 


!!L58
ASSIGN (RESID 58  AND NAME N   and segid A) (RESID 58 AND NAME CA  and segid A)
      (RESID 58 AND NAME CB  and segid A) (RESID 58 AND NAME CG and segid A) 1.0 -60.0 20.0 2
ASSIGN (RESID 58  AND NAME CA   and segid A) (RESID 58 AND NAME CB  and segid A)
      (RESID 58 AND NAME CG  and segid A) (RESID 58 AND NAME CD1 and segid A) 1.0 180.0 20.0 2

!!W62
ASSIGN (RESID 62  AND NAME N   and segid A) (RESID 62 AND NAME CA  and segid A)
      (RESID 62 AND NAME CB  and segid A) (RESID 62 AND NAME CG and segid A) 1.0 180.0 20.0 2
ASSIGN (RESID 62  AND NAME ca   and segid A) (RESID 62 AND NAME Cb  and segid A)
     (RESID 62 AND NAME Cg  and segid A) (RESID 62 AND NAME NE1 and segid A) 1.0  90.0 40.0 2


!!E61
ASSIGN (RESID 61  AND NAME N   and segid A) (RESID 61 AND NAME CA  and segid A)
      (RESID 61 AND NAME CB  and segid A) (RESID 61 AND NAME CG and segid A) 1.0  -120.0 80.0 2
assign (resid 61 and name cb and segid A) (resid 61 and name cg and segid A)
       (resid 61 and name cd and segid A) (resid 61 and name oe1 and segid A) 1.0 0.0 90.0 2

!!D65
ASSIGN (RESID 65  AND NAME N   and segid A) (RESID 65 AND NAME CA  and segid A)
      (RESID 65 AND NAME CB  and segid A) (RESID 65 AND NAME CG and segid A) 1.0  -120.0 80.0 2

assign (resid 65 and name ca and segid A) (resid 65 and name cb and segid A)
       (resid 65 and name cg and segid A) (resid 65 and name od1 and segid A) 1.0 0.0 90.0 2



!!E36
ASSIGN (RESID 36  AND NAME N   and segid B) (RESID 36 AND NAME CA  and segid B)
      (RESID 36 AND NAME CB  and segid B) (RESID 36 AND NAME CG and segid B) 1.0  -120.0 80.0 2

assign (resid 36 and name cb and segid B) (resid 36 and name cg and segid B)
       (resid 36 and name cd and segid B) (resid 36 and name oe1 and segid B) 1.0 0.0 90.0 2

!!R37
ASSIGN (RESID 37  AND NAME N   and segid B) (RESID 37 AND NAME CA  and segid B)
      (RESID 37 AND NAME CB  and segid B) (RESID 37 AND NAME CG and segid B) 1.0  -60.0 20.0 2

!!F39
ASSIGN (RESID 39  AND NAME N   and segid B) (RESID 39 AND NAME CA  and segid B)
      (RESID 39 AND NAME CB  and segid B) (RESID 39 AND NAME CG and segid B) 1.0  -60.0 15.0 2
assign (resid 39 and name ca and segid B) (resid 39 and name cb and segid B)
       (resid 39 and name cg and segid B) (resid 39 and name cd1 and segid B) 1.0 90.0 20.0 2

!!Q48
ASSIGN (RESID 48  AND NAME N   and segid B) (RESID 48 AND NAME CA  and segid B)
      (RESID 48 AND NAME CB  and segid B) (RESID 48 AND NAME CG and segid B) 1.0 -120.0 80.0 2


!!L50
ASSIGN (RESID 50  AND NAME N   and segid B) (RESID 50 AND NAME CA  and segid B)
      (RESID 50 AND NAME CB  and segid B) (RESID 50 AND NAME CG and segid B) 1.0 -60.0 20.0 2
ASSIGN (RESID 50  AND NAME CA   and segid B) (RESID 50 AND NAME CB  and segid B)
      (RESID 50 AND NAME CG  and segid B) (RESID 50 AND NAME CD1 and segid B) 1.0 180.0 20.0 2


!!V51
ASSIGN (RESID 51  AND NAME N   and segid B) (RESID 51 AND NAME CA  and segid B)
      (RESID 51 AND NAME CB  and segid B) (RESID 51 AND NAME CG1 and segid B) 1.0 180.0 20.0 2 


!!L52
ASSIGN (RESID 52  AND NAME N   and segid B) (RESID 52 AND NAME CA  and segid B)
      (RESID 52 AND NAME CB  and segid B) (RESID 52 AND NAME CG and segid B) 1.0 -60.0 20.0 2
ASSIGN (RESID 52  AND NAME CA   and segid B) (RESID 52 AND NAME CB  and segid B)
      (RESID 52 AND NAME CG  and segid B) (RESID 52 AND NAME CD1 and segid B) 1.0 180.0 20.0 2

!!K53
ASSIGN (RESID 53  AND NAME N   and segid B) (RESID 53 AND NAME CA  and segid B)
      (RESID 53 AND NAME CB  and segid B) (RESID 53 AND NAME CG and segid B) 1.0 -60.0 20.0 2 

!!D55
ASSIGN (RESID 55  AND NAME N   and segid B) (RESID 55 AND NAME CA  and segid B)
      (RESID 55 AND NAME CB  and segid B) (RESID 55 AND NAME CG and segid B) 1.0 180.0 20.0 2 
ASSIGN (RESID 55  AND NAME CA   and segid B) (RESID 55 AND NAME CB  and segid B)
      (RESID 55 AND NAME CG  and segid B) (RESID 55 AND NAME OD1 and segid B) 1.0 0.0 90.0 2 


!!L58
ASSIGN (RESID 58  AND NAME N   and segid B) (RESID 58 AND NAME CA  and segid B)
      (RESID 58 AND NAME CB  and segid B) (RESID 58 AND NAME CG and segid B) 1.0 -60.0 20.0 2
ASSIGN (RESID 58  AND NAME CA   and segid B) (RESID 58 AND NAME CB  and segid B)
      (RESID 58 AND NAME CG  and segid B) (RESID 58 AND NAME CD1 and segid B) 1.0 180.0 20.0 2

!!W62
ASSIGN (RESID 62  AND NAME N   and segid B) (RESID 62 AND NAME CA  and segid B)
      (RESID 62 AND NAME CB  and segid B) (RESID 62 AND NAME CG and segid B) 1.0 180.0 20.0 2
ASSIGN (RESID 62  AND NAME ca   and segid B) (RESID 62 AND NAME Cb  and segid B)
     (RESID 62 AND NAME Cg  and segid B) (RESID 62 AND NAME NE1 and segid B) 1.0  90.0 40.0 2


!!E61
ASSIGN (RESID 61  AND NAME N   and segid B) (RESID 61 AND NAME CA  and segid B)
      (RESID 61 AND NAME CB  and segid B) (RESID 61 AND NAME CG and segid B) 1.0  -120.0 80.0 2
assign (resid 61 and name cb and segid B) (resid 61 and name cg and segid B)
       (resid 61 and name cd and segid B) (resid 61 and name oe1 and segid B) 1.0 0.0 90.0 2

!!D65
ASSIGN (RESID 65  AND NAME N   and segid B) (RESID 65 AND NAME CA  and segid B)
      (RESID 65 AND NAME CB  and segid B) (RESID 65 AND NAME CG and segid B) 1.0  -120.0 80.0 2

assign (resid 65 and name ca and segid B) (resid 65 and name cb and segid B)
       (resid 65 and name cg and segid B) (resid 65 and name od1 and segid B) 1.0 0.0 90.0 2


(b) Emerin in complex


!D9
assign (resid 209 and name n) (resid 209 and name ca)
       (resid 209 and name cb) (resid 209 and name cg) 1.0 0.0 80.0 2
assign (resid 209 and name ca) (resid 209 and name cb)
       (resid 209 and name cg) (resid 209 and name od1) 1.0 0.0 90.0 2


!T10
assign (resid 210 and name n) (resid 210 and name ca)
       (resid 210 and name cb) (resid 210 and name og1) 1.0 -60.0 20.0 2

!T13
assign (resid 213 and name n) (resid 213 and name ca)
       (resid 213 and name cb) (resid 213 and name og1) 1.0 -60.0 20.0 2

!R17
!chi1
assign (resid 217 and name  N) (resid 217 and name  CA)
       (resid 217 and name CB) (resid 217 and name  CG)   1 -120.00 80.00  2

!V26
!chi1
assign (resid 226 and name  N) (resid 226 and name  CA)
       (resid 226 and name CB) (resid 226 and name  CG1)   1 60.00 20.00  2

!V27
!chi1
assign (resid 227 and name  N) (resid 227 and name  CA)
       (resid 227 and name CB) (resid 227 and name  CG1)  1 180.0 20.0 2 

!S29
!chi1
assign (resid 229 and name  N) (resid 229 and name  CA)
       (resid 229 and name CB) (resid 229 and name  OG ) 1 120.0 80.0 2 

!T30
!chi1
assign (resid 230 and name  N) (resid 230 and name  CA)
       (resid 230 and name CB) (resid 230 and name  OG1)   1 -60.00 20.00  2

!L33
!chi1
assign (resid 233 and name  N) (resid 233 and name  CA)
       (resid 233 and name CB) (resid 233 and name  CG)   1 180.00 20.00  2
assign (resid 233 and name  CA) (resid 233 and name  CB)
       (resid 233 and name CG) (resid 233 and name  CD1)   1 60.00 20.00  2

!E35
assign (resid 235 and name cb ) (resid 235 and name cg )
       (resid 235 and name cd ) (resid 235 and name oe1 ) 1.0 0.0 90.0 2
!K36
!chi1
assign (resid 236 and name  N) (resid 236 and name  CA)
       (resid 236 and name CB) (resid 236 and name  CG)   1 180.00 20.00  2
!K37
!chi1
assign (resid 237 and name  N) (resid 237 and name  CA)
       (resid 237 and name CB) (resid 237 and name  CG)   1 -60.00 20.00  2



C. NH RDCs  . Rhombicity = 0.5

(a) BAF. DaNH = 10.4 Hz


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 3    and name N and segid A   )
       ( resid 3    and name HN and segid A  )  -3.6600  0.2000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 6    and name N and segid A   )
       ( resid 6    and name HN and segid A  )  10.9300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 8    and name N and segid A   )
       ( resid 8    and name HN and segid A  )  19.0100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 9    and name N and segid A   )
       ( resid 9    and name HN and segid A  )  10.4700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 11   and name N and segid A   )
       ( resid 11   and name HN and segid A  )  21.9800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 13   and name N and segid A   )
       ( resid 13   and name HN and segid A  )  -13.5100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 16   and name N and segid A   )
       ( resid 16   and name HN and segid A  )  0.5900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 17   and name N and segid A   )
       ( resid 17   and name HN and segid A  )  -15.8000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 18   and name N and segid A   )
       ( resid 18   and name HN and segid A  )  -4.8300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 21   and name N and segid A   )
       ( resid 21   and name HN and segid A  )  2.2600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 22   and name N and segid A   )
       ( resid 22   and name HN and segid A  )  15.7600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 24   and name N and segid A   )
       ( resid 24   and name HN and segid A  )  6.8900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 25   and name N and segid A   )
       ( resid 25   and name HN and segid A  )  -0.9700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 26   and name N and segid A   )
       ( resid 26   and name HN and segid A  )  -13.6900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 27   and name N and segid A   )
       ( resid 27   and name HN and segid A  )  -8.8100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 28   and name N and segid A   )
       ( resid 28   and name HN and segid A  )  9.3800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 31   and name N and segid A   )
       ( resid 31   and name HN and segid A  )  6.3500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 33   and name N and segid A   )
       ( resid 33   and name HN and segid A  )  9.5100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 35   and name N and segid A   )
       ( resid 35   and name HN and segid A  )  14.2900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 37   and name N and segid A   )
       ( resid 37   and name HN and segid A  )  0.1700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 38   and name N and segid A   )
       ( resid 38   and name HN and segid A  )  6.8900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 39   and name N and segid A   )
       ( resid 39   and name HN and segid A  )  6.4500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 40   and name N and segid A   )
       ( resid 40   and name HN and segid A  )  16.8000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 42   and name N and segid A   )
       ( resid 42   and name HN and segid A  )  -10.2800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 43   and name N and segid A   )
       ( resid 43   and name HN and segid A  )  -9.1000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 44   and name N and segid A   )
       ( resid 44   and name HN and segid A  )  6.0300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 47   and name N and segid A   )
       ( resid 47   and name HN and segid A  )  -1.4200  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 48   and name N and segid A   )
       ( resid 48   and name HN and segid A  )  1.9500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 50   and name N and segid A   )
       ( resid 50   and name HN and segid A  )  -2.1400  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 51   and name N and segid A   )
       ( resid 51   and name HN and segid A  )  1.8800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 52   and name N and segid A   )
       ( resid 52   and name HN and segid A  )  -2.9800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 53   and name N and segid A   )
       ( resid 53   and name HN and segid A  )  11.0600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 54   and name N and segid A   )
       ( resid 54   and name HN and segid A  )  0.5000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 55   and name N and segid A   )
       ( resid 55   and name HN and segid A  )  8.1100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 56   and name N and segid A   )
       ( resid 56   and name HN and segid A  )  -7.2500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 58   and name N and segid A   )
       ( resid 58   and name HN and segid A  )  -3.0100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 59   and name N and segid A   )
       ( resid 59   and name HN and segid A  )  -7.6500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 60   and name N and segid A   )
       ( resid 60   and name HN and segid A  )  -1.8400  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 63   and name N and segid A   )
       ( resid 63   and name HN and segid A  )  -7.1500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 64   and name N and segid A   )
       ( resid 64   and name HN and segid A  )  -1.4600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 66   and name N and segid A   )
       ( resid 66   and name HN and segid A  )  -10.0600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 69   and name N and segid A   )
       ( resid 69   and name HN and segid A  )  17.3100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 70   and name N and segid A   )
       ( resid 70   and name HN and segid A  )  -10.0600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 72   and name N and segid A   )
       ( resid 72   and name HN and segid A  )  2.6600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 73   and name N and segid A   )
       ( resid 73   and name HN and segid A  )  -7.5300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 75   and name N and segid A   )
       ( resid 75   and name HN and segid A  )  11.5000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 78   and name N and segid A   )
       ( resid 78   and name HN and segid A  )  5.0800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 79   and name N and segid A   )
       ( resid 79   and name HN and segid A  )  10.7700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 80   and name N and segid A   )
       ( resid 80   and name HN and segid A  )  -8.4200  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 81   and name N and segid A   )
       ( resid 81   and name HN and segid A  )  -4.4900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 82   and name N and segid A   )
       ( resid 82   and name HN and segid A  )  9.6700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 83   and name N and segid A   )
       ( resid 83   and name HN and segid A  )  7.0000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 85   and name N and segid A   )
       ( resid 85   and name HN and segid A  )  -1.4100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 87   and name N and segid A   )
       ( resid 87   and name HN and segid A  )  -2.5700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 88   and name N and segid A   )
       ( resid 88   and name HN and segid A  )  -3.7300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 89   and name N and segid A   )
       ( resid 89   and name HN and segid A  )  17.4000  0.2000




assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 3    and name N and segid B   )
       ( resid 3    and name HN and segid B  )  -3.6600  0.2000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 6    and name N and segid B   )
       ( resid 6    and name HN and segid B  )  10.9300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 8    and name N and segid B   )
       ( resid 8    and name HN and segid B  )  19.0100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 9    and name N and segid B   )
       ( resid 9    and name HN and segid B  )  10.4700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 11   and name N and segid B   )
       ( resid 11   and name HN and segid B  )  21.9800  0.2000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 13   and name N and segid B   )
       ( resid 13   and name HN and segid B  )  -13.5100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 16   and name N and segid B   )
       ( resid 16   and name HN and segid B  )  0.5900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 17   and name N and segid B   )
       ( resid 17   and name HN and segid B  )  -15.8000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 18   and name N and segid B   )
       ( resid 18   and name HN and segid B  )  -4.8300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 21   and name N and segid B   )
       ( resid 21   and name HN and segid B  )  2.2600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 22   and name N and segid B   )
       ( resid 22   and name HN and segid B  )  15.7600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 24   and name N and segid B   )
       ( resid 24   and name HN and segid B  )  6.8900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 25   and name N and segid B   )
       ( resid 25   and name HN and segid B  )  -0.9700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 26   and name N and segid B   )
       ( resid 26   and name HN and segid B  )  -13.6900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 27   and name N and segid B   )
       ( resid 27   and name HN and segid B  )  -7.5200  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 28   and name N and segid B   )
       ( resid 28   and name HN and segid B  )  9.3800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 31   and name N and segid B   )
       ( resid 31   and name HN and segid B  )  6.7800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 33   and name N and segid B   )
       ( resid 33   and name HN and segid B  )  10.400  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 35   and name N and segid B   )
       ( resid 35   and name HN and segid B  )  14.7400  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 37   and name N and segid B   )
       ( resid 37   and name HN and segid B  )  0.0400  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 38   and name N and segid B   )
       ( resid 38   and name HN and segid B  )  9.3100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 39   and name N and segid B   )
       ( resid 39   and name HN and segid B  )  6.4500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 40   and name N and segid B   )
       ( resid 40   and name HN and segid B  )  17.610  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 42   and name N and segid B   )
       ( resid 42   and name HN and segid B  )  -7.7100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 43   and name N and segid B   )
       ( resid 43   and name HN and segid B  )  -7.7100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 44   and name N and segid B   )
       ( resid 44   and name HN and segid B  )  3.5900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 47   and name N and segid B   )
       ( resid 47   and name HN and segid B  )  -2.0400  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 48   and name N and segid B   )
       ( resid 48   and name HN and segid B  )  2.2100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 50   and name N and segid B   )
       ( resid 50   and name HN and segid B  )  -2.0300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 51   and name N and segid B   )
       ( resid 51   and name HN and segid B  )  1.8800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 52   and name N and segid B   )
       ( resid 52   and name HN and segid B  )  -5.5000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 53   and name N and segid B   )
       ( resid 53   and name HN and segid B  )  9.7500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 54   and name N and segid B   )
       ( resid 54   and name HN and segid B  )  0.5000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 55   and name N and segid B   )
       ( resid 55   and name HN and segid B  )  8.1100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 56   and name N and segid B   )
       ( resid 56   and name HN and segid B  )  -7.2500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 58   and name N and segid B   )
       ( resid 58   and name HN and segid B  )  -2.6100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 59   and name N and segid B   )
       ( resid 59   and name HN and segid B  )  -6.8800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 60   and name N and segid B   )
       ( resid 60   and name HN and segid B  )  -2.5100  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 63   and name N and segid B   )
       ( resid 63   and name HN and segid B  )  -7.0000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 64   and name N and segid B   )
       ( resid 64   and name HN and segid B  )  1.5400  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 66   and name N and segid B   )
       ( resid 66   and name HN and segid B  )  -8.9600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 69   and name N and segid B   )
       ( resid 69   and name HN and segid B  )  21.0800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 70   and name N and segid B   )
       ( resid 70   and name HN and segid B  )  -10.0600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 72   and name N and segid B   )
       ( resid 72   and name HN and segid B  )  2.6600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 73   and name N and segid B   )
       ( resid 73   and name HN and segid B  )  -7.5300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 75   and name N and segid B   )
       ( resid 75   and name HN and segid B  )  13.6600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 78   and name N and segid B   )
       ( resid 78   and name HN and segid B  )  5.9800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 79   and name N and segid B   )
       ( resid 79   and name HN and segid B  )  11.300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 80   and name N and segid B   )
       ( resid 80   and name HN and segid B  )  -8.4200  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 81   and name N and segid B   )
       ( resid 81   and name HN and segid B  )  -4.4900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 82   and name N and segid B   )
       ( resid 82   and name HN and segid B  )  8.3700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 83   and name N and segid B   )
       ( resid 83   and name HN and segid B  )  7.6400  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 85   and name N and segid B   )
       ( resid 85   and name HN and segid B  )  -2.0000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 87   and name N and segid B   )
       ( resid 87   and name HN and segid B  )  -2.5700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 88   and name N and segid B   )
       ( resid 88   and name HN and segid B  )  -3.7300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 89   and name N and segid B   )
       ( resid 89   and name HN and segid B  )  17.4000  0.2000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 62   and name NE1 and segid A   )
       ( resid 62   and name HE1 and segid A  )  1.04  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 62   and name NE1 and segid B   )
       ( resid 62   and name HE1 and segid B  )  -2.97  0.2000


(b) Emerin. DaNH = 7.1 Hz

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 203  and name N   )
       ( resid 203  and name HN  )  5.5600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 205  and name N   )
       ( resid 205  and name HN  )  1.9500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 206  and name N   )
       ( resid 206  and name HN  )  3.7900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 207  and name N   )
       ( resid 207  and name HN  )  13.7000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 208  and name N   )
       ( resid 208  and name HN  )  -2.9600  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 209  and name N   )
       ( resid 209  and name HN  )  7.2800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 210  and name N   )
       ( resid 210  and name HN  )  6.6800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 211  and name N   )
       ( resid 211  and name HN  )  0.6200  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 212  and name N   )
       ( resid 212  and name HN  )  4.3400  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 213  and name N   )
       ( resid 213  and name HN  )  10.5000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 215  and name N   )
       ( resid 215  and name HN  )  1.1300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 216  and name N   )
       ( resid 216  and name HN  )  7.7000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 217  and name N   )
       ( resid 217  and name HN  )  8.2400  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 218  and name N   )
       ( resid 218  and name HN  )  2.3200  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 219  and name N   )
       ( resid 219  and name HN  )  1.8400  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 220  and name N   )
       ( resid 220  and name HN  )  15.2500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 221  and name N   )
       ( resid 221  and name HN  )  7.5800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 223  and name N   )
       ( resid 223  and name HN  )  -0.2700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 224  and name N   )
       ( resid 224  and name HN  )  0.2700  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 226  and name N   )
       ( resid 226  and name HN  )  6.8000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 228  and name N   )
       ( resid 228  and name HN  )  13.5800  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 229  and name N   )
       ( resid 229  and name HN  )  3.3400  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 232  and name N   )
       ( resid 232  and name HN  )  -4.1400  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 233  and name N   )
       ( resid 233  and name HN  )  -1.4400  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 234  and name N   )
       ( resid 234  and name HN  )  5.0000  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 235  and name N   )
       ( resid 235  and name HN  )  -1.9500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 236  and name N   )
       ( resid 236  and name HN  )  -6.3300  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 238  and name N   )
       ( resid 238  and name HN  )  3.0200  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 239  and name N   )
       ( resid 239  and name HN  )  -3.3900  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 240  and name N   )
       ( resid 240  and name HN  )  -4.8500  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 242  and name N   )
       ( resid 242  and name HN  )  0.4400  0.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 243  and name N   )
       ( resid 243  and name HN  )  -8.3100  0.2000




  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1          HT1       MET   1 119.990  -7.805  13.853
    2   2H    MET   1          HT2       MET   1 120.968  -9.126  13.423
    3   3H    MET   1          HT3       MET   1 119.321  -9.111  13.004
    4    HA   MET   1           HA       MET   1 119.773  -7.086  11.648
    5   1HB   MET   1          HB2       MET   1 122.609  -7.803  11.263
    6   2HB   MET   1          HB1       MET   1 121.887  -6.221  11.519
    7   1HG   MET   1          HG2       MET   1 121.673  -7.117  14.039
    8   2HG   MET   1          HG1       MET   1 123.020  -8.134  13.527
    9   1HE   MET   1          HE1       MET   1 125.563  -7.118  13.961
   10   2HE   MET   1          HE2       MET   1 125.835  -5.929  12.689
   11   3HE   MET   1          HE3       MET   1 124.928  -7.397  12.333
   12    H    THR   2           HN       THR   2 118.417  -8.787  10.830
   13    HA   THR   2           HA       THR   2 119.211 -11.248   9.741
   14    HB   THR   2           HB       THR   2 117.142 -10.780   8.194
   15    HG1  THR   2           HG1      THR   2 117.237  -8.548   9.931
   16   1HG2  THR   2          HG21      THR   2 117.329 -11.244  11.118
   17   2HG2  THR   2          HG22      THR   2 116.375 -12.098   9.906
   18   3HG2  THR   2          HG23      THR   2 115.781 -10.587  10.592
   19    H    THR   3           HN       THR   3 121.383 -10.095   8.898
   20    HA   THR   3           HA       THR   3 121.204  -8.842   6.289
   21    HB   THR   3           HB       THR   3 123.632  -9.147   6.222
   22    HG1  THR   3           HG1      THR   3 124.135 -10.257   8.540
   23   1HG2  THR   3          HG21      THR   3 122.336  -7.577   8.050
   24   2HG2  THR   3          HG22      THR   3 124.088  -7.597   7.858
   25   3HG2  THR   3          HG23      THR   3 123.330  -8.569   9.117
   26    H    SER   4           HN       SER   4 121.737  -9.880   4.261
   27    HA   SER   4           HA       SER   4 120.698 -12.568   4.035
   28   1HB   SER   4          HB2       SER   4 120.698 -10.648   2.277
   29   2HB   SER   4          HB1       SER   4 122.323 -11.204   1.890
   30    HG   SER   4           HG       SER   4 120.450 -12.171   0.722
   31    H    GLN   5           HN       GLN   5 121.953 -14.348   2.989
   32    HA   GLN   5           HA       GLN   5 124.173 -15.179   4.491
   33   1HB   GLN   5          HB2       GLN   5 122.944 -15.958   1.890
   34   2HB   GLN   5          HB1       GLN   5 124.598 -16.509   2.129
   35   1HG   GLN   5          HG2       GLN   5 123.976 -17.635   4.190
   36   2HG   GLN   5          HG1       GLN   5 122.336 -16.988   4.091
   37   1HE2  GLN   5          HE21      GLN   5 123.397 -19.881   3.908
   38   2HE2  GLN   5          HE22      GLN   5 122.723 -20.474   2.467
   39    H    LYS   6           HN       LYS   6 124.060 -12.924   1.864
   40    HA   LYS   6           HA       LYS   6 126.703 -13.179   0.883
   41   1HB   LYS   6          HB2       LYS   6 124.870 -10.782   1.043
   42   2HB   LYS   6          HB1       LYS   6 126.373 -10.825   0.112
   43   1HG   LYS   6          HG2       LYS   6 125.544 -12.773  -1.148
   44   2HG   LYS   6          HG1       LYS   6 124.042 -12.734  -0.226
   45   1HD   LYS   6          HD2       LYS   6 123.561 -10.481  -1.100
   46   2HD   LYS   6          HD1       LYS   6 125.063 -10.522  -2.029
   47   1HE   LYS   6          HE2       LYS   6 124.201 -12.651  -3.115
   48   2HE   LYS   6          HE1       LYS   6 122.646 -12.316  -2.355
   49   1HZ   LYS   6          HZ1       LYS   6 123.352 -11.402  -4.755
   50   2HZ   LYS   6          HZ2       LYS   6 123.843 -10.097  -3.782
   51   3HZ   LYS   6          HZ3       LYS   6 122.228 -10.628  -3.748
   52    H    HIS   7           HN       HIS   7 125.424 -11.381   3.659
   53    HA   HIS   7           HA       HIS   7 127.782  -9.903   4.229
   54   1HB   HIS   7          HB2       HIS   7 125.754  -9.329   5.355
   55   2HB   HIS   7          HB1       HIS   7 125.571 -10.954   6.009
   56    HD2  HIS   7           HD2      HIS   7 127.451 -11.566   8.147
   57    HE1  HIS   7           HE1      HIS   7 128.450  -7.523   8.845
   58    HE2  HIS   7           HE2      HIS   7 128.611  -9.880   9.764
   59    H    ARG   8           HN       ARG   8 126.768 -13.113   5.508
   60    HA   ARG   8           HA       ARG   8 129.200 -13.547   6.976
   61   1HB   ARG   8          HB2       ARG   8 127.083 -15.443   5.939
   62   2HB   ARG   8          HB1       ARG   8 128.434 -15.958   6.944
   63   1HG   ARG   8          HG2       ARG   8 127.676 -14.304   8.686
   64   2HG   ARG   8          HG1       ARG   8 126.241 -14.008   7.697
   65   1HD   ARG   8          HD2       ARG   8 125.898 -16.554   7.745
   66   2HD   ARG   8          HD1       ARG   8 127.100 -16.594   9.025
   67    HE   ARG   8           HE       ARG   8 124.293 -15.642   9.108
   68   1HH1  ARG   8          HH21      ARG   8 127.400 -15.407  10.581
   69   2HH1  ARG   8          HH22      ARG   8 126.780 -14.736  12.052
   70   1HH2  ARG   8          HH11      ARG   8 123.480 -14.778  10.990
   71   2HH2  ARG   8          HH12      ARG   8 124.559 -14.378  12.283
   72    H    ASP   9           HN       ASP   9 128.109 -14.367   3.720
   73    HA   ASP   9           HA       ASP   9 130.318 -16.118   3.113
   74   1HB   ASP   9          HB2       ASP   9 128.446 -14.554   1.339
   75   2HB   ASP   9          HB1       ASP   9 129.657 -15.668   0.720
   76    H    PHE  10           HN       PHE  10 129.722 -12.662   2.766
   77    HA   PHE  10           HA       PHE  10 132.045 -12.060   1.212
   78   1HB   PHE  10          HB2       PHE  10 130.030 -10.602   1.607
   79   2HB   PHE  10          HB1       PHE  10 130.644 -10.292   3.228
   80    HD1  PHE  10           HD1      PHE  10 131.339  -9.915  -0.395
   81    HD2  PHE  10           HD2      PHE  10 132.470  -8.781   3.603
   82    HE1  PHE  10           HE1      PHE  10 132.771  -8.104  -1.313
   83    HE2  PHE  10           HE2      PHE  10 133.904  -6.968   2.681
   84    HZ   PHE  10           HZ       PHE  10 134.040  -6.633   0.236
   85    H    VAL  11           HN       VAL  11 131.491 -11.887   4.759
   86    HA   VAL  11           HA       VAL  11 134.330 -11.301   5.241
   87    HB   VAL  11           HB       VAL  11 133.707 -11.314   7.608
   88   1HG1  VAL  11          HG11      VAL  11 131.340  -9.922   6.410
   89   2HG1  VAL  11          HG12      VAL  11 132.924  -9.441   5.806
   90   3HG1  VAL  11          HG13      VAL  11 132.562  -9.310   7.523
   91   1HG2  VAL  11          HG21      VAL  11 131.158 -12.488   6.510
   92   2HG2  VAL  11          HG22      VAL  11 131.215 -11.726   8.099
   93   3HG2  VAL  11          HG23      VAL  11 132.208 -13.146   7.763
   94    H    ALA  12           HN       ALA  12 133.010 -14.061   4.251
   95    HA   ALA  12           HA       ALA  12 134.457 -15.824   6.204
   96   1HB   ALA  12          HB1       ALA  12 132.180 -16.533   5.906
   97   2HB   ALA  12          HB2       ALA  12 133.203 -17.673   5.033
   98   3HB   ALA  12          HB3       ALA  12 132.326 -16.429   4.154
   99    H    GLU  13           HN       GLU  13 134.712 -14.451   3.081
  100    HA   GLU  13           HA       GLU  13 137.127 -16.030   2.573
  101   1HB   GLU  13          HB2       GLU  13 136.330 -16.596   0.218
  102   2HB   GLU  13          HB1       GLU  13 135.562 -17.512   1.513
  103   1HG   GLU  13          HG2       GLU  13 133.601 -16.138   1.432
  104   2HG   GLU  13          HG1       GLU  13 134.381 -14.977   0.358
  105    HA   PRO  14           HA       PRO  14 138.718 -12.219   0.935
  106   1HB   PRO  14          HB2       PRO  14 139.162 -13.770  -1.607
  107   2HB   PRO  14          HB1       PRO  14 140.265 -12.665  -0.759
  108   1HG   PRO  14          HG2       PRO  14 140.512 -15.325  -0.557
  109   2HG   PRO  14          HG1       PRO  14 140.863 -14.246   0.805
  110   1HD   PRO  14          HD2       PRO  14 138.586 -16.117   0.456
  111   2HD   PRO  14          HD1       PRO  14 139.244 -15.410   1.947
  112    H    MET  15           HN       MET  15 138.171 -10.548  -0.683
  113    HA   MET  15           HA       MET  15 135.381 -10.804  -1.634
  114   1HB   MET  15          HB2       MET  15 135.853  -8.350  -2.352
  115   2HB   MET  15          HB1       MET  15 135.829  -8.695  -0.621
  116   1HG   MET  15          HG2       MET  15 138.142  -8.532  -0.405
  117   2HG   MET  15          HG1       MET  15 138.443  -8.949  -2.088
  118   1HE   MET  15          HE1       MET  15 136.977  -4.949  -0.424
  119   2HE   MET  15          HE2       MET  15 136.781  -6.561   0.273
  120   3HE   MET  15          HE3       MET  15 135.742  -6.037  -1.058
  121    H    GLY  16           HN       GLY  16 138.635 -10.686  -2.905
  122   1HA   GLY  16          HA2       GLY  16 139.463 -10.881  -5.102
  123   2HA   GLY  16          HA1       GLY  16 137.959 -11.735  -5.463
  124    H    GLU  17           HN       GLU  17 137.442 -10.733  -7.415
  125    HA   GLU  17           HA       GLU  17 137.212  -7.744  -7.449
  126   1HB   GLU  17          HB2       GLU  17 137.410  -9.809  -9.656
  127   2HB   GLU  17          HB1       GLU  17 137.085  -8.099  -9.947
  128   1HG   GLU  17          HG2       GLU  17 139.194  -7.502  -8.816
  129   2HG   GLU  17          HG1       GLU  17 139.524  -9.211  -8.527
  130    H    LYS  18           HN       LYS  18 135.249  -9.489  -6.200
  131    HA   LYS  18           HA       LYS  18 133.001  -9.999  -7.853
  132   1HB   LYS  18          HB2       LYS  18 133.200  -9.361  -4.900
  133   2HB   LYS  18          HB1       LYS  18 131.684  -9.831  -5.670
  134   1HG   LYS  18          HG2       LYS  18 132.779 -11.902  -6.504
  135   2HG   LYS  18          HG1       LYS  18 134.249 -11.445  -5.648
  136   1HD   LYS  18          HD2       LYS  18 133.038 -11.507  -3.508
  137   2HD   LYS  18          HD1       LYS  18 131.551 -11.937  -4.357
  138   1HE   LYS  18          HE2       LYS  18 132.830 -13.938  -5.302
  139   2HE   LYS  18          HE1       LYS  18 134.088 -13.568  -4.122
  140   1HZ   LYS  18          HZ1       LYS  18 132.369 -15.228  -3.408
  141   2HZ   LYS  18          HZ2       LYS  18 131.248 -13.952  -3.375
  142   3HZ   LYS  18          HZ3       LYS  18 132.603 -13.923  -2.351
  143    HA   PRO  19           HA       PRO  19 131.492  -5.985  -8.919
  144   1HB   PRO  19          HB2       PRO  19 128.751  -6.421  -8.937
  145   2HB   PRO  19          HB1       PRO  19 129.852  -6.943 -10.226
  146   1HG   PRO  19          HG2       PRO  19 128.732  -8.518  -7.947
  147   2HG   PRO  19          HG1       PRO  19 128.940  -8.986  -9.645
  148   1HD   PRO  19          HD2       PRO  19 130.665  -9.815  -7.743
  149   2HD   PRO  19          HD1       PRO  19 131.220  -9.428  -9.386
  150    H    VAL  20           HN       VAL  20 130.546  -4.094  -8.062
  151    HA   VAL  20           HA       VAL  20 130.646  -3.734  -5.284
  152    HB   VAL  20           HB       VAL  20 130.734  -1.876  -6.880
  153   1HG1  VAL  20          HG11      VAL  20 128.910  -1.195  -8.199
  154   2HG1  VAL  20          HG12      VAL  20 127.743  -2.099  -7.236
  155   3HG1  VAL  20          HG13      VAL  20 128.844  -2.952  -8.314
  156   1HG2  VAL  20          HG21      VAL  20 128.319  -1.558  -5.075
  157   2HG2  VAL  20          HG22      VAL  20 129.458  -0.310  -5.580
  158   3HG2  VAL  20          HG23      VAL  20 129.975  -1.586  -4.479
  159    H    GLY  21           HN       GLY  21 127.832  -4.387  -7.324
  160   1HA   GLY  21          HA2       GLY  21 125.814  -4.167  -5.368
  161   2HA   GLY  21          HA1       GLY  21 125.700  -5.197  -6.787
  162    H    SER  22           HN       SER  22 128.414  -6.279  -5.290
  163    HA   SER  22           HA       SER  22 126.974  -8.566  -4.148
  164   1HB   SER  22          HB2       SER  22 129.034  -8.898  -5.474
  165   2HB   SER  22          HB1       SER  22 129.942  -7.957  -4.296
  166    HG   SER  22           HG       SER  22 130.014 -10.275  -3.988
  167    H    LEU  23           HN       LEU  23 128.490  -5.644  -2.981
  168    HA   LEU  23           HA       LEU  23 129.093  -6.522  -0.326
  169   1HB   LEU  23          HB2       LEU  23 128.326  -3.769  -1.342
  170   2HB   LEU  23          HB1       LEU  23 128.977  -4.094   0.264
  171    HG   LEU  23           HG       LEU  23 130.396  -4.889  -2.289
  172   1HD1  LEU  23          HD11      LEU  23 130.832  -2.412  -0.598
  173   2HD1  LEU  23          HD12      LEU  23 130.071  -2.436  -2.188
  174   3HD1  LEU  23          HD13      LEU  23 131.765  -2.889  -2.016
  175   1HD2  LEU  23          HD21      LEU  23 132.201  -4.396  -0.114
  176   2HD2  LEU  23          HD22      LEU  23 131.810  -5.941  -0.846
  177   3HD2  LEU  23          HD23      LEU  23 130.897  -5.381   0.546
  178    H    ALA  24           HN       ALA  24 127.854  -6.691   1.487
  179    HA   ALA  24           HA       ALA  24 125.017  -7.018   1.198
  180   1HB   ALA  24          HB1       ALA  24 126.326  -6.473   3.854
  181   2HB   ALA  24          HB2       ALA  24 126.642  -7.981   3.000
  182   3HB   ALA  24          HB3       ALA  24 124.996  -7.567   3.479
  183    H    GLY  25           HN       GLY  25 123.381  -5.604   1.446
  184   1HA   GLY  25          HA2       GLY  25 122.296  -3.635   2.371
  185   2HA   GLY  25          HA1       GLY  25 123.883  -2.933   2.683
  186    H    ILE  26           HN       ILE  26 124.665  -3.915  -0.137
  187    HA   ILE  26           HA       ILE  26 123.594  -1.521  -1.562
  188    HB   ILE  26           HB       ILE  26 125.844  -3.379  -2.376
  189   1HG1  ILE  26          HG12      ILE  26 126.449  -2.357  -0.262
  190   2HG1  ILE  26          HG11      ILE  26 127.347  -1.547  -1.539
  191   1HG2  ILE  26          HG21      ILE  26 125.231  -2.228  -4.310
  192   2HG2  ILE  26          HG22      ILE  26 126.455  -1.153  -3.652
  193   3HG2  ILE  26          HG23      ILE  26 124.747  -0.784  -3.442
  194   1HD1  ILE  26          HD11      ILE  26 124.962  -0.530   0.012
  195   2HD1  ILE  26          HD12      ILE  26 125.418   0.186  -1.531
  196   3HD1  ILE  26          HD13      ILE  26 126.544   0.217  -0.182
  197    H    GLY  27           HN       GLY  27 121.754  -1.988  -2.729
  198   1HA   GLY  27          HA2       GLY  27 121.349  -4.734  -3.743
  199   2HA   GLY  27          HA1       GLY  27 120.168  -3.426  -3.775
  200    H    GLU  28           HN       GLU  28 120.288  -4.719  -6.068
  201    HA   GLU  28           HA       GLU  28 122.324  -4.047  -7.912
  202   1HB   GLU  28          HB2       GLU  28 119.374  -4.547  -8.395
  203   2HB   GLU  28          HB1       GLU  28 120.586  -4.452  -9.675
  204   1HG   GLU  28          HG2       GLU  28 121.862  -6.277  -8.427
  205   2HG   GLU  28          HG1       GLU  28 120.421  -6.475  -7.430
  206    H    VAL  29           HN       VAL  29 119.392  -2.229  -7.024
  207    HA   VAL  29           HA       VAL  29 119.726  -0.158  -8.991
  208    HB   VAL  29           HB       VAL  29 118.394  -0.133  -6.260
  209   1HG1  VAL  29          HG11      VAL  29 117.846   1.845  -8.493
  210   2HG1  VAL  29          HG12      VAL  29 118.994   2.186  -7.208
  211   3HG1  VAL  29          HG13      VAL  29 117.306   1.909  -6.818
  212   1HG2  VAL  29          HG21      VAL  29 116.862  -0.165  -8.849
  213   2HG2  VAL  29          HG22      VAL  29 116.446  -0.866  -7.287
  214   3HG2  VAL  29          HG23      VAL  29 117.626  -1.664  -8.323
  215    H    LEU  30           HN       LEU  30 120.748  -0.399  -5.585
  216    HA   LEU  30           HA       LEU  30 122.061   2.157  -5.537
  217   1HB   LEU  30          HB2       LEU  30 122.510  -0.305  -3.829
  218   2HB   LEU  30          HB1       LEU  30 123.132   1.302  -3.463
  219    HG   LEU  30           HG       LEU  30 120.188   0.644  -3.797
  220   1HD1  LEU  30          HD11      LEU  30 121.944   0.091  -1.559
  221   2HD1  LEU  30          HD12      LEU  30 120.213  -0.183  -1.672
  222   3HD1  LEU  30          HD13      LEU  30 120.824   1.353  -1.072
  223   1HD2  LEU  30          HD21      LEU  30 120.415   2.950  -4.210
  224   2HD2  LEU  30          HD22      LEU  30 121.737   3.132  -3.058
  225   3HD2  LEU  30          HD23      LEU  30 120.083   2.920  -2.485
  226    H    GLY  31           HN       GLY  31 123.200  -1.126  -6.223
  227   1HA   GLY  31          HA2       GLY  31 125.979  -0.520  -6.365
  228   2HA   GLY  31          HA1       GLY  31 125.195  -1.832  -7.251
  229    H    LYS  32           HN       LYS  32 123.344  -0.082  -8.668
  230    HA   LYS  32           HA       LYS  32 124.977   0.539 -10.947
  231   1HB   LYS  32          HB2       LYS  32 122.184   0.395 -10.304
  232   2HB   LYS  32          HB1       LYS  32 122.449   1.972 -11.034
  233   1HG   LYS  32          HG2       LYS  32 123.753   0.643 -12.870
  234   2HG   LYS  32          HG1       LYS  32 122.911  -0.765 -12.218
  235   1HD   LYS  32          HD2       LYS  32 120.766   0.733 -12.454
  236   2HD   LYS  32          HD1       LYS  32 121.764   1.679 -13.559
  237   1HE   LYS  32          HE2       LYS  32 120.528   0.010 -14.832
  238   2HE   LYS  32          HE1       LYS  32 122.242  -0.409 -14.844
  239   1HZ   LYS  32          HZ1       LYS  32 120.737  -2.299 -14.349
  240   2HZ   LYS  32          HZ2       LYS  32 120.283  -1.515 -12.911
  241   3HZ   LYS  32          HZ3       LYS  32 121.892  -2.010 -13.140
  242    H    LYS  33           HN       LYS  33 123.542   2.592  -8.406
  243    HA   LYS  33           HA       LYS  33 124.336   5.062  -9.643
  244   1HB   LYS  33          HB2       LYS  33 123.763   4.408  -6.732
  245   2HB   LYS  33          HB1       LYS  33 123.894   6.040  -7.398
  246   1HG   LYS  33          HG2       LYS  33 122.044   5.561  -8.958
  247   2HG   LYS  33          HG1       LYS  33 121.906   3.933  -8.296
  248   1HD   LYS  33          HD2       LYS  33 121.376   4.880  -6.078
  249   2HD   LYS  33          HD1       LYS  33 121.508   6.507  -6.739
  250   1HE   LYS  33          HE2       LYS  33 119.666   4.780  -8.281
  251   2HE   LYS  33          HE1       LYS  33 119.157   5.036  -6.613
  252   1HZ   LYS  33          HZ1       LYS  33 118.343   6.939  -7.399
  253   2HZ   LYS  33          HZ2       LYS  33 119.299   6.906  -8.803
  254   3HZ   LYS  33          HZ3       LYS  33 119.943   7.497  -7.345
  255    H    LEU  34           HN       LEU  34 125.871   3.027  -7.136
  256    HA   LEU  34           HA       LEU  34 128.146   4.733  -6.794
  257   1HB   LEU  34          HB2       LEU  34 127.893   1.726  -6.440
  258   2HB   LEU  34          HB1       LEU  34 129.262   2.682  -5.888
  259    HG   LEU  34           HG       LEU  34 126.458   3.367  -5.022
  260   1HD1  LEU  34          HD11      LEU  34 128.316   1.246  -3.935
  261   2HD1  LEU  34          HD12      LEU  34 126.590   1.131  -4.279
  262   3HD1  LEU  34          HD13      LEU  34 127.151   2.055  -2.886
  263   1HD2  LEU  34          HD21      LEU  34 128.873   4.698  -4.657
  264   2HD2  LEU  34          HD22      LEU  34 128.789   3.729  -3.194
  265   3HD2  LEU  34          HD23      LEU  34 127.485   4.848  -3.584
  266    H    GLU  35           HN       GLU  35 127.405   2.097  -9.006
  267    HA   GLU  35           HA       GLU  35 129.952   1.874 -10.267
  268   1HB   GLU  35          HB2       GLU  35 128.095   0.262 -10.603
  269   2HB   GLU  35          HB1       GLU  35 127.194   1.495 -11.483
  270   1HG   GLU  35          HG2       GLU  35 128.922   1.587 -13.202
  271   2HG   GLU  35          HG1       GLU  35 129.916   0.444 -12.300
  272    H    GLU  36           HN       GLU  36 127.192   3.997 -10.975
  273    HA   GLU  36           HA       GLU  36 128.414   5.254 -13.267
  274   1HB   GLU  36          HB2       GLU  36 126.093   5.917 -11.472
  275   2HB   GLU  36          HB1       GLU  36 126.718   7.161 -12.552
  276   1HG   GLU  36          HG2       GLU  36 126.540   5.039 -14.286
  277   2HG   GLU  36          HG1       GLU  36 125.209   4.681 -13.192
  278    H    ARG  37           HN       ARG  37 128.850   5.494  -9.890
  279    HA   ARG  37           HA       ARG  37 130.038   8.204  -9.989
  280   1HB   ARG  37          HB2       ARG  37 129.703   6.181  -7.762
  281   2HB   ARG  37          HB1       ARG  37 130.500   7.737  -7.547
  282   1HG   ARG  37          HG2       ARG  37 127.669   7.404  -8.568
  283   2HG   ARG  37          HG1       ARG  37 128.081   7.746  -6.895
  284   1HD   ARG  37          HD2       ARG  37 129.506   9.692  -8.180
  285   2HD   ARG  37          HD1       ARG  37 128.114   9.532  -9.249
  286    HE   ARG  37           HE       ARG  37 127.044   9.648  -6.671
  287   1HH1  ARG  37          HH21      ARG  37 129.015  11.538  -8.762
  288   2HH1  ARG  37          HH22      ARG  37 128.645  13.039  -7.980
  289   1HH2  ARG  37          HH11      ARG  37 126.557  11.592  -5.617
  290   2HH2  ARG  37          HH12      ARG  37 127.254  13.069  -6.194
  291    H    GLY  38           HN       GLY  38 131.138   5.240 -10.951
  292   1HA   GLY  38          HA2       GLY  38 133.420   4.978 -11.710
  293   2HA   GLY  38          HA1       GLY  38 133.963   6.051 -10.426
  294    H    PHE  39           HN       PHE  39 131.706   3.820  -9.212
  295    HA   PHE  39           HA       PHE  39 133.930   2.146  -8.096
  296   1HB   PHE  39          HB2       PHE  39 131.115   2.680  -7.130
  297   2HB   PHE  39          HB1       PHE  39 132.226   1.552  -6.359
  298    HD1  PHE  39           HD1      PHE  39 131.605   5.108  -7.163
  299    HD2  PHE  39           HD2      PHE  39 134.075   2.336  -5.013
  300    HE1  PHE  39           HE1      PHE  39 132.604   6.989  -5.894
  301    HE2  PHE  39           HE2      PHE  39 135.082   4.215  -3.746
  302    HZ   PHE  39           HZ       PHE  39 134.345   6.542  -4.186
  303    H    ASP  40           HN       ASP  40 133.796   1.011 -10.290
  304    HA   ASP  40           HA       ASP  40 131.402  -0.564 -10.824
  305   1HB   ASP  40          HB2       ASP  40 132.703  -1.498 -12.676
  306   2HB   ASP  40          HB1       ASP  40 132.898   0.256 -12.631
  307    H    LYS  41           HN       LYS  41 134.029  -0.969  -8.710
  308    HA   LYS  41           HA       LYS  41 133.451  -3.914  -8.498
  309   1HB   LYS  41          HB2       LYS  41 136.126  -2.525  -8.176
  310   2HB   LYS  41          HB1       LYS  41 135.837  -4.230  -7.885
  311   1HG   LYS  41          HG2       LYS  41 135.371  -2.854 -10.563
  312   2HG   LYS  41          HG1       LYS  41 136.832  -3.744 -10.153
  313   1HD   LYS  41          HD2       LYS  41 135.291  -5.728  -9.631
  314   2HD   LYS  41          HD1       LYS  41 134.020  -4.821 -10.445
  315   1HE   LYS  41          HE2       LYS  41 135.472  -4.700 -12.492
  316   2HE   LYS  41          HE1       LYS  41 136.686  -5.680 -11.674
  317   1HZ   LYS  41          HZ1       LYS  41 133.923  -6.659 -11.804
  318   2HZ   LYS  41          HZ2       LYS  41 135.380  -7.530 -11.738
  319   3HZ   LYS  41          HZ3       LYS  41 134.900  -6.779 -13.186
  320    H    ALA  42           HN       ALA  42 133.557  -4.741  -6.335
  321    HA   ALA  42           HA       ALA  42 132.596  -2.967  -4.299
  322   1HB   ALA  42          HB1       ALA  42 133.571  -5.816  -4.324
  323   2HB   ALA  42          HB2       ALA  42 131.943  -5.210  -4.034
  324   3HB   ALA  42          HB3       ALA  42 133.182  -5.028  -2.795
  325    H    TYR  43           HN       TYR  43 135.832  -4.329  -4.889
  326    HA   TYR  43           HA       TYR  43 136.968  -3.436  -2.449
  327   1HB   TYR  43          HB2       TYR  43 139.081  -3.912  -3.370
  328   2HB   TYR  43          HB1       TYR  43 137.986  -5.049  -4.142
  329    HD1  TYR  43           HD1      TYR  43 139.684  -1.772  -4.575
  330    HD2  TYR  43           HD2      TYR  43 137.746  -5.090  -6.516
  331    HE1  TYR  43           HE1      TYR  43 140.387  -0.896  -6.766
  332    HE2  TYR  43           HE2      TYR  43 138.457  -4.206  -8.733
  333    HH   TYR  43           HH       TYR  43 139.575  -2.610  -9.804
  334    H    VAL  44           HN       VAL  44 135.971  -1.554  -5.166
  335    HA   VAL  44           HA       VAL  44 137.794   0.692  -4.584
  336    HB   VAL  44           HB       VAL  44 135.197   0.727  -6.163
  337   1HG1  VAL  44          HG11      VAL  44 136.505   2.912  -5.291
  338   2HG1  VAL  44          HG12      VAL  44 135.754   2.862  -6.877
  339   3HG1  VAL  44          HG13      VAL  44 137.483   2.603  -6.721
  340   1HG2  VAL  44          HG21      VAL  44 137.936   0.555  -7.430
  341   2HG2  VAL  44          HG22      VAL  44 136.359   0.168  -8.121
  342   3HG2  VAL  44          HG23      VAL  44 137.083  -0.895  -6.925
  343    H    VAL  45           HN       VAL  45 134.632  -0.413  -3.796
  344    HA   VAL  45           HA       VAL  45 133.769   2.019  -2.413
  345    HB   VAL  45           HB       VAL  45 132.673  -0.802  -2.383
  346   1HG1  VAL  45          HG11      VAL  45 130.618   0.820  -1.466
  347   2HG1  VAL  45          HG12      VAL  45 132.017   1.565  -0.704
  348   3HG1  VAL  45          HG13      VAL  45 131.667  -0.139  -0.427
  349   1HG2  VAL  45          HG21      VAL  45 132.341   0.175  -4.516
  350   2HG2  VAL  45          HG22      VAL  45 131.948   1.751  -3.833
  351   3HG2  VAL  45          HG23      VAL  45 130.810   0.417  -3.684
  352    H    LEU  46           HN       LEU  46 135.153  -1.120  -1.444
  353    HA   LEU  46           HA       LEU  46 134.977  -0.647   1.356
  354   1HB   LEU  46          HB2       LEU  46 135.582  -2.876   0.604
  355   2HB   LEU  46          HB1       LEU  46 136.975  -2.260  -0.273
  356    HG   LEU  46           HG       LEU  46 137.974  -1.559   1.942
  357   1HD1  LEU  46          HD11      LEU  46 135.828  -3.307   3.164
  358   2HD1  LEU  46          HD12      LEU  46 135.755  -1.549   3.197
  359   3HD1  LEU  46          HD13      LEU  46 137.069  -2.385   4.002
  360   1HD2  LEU  46          HD21      LEU  46 137.296  -4.493   1.781
  361   2HD2  LEU  46          HD22      LEU  46 138.704  -3.772   2.555
  362   3HD2  LEU  46          HD23      LEU  46 138.534  -3.705   0.800
  363    H    GLY  47           HN       GLY  47 137.220   0.381  -1.125
  364   1HA   GLY  47          HA2       GLY  47 139.281   1.459   0.510
  365   2HA   GLY  47          HA1       GLY  47 138.873   2.038  -1.105
  366    H    GLN  48           HN       GLN  48 136.227   2.880  -0.623
  367    HA   GLN  48           HA       GLN  48 136.666   5.509   0.370
  368   1HB   GLN  48          HB2       GLN  48 134.778   4.853  -1.119
  369   2HB   GLN  48          HB1       GLN  48 134.059   3.959   0.218
  370   1HG   GLN  48          HG2       GLN  48 132.967   6.100   0.128
  371   2HG   GLN  48          HG1       GLN  48 134.038   6.124   1.529
  372   1HE2  GLN  48          HE21      GLN  48 134.244   8.485   1.406
  373   2HE2  GLN  48          HE22      GLN  48 135.169   9.221   0.188
  374    H    PHE  49           HN       PHE  49 135.310   2.616   1.910
  375    HA   PHE  49           HA       PHE  49 134.620   3.768   4.424
  376   1HB   PHE  49          HB2       PHE  49 133.913   1.521   3.691
  377   2HB   PHE  49          HB1       PHE  49 135.583   0.965   3.768
  378    HD1  PHE  49           HD1      PHE  49 132.876   2.495   5.868
  379    HD2  PHE  49           HD2      PHE  49 136.451   0.090   5.777
  380    HE1  PHE  49           HE1      PHE  49 132.565   1.941   8.274
  381    HE2  PHE  49           HE2      PHE  49 136.144  -0.459   8.182
  382    HZ   PHE  49           HZ       PHE  49 134.201   0.464   9.430
  383    H    LEU  50           HN       LEU  50 137.644   2.391   3.222
  384    HA   LEU  50           HA       LEU  50 139.050   2.629   5.751
  385   1HB   LEU  50          HB2       LEU  50 140.167   2.521   2.937
  386   2HB   LEU  50          HB1       LEU  50 141.089   2.264   4.416
  387    HG   LEU  50           HG       LEU  50 138.737   0.566   3.511
  388   1HD1  LEU  50          HD11      LEU  50 141.675  -0.148   3.601
  389   2HD1  LEU  50          HD12      LEU  50 140.855   0.407   2.147
  390   3HD1  LEU  50          HD13      LEU  50 140.361  -1.102   2.912
  391   1HD2  LEU  50          HD21      LEU  50 138.916   0.475   5.930
  392   2HD2  LEU  50          HD22      LEU  50 140.669   0.306   5.840
  393   3HD2  LEU  50          HD23      LEU  50 139.623  -0.995   5.281
  394    H    VAL  51           HN       VAL  51 138.693   4.757   2.947
  395    HA   VAL  51           HA       VAL  51 140.563   6.755   3.806
  396    HB   VAL  51           HB       VAL  51 138.100   6.951   2.035
  397   1HG1  VAL  51          HG11      VAL  51 139.049   9.165   2.964
  398   2HG1  VAL  51          HG12      VAL  51 138.916   9.021   1.214
  399   3HG1  VAL  51          HG13      VAL  51 140.478   8.807   1.997
  400   1HG2  VAL  51          HG21      VAL  51 139.517   6.447   0.229
  401   2HG2  VAL  51          HG22      VAL  51 140.083   5.355   1.492
  402   3HG2  VAL  51          HG23      VAL  51 140.975   6.836   1.141
  403    H    LEU  52           HN       LEU  52 137.236   6.103   4.663
  404    HA   LEU  52           HA       LEU  52 136.924   8.724   6.008
  405   1HB   LEU  52          HB2       LEU  52 135.084   6.324   5.899
  406   2HB   LEU  52          HB1       LEU  52 134.685   7.872   6.642
  407    HG   LEU  52           HG       LEU  52 135.442   7.496   3.726
  408   1HD1  LEU  52          HD11      LEU  52 133.009   8.052   3.380
  409   2HD1  LEU  52          HD12      LEU  52 132.802   7.896   5.122
  410   3HD1  LEU  52          HD13      LEU  52 133.284   6.495   4.166
  411   1HD2  LEU  52          HD21      LEU  52 134.102   9.916   4.001
  412   2HD2  LEU  52          HD22      LEU  52 135.848   9.738   3.883
  413   3HD2  LEU  52          HD23      LEU  52 135.081   9.862   5.465
  414    H    LYS  53           HN       LYS  53 138.785   6.307   6.893
  415    HA   LYS  53           HA       LYS  53 139.449   5.415   8.974
  416   1HB   LYS  53          HB2       LYS  53 138.222   8.043   9.865
  417   2HB   LYS  53          HB1       LYS  53 139.208   7.014  10.895
  418   1HG   LYS  53          HG2       LYS  53 141.123   7.313   9.389
  419   2HG   LYS  53          HG1       LYS  53 140.134   8.314   8.319
  420   1HD   LYS  53          HD2       LYS  53 139.729   9.896  10.180
  421   2HD   LYS  53          HD1       LYS  53 140.744   8.911  11.231
  422   1HE   LYS  53          HE2       LYS  53 142.599   9.252   9.487
  423   2HE   LYS  53          HE1       LYS  53 141.571  10.518   8.813
  424   1HZ   LYS  53          HZ1       LYS  53 142.618  11.790  10.318
  425   2HZ   LYS  53          HZ2       LYS  53 143.067  10.475  11.295
  426   3HZ   LYS  53          HZ3       LYS  53 141.501  11.125  11.408
  427    H    LYS  54           HN       LYS  54 136.877   4.517   8.113
  428    HA   LYS  54           HA       LYS  54 134.995   3.390   8.939
  429   1HB   LYS  54          HB2       LYS  54 136.296   3.566  11.665
  430   2HB   LYS  54          HB1       LYS  54 135.232   2.309  11.040
  431   1HG   LYS  54          HG2       LYS  54 136.989   1.636   9.429
  432   2HG   LYS  54          HG1       LYS  54 138.049   2.883  10.092
  433   1HD   LYS  54          HD2       LYS  54 137.565   1.730  12.400
  434   2HD   LYS  54          HD1       LYS  54 137.032   0.366  11.423
  435   1HE   LYS  54          HE2       LYS  54 139.708   1.516  10.731
  436   2HE   LYS  54          HE1       LYS  54 139.586   0.639  12.252
  437   1HZ   LYS  54          HZ1       LYS  54 139.963  -0.505   9.860
  438   2HZ   LYS  54          HZ2       LYS  54 138.280  -0.652  10.032
  439   3HZ   LYS  54          HZ3       LYS  54 139.318  -1.294  11.214
  440    H    ASP  55           HN       ASP  55 135.278   6.524   9.298
  441    HA   ASP  55           HA       ASP  55 133.766   7.066  11.700
  442   1HB   ASP  55          HB2       ASP  55 134.975   8.886  10.691
  443   2HB   ASP  55          HB1       ASP  55 134.149   8.661   9.159
  444    H    GLU  56           HN       GLU  56 131.882   6.033  11.970
  445    HA   GLU  56           HA       GLU  56 130.233   5.026   9.915
  446   1HB   GLU  56          HB2       GLU  56 130.165   4.263  12.266
  447   2HB   GLU  56          HB1       GLU  56 129.433   5.800  12.729
  448   1HG   GLU  56          HG2       GLU  56 127.499   5.358  11.315
  449   2HG   GLU  56          HG1       GLU  56 128.243   3.876  10.712
  450    H    ASP  57           HN       ASP  57 130.037   8.159  11.631
  451    HA   ASP  57           HA       ASP  57 127.525   8.865  10.379
  452   1HB   ASP  57          HB2       ASP  57 129.682  10.540  11.694
  453   2HB   ASP  57          HB1       ASP  57 128.171  11.215  11.085
  454    H    LEU  58           HN       LEU  58 130.926   9.493   9.548
  455    HA   LEU  58           HA       LEU  58 130.205  11.153   7.271
  456   1HB   LEU  58          HB2       LEU  58 132.751   9.671   7.903
  457   2HB   LEU  58          HB1       LEU  58 132.562  10.697   6.495
  458    HG   LEU  58           HG       LEU  58 132.105  11.643   9.338
  459   1HD1  LEU  58          HD11      LEU  58 134.550  11.713   7.563
  460   2HD1  LEU  58          HD12      LEU  58 134.428  11.141   9.226
  461   3HD1  LEU  58          HD13      LEU  58 134.324  12.867   8.877
  462   1HD2  LEU  58          HD21      LEU  58 132.707  13.837   7.787
  463   2HD2  LEU  58          HD22      LEU  58 131.070  13.301   8.154
  464   3HD2  LEU  58          HD23      LEU  58 131.826  12.835   6.633
  465    H    PHE  59           HN       PHE  59 130.940   7.709   7.699
  466    HA   PHE  59           HA       PHE  59 130.853   7.016   4.927
  467   1HB   PHE  59          HB2       PHE  59 131.754   5.470   6.597
  468   2HB   PHE  59          HB1       PHE  59 130.162   5.335   7.349
  469    HD1  PHE  59           HD1      PHE  59 132.182   4.501   4.354
  470    HD2  PHE  59           HD2      PHE  59 128.372   4.051   6.316
  471    HE1  PHE  59           HE1      PHE  59 131.571   2.706   2.748
  472    HE2  PHE  59           HE2      PHE  59 127.759   2.252   4.708
  473    HZ   PHE  59           HZ       PHE  59 129.359   1.581   2.924
  474    H    ARG  60           HN       ARG  60 128.264   6.880   7.405
  475    HA   ARG  60           HA       ARG  60 126.294   5.966   5.554
  476   1HB   ARG  60          HB2       ARG  60 125.958   7.533   8.131
  477   2HB   ARG  60          HB1       ARG  60 124.635   6.772   7.243
  478   1HG   ARG  60          HG2       ARG  60 125.989   4.597   7.409
  479   2HG   ARG  60          HG1       ARG  60 126.985   5.419   8.578
  480   1HD   ARG  60          HD2       ARG  60 124.021   4.920   8.818
  481   2HD   ARG  60          HD1       ARG  60 125.287   4.132   9.732
  482    HE   ARG  60           HE       ARG  60 125.342   7.068   9.937
  483   1HH1  ARG  60          HH21      ARG  60 123.969   4.148  11.121
  484   2HH1  ARG  60          HH22      ARG  60 123.324   4.875  12.555
  485   1HH2  ARG  60          HH11      ARG  60 124.493   8.049  11.787
  486   2HH2  ARG  60          HH12      ARG  60 123.618   7.085  12.930
  487    H    GLU  61           HN       GLU  61 127.251   9.290   6.495
  488    HA   GLU  61           HA       GLU  61 125.186  10.547   4.939
  489   1HB   GLU  61          HB2       GLU  61 127.693  11.435   6.261
  490   2HB   GLU  61          HB1       GLU  61 127.106  12.439   4.932
  491   1HG   GLU  61          HG2       GLU  61 124.849  12.498   6.023
  492   2HG   GLU  61          HG1       GLU  61 125.517  11.597   7.383
  493    H    TRP  62           HN       TRP  62 128.525   9.495   4.200
  494    HA   TRP  62           HA       TRP  62 128.615  10.593   1.571
  495   1HB   TRP  62          HB2       TRP  62 130.618   9.776   2.758
  496   2HB   TRP  62          HB1       TRP  62 130.021   8.120   2.601
  497    HD1  TRP  62           HD1      TRP  62 131.355  11.040   0.533
  498    HE1  TRP  62           HE1      TRP  62 132.011  10.183  -1.806
  499    HE3  TRP  62           HE3      TRP  62 129.629   6.243   0.838
  500    HZ2  TRP  62           HZ2      TRP  62 131.844   7.772  -3.340
  501    HZ3  TRP  62           HZ3      TRP  62 129.890   4.690  -1.075
  502    HH2  TRP  62           HH2      TRP  62 130.995   5.447  -3.162
  503    H    LEU  63           HN       LEU  63 127.769   7.281   2.632
  504    HA   LEU  63           HA       LEU  63 127.204   6.334  -0.008
  505   1HB   LEU  63          HB2       LEU  63 127.601   4.883   2.000
  506   2HB   LEU  63          HB1       LEU  63 126.021   5.366   2.610
  507    HG   LEU  63           HG       LEU  63 124.978   4.434   0.549
  508   1HD1  LEU  63          HD11      LEU  63 126.550   4.455  -1.162
  509   2HD1  LEU  63          HD12      LEU  63 126.617   2.765  -0.677
  510   3HD1  LEU  63          HD13      LEU  63 127.849   3.889  -0.117
  511   1HD2  LEU  63          HD21      LEU  63 125.278   3.089   2.651
  512   2HD2  LEU  63          HD22      LEU  63 126.748   2.413   1.951
  513   3HD2  LEU  63          HD23      LEU  63 125.188   2.108   1.188
  514    H    LYS  64           HN       LYS  64 125.114   7.628   2.531
  515    HA   LYS  64           HA       LYS  64 122.658   7.381   1.068
  516   1HB   LYS  64          HB2       LYS  64 123.485   9.238   3.311
  517   2HB   LYS  64          HB1       LYS  64 121.845   9.174   2.666
  518   1HG   LYS  64          HG2       LYS  64 122.016   6.609   3.110
  519   2HG   LYS  64          HG1       LYS  64 123.367   7.045   4.158
  520   1HD   LYS  64          HD2       LYS  64 120.605   8.272   4.354
  521   2HD   LYS  64          HD1       LYS  64 121.149   6.917   5.341
  522   1HE   LYS  64          HE2       LYS  64 122.992   8.309   6.243
  523   2HE   LYS  64          HE1       LYS  64 122.456   9.670   5.256
  524   1HZ   LYS  64          HZ1       LYS  64 121.394   8.676   7.726
  525   2HZ   LYS  64          HZ2       LYS  64 120.199   8.891   6.537
  526   3HZ   LYS  64          HZ3       LYS  64 121.194  10.193   6.990
  527    H    ASP  65           HN       ASP  65 124.844  10.153   1.503
  528    HA   ASP  65           HA       ASP  65 123.375  11.899  -0.232
  529   1HB   ASP  65          HB2       ASP  65 125.472  12.267   1.478
  530   2HB   ASP  65          HB1       ASP  65 126.287  12.395  -0.069
  531    H    THR  66           HN       THR  66 125.872   9.480  -0.814
  532    HA   THR  66           HA       THR  66 126.398  10.367  -3.523
  533    HB   THR  66           HB       THR  66 127.056   7.750  -2.135
  534    HG1  THR  66           HG1      THR  66 129.068   9.498  -2.612
  535   1HG2  THR  66          HG21      THR  66 128.168   7.081  -4.014
  536   2HG2  THR  66          HG22      THR  66 128.866   8.679  -4.245
  537   3HG2  THR  66          HG23      THR  66 127.266   8.323  -4.881
  538    H    CYS  67           HN       CYS  67 124.309   7.809  -2.099
  539    HA   CYS  67           HA       CYS  67 123.199   7.383  -4.870
  540   1HB   CYS  67          HB2       CYS  67 122.954   5.046  -4.368
  541   2HB   CYS  67          HB1       CYS  67 124.614   5.503  -3.997
  542    HG   CYS  67           HG       CYS  67 124.092   5.397  -1.488
  543    H    GLY  68           HN       GLY  68 122.453   7.728  -1.449
  544   1HA   GLY  68          HA2       GLY  68 120.297   8.676  -0.782
  545   2HA   GLY  68          HA1       GLY  68 119.552   7.901  -2.180
  546    H    ALA  69           HN       ALA  69 121.842   5.920  -0.566
  547    HA   ALA  69           HA       ALA  69 120.047   3.845   0.031
  548   1HB   ALA  69          HB1       ALA  69 121.774   3.117   1.731
  549   2HB   ALA  69          HB2       ALA  69 122.631   4.621   1.403
  550   3HB   ALA  69          HB3       ALA  69 122.427   3.427   0.122
  551    H    ASN  70           HN       ASN  70 119.096   3.185   2.089
  552    HA   ASN  70           HA       ASN  70 118.125   5.514   3.627
  553   1HB   ASN  70          HB2       ASN  70 117.429   2.565   3.661
  554   2HB   ASN  70          HB1       ASN  70 116.703   3.749   4.749
  555   1HD2  ASN  70          HD21      ASN  70 114.575   3.751   3.847
  556   2HD2  ASN  70          HD22      ASN  70 114.245   4.260   2.262
  557    H    ALA  71           HN       ALA  71 118.058   5.283   6.051
  558    HA   ALA  71           HA       ALA  71 120.644   5.050   7.166
  559   1HB   ALA  71          HB1       ALA  71 119.239   4.692   9.369
  560   2HB   ALA  71          HB2       ALA  71 117.856   4.988   8.314
  561   3HB   ALA  71          HB3       ALA  71 119.100   6.223   8.505
  562    H    LYS  72           HN       LYS  72 118.095   2.693   6.686
  563    HA   LYS  72           HA       LYS  72 119.144   0.598   8.317
  564   1HB   LYS  72          HB2       LYS  72 116.810   0.972   7.406
  565   2HB   LYS  72          HB1       LYS  72 117.409   0.418   5.849
  566   1HG   LYS  72          HG2       LYS  72 117.891  -1.771   6.721
  567   2HG   LYS  72          HG1       LYS  72 117.572  -1.236   8.377
  568   1HD   LYS  72          HD2       LYS  72 115.243  -0.817   7.868
  569   2HD   LYS  72          HD1       LYS  72 115.511  -1.123   6.155
  570   1HE   LYS  72          HE2       LYS  72 115.433  -3.401   6.428
  571   2HE   LYS  72          HE1       LYS  72 116.274  -3.349   7.980
  572   1HZ   LYS  72          HZ1       LYS  72 114.361  -3.036   9.119
  573   2HZ   LYS  72          HZ2       LYS  72 113.708  -3.875   7.792
  574   3HZ   LYS  72          HZ3       LYS  72 113.603  -2.181   7.864
  575    H    GLN  73           HN       GLN  73 119.329   1.107   4.773
  576    HA   GLN  73           HA       GLN  73 120.847  -1.274   4.306
  577   1HB   GLN  73          HB2       GLN  73 120.661   1.223   2.603
  578   2HB   GLN  73          HB1       GLN  73 121.206  -0.368   2.063
  579   1HG   GLN  73          HG2       GLN  73 118.905  -1.211   2.970
  580   2HG   GLN  73          HG1       GLN  73 118.441   0.488   2.909
  581   1HE2  GLN  73          HE21      GLN  73 118.205  -2.260   1.141
  582   2HE2  GLN  73          HE22      GLN  73 118.202  -1.614  -0.428
  583    H    SER  74           HN       SER  74 121.794   2.000   5.146
  584    HA   SER  74           HA       SER  74 124.557   1.631   4.422
  585   1HB   SER  74          HB2       SER  74 124.959   3.670   5.640
  586   2HB   SER  74          HB1       SER  74 123.467   3.857   4.737
  587    HG   SER  74           HG       SER  74 122.747   4.411   6.647
  588    H    ARG  75           HN       ARG  75 122.662   0.976   7.371
  589    HA   ARG  75           HA       ARG  75 124.874   0.477   9.109
  590   1HB   ARG  75          HB2       ARG  75 122.095  -0.724   9.056
  591   2HB   ARG  75          HB1       ARG  75 123.273  -1.080  10.320
  592   1HG   ARG  75          HG2       ARG  75 123.450   1.481  10.613
  593   2HG   ARG  75          HG1       ARG  75 121.971   1.556   9.669
  594   1HD   ARG  75          HD2       ARG  75 120.867   0.072  11.301
  595   2HD   ARG  75          HD1       ARG  75 122.356  -0.036  12.214
  596    HE   ARG  75           HE       ARG  75 121.243   2.693  11.624
  597   1HH1  ARG  75          HH21      ARG  75 121.659   0.117  13.863
  598   2HH1  ARG  75          HH22      ARG  75 121.083   1.035  15.214
  599   1HH2  ARG  75          HH11      ARG  75 120.482   3.896  13.348
  600   2HH2  ARG  75          HH12      ARG  75 120.412   3.175  14.922
  601    H    ASP  76           HN       ASP  76 123.207  -1.628   6.778
  602    HA   ASP  76           HA       ASP  76 124.605  -4.005   7.520
  603   1HB   ASP  76          HB2       ASP  76 123.277  -3.162   4.933
  604   2HB   ASP  76          HB1       ASP  76 123.942  -4.775   5.198
  605    H    CYS  77           HN       CYS  77 125.373  -1.422   5.176
  606    HA   CYS  77           HA       CYS  77 127.677  -2.789   4.111
  607   1HB   CYS  77          HB2       CYS  77 126.836   0.118   4.148
  608   2HB   CYS  77          HB1       CYS  77 128.281  -0.458   3.318
  609    HG   CYS  77           HG       CYS  77 125.985  -2.123   2.387
  610    H    PHE  78           HN       PHE  78 127.192  -0.413   6.739
  611    HA   PHE  78           HA       PHE  78 129.945   0.060   7.263
  612   1HB   PHE  78          HB2       PHE  78 128.139   1.396   8.278
  613   2HB   PHE  78          HB1       PHE  78 127.627  -0.004   9.221
  614    HD1  PHE  78           HD1      PHE  78 130.229   2.578   8.789
  615    HD2  PHE  78           HD2      PHE  78 128.962  -0.831  11.101
  616    HE1  PHE  78           HE1      PHE  78 131.893   3.153  10.548
  617    HE2  PHE  78           HE2      PHE  78 130.628  -0.257  12.859
  618    HZ   PHE  78           HZ       PHE  78 132.093   1.734  12.582
  619    H    GLY  79           HN       GLY  79 127.781  -2.131   9.081
  620   1HA   GLY  79          HA2       GLY  79 129.896  -3.446  10.464
  621   2HA   GLY  79          HA1       GLY  79 128.268  -4.090  10.266
  622    H    CYS  80           HN       CYS  80 128.405  -4.090   7.326
  623    HA   CYS  80           HA       CYS  80 129.624  -6.705   7.010
  624   1HB   CYS  80          HB2       CYS  80 127.689  -6.068   5.671
  625   2HB   CYS  80          HB1       CYS  80 128.602  -4.752   4.935
  626    HG   CYS  80           HG       CYS  80 129.900  -7.504   4.551
  627    H    LEU  81           HN       LEU  81 130.527  -3.431   5.798
  628    HA   LEU  81           HA       LEU  81 132.981  -4.400   4.606
  629   1HB   LEU  81          HB2       LEU  81 132.181  -1.629   5.538
  630   2HB   LEU  81          HB1       LEU  81 133.584  -1.986   4.538
  631    HG   LEU  81           HG       LEU  81 130.741  -2.686   3.748
  632   1HD1  LEU  81          HD11      LEU  81 131.349  -0.152   3.990
  633   2HD1  LEU  81          HD12      LEU  81 130.595  -0.703   2.496
  634   3HD1  LEU  81          HD13      LEU  81 132.335  -0.422   2.551
  635   1HD2  LEU  81          HD21      LEU  81 132.144  -4.061   2.470
  636   2HD2  LEU  81          HD22      LEU  81 133.437  -2.865   2.406
  637   3HD2  LEU  81          HD23      LEU  81 131.987  -2.650   1.429
  638    H    ARG  82           HN       ARG  82 132.103  -2.946   7.727
  639    HA   ARG  82           HA       ARG  82 134.777  -2.714   8.700
  640   1HB   ARG  82          HB2       ARG  82 132.873  -1.521   9.728
  641   2HB   ARG  82          HB1       ARG  82 132.241  -3.062  10.316
  642   1HG   ARG  82          HG2       ARG  82 134.267  -3.439  11.623
  643   2HG   ARG  82          HG1       ARG  82 134.992  -1.972  10.974
  644   1HD   ARG  82          HD2       ARG  82 133.132  -0.679  12.041
  645   2HD   ARG  82          HD1       ARG  82 132.531  -2.172  12.735
  646    HE   ARG  82           HE       ARG  82 135.420  -1.343  13.123
  647   1HH1  ARG  82          HH21      ARG  82 132.282  -1.797  14.468
  648   2HH1  ARG  82          HH22      ARG  82 132.833  -1.621  16.100
  649   1HH2  ARG  82          HH11      ARG  82 136.145  -1.113  15.206
  650   2HH2  ARG  82          HH12      ARG  82 135.022  -1.232  16.519
  651    H    GLU  83           HN       GLU  83 132.421  -5.382   8.970
  652    HA   GLU  83           HA       GLU  83 134.142  -6.905  10.724
  653   1HB   GLU  83          HB2       GLU  83 131.776  -7.703   9.007
  654   2HB   GLU  83          HB1       GLU  83 132.682  -8.872   9.965
  655   1HG   GLU  83          HG2       GLU  83 132.182  -6.885  11.850
  656   2HG   GLU  83          HG1       GLU  83 130.738  -6.801  10.859
  657    H    TRP  84           HN       TRP  84 133.807  -6.711   7.190
  658    HA   TRP  84           HA       TRP  84 135.457  -8.965   6.583
  659   1HB   TRP  84          HB2       TRP  84 134.144  -7.687   4.871
  660   2HB   TRP  84          HB1       TRP  84 135.257  -6.334   5.065
  661    HD1  TRP  84           HD1      TRP  84 134.978  -9.811   3.569
  662    HE1  TRP  84           HE1      TRP  84 137.053 -10.288   2.109
  663    HE3  TRP  84           HE3      TRP  84 137.830  -5.717   4.720
  664    HZ2  TRP  84           HZ2      TRP  84 139.581  -9.101   1.503
  665    HZ3  TRP  84           HZ3      TRP  84 140.071  -5.414   3.681
  666    HH2  TRP  84           HH2      TRP  84 140.948  -7.114   2.081
  667    H    CYS  85           HN       CYS  85 136.172  -5.544   7.242
  668    HA   CYS  85           HA       CYS  85 138.995  -5.658   6.907
  669   1HB   CYS  85          HB2       CYS  85 137.143  -3.918   8.543
  670   2HB   CYS  85          HB1       CYS  85 138.883  -3.663   8.560
  671    HG   CYS  85           HG       CYS  85 138.092  -2.217   6.600
  672    H    ASP  86           HN       ASP  86 136.944  -6.291   9.736
  673    HA   ASP  86           HA       ASP  86 139.020  -6.591  11.652
  674   1HB   ASP  86          HB2       ASP  86 136.284  -7.868  11.456
  675   2HB   ASP  86          HB1       ASP  86 137.340  -8.054  12.859
  676    H    ALA  87           HN       ALA  87 137.728  -8.854   9.269
  677    HA   ALA  87           HA       ALA  87 139.423 -11.042  10.346
  678   1HB   ALA  87          HB1       ALA  87 136.941 -10.912   8.962
  679   2HB   ALA  87          HB2       ALA  87 137.790 -12.368   9.469
  680   3HB   ALA  87          HB3       ALA  87 138.060 -11.708   7.856
  681    H    PHE  88           HN       PHE  88 139.237  -8.868   7.594
  682    HA   PHE  88           HA       PHE  88 141.626 -10.178   6.354
  683   1HB   PHE  88          HB2       PHE  88 139.421  -8.416   5.304
  684   2HB   PHE  88          HB1       PHE  88 140.833  -8.810   4.363
  685    HD1  PHE  88           HD1      PHE  88 137.571  -9.854   5.303
  686    HD2  PHE  88           HD2      PHE  88 141.413 -11.407   4.142
  687    HE1  PHE  88           HE1      PHE  88 136.508 -11.992   4.598
  688    HE2  PHE  88           HE2      PHE  88 140.358 -13.526   3.437
  689    HZ   PHE  88           HZ       PHE  88 137.905 -13.817   3.658
  690    H    LEU  89           HN       LEU  89 140.939  -7.474   8.251
  691    HA   LEU  89           HA       LEU  89 143.399  -6.073   7.240
  692   1HB   LEU  89          HB2       LEU  89 141.217  -5.068   6.380
  693   2HB   LEU  89          HB1       LEU  89 140.839  -4.693   8.047
  694    HG   LEU  89           HG       LEU  89 143.048  -3.414   8.152
  695   1HD1  LEU  89          HD11      LEU  89 144.278  -4.148   6.262
  696   2HD1  LEU  89          HD12      LEU  89 143.669  -2.577   5.745
  697   3HD1  LEU  89          HD13      LEU  89 142.875  -4.036   5.202
  698   1HD2  LEU  89          HD21      LEU  89 142.019  -1.466   6.869
  699   2HD2  LEU  89          HD22      LEU  89 140.943  -2.236   8.033
  700   3HD2  LEU  89          HD23      LEU  89 140.789  -2.600   6.317
  701   1H    MET   1          HT1       MET   1 164.655  -4.344  -7.805
  702   2H    MET   1          HT2       MET   1 164.189  -5.483  -6.633
  703   3H    MET   1          HT3       MET   1 165.637  -4.611  -6.448
  704    HA   MET   1           HA       MET   1 164.252  -2.538  -6.409
  705   1HB   MET   1          HB2       MET   1 161.922  -4.016  -5.346
  706   2HB   MET   1          HB1       MET   1 161.968  -2.678  -6.486
  707   1HG   MET   1          HG2       MET   1 162.851  -4.590  -8.149
  708   2HG   MET   1          HG1       MET   1 161.973  -5.625  -7.022
  709   1HE   MET   1          HE1       MET   1 159.307  -6.107  -7.571
  710   2HE   MET   1          HE2       MET   1 158.425  -4.642  -7.148
  711   3HE   MET   1          HE3       MET   1 159.790  -5.156  -6.160
  712    H    THR   2           HN       THR   2 166.064  -2.800  -4.976
  713    HA   THR   2           HA       THR   2 166.194  -4.320  -2.623
  714    HB   THR   2           HB       THR   2 167.688  -2.296  -1.870
  715    HG1  THR   2           HG1      THR   2 166.921  -1.654  -4.517
  716   1HG2  THR   2          HG21      THR   2 168.070  -4.318  -4.008
  717   2HG2  THR   2          HG22      THR   2 169.126  -3.898  -2.660
  718   3HG2  THR   2          HG23      THR   2 169.145  -2.928  -4.131
  719    H    THR   3           HN       THR   3 163.654  -3.881  -2.281
  720    HA   THR   3           HA       THR   3 162.988  -1.456  -0.831
  721    HB   THR   3           HB       THR   3 160.897  -2.613  -0.303
  722    HG1  THR   3           HG1      THR   3 161.177  -4.898  -1.554
  723   1HG2  THR   3          HG21      THR   3 161.683  -1.946  -2.841
  724   2HG2  THR   3          HG22      THR   3 160.070  -2.539  -2.446
  725   3HG2  THR   3          HG23      THR   3 161.293  -3.654  -3.052
  726    H    SER   4           HN       SER   4 162.663  -1.326   1.484
  727    HA   SER   4           HA       SER   4 164.651  -2.769   3.010
  728   1HB   SER   4          HB2       SER   4 163.662  -0.393   3.416
  729   2HB   SER   4          HB1       SER   4 162.360  -1.240   4.244
  730    HG   SER   4           HG       SER   4 164.297  -0.568   5.506
  731    H    GLN   5           HN       GLN   5 164.088  -4.012   5.003
  732    HA   GLN   5           HA       GLN   5 162.593  -6.330   4.489
  733   1HB   GLN   5          HB2       GLN   5 163.689  -4.991   6.918
  734   2HB   GLN   5          HB1       GLN   5 162.439  -6.192   7.225
  735   1HG   GLN   5          HG2       GLN   5 163.720  -7.894   6.056
  736   2HG   GLN   5          HG1       GLN   5 164.934  -6.704   5.577
  737   1HE2  GLN   5          HE21      GLN   5 165.108  -9.159   7.443
  738   2HE2  GLN   5          HE22      GLN   5 165.776  -8.538   8.875
  739    H    LYS   6           HN       LYS   6 161.470  -3.194   5.427
  740    HA   LYS   6           HA       LYS   6 159.044  -3.894   6.705
  741   1HB   LYS   6          HB2       LYS   6 159.773  -1.485   5.032
  742   2HB   LYS   6          HB1       LYS   6 158.309  -1.607   6.015
  743   1HG   LYS   6          HG2       LYS   6 159.682  -2.021   8.020
  744   2HG   LYS   6          HG1       LYS   6 161.145  -1.897   7.046
  745   1HD   LYS   6          HD2       LYS   6 160.574   0.431   6.476
  746   2HD   LYS   6          HD1       LYS   6 159.109   0.309   7.456
  747   1HE   LYS   6          HE2       LYS   6 160.605  -0.318   9.412
  748   2HE   LYS   6          HE1       LYS   6 161.979   0.133   8.404
  749   1HZ   LYS   6          HZ1       LYS   6 160.679   1.837   9.979
  750   2HZ   LYS   6          HZ2       LYS   6 159.820   2.066   8.531
  751   3HZ   LYS   6          HZ3       LYS   6 161.502   2.306   8.571
  752    H    HIS   7           HN       HIS   7 159.842  -3.575   3.266
  753    HA   HIS   7           HA       HIS   7 157.182  -3.743   2.280
  754   1HB   HIS   7          HB2       HIS   7 158.934  -3.121   0.778
  755   2HB   HIS   7          HB1       HIS   7 159.834  -4.601   1.099
  756    HD2  HIS   7           HD2      HIS   7 158.642  -6.971  -0.101
  757    HE1  HIS   7           HE1      HIS   7 156.200  -4.778  -2.756
  758    HE2  HIS   7           HE2      HIS   7 157.115  -7.078  -2.211
  759    H    ARG   8           HN       ARG   8 159.549  -6.399   2.851
  760    HA   ARG   8           HA       ARG   8 157.703  -8.490   2.169
  761   1HB   ARG   8          HB2       ARG   8 160.244  -8.479   3.806
  762   2HB   ARG   8          HB1       ARG   8 159.348  -9.945   3.422
  763   1HG   ARG   8          HG2       ARG   8 159.604  -9.379   0.982
  764   2HG   ARG   8          HG1       ARG   8 160.661  -8.046   1.460
  765   1HD   ARG   8          HD2       ARG   8 161.995  -9.802   2.774
  766   2HD   ARG   8          HD1       ARG   8 161.082 -11.016   1.892
  767    HE   ARG   8           HE       ARG   8 163.269  -9.260   0.944
  768   1HH1  ARG   8          HH21      ARG   8 160.506 -11.086  -0.016
  769   2HH1  ARG   8          HH22      ARG   8 160.985 -11.151  -1.680
  770   1HH2  ARG   8          HH11      ARG   8 163.897  -9.333  -1.188
  771   2HH2  ARG   8          HH12      ARG   8 162.905 -10.158  -2.344
  772    H    ASP   9           HN       ASP   9 158.602  -6.892   5.189
  773    HA   ASP   9           HA       ASP   9 157.213  -8.729   6.918
  774   1HB   ASP   9          HB2       ASP   9 158.055  -5.856   7.294
  775   2HB   ASP   9          HB1       ASP   9 157.322  -6.820   8.568
  776    H    PHE  10           HN       PHE  10 156.343  -5.735   5.269
  777    HA   PHE  10           HA       PHE  10 153.785  -5.385   6.487
  778   1HB   PHE  10          HB2       PHE  10 155.091  -3.717   5.123
  779   2HB   PHE  10          HB1       PHE  10 154.627  -4.623   3.683
  780    HD1  PHE  10           HD1      PHE  10 153.363  -2.635   6.548
  781    HD2  PHE  10           HD2      PHE  10 152.416  -4.473   2.769
  782    HE1  PHE  10           HE1      PHE  10 151.215  -1.386   6.478
  783    HE2  PHE  10           HE2      PHE  10 150.267  -3.224   2.700
  784    HZ   PHE  10           HZ       PHE  10 149.683  -1.683   4.544
  785    H    VAL  11           HN       VAL  11 154.695  -6.955   3.380
  786    HA   VAL  11           HA       VAL  11 151.958  -7.904   2.995
  787    HB   VAL  11           HB       VAL  11 152.812  -8.979   0.981
  788   1HG1  VAL  11          HG11      VAL  11 154.248  -6.347   0.936
  789   2HG1  VAL  11          HG12      VAL  11 152.531  -6.319   1.329
  790   3HG1  VAL  11          HG13      VAL  11 153.070  -7.007  -0.197
  791   1HG2  VAL  11          HG21      VAL  11 155.457  -8.238   2.213
  792   2HG2  VAL  11          HG22      VAL  11 155.304  -8.554   0.486
  793   3HG2  VAL  11          HG23      VAL  11 154.920  -9.820   1.654
  794    H    ALA  12           HN       ALA  12 154.051  -8.888   5.206
  795    HA   ALA  12           HA       ALA  12 153.710 -11.834   4.714
  796   1HB   ALA  12          HB1       ALA  12 156.024 -11.287   5.067
  797   2HB   ALA  12          HB2       ALA  12 155.437 -12.060   6.539
  798   3HB   ALA  12          HB3       ALA  12 155.628 -10.312   6.481
  799    H    GLU  13           HN       GLU  13 152.582  -9.213   6.615
  800    HA   GLU  13           HA       GLU  13 150.930 -11.060   8.186
  801   1HB   GLU  13          HB2       GLU  13 151.586  -9.879  10.347
  802   2HB   GLU  13          HB1       GLU  13 152.812 -10.955   9.677
  803   1HG   GLU  13          HG2       GLU  13 154.036  -9.115   8.746
  804   2HG   GLU  13          HG1       GLU  13 152.732  -7.984   9.108
  805    HA   PRO  14           HA       PRO  14 147.776  -7.974   7.626
  806   1HB   PRO  14          HB2       PRO  14 147.636  -7.914  10.637
  807   2HB   PRO  14          HB1       PRO  14 146.315  -8.007   9.452
  808   1HG   PRO  14          HG2       PRO  14 147.173 -10.172  10.785
  809   2HG   PRO  14          HG1       PRO  14 146.599 -10.266   9.111
  810   1HD   PRO  14          HD2       PRO  14 149.364 -10.552  10.144
  811   2HD   PRO  14          HD1       PRO  14 148.677 -11.096   8.598
  812    H    MET  15           HN       MET  15 147.407  -5.648   7.990
  813    HA   MET  15           HA       MET  15 149.920  -4.211   8.610
  814   1HB   MET  15          HB2       MET  15 148.455  -2.190   7.917
  815   2HB   MET  15          HB1       MET  15 148.813  -3.378   6.664
  816   1HG   MET  15          HG2       MET  15 146.660  -4.253   6.675
  817   2HG   MET  15          HG1       MET  15 146.346  -3.774   8.337
  818   1HE   MET  15          HE1       MET  15 146.228  -1.218   4.562
  819   2HE   MET  15          HE2       MET  15 147.146  -2.700   4.853
  820   3HE   MET  15          HE3       MET  15 147.744  -1.148   5.454
  821    H    GLY  16           HN       GLY  16 146.767  -4.781   9.977
  822   1HA   GLY  16          HA2       GLY  16 145.786  -4.075  12.001
  823   2HA   GLY  16          HA1       GLY  16 147.440  -3.882  12.590
  824    H    GLU  17           HN       GLU  17 147.324  -1.872  13.565
  825    HA   GLU  17           HA       GLU  17 146.284   0.433  11.947
  826   1HB   GLU  17          HB2       GLU  17 146.637   0.040  14.929
  827   2HB   GLU  17          HB1       GLU  17 146.220   1.588  14.195
  828   1HG   GLU  17          HG2       GLU  17 144.208   0.572  13.188
  829   2HG   GLU  17          HG1       GLU  17 144.622  -0.976  13.926
  830    H    LYS  18           HN       LYS  18 148.934  -0.707  11.573
  831    HA   LYS  18           HA       LYS  18 150.944   0.713  12.989
  832   1HB   LYS  18          HB2       LYS  18 150.903  -0.501  10.217
  833   2HB   LYS  18          HB1       LYS  18 152.364   0.182  10.932
  834   1HG   LYS  18          HG2       LYS  18 152.089  -1.331  12.884
  835   2HG   LYS  18          HG1       LYS  18 150.678  -2.046  12.109
  836   1HD   LYS  18          HD2       LYS  18 152.071  -2.781  10.220
  837   2HD   LYS  18          HD1       LYS  18 153.488  -2.041  10.971
  838   1HE   LYS  18          HE2       LYS  18 153.012  -3.505  13.006
  839   2HE   LYS  18          HE1       LYS  18 151.859  -4.376  11.995
  840   1HZ   LYS  18          HZ1       LYS  18 154.183  -5.300  12.094
  841   2HZ   LYS  18          HZ2       LYS  18 154.675  -3.947  11.191
  842   3HZ   LYS  18          HZ3       LYS  18 153.554  -5.044  10.539
  843    HA   PRO  19           HA       PRO  19 150.590   4.858  11.502
  844   1HB   PRO  19          HB2       PRO  19 153.256   5.632  11.404
  845   2HB   PRO  19          HB1       PRO  19 152.304   5.517  12.897
  846   1HG   PRO  19          HG2       PRO  19 154.225   3.551  11.728
  847   2HG   PRO  19          HG1       PRO  19 154.015   4.054  13.417
  848   1HD   PRO  19          HD2       PRO  19 153.008   1.719  12.518
  849   2HD   PRO  19          HD1       PRO  19 152.146   2.687  13.732
  850    H    VAL  20           HN       VAL  20 150.803   6.160   9.640
  851    HA   VAL  20           HA       VAL  20 150.902   4.861   7.158
  852    HB   VAL  20           HB       VAL  20 149.885   7.066   7.469
  853   1HG1  VAL  20          HG11      VAL  20 151.103   9.018   7.954
  854   2HG1  VAL  20          HG12      VAL  20 152.644   8.293   7.499
  855   3HG1  VAL  20          HG13      VAL  20 151.855   7.816   9.001
  856   1HG2  VAL  20          HG21      VAL  20 152.176   7.264   5.492
  857   2HG2  VAL  20          HG22      VAL  20 150.586   8.018   5.374
  858   3HG2  VAL  20          HG23      VAL  20 150.748   6.269   5.226
  859    H    GLY  21           HN       GLY  21 153.505   6.610   8.838
  860   1HA   GLY  21          HA2       GLY  21 155.450   6.482   6.799
  861   2HA   GLY  21          HA1       GLY  21 155.817   6.563   8.516
  862    H    SER  22           HN       SER  22 153.953   3.871   8.259
  863    HA   SER  22           HA       SER  22 156.309   2.130   8.382
  864   1HB   SER  22          HB2       SER  22 154.410   1.791   9.922
  865   2HB   SER  22          HB1       SER  22 153.349   1.488   8.548
  866    HG   SER  22           HG       SER  22 154.247  -0.422   9.572
  867    H    LEU  23           HN       LEU  23 153.918   3.039   6.008
  868    HA   LEU  23           HA       LEU  23 154.058   0.701   4.363
  869   1HB   LEU  23          HB2       LEU  23 153.532   3.590   3.603
  870   2HB   LEU  23          HB1       LEU  23 153.268   2.213   2.535
  871    HG   LEU  23           HG       LEU  23 151.976   2.465   5.261
  872   1HD1  LEU  23          HD11      LEU  23 150.805   3.188   2.558
  873   2HD1  LEU  23          HD12      LEU  23 151.312   4.346   3.790
  874   3HD1  LEU  23          HD13      LEU  23 149.971   3.247   4.110
  875   1HD2  LEU  23          HD21      LEU  23 150.411   0.921   3.417
  876   2HD2  LEU  23          HD22      LEU  23 151.285   0.339   4.822
  877   3HD2  LEU  23          HD23      LEU  23 152.069   0.350   3.250
  878    H    ALA  24           HN       ALA  24 155.484   0.095   2.786
  879    HA   ALA  24           HA       ALA  24 158.151   1.155   2.860
  880   1HB   ALA  24          HB1       ALA  24 157.083  -0.423   0.528
  881   2HB   ALA  24          HB2       ALA  24 157.305  -1.192   2.097
  882   3HB   ALA  24          HB3       ALA  24 158.685  -0.480   1.261
  883    H    GLY  25           HN       GLY  25 159.113   2.703   1.646
  884   1HA   GLY  25          HA2       GLY  25 159.403   4.083  -0.331
  885   2HA   GLY  25          HA1       GLY  25 157.715   3.792  -0.756
  886    H    ILE  26           HN       ILE  26 157.045   4.302   2.201
  887    HA   ILE  26           HA       ILE  26 156.899   7.273   1.952
  888    HB   ILE  26           HB       ILE  26 155.493   5.451   3.923
  889   1HG1  ILE  26          HG12      ILE  26 154.799   4.802   1.693
  890   2HG1  ILE  26          HG11      ILE  26 153.500   5.738   2.423
  891   1HG2  ILE  26          HG21      ILE  26 155.354   7.605   4.814
  892   2HG2  ILE  26          HG22      ILE  26 153.890   7.541   3.844
  893   3HG2  ILE  26          HG23      ILE  26 155.314   8.380   3.243
  894   1HD1  ILE  26          HD11      ILE  26 155.453   6.594   0.283
  895   2HD1  ILE  26          HD12      ILE  26 154.547   7.778   1.220
  896   3HD1  ILE  26          HD13      ILE  26 153.694   6.605   0.228
  897    H    GLY  27           HN       GLY  27 158.614   8.317   3.001
  898   1HA   GLY  27          HA2       GLY  27 159.896   6.938   5.282
  899   2HA   GLY  27          HA1       GLY  27 160.497   8.374   4.454
  900    H    GLU  28           HN       GLU  28 160.607   8.671   7.044
  901    HA   GLU  28           HA       GLU  28 158.268   9.393   8.458
  902   1HB   GLU  28          HB2       GLU  28 161.091  10.458   8.745
  903   2HB   GLU  28          HB1       GLU  28 159.796  10.748   9.908
  904   1HG   GLU  28          HG2       GLU  28 159.518   8.212  10.036
  905   2HG   GLU  28          HG1       GLU  28 161.032   8.095   9.139
  906    H    VAL  29           HN       VAL  29 160.317  11.398   6.336
  907    HA   VAL  29           HA       VAL  29 158.941  13.865   6.877
  908    HB   VAL  29           HB       VAL  29 160.490  12.929   4.437
  909   1HG1  VAL  29          HG11      VAL  29 159.898  15.822   5.140
  910   2HG1  VAL  29          HG12      VAL  29 158.899  14.907   4.020
  911   3HG1  VAL  29          HG13      VAL  29 160.594  15.179   3.656
  912   1HG2  VAL  29          HG21      VAL  29 161.561  14.936   6.403
  913   2HG2  VAL  29          HG22      VAL  29 162.418  13.728   5.452
  914   3HG2  VAL  29          HG23      VAL  29 161.529  13.243   6.892
  915    H    LEU  30           HN       LEU  30 158.517  11.402   4.331
  916    HA   LEU  30           HA       LEU  30 156.325  12.760   3.057
  917   1HB   LEU  30          HB2       LEU  30 157.107   9.833   3.034
  918   2HB   LEU  30          HB1       LEU  30 155.947  10.574   1.934
  919    HG   LEU  30           HG       LEU  30 158.841  11.445   2.202
  920   1HD1  LEU  30          HD11      LEU  30 157.753   9.115   0.869
  921   2HD1  LEU  30          HD12      LEU  30 159.419   9.667   0.898
  922   3HD1  LEU  30          HD13      LEU  30 158.330  10.225  -0.363
  923   1HD2  LEU  30          HD21      LEU  30 157.661  13.278   1.311
  924   2HD2  LEU  30          HD22      LEU  30 156.536  12.253   0.422
  925   3HD2  LEU  30          HD23      LEU  30 158.194  12.447  -0.142
  926    H    GLY  31           HN       GLY  31 156.501  10.248   5.551
  927   1HA   GLY  31          HA2       GLY  31 153.715   9.683   5.685
  928   2HA   GLY  31          HA1       GLY  31 154.837   9.505   7.037
  929    H    LYS  32           HN       LYS  32 155.653  12.305   7.023
  930    HA   LYS  32           HA       LYS  32 153.641  13.360   8.779
  931   1HB   LYS  32          HB2       LYS  32 156.318  14.009   7.978
  932   2HB   LYS  32          HB1       LYS  32 155.362  15.466   7.750
  933   1HG   LYS  32          HG2       LYS  32 154.470  14.973  10.161
  934   2HG   LYS  32          HG1       LYS  32 155.878  13.915  10.287
  935   1HD   LYS  32          HD2       LYS  32 157.200  16.002   9.396
  936   2HD   LYS  32          HD1       LYS  32 155.777  16.906   9.916
  937   1HE   LYS  32          HE2       LYS  32 157.397  16.869  11.731
  938   2HE   LYS  32          HE1       LYS  32 156.009  15.876  12.182
  939   1HZ   LYS  32          HZ1       LYS  32 158.187  14.817  12.623
  940   2HZ   LYS  32          HZ2       LYS  32 158.488  14.807  10.951
  941   3HZ   LYS  32          HZ3       LYS  32 157.194  13.911  11.590
  942    H    LYS  33           HN       LYS  33 154.432  14.036   5.367
  943    HA   LYS  33           HA       LYS  33 152.582  16.228   5.144
  944   1HB   LYS  33          HB2       LYS  33 153.726  14.384   3.023
  945   2HB   LYS  33          HB1       LYS  33 152.870  15.895   2.694
  946   1HG   LYS  33          HG2       LYS  33 154.545  17.138   4.015
  947   2HG   LYS  33          HG1       LYS  33 155.405  15.633   4.341
  948   1HD   LYS  33          HD2       LYS  33 155.787  15.322   1.921
  949   2HD   LYS  33          HD1       LYS  33 154.936  16.830   1.594
  950   1HE   LYS  33          HE2       LYS  33 157.108  17.132   3.581
  951   2HE   LYS  33          HE1       LYS  33 157.670  16.627   1.990
  952   1HZ   LYS  33          HZ1       LYS  33 157.544  18.784   1.514
  953   2HZ   LYS  33          HZ2       LYS  33 156.519  19.133   2.823
  954   3HZ   LYS  33          HZ3       LYS  33 155.873  18.525   1.374
  955    H    LEU  34           HN       LEU  34 152.306  12.747   4.373
  956    HA   LEU  34           HA       LEU  34 149.598  12.911   3.449
  957   1HB   LEU  34          HB2       LEU  34 151.072  10.602   4.767
  958   2HB   LEU  34          HB1       LEU  34 149.518  10.462   3.952
  959    HG   LEU  34           HG       LEU  34 151.907  11.612   2.520
  960   1HD1  LEU  34          HD11      LEU  34 151.207   8.714   3.012
  961   2HD1  LEU  34          HD12      LEU  34 152.776   9.509   3.142
  962   3HD1  LEU  34          HD13      LEU  34 152.073   9.200   1.554
  963   1HD2  LEU  34          HD21      LEU  34 149.235  11.432   1.783
  964   2HD2  LEU  34          HD22      LEU  34 149.878   9.948   1.098
  965   3HD2  LEU  34          HD23      LEU  34 150.574  11.500   0.641
  966    H    GLU  35           HN       GLU  35 151.059  12.465   6.619
  967    HA   GLU  35           HA       GLU  35 148.680  11.974   8.113
  968   1HB   GLU  35          HB2       GLU  35 150.968  11.711   9.036
  969   2HB   GLU  35          HB1       GLU  35 151.187  13.459   8.979
  970   1HG   GLU  35          HG2       GLU  35 149.359  13.777  10.567
  971   2HG   GLU  35          HG1       GLU  35 149.030  12.045  10.573
  972    H    GLU  36           HN       GLU  36 150.248  15.023   7.183
  973    HA   GLU  36           HA       GLU  36 148.357  16.715   8.557
  974   1HB   GLU  36          HB2       GLU  36 150.656  17.092   6.796
  975   2HB   GLU  36          HB1       GLU  36 149.355  18.214   6.397
  976   1HG   GLU  36          HG2       GLU  36 149.212  18.822   8.830
  977   2HG   GLU  36          HG1       GLU  36 150.626  17.811   9.125
  978    H    ARG  37           HN       ARG  37 148.262  14.869   5.683
  979    HA   ARG  37           HA       ARG  37 146.108  16.470   4.439
  980   1HB   ARG  37          HB2       ARG  37 147.455  13.890   3.641
  981   2HB   ARG  37          HB1       ARG  37 146.205  14.680   2.689
  982   1HG   ARG  37          HG2       ARG  37 148.762  16.042   3.529
  983   2HG   ARG  37          HG1       ARG  37 148.611  15.170   2.010
  984   1HD   ARG  37          HD2       ARG  37 146.471  16.750   1.774
  985   2HD   ARG  37          HD1       ARG  37 147.404  17.755   2.877
  986    HE   ARG  37           HE       ARG  37 149.127  16.841   0.782
  987   1HH1  ARG  37          HH21      ARG  37 146.479  18.933   1.405
  988   2HH1  ARG  37          HH22      ARG  37 146.725  19.888  -0.019
  989   1HH2  ARG  37          HH11      ARG  37 149.466  18.052  -1.088
  990   2HH2  ARG  37          HH12      ARG  37 148.419  19.387  -1.437
  991    H    GLY  38           HN       GLY  38 146.185  14.330   6.975
  992   1HA   GLY  38          HA2       GLY  38 144.115  13.667   8.048
  993   2HA   GLY  38          HA1       GLY  38 143.346  13.546   6.471
  994    H    PHE  39           HN       PHE  39 146.442  12.127   6.409
  995    HA   PHE  39           HA       PHE  39 145.218   9.403   6.666
  996   1HB   PHE  39          HB2       PHE  39 147.722  10.321   5.251
  997   2HB   PHE  39          HB1       PHE  39 147.155   8.655   5.323
  998    HD1  PHE  39           HD1      PHE  39 146.553  11.985   3.960
  999    HD2  PHE  39           HD2      PHE  39 145.178   7.948   4.059
 1000    HE1  PHE  39           HE1      PHE  39 145.106  12.452   2.004
 1001    HE2  PHE  39           HE2      PHE  39 143.708   8.394   2.111
 1002    HZ   PHE  39           HZ       PHE  39 143.675  10.652   1.077
 1003    H    ASP  40           HN       ASP  40 145.526   9.823   9.089
 1004    HA   ASP  40           HA       ASP  40 148.265   9.905  10.078
 1005   1HB   ASP  40          HB2       ASP  40 147.236   9.691  12.289
 1006   2HB   ASP  40          HB1       ASP  40 146.363  10.889  11.332
 1007    H    LYS  41           HN       LYS  41 146.288   7.396   8.905
 1008    HA   LYS  41           HA       LYS  41 148.030   5.345  10.253
 1009   1HB   LYS  41          HB2       LYS  41 145.086   5.107   9.561
 1010   2HB   LYS  41          HB1       LYS  41 146.075   3.831  10.255
 1011   1HG   LYS  41          HG2       LYS  41 145.748   6.516  11.632
 1012   2HG   LYS  41          HG1       LYS  41 144.600   5.207  11.884
 1013   1HD   LYS  41          HD2       LYS  41 146.472   3.737  12.606
 1014   2HD   LYS  41          HD1       LYS  41 147.585   5.092  12.429
 1015   1HE   LYS  41          HE2       LYS  41 146.841   6.112  14.368
 1016   2HE   LYS  41          HE1       LYS  41 145.167   5.615  14.113
 1017   1HZ   LYS  41          HZ1       LYS  41 145.878   4.373  15.922
 1018   2HZ   LYS  41          HZ2       LYS  41 147.401   4.049  15.243
 1019   3HZ   LYS  41          HZ3       LYS  41 146.013   3.288  14.624
 1020    H    ALA  42           HN       ALA  42 148.584   3.543   8.905
 1021    HA   ALA  42           HA       ALA  42 148.945   4.121   6.136
 1022   1HB   ALA  42          HB1       ALA  42 149.182   1.623   7.804
 1023   2HB   ALA  42          HB2       ALA  42 150.462   2.572   7.051
 1024   3HB   ALA  42          HB3       ALA  42 149.418   1.557   6.057
 1025    H    TYR  43           HN       TYR  43 146.545   2.039   7.757
 1026    HA   TYR  43           HA       TYR  43 145.396   0.972   5.420
 1027   1HB   TYR  43          HB2       TYR  43 143.565   0.275   6.728
 1028   2HB   TYR  43          HB1       TYR  43 144.922   0.314   7.847
 1029    HD1  TYR  43           HD1      TYR  43 142.009   2.279   6.621
 1030    HD2  TYR  43           HD2      TYR  43 144.847   1.676   9.800
 1031    HE1  TYR  43           HE1      TYR  43 140.744   3.844   8.042
 1032    HE2  TYR  43           HE2      TYR  43 143.570   3.257  11.238
 1033    HH   TYR  43           HH       TYR  43 141.788   4.579  11.385
 1034    H    VAL  44           HN       VAL  44 145.230   4.246   6.526
 1035    HA   VAL  44           HA       VAL  44 142.747   4.864   5.062
 1036    HB   VAL  44           HB       VAL  44 144.908   6.792   5.982
 1037   1HG1  VAL  44          HG11      VAL  44 142.996   7.420   4.253
 1038   2HG1  VAL  44          HG12      VAL  44 143.404   8.525   5.554
 1039   3HG1  VAL  44          HG13      VAL  44 141.988   7.497   5.692
 1040   1HG2  VAL  44          HG21      VAL  44 142.367   6.367   7.549
 1041   2HG2  VAL  44          HG22      VAL  44 143.937   6.958   8.091
 1042   3HG2  VAL  44          HG23      VAL  44 143.704   5.250   7.759
 1043    H    VAL  45           HN       VAL  45 146.183   4.904   4.590
 1044    HA   VAL  45           HA       VAL  45 146.126   6.268   2.010
 1045    HB   VAL  45           HB       VAL  45 148.264   4.615   3.374
 1046   1HG1  VAL  45          HG11      VAL  45 149.581   6.140   1.464
 1047   2HG1  VAL  45          HG12      VAL  45 148.109   5.697   0.609
 1048   3HG1  VAL  45          HG13      VAL  45 149.157   4.443   1.265
 1049   1HG2  VAL  45          HG21      VAL  45 147.902   6.631   4.566
 1050   2HG2  VAL  45          HG22      VAL  45 147.719   7.577   3.091
 1051   3HG2  VAL  45          HG23      VAL  45 149.303   6.964   3.556
 1052    H    LEU  46           HN       LEU  46 146.265   2.872   3.092
 1053    HA   LEU  46           HA       LEU  46 146.575   1.766   0.487
 1054   1HB   LEU  46          HB2       LEU  46 146.830   0.288   2.398
 1055   2HB   LEU  46          HB1       LEU  46 145.211   0.665   2.972
 1056    HG   LEU  46           HG       LEU  46 144.296  -0.416   0.869
 1057   1HD1  LEU  46          HD11      LEU  46 147.099  -1.514   0.560
 1058   2HD1  LEU  46          HD12      LEU  46 146.458  -0.225  -0.453
 1059   3HD1  LEU  46          HD13      LEU  46 145.712  -1.813  -0.482
 1060   1HD2  LEU  46          HD21      LEU  46 146.042  -2.222   2.530
 1061   2HD2  LEU  46          HD22      LEU  46 144.578  -2.673   1.662
 1062   3HD2  LEU  46          HD23      LEU  46 144.478  -1.594   3.056
 1063    H    GLY  47           HN       GLY  47 143.838   3.003   2.276
 1064   1HA   GLY  47          HA2       GLY  47 141.728   2.075   0.611
 1065   2HA   GLY  47          HA1       GLY  47 141.671   3.546   1.580
 1066    H    GLN  48           HN       GLN  48 143.807   4.949   0.365
 1067    HA   GLN  48           HA       GLN  48 142.465   6.160  -1.836
 1068   1HB   GLN  48          HB2       GLN  48 145.270   6.257  -0.770
 1069   2HB   GLN  48          HB1       GLN  48 144.859   7.079  -2.279
 1070   1HG   GLN  48          HG2       GLN  48 143.079   7.449   0.116
 1071   2HG   GLN  48          HG1       GLN  48 144.572   8.373   0.019
 1072   1HE2  GLN  48          HE21      GLN  48 141.356   8.615  -0.720
 1073   2HE2  GLN  48          HE22      GLN  48 141.447   9.686  -2.032
 1074    H    PHE  49           HN       PHE  49 145.051   3.728  -1.706
 1075    HA   PHE  49           HA       PHE  49 145.529   3.478  -4.501
 1076   1HB   PHE  49          HB2       PHE  49 146.976   2.508  -2.757
 1077   2HB   PHE  49          HB1       PHE  49 145.694   1.389  -2.307
 1078    HD1  PHE  49           HD1      PHE  49 147.801   2.450  -5.226
 1079    HD2  PHE  49           HD2      PHE  49 145.515  -0.700  -3.377
 1080    HE1  PHE  49           HE1      PHE  49 148.608   0.850  -6.953
 1081    HE2  PHE  49           HE2      PHE  49 146.317  -2.299  -5.105
 1082    HZ   PHE  49           HZ       PHE  49 147.866  -1.525  -6.892
 1083    H    LEU  50           HN       LEU  50 143.199   1.902  -2.378
 1084    HA   LEU  50           HA       LEU  50 142.131   0.137  -4.418
 1085   1HB   LEU  50          HB2       LEU  50 140.787   1.160  -1.907
 1086   2HB   LEU  50          HB1       LEU  50 140.282  -0.237  -2.852
 1087    HG   LEU  50           HG       LEU  50 142.955   0.044  -1.436
 1088   1HD1  LEU  50          HD11      LEU  50 140.627  -1.756  -0.740
 1089   2HD1  LEU  50          HD12      LEU  50 140.885  -0.181   0.002
 1090   3HD1  LEU  50          HD13      LEU  50 142.082  -1.458   0.213
 1091   1HD2  LEU  50          HD21      LEU  50 143.572  -2.014  -2.252
 1092   2HD2  LEU  50          HD22      LEU  50 142.502  -1.600  -3.577
 1093   3HD2  LEU  50          HD23      LEU  50 141.925  -2.603  -2.278
 1094    H    VAL  51           HN       VAL  51 141.258   3.374  -3.299
 1095    HA   VAL  51           HA       VAL  51 138.866   3.632  -4.863
 1096    HB   VAL  51           HB       VAL  51 140.783   5.693  -3.745
 1097   1HG1  VAL  51          HG11      VAL  51 138.530   6.007  -5.617
 1098   2HG1  VAL  51          HG12      VAL  51 139.768   7.169  -5.148
 1099   3HG1  VAL  51          HG13      VAL  51 138.334   6.960  -4.147
 1100   1HG2  VAL  51          HG21      VAL  51 138.088   4.597  -2.892
 1101   2HG2  VAL  51          HG22      VAL  51 138.834   6.018  -2.161
 1102   3HG2  VAL  51          HG23      VAL  51 139.620   4.445  -2.035
 1103    H    LEU  52           HN       LEU  52 142.275   4.036  -5.650
 1104    HA   LEU  52           HA       LEU  52 141.648   5.333  -8.232
 1105   1HB   LEU  52          HB2       LEU  52 144.264   4.357  -7.068
 1106   2HB   LEU  52          HB1       LEU  52 144.099   5.257  -8.576
 1107    HG   LEU  52           HG       LEU  52 143.184   6.255  -5.860
 1108   1HD1  LEU  52          HD11      LEU  52 145.449   6.497  -5.620
 1109   2HD1  LEU  52          HD12      LEU  52 145.182   7.924  -6.623
 1110   3HD1  LEU  52          HD13      LEU  52 145.734   6.420  -7.356
 1111   1HD2  LEU  52          HD21      LEU  52 142.859   7.215  -8.652
 1112   2HD2  LEU  52          HD22      LEU  52 143.421   8.438  -7.515
 1113   3HD2  LEU  52          HD23      LEU  52 141.908   7.587  -7.214
 1114    H    LYS  53           HN       LYS  53 141.025   2.343  -7.417
 1115    HA   LYS  53           HA       LYS  53 141.031   0.278  -8.546
 1116   1HB   LYS  53          HB2       LYS  53 141.188   2.186 -10.890
 1117   2HB   LYS  53          HB1       LYS  53 140.781   0.476 -11.015
 1118   1HG   LYS  53          HG2       LYS  53 138.825   0.826  -9.558
 1119   2HG   LYS  53          HG1       LYS  53 139.230   2.539  -9.423
 1120   1HD   LYS  53          HD2       LYS  53 139.045   2.737 -11.907
 1121   2HD   LYS  53          HD1       LYS  53 138.516   1.056 -11.970
 1122   1HE   LYS  53          HE2       LYS  53 136.573   1.577 -10.583
 1123   2HE   LYS  53          HE1       LYS  53 137.118   3.246 -10.408
 1124   1HZ   LYS  53          HZ1       LYS  53 136.831   3.617 -12.722
 1125   2HZ   LYS  53          HZ2       LYS  53 135.402   2.894 -12.155
 1126   3HZ   LYS  53          HZ3       LYS  53 136.536   1.974 -13.023
 1127    H    LYS  54           HN       LYS  54 143.660   1.191  -7.710
 1128    HA   LYS  54           HA       LYS  54 145.902   0.584  -7.996
 1129   1HB   LYS  54          HB2       LYS  54 144.988  -1.309 -10.172
 1130   2HB   LYS  54          HB1       LYS  54 146.377  -1.460  -9.103
 1131   1HG   LYS  54          HG2       LYS  54 144.849  -1.769  -7.177
 1132   2HG   LYS  54          HG1       LYS  54 143.471  -1.653  -8.278
 1133   1HD   LYS  54          HD2       LYS  54 144.687  -3.569  -9.607
 1134   2HD   LYS  54          HD1       LYS  54 145.581  -3.812  -8.110
 1135   1HE   LYS  54          HE2       LYS  54 142.599  -3.677  -7.870
 1136   2HE   LYS  54          HE1       LYS  54 143.277  -5.107  -8.636
 1137   1HZ   LYS  54          HZ1       LYS  54 143.057  -4.730  -5.981
 1138   2HZ   LYS  54          HZ2       LYS  54 144.678  -4.301  -6.261
 1139   3HZ   LYS  54          HZ3       LYS  54 144.108  -5.833  -6.726
 1140    H    ASP  55           HN       ASP  55 144.458   2.581  -9.965
 1141    HA   ASP  55           HA       ASP  55 145.917   2.255 -12.444
 1142   1HB   ASP  55          HB2       ASP  55 143.977   3.668 -12.479
 1143   2HB   ASP  55          HB1       ASP  55 144.595   4.655 -11.166
 1144    H    GLU  56           HN       GLU  56 148.102   2.151 -12.381
 1145    HA   GLU  56           HA       GLU  56 149.706   3.167 -10.283
 1146   1HB   GLU  56          HB2       GLU  56 150.382   1.361 -11.832
 1147   2HB   GLU  56          HB1       GLU  56 150.497   2.541 -13.137
 1148   1HG   GLU  56          HG2       GLU  56 152.245   3.752 -11.948
 1149   2HG   GLU  56          HG1       GLU  56 152.076   2.685 -10.553
 1150    H    ASP  57           HN       ASP  57 148.868   4.618 -13.438
 1151    HA   ASP  57           HA       ASP  57 150.686   6.838 -13.101
 1152   1HB   ASP  57          HB2       ASP  57 148.224   6.473 -14.826
 1153   2HB   ASP  57          HB1       ASP  57 149.242   7.913 -14.888
 1154    H    LEU  58           HN       LEU  58 147.262   6.366 -12.335
 1155    HA   LEU  58           HA       LEU  58 146.922   9.112 -11.428
 1156   1HB   LEU  58          HB2       LEU  58 145.287   6.650 -10.852
 1157   2HB   LEU  58          HB1       LEU  58 144.862   8.247 -10.272
 1158    HG   LEU  58           HG       LEU  58 145.295   7.621 -13.207
 1159   1HD1  LEU  58          HD11      LEU  58 143.208   6.767 -13.362
 1160   2HD1  LEU  58          HD12      LEU  58 142.520   8.120 -12.472
 1161   3HD1  LEU  58          HD13      LEU  58 143.140   6.719 -11.603
 1162   1HD2  LEU  58          HD21      LEU  58 143.790   9.744 -13.319
 1163   2HD2  LEU  58          HD22      LEU  58 145.479   9.964 -12.881
 1164   3HD2  LEU  58          HD23      LEU  58 144.236   9.973 -11.630
 1165    H    PHE  59           HN       PHE  59 147.764   6.059  -9.848
 1166    HA   PHE  59           HA       PHE  59 147.716   7.086  -7.167
 1167   1HB   PHE  59          HB2       PHE  59 147.745   4.675  -7.592
 1168   2HB   PHE  59          HB1       PHE  59 149.340   4.811  -8.335
 1169    HD1  PHE  59           HD1      PHE  59 147.449   5.017  -5.153
 1170    HD2  PHE  59           HD2      PHE  59 151.342   5.151  -6.997
 1171    HE1  PHE  59           HE1      PHE  59 148.513   4.821  -2.914
 1172    HE2  PHE  59           HE2      PHE  59 152.409   4.953  -4.758
 1173    HZ   PHE  59           HZ       PHE  59 150.993   4.791  -2.717
 1174    H    ARG  60           HN       ARG  60 150.444   6.685  -9.464
 1175    HA   ARG  60           HA       ARG  60 152.358   7.818  -7.676
 1176   1HB   ARG  60          HB2       ARG  60 152.392   7.724 -10.708
 1177   2HB   ARG  60          HB1       ARG  60 153.773   8.164  -9.699
 1178   1HG   ARG  60          HG2       ARG  60 153.443   5.928  -8.509
 1179   2HG   ARG  60          HG1       ARG  60 152.332   5.507  -9.781
 1180   1HD   ARG  60          HD2       ARG  60 155.258   6.148 -10.111
 1181   2HD   ARG  60          HD1       ARG  60 154.500   4.584 -10.304
 1182    HE   ARG  60           HE       ARG  60 153.330   6.666 -12.021
 1183   1HH1  ARG  60          HH21      ARG  60 155.867   4.378 -11.642
 1184   2HH1  ARG  60          HH22      ARG  60 156.336   4.421 -13.308
 1185   1HH2  ARG  60          HH11      ARG  60 153.936   6.758 -14.197
 1186   2HH2  ARG  60          HH12      ARG  60 155.244   5.773 -14.755
 1187    H    GLU  61           HN       GLU  61 150.291   9.363 -10.162
 1188    HA   GLU  61           HA       GLU  61 151.443  11.974  -9.802
 1189   1HB   GLU  61          HB2       GLU  61 149.676  10.957 -11.586
 1190   2HB   GLU  61          HB1       GLU  61 148.547  11.755 -10.493
 1191   1HG   GLU  61          HG2       GLU  61 149.685  13.881 -10.770
 1192   2HG   GLU  61          HG1       GLU  61 150.971  13.118 -11.705
 1193    H    TRP  62           HN       TRP  62 148.760  10.239  -8.231
 1194    HA   TRP  62           HA       TRP  62 147.866  12.427  -6.627
 1195   1HB   TRP  62          HB2       TRP  62 146.428  10.541  -6.870
 1196   2HB   TRP  62          HB1       TRP  62 147.663   9.439  -6.258
 1197    HD1  TRP  62           HD1      TRP  62 145.916  12.653  -4.952
 1198    HE1  TRP  62           HE1      TRP  62 145.432  12.319  -2.442
 1199    HE3  TRP  62           HE3      TRP  62 147.833   7.980  -4.321
 1200    HZ2  TRP  62           HZ2      TRP  62 145.820  10.312  -0.427
 1201    HZ3  TRP  62           HZ3      TRP  62 147.768   6.873  -2.109
 1202    HH2  TRP  62           HH2      TRP  62 146.780   8.031  -0.163
 1203    H    LEU  63           HN       LEU  63 150.153   9.787  -5.838
 1204    HA   LEU  63           HA       LEU  63 150.656  10.743  -3.179
 1205   1HB   LEU  63          HB2       LEU  63 151.373   8.517  -4.696
 1206   2HB   LEU  63          HB1       LEU  63 152.902   9.346  -4.421
 1207    HG   LEU  63           HG       LEU  63 152.412   7.716  -2.625
 1208   1HD1  LEU  63          HD11      LEU  63 152.584  10.643  -2.049
 1209   2HD1  LEU  63          HD12      LEU  63 153.757   9.369  -1.725
 1210   3HD1  LEU  63          HD13      LEU  63 152.339   9.544  -0.695
 1211   1HD2  LEU  63          HD21      LEU  63 150.255   9.345  -1.452
 1212   2HD2  LEU  63          HD22      LEU  63 150.404   7.590  -1.550
 1213   3HD2  LEU  63          HD23      LEU  63 149.803   8.502  -2.934
 1214    H    LYS  64           HN       LYS  64 152.432  11.125  -6.215
 1215    HA   LYS  64           HA       LYS  64 154.534  12.756  -5.183
 1216   1HB   LYS  64          HB2       LYS  64 154.519  11.651  -7.437
 1217   2HB   LYS  64          HB1       LYS  64 153.361  12.868  -7.971
 1218   1HG   LYS  64          HG2       LYS  64 154.953  14.650  -7.598
 1219   2HG   LYS  64          HG1       LYS  64 156.077  13.540  -6.811
 1220   1HD   LYS  64          HD2       LYS  64 156.281  12.276  -8.930
 1221   2HD   LYS  64          HD1       LYS  64 155.200  13.430  -9.711
 1222   1HE   LYS  64          HE2       LYS  64 156.789  15.245  -9.343
 1223   2HE   LYS  64          HE1       LYS  64 157.842  14.192  -8.396
 1224   1HZ   LYS  64          HZ1       LYS  64 158.314  12.888 -10.294
 1225   2HZ   LYS  64          HZ2       LYS  64 158.510  14.511 -10.761
 1226   3HZ   LYS  64          HZ3       LYS  64 157.115  13.654 -11.217
 1227    H    ASP  65           HN       ASP  65 151.496  13.686  -6.785
 1228    HA   ASP  65           HA       ASP  65 151.910  16.510  -6.472
 1229   1HB   ASP  65          HB2       ASP  65 150.196  15.119  -7.955
 1230   2HB   ASP  65          HB1       ASP  65 149.130  15.419  -6.587
 1231    H    THR  66           HN       THR  66 150.590  14.036  -4.373
 1232    HA   THR  66           HA       THR  66 149.355  15.946  -2.545
 1233    HB   THR  66           HB       THR  66 149.944  12.986  -2.219
 1234    HG1  THR  66           HG1      THR  66 147.371  13.761  -2.519
 1235   1HG2  THR  66          HG21      THR  66 148.993  13.069  -0.146
 1236   2HG2  THR  66          HG22      THR  66 147.666  14.060  -0.740
 1237   3HG2  THR  66          HG23      THR  66 149.158  14.822  -0.216
 1238    H    CYS  67           HN       CYS  67 152.490  14.216  -2.662
 1239    HA   CYS  67           HA       CYS  67 153.282  15.790  -0.222
 1240   1HB   CYS  67          HB2       CYS  67 154.498  13.890   0.610
 1241   2HB   CYS  67          HB1       CYS  67 152.855  13.363   0.254
 1242    HG   CYS  67           HG       CYS  67 153.688  12.111  -1.816
 1243    H    GLY  68           HN       GLY  68 154.293  14.445  -3.321
 1244   1HA   GLY  68          HA2       GLY  68 155.957  15.660  -4.653
 1245   2HA   GLY  68          HA1       GLY  68 156.759  16.143  -3.158
 1246    H    ALA  69           HN       ALA  69 155.663  12.897  -3.128
 1247    HA   ALA  69           HA       ALA  69 158.197  11.749  -2.722
 1248   1HB   ALA  69          HB1       ALA  69 157.115   9.597  -3.501
 1249   2HB   ALA  69          HB2       ALA  69 155.698  10.547  -3.939
 1250   3HB   ALA  69          HB3       ALA  69 156.207  10.453  -2.252
 1251    H    ASN  70           HN       ASN  70 159.600  10.537  -4.207
 1252    HA   ASN  70           HA       ASN  70 159.683  11.800  -6.871
 1253   1HB   ASN  70          HB2       ASN  70 161.526   9.886  -5.410
 1254   2HB   ASN  70          HB1       ASN  70 161.829  10.474  -7.045
 1255   1HD2  ASN  70          HD21      ASN  70 163.667  11.792  -6.529
 1256   2HD2  ASN  70          HD22      ASN  70 163.559  13.164  -5.536
 1257    H    ALA  71           HN       ALA  71 160.174  10.315  -8.756
 1258    HA   ALA  71           HA       ALA  71 158.053   8.504  -9.227
 1259   1HB   ALA  71          HB1       ALA  71 159.744   7.598 -11.031
 1260   2HB   ALA  71          HB2       ALA  71 160.759   8.936 -10.490
 1261   3HB   ALA  71          HB3       ALA  71 159.163   9.258 -11.167
 1262    H    LYS  72           HN       LYS  72 161.249   8.055  -7.852
 1263    HA   LYS  72           HA       LYS  72 161.343   5.204  -7.927
 1264   1HB   LYS  72          HB2       LYS  72 163.194   6.913  -7.667
 1265   2HB   LYS  72          HB1       LYS  72 162.672   7.116  -6.001
 1266   1HG   LYS  72          HG2       LYS  72 163.225   4.838  -5.465
 1267   2HG   LYS  72          HG1       LYS  72 163.513   4.454  -7.169
 1268   1HD   LYS  72          HD2       LYS  72 165.393   5.972  -7.269
 1269   2HD   LYS  72          HD1       LYS  72 165.051   6.584  -5.655
 1270   1HE   LYS  72          HE2       LYS  72 166.109   4.820  -4.643
 1271   2HE   LYS  72          HE1       LYS  72 165.469   3.646  -5.796
 1272   1HZ   LYS  72          HZ1       LYS  72 167.232   3.869  -7.135
 1273   2HZ   LYS  72          HZ2       LYS  72 168.009   4.477  -5.752
 1274   3HZ   LYS  72          HZ3       LYS  72 167.353   5.545  -6.899
 1275    H    GLN  73           HN       GLN  73 160.524   7.434  -5.241
 1276    HA   GLN  73           HA       GLN  73 160.027   5.330  -3.366
 1277   1HB   GLN  73          HB2       GLN  73 158.984   8.173  -3.344
 1278   2HB   GLN  73          HB1       GLN  73 159.062   7.080  -1.958
 1279   1HG   GLN  73          HG2       GLN  73 161.602   6.887  -2.544
 1280   2HG   GLN  73          HG1       GLN  73 161.332   8.356  -3.482
 1281   1HE2  GLN  73          HE21      GLN  73 162.420   7.392  -0.541
 1282   2HE2  GLN  73          HE22      GLN  73 161.970   8.730   0.402
 1283    H    SER  74           HN       SER  74 157.991   6.908  -5.730
 1284    HA   SER  74           HA       SER  74 155.517   5.941  -4.605
 1285   1HB   SER  74          HB2       SER  74 154.500   6.651  -6.655
 1286   2HB   SER  74          HB1       SER  74 155.714   7.846  -6.235
 1287    HG   SER  74           HG       SER  74 156.327   7.449  -8.224
 1288    H    ARG  75           HN       ARG  75 157.885   4.591  -6.909
 1289    HA   ARG  75           HA       ARG  75 156.285   2.400  -7.805
 1290   1HB   ARG  75          HB2       ARG  75 159.282   2.648  -7.453
 1291   2HB   ARG  75          HB1       ARG  75 158.511   1.226  -8.155
 1292   1HG   ARG  75          HG2       ARG  75 157.366   2.880  -9.777
 1293   2HG   ARG  75          HG1       ARG  75 158.564   4.040  -9.226
 1294   1HD   ARG  75          HD2       ARG  75 160.360   2.487  -9.899
 1295   2HD   ARG  75          HD1       ARG  75 159.161   1.320 -10.413
 1296    HE   ARG  75           HE       ARG  75 159.025   4.099 -11.552
 1297   1HH1  ARG  75          HH21      ARG  75 159.936   0.808 -11.949
 1298   2HH1  ARG  75          HH22      ARG  75 160.268   0.976 -13.640
 1299   1HH2  ARG  75          HH11      ARG  75 159.462   4.348 -13.730
 1300   2HH2  ARG  75          HH12      ARG  75 160.003   2.983 -14.649
 1301    H    ASP  76           HN       ASP  76 158.342   2.775  -4.922
 1302    HA   ASP  76           HA       ASP  76 158.111   0.056  -4.074
 1303   1HB   ASP  76          HB2       ASP  76 158.653   2.617  -2.552
 1304   2HB   ASP  76          HB1       ASP  76 158.725   1.018  -1.810
 1305    H    CYS  77           HN       CYS  77 156.106   2.935  -3.432
 1306    HA   CYS  77           HA       CYS  77 154.408   1.597  -1.524
 1307   1HB   CYS  77          HB2       CYS  77 154.027   4.054  -3.253
 1308   2HB   CYS  77          HB1       CYS  77 152.839   3.510  -2.069
 1309    HG   CYS  77           HG       CYS  77 155.471   3.704  -0.675
 1310    H    PHE  78           HN       PHE  78 154.245   2.104  -5.061
 1311    HA   PHE  78           HA       PHE  78 151.623   1.066  -5.415
 1312   1HB   PHE  78          HB2       PHE  78 152.856   2.219  -7.210
 1313   2HB   PHE  78          HB1       PHE  78 153.999   0.878  -7.292
 1314    HD1  PHE  78           HD1      PHE  78 150.548   1.973  -8.013
 1315    HD2  PHE  78           HD2      PHE  78 153.354  -1.291  -8.229
 1316    HE1  PHE  78           HE1      PHE  78 149.027   0.768  -9.571
 1317    HE2  PHE  78           HE2      PHE  78 151.831  -2.496  -9.785
 1318    HZ   PHE  78           HZ       PHE  78 149.667  -1.467 -10.456
 1319    H    GLY  79           HN       GLY  79 154.701  -0.677  -5.974
 1320   1HA   GLY  79          HA2       GLY  79 153.479  -3.244  -6.151
 1321   2HA   GLY  79          HA1       GLY  79 155.187  -2.959  -5.826
 1322    H    CYS  80           HN       CYS  80 154.678  -1.416  -3.372
 1323    HA   CYS  80           HA       CYS  80 154.570  -3.655  -1.530
 1324   1HB   CYS  80          HB2       CYS  80 155.896  -1.672  -1.014
 1325   2HB   CYS  80          HB1       CYS  80 154.443  -0.673  -1.014
 1326    HG   CYS  80           HG       CYS  80 154.335  -3.006   0.979
 1327    H    LEU  81           HN       LEU  81 152.305  -0.949  -2.204
 1328    HA   LEU  81           HA       LEU  81 150.292  -1.983  -0.398
 1329   1HB   LEU  81          HB2       LEU  81 150.048  -0.127  -2.786
 1330   2HB   LEU  81          HB1       LEU  81 148.784  -0.402  -1.591
 1331    HG   LEU  81           HG       LEU  81 151.547   0.644  -0.901
 1332   1HD1  LEU  81          HD11      LEU  81 150.013   2.138  -2.410
 1333   2HD1  LEU  81          HD12      LEU  81 150.732   2.847  -0.967
 1334   3HD1  LEU  81          HD13      LEU  81 149.047   2.333  -0.946
 1335   1HD2  LEU  81          HD21      LEU  81 150.656  -0.233   1.082
 1336   2HD2  LEU  81          HD22      LEU  81 148.998   0.172   0.640
 1337   3HD2  LEU  81          HD23      LEU  81 150.108   1.440   1.154
 1338    H    ARG  82           HN       ARG  82 150.939  -2.273  -3.879
 1339    HA   ARG  82           HA       ARG  82 148.537  -3.714  -4.480
 1340   1HB   ARG  82          HB2       ARG  82 149.901  -2.608  -6.220
 1341   2HB   ARG  82          HB1       ARG  82 151.172  -3.808  -5.964
 1342   1HG   ARG  82          HG2       ARG  82 149.645  -5.613  -6.583
 1343   2HG   ARG  82          HG1       ARG  82 148.316  -4.468  -6.744
 1344   1HD   ARG  82          HD2       ARG  82 149.609  -3.347  -8.569
 1345   2HD   ARG  82          HD1       ARG  82 150.848  -4.578  -8.412
 1346    HE   ARG  82           HE       ARG  82 147.940  -5.335  -8.825
 1347   1HH1  ARG  82          HH21      ARG  82 151.150  -5.182 -10.063
 1348   2HH1  ARG  82          HH22      ARG  82 150.789  -6.179 -11.431
 1349   1HH2  ARG  82          HH11      ARG  82 147.458  -6.611 -10.571
 1350   2HH2  ARG  82          HH12      ARG  82 148.697  -6.988 -11.720
 1351    H    GLU  83           HN       GLU  83 151.803  -4.871  -3.568
 1352    HA   GLU  83           HA       GLU  83 151.092  -7.640  -4.002
 1353   1HB   GLU  83          HB2       GLU  83 153.319  -6.339  -2.416
 1354   2HB   GLU  83          HB1       GLU  83 153.099  -8.086  -2.467
 1355   1HG   GLU  83          HG2       GLU  83 153.010  -7.420  -5.176
 1356   2HG   GLU  83          HG1       GLU  83 154.172  -6.262  -4.553
 1357    H    TRP  84           HN       TRP  84 150.873  -5.447  -1.249
 1358    HA   TRP  84           HA       TRP  84 150.206  -7.407   0.707
 1359   1HB   TRP  84          HB2       TRP  84 150.644  -4.968   1.188
 1360   2HB   TRP  84          HB1       TRP  84 149.119  -4.573   0.408
 1361    HD1  TRP  84           HD1      TRP  84 150.587  -6.016   3.581
 1362    HE1  TRP  84           HE1      TRP  84 148.740  -6.293   5.335
 1363    HE3  TRP  84           HE3      TRP  84 146.516  -5.013   0.666
 1364    HZ2  TRP  84           HZ2      TRP  84 145.857  -6.066   5.482
 1365    HZ3  TRP  84           HZ3      TRP  84 144.228  -5.066   1.629
 1366    HH2  TRP  84           HH2      TRP  84 143.897  -5.617   4.023
 1367    H    CYS  85           HN       CYS  85 148.265  -5.489  -1.545
 1368    HA   CYS  85           HA       CYS  85 145.715  -6.599  -0.971
 1369   1HB   CYS  85          HB2       CYS  85 146.939  -5.340  -3.420
 1370   2HB   CYS  85          HB1       CYS  85 145.279  -5.921  -3.444
 1371    HG   CYS  85           HG       CYS  85 145.063  -3.505  -2.608
 1372    H    ASP  86           HN       ASP  86 148.250  -7.728  -3.214
 1373    HA   ASP  86           HA       ASP  86 146.714  -9.796  -4.439
 1374   1HB   ASP  86          HB2       ASP  86 149.679  -9.556  -3.918
 1375   2HB   ASP  86          HB1       ASP  86 148.966 -10.861  -4.867
 1376    H    ALA  87           HN       ALA  87 148.505  -9.768  -1.383
 1377    HA   ALA  87           HA       ALA  87 147.978 -12.667  -0.982
 1378   1HB   ALA  87          HB1       ALA  87 149.942 -10.818  -0.051
 1379   2HB   ALA  87          HB2       ALA  87 149.800 -12.512   0.407
 1380   3HB   ALA  87          HB3       ALA  87 149.011 -11.268   1.379
 1381    H    PHE  88           HN       PHE  88 146.862  -9.555  -0.140
 1382    HA   PHE  88           HA       PHE  88 145.005 -10.651   1.913
 1383   1HB   PHE  88          HB2       PHE  88 146.359  -7.974   1.377
 1384   2HB   PHE  88          HB1       PHE  88 145.035  -8.080   2.528
 1385    HD1  PHE  88           HD1      PHE  88 148.707  -8.384   2.159
 1386    HD2  PHE  88           HD2      PHE  88 145.539 -10.060   4.771
 1387    HE1  PHE  88           HE1      PHE  88 150.339  -9.016   3.911
 1388    HE2  PHE  88           HE2      PHE  88 147.274 -10.617   6.400
 1389    HZ   PHE  88           HZ       PHE  88 149.634 -10.104   5.987
 1390    H    LEU  89           HN       LEU  89 144.774  -9.511  -1.257
 1391    HA   LEU  89           HA       LEU  89 141.853  -8.908  -0.812
 1392   1HB   LEU  89          HB2       LEU  89 143.388  -6.849  -0.758
 1393   2HB   LEU  89          HB1       LEU  89 143.656  -7.152  -2.462
 1394    HG   LEU  89           HG       LEU  89 141.113  -7.071  -2.758
 1395   1HD1  LEU  89          HD11      LEU  89 140.215  -7.275  -0.569
 1396   2HD1  LEU  89          HD12      LEU  89 140.091  -5.544  -0.878
 1397   3HD1  LEU  89          HD13      LEU  89 141.398  -6.159   0.109
 1398   1HD2  LEU  89          HD21      LEU  89 141.160  -4.542  -2.644
 1399   2HD2  LEU  89          HD22      LEU  89 142.547  -5.248  -3.467
 1400   3HD2  LEU  89          HD23      LEU  89 142.699  -4.683  -1.807
 1401   1H    HIS   1          HT1       HIS   1 136.323  26.191  -7.609
 1402   2H    HIS   1          HT2       HIS   1 137.746  27.036  -7.999
 1403   3H    HIS   1          HT3       HIS   1 137.123  25.888  -9.071
 1404    HA   HIS   1           HA       HIS   1 136.712  28.507  -9.315
 1405   1HB   HIS   1          HB2       HIS   1 134.294  27.094 -10.150
 1406   2HB   HIS   1          HB1       HIS   1 135.553  27.822 -11.136
 1407    HD1  HIS   1           HD1      HIS   1 136.135  24.881  -8.787
 1408    HD2  HIS   1           HD2      HIS   1 135.886  25.673 -12.873
 1409    HE1  HIS   1           HE1      HIS   1 136.856  22.763  -9.976
 1410    HE2  HIS   1           HE2      HIS   1 136.705  23.234 -12.462
 1411    H    ASP   2           HN       ASP   2 134.907  26.415  -7.237
 1412    HA   ASP   2           HA       ASP   2 132.761  28.330  -6.676
 1413   1HB   ASP   2          HB2       ASP   2 133.588  25.685  -5.508
 1414   2HB   ASP   2          HB1       ASP   2 132.489  26.722  -4.601
 1415    H    ASN   3           HN       ASN   3 132.620  29.663  -4.807
 1416    HA   ASN   3           HA       ASN   3 134.838  31.044  -3.947
 1417   1HB   ASN   3          HB2       ASN   3 132.116  30.698  -3.012
 1418   2HB   ASN   3          HB1       ASN   3 133.190  30.808  -1.623
 1419   1HD2  ASN   3          HD21      ASN   3 131.362  32.901  -2.122
 1420   2HD2  ASN   3          HD22      ASN   3 132.213  34.281  -2.621
 1421    H    TYR   4           HN       TYR   4 133.463  28.204  -2.257
 1422    HA   TYR   4           HA       TYR   4 135.719  28.052  -0.444
 1423   1HB   TYR   4          HB2       TYR   4 133.578  26.016  -1.131
 1424   2HB   TYR   4          HB1       TYR   4 134.709  25.886   0.219
 1425    HD1  TYR   4           HD1      TYR   4 131.959  27.934  -1.208
 1426    HD2  TYR   4           HD2      TYR   4 134.407  27.142   2.231
 1427    HE1  TYR   4           HE1      TYR   4 130.496  29.388   0.166
 1428    HE2  TYR   4           HE2      TYR   4 132.941  28.595   3.608
 1429    HH   TYR   4           HH       TYR   4 130.578  29.411   3.538
 1430    H    ALA   5           HN       ALA   5 135.187  26.980  -3.688
 1431    HA   ALA   5           HA       ALA   5 137.029  24.742  -3.578
 1432   1HB   ALA   5          HB1       ALA   5 135.592  24.607  -5.404
 1433   2HB   ALA   5          HB2       ALA   5 137.064  25.223  -6.158
 1434   3HB   ALA   5          HB3       ALA   5 135.755  26.311  -5.757
 1435    H    ASP   6           HN       ASP   6 137.434  28.197  -3.812
 1436    HA   ASP   6           HA       ASP   6 140.107  27.992  -5.003
 1437   1HB   ASP   6          HB2       ASP   6 138.689  30.287  -3.627
 1438   2HB   ASP   6          HB1       ASP   6 140.285  30.416  -4.370
 1439    H    LEU   7           HN       LEU   7 138.869  27.368  -1.954
 1440    HA   LEU   7           HA       LEU   7 141.136  28.301  -0.383
 1441   1HB   LEU   7          HB2       LEU   7 139.040  26.223   0.335
 1442   2HB   LEU   7          HB1       LEU   7 140.069  27.110   1.457
 1443    HG   LEU   7           HG       LEU   7 138.017  28.388  -0.385
 1444   1HD1  LEU   7          HD11      LEU   7 137.917  27.984   2.616
 1445   2HD1  LEU   7          HD12      LEU   7 137.043  26.990   1.457
 1446   3HD1  LEU   7          HD13      LEU   7 136.665  28.705   1.608
 1447   1HD2  LEU   7          HD21      LEU   7 139.738  29.991   0.093
 1448   2HD2  LEU   7          HD22      LEU   7 139.848  29.472   1.774
 1449   3HD2  LEU   7          HD23      LEU   7 138.424  30.347   1.211
 1450    H    SER   8           HN       SER   8 142.894  27.093   0.263
 1451    HA   SER   8           HA       SER   8 143.505  24.726  -1.367
 1452   1HB   SER   8          HB2       SER   8 145.430  25.977  -1.173
 1453   2HB   SER   8          HB1       SER   8 145.029  26.538   0.445
 1454    HG   SER   8           HG       SER   8 145.977  24.836   1.263
 1455    H    ASP   9           HN       ASP   9 144.200  22.664  -0.367
 1456    HA   ASP   9           HA       ASP   9 142.370  21.552   1.433
 1457   1HB   ASP   9          HB2       ASP   9 145.208  20.580   1.536
 1458   2HB   ASP   9          HB1       ASP   9 143.727  19.667   1.358
 1459    H    THR  10           HN       THR  10 145.558  22.952   2.243
 1460    HA   THR  10           HA       THR  10 145.434  22.358   5.027
 1461    HB   THR  10           HB       THR  10 146.761  24.796   3.812
 1462    HG1  THR  10           HG1      THR  10 147.130  22.266   3.193
 1463   1HG2  THR  10          HG21      THR  10 148.458  23.840   5.688
 1464   2HG2  THR  10          HG22      THR  10 146.928  23.328   6.394
 1465   3HG2  THR  10          HG23      THR  10 147.210  25.032   6.042
 1466    H    GLU  11           HN       GLU  11 144.333  25.205   3.206
 1467    HA   GLU  11           HA       GLU  11 143.432  26.614   5.563
 1468   1HB   GLU  11          HB2       GLU  11 142.599  26.977   2.672
 1469   2HB   GLU  11          HB1       GLU  11 142.306  28.121   3.984
 1470   1HG   GLU  11          HG2       GLU  11 144.947  27.872   4.306
 1471   2HG   GLU  11          HG1       GLU  11 144.869  27.436   2.601
 1472    H    LEU  12           HN       LEU  12 141.873  24.409   3.287
 1473    HA   LEU  12           HA       LEU  12 139.211  24.842   4.252
 1474   1HB   LEU  12          HB2       LEU  12 139.998  23.560   2.143
 1475   2HB   LEU  12          HB1       LEU  12 140.221  22.191   3.227
 1476    HG   LEU  12           HG       LEU  12 137.770  22.694   3.977
 1477   1HD1  LEU  12          HD11      LEU  12 137.890  24.070   1.274
 1478   2HD1  LEU  12          HD12      LEU  12 137.548  24.852   2.813
 1479   3HD1  LEU  12          HD13      LEU  12 136.415  23.691   2.145
 1480   1HD2  LEU  12          HD21      LEU  12 137.775  20.677   2.902
 1481   2HD2  LEU  12          HD22      LEU  12 138.857  21.246   1.631
 1482   3HD2  LEU  12          HD23      LEU  12 137.129  21.576   1.531
 1483    H    THR  13           HN       THR  13 141.743  22.539   5.196
 1484    HA   THR  13           HA       THR  13 140.244  21.084   7.124
 1485    HB   THR  13           HB       THR  13 143.200  21.708   7.284
 1486    HG1  THR  13           HG1      THR  13 142.012  19.548   5.907
 1487   1HG2  THR  13          HG21      THR  13 143.276  19.440   8.287
 1488   2HG2  THR  13          HG22      THR  13 141.521  19.336   8.154
 1489   3HG2  THR  13          HG23      THR  13 142.256  20.533   9.220
 1490    H    THR  14           HN       THR  14 142.293  24.007   7.533
 1491    HA   THR  14           HA       THR  14 141.909  24.138  10.363
 1492    HB   THR  14           HB       THR  14 143.639  25.430   8.976
 1493    HG1  THR  14           HG1      THR  14 142.037  26.814  10.856
 1494   1HG2  THR  14          HG21      THR  14 141.480  26.429   7.669
 1495   2HG2  THR  14          HG22      THR  14 143.036  27.232   7.717
 1496   3HG2  THR  14          HG23      THR  14 141.759  27.705   8.834
 1497    H    LEU  15           HN       LEU  15 139.924  25.216   7.653
 1498    HA   LEU  15           HA       LEU  15 138.205  26.942   9.182
 1499   1HB   LEU  15          HB2       LEU  15 137.870  25.496   6.557
 1500   2HB   LEU  15          HB1       LEU  15 136.584  26.487   7.240
 1501    HG   LEU  15           HG       LEU  15 139.396  27.516   6.815
 1502   1HD1  LEU  15          HD11      LEU  15 138.999  27.853   4.623
 1503   2HD1  LEU  15          HD12      LEU  15 137.436  28.594   4.952
 1504   3HD1  LEU  15          HD13      LEU  15 137.560  26.846   4.771
 1505   1HD2  LEU  15          HD21      LEU  15 137.337  29.529   6.700
 1506   2HD2  LEU  15          HD22      LEU  15 138.629  29.351   7.883
 1507   3HD2  LEU  15          HD23      LEU  15 137.078  28.562   8.150
 1508    H    LEU  16           HN       LEU  16 137.903  23.528   8.213
 1509    HA   LEU  16           HA       LEU  16 135.338  23.072   9.382
 1510   1HB   LEU  16          HB2       LEU  16 137.696  21.225   8.898
 1511   2HB   LEU  16          HB1       LEU  16 136.146  20.652   9.505
 1512    HG   LEU  16           HG       LEU  16 136.399  22.235   6.934
 1513   1HD1  LEU  16          HD11      LEU  16 136.379  19.227   7.357
 1514   2HD1  LEU  16          HD12      LEU  16 137.718  20.175   6.714
 1515   3HD1  LEU  16          HD13      LEU  16 136.223  20.025   5.792
 1516   1HD2  LEU  16          HD21      LEU  16 134.257  20.538   8.246
 1517   2HD2  LEU  16          HD22      LEU  16 134.211  20.931   6.530
 1518   3HD2  LEU  16          HD23      LEU  16 134.137  22.216   7.728
 1519    H    ARG  17           HN       ARG  17 138.599  22.974  10.642
 1520    HA   ARG  17           HA       ARG  17 138.017  21.874  13.195
 1521   1HB   ARG  17          HB2       ARG  17 140.311  22.551  11.950
 1522   2HB   ARG  17          HB1       ARG  17 140.159  23.924  13.050
 1523   1HG   ARG  17          HG2       ARG  17 139.767  22.285  14.930
 1524   2HG   ARG  17          HG1       ARG  17 140.126  20.985  13.801
 1525   1HD   ARG  17          HD2       ARG  17 142.207  23.023  13.789
 1526   2HD   ARG  17          HD1       ARG  17 141.973  22.358  15.389
 1527    HE   ARG  17           HE       ARG  17 142.321  20.693  12.836
 1528   1HH1  ARG  17          HH21      ARG  17 143.185  21.376  16.106
 1529   2HH1  ARG  17          HH22      ARG  17 144.269  20.033  16.220
 1530   1HH2  ARG  17          HH11      ARG  17 143.719  18.953  12.977
 1531   2HH2  ARG  17          HH12      ARG  17 144.571  18.667  14.457
 1532    H    ARG  18           HN       ARG  18 138.183  25.289  12.125
 1533    HA   ARG  18           HA       ARG  18 137.663  26.520  14.591
 1534   1HB   ARG  18          HB2       ARG  18 138.196  27.847  12.631
 1535   2HB   ARG  18          HB1       ARG  18 136.739  27.294  11.807
 1536   1HG   ARG  18          HG2       ARG  18 135.347  28.385  13.557
 1537   2HG   ARG  18          HG1       ARG  18 136.814  28.948  14.354
 1538   1HD   ARG  18          HD2       ARG  18 137.034  29.762  11.649
 1539   2HD   ARG  18          HD1       ARG  18 135.384  30.123  12.133
 1540    HE   ARG  18           HE       ARG  18 137.082  30.982  14.232
 1541   1HH1  ARG  18          HH21      ARG  18 136.450  31.599  10.908
 1542   2HH1  ARG  18          HH22      ARG  18 137.000  33.240  10.969
 1543   1HH2  ARG  18          HH11      ARG  18 137.802  33.114  14.343
 1544   2HH2  ARG  18          HH12      ARG  18 137.768  34.099  12.919
 1545    H    TYR  19           HN       TYR  19 135.366  25.073  12.267
 1546    HA   TYR  19           HA       TYR  19 133.142  25.853  14.049
 1547   1HB   TYR  19          HB2       TYR  19 132.967  24.094  11.604
 1548   2HB   TYR  19          HB1       TYR  19 131.703  25.099  12.318
 1549    HD1  TYR  19           HD1      TYR  19 133.845  24.937   9.620
 1550    HD2  TYR  19           HD2      TYR  19 132.640  27.678  12.697
 1551    HE1  TYR  19           HE1      TYR  19 134.561  26.841   8.205
 1552    HE2  TYR  19           HE2      TYR  19 133.347  29.584  11.278
 1553    HH   TYR  19           HH       TYR  19 133.745  29.515   8.170
 1554    H    ASN  20           HN       ASN  20 135.392  23.486  14.180
 1555    HA   ASN  20           HA       ASN  20 135.491  21.432  15.287
 1556   1HB   ASN  20          HB2       ASN  20 132.774  22.203  16.407
 1557   2HB   ASN  20          HB1       ASN  20 133.941  21.086  17.112
 1558   1HD2  ASN  20          HD21      ASN  20 136.199  22.972  16.251
 1559   2HD2  ASN  20          HD22      ASN  20 136.172  24.216  17.407
 1560    H    ILE  21           HN       ILE  21 134.627  21.298  12.637
 1561    HA   ILE  21           HA       ILE  21 132.275  19.475  12.687
 1562    HB   ILE  21           HB       ILE  21 133.650  20.990  10.468
 1563   1HG1  ILE  21          HG12      ILE  21 130.735  20.886  11.278
 1564   2HG1  ILE  21          HG11      ILE  21 131.865  22.024  12.007
 1565   1HG2  ILE  21          HG21      ILE  21 131.706  18.684  10.379
 1566   2HG2  ILE  21          HG22      ILE  21 133.184  18.905   9.441
 1567   3HG2  ILE  21          HG23      ILE  21 131.755  19.875   9.080
 1568   1HD1  ILE  21          HD11      ILE  21 131.241  23.388  10.298
 1569   2HD1  ILE  21          HD12      ILE  21 130.619  22.050   9.338
 1570   3HD1  ILE  21          HD13      ILE  21 132.342  22.415   9.324
 1571    HA   PRO  22           HA       PRO  22 135.425  16.179  12.632
 1572   1HB   PRO  22          HB2       PRO  22 133.124  14.490  11.819
 1573   2HB   PRO  22          HB1       PRO  22 134.244  14.298  13.178
 1574   1HG   PRO  22          HG2       PRO  22 131.679  15.123  13.453
 1575   2HG   PRO  22          HG1       PRO  22 132.980  15.569  14.568
 1576   1HD   PRO  22          HD2       PRO  22 131.596  17.233  12.549
 1577   2HD   PRO  22          HD1       PRO  22 132.475  17.719  14.014
 1578    H    HIS  23           HN       HIS  23 136.654  15.360  10.920
 1579    HA   HIS  23           HA       HIS  23 135.373  14.831   8.344
 1580   1HB   HIS  23          HB2       HIS  23 136.919  16.372   7.117
 1581   2HB   HIS  23          HB1       HIS  23 135.684  17.169   8.078
 1582    HD1  HIS  23           HD1      HIS  23 136.483  18.265  10.369
 1583    HD2  HIS  23           HD2      HIS  23 139.561  16.869   7.922
 1584    HE1  HIS  23           HE1      HIS  23 138.633  19.256  11.280
 1585    HE2  HIS  23           HE2      HIS  23 140.510  18.411   9.799
 1586    H    GLY  24           HN       GLY  24 136.868  13.965   6.772
 1587   1HA   GLY  24          HA2       GLY  24 139.156  12.546   8.066
 1588   2HA   GLY  24          HA1       GLY  24 138.193  11.895   6.738
 1589    HA   PRO  25           HA       PRO  25 141.928  13.707   4.749
 1590   1HB   PRO  25          HB2       PRO  25 141.241  11.784   2.605
 1591   2HB   PRO  25          HB1       PRO  25 142.759  11.974   3.502
 1592   1HG   PRO  25          HG2       PRO  25 141.125   9.885   3.876
 1593   2HG   PRO  25          HG1       PRO  25 142.095  10.579   5.184
 1594   1HD   PRO  25          HD2       PRO  25 139.163  10.907   4.634
 1595   2HD   PRO  25          HD1       PRO  25 140.017  10.753   6.189
 1596    H    VAL  26           HN       VAL  26 141.897  15.415   3.273
 1597    HA   VAL  26           HA       VAL  26 139.339  15.906   1.843
 1598    HB   VAL  26           HB       VAL  26 140.294  17.725   3.227
 1599   1HG1  VAL  26          HG11      VAL  26 142.680  16.880   2.734
 1600   2HG1  VAL  26          HG12      VAL  26 142.436  18.619   2.833
 1601   3HG1  VAL  26          HG13      VAL  26 142.566  17.835   1.261
 1602   1HG2  VAL  26          HG21      VAL  26 139.883  17.990   0.289
 1603   2HG2  VAL  26          HG22      VAL  26 140.720  19.336   1.057
 1604   3HG2  VAL  26          HG23      VAL  26 139.120  18.858   1.618
 1605    H    VAL  27           HN       VAL  27 139.214  15.259  -0.245
 1606    HA   VAL  27           HA       VAL  27 141.595  15.554  -2.001
 1607    HB   VAL  27           HB       VAL  27 139.903  13.031  -2.008
 1608   1HG1  VAL  27          HG11      VAL  27 141.107  13.805  -4.103
 1609   2HG1  VAL  27          HG12      VAL  27 141.535  12.189  -3.541
 1610   3HG1  VAL  27          HG13      VAL  27 142.618  13.546  -3.232
 1611   1HG2  VAL  27          HG21      VAL  27 141.433  11.887  -0.698
 1612   2HG2  VAL  27          HG22      VAL  27 141.536  13.460   0.066
 1613   3HG2  VAL  27          HG23      VAL  27 142.761  12.972  -1.096
 1614    H    GLY  28           HN       GLY  28 140.993  15.904  -4.206
 1615   1HA   GLY  28          HA2       GLY  28 138.702  17.323  -4.813
 1616   2HA   GLY  28          HA1       GLY  28 139.525  16.340  -6.020
 1617    H    SER  29           HN       SER  29 139.008  13.798  -4.691
 1618    HA   SER  29           HA       SER  29 136.473  13.164  -5.846
 1619   1HB   SER  29          HB2       SER  29 137.296  11.080  -5.556
 1620   2HB   SER  29          HB1       SER  29 138.627  11.754  -4.620
 1621    HG   SER  29           HG       SER  29 137.615  10.440  -3.217
 1622    H    THR  30           HN       THR  30 137.381  13.989  -2.505
 1623    HA   THR  30           HA       THR  30 134.457  13.953  -1.830
 1624    HB   THR  30           HB       THR  30 136.677  13.688   0.210
 1625    HG1  THR  30           HG1      THR  30 135.405  11.401  -0.691
 1626   1HG2  THR  30          HG21      THR  30 134.937  13.512   1.638
 1627   2HG2  THR  30          HG22      THR  30 134.364  12.100   0.753
 1628   3HG2  THR  30          HG23      THR  30 133.807  13.703   0.301
 1629    H    ARG  31           HN       ARG  31 136.919  15.971  -2.564
 1630    HA   ARG  31           HA       ARG  31 136.907  17.927  -0.487
 1631   1HB   ARG  31          HB2       ARG  31 138.503  18.027  -2.367
 1632   2HB   ARG  31          HB1       ARG  31 137.169  18.329  -3.483
 1633   1HG   ARG  31          HG2       ARG  31 136.625  20.384  -2.001
 1634   2HG   ARG  31          HG1       ARG  31 138.208  20.131  -1.286
 1635   1HD   ARG  31          HD2       ARG  31 138.475  20.066  -4.148
 1636   2HD   ARG  31          HD1       ARG  31 137.571  21.502  -3.698
 1637    HE   ARG  31           HE       ARG  31 139.784  21.234  -1.919
 1638   1HH1  ARG  31          HH21      ARG  31 139.019  21.837  -5.215
 1639   2HH1  ARG  31          HH22      ARG  31 140.498  22.676  -5.544
 1640   1HH2  ARG  31          HH11      ARG  31 141.715  22.311  -2.313
 1641   2HH2  ARG  31          HH12      ARG  31 142.031  22.943  -3.893
 1642    H    ARG  32           HN       ARG  32 134.798  17.517  -3.341
 1643    HA   ARG  32           HA       ARG  32 133.342  19.920  -3.032
 1644   1HB   ARG  32          HB2       ARG  32 133.093  18.516  -5.017
 1645   2HB   ARG  32          HB1       ARG  32 132.384  17.227  -4.041
 1646   1HG   ARG  32          HG2       ARG  32 130.536  18.782  -3.388
 1647   2HG   ARG  32          HG1       ARG  32 131.231  20.003  -4.448
 1648   1HD   ARG  32          HD2       ARG  32 131.051  17.857  -6.141
 1649   2HD   ARG  32          HD1       ARG  32 129.654  17.600  -5.100
 1650    HE   ARG  32           HE       ARG  32 129.661  20.337  -5.800
 1651   1HH1  ARG  32          HH21      ARG  32 129.412  17.223  -7.232
 1652   2HH1  ARG  32          HH22      ARG  32 128.559  17.788  -8.631
 1653   1HH2  ARG  32          HH11      ARG  32 128.570  21.106  -7.611
 1654   2HH2  ARG  32          HH12      ARG  32 128.084  19.995  -8.847
 1655    H    LEU  33           HN       LEU  33 132.724  16.702  -1.659
 1656    HA   LEU  33           HA       LEU  33 130.304  17.373  -0.375
 1657   1HB   LEU  33          HB2       LEU  33 131.102  15.051  -0.539
 1658   2HB   LEU  33          HB1       LEU  33 132.436  15.437   0.539
 1659    HG   LEU  33           HG       LEU  33 130.758  16.033   2.317
 1660   1HD1  LEU  33          HD11      LEU  33 128.805  16.458   0.806
 1661   2HD1  LEU  33          HD12      LEU  33 128.437  15.286   2.055
 1662   3HD1  LEU  33          HD13      LEU  33 128.769  14.742   0.414
 1663   1HD2  LEU  33          HD21      LEU  33 130.036  13.238   1.603
 1664   2HD2  LEU  33          HD22      LEU  33 130.775  13.873   3.071
 1665   3HD2  LEU  33          HD23      LEU  33 131.766  13.579   1.645
 1666    H    TYR  34           HN       TYR  34 133.667  17.824   0.623
 1667    HA   TYR  34           HA       TYR  34 133.019  18.802   3.257
 1668   1HB   TYR  34          HB2       TYR  34 135.432  19.016   1.468
 1669   2HB   TYR  34          HB1       TYR  34 135.372  19.854   3.021
 1670    HD1  TYR  34           HD1      TYR  34 136.400  16.882   1.496
 1671    HD2  TYR  34           HD2      TYR  34 134.344  18.314   4.975
 1672    HE1  TYR  34           HE1      TYR  34 136.939  14.774   2.689
 1673    HE2  TYR  34           HE2      TYR  34 134.871  16.228   6.164
 1674    HH   TYR  34           HH       TYR  34 135.863  13.462   4.676
 1675    H    GLU  35           HN       GLU  35 133.453  20.408   0.121
 1676    HA   GLU  35           HA       GLU  35 133.396  23.086   1.129
 1677   1HB   GLU  35          HB2       GLU  35 132.468  22.007  -1.547
 1678   2HB   GLU  35          HB1       GLU  35 132.644  23.720  -1.168
 1679   1HG   GLU  35          HG2       GLU  35 135.044  23.327  -0.644
 1680   2HG   GLU  35          HG1       GLU  35 134.847  21.642  -1.127
 1681    H    LYS  36           HN       LYS  36 130.813  20.829   0.202
 1682    HA   LYS  36           HA       LYS  36 128.691  22.744   0.446
 1683   1HB   LYS  36          HB2       LYS  36 128.535  20.560  -0.766
 1684   2HB   LYS  36          HB1       LYS  36 128.556  19.741   0.796
 1685   1HG   LYS  36          HG2       LYS  36 126.521  20.894   1.478
 1686   2HG   LYS  36          HG1       LYS  36 126.522  21.839  -0.012
 1687   1HD   LYS  36          HD2       LYS  36 126.288  19.758  -1.327
 1688   2HD   LYS  36          HD1       LYS  36 126.260  18.821   0.168
 1689   1HE   LYS  36          HE2       LYS  36 124.280  20.315   0.862
 1690   2HE   LYS  36          HE1       LYS  36 124.217  20.810  -0.829
 1691   1HZ   LYS  36          HZ1       LYS  36 122.924  18.699   0.114
 1692   2HZ   LYS  36          HZ2       LYS  36 124.383  17.952  -0.331
 1693   3HZ   LYS  36          HZ3       LYS  36 123.475  18.804  -1.487
 1694    H    LYS  37           HN       LYS  37 130.212  20.467   2.709
 1695    HA   LYS  37           HA       LYS  37 128.357  20.790   4.841
 1696   1HB   LYS  37          HB2       LYS  37 131.320  20.182   4.941
 1697   2HB   LYS  37          HB1       LYS  37 130.227  20.053   6.320
 1698   1HG   LYS  37          HG2       LYS  37 128.845  18.588   4.495
 1699   2HG   LYS  37          HG1       LYS  37 130.489  18.304   3.939
 1700   1HD   LYS  37          HD2       LYS  37 131.123  17.655   6.265
 1701   2HD   LYS  37          HD1       LYS  37 129.426  17.804   6.720
 1702   1HE   LYS  37          HE2       LYS  37 129.528  16.188   4.361
 1703   2HE   LYS  37          HE1       LYS  37 130.727  15.563   5.495
 1704   1HZ   LYS  37          HZ1       LYS  37 128.524  14.615   5.849
 1705   2HZ   LYS  37          HZ2       LYS  37 127.902  16.166   6.161
 1706   3HZ   LYS  37          HZ3       LYS  37 129.060  15.485   7.202
 1707    H    ILE  38           HN       ILE  38 131.340  22.643   4.097
 1708    HA   ILE  38           HA       ILE  38 131.146  24.290   6.426
 1709    HB   ILE  38           HB       ILE  38 132.371  24.914   3.726
 1710   1HG1  ILE  38          HG12      ILE  38 133.770  23.761   6.148
 1711   2HG1  ILE  38          HG11      ILE  38 133.120  22.741   4.857
 1712   1HG2  ILE  38          HG21      ILE  38 132.761  26.033   6.507
 1713   2HG2  ILE  38          HG22      ILE  38 132.264  26.892   5.052
 1714   3HG2  ILE  38          HG23      ILE  38 133.912  26.293   5.195
 1715   1HD1  ILE  38          HD11      ILE  38 134.848  25.087   4.134
 1716   2HD1  ILE  38          HD12      ILE  38 134.578  23.574   3.273
 1717   3HD1  ILE  38          HD13      ILE  38 135.602  23.604   4.701
 1718    H    PHE  39           HN       PHE  39 129.821  24.494   3.148
 1719    HA   PHE  39           HA       PHE  39 128.867  27.180   3.288
 1720   1HB   PHE  39          HB2       PHE  39 128.970  25.782   1.201
 1721   2HB   PHE  39          HB1       PHE  39 127.593  24.859   1.806
 1722    HD1  PHE  39           HD1      PHE  39 128.694  27.993   0.306
 1723    HD2  PHE  39           HD2      PHE  39 125.393  25.979   2.177
 1724    HE1  PHE  39           HE1      PHE  39 127.151  29.740  -0.538
 1725    HE2  PHE  39           HE2      PHE  39 123.849  27.726   1.329
 1726    HZ   PHE  39           HZ       PHE  39 124.728  29.607  -0.028
 1727    H    GLU  40           HN       GLU  40 127.316  24.095   4.114
 1728    HA   GLU  40           HA       GLU  40 124.780  25.192   4.847
 1729   1HB   GLU  40          HB2       GLU  40 125.122  22.776   4.487
 1730   2HB   GLU  40          HB1       GLU  40 126.124  22.701   5.937
 1731   1HG   GLU  40          HG2       GLU  40 124.293  23.221   7.361
 1732   2HG   GLU  40          HG1       GLU  40 123.288  23.744   6.011
 1733    H    TYR  41           HN       TYR  41 127.695  24.616   6.826
 1734    HA   TYR  41           HA       TYR  41 126.469  25.459   9.306
 1735   1HB   TYR  41          HB2       TYR  41 128.567  24.094   9.115
 1736   2HB   TYR  41          HB1       TYR  41 129.397  25.542   8.549
 1737    HD1  TYR  41           HD1      TYR  41 127.508  24.089  11.396
 1738    HD2  TYR  41           HD2      TYR  41 130.106  27.239  10.067
 1739    HE1  TYR  41           HE1      TYR  41 127.832  24.811  13.746
 1740    HE2  TYR  41           HE2      TYR  41 130.422  27.965  12.413
 1741    HH   TYR  41           HH       TYR  41 130.165  26.467  14.846
 1742    H    GLU  42           HN       GLU  42 128.743  27.102   7.097
 1743    HA   GLU  42           HA       GLU  42 128.761  29.641   8.323
 1744   1HB   GLU  42          HB2       GLU  42 128.909  28.962   5.375
 1745   2HB   GLU  42          HB1       GLU  42 129.384  30.500   6.089
 1746   1HG   GLU  42          HG2       GLU  42 130.587  27.919   7.066
 1747   2HG   GLU  42          HG1       GLU  42 131.221  28.740   5.642
 1748    H    THR  43           HN       THR  43 126.362  28.171   6.115
 1749    HA   THR  43           HA       THR  43 124.923  30.553   5.529
 1750    HB   THR  43           HB       THR  43 124.034  27.663   5.790
 1751    HG1  THR  43           HG1      THR  43 125.465  27.813   4.157
 1752   1HG2  THR  43          HG21      THR  43 122.138  28.402   4.324
 1753   2HG2  THR  43          HG22      THR  43 122.643  30.069   4.599
 1754   3HG2  THR  43          HG23      THR  43 122.094  29.080   5.952
 1755    H    GLN  44           HN       GLN  44 124.665  28.128   8.159
 1756    HA   GLN  44           HA       GLN  44 122.392  29.259   9.409
 1757   1HB   GLN  44          HB2       GLN  44 124.712  27.644  10.398
 1758   2HB   GLN  44          HB1       GLN  44 123.659  28.400  11.591
 1759   1HG   GLN  44          HG2       GLN  44 121.699  27.344  10.393
 1760   2HG   GLN  44          HG1       GLN  44 122.865  26.432   9.433
 1761   1HE2  GLN  44          HE21      GLN  44 121.362  24.757  10.860
 1762   2HE2  GLN  44          HE22      GLN  44 122.124  24.225  12.278
 1763    H    ARG  45           HN       ARG  45 125.855  29.992  10.022
 1764    HA   ARG  45           HA       ARG  45 125.351  31.977  11.979
 1765   1HB   ARG  45          HB2       ARG  45 127.664  32.185  10.058
 1766   2HB   ARG  45          HB1       ARG  45 127.611  32.604  11.769
 1767   1HG   ARG  45          HG2       ARG  45 126.923  29.809  11.508
 1768   2HG   ARG  45          HG1       ARG  45 128.391  30.104  10.591
 1769   1HD   ARG  45          HD2       ARG  45 128.113  31.121  13.411
 1770   2HD   ARG  45          HD1       ARG  45 128.582  29.463  13.095
 1771    HE   ARG  45           HE       ARG  45 130.188  31.228  11.493
 1772   1HH1  ARG  45          HH21      ARG  45 129.616  30.254  14.746
 1773   2HH1  ARG  45          HH22      ARG  45 131.194  30.711  15.299
 1774   1HH2  ARG  45          HH11      ARG  45 132.243  31.832  12.188
 1775   2HH2  ARG  45          HH12      ARG  45 132.682  31.607  13.849
 1776    H    ARG  46           HN       ARG  46 125.212  32.118   8.460
 1777    HA   ARG  46           HA       ARG  46 125.026  35.007   8.418
 1778   1HB   ARG  46          HB2       ARG  46 124.493  32.844   6.398
 1779   2HB   ARG  46          HB1       ARG  46 124.002  34.507   6.066
 1780   1HG   ARG  46          HG2       ARG  46 126.362  35.219   6.629
 1781   2HG   ARG  46          HG1       ARG  46 126.796  33.512   6.692
 1782   1HD   ARG  46          HD2       ARG  46 125.596  33.540   4.288
 1783   2HD   ARG  46          HD1       ARG  46 126.107  35.225   4.351
 1784    HE   ARG  46           HE       ARG  46 128.341  33.698   5.128
 1785   1HH1  ARG  46          HH21      ARG  46 126.259  34.117   2.413
 1786   2HH1  ARG  46          HH22      ARG  46 127.421  33.538   1.267
 1787   1HH2  ARG  46          HH11      ARG  46 129.864  32.927   3.651
 1788   2HH2  ARG  46          HH12      ARG  46 129.461  32.861   1.968
 1789    H    ARG  47           HN       ARG  47 122.762  32.457   9.143
 1790    HA   ARG  47           HA       ARG  47 120.493  34.359   8.816
 1791   1HB   ARG  47          HB2       ARG  47 120.829  31.419   8.765
 1792   2HB   ARG  47          HB1       ARG  47 119.406  31.963   9.652
 1793   1HG   ARG  47          HG2       ARG  47 118.772  33.360   7.673
 1794   2HG   ARG  47          HG1       ARG  47 120.127  32.657   6.790
 1795   1HD   ARG  47          HD2       ARG  47 118.498  30.574   8.024
 1796   2HD   ARG  47          HD1       ARG  47 117.531  31.600   6.970
 1797    HE   ARG  47           HE       ARG  47 119.818  31.040   5.485
 1798   1HH1  ARG  47          HH21      ARG  47 117.394  29.265   7.173
 1799   2HH1  ARG  47          HH22      ARG  47 117.465  27.899   6.112
 1800   1HH2  ARG  47          HH11      ARG  47 119.924  29.268   4.086
 1801   2HH2  ARG  47          HH12      ARG  47 118.897  27.901   4.362