*HEADER    VIRAL PROTEIN                           05-NOV-14   2RUM              
*TITLE     SOLUTION STRUCTURE OF FUSION PEPTIDE                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FUSION PEPTIDE OF SPIKE GLYCOPROTEIN;                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS;                               
*SOURCE   4 ORGANISM_COMMON: SARS-COV;                                           
*SOURCE   5 ORGANISM_TAXID: 227859;                                              
*SOURCE   6 OTHER_DETAILS: SYNTHETIC PEPTIDE                                     
*KEYWDS    SARS-COV, FUSION PEPTIDE, VIRAL PROTEIN                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.MAHAJAN, S.BHATTACHARJYA                                            
*REVDAT   1   26-NOV-14 2RUM    0                                                


#Intraresidue
 2 TRP HA  2 TRP H     3.0      2.0
 2 TRP HA  2 TRP HE3   5.0      2.0
 2 TRP HA  2 TRP HD1   5.0      2.0
 2 TRP QB2  2 TRP H     5.0      2.0
 2 TRP QB2  2 TRP HE3   5.0      2.0
 2 TRP QB2  2 TRP HD1   5.0      2.0
 2 TRP HD1  2 TRP HE1   5.0      2.0
 3 LYS HA  3 LYS H     3.0      2.0
 3 LYS  HB2  3 LYS H     5.0      2.0
 3 LYS HB3  3 LYS H     5.0      2.0
 3 LYS QG  3 LYS H     5.0      2.0
 4 THR  HA  4 THR  H     3.0      2.0
 4 THR  HB  4 THR  HA    5.0      2.0
 4 THR  HG21  4 THR  H     5.0      2.0
 6 THR  HA  6 THR  H     3.0      2.0
 6 THR  HG21  6 THR  H     5.0      2.0
 7 LEU  HA  7 LEU  H     3.5      2.0
 7 LEU  QB  7 LEU  H     5.0      2.0
 7 LEU  QD21  7 LEU  H     5.0      2.0
 7 LEU  QD12  7 LEU  H     5.0      2.0
 7 LEU  HG  7 LEU  H     5.0      2.0
 8 LYS HA  8 LYS H     3.0      2.0
 8 LYS QB  8 LYS H     5.0      2.0
 8 LYS QG  8 LYS H     5.0      2.0
 9 TYR HA  9 TYR H     3.0      2.0
 9 TYR HA  9 TYR QD    5.0      2.0
 9 TYR QB  9 TYR QE    5.0      2.0
 9 TYR QD  9 TYR H     5.0      2.0
 9 TYR QB  9 TYR H     5.0      2.0
 9 TYR HA  9 TYR QE    5.0      2.0
 9 TYR QB  9 TYR QD    5.0      2.0
10 PHE HA 10 PHE H     3.0      2.0
10 PHE HA 10 PHE QD    5.0      2.0
10 PHE HA 10 PHE QE    5.0      2.0
10 PHE HB2 10 PHE QE    5.0      2.0
10 PHE HB2 10 PHE QD    5.0      2.0
10 PHE HB3 10 PHE QD    5.0      2.0
10 PHE HB3 10 PHE H     5.0      2.0
10 PHE HB2 10 PHE H     5.0      2.0
10 PHE HB3 10 PHE QE    5.0      2.0
10 PHE QD 10 PHE H     5.0      2.0
11 GLY HA 11 GLY H     3.0      2.0
12 GLY HA2 12 GLY H     3.0      2.0
12 GLY HA3 12 GLY H     3.0      2.0
13 PHE  HA 13 PHE H     3.0      2.0
13 PHE HA 13 PHE QD    5.0      2.0
13 PHE HA 13 PHE QE    5.0      2.0
13 PHE HB2 13 PHE H     5.0      2.0
13 PHE HB3 13 PHE H     5.0      2.0
13 PHE HB2 13 PHE QD    5.0      2.0
13 PHE HB2 13 PHE QE    5.0      2.0
13 PHE HB3 13 PHE QE    5.0      2.0
13 PHE HB3 13 PHE QD    5.0      2.0
13 PHE QD 13 PHE H     5.0      2.0
14 ASN HA 14 ASN H     3.0      2.0
14 ASN HA 14 ASN HD21  5.0      2.0
14 ASN HA 14 ASN HD22  5.0      2.0
14 ASN HB2 14 ASN H     5.0      2.0
14 ASN HB3 14 ASN H     5.0      2.0
14 ASN HB2 14 ASN HD22  5.0      2.0
14 ASN HB3 14 ASN HD22  5.0      2.0
14 ASN HB3 14 ASN HD21  5.0      2.0
14 ASN HB2 14 ASN HD21  5.0      2.0
14 ASN  HD21 14 ASN HD22  5.0      2.0
15 PHE QB 15 PHE H     5.0      2.0
15 PHE QD 15 PHE H     5.0      2.0
15 PHE HA 15 PHE H     3.0      2.0
15 PHE  QB 15 PHE QE    5.0      2.0
15 PHE QB 15 PHE QD    5.0      2.0
15 PHE HA 15 PHE QD    5.0      2.0
15 PHE  HA 15 PHE QE    5.0      2.0     
16 SER QB 16 SER H     5.0      2.0
16 SER HA 16 SER H     3.0      2.0
17 GLN HB2 17 GLN H     5.0      2.0
17 GLN HB3 17 GLN H     5.0      2.0
17 GLN HB2 17 GLN HE21  5.0      2.0
17 GLN HB2     17 GLN HE22  5.0      2.0
17 GLN HA 17 GLN H     3.0      2.0
17 GLN HE22 17 GLN HE21  5.0      2.0
18 ILE HG13 18 ILE H     5.0      2.0
18 ILE HG12 18 ILE H     5.0      2.0
18 ILE QG2 18 ILE H     5.0      2.0
18 ILE HA 18 ILE H     3.0      2.0
18 ILE HB 18 ILE H     5.0      2.0
18 ILE QD1 18 ILE H     5.0      2.0
19 LEU  HG 19 LEU  HA    5.0      2.0
19 LEU  QD11 19 LEU  HA    5.0      2.0
19 LEU HA 19 LEU  H     3.0      2.0
19 LEU  QB 19 LEU  H     5.0      2.0
#
#Sequential
 2 TRP  QB2  3 LYS H     5.0      2.0
 2 TRP HA  3 LYS H     3.5      2.0
 3 LYS HB2  4 THR  H     5.0      2.0
 3 LYS HA  4 THR  H     3.5      2.0
 3 LYS HB3  4 THR  H     5.0      2.0
 4 THR  H  3 LYS H     3.0      2.0
 6 THR  H  7 LEU  H     3.0      2.0
 8 LYS H  9 TYR H     4.0      2.0
 8 LYS  H  7 LEU  H     3.0      2.0
 8 LYS HA  9 TYR H     4.0      2.0
 8 LYS QB  9 TYR H     5.0      2.0
 8 LYS QB  9 TYR QD    5.0      2.0
 8 LYS QG  9 TYR H     5.0      2.0
 8 LYS QG  9 TYR QD    5.0      2.0
 8 LYS QG  9 TYR QE    5.0      2.0
 9 TYR HA 10 PHE H     5.0      2.0
 9 TYR QB 10 PHE QE    5.0      2.0
 9 TYR QD 10 PHE H     5.0      2.0
 9 TYR QB 10 PHE H     5.0      2.0
10 PHE HB2 11 GLY H     5.0      2.0
10 PHE HB3 11 GLY H     5.0      2.0
10 PHE QD  9 TYR H     5.0      2.0
10 PHE HA  9 TYR QD    5.0      2.0
12 GLY H 13 PHE H     3.0      2.0
12 GLY HA3 13 PHE H     3.0      2.0
12 GLY HA2 13 PHE H     4.0      2.0
13 PHE HA 14 ASN H     4.0      2.0
13 PHE H 14 ASN H     3.0      2.0
13 PHE QD 14 ASN H     5.0      2.0
14 ASN  HA 15 PHE H     4.0      2.0
14 ASN HB2 15 PHE H     5.0      2.0
14 ASN HB3 15 PHE H     5.0      2.0
15 PHE H 14 ASN H     3.0      2.0
15 PHE QB 16 SER H     5.0      2.0
15 PHE HA 16 SER H     4.0      2.0
17 GLN HB2 18 ILE H     5.0      2.0
17 GLN HA 18 ILE H     4.0      2.0
17 GLN HB3 18 ILE H     5.0      2.0
17 GLN H 18 ILE H     3.0      2.0
17 GLN  HE21    18 ILE H     5.0      3.0
18 ILE HB 19 LEU  HA    5.0      2.0
19 LEU HA 18 ILE  H     5.0      2.0
16 SER H 17 GLN H     3.0      2.0
16 SER QB 17 GLN H     5.0      2.0

#
#Medium 2