<PRE>
*HEADER    ION TRANSPORT                           28-JAN-00   1EDV              
*TITLE     SOLUTION STRUCTURE OF 2ND INTRADISKAL LOOP OF BOVINE                  
*TITLE    2 RHODOPSIN (RESIDUES 172-205)                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RHODOPSIN;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SECOND INTRADISKAL LOOP (RESIDUES 172-205);                
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: BOVINE RHODOPSIN SEQUENCE                             
*KEYWDS    HELIX-TURN-HELIX                                                      
*EXPDTA    NMR                                                                   
*AUTHOR    P.L.YEAGLE, A.SALLOUM, A.CHOPRA, N.BHAWSAR, L.ALI                     
*REVDAT   1   09-AUG-00 1EDV    0                                                
VAL2.H VAL2.HA 1.80 5.00
SER15.H SER15.HA 1.80 2.70
GLU26.H GLU25.HA 1.80 2.70
HIS24.H GLU25.HA 1.80 2.70
HIS24.H TYR20.HA 1.80 2.70
GLU26.H GLU26.HA 1.80 2.70
SER15.H MET12.HA 1.80 2.70
HIS24.H HIS24.HA 1.80 2.70
GLY17.H ILE18.HA 1.80 3.70
SER5.H VAL2.HA 1.80 2.70
GLU25.H HIS24.HA 1.80 2.70
THR22.H ASP19.HA 1.80 2.70
ASN29.H ASN28.HA 1.80 2.70
CYS14.H GLU10.HA 1.80 2.70
ASN28.H ASN28.HA 1.80 2.70
GLU10.H TYR7.HA 1.80 2.70
TRP4.H TRP4.HA 1.80 2.70
GLU30.H ASN29.HA 1.80 2.70
GLU30.H ASN28.HA 1.80 5.00
PHE32.H PHE32.HA 1.80 2.70
ILE8.H TRP4.HA 1.80 2.70
MET12.H MET12.HA 1.80 2.70
SER31.H ASN29.HA 1.80 2.70
THR27.H GLU26.HA 1.80 2.70
THR27.H THR27.HA 1.80 2.70
SER31.H GLU30.HA 1.80 2.70
SER31.H THR27.HA 1.80 2.70
TYR21.H TYR20.HA 1.80 2.70
PHE32.H SER31.HA 1.80 2.70
GLY3.H VAL2.HA 1.80 2.70
GLU30.H GLU30.HA 1.80 2.70
ASN28.H GLU26.HA 1.80 2.70
THR22.H THR22.HA 1.80 2.70
ARG6.H SER5.HA 1.80 2.70
ASN29.H GLU26.HA 1.80 2.70
GLU10.H ILE8.HA 1.80 2.70
ASN28.H GLU25.HA 1.80 2.70
ARG6.H VAL2.HA 1.80 2.70
GLU25.H GLU25.HA 1.80 2.70
ARG6.H ARG6.HA 1.80 2.70
CYS14.H CYS14.HA 1.80 2.70
ASN29.H ASN29.HA 1.80 2.70
CYS16.H CYS16.HA 1.80 3.70
SER5.H SER5.HA 1.80 2.70
ASN29.H GLU25.HA 1.80 3.70
HIS24.HD1 HIS24.HA 1.80 3.70
MET12.H GLY11.QA 1.80 4.30
GLY11.H GLY11.QA 1.80 3.30
GLY17.H GLY17.QA 1.80 4.30
ILE18.H GLY17.QA 1.80 3.30
SER31.H SER31.QB 1.80 3.30
PHE32.H SER31.QB 1.80 4.30
ARG6.H SER5.QB 1.80 4.30
SER5.H SER5.QB 1.80 3.30
THR22.H PRO23.HD2 1.80 2.70
GLY3.H GLY3.QA 1.80 4.30
THR22.H THR22.HB 1.80 3.70
TRP4.H GLY3.QA 1.80 3.30
CYS16.H GLY17.QA 1.80 3.30
GLU25.H THR22.HB 1.80 5.00
GLU10.H PRO9.HD2 1.80 2.70
HIS24.H HIS24.HB2 1.80 3.70
HIS24.HD1 HIS24.HB2 1.80 5.00
HIS24.H HIS24.HB1 1.80 3.70
HIS24.HD1 HIS24.HB1 1.80 3.70
GLU25.H HIS24.HB2 1.80 3.70
GLU25.H HIS24.HB1 1.80 3.70
TRP4.H TRP4.HB2 1.80 3.70
SER5.H TRP4.HB2 1.80 3.70
PHE32.H PHE32.HB2 1.80 3.70
TYR7.H ARG6.HE 1.80 3.70
TRP4.H TRP4.HB1 1.80 2.70
SER5.H TRP4.HB1 1.80 3.70
ASP19.H ASP19.HB2 1.80 3.70
ASP19.H ASP19.HB1 1.80 3.70
ASN29.H ASN28.HB2 1.80 3.70
ASN28.H ASN28.HB2 1.80 3.70
ASN29.H ASN29.HB1 1.80 3.70
ASN28.H ASN28.HB1 1.80 3.70
ASN29.H ASN28.HB1 1.80 3.70
GLU30.H ASN29.HB1 1.80 5.00
TYR20.H ASP19.HB1 1.80 5.00
ASN29.H ASN29.HB1 1.80 2.70
ASN29.H ASN29.HB2 1.80 3.70
GLU30.H ASN29.HB2 1.80 3.70
CYS14.H CYS14.HB1 1.80 3.70
CYS14.H CYS14.HB2 1.80 2.70
CYS16.H CYS16.HB1 1.80 3.70
CYS16.H CYS16.HB2 1.80 3.70
THR22.H TYR21.HB2 1.80 3.70
THR22.H TYR21.HB1 1.80 3.70
PHE32.H PHE32.HB1 1.80 2.70
TYR20.H TYR20.HB1 1.80 3.70
TYR20.H TYR20.HB2 1.80 3.70
TYR7.H TYR7.HB2 1.80 2.70
TYR7.H TYR7.HB1 1.80 2.70
TYR21.H TYR21.HB1 1.80 3.70
TYR21.H TYR20.HB1 1.80 3.70
TYR21.H TYR21.HB2 1.80 2.70
TYR21.H TYR20.HB2 1.80 3.70
THR27.H GLU26.QG 1.80 5.60
GLU30.H GLU30.QG 1.80 4.30
GLU26.H GLU25.QG 1.80 4.30
GLU25.H GLU25.QG 1.80 4.30
GLY11.H GLU25.QG 1.80 5.60
CYS14.H GLN13.QG 1.80 5.60
GLN13.H GLN13.QG 1.80 4.30
HIS24.H GLU25.QG 1.80 5.60
HIS24.H PRO23.HB2 1.80 3.70
HIS24.H PRO23.HB2 1.80 5.00
GLU10.H PRO9.HB2 1.80 5.00
GLU10.H PRO9.HB2 1.80 3.70
VAL2.H VAL2.HB 1.80 3.70
THR27.H GLU26.HB2 1.80 3.70
SER31.H GLU30.HB2 1.80 3.70
SER31.H GLU30.HB2 1.80 3.70
SER5.H VAL2.HB 1.80 3.70
HIS24.H GLU25.HB2 1.80 3.70
GLU26.H GLU26.HB2 1.80 2.70
GLU30.H GLU30.HB2 1.80 3.70
ARG6.H PRO9.HB1 1.80 3.70
GLU25.H GLU25.HB2 1.80 2.70
GLU10.H GLU10.HB2 1.80 2.70
GLN13.H GLN13.HB2 1.80 3.70
SER31.H GLU30.HB1 1.80 5.00
THR27.H GLU26.HB1 1.80 3.70
ILE8.H ILE8.HB 1.80 3.70
ILE18.H ILE8.HB 1.80 3.70
ARG6.H ARG6.HB2 1.80 3.70
GLU30.H GLU30.HB1 1.80 2.70
THR22.H ILE18.HB 1.80 2.70
GLU25.H GLU25.HB1 1.80 2.70
GLU10.H GLU10.HB1 1.80 2.70
CYS14.H GLN13.HB1 1.80 2.70
GLU26.H GLU26.HB1 1.80 2.70
HIS24.HD1 PRO23.QG 1.80 4.30
HIS24.H PRO23.QG 1.80 4.30
VAL2.H LEU1.QB 1.80 5.60
ILE34.H ILE34.QG2 1.80 4.70
ILE18.H ILE8.HG23 1.80 5.00
TYR7.H ARG6.HB1 1.80 3.70
ARG6.H ARG6.HB1 1.80 2.70
ILE8.H ILE8.HG23 1.80 5.00
ILE34.H ILE34.QG1 1.80 4.30
ASN28.H THR27.QG2 1.80 6.00
THR22.H THR22.QG2 1.80 6.00
THR27.H THR27.QG2 1.80 4.70
ILE34.H VAL33.QG2 1.80 6.00
ILE34.H ILE34.QD1 1.80 6.00
ASP19.H ILE18.QD1 1.80 6.00
ILE8.H ILE8.QG1 1.80 5.60
ILE18.H ILE18.QD1 1.80 6.00
MET12.H ILE18.QD1 1.80 6.00
ILE8.H ILE8.QD1 1.80 6.00
ILE8.H ILE8.HG22 1.80 5.00
GLU25.H THR22.QG2 1.80 6.00
ASN28.H HIS24.HB1 1.80 5.00
ARG6.H ARG6.HE 1.80 5.00
ASN28.H HIS24.HB2 1.80 5.00
CYS14.H GLY11.QA 1.80 4.30
TYR7.H GLY3.QA 1.80 4.30
GLU25.H THR22.HB 1.80 3.70
VAL2.H ARG6.HA 1.80 5.00
CYS16.H CYS16.HA 1.80 2.70
GLN13.H CYS16.HA 1.80 2.70
ILE18.H SER15.HA 1.80 3.70
SER31.H GLU26.HA 1.80 3.70
GLY11.H PRO9.HA 1.80 3.70
PHE32.H ILE34.HA 1.80 5.00
PHE32.H ASN29.HA 1.80 3.70
MET12.H ILE8.HA 1.80 5.00
ASN29.HD21 GLU26.HA 1.80 3.70
HIS24.HD2 PRO23.HA 1.80 3.70
ASN28.HD21 ASN28.HA 1.80 3.70
TYR21.HD2 TYR21.HA 1.80 3.70
ASN28.HD22 ASN28.HA 1.80 3.70
ASN29.HD22 ASN29.HA 1.80 3.70
ASN29.HD22 GLU26.HA 1.80 3.70
TYR20.HD1 TYR20.HA 1.80 3.70
TRP4.HZ2 TRP4.HB2 1.80 3.70
HIS24.HD2 HIS24.HB2 1.80 3.70
TRP4.HZ2 TRP4.HB1 1.80 3.70
HIS24.HD2 HIS24.HB1 1.80 3.70
ARG6.QH2 ARG6.HE 1.80 3.30
ASN28.HD22 HIS24.HB1 1.80 3.70
TYR7.HE1 TYR7.HB1 1.80 2.70
TYR20.HD1 TYR20.HB1 1.80 3.70
TYR7.HE1 TYR7.HB2 1.80 2.70
ASN28.HD22 ASN28.HB2 1.80 3.70
ASN28.HD22 ASN28.HB1 1.80 3.70
ASN29.HD22 ASN29.HB1 1.80 5.00
ASN29.HD21 ASN29.HB1 1.80 5.00
ASN28.HD21 ASN28.HB1 1.80 3.70
ASN28.HD21 ASN28.HB2 1.80 3.70
ASN29.HD21 ASN29.HB2 1.80 5.00
ARG6.QH2 ARG6.HB1 1.80 4.30
ARG6.QH2 ARG6.HB2 1.80 5.60
ARG6.QH1 ARG6.HB1 1.80 5.60
ARG6.QH1 ARG6.HB2 1.80 5.60
TYR20.HD2 PRO9.HG1 1.80 5.00
TYR20.HD2 PRO9.HB2 1.80 5.00
TYR20.HD2 PRO9.HD2 1.80 5.00
TYR20.HD1 TYR20.HD2 1.80 2.70
ASN29.HD21 ASN29.HD22 1.80 2.70
ASN28.HD21 ASN28.HD22 1.80 2.70
TYR20.H TYR20.HD1 1.80 5.00
TYR7.H TYR7.HE1 1.80 3.70
ILE8.H TYR7.HE1 1.80 5.00
VAL33.H PHE32.HE2 1.80 3.70
PHE32.H PHE32.HE2 1.80 5.00
SER5.H TRP4.HZ2 1.80 5.00
TRP4.H TRP4.HZ2 1.80 3.70
PHE32.H PHE32.HE1 1.80 5.00
GLU25.H HIS24.HD2 1.80 5.00
ASN28.H ASN28.HD21 1.80 5.00
ASN29.H ASN29.HD21 1.80 5.00
HIS24.H HIS24.HD2 1.80 3.70
SER5.H TRP4.HZ3 1.80 5.00
TRP4.H TRP4.HZ3 1.80 5.00
TYR21.H TYR20.H 1.80 2.70
PHE32.H SER31.H 1.80 2.70
PHE32.H VAL33.H 1.80 3.70
GLU30.H SER31.H 1.80 2.70
ARG6.H TYR7.H 1.80 2.70
GLY11.H MET12.H 1.80 3.70
ASP19.H TYR20.H 1.80 2.70
HIS24.H THR27.H 1.80 5.00
ASN29.H THR27.H 1.80 5.00
SER5.H TYR7.H 1.80 3.70
GLY17.H ILE18.H 1.80 5.00
ASP19.H ILE18.H 1.80 3.70
HIS24.H GLU25.H 1.80 3.70
GLU26.H GLU25.H 1.80 3.70
SER5.H TRP4.H 1.80 2.70
ASN29.H GLU30.H 1.80 2.70
ASN29.H ASN28.H 1.80 2.70
SER15.H CYS14.H 1.80 2.70
VAL33.H SER31.H 1.80 3.70
ILE18.H GLY17.H 1.80 5.00
ILE18.H ASP19.H 1.80 5.00
GLU25.H HIS24.H 1.80 3.70
HIS24.HA PRO23.HA 1.80 3.70
HIS24.HA GLU25.HA 1.80 3.70
ASN28.HA SER31.HA 1.80 5.00
TYR7.HA ILE8.HA 1.80 5.00
TYR21.HA TYR20.HA 1.80 3.70
GLU26.HA GLU30.HA 1.80 2.70
CYS16.HA SER15.HA 1.80 3.70
THR27.HB THR27.HA 1.80 2.70
GLU26.HA THR27.HB 1.80 5.00
TYR21.HA THR22.HB 1.80 5.00
THR22.HA THR22.HB 1.80 3.70
PRO23.HA THR22.HB 1.80 3.70
VAL2.HA GLY3.QA 1.80 4.30
SER15.HA SER15.QB 1.80 5.60
PRO9.HA PRO9.HD2 1.80 2.70
PRO23.HA PRO23.HD2 1.80 2.70
PRO9.HA PRO9.HD2 1.80 2.70
SER31.HA SER31.QB 1.80 3.30
PRO9.HA PRO9.HD1 1.80 2.70
SER5.HA SER5.QB 1.80 3.30
PRO23.HA PRO23.HD1 1.80 2.70
ARG6.HA ARG6.HE 1.80 3.70
PRO23.HA HIS24.HB2 1.80 5.00
PRO23.HA HIS24.HB1 1.80 5.00
HIS24.HA HIS24.HB2 1.80 2.70
PHE32.HA PHE32.HB2 1.80 2.70
HIS24.HA HIS24.HB1 1.80 2.70
THR22.HA TYR21.HB1 1.80 3.70
TYR20.HA TYR21.HB1 1.80 5.00
TYR20.HA TYR20.HB1 1.80 3.70
CYS16.HA CYS16.HB2 1.80 2.70
CYS14.HA CYS14.HB2 1.80 2.70
PHE32.HA PHE32.HB1 1.80 2.70
THR27.HA ASN28.HB1 1.80 5.00
THR27.HA ASN28.HB2 1.80 5.00
TYR20.HA TYR20.HB2 1.80 3.70
TYR20.HA TYR20.HB2 1.80 3.70
ASN29.HA ASN29.HB2 1.80 3.70
ASN29.HA ASN29.HB1 1.80 2.70
ASN28.HA ASN28.HB1 1.80 2.70
ASN28.HA ASN28.HB2 1.80 2.70
TYR7.HA TYR7.HB2 1.80 2.70
CYS14.HA CYS14.HB1 1.80 2.70
GLU26.HA ASN29.HB1 1.80 5.00
HIS24.HA GLU25.QG 1.80 5.60
GLU26.HA GLU26.QG 1.80 3.30
GLU25.HA GLU25.QG 1.80 3.30
GLU30.HA GLU30.QG 1.80 4.30
GLN13.HA GLN13.QG 1.80 4.30
PRO23.HA PRO23.HB2 1.80 2.70
SER5.HA PRO9.HB2 1.80 3.70
PRO23.HA PRO23.HB2 1.80 2.70
GLU30.HA GLU30.HB2 1.80 2.70
GLU25.HA GLU25.HB2 1.80 2.70
GLU26.HA GLU26.HB2 1.80 2.70
PRO23.HA PRO23.HB1 1.80 2.70
GLU10.HA GLU10.HB2 1.80 5.00
CYS16.HA GLN13.QG 1.80 5.60
ILE8.HA ILE8.HB 1.80 3.70
GLN13.HA GLN13.HB1 1.80 2.70
GLU25.HA GLU25.HB1 1.80 2.70
ILE18.HA ILE18.HB 1.80 2.70
PRO23.HA PRO23.QG 1.80 3.30
GLU10.HA GLU10.HB1 1.80 5.00
ARG6.HA ARG6.HB2 1.80 2.70
ARG6.HA ARG6.HB1 1.80 2.70
ASN29.HA ILE34.QG1 1.80 5.60
THR22.HA THR22.QG2 1.80 4.70
ILE34.HA ILE34.QG1 1.80 3.30
THR27.HA THR27.QG2 1.80 4.70
PRO23.HA THR27.QG2 1.80 6.00
THR27.HB THR27.QG2 1.80 3.70
ILE8.HA ILE8.QD1 1.80 4.70
PRO9.HA ILE8.QG1 1.80 3.30
ILE34.HA ILE34.QD1 1.80 6.00
TRP4.HA ILE8.QD1 1.80 6.00
PRO9.HD2 ILE8.QG1 1.80 5.60
PRO9.HD1 ILE8.QG1 1.80 4.30
SER31.QB ILE34.QD1 1.80 6.60
THR22.HB THR22.QG2 1.80 4.70
PRO23.HD2 THR22.QG2 1.80 6.00
PRO23.HD1 THR22.QG2 1.80 4.70
THR22.HB ILE18.HG23 1.80 5.00
PRO23.HD2 PRO23.QG 1.80 3.30
PRO9.HD2 PRO9.HG1 1.80 2.70
PRO23.HD1 PRO23.QG 1.80 3.30
PRO9.HD1 PRO9.HG1 1.80 2.70
PRO9.HD1 PRO9.HB1 1.80 2.70
PRO23.HD1 PRO23.HB1 1.80 3.70
PRO23.HD2 PRO23.HB1 1.80 2.70
PRO9.HD2 PRO9.HB1 1.80 2.70
PRO9.HD2 PRO9.HB2 1.80 3.70
PRO23.HD2 PRO23.HB2 1.80 5.00
PRO23.HD2 PRO23.HB2 1.80 5.00
PRO23.HD1 PRO23.HB2 1.80 5.00
SER5.QB PRO9.HB2 1.80 5.60
PRO9.HD1 PRO9.HB2 1.80 5.00
PRO9.HD2 PRO9.HD1 1.80 2.70
PRO23.HD2 PRO23.HD1 1.80 2.70
THR22.HB PRO23.HD1 1.80 3.70
PHE32.HB2 PHE32.HB1 1.80 2.70
TRP4.HB2 TRP4.HB1 1.80 2.70
HIS24.HB2 HIS24.HB1 1.80 2.70
TYR7.HB1 TYR7.HB2 1.80 2.70
TYR20.HB1 TYR20.HB2 1.80 2.70
TYR21.HB1 TYR21.HB2 1.80 2.70
ASP19.HB2 ASP19.HB1 1.80 2.70
ARG6.HE ARG6.HB2 1.80 3.70
ARG6.HE ARG6.HB1 1.80 2.70
VAL2.HB VAL2.QG2 1.80 4.70
ILE34.HB ILE34.QD1 1.80 3.70
ILE18.HB ILE18.HG22 1.80 2.70
GLU30.HB1 VAL33.QG2 1.80 4.70
ILE8.HB ILE8.QD1 1.80 4.70
ILE18.HG23 ILE8.QG1 1.80 3.30
ILE34.QG2 ILE34.QD1 1.80 5.70
ILE8.HG23 ILE8.QD1 1.80 4.70
ILE8.HG22 ILE8.QG1 1.80 3.30
ILE34.QG1 ILE34.QD1 1.80 4.30
ILE8.HG22 ILE8.QD1 1.80 3.70
ILE8.HG23 ILE8.HG22 1.80 2.70
ILE34.QG2 ILE34.QG1 1.80 4.30
ILE8.HB ILE8.HG22 1.80 3.70
ILE8.HB ILE8.HG23 1.80 2.70
ARG6.HB2 ARG6.HB1 1.80 2.70
ILE34.HB ILE34.QG2 1.80 3.70
PRO9.HB1 PRO9.HG1 1.80 2.70
PRO9.HB2 PRO9.HG1 1.80 2.70
PRO23.HB2 PRO23.HB1 1.80 2.70
GLN13.QG GLN13.HB1 1.80 3.30
GLU25.QG GLU25.HB1 1.80 3.30
GLU25.QG GLU25.HB2 1.80 3.30
GLN13.QG GLN13.HB2 1.80 3.30

  Entry H atom name         Submitted Coord H atom name
    1   1H    LEU   1          1H        LEU   1   8.179  10.931   7.812
    2   2H    LEU   1          2H        LEU   1   8.050   9.389   7.242
    3   3H    LEU   1          3H        LEU   1   6.697  10.258   7.562
    4    HA   LEU   1           HA       LEU   1   7.097  11.796   5.920
    5   1HB   LEU   1          HB1       LEU   1   8.847  11.764   4.362
    6   2HB   LEU   1          HB2       LEU   1   9.472  11.899   5.997
    7    HG   LEU   1           HG       LEU   1   9.690   9.500   4.133
    8   1HD1  LEU   1          HD11      LEU   1  11.758  11.371   5.323
    9   2HD1  LEU   1          HD12      LEU   1  12.063  10.014   4.219
   10   3HD1  LEU   1          HD13      LEU   1  11.142  11.417   3.657
   11   1HD2  LEU   1          HD21      LEU   1   9.527   8.507   6.364
   12   2HD2  LEU   1          HD22      LEU   1  11.224   8.571   5.923
   13   3HD2  LEU   1          HD23      LEU   1  10.579   9.778   7.046
   14    H    VAL   2           H        VAL   2   8.131   8.495   4.786
   15    HA   VAL   2           HA       VAL   2   5.939   8.451   2.898
   16    HB   VAL   2           HB       VAL   2   6.762   6.110   2.494
   17   1HG1  VAL   2          HG11      VAL   2   8.793   8.360   2.256
   18   2HG1  VAL   2          HG12      VAL   2   8.797   6.839   1.341
   19   3HG1  VAL   2          HG13      VAL   2   7.474   7.997   1.125
   20   1HG2  VAL   2          HG21      VAL   2   7.842   5.744   4.775
   21   2HG2  VAL   2          HG22      VAL   2   8.850   5.351   3.378
   22   3HG2  VAL   2          HG23      VAL   2   9.134   6.851   4.266
   23    H    GLY   3           H        GLY   3   4.434   8.951   4.835
   24   1HA   GLY   3          HA1       GLY   3   3.679   6.942   6.680
   25   2HA   GLY   3          HA2       GLY   3   2.619   8.236   6.084
   26    H    TRP   4           H        TRP   4   2.385   7.704   3.447
   27    HA   TRP   4           HA       TRP   4   0.443   5.668   3.290
   28   1HB   TRP   4          HB1       TRP   4   0.538   6.033   0.862
   29   2HB   TRP   4          HB2       TRP   4   0.377   7.512   1.797
   30    HD1  TRP   4           HD1      TRP   4   2.436   5.924  -0.840
   31    HE1  TRP   4           HE1      TRP   4   4.460   7.313  -1.467
   32    HE3  TRP   4           HE3      TRP   4   2.056   9.560   2.760
   33    HZ2  TRP   4           HZ2      TRP   4   5.798   9.712  -0.519
   34    HZ3  TRP   4           HZ3      TRP   4   3.725  11.375   2.867
   35    HH2  TRP   4           HH2      TRP   4   5.612  11.453   1.255
   36    H    SER   5           H        SER   5   3.697   5.561   1.639
   37    HA   SER   5           HA       SER   5   3.510   2.698   1.367
   38   1HB   SER   5          HB1       SER   5   5.949   4.458   0.979
   39   2HB   SER   5          HB2       SER   5   5.631   2.877   0.257
   40    HG   SER   5           HG       SER   5   3.967   3.825  -0.963
   41    H    ARG   6           H        ARG   6   3.219   3.057   4.076
   42    HA   ARG   6           HA       ARG   6   5.232   1.265   4.974
   43   1HB   ARG   6          HB1       ARG   6   6.471   3.479   5.228
   44   2HB   ARG   6          HB2       ARG   6   5.326   3.919   6.486
   45   1HG   ARG   6          HG1       ARG   6   6.731   1.227   6.711
   46   2HG   ARG   6          HG2       ARG   6   7.710   2.676   6.847
   47   1HD   ARG   6          HD1       ARG   6   7.236   2.150   9.034
   48   2HD   ARG   6          HD2       ARG   6   6.170   3.517   8.651
   49    HE   ARG   6           HE       ARG   6   4.826   0.965   8.247
   50   1HH1  ARG   6          HH11      ARG   6   5.886   3.197  10.767
   51   2HH1  ARG   6          HH12      ARG   6   4.665   2.726  11.912
   52   1HH2  ARG   6          HH21      ARG   6   3.447   0.085   9.916
   53   2HH2  ARG   6          HH22      ARG   6   3.116   1.017  11.324
   54    H    TYR   7           H        TYR   7   2.695   3.620   6.014
   55    HA   TYR   7           HA       TYR   7   2.003   1.986   8.335
   56   1HB   TYR   7          HB2       TYR   7   0.417   4.234   7.023
   57   2HB   TYR   7          HB1       TYR   7   0.147   3.523   8.605
   58    HD1  TYR   7           HD1      TYR   7   0.120   6.300   8.444
   59    HD2  TYR   7           HD2      TYR   7   3.606   3.777   8.657
   60    HE1  TYR   7           HE1      TYR   7   1.439   8.191   9.327
   61    HE2  TYR   7           HE2      TYR   7   4.925   5.675   9.529
   62    HH   TYR   7           HH       TYR   7   3.491   8.883  10.122
   63    H    ILE   8           H        ILE   8  -0.041   2.980   5.566
   64    HA   ILE   8           HA       ILE   8  -1.870   1.044   6.317
   65    HB   ILE   8           HB       ILE   8  -3.244   1.694   4.464
   66   1HG1  ILE   8          HG11      ILE   8  -0.814   3.240   3.461
   67   2HG1  ILE   8          HG12      ILE   8  -1.609   1.843   2.693
   68   1HG2  ILE   8          HG21      ILE   8  -1.872   4.149   5.631
   69   2HG2  ILE   8          HG22      ILE   8  -3.566   3.975   5.133
   70   3HG2  ILE   8          HG23      ILE   8  -2.976   3.102   6.547
   71   1HD1  ILE   8          HD11      ILE   8  -2.784   4.618   3.062
   72   2HD1  ILE   8          HD12      ILE   8  -2.360   3.810   1.546
   73   3HD1  ILE   8          HD13      ILE   8  -3.697   3.184   2.534
   74    HA   PRO   9           HA       PRO   9  -0.830  -1.795   2.688
   75   1HB   PRO   9          HB1       PRO   9   1.706  -2.115   1.796
   76   2HB   PRO   9          HB2       PRO   9   0.657  -0.788   1.219
   77   1HG   PRO   9          HG1       PRO   9   2.701  -0.616   3.453
   78   2HG   PRO   9          HG2       PRO   9   2.586   0.414   1.990
   79   1HD   PRO   9          HD1       PRO   9   1.488   1.194   4.278
   80   2HD   PRO   9          HD2       PRO   9   0.588   1.419   2.750
   81    H    GLU  10           H        GLU  10   0.770  -1.333   5.714
   82    HA   GLU  10           HA       GLU  10   2.084  -3.892   5.864
   83   1HB   GLU  10          HB1       GLU  10   2.680  -1.679   6.967
   84   2HB   GLU  10          HB2       GLU  10   1.382  -2.002   8.116
   85   1HG   GLU  10          HG1       GLU  10   2.552  -4.040   8.864
   86   2HG   GLU  10          HG2       GLU  10   3.779  -3.827   7.595
   87    H    GLY  11           H        GLY  11   0.055  -4.894   5.040
   88   1HA   GLY  11          HA1       GLY  11  -1.679  -6.375   5.297
   89   2HA   GLY  11          HA2       GLY  11  -0.693  -6.890   6.671
   90    H    MET  12           H        MET  12  -2.920  -4.161   5.989
   91    HA   MET  12           HA       MET  12  -4.887  -3.503   6.828
   92   1HB   MET  12          HB1       MET  12  -5.745  -5.644   6.423
   93   2HB   MET  12          HB2       MET  12  -5.002  -6.360   7.850
   94   1HG   MET  12          HG1       MET  12  -7.021  -4.137   8.163
   95   2HG   MET  12          HG2       MET  12  -7.522  -5.803   7.870
   96   1HE   MET  12          HE1       MET  12  -8.980  -5.697  10.094
   97   2HE   MET  12          HE2       MET  12  -8.285  -5.339  11.693
   98   3HE   MET  12          HE3       MET  12  -8.377  -4.058  10.461
   99    H    GLN  13           H        GLN  13  -3.098  -5.112   9.416
  100    HA   GLN  13           HA       GLN  13  -4.195  -4.106  11.677
  101   1HB   GLN  13          HB1       GLN  13  -1.275  -4.555  10.965
  102   2HB   GLN  13          HB2       GLN  13  -1.829  -4.308  12.628
  103   1HG   GLN  13          HG1       GLN  13  -2.919  -6.348  12.747
  104   2HG   GLN  13          HG2       GLN  13  -3.238  -6.451  11.020
  105   1HE2  GLN  13          HE21      GLN  13  -1.459  -6.974   9.537
  106   2HE2  GLN  13          HE22      GLN  13  -0.113  -7.924  10.159
  107    H    CYS  14           H        CYS  14  -1.534  -2.424   9.914
  108    HA   CYS  14           HA       CYS  14  -1.855  -0.014  11.570
  109   1HB   CYS  14          HB1       CYS  14  -0.095  -0.783   9.241
  110   2HB   CYS  14          HB2       CYS  14  -0.015   0.823   9.997
  111    HG   CYS  14           HG       CYS  14   1.812  -1.243  10.656
  112    H    SER  15           H        SER  15  -4.300  -0.557  10.395
  113    HA   SER  15           HA       SER  15  -5.092   1.781   9.072
  114   1HB   SER  15          HB1       SER  15  -3.817   0.744   7.112
  115   2HB   SER  15          HB2       SER  15  -4.874  -0.654   7.222
  116    HG   SER  15           HG       SER  15  -5.520   2.047   6.582
  117    H    CYS  16           H        CYS  16  -7.058   0.299   7.529
  118    HA   CYS  16           HA       CYS  16  -8.233  -1.827   8.958
  119   1HB   CYS  16          HB1       CYS  16 -10.343  -0.986   9.664
  120   2HB   CYS  16          HB2       CYS  16  -9.114   0.036  10.425
  121    HG   CYS  16           HG       CYS  16 -11.172   1.478   9.773
  122    H    GLY  17           H        GLY  17  -8.682   0.810   6.600
  123   1HA   GLY  17          HA1       GLY  17 -10.237  -0.920   4.772
  124   2HA   GLY  17          HA2       GLY  17  -9.949   0.816   4.654
  125    H    ILE  18           H        ILE  18  -7.010   0.615   5.020
  126    HA   ILE  18           HA       ILE  18  -5.270   0.762   3.704
  127    HB   ILE  18           HB       ILE  18  -6.041  -1.777   2.256
  128   1HG1  ILE  18          HG11      ILE  18  -4.689  -1.629   4.980
  129   2HG1  ILE  18          HG12      ILE  18  -6.327  -2.239   4.666
  130   1HG2  ILE  18          HG21      ILE  18  -3.409  -0.462   3.083
  131   2HG2  ILE  18          HG22      ILE  18  -3.556  -1.953   2.147
  132   3HG2  ILE  18          HG23      ILE  18  -4.102  -0.427   1.471
  133   1HD1  ILE  18          HD11      ILE  18  -3.709  -3.468   3.760
  134   2HD1  ILE  18          HD12      ILE  18  -5.017  -4.196   4.697
  135   3HD1  ILE  18          HD13      ILE  18  -5.262  -3.872   2.987
  136    H    ASP  19           H        ASP  19  -5.806   2.648   2.607
  137    HA   ASP  19           HA       ASP  19  -7.177   2.838   0.143
  138   1HB   ASP  19          HB1       ASP  19  -6.677   4.774   1.530
  139   2HB   ASP  19          HB2       ASP  19  -4.935   4.550   1.290
  140    H    TYR  20           H        TYR  20  -3.920   1.689   0.850
  141    HA   TYR  20           HA       TYR  20  -3.071   1.603  -1.932
  142   1HB   TYR  20          HB2       TYR  20  -1.962   0.762   0.669
  143   2HB   TYR  20          HB1       TYR  20  -1.652  -0.396  -0.596
  144    HD1  TYR  20           HD1      TYR  20  -0.773   0.435  -2.880
  145    HD2  TYR  20           HD2      TYR  20  -0.402   2.600   0.828
  146    HE1  TYR  20           HE1      TYR  20   1.330   1.457  -3.686
  147    HE2  TYR  20           HE2      TYR  20   1.684   3.636   0.010
  148    HH   TYR  20           HH       TYR  20   3.121   2.799  -3.143
  149    H    TYR  21           H        TYR  21  -3.294  -1.453  -0.116
  150    HA   TYR  21           HA       TYR  21  -3.813  -2.992  -2.264
  151   1HB   TYR  21          HB2       TYR  21  -4.530  -3.410   0.633
  152   2HB   TYR  21          HB1       TYR  21  -5.029  -4.577  -0.575
  153    HD1  TYR  21           HD1      TYR  21  -2.092  -3.281   1.244
  154    HD2  TYR  21           HD2      TYR  21  -3.455  -5.898  -1.905
  155    HE1  TYR  21           HE1      TYR  21   0.180  -4.189   1.015
  156    HE2  TYR  21           HE2      TYR  21  -1.151  -6.769  -2.157
  157    HH   TYR  21           HH       TYR  21   1.444  -4.935  -1.086
  158    H    THR  22           H        THR  22  -6.567  -1.827  -0.206
  159    HA   THR  22           HA       THR  22  -8.305  -3.449  -1.649
  160    HB   THR  22           HB       THR  22  -9.032  -1.111   0.141
  161    HG1  THR  22           HG1      THR  22  -8.540  -2.383   1.675
  162   1HG2  THR  22          HG21      THR  22 -10.558  -3.623  -0.671
  163   2HG2  THR  22          HG22      THR  22 -11.069  -2.431   0.542
  164   3HG2  THR  22          HG23      THR  22 -10.976  -1.968  -1.169
  165    HA   PRO  23           HA       PRO  23  -9.444   0.188  -4.604
  166   1HB   PRO  23          HB1       PRO  23  -7.016   1.927  -4.094
  167   2HB   PRO  23          HB2       PRO  23  -8.625   2.403  -4.700
  168   1HG   PRO  23          HG1       PRO  23  -7.974   2.840  -2.124
  169   2HG   PRO  23          HG2       PRO  23  -9.564   2.116  -2.497
  170   1HD   PRO  23          HD1       PRO  23  -7.038   0.628  -1.659
  171   2HD   PRO  23          HD2       PRO  23  -8.696   0.550  -1.012
  172    H    HIS  24           H        HIS  24  -5.866  -0.097  -3.994
  173    HA   HIS  24           HA       HIS  24  -5.278  -1.707  -6.277
  174   1HB   HIS  24          HB1       HIS  24  -4.185   0.206  -7.602
  175   2HB   HIS  24          HB2       HIS  24  -5.925   0.015  -7.725
  176    HD1  HIS  24           HD1      HIS  24  -3.887   1.998  -5.088
  177    HD2  HIS  24           HD2      HIS  24  -6.967   2.379  -7.920
  178    HE1  HIS  24           HE1      HIS  24  -4.822   4.383  -4.842
  179    H    GLU  25           H        GLU  25  -3.862  -2.684  -4.747
  180    HA   GLU  25           HA       GLU  25  -1.261  -1.199  -4.825
  181   1HB   GLU  25          HB1       GLU  25  -1.768  -1.885  -2.495
  182   2HB   GLU  25          HB2       GLU  25  -1.730  -3.593  -3.016
  183   1HG   GLU  25          HG1       GLU  25   0.563  -3.357  -3.771
  184   2HG   GLU  25          HG2       GLU  25   0.471  -1.589  -3.552
  185    H    GLU  26           H        GLU  26  -2.851  -4.353  -5.287
  186    HA   GLU  26           HA       GLU  26  -0.731  -5.525  -6.775
  187   1HB   GLU  26          HB1       GLU  26  -3.663  -6.297  -6.519
  188   2HB   GLU  26          HB2       GLU  26  -2.363  -7.342  -7.101
  189   1HG   GLU  26          HG1       GLU  26  -1.242  -7.258  -4.924
  190   2HG   GLU  26          HG2       GLU  26  -2.448  -6.127  -4.292
  191    H    THR  27           H        THR  27  -1.213  -3.128  -7.941
  192    HA   THR  27           HA       THR  27  -1.171  -3.361 -10.642
  193    HB   THR  27           HB       THR  27  -3.497  -4.099 -10.699
  194    HG1  THR  27           HG1      THR  27  -4.297  -2.502 -12.066
  195   1HG2  THR  27          HG21      THR  27  -4.302  -1.474  -9.381
  196   2HG2  THR  27          HG22      THR  27  -5.368  -2.757  -9.967
  197   3HG2  THR  27          HG23      THR  27  -4.324  -3.056  -8.574
  198    H    ASN  28           H        ASN  28   0.267  -2.177  -8.726
  199    HA   ASN  28           HA       ASN  28   0.209   0.654  -9.212
  200   1HB   ASN  28          HB1       ASN  28  -1.582  -0.288  -7.184
  201   2HB   ASN  28          HB2       ASN  28  -0.216   0.403  -6.318
  202   1HD2  ASN  28          HD21      ASN  28  -2.267   1.146  -9.185
  203   2HD2  ASN  28          HD22      ASN  28  -2.489   2.849  -8.767
  204    H    ASN  29           H        ASN  29   1.145  -1.702  -6.629
  205    HA   ASN  29           HA       ASN  29   3.521  -0.093  -6.089
  206   1HB   ASN  29          HB1       ASN  29   2.297  -0.878  -4.269
  207   2HB   ASN  29          HB2       ASN  29   2.401  -2.580  -4.802
  208   1HD2  ASN  29          HD21      ASN  29   3.163  -2.831  -2.442
  209   2HD2  ASN  29          HD22      ASN  29   4.878  -2.561  -2.188
  210    H    GLU  30           H        GLU  30   3.676  -3.679  -6.149
  211    HA   GLU  30           HA       GLU  30   6.385  -3.326  -6.364
  212   1HB   GLU  30          HB1       GLU  30   6.559  -5.801  -6.421
  213   2HB   GLU  30          HB2       GLU  30   5.637  -5.065  -5.114
  214   1HG   GLU  30          HG1       GLU  30   4.409  -6.952  -5.651
  215   2HG   GLU  30          HG2       GLU  30   3.493  -5.676  -6.448
  216    H    SER  31           H        SER  31   4.552  -5.003  -9.032
  217    HA   SER  31           HA       SER  31   6.850  -4.278 -10.813
  218   1HB   SER  31          HB1       SER  31   6.553  -6.667  -9.859
  219   2HB   SER  31          HB2       SER  31   5.169  -6.789 -10.952
  220    HG   SER  31           HG       SER  31   7.093  -7.530 -11.927
  221    H    PHE  32           H        PHE  32   4.743  -2.526 -10.660
  222    HA   PHE  32           HA       PHE  32   3.911  -2.413 -13.451
  223   1HB   PHE  32          HB1       PHE  32   1.401  -2.380 -12.804
  224   2HB   PHE  32          HB2       PHE  32   2.297  -3.814 -13.216
  225    HD1  PHE  32           HD1      PHE  32   0.849  -5.400 -12.275
  226    HD2  PHE  32           HD2      PHE  32   2.484  -2.262  -9.806
  227    HE1  PHE  32           HE1      PHE  32   0.380  -6.745 -10.254
  228    HE2  PHE  32           HE2      PHE  32   2.025  -3.654  -7.785
  229    HZ   PHE  32           HZ       PHE  32   1.131  -5.936  -8.036
  230    H    VAL  33           H        VAL  33   4.147   1.027 -12.137
  231    HA   VAL  33           HA       VAL  33   6.316   0.905 -12.199
  232    HB   VAL  33           HB       VAL  33   5.580  -1.031 -10.010
  233   1HG1  VAL  33          HG11      VAL  33   8.200   0.477 -10.285
  234   2HG1  VAL  33          HG12      VAL  33   7.597  -0.294  -8.811
  235   3HG1  VAL  33          HG13      VAL  33   7.985  -1.300 -10.189
  236   1HG2  VAL  33          HG21      VAL  33   4.500   1.189  -9.891
  237   2HG2  VAL  33          HG22      VAL  33   5.709   1.026  -8.625
  238   3HG2  VAL  33          HG23      VAL  33   6.081   1.970 -10.074
  239    H    ILE  34           H        ILE  34   8.408  -0.438 -12.053
  240    HA   ILE  34           HA       ILE  34   9.884  -1.750 -13.002
  241    HB   ILE  34           HB       ILE  34   7.773  -3.559 -12.955
  242   1HG1  ILE  34          HG11      ILE  34   9.539  -5.246 -13.593
  243   2HG1  ILE  34          HG12      ILE  34  10.652  -3.892 -13.839
  244   1HG2  ILE  34          HG21      ILE  34   8.885  -3.709 -15.775
  245   2HG2  ILE  34          HG22      ILE  34   7.659  -4.735 -15.012
  246   3HG2  ILE  34          HG23      ILE  34   7.280  -3.051 -15.397
  247   1HD1  ILE  34          HD11      ILE  34   9.185  -4.619 -11.252
  248   2HD1  ILE  34          HD12      ILE  34  10.900  -4.898 -11.596
  249   3HD1  ILE  34          HD13      ILE  34  10.294  -3.243 -11.419
</PRE>