*HEADER    NEUROTOXIN                              15-SEP-97   1M2C      
*TITLE     THREE-DIMENSIONAL STRUCTURE OF ALPHA-CONOTOXIN MII, NMR,      
*TITLE    2 14 STRUCTURES                                                
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN MII;                               
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 ENGINEERED: YES                                              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: YES;                                              
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS MAGUS;                            
*SOURCE   4 ORGANISM_COMMON: MAGUS CONE                                  
*KEYWDS    NEUROTOXIN, NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR         
*KEYWDS   2 INHIBITOR, SUBTYPE SPECIFIC LIGAND, PRESYNAPTIC NICOTINIC    
*KEYWDS   3 ACETYLCHOLINE RECEPTOR BLOCKER, CHOLINERGIC MODULATION,      
*KEYWDS   4 DOPAMINE RELEASE                                             
*EXPDTA    NMR, 14 STRUCTURES                                            
*AUTHOR    K.J.SHON,S.C.KOERBER,J.E.RIVIER,B.M.OLIVERA,J.M.MCINTOSH      
*REVDAT   1   12-OCT-04 1M2C    0   

!BIOSYM restraint 1
!
#remote_prochiral_center
!
#chiral
1:CYS_2:CA	R
1:CYS_3:CA	R
1:SER_4:CA	S
1:ASN_5:CA	S
1:PRO_6:CA	S
1:VAL_7:CA	S
1:CYS_8:CA	R
1:HIS+_9:CA	S
1:LEU_10:CA	S
1:GLU_11:CA	S
1:HIS+_12:CA	S
1:SER_13:CA	S
1:ASN_14:CA	S
1:LEU_15:CA	S
1:CYS_16:CA	R
!
#distance
1:CYS_2:HN	1:GLYN_1:HA*	-1.000	3.375	30.00	30.00	1000.000		
1:CYS_3:HN	1:GLYN_1:HA*	-1.000	4.698	30.00	30.00	1000.000		
1:ASN_14:HN	1:ASN_14:HB*	-1.000	3.577	30.00	30.00	1000.000		
1:CYS_8:HN	1:VAL_7:HG2*	-1.000	5.478	30.00	30.00	1000.000		
1:CYS_8:HN	1:VAL_7:HG1*	-1.000	4.307	30.00	30.00	1000.000	
1:CYS_8:HN	1:CYS_8:HB*	-1.000	3.553	30.00	30.00	1000.000		
1:LEU_15:HN	1:ASN_14:HB*	-1.000	3.684	30.00	30.00	1000.000		
1:LEU_15:HN	1:LEU_15:HB*	-1.000	3.440	30.00	30.00	1000.000		
1:LEU_15:HN	1:LEU_15:HD1*	-1.000	4.838	30.00	30.00	1000.000		
1:LEU_15:HN	1:LEU_15:HD2*	-1.000	4.688	30.00	30.00	1000.000		
1:CYS_16:HN	1:LEU_15:HB*	-1.000	3.786	30.00	30.00	1000.000		
1:LEU_10:HN	1:LEU_10:HB*	-1.000	3.327	30.00	30.00	1000.000		
1:VAL_7:HN	1:VAL_7:HG2*	-1.000	4.257	30.00	30.00	1000.000	
1:VAL_7:HN	1:VAL_7:HG1*	-1.000	4.648	30.00	30.00	1000.000		
1:ASN_14:HD22	1:ASN_14:HB*	-1.000	4.088	30.00	30.00	1000.000		
1:ASN_14:HD22	1:LEU_15:HD2*	-1.000	4.145	30.00	30.00	1000.000		
1:HIS+_9:HD2	1:LEU_10:HD*	-1.000	3.884	30.00	30.00	1000.000		
1:VAL_7:HA	1:LEU_10:HB*	-1.000	3.938	30.00	30.00	1000.000		
1:HIS+_12:HB2	1:LEU_15:HB*	-1.000	3.581	30.00	30.00	1000.000		
1:HIS+_12:HB2	1:LEU_15:HD1*	-1.000	4.421	30.00	30.00	1000.000	
!
#NOE_distance
1:HIS+_9:HN	1:CYS_8:HN	-1.000	2.891	2.891	30.00	30.00	1000.000	0.00
1:HIS+_9:HN	1:LEU_10:HN	-1.000	3.086	3.086	30.00	30.00	1000.000	0.00
1:CYS_2:HN	1:CYS_3:HN	-1.000	3.259	3.259	30.00	30.00	1000.000	0.00
1:CYS_3:HN	1:ASN_5:HN	-1.000	5.169	5.169	30.00	30.00	1000.000	0.00
1:CYS_3:HN	1:SER_4:HN	-1.000	2.946	2.946	30.00	30.00	1000.000	0.00
1:SER_13:HN	1:ASN_14:HN	-1.000	3.005	3.005	30.00	30.00	1000.000	0.00
1:LEU_15:HN	1:ASN_14:HN	-1.000	2.824	2.824	30.00	30.00	1000.000	0.00
1:CYS_16:HN	1:ASN_14:HN	-1.000	4.619	4.619	30.00	30.00	1000.000	0.00
1:ASN_5:HN	1:SER_4:HN	-1.000	2.538	2.538	30.00	30.00	1000.000	0.00
1:ASN_5:HN	1:ASN_5:HD22	-1.000	4.645	4.645	30.00	30.00	1000.000	0.00
1:ASN_5:HD21	1:ASN_5:HD22	-1.000	1.929	1.929	30.00	30.00	1000.000	0.00
1:SER_13:HN	1:HIS+_12:HN	-1.000	2.923	2.923	30.00	30.00	1000.000	0.00
1:SER_13:HN	1:LEU_15:HN	-1.000	3.811	3.811	30.00	30.00	1000.000	0.00
1:SER_13:HN	1:GLU_11:HN	-1.000	4.490	4.490	30.00	30.00	1000.000	0.00
1:CYS_8:HN	1:VAL_7:HN	-1.000	2.602	2.602	30.00	30.00	1000.000	0.00
1:HIS+_12:HN	1:GLU_11:HN	-1.000	2.697	2.697	30.00	30.00	1000.000	0.00
1:HIS+_12:HN	1:LEU_10:HN	-1.000	3.441	3.441	30.00	30.00	1000.000	0.00
1:LEU_15:HN	1:CYS_16:HN	-1.000	2.347	2.347	30.00	30.00	1000.000	0.00
1:GLU_11:HN	1:LEU_10:HN	-1.000	2.648	2.648	30.00	30.00	1000.000	0.00
1:CYS_16:HN	1:NH2_17:HN2	-1.000	3.001	3.001	30.00	30.00	1000.000	0.00
1:ASN_14:HD21	1:ASN_14:HD22	-1.000	2.067	2.067	30.00	30.00	1000.000	0.00
1:HIS+_9:HN	1:HIS+_9:HA	-1.000	2.736	2.736	30.00	30.00	1000.000	0.00
1:HIS+_9:HN	1:CYS_8:HA	-1.000	3.059	3.059	30.00	30.00	1000.000	0.00
1:HIS+_9:HN	1:HIS+_9:HB1	-1.000	2.574	2.574	30.00	30.00	1000.000	0.00
1:HIS+_9:HN	1:HIS+_9:HB2	-1.000	2.530	2.530	30.00	30.00	1000.000	0.00
1:CYS_2:HN	1:CYS_2:HA	-1.000	3.004	3.004	30.00	30.00	1000.000	0.00
1:CYS_2:HN	1:CYS_2:HB1	-1.000	2.574	2.574	30.00	30.00	1000.000	0.00
1:CYS_2:HN	1:CYS_2:HB2	-1.000	2.665	2.665	30.00	30.00	1000.000	0.00
1:CYS_3:HN	1:CYS_2:HA	-1.000	3.745	3.745	30.00	30.00	1000.000	0.00
1:CYS_3:HN	1:CYS_3:HA	-1.000	3.004	3.004	30.00	30.00	1000.000	0.00
1:CYS_3:HN	1:CYS_3:HB1	-1.000	2.961	2.961	30.00	30.00	1000.000	0.00
1:CYS_3:HN	1:CYS_2:HB2	-1.000	2.698	2.698	30.00	30.00	1000.000	0.00
1:ASN_14:HN	1:ASN_14:HA	-1.000	3.016	3.016	30.00	30.00	1000.000	0.00
1:ASN_14:HN	1:SER_13:HA	-1.000	2.895	2.895	30.00	30.00	1000.000	0.00
1:HIS+_12:HE1	1:GLU_11:HB2	-1.000	3.985	3.985	30.00	30.00	1000.000	0.00
1:HIS+_9:HE1	1:CYS_16:HB2	-1.000	4.588	4.588	30.00	30.00	1000.000	0.00
1:HIS+_9:HE1	1:CYS_16:HB1	-1.000	3.774	3.774	30.00	30.00	1000.000	0.00
1:ASN_5:HN	1:ASN_5:HA	-1.000	3.113	3.113	30.00	30.00	1000.000	0.00
1:ASN_5:HN	1:SER_4:HA	-1.000	3.460	3.460	30.00	30.00	1000.000	0.00
1:ASN_5:HN	1:ASN_5:HB1	-1.000	2.595	2.595	30.00	30.00	1000.000	0.00
1:ASN_5:HN	1:ASN_5:HB2	-1.000	3.459	3.459	30.00	30.00	1000.000	0.00
1:ASN_5:HD21	1:ASN_5:HB2	-1.000	3.169	3.169	30.00	30.00	1000.000	0.00
1:SER_13:HN	1:HIS+_12:HA	-1.000	2.665	2.665	30.00	30.00	1000.000	0.00
1:SER_13:HN	1:SER_13:HA	-1.000	2.392	2.392	30.00	30.00	1000.000	0.00
1:SER_4:HN	1:SER_4:HA	-1.000	3.046	3.046	30.00	30.00	1000.000	0.00
1:CYS_8:HN	1:CYS_8:HA	-1.000	2.563	2.563	30.00	30.00	1000.000	0.00
1:SER_4:HN	1:SER_4:HB1	-1.000	3.288	3.288	30.00	30.00	1000.000	0.00
1:SER_4:HN	1:SER_4:HB2	-1.000	3.529	3.529	30.00	30.00	1000.000	0.00
1:CYS_8:HN	1:VAL_7:HA	-1.000	3.442	3.442	30.00	30.00	1000.000	0.00
1:CYS_8:HN	1:ASN_5:HB1	-1.000	2.937	2.937	30.00	30.00	1000.000	0.00
1:CYS_8:HN	1:ASN_5:HB2	-1.000	4.074	4.074	30.00	30.00	1000.000	0.00
1:SER_4:HN	1:CYS_3:HB2	-1.000	3.283	3.283	30.00	30.00	1000.000	0.00
1:CYS_8:HN	1:VAL_7:HB	-1.000	2.629	2.629	30.00	30.00	1000.000	0.00
1:HIS+_12:HN	1:HIS+_12:HA	-1.000	2.919	2.919	30.00	30.00	1000.000	0.00
1:HIS+_12:HN	1:GLU_11:HA	-1.000	3.306	3.306	30.00	30.00	1000.000	0.00
1:HIS+_12:HN	1:SER_13:HA	-1.000	3.752	3.752	30.00	30.00	1000.000	0.00
1:HIS+_12:HN	1:HIS+_12:HB2	-1.000	4.276	4.276	30.00	30.00	1000.000	0.00
1:HIS+_12:HN	1:HIS+_12:HB1	-1.000	2.807	2.807	30.00	30.00	1000.000	0.00
1:HIS+_12:HN	1:GLU_11:HB1	-1.000	3.177	3.177	30.00	30.00	1000.000	0.00
1:HIS+_12:HN	1:GLU_11:HB2	-1.000	3.293	3.293	30.00	30.00	1000.000	0.00
1:LEU_15:HN	1:ASN_14:HA	-1.000	3.421	3.421	30.00	30.00	1000.000	0.00
1:LEU_15:HN	1:LEU_15:HA	-1.000	2.910	2.910	30.00	30.00	1000.000	0.00
1:LEU_15:HN	1:SER_13:HA	-1.000	3.635	3.635	30.00	30.00	1000.000	0.00
1:LEU_15:HN	1:HIS+_12:HB2	-1.000	3.570	3.570	30.00	30.00	1000.000	0.00
1:LEU_15:HN	1:LEU_15:HG	-1.000	2.952	2.952	30.00	30.00	1000.000	0.00
1:CYS_16:HN	1:CYS_16:HA	-1.000	3.088	3.088	30.00	30.00	1000.000	0.00
1:CYS_16:HN	1:LEU_15:HA	-1.000	3.409	3.409	30.00	30.00	1000.000	0.00
1:CYS_16:HN	1:SER_13:HA	-1.000	3.421	3.421	30.00	30.00	1000.000	0.00
1:CYS_16:HN	1:CYS_16:HB1	-1.000	3.625	3.625	30.00	30.00	1000.000	0.00
1:CYS_16:HN	1:CYS_16:HB2	-1.000	2.604	2.604	30.00	30.00	1000.000	0.00
1:GLU_11:HN	1:CYS_8:HA	-1.000	3.614	3.614	30.00	30.00	1000.000	0.00
1:GLU_11:HN	1:LEU_10:HA	-1.000	3.352	3.352	30.00	30.00	1000.000	0.00
1:GLU_11:HN	1:GLU_11:HA	-1.000	2.948	2.948	30.00	30.00	1000.000	0.00
1:GLU_11:HN	1:GLU_11:HG2	-1.000	2.826	2.826	30.00	30.00	1000.000	0.00
1:GLU_11:HN	1:GLU_11:HG1	-1.000	3.766	3.766	30.00	30.00	1000.000	0.00
1:GLU_11:HN	1:GLU_11:HB1	-1.000	2.530	2.530	30.00	30.00	1000.000	0.00
1:GLU_11:HN	1:GLU_11:HB2	-1.000	3.035	3.035	30.00	30.00	1000.000	0.00
1:HIS+_12:HD2	1:HIS+_12:HA	-1.000	3.273	3.273	30.00	30.00	1000.000	0.00
1:LEU_10:HN	1:HIS+_9:HA	-1.000	3.159	3.159	30.00	30.00	1000.000	0.00
1:LEU_10:HN	1:VAL_7:HA	-1.000	3.286	3.286	30.00	30.00	1000.000	0.00
1:LEU_10:HN	1:CYS_8:HA	-1.000	3.085	3.085	30.00	30.00	1000.000	0.00
1:VAL_7:HN	1:VAL_7:HA	-1.000	2.995	2.995	30.00	30.00	1000.000	0.00
1:VAL_7:HN	1:PRO_6:HA	-1.000	3.204	3.204	30.00	30.00	1000.000	0.00
1:LEU_10:HN	1:HIS+_9:HB2	-1.000	2.530	2.530	30.00	30.00	1000.000	0.00
1:VAL_7:HN	1:PRO_6:HG1	-1.000	3.210	3.210	30.00	30.00	1000.000	0.00
1:VAL_7:HN	1:VAL_7:HB	-1.000	2.194	2.194	30.00	30.00	1000.000	0.00
1:LEU_10:HN	1:LEU_10:HG	-1.000	3.088	3.088	30.00	30.00	1000.000	0.00
1:NH2_17:HN1	1:CYS_16:HA	-1.000	4.491	4.491	30.00	30.00	1000.000	0.00
1:NH2_17:HN2	1:CYS_16:HA	-1.000	3.980	3.980	30.00	30.00	1000.000	0.00
1:NH2_17:HN2	1:ASN_14:HA	-1.000	4.223	4.223	30.00	30.00	1000.000	0.00
1:NH2_17:HN2	1:SER_13:HA	-1.000	3.590	3.590	30.00	30.00	1000.000	0.00
1:ASN_5:HD22	1:VAL_7:HB	-1.000	3.683	3.683	30.00	30.00	1000.000	0.00
1:HIS+_9:HD2	1:CYS_3:HA	-1.000	4.169	4.169	30.00	30.00	1000.000	0.00
1:HIS+_9:HD2	1:HIS+_9:HA	-1.000	3.594	3.594	30.00	30.00	1000.000	0.00
1:HIS+_9:HD2	1:LEU_10:HA	-1.000	3.555	3.555	30.00	30.00	1000.000	0.00
1:HIS+_9:HD2	1:SER_13:HA	-1.000	3.218	3.218	30.00	30.00	1000.000	0.00
1:HIS+_9:HD2	1:HIS+_9:HB2	-1.000	3.184	3.184	30.00	30.00	1000.000	0.00
1:HIS+_9:HD2	1:CYS_16:HB1	-1.000	3.783	3.783	30.00	30.00	1000.000	0.00
1:HIS+_9:HD2	1:CYS_16:HB2	-1.000	3.618	3.618	30.00	30.00	1000.000	0.00
1:PRO_6:HD2	1:ASN_5:HA	-1.000	2.255	2.255	30.00	30.00	1000.000	0.00
1:SER_13:HA	1:CYS_16:HB2	-1.000	3.157	3.157	30.00	30.00	1000.000	0.00
1:ASN_5:HB1	1:ASN_5:HA	-1.000	3.439	3.439	30.00	30.00	1000.000	0.00
1:ASN_5:HB2	1:ASN_5:HA	-1.000	2.554	2.554	30.00	30.00	1000.000	0.00
1:HIS+_12:HB2	1:HIS+_12:HA	-1.000	2.470	2.470	30.00	30.00	1000.000	0.00
1:HIS+_12:HB1	1:HIS+_12:HA	-1.000	2.982	2.982	30.00	30.00	1000.000	0.00
1:CYS_16:HB1	1:CYS_16:HA	-1.000	2.585	2.585	30.00	30.00	1000.000	0.00
1:CYS_16:HB2	1:CYS_16:HA	-1.000	3.154	3.154	30.00	30.00	1000.000	0.00
1:SER_4:HB1	1:SER_4:HA	-1.000	2.683	2.683	30.00	30.00	1000.000	0.00
1:SER_4:HB2	1:SER_4:HA	-1.000	2.531	2.531	30.00	30.00	1000.000	0.00
1:CYS_2:HB1	1:CYS_2:HA	-1.000	2.404	2.404	30.00	30.00	1000.000	0.00
1:CYS_2:HB2	1:CYS_2:HA	-1.000	3.030	3.030	30.00	30.00	1000.000	0.00
1:HIS+_9:HA	1:HIS+_9:HB1	-1.000	2.379	2.379	30.00	30.00	1000.000	0.00
1:PRO_6:HA	1:PRO_6:HB1	-1.000	2.541	2.541	30.00	30.00	1000.000	0.00
1:PRO_6:HA	1:PRO_6:HB2	-1.000	2.718	2.718	30.00	30.00	1000.000	0.00
1:LEU_10:HA	1:LEU_10:HG	-1.000	3.366	3.366	30.00	30.00	1000.000	0.00
1:GLU_11:HA	1:GLU_11:HG2	-1.000	3.359	3.359	30.00	30.00	1000.000	0.00
1:GLU_11:HA	1:GLU_11:HB2	-1.000	2.545	2.545	30.00	30.00	1000.000	0.00
1:PRO_6:HD2	1:PRO_6:HD1	-1.000	1.666	1.666	30.00	30.00	1000.000	0.00
1:PRO_6:HD1	1:PRO_6:HG1	-1.000	2.531	2.531	30.00	30.00	1000.000	0.00
1:VAL_7:HA	1:VAL_7:HB	-1.000	3.107	3.107	30.00	30.00	1000.000	0.00
1:HIS+_9:HB1	1:HIS+_9:HB2	-1.000	1.713	1.713	30.00	30.00	1000.000	0.00
1:HIS+_12:HB2	1:HIS+_12:HB1	-1.000	1.776	1.776	30.00	30.00	1000.000	0.00
1:ASN_5:HB1	1:ASN_5:HB2	-1.000	1.785	1.785	30.00	30.00	1000.000	0.00
1:CYS_3:HB1	1:CYS_3:HB2	-1.000	1.831	1.831	30.00	30.00	1000.000	0.00
1:CYS_2:HB1	1:CYS_2:HB2	-1.000	1.894	1.894	30.00	30.00	1000.000	0.00
1:GLU_11:HG2	1:GLU_11:HG1	-1.000	1.969	1.969	30.00	30.00	1000.000	0.00
1:GLU_11:HG2	1:GLU_11:HB1	-1.000	2.924	2.924	30.00	30.00	1000.000	0.00
1:GLU_11:HG2	1:GLU_11:HB2	-1.000	2.960	2.960	30.00	30.00	1000.000	0.00
1:GLU_11:HG1	1:GLU_11:HB2	-1.000	2.931	2.931	30.00	30.00	1000.000	0.00
1:CYS_16:HB1	1:CYS_16:HB2	-1.000	1.867	1.867	30.00	30.00	1000.000	0.00
1:PRO_6:HB1	1:PRO_6:HG1	-1.000	2.705	2.705	30.00	30.00	1000.000	0.00
1:PRO_6:HB1	1:PRO_6:HB2	-1.000	1.962	1.962	30.00	30.00	1000.000	0.00
1:PRO_6:HG1	1:PRO_6:HG2	-1.000	1.682	1.682	30.00	30.00	1000.000	0.00
1:GLU_11:HB1	1:GLU_11:HB2	-1.000	1.815	1.815	30.00	30.00	1000.000	0.00
!
#mixing_times
7.500000E-021.500000E-01	2.500000E-01	3.500000E-01	
!
#NMR_dihedral
1:GLYN_1:C	1:CYS_2:N	1:CYS_2:CA	1:CYS_2:C	-90.000	-30.000	100.00	100.00	1000.000	
1:CYS_2:C	1:CYS_3:N	1:CYS_3:CA	1:CYS_3:C	-90.000	-30.000	100.00	100.00	1000.000	
1:CYS_3:C	1:SER_4:N	1:SER_4:CA	1:SER_4:C	-90.000	-30.000	100.00	100.00	1000.000	
1:SER_4:C	1:ASN_5:N	1:ASN_5:CA	1:ASN_5:C	-150.00	-90.000	100.00	100.00	1000.000	
1:VAL_7:C	1:CYS_8:N	1:CYS_8:CA	1:CYS_8:C	-90.000	-30.000	100.00	100.00	1000.000	
1:CYS_8:C	1:HIS+_9:N	1:HIS+_9:CA	1:HIS+_9:C	-90.000	-30.000	100.00	100.00	1000.000	
1:HIS+_9:C	1:LEU_10:N	1:LEU_10:CA	1:LEU_10:C	-90.000	-30.000	100.00	100.00	1000.000	
1:GLU_11:C	1:HIS+_12:N	1:HIS+_12:CA	1:HIS+_12:C	-150.00	-90.000	100.00	100.00	1000.000	
1:HIS+_12:C	1:SER_13:N	1:SER_13:CA	1:SER_13:C	-90.000	-30.000	100.00	100.00	1000.000	
1:SER_13:C	1:ASN_14:N	1:ASN_14:CA	1:ASN_14:C	-90.000	-30.000	100.00	100.00	1000.000	
1:ASN_14:C	1:LEU_15:N	1:LEU_15:CA	1:LEU_15:C	-90.000	-30.000	100.00	100.00	1000.000	
1:CYS_2:N	1:CYS_2:CA	1:CYS_2:CB	1:CYS_2:SG	-150.00	150.000	100.00	100.00	1000.000	
1:HIS+_9:N	1:HIS+_9:CA	1:HIS+_9:CB	1:HIS+_9:CG	-150.00	150.000	100.00	100.00	1000.000	
1:ASN_5:N	1:ASN_5:CA	1:ASN_5:CB	1:ASN_5:CG	-90.000	-30.000	100.00	100.00	1000.000	


  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    GLY   1          3H        GLY   1  16.149  14.188  14.188
    2   2H    GLY   1          1H        GLY   1  15.549  13.935  13.935
    3   3H    GLY   1          2H        GLY   1  14.695  14.893  14.893
    4   1HA   GLY   1          1HA       GLY   1  15.844  16.270  16.270
    5   2HA   GLY   1          2HA       GLY   1  17.384  15.550  15.550
    6    H    CYS   2           H        CYS   2  17.281  18.712  18.712
    7    HA   CYS   2           HA       CYS   2  17.745  17.875  17.875
    8   1HB   CYS   2          1HB       CYS   2  19.143  19.397  19.397
    9   2HB   CYS   2          2HB       CYS   2  17.996  20.698  20.698
   10    H    CYS   3           H        CYS   3  15.586  20.503  20.503
   11    HA   CYS   3           HA       CYS   3  13.961  21.072  21.072
   12   1HB   CYS   3          1HB       CYS   3  14.209  22.336  22.336
   13   2HB   CYS   3          2HB       CYS   3  13.317  21.074  21.074
   14    H    SER   4           H        SER   4  13.571  18.289  18.289
   15    HA   SER   4           HA       SER   4  10.956  17.405  17.405
   16   1HB   SER   4          1HB       SER   4  11.311  15.686  15.686
   17   2HB   SER   4          2HB       SER   4  11.395  17.301  17.301
   18    HG   SER   4           HG       SER   4  13.078  16.330  16.330
   19    H    ASN   5           H        ASN   5  14.222  16.819  16.819
   20    HA   ASN   5           HA       ASN   5  13.348  14.497  14.497
   21   1HB   ASN   5          1HB       ASN   5  16.100  15.832  15.832
   22   2HB   ASN   5          2HB       ASN   5  15.814  14.978  14.978
   23   1HD2  ASN   5          1HD2      ASN   5  16.367  11.911  11.911
   24   2HD2  ASN   5          2HD2      ASN   5  15.707  13.088  13.088
   25    HA   PRO   6           HA       PRO   6  12.524  18.059  18.059
   26   1HB   PRO   6          1HB       PRO   6  11.966  16.777  16.777
   27   2HB   PRO   6          2HB       PRO   6  10.866  16.831  16.831
   28   1HG   PRO   6          1HG       PRO   6  12.710  14.520  14.520
   29   2HG   PRO   6          2HG       PRO   6  11.034  14.432  14.432
   30   1HD   PRO   6          1HD       PRO   6  13.153  13.999  13.999
   31   2HD   PRO   6          2HD       PRO   6  11.641  14.619  14.619
   32    H    VAL   7           H        VAL   7  15.093  15.928  15.928
   33    HA   VAL   7           HA       VAL   7  16.567  17.703  17.703
   34    HB   VAL   7           HB       VAL   7  17.068  14.940  14.940
   35   1HG1  VAL   7          1HG2      VAL   7  19.070  16.317  16.317
   36   2HG1  VAL   7          2HG2      VAL   7  19.171  14.633  14.633
   37   3HG1  VAL   7          3HG2      VAL   7  19.383  15.954  15.954
   38   1HG2  VAL   7          1HG1      VAL   7  15.520  14.920  14.920
   39   2HG2  VAL   7          2HG1      VAL   7  17.007  14.024  14.024
   40   3HG2  VAL   7          3HG1      VAL   7  16.784  15.658  15.658
   41    H    CYS   8           H        CYS   8  17.355  16.575  16.575
   42    HA   CYS   8           HA       CYS   8  19.259  18.670  18.670
   43   1HB   CYS   8          1HB       CYS   8  19.325  16.510  16.510
   44   2HB   CYS   8          2HB       CYS   8  17.940  17.112  17.112
   45    H    HIS   9           H        HIS   9  16.122  18.799  18.799
   46    HA   HIS   9           HA       HIS   9  15.792  21.444  21.444
   47   1HB   HIS   9          1HB       HIS   9  13.964  19.804  19.804
   48   2HB   HIS   9          2HB       HIS   9  14.310  19.747  19.747
   49    HD1  HIS   9           HD1      HIS   9  11.556  20.209  20.209
   50    HD2  HIS   9           HD2      HIS   9  13.833  22.948  22.948
   51    HE1  HIS   9           HE1      HIS   9  10.350  22.380  22.380
   52    HE2  HIS   9           HE2      HIS   9  11.288  23.837  23.837
   53    H    LEU  10           H        LEU  10  16.639  20.446  20.446
   54    HA   LEU  10           HA       LEU  10  16.061  23.277  23.277
   55   1HB   LEU  10          1HB       LEU  10  16.160  20.668  20.668
   56   2HB   LEU  10          2HB       LEU  10  16.085  22.244  22.244
   57    HG   LEU  10           HG       LEU  10  13.977  21.199  21.199
   58   1HD1  LEU  10          1HD2      LEU  10  14.009  19.855  19.855
   59   2HD1  LEU  10          2HD2      LEU  10  13.853  21.334  21.334
   60   3HD1  LEU  10          3HD2      LEU  10  12.532  20.826  20.826
   61   1HD2  LEU  10          1HD1      LEU  10  13.884  23.667  23.667
   62   2HD2  LEU  10          2HD1      LEU  10  13.976  23.750  23.750
   63   3HD2  LEU  10          3HD1      LEU  10  12.530  23.089  23.089
   64    H    GLU  11           H        GLU  11  18.737  20.866  20.866
   65    HA   GLU  11           HA       GLU  11  20.934  22.422  22.422
   66   1HB   GLU  11          1HB       GLU  11  20.142  20.545  20.545
   67   2HB   GLU  11          2HB       GLU  11  21.713  21.169  21.169
   68   1HG   GLU  11          1HG       GLU  11  22.118  20.050  20.050
   69   2HG   GLU  11          2HG       GLU  11  20.433  19.538  19.538
   70    HE2  GLU  11           HE2      GLU  11  22.110  16.618  16.618
   71    H    HIS  12           H        HIS  12  18.960  23.046  23.046
   72    HA   HIS  12           HA       HIS  12  20.270  25.707  25.707
   73   1HB   HIS  12          1HB       HIS  12  20.164  23.686  23.686
   74   2HB   HIS  12          2HB       HIS  12  20.351  25.426  25.426
   75    HD1  HIS  12           HD1      HIS  12  22.391  22.375  22.375
   76    HD2  HIS  12           HD2      HIS  12  22.639  26.626  26.626
   77    HE1  HIS  12           HE1      HIS  12  24.768  23.040  23.040
   78    HE2  HIS  12           HE2      HIS  12  25.090  25.620  25.620
   79    H    SER  13           H        SER  13  18.036  25.446  25.446
   80    HA   SER  13           HA       SER  13  15.796  25.412  25.412
   81   1HB   SER  13          1HB       SER  13  16.191  25.599  25.599
   82   2HB   SER  13          2HB       SER  13  16.082  27.346  27.346
   83    HG   SER  13           HG       SER  13  14.016  26.867  26.867
   84    H    ASN  14           H        ASN  14  17.588  27.967  27.967
   85    HA   ASN  14           HA       ASN  14  16.101  29.953  29.953
   86   1HB   ASN  14          1HB       ASN  14  18.219  30.728  30.728
   87   2HB   ASN  14          2HB       ASN  14  18.332  30.463  30.463
   88   1HD2  ASN  14          1HD2      ASN  14  21.324  29.044  29.044
   89   2HD2  ASN  14          2HD2      ASN  14  20.214  30.432  30.432
   90    H    LEU  15           H        LEU  15  17.588  26.893  26.893
   91    HA   LEU  15           HA       LEU  15  16.999  27.101  27.101
   92   1HB   LEU  15          1HB       LEU  15  18.533  24.872  24.872
   93   2HB   LEU  15          2HB       LEU  15  18.284  25.024  25.024
   94    HG   LEU  15           HG       LEU  15  19.943  26.970  26.970
   95   1HD1  LEU  15          1HD1      LEU  15  20.978  24.671  24.671
   96   2HD1  LEU  15          2HD1      LEU  15  20.824  24.921  24.921
   97   3HD1  LEU  15          3HD1      LEU  15  21.890  25.977  25.977
   98   1HD2  LEU  15          1HD2      LEU  15  19.502  26.978  26.978
   99   2HD2  LEU  15          2HD2      LEU  15  18.970  28.229  28.229
  100   3HD2  LEU  15          3HD2      LEU  15  20.696  27.971  27.971
  101    H    CYS  16           H        CYS  16  15.380  25.854  25.854
  102    HA   CYS  16           HA       CYS  16  13.461  24.447  24.447
  103   1HB   CYS  16          1HB       CYS  16  14.020  23.224  23.224
  104   2HB   CYS  16          2HB       CYS  16  13.215  24.552  24.552
  105   1HN   NH2  17          1H        NH2  17  13.333  27.130  27.130
  106   2HN   NH2  17          2H        NH2  17  11.896  27.874  27.874

  Start of MODEL    2
    1   1H    GLY   1          3H        GLY   1  13.780  17.978  17.978
    2   2H    GLY   1          1H        GLY   1  14.176  17.146  17.146
    3   3H    GLY   1          2H        GLY   1  13.846  16.297  16.297
    4   1HA   GLY   1          1HA       GLY   1  16.245  16.323  16.323
    5   2HA   GLY   1          2HA       GLY   1  16.206  18.082  18.082
    6    H    CYS   2           H        CYS   2  17.697  18.283  18.283
    7    HA   CYS   2           HA       CYS   2  17.217  16.863  16.863
    8   1HB   CYS   2          1HB       CYS   2  19.444  17.562  17.562
    9   2HB   CYS   2          2HB       CYS   2  18.928  19.245  19.245
   10    H    CYS   3           H        CYS   3  16.327  20.233  20.233
   11    HA   CYS   3           HA       CYS   3  14.740  21.021  21.021
   12   1HB   CYS   3          1HB       CYS   3  15.285  22.556  22.556
   13   2HB   CYS   3          2HB       CYS   3  14.477  21.547  21.547
   14    H    SER   4           H        SER   4  13.953  18.411  18.411
   15    HA   SER   4           HA       SER   4  11.170  18.126  18.126
   16   1HB   SER   4          1HB       SER   4  10.731  16.655  16.655
   17   2HB   SER   4          2HB       SER   4  11.478  18.024  18.024
   18    HG   SER   4           HG       SER   4  12.671  15.500  15.500
   19    H    ASN   5           H        ASN   5  14.288  17.138  17.138
   20    HA   ASN   5           HA       ASN   5  13.260  14.728  14.728
   21   1HB   ASN   5          1HB       ASN   5  15.763  16.040  16.040
   22   2HB   ASN   5          2HB       ASN   5  15.710  15.930  15.930
   23   1HD2  ASN   5          1HD2      ASN   5  17.365  13.107  13.107
   24   2HD2  ASN   5          2HD2      ASN   5  17.030  14.217  14.217
   25    HA   PRO   6           HA       PRO   6  12.197  17.119  17.119
   26   1HB   PRO   6          1HB       PRO   6  12.850  15.433  15.433
   27   2HB   PRO   6          2HB       PRO   6  11.557  15.056  15.056
   28   1HG   PRO   6          1HG       PRO   6  14.474  14.066  14.066
   29   2HG   PRO   6          2HG       PRO   6  13.061  13.093  13.093
   30   1HD   PRO   6          1HD       PRO   6  14.278  13.884  13.884
   31   2HD   PRO   6          2HD       PRO   6  12.540  13.796  13.796
   32    H    VAL   7           H        VAL   7  15.273  15.661  15.661
   33    HA   VAL   7           HA       VAL   7  16.319  17.791  17.791
   34    HB   VAL   7           HB       VAL   7  17.399  15.124  15.124
   35   1HG1  VAL   7          1HG1      VAL   7  18.703  16.661  16.661
   36   2HG1  VAL   7          2HG1      VAL   7  19.150  15.022  15.022
   37   3HG1  VAL   7          3HG1      VAL   7  19.416  16.412  16.412
   38   1HG2  VAL   7          1HG2      VAL   7  15.476  14.815  14.815
   39   2HG2  VAL   7          2HG2      VAL   7  16.976  14.076  14.076
   40   3HG2  VAL   7          3HG2      VAL   7  16.415  15.634  15.634
   41    H    CYS   8           H        CYS   8  17.652  16.545  16.545
   42    HA   CYS   8           HA       CYS   8  19.478  18.741  18.741
   43   1HB   CYS   8          1HB       CYS   8  20.579  17.844  17.844
   44   2HB   CYS   8          2HB       CYS   8  19.785  16.400  16.400
   45    H    HIS   9           H        HIS   9  16.502  18.717  18.717
   46    HA   HIS   9           HA       HIS   9  16.215  21.262  21.262
   47   1HB   HIS   9          1HB       HIS   9  14.396  19.611  19.611
   48   2HB   HIS   9          2HB       HIS   9  14.586  19.572  19.572
   49    HD1  HIS   9           HD1      HIS   9  11.832  19.638  19.638
   50    HD2  HIS   9           HD2      HIS   9  13.978  22.826  22.826
   51    HE1  HIS   9           HE1      HIS   9  10.181  21.570  21.570
   52    HE2  HIS   9           HE2      HIS   9  11.353  23.443  23.443
   53    H    LEU  10           H        LEU  10  16.686  20.422  20.422
   54    HA   LEU  10           HA       LEU  10  16.057  23.307  23.307
   55   1HB   LEU  10          1HB       LEU  10  16.122  20.751  20.751
   56   2HB   LEU  10          2HB       LEU  10  15.929  22.343  22.343
   57    HG   LEU  10           HG       LEU  10  13.986  21.158  21.158
   58   1HD1  LEU  10          1HD1      LEU  10  13.933  19.852  19.852
   59   2HD1  LEU  10          2HD1      LEU  10  13.681  21.334  21.334
   60   3HD1  LEU  10          3HD1      LEU  10  12.441  20.783  20.783
   61   1HD2  LEU  10          1HD2      LEU  10  13.703  23.671  23.671
   62   2HD2  LEU  10          2HD2      LEU  10  13.910  23.708  23.708
   63   3HD2  LEU  10          3HD2      LEU  10  12.438  23.019  23.019
   64    H    GLU  11           H        GLU  11  18.838  21.024  21.024
   65    HA   GLU  11           HA       GLU  11  20.916  22.823  22.823
   66   1HB   GLU  11          1HB       GLU  11  20.300  20.674  20.674
   67   2HB   GLU  11          2HB       GLU  11  21.806  21.427  21.427
   68   1HG   GLU  11          1HG       GLU  11  22.204  20.543  20.543
   69   2HG   GLU  11          2HG       GLU  11  20.611  19.803  19.803
   70    HE2  GLU  11           HE2      GLU  11  22.820  17.169  17.169
   71    H    HIS  12           H        HIS  12  18.854  23.028  23.028
   72    HA   HIS  12           HA       HIS  12  20.356  25.393  25.393
   73   1HB   HIS  12          1HB       HIS  12  19.305  23.072  23.072
   74   2HB   HIS  12          2HB       HIS  12  19.922  24.566  24.566
   75    HD1  HIS  12           HD1      HIS  12  21.013  21.211  21.211
   76    HD2  HIS  12           HD2      HIS  12  22.761  25.064  25.064
   77    HE1  HIS  12           HE1      HIS  12  23.605  21.006  21.006
   78    HE2  HIS  12           HE2      HIS  12  24.759  23.292  23.292
   79    H    SER  13           H        SER  13  18.337  25.569  25.569
   80    HA   SER  13           HA       SER  13  15.859  25.510  25.510
   81   1HB   SER  13          1HB       SER  13  15.182  26.797  26.797
   82   2HB   SER  13          2HB       SER  13  16.425  25.600  25.600
   83    HG   SER  13           HG       SER  13  16.898  27.680  27.680
   84    H    ASN  14           H        ASN  14  17.533  28.211  28.211
   85    HA   ASN  14           HA       ASN  14  15.958  30.222  30.222
   86   1HB   ASN  14          1HB       ASN  14  18.169  30.739  30.739
   87   2HB   ASN  14          2HB       ASN  14  18.940  29.408  29.408
   88   1HD2  ASN  14          2HD2      ASN  14  19.438  31.380  31.380
   89   2HD2  ASN  14          1HD2      ASN  14  19.395  29.682  29.682
   90    H    LEU  15           H        LEU  15  17.505  27.222  27.222
   91    HA   LEU  15           HA       LEU  15  16.537  27.672  27.672
   92   1HB   LEU  15          1HB       LEU  15  18.333  25.449  25.449
   93   2HB   LEU  15          2HB       LEU  15  17.954  25.747  25.747
   94    HG   LEU  15           HG       LEU  15  18.858  28.275  28.275
   95   1HD1  LEU  15          1HD2      LEU  15  19.680  27.495  27.495
   96   2HD1  LEU  15          2HD2      LEU  15  20.851  26.426  26.426
   97   3HD1  LEU  15          3HD2      LEU  15  20.936  28.183  28.183
   98   1HD2  LEU  15          1HD1      LEU  15  19.510  27.042  27.042
   99   2HD2  LEU  15          2HD1      LEU  15  20.941  27.736  27.736
  100   3HD2  LEU  15          3HD1      LEU  15  20.599  25.985  25.985
  101    H    CYS  16           H        CYS  16  15.221  26.270  26.270
  102    HA   CYS  16           HA       CYS  16  13.008  25.068  25.068
  103   1HB   CYS  16          1HB       CYS  16  13.838  24.189  24.189
  104   2HB   CYS  16          2HB       CYS  16  12.139  24.641  24.641
  105   1HN   NH2  17          1H        NH2  17  11.921  28.368  28.368
  106   2HN   NH2  17          2H        NH2  17  13.302  27.373  27.373

  Start of MODEL    3
    1   1H    GLY   1          2H        GLY   1  14.514  13.846  13.846
    2   2H    GLY   1          3H        GLY   1  13.482  15.173  15.173
    3   3H    GLY   1          1H        GLY   1  14.223  14.645  14.645
    4   1HA   GLY   1          1HA       GLY   1  16.418  15.264  15.264
    5   2HA   GLY   1          2HA       GLY   1  15.328  16.651  16.651
    6    H    CYS   2           H        CYS   2  17.487  16.987  16.987
    7    HA   CYS   2           HA       CYS   2  17.172  16.036  16.036
    8   1HB   CYS   2          1HB       CYS   2  19.337  16.682  16.682
    9   2HB   CYS   2          2HB       CYS   2  18.758  18.253  18.253
   10    H    CYS   3           H        CYS   3  16.193  19.251  19.251
   11    HA   CYS   3           HA       CYS   3  14.710  20.428  20.428
   12   1HB   CYS   3          1HB       CYS   3  14.297  20.289  20.289
   13   2HB   CYS   3          2HB       CYS   3  13.196  21.138  21.138
   14    H    SER   4           H        SER   4  13.623  17.767  17.767
   15    HA   SER   4           HA       SER   4  10.925  17.528  17.528
   16   1HB   SER   4          1HB       SER   4  10.520  15.823  15.823
   17   2HB   SER   4          2HB       SER   4  11.325  17.075  17.075
   18    HG   SER   4           HG       SER   4  12.587  14.760  14.760
   19    H    ASN   5           H        ASN   5  14.052  16.431  16.431
   20    HA   ASN   5           HA       ASN   5  12.876  14.376  14.376
   21   1HB   ASN   5          1HB       ASN   5  15.673  15.813  15.813
   22   2HB   ASN   5          2HB       ASN   5  15.157  14.500  14.500
   23   1HD2  ASN   5          2HD2      ASN   5  16.916  12.434  12.434
   24   2HD2  ASN   5          1HD2      ASN   5  16.959  13.603  13.603
   25    HA   PRO   6           HA       PRO   6  12.198  17.787  17.787
   26   1HB   PRO   6          1HB       PRO   6  12.237  16.397  16.397
   27   2HB   PRO   6          2HB       PRO   6  10.906  16.346  16.346
   28   1HG   PRO   6          1HG       PRO   6  12.949  14.294  14.294
   29   2HG   PRO   6          2HG       PRO   6  11.258  14.055  14.055
   30   1HD   PRO   6          1HD       PRO   6  13.254  13.829  13.829
   31   2HD   PRO   6          2HD       PRO   6  11.608  14.236  14.236
   32    H    VAL   7           H        VAL   7  15.101  16.079  16.079
   33    HA   VAL   7           HA       VAL   7  16.306  17.787  17.787
   34    HB   VAL   7           HB       VAL   7  16.958  15.048  15.048
   35   1HG1  VAL   7          1HG2      VAL   7  18.532  16.285  16.285
   36   2HG1  VAL   7          2HG2      VAL   7  18.699  14.615  14.615
   37   3HG1  VAL   7          3HG2      VAL   7  19.193  15.960  15.960
   38   1HG2  VAL   7          1HG1      VAL   7  15.013  15.025  15.025
   39   2HG2  VAL   7          2HG1      VAL   7  16.366  14.057  14.057
   40   3HG2  VAL   7          3HG1      VAL   7  16.063  15.676  15.676
   41    H    CYS   8           H        CYS   8  17.562  16.755  16.755
   42    HA   CYS   8           HA       CYS   8  19.520  18.894  18.894
   43   1HB   CYS   8          1HB       CYS   8  20.710  18.063  18.063
   44   2HB   CYS   8          2HB       CYS   8  20.183  16.631  16.631
   45    H    HIS   9           H        HIS   9  16.703  18.728  18.728
   46    HA   HIS   9           HA       HIS   9  16.114  21.253  21.253
   47   1HB   HIS   9          1HB       HIS   9  14.624  19.560  19.560
   48   2HB   HIS   9          2HB       HIS   9  14.899  19.593  19.593
   49    HD1  HIS   9           HD1      HIS   9  12.170  19.386  19.386
   50    HD2  HIS   9           HD2      HIS   9  14.088  22.797  22.797
   51    HE1  HIS   9           HE1      HIS   9  10.657  21.358  21.358
   52    HE2  HIS   9           HE2      HIS   9  11.478  23.514  23.514
   53    H    LEU  10           H        LEU  10  16.467  20.363  20.363
   54    HA   LEU  10           HA       LEU  10  16.207  23.258  23.258
   55   1HB   LEU  10          1HB       LEU  10  15.773  20.698  20.698
   56   2HB   LEU  10          2HB       LEU  10  15.731  22.300  22.300
   57    HG   LEU  10           HG       LEU  10  13.860  21.281  21.281
   58   1HD1  LEU  10          1HD2      LEU  10  13.400  20.312  20.312
   59   2HD1  LEU  10          2HD2      LEU  10  13.255  21.943  21.943
   60   3HD1  LEU  10          3HD2      LEU  10  12.092  21.384  21.384
   61   1HD2  LEU  10          1HD1      LEU  10  13.811  24.049  24.049
   62   2HD2  LEU  10          2HD1      LEU  10  14.133  23.792  23.792
   63   3HD2  LEU  10          3HD1      LEU  10  12.537  23.430  23.430
   64    H    GLU  11           H        GLU  11  18.899  20.884  20.884
   65    HA   GLU  11           HA       GLU  11  20.867  22.751  22.751
   66   1HB   GLU  11          1HB       GLU  11  20.482  20.839  20.839
   67   2HB   GLU  11          2HB       GLU  11  21.935  21.634  21.634
   68   1HG   GLU  11          1HG       GLU  11  22.256  20.449  20.449
   69   2HG   GLU  11          2HG       GLU  11  20.713  19.633  19.633
   70    HE2  GLU  11           HE2      GLU  11  23.106  17.244  17.244
   71    H    HIS  12           H        HIS  12  18.898  22.991  22.991
   72    HA   HIS  12           HA       HIS  12  20.366  25.499  25.499
   73   1HB   HIS  12          1HB       HIS  12  19.390  23.298  23.298
   74   2HB   HIS  12          2HB       HIS  12  20.103  24.812  24.812
   75    HD1  HIS  12           HD1      HIS  12  20.950  21.320  21.320
   76    HD2  HIS  12           HD2      HIS  12  22.921  25.104  25.104
   77    HE1  HIS  12           HE1      HIS  12  23.498  20.961  20.961
   78    HE2  HIS  12           HE2      HIS  12  24.798  23.206  23.206
   79    H    SER  13           H        SER  13  18.343  25.629  25.629
   80    HA   SER  13           HA       SER  13  15.909  25.433  25.433
   81   1HB   SER  13          1HB       SER  13  15.108  26.478  26.478
   82   2HB   SER  13          2HB       SER  13  16.516  25.458  25.458
   83    HG   SER  13           HG       SER  13  16.656  27.563  27.563
   84    H    ASN  14           H        ASN  14  17.359  28.256  28.256
   85    HA   ASN  14           HA       ASN  14  15.350  29.999  29.999
   86   1HB   ASN  14          1HB       ASN  14  17.269  31.099  31.099
   87   2HB   ASN  14          2HB       ASN  14  18.427  30.117  30.117
   88   1HD2  ASN  14          2HD2      ASN  14  18.192  32.224  32.224
   89   2HD2  ASN  14          1HD2      ASN  14  18.688  30.575  30.575
   90    H    LEU  15           H        LEU  15  17.547  27.387  27.387
   91    HA   LEU  15           HA       LEU  15  16.807  27.999  27.999
   92   1HB   LEU  15          1HB       LEU  15  18.335  25.661  25.661
   93   2HB   LEU  15          2HB       LEU  15  18.393  26.174  26.174
   94    HG   LEU  15           HG       LEU  15  20.330  26.619  26.619
   95   1HD1  LEU  15          1HD2      LEU  15  19.819  28.049  28.049
   96   2HD1  LEU  15          2HD2      LEU  15  19.082  29.271  29.271
   97   3HD1  LEU  15          3HD2      LEU  15  20.828  28.970  28.970
   98   1HD2  LEU  15          1HD1      LEU  15  19.668  27.333  27.333
   99   2HD2  LEU  15          2HD1      LEU  15  20.941  28.329  28.329
  100   3HD2  LEU  15          3HD1      LEU  15  19.291  28.937  28.937
  101    H    CYS  16           H        CYS  16  15.599  25.875  25.875
  102    HA   CYS  16           HA       CYS  16  13.717  24.466  24.466
  103   1HB   CYS  16          1HB       CYS  16  14.829  23.538  23.538
  104   2HB   CYS  16          2HB       CYS  16  13.759  22.619  22.619
  105   1HN   NH2  17          1H        NH2  17  11.572  26.337  26.337
  106   2HN   NH2  17          2H        NH2  17  13.382  26.635  26.635

  Start of MODEL    4
    1   1H    GLY   1          3H        GLY   1  15.438  13.528  13.528
    2   2H    GLY   1          1H        GLY   1  14.811  13.347  13.347
    3   3H    GLY   1          2H        GLY   1  14.217  14.552  14.552
    4   1HA   GLY   1          1HA       GLY   1  15.688  15.490  15.490
    5   2HA   GLY   1          2HA       GLY   1  16.985  14.427  14.427
    6    H    CYS   2           H        CYS   2  17.952  17.439  17.439
    7    HA   CYS   2           HA       CYS   2  17.739  16.520  16.520
    8   1HB   CYS   2          1HB       CYS   2  19.835  17.233  17.233
    9   2HB   CYS   2          2HB       CYS   2  19.192  18.713  18.713
   10    H    CYS   3           H        CYS   3  16.653  19.656  19.656
   11    HA   CYS   3           HA       CYS   3  14.900  20.786  20.786
   12   1HB   CYS   3          1HB       CYS   3  14.874  20.648  20.648
   13   2HB   CYS   3          2HB       CYS   3  13.652  21.479  21.479
   14    H    SER   4           H        SER   4  14.140  18.118  18.118
   15    HA   SER   4           HA       SER   4  11.376  17.710  17.710
   16   1HB   SER   4          1HB       SER   4  11.392  16.022  16.022
   17   2HB   SER   4          2HB       SER   4  11.793  17.598  17.598
   18    HG   SER   4           HG       SER   4  13.280  16.362  16.362
   19    H    ASN   5           H        ASN   5  14.351  16.885  16.885
   20    HA   ASN   5           HA       ASN   5  13.279  14.509  14.509
   21   1HB   ASN   5          1HB       ASN   5  15.839  15.643  15.643
   22   2HB   ASN   5          2HB       ASN   5  15.718  15.760  15.760
   23   1HD2  ASN   5          1HD2      ASN   5  17.292  12.729  12.729
   24   2HD2  ASN   5          2HD2      ASN   5  16.770  13.982  13.982
   25    HA   PRO   6           HA       PRO   6  12.111  17.331  17.331
   26   1HB   PRO   6          1HB       PRO   6  12.706  15.819  15.819
   27   2HB   PRO   6          2HB       PRO   6  11.358  15.424  15.424
   28   1HG   PRO   6          1HG       PRO   6  14.207  14.219  14.219
   29   2HG   PRO   6          2HG       PRO   6  12.724  13.350  13.350
   30   1HD   PRO   6          1HD       PRO   6  13.686  13.735  13.735
   31   2HD   PRO   6          2HD       PRO   6  11.963  13.945  13.945
   32    H    VAL   7           H        VAL   7  15.073  15.735  15.735
   33    HA   VAL   7           HA       VAL   7  16.163  17.974  17.974
   34    HB   VAL   7           HB       VAL   7  17.084  15.114  15.114
   35   1HG1  VAL   7          1HG2      VAL   7  18.477  16.921  16.921
   36   2HG1  VAL   7          2HG2      VAL   7  18.791  15.188  15.188
   37   3HG1  VAL   7          3HG2      VAL   7  19.215  16.339  16.339
   38   1HG2  VAL   7          1HG1      VAL   7  15.092  15.246  15.246
   39   2HG2  VAL   7          2HG1      VAL   7  16.496  14.537  14.537
   40   3HG2  VAL   7          3HG1      VAL   7  16.043  16.224  16.224
   41    H    CYS   8           H        CYS   8  17.471  16.494  16.494
   42    HA   CYS   8           HA       CYS   8  19.446  18.554  18.554
   43   1HB   CYS   8          1HB       CYS   8  19.796  16.318  16.318
   44   2HB   CYS   8          2HB       CYS   8  18.456  16.672  16.672
   45    H    HIS   9           H        HIS   9  16.398  18.684  18.684
   46    HA   HIS   9           HA       HIS   9  16.314  21.166  21.166
   47   1HB   HIS   9          1HB       HIS   9  14.400  19.630  19.630
   48   2HB   HIS   9          2HB       HIS   9  14.521  19.702  19.702
   49    HD1  HIS   9           HD1      HIS   9  11.953  20.120  20.120
   50    HD2  HIS   9           HD2      HIS   9  14.140  22.947  22.947
   51    HE1  HIS   9           HE1      HIS   9  10.553  22.263  22.263
   52    HE2  HIS   9           HE2      HIS   9  11.653  23.964  23.964
   53    H    LEU  10           H        LEU  10  16.738  20.438  20.438
   54    HA   LEU  10           HA       LEU  10  16.171  23.354  23.354
   55   1HB   LEU  10          1HB       LEU  10  16.096  20.843  20.843
   56   2HB   LEU  10          2HB       LEU  10  15.908  22.460  22.460
   57    HG   LEU  10           HG       LEU  10  14.032  21.269  21.269
   58   1HD1  LEU  10          1HD1      LEU  10  13.852  20.005  20.005
   59   2HD1  LEU  10          2HD1      LEU  10  13.592  21.515  21.515
   60   3HD1  LEU  10          3HD1      LEU  10  12.394  20.969  20.969
   61   1HD2  LEU  10          1HD2      LEU  10  13.717  23.821  23.821
   62   2HD2  LEU  10          2HD2      LEU  10  14.019  23.816  23.816
   63   3HD2  LEU  10          3HD2      LEU  10  12.498  23.174  23.174
   64    H    GLU  11           H        GLU  11  18.903  21.059  21.059
   65    HA   GLU  11           HA       GLU  11  20.992  22.636  22.636
   66   1HB   GLU  11          1HB       GLU  11  20.136  20.298  20.298
   67   2HB   GLU  11          2HB       GLU  11  21.058  21.108  21.108
   68   1HG   GLU  11          1HG       GLU  11  21.626  20.358  20.358
   69   2HG   GLU  11          2HG       GLU  11  22.187  19.361  19.361
   70    HE2  GLU  11           HE2      GLU  11  24.707  21.898  21.898
   71    H    HIS  12           H        HIS  12  18.833  23.143  23.143
   72    HA   HIS  12           HA       HIS  12  20.351  25.575  25.575
   73   1HB   HIS  12          1HB       HIS  12  19.212  23.457  23.457
   74   2HB   HIS  12          2HB       HIS  12  19.957  24.955  24.955
   75    HD1  HIS  12           HD1      HIS  12  20.664  21.458  21.458
   76    HD2  HIS  12           HD2      HIS  12  22.804  25.108  25.108
   77    HE1  HIS  12           HE1      HIS  12  23.070  21.065  21.065
   78    HE2  HIS  12           HE2      HIS  12  24.575  23.149  23.149
   79    H    SER  13           H        SER  13  18.257  25.574  25.574
   80    HA   SER  13           HA       SER  13  15.839  25.519  25.519
   81   1HB   SER  13          1HB       SER  13  16.566  25.711  25.711
   82   2HB   SER  13          2HB       SER  13  16.469  27.457  27.457
   83    HG   SER  13           HG       SER  13  14.469  26.944  26.944
   84    H    ASN  14           H        ASN  14  17.368  28.309  28.309
   85    HA   ASN  14           HA       ASN  14  15.465  30.229  30.229
   86   1HB   ASN  14          1HB       ASN  14  18.516  30.175  30.175
   87   2HB   ASN  14          2HB       ASN  14  17.428  31.499  31.499
   88   1HD2  ASN  14          2HD2      ASN  14  19.174  31.992  31.992
   89   2HD2  ASN  14          1HD2      ASN  14  19.807  31.146  31.146
   90    H    LEU  15           H        LEU  15  17.481  27.598  27.598
   91    HA   LEU  15           HA       LEU  15  16.835  28.284  28.284
   92   1HB   LEU  15          1HB       LEU  15  18.654  26.053  26.053
   93   2HB   LEU  15          2HB       LEU  15  18.524  26.675  26.675
   94    HG   LEU  15           HG       LEU  15  19.177  29.022  29.022
   95   1HD1  LEU  15          1HD2      LEU  15  19.549  27.930  27.930
   96   2HD1  LEU  15          2HD2      LEU  15  20.900  26.999  26.999
   97   3HD1  LEU  15          3HD2      LEU  15  20.961  28.769  28.769
   98   1HD2  LEU  15          1HD1      LEU  15  20.316  28.106  28.106
   99   2HD2  LEU  15          2HD1      LEU  15  21.512  28.692  28.692
  100   3HD2  LEU  15          3HD1      LEU  15  21.219  26.935  26.935
  101    H    CYS  16           H        CYS  16  15.494  26.285  26.285
  102    HA   CYS  16           HA       CYS  16  13.918  24.662  24.662
  103   1HB   CYS  16          1HB       CYS  16  14.895  23.907  23.907
  104   2HB   CYS  16          2HB       CYS  16  13.942  22.890  22.890
  105   1HN   NH2  17          1H        NH2  17  11.516  26.453  26.453
  106   2HN   NH2  17          2H        NH2  17  13.319  26.738  26.738

  Start of MODEL    5
    1   1H    GLY   1          3H        GLY   1  15.364  13.403  13.403
    2   2H    GLY   1          1H        GLY   1  14.963  13.191  13.191
    3   3H    GLY   1          2H        GLY   1  14.191  14.377  14.377
    4   1HA   GLY   1          1HA       GLY   1  15.848  15.354  15.354
    5   2HA   GLY   1          2HA       GLY   1  17.093  14.354  14.354
    6    H    CYS   2           H        CYS   2  17.652  17.467  17.467
    7    HA   CYS   2           HA       CYS   2  17.826  16.545  16.545
    8   1HB   CYS   2          1HB       CYS   2  19.716  17.521  17.521
    9   2HB   CYS   2          2HB       CYS   2  18.840  18.911  18.911
   10    H    CYS   3           H        CYS   3  16.273  19.567  19.567
   11    HA   CYS   3           HA       CYS   3  14.634  20.513  20.513
   12   1HB   CYS   3          1HB       CYS   3  14.186  20.273  20.273
   13   2HB   CYS   3          2HB       CYS   3  13.093  21.095  21.095
   14    H    SER   4           H        SER   4  13.887  17.821  17.821
   15    HA   SER   4           HA       SER   4  11.267  17.167  17.167
   16   1HB   SER   4          1HB       SER   4  11.103  15.516  15.516
   17   2HB   SER   4          2HB       SER   4  11.421  17.115  17.115
   18    HG   SER   4           HG       SER   4  12.782  15.844  15.844
   19    H    ASN   5           H        ASN   5  14.376  16.423  16.423
   20    HA   ASN   5           HA       ASN   5  13.363  14.128  14.128
   21   1HB   ASN   5          1HB       ASN   5  16.122  15.583  15.583
   22   2HB   ASN   5          2HB       ASN   5  15.637  14.439  14.439
   23   1HD2  ASN   5          2HD2      ASN   5  17.397  12.149  12.149
   24   2HD2  ASN   5          1HD2      ASN   5  17.466  13.612  13.612
   25    HA   PRO   6           HA       PRO   6  12.288  17.810  17.810
   26   1HB   PRO   6          1HB       PRO   6  12.099  16.499  16.499
   27   2HB   PRO   6          2HB       PRO   6  10.819  16.634  16.634
   28   1HG   PRO   6          1HG       PRO   6  12.502  14.277  14.277
   29   2HG   PRO   6          2HG       PRO   6  10.832  14.329  14.329
   30   1HD   PRO   6          1HD       PRO   6  12.945  13.756  13.756
   31   2HD   PRO   6          2HD       PRO   6  11.407  14.435  14.435
   32    H    VAL   7           H        VAL   7  15.060  15.928  15.928
   33    HA   VAL   7           HA       VAL   7  16.276  17.884  17.884
   34    HB   VAL   7           HB       VAL   7  17.128  15.187  15.187
   35   1HG1  VAL   7          3HG1      VAL   7  19.221  16.381  16.381
   36   2HG1  VAL   7          1HG1      VAL   7  18.602  16.587  16.587
   37   3HG1  VAL   7          2HG1      VAL   7  18.968  14.958  14.958
   38   1HG2  VAL   7          1HG2      VAL   7  15.296  14.824  14.824
   39   2HG2  VAL   7          2HG2      VAL   7  16.804  14.074  14.074
   40   3HG2  VAL   7          3HG2      VAL   7  16.261  15.618  15.618
   41    H    CYS   8           H        CYS   8  17.500  16.540  16.540
   42    HA   CYS   8           HA       CYS   8  19.241  18.738  18.738
   43   1HB   CYS   8          1HB       CYS   8  19.705  16.550  16.550
   44   2HB   CYS   8          2HB       CYS   8  18.354  16.836  16.836
   45    H    HIS   9           H        HIS   9  16.214  18.808  18.808
   46    HA   HIS   9           HA       HIS   9  15.878  21.364  21.364
   47   1HB   HIS   9          1HB       HIS   9  14.231  19.530  19.530
   48   2HB   HIS   9          2HB       HIS   9  14.526  20.220  20.220
   49    HD1  HIS   9           HD1      HIS   9  11.746  20.133  20.133
   50    HD2  HIS   9           HD2      HIS   9  13.974  22.917  22.917
   51    HE1  HIS   9           HE1      HIS   9  10.344  22.294  22.294
   52    HE2  HIS   9           HE2      HIS   9  11.459  24.056  24.056
   53    H    LEU  10           H        LEU  10  16.417  20.498  20.498
   54    HA   LEU  10           HA       LEU  10  16.166  23.398  23.398
   55   1HB   LEU  10          1HB       LEU  10  16.031  20.818  20.818
   56   2HB   LEU  10          2HB       LEU  10  15.958  22.412  22.412
   57    HG   LEU  10           HG       LEU  10  13.932  21.363  21.363
   58   1HD1  LEU  10          1HD2      LEU  10  13.784  20.131  20.131
   59   2HD1  LEU  10          2HD2      LEU  10  13.631  21.663  21.663
   60   3HD1  LEU  10          3HD2      LEU  10  12.362  21.159  21.159
   61   1HD2  LEU  10          1HD1      LEU  10  13.845  23.949  23.949
   62   2HD2  LEU  10          2HD1      LEU  10  14.035  23.899  23.899
   63   3HD2  LEU  10          3HD1      LEU  10  12.524  23.352  23.352
   64    H    GLU  11           H        GLU  11  18.786  20.936  20.936
   65    HA   GLU  11           HA       GLU  11  20.986  22.488  22.488
   66   1HB   GLU  11          1HB       GLU  11  20.180  20.682  20.682
   67   2HB   GLU  11          2HB       GLU  11  21.768  21.165  21.165
   68   1HG   GLU  11          1HG       GLU  11  21.249  20.053  20.053
   69   2HG   GLU  11          2HG       GLU  11  20.033  19.222  19.222
   70    HE2  GLU  11           HE2      GLU  11  23.611  17.799  17.799
   71    H    HIS  12           H        HIS  12  18.959  23.015  23.015
   72    HA   HIS  12           HA       HIS  12  20.385  25.630  25.630
   73   1HB   HIS  12          1HB       HIS  12  19.796  23.564  23.564
   74   2HB   HIS  12          2HB       HIS  12  20.086  25.263  25.263
   75    HD1  HIS  12           HD1      HIS  12  21.987  22.116  22.116
   76    HD2  HIS  12           HD2      HIS  12  22.637  26.312  26.312
   77    HE1  HIS  12           HE1      HIS  12  24.520  22.618  22.618
   78    HE2  HIS  12           HE2      HIS  12  25.031  25.128  25.128
   79    H    SER  13           H        SER  13  18.324  25.522  25.522
   80    HA   SER  13           HA       SER  13  15.916  25.446  25.446
   81   1HB   SER  13          1HB       SER  13  16.665  25.719  25.719
   82   2HB   SER  13          2HB       SER  13  16.600  27.462  27.462
   83    HG   SER  13           HG       SER  13  14.622  26.889  26.889
   84    H    ASN  14           H        ASN  14  17.433  28.239  28.239
   85    HA   ASN  14           HA       ASN  14  15.535  30.150  30.150
   86   1HB   ASN  14          1HB       ASN  14  17.677  30.902  30.902
   87   2HB   ASN  14          2HB       ASN  14  18.633  30.021  30.021
   88   1HD2  ASN  14          2HD2      ASN  14  18.158  32.675  32.675
   89   2HD2  ASN  14          1HD2      ASN  14  18.587  30.907  30.907
   90    H    LEU  15           H        LEU  15  17.367  27.407  27.407
   91    HA   LEU  15           HA       LEU  15  16.678  28.125  28.125
   92   1HB   LEU  15          1HB       LEU  15  18.487  25.848  25.848
   93   2HB   LEU  15          2HB       LEU  15  18.210  26.404  26.404
   94    HG   LEU  15           HG       LEU  15  19.683  27.998  27.998
   95   1HD1  LEU  15          1HD1      LEU  15  20.963  26.030  26.030
   96   2HD1  LEU  15          2HD1      LEU  15  20.732  26.688  26.688
   97   3HD1  LEU  15          3HD1      LEU  15  21.698  27.589  27.589
   98   1HD2  LEU  15          1HD2      LEU  15  19.217  28.790  28.790
   99   2HD2  LEU  15          2HD2      LEU  15  18.518  29.601  29.601
  100   3HD2  LEU  15          3HD2      LEU  15  20.265  29.650  29.650
  101    H    CYS  16           H        CYS  16  15.385  26.161  26.161
  102    HA   CYS  16           HA       CYS  16  13.612  24.709  24.709
  103   1HB   CYS  16          1HB       CYS  16  14.721  23.789  23.789
  104   2HB   CYS  16          2HB       CYS  16  13.622  22.870  22.870
  105   1HN   NH2  17          1H        NH2  17  11.480  26.549  26.549
  106   2HN   NH2  17          2H        NH2  17  13.304  26.706  26.706

  Start of MODEL    6
    1   1H    GLY   1          2H        GLY   1  15.101  14.075  14.075
    2   2H    GLY   1          3H        GLY   1  13.832  15.176  15.176
    3   3H    GLY   1          1H        GLY   1  14.551  14.804  14.804
    4   1HA   GLY   1          1HA       GLY   1  16.644  15.832  15.832
    5   2HA   GLY   1          2HA       GLY   1  15.308  16.981  16.981
    6    H    CYS   2           H        CYS   2  17.228  17.934  17.934
    7    HA   CYS   2           HA       CYS   2  17.328  16.923  16.923
    8   1HB   CYS   2          1HB       CYS   2  19.269  17.860  17.860
    9   2HB   CYS   2          2HB       CYS   2  18.418  19.280  19.280
   10    H    CYS   3           H        CYS   3  15.808  19.952  19.952
   11    HA   CYS   3           HA       CYS   3  14.244  20.856  20.856
   12   1HB   CYS   3          1HB       CYS   3  14.636  22.079  22.079
   13   2HB   CYS   3          2HB       CYS   3  13.701  20.882  20.882
   14    H    SER   4           H        SER   4  13.538  18.017  18.017
   15    HA   SER   4           HA       SER   4  10.793  17.588  17.588
   16   1HB   SER   4          1HB       SER   4  10.928  15.693  15.693
   17   2HB   SER   4          2HB       SER   4  11.618  17.006  17.006
   18    HG   SER   4           HG       SER   4  13.114  15.057  15.057
   19    H    ASN   5           H        ASN   5  13.962  16.717  16.717
   20    HA   ASN   5           HA       ASN   5  12.892  14.522  14.522
   21   1HB   ASN   5          1HB       ASN   5  15.692  15.944  15.944
   22   2HB   ASN   5          2HB       ASN   5  15.264  14.591  14.591
   23   1HD2  ASN   5          2HD2      ASN   5  16.762  12.586  12.586
   24   2HD2  ASN   5          1HD2      ASN   5  17.036  13.716  13.716
   25    HA   PRO   6           HA       PRO   6  12.390  17.619  17.619
   26   1HB   PRO   6          1HB       PRO   6  12.583  16.027  16.027
   27   2HB   PRO   6          2HB       PRO   6  11.188  16.056  16.056
   28   1HG   PRO   6          1HG       PRO   6  13.268  14.005  14.005
   29   2HG   PRO   6          2HG       PRO   6  11.564  13.776  13.776
   30   1HD   PRO   6          1HD       PRO   6  13.446  13.752  13.752
   31   2HD   PRO   6          2HD       PRO   6  11.772  14.172  14.172
   32    H    VAL   7           H        VAL   7  15.332  15.947  15.947
   33    HA   VAL   7           HA       VAL   7  16.717  17.631  17.631
   34    HB   VAL   7           HB       VAL   7  17.397  15.090  15.090
   35   1HG1  VAL   7          1HG1      VAL   7  19.557  16.139  16.139
   36   2HG1  VAL   7          2HG1      VAL   7  18.997  16.154  16.154
   37   3HG1  VAL   7          3HG1      VAL   7  19.288  14.608  14.608
   38   1HG2  VAL   7          1HG2      VAL   7  15.610  14.597  14.597
   39   2HG2  VAL   7          2HG2      VAL   7  17.106  13.740  13.740
   40   3HG2  VAL   7          3HG2      VAL   7  16.638  15.205  15.205
   41    H    CYS   8           H        CYS   8  17.686  16.619  16.619
   42    HA   CYS   8           HA       CYS   8  19.498  18.819  18.819
   43   1HB   CYS   8          1HB       CYS   8  19.970  16.807  16.807
   44   2HB   CYS   8          2HB       CYS   8  18.469  17.053  17.053
   45    H    HIS   9           H        HIS   9  16.424  18.832  18.832
   46    HA   HIS   9           HA       HIS   9  16.040  21.472  21.472
   47   1HB   HIS   9          1HB       HIS   9  14.287  19.728  19.728
   48   2HB   HIS   9          2HB       HIS   9  14.539  19.668  19.668
   49    HD1  HIS   9           HD1      HIS   9  11.849  19.859  19.859
   50    HD2  HIS   9           HD2      HIS   9  13.902  22.910  22.910
   51    HE1  HIS   9           HE1      HIS   9  10.573  21.978  21.978
   52    HE2  HIS   9           HE2      HIS   9  11.304  23.665  23.665
   53    H    LEU  10           H        LEU  10  16.718  20.427  20.427
   54    HA   LEU  10           HA       LEU  10  16.006  23.226  23.226
   55   1HB   LEU  10          1HB       LEU  10  15.896  20.589  20.589
   56   2HB   LEU  10          2HB       LEU  10  15.743  22.157  22.157
   57    HG   LEU  10           HG       LEU  10  13.881  21.067  21.067
   58   1HD1  LEU  10          1HD1      LEU  10  13.649  19.910  19.910
   59   2HD1  LEU  10          2HD1      LEU  10  13.346  21.472  21.472
   60   3HD1  LEU  10          3HD1      LEU  10  12.196  20.833  20.833
   61   1HD2  LEU  10          1HD2      LEU  10  13.592  23.663  23.663
   62   2HD2  LEU  10          2HD2      LEU  10  13.887  23.643  23.643
   63   3HD2  LEU  10          3HD2      LEU  10  12.354  23.035  23.035
   64    H    GLU  11           H        GLU  11  18.702  20.866  20.866
   65    HA   GLU  11           HA       GLU  11  20.786  22.441  22.441
   66   1HB   GLU  11          1HB       GLU  11  20.036  20.569  20.569
   67   2HB   GLU  11          2HB       GLU  11  21.465  21.324  21.324
   68   1HG   GLU  11          1HG       GLU  11  22.246  20.392  20.392
   69   2HG   GLU  11          2HG       GLU  11  20.692  19.573  19.573
   70    HE2  GLU  11           HE2      GLU  11  22.616  16.958  16.958
   71    H    HIS  12           H        HIS  12  19.001  23.031  23.031
   72    HA   HIS  12           HA       HIS  12  20.477  25.537  25.537
   73   1HB   HIS  12          1HB       HIS  12  19.564  23.416  23.416
   74   2HB   HIS  12          2HB       HIS  12  20.513  24.720  24.720
   75    HD1  HIS  12           HD1      HIS  12  20.876  21.151  21.151
   76    HD2  HIS  12           HD2      HIS  12  23.163  24.601  24.601
   77    HE1  HIS  12           HE1      HIS  12  23.276  20.421  20.421
   78    HE2  HIS  12           HE2      HIS  12  24.800  22.470  22.470
   79    H    SER  13           H        SER  13  18.132  25.566  25.566
   80    HA   SER  13           HA       SER  13  15.872  25.484  25.484
   81   1HB   SER  13          1HB       SER  13  14.735  26.724  26.724
   82   2HB   SER  13          2HB       SER  13  16.011  25.676  25.676
   83    HG   SER  13           HG       SER  13  16.095  28.512  28.512
   84    H    ASN  14           H        ASN  14  17.724  27.985  27.985
   85    HA   ASN  14           HA       ASN  14  16.470  29.917  29.917
   86   1HB   ASN  14          1HB       ASN  14  18.681  30.384  30.384
   87   2HB   ASN  14          2HB       ASN  14  18.752  30.292  30.292
   88   1HD2  ASN  14          1HD2      ASN  14  21.409  28.123  28.123
   89   2HD2  ASN  14          2HD2      ASN  14  20.018  28.676  28.676
   90    H    LEU  15           H        LEU  15  17.907  26.626  26.626
   91    HA   LEU  15           HA       LEU  15  17.444  26.993  26.993
   92   1HB   LEU  15          1HB       LEU  15  19.670  26.615  26.615
   93   2HB   LEU  15          2HB       LEU  15  19.045  25.327  25.327
   94    HG   LEU  15           HG       LEU  15  18.495  24.107  24.107
   95   1HD1  LEU  15          1HD2      LEU  15  20.218  26.273  26.273
   96   2HD1  LEU  15          2HD2      LEU  15  19.835  24.737  24.737
   97   3HD1  LEU  15          3HD2      LEU  15  18.538  25.874  25.874
   98   1HD2  LEU  15          1HD1      LEU  15  21.520  24.740  24.740
   99   2HD2  LEU  15          2HD1      LEU  15  20.588  23.472  23.472
  100   3HD2  LEU  15          3HD1      LEU  15  20.947  23.302  23.302
  101    H    CYS  16           H        CYS  16  15.717  25.614  25.614
  102    HA   CYS  16           HA       CYS  16  13.901  24.193  24.193
  103   1HB   CYS  16          1HB       CYS  16  14.291  23.004  23.004
  104   2HB   CYS  16          2HB       CYS  16  13.513  24.383  24.383
  105   1HN   NH2  17          1H        NH2  17  12.396  27.730  27.730
  106   2HN   NH2  17          2H        NH2  17  13.772  26.998  26.998

  Start of MODEL    7
    1   1H    GLY   1          3H        GLY   1  15.295  24.827  24.827
    2   2H    GLY   1          1H        GLY   1  15.566  25.253  25.253
    3   3H    GLY   1          2H        GLY   1  14.146  24.462  24.462
    4   1HA   GLY   1          1HA       GLY   1  15.658  22.889  22.889
    5   2HA   GLY   1          2HA       GLY   1  16.912  23.301  23.301
    6    H    CYS   2           H        CYS   2  16.824  20.853  20.853
    7    HA   CYS   2           HA       CYS   2  14.997  19.697  19.697
    8   1HB   CYS   2          1HB       CYS   2  16.137  18.416  18.416
    9   2HB   CYS   2          2HB       CYS   2  17.428  19.169  19.169
   10    H    CYS   3           H        CYS   3  13.660  20.271  20.271
   11    HA   CYS   3           HA       CYS   3  12.642  21.191  21.191
   12   1HB   CYS   3          1HB       CYS   3  11.177  21.011  21.011
   13   2HB   CYS   3          2HB       CYS   3  10.295  21.142  21.142
   14    H    SER   4           H        SER   4  12.257  18.450  18.450
   15    HA   SER   4           HA       SER   4  10.171  16.982  16.982
   16   1HB   SER   4          1HB       SER   4  12.112  16.058  16.058
   17   2HB   SER   4          2HB       SER   4  10.676  15.192  15.192
   18    HG   SER   4           HG       SER   4   9.989  16.329  16.329
   19    H    ASN   5           H        ASN   5  13.581  17.005  17.005
   20    HA   ASN   5           HA       ASN   5  13.509  14.617  14.617
   21   1HB   ASN   5          1HB       ASN   5  15.586  16.928  16.928
   22   2HB   ASN   5          2HB       ASN   5  15.776  15.600  15.600
   23   1HD2  ASN   5          1HD2      ASN   5  17.207  13.570  13.570
   24   2HD2  ASN   5          2HD2      ASN   5  16.566  13.873  13.873
   25    HA   PRO   6           HA       PRO   6  12.514  17.299  17.299
   26   1HB   PRO   6          1HB       PRO   6  13.454  15.627  15.627
   27   2HB   PRO   6          2HB       PRO   6  11.937  15.311  15.311
   28   1HG   PRO   6          1HG       PRO   6  14.716  14.152  14.152
   29   2HG   PRO   6          2HG       PRO   6  13.289  13.257  13.257
   30   1HD   PRO   6          1HD       PRO   6  13.915  13.793  13.793
   31   2HD   PRO   6          2HD       PRO   6  12.222  13.946  13.946
   32    H    VAL   7           H        VAL   7  15.531  15.687  15.687
   33    HA   VAL   7           HA       VAL   7  17.024  17.649  17.649
   34    HB   VAL   7           HB       VAL   7  17.713  15.129  15.129
   35   1HG1  VAL   7          1HG1      VAL   7  19.659  16.478  16.478
   36   2HG1  VAL   7          2HG1      VAL   7  19.905  14.895  14.895
   37   3HG1  VAL   7          3HG1      VAL   7  19.867  16.371  16.371
   38   1HG2  VAL   7          1HG2      VAL   7  16.339  14.674  14.674
   39   2HG2  VAL   7          2HG2      VAL   7  17.926  13.887  13.887
   40   3HG2  VAL   7          3HG2      VAL   7  17.631  15.375  15.375
   41    H    CYS   8           H        CYS   8  17.543  16.742  16.742
   42    HA   CYS   8           HA       CYS   8  19.291  18.993  18.993
   43   1HB   CYS   8          1HB       CYS   8  19.906  18.359  18.359
   44   2HB   CYS   8          2HB       CYS   8  19.346  16.820  16.820
   45    H    HIS   9           H        HIS   9  16.155  19.012  19.012
   46    HA   HIS   9           HA       HIS   9  15.802  21.717  21.717
   47   1HB   HIS   9          1HB       HIS   9  13.998  20.013  20.013
   48   2HB   HIS   9          2HB       HIS   9  14.275  19.844  19.844
   49    HD1  HIS   9           HD1      HIS   9  11.523  19.983  19.983
   50    HD2  HIS   9           HD2      HIS   9  13.710  23.124  23.124
   51    HE1  HIS   9           HE1      HIS   9  10.240  22.154  22.154
   52    HE2  HIS   9           HE2      HIS   9  11.149  23.979  23.979
   53    H    LEU  10           H        LEU  10  16.565  20.437  20.437
   54    HA   LEU  10           HA       LEU  10  15.853  23.177  23.177
   55   1HB   LEU  10          1HB       LEU  10  15.789  20.470  20.470
   56   2HB   LEU  10          2HB       LEU  10  15.614  21.988  21.988
   57    HG   LEU  10           HG       LEU  10  13.776  21.078  21.078
   58   1HD1  LEU  10          1HD1      LEU  10  13.514  19.631  19.631
   59   2HD1  LEU  10          2HD1      LEU  10  13.219  21.053  21.053
   60   3HD1  LEU  10          3HD1      LEU  10  12.070  20.622  20.622
   61   1HD2  LEU  10          1HD2      LEU  10  13.431  23.469  23.469
   62   2HD2  LEU  10          2HD2      LEU  10  13.750  23.615  23.615
   63   3HD2  LEU  10          3HD2      LEU  10  12.221  22.930  22.930
   64    H    GLU  11           H        GLU  11  18.586  20.872  20.872
   65    HA   GLU  11           HA       GLU  11  20.610  22.632  22.632
   66   1HB   GLU  11          1HB       GLU  11  20.226  20.477  20.477
   67   2HB   GLU  11          2HB       GLU  11  21.686  21.315  21.315
   68   1HG   GLU  11          1HG       GLU  11  20.504  19.866  19.866
   69   2HG   GLU  11          2HG       GLU  11  21.522  19.037  19.037
   70    HE2  GLU  11           HE2      GLU  11  23.298  20.695  20.695
   71    H    HIS  12           H        HIS  12  18.881  22.984  22.984
   72    HA   HIS  12           HA       HIS  12  20.503  25.381  25.381
   73   1HB   HIS  12          1HB       HIS  12  20.193  22.896  22.896
   74   2HB   HIS  12          2HB       HIS  12  20.761  24.433  24.433
   75    HD1  HIS  12           HD1      HIS  12  22.161  21.270  21.270
   76    HD2  HIS  12           HD2      HIS  12  23.080  25.414  25.414
   77    HE1  HIS  12           HE1      HIS  12  24.546  21.507  21.507
   78    HE2  HIS  12           HE2      HIS  12  25.247  23.986  23.986
   79    H    SER  13           H        SER  13  18.213  25.528  25.528
   80    HA   SER  13           HA       SER  13  15.984  25.406  25.406
   81   1HB   SER  13          1HB       SER  13  14.918  26.716  26.716
   82   2HB   SER  13          2HB       SER  13  16.189  25.669  25.669
   83    HG   SER  13           HG       SER  13  16.292  27.883  27.883
   84    H    ASN  14           H        ASN  14  17.682  28.043  28.043
   85    HA   ASN  14           HA       ASN  14  15.996  29.614  29.614
   86   1HB   ASN  14          1HB       ASN  14  19.077  29.480  29.480
   87   2HB   ASN  14          2HB       ASN  14  18.117  30.598  30.598
   88   1HD2  ASN  14          1HD2      ASN  14  19.181  32.098  32.098
   89   2HD2  ASN  14          2HD2      ASN  14  20.070  30.813  30.813
   90    H    LEU  15           H        LEU  15  18.075  26.786  26.786
   91    HA   LEU  15           HA       LEU  15  17.817  26.655  26.655
   92   1HB   LEU  15          1HB       LEU  15  19.441  24.839  24.839
   93   2HB   LEU  15          2HB       LEU  15  19.501  24.930  24.930
   94    HG   LEU  15           HG       LEU  15  19.973  27.590  27.590
   95   1HD1  LEU  15          1HD2      LEU  15  20.114  27.186  27.186
   96   2HD1  LEU  15          2HD2      LEU  15  21.652  26.334  26.334
   97   3HD1  LEU  15          3HD2      LEU  15  21.466  28.028  28.028
   98   1HD2  LEU  15          1HD1      LEU  15  21.352  26.151  26.151
   99   2HD2  LEU  15          2HD1      LEU  15  22.393  27.132  27.132
  100   3HD2  LEU  15          3HD1      LEU  15  22.152  25.399  25.399
  101    H    CYS  16           H        CYS  16  16.215  25.198  25.198
  102    HA   CYS  16           HA       CYS  16  14.354  23.684  23.684
  103   1HB   CYS  16          1HB       CYS  16  13.919  22.928  22.928
  104   2HB   CYS  16          2HB       CYS  16  13.846  24.608  24.608
  105   1HN   NH2  17          1H        NH2  17  13.331  27.672  27.672
  106   2HN   NH2  17          2H        NH2  17  14.065  26.808  26.808

  Start of MODEL    8
    1   1H    GLY   1          2H        GLY   1  15.514  12.330  12.330
    2   2H    GLY   1          3H        GLY   1  14.160  13.325  13.325
    3   3H    GLY   1          1H        GLY   1  14.892  12.806  12.806
    4   1HA   GLY   1          1HA       GLY   1  16.900  14.089  14.089
    5   2HA   GLY   1          2HA       GLY   1  15.485  15.135  15.135
    6    H    CYS   2           H        CYS   2  17.770  15.985  15.985
    7    HA   CYS   2           HA       CYS   2  17.823  15.346  15.346
    8   1HB   CYS   2          1HB       CYS   2  19.820  15.480  15.480
    9   2HB   CYS   2          2HB       CYS   2  19.337  17.030  17.030
   10    H    CYS   3           H        CYS   3  17.037  18.582  18.582
   11    HA   CYS   3           HA       CYS   3  15.467  19.806  19.806
   12   1HB   CYS   3          1HB       CYS   3  16.043  20.132  20.132
   13   2HB   CYS   3          2HB       CYS   3  14.777  20.947  20.947
   14    H    SER   4           H        SER   4  14.830  17.182  17.182
   15    HA   SER   4           HA       SER   4  11.864  17.140  17.140
   16   1HB   SER   4          1HB       SER   4  12.092  16.532  16.532
   17   2HB   SER   4          2HB       SER   4  13.537  15.611  15.611
   18    HG   SER   4           HG       SER   4  11.077  14.794  14.794
   19    H    ASN   5           H        ASN   5  14.730  15.832  15.832
   20    HA   ASN   5           HA       ASN   5  13.009  14.339  14.339
   21   1HB   ASN   5          1HB       ASN   5  16.026  15.166  15.166
   22   2HB   ASN   5          2HB       ASN   5  15.262  14.397  14.397
   23   1HD2  ASN   5          2HD2      ASN   5  16.559  11.520  11.520
   24   2HD2  ASN   5          1HD2      ASN   5  16.775  13.053  13.053
   25    HA   PRO   6           HA       PRO   6  12.543  18.273  18.273
   26   1HB   PRO   6          1HB       PRO   6  12.289  17.264  17.264
   27   2HB   PRO   6          2HB       PRO   6  11.000  17.378  17.378
   28   1HG   PRO   6          1HG       PRO   6  12.454  14.982  14.982
   29   2HG   PRO   6          2HG       PRO   6  10.806  15.099  15.099
   30   1HD   PRO   6          1HD       PRO   6  12.903  14.170  14.170
   31   2HD   PRO   6          2HD       PRO   6  11.442  14.834  14.834
   32    H    VAL   7           H        VAL   7  14.934  16.119  16.119
   33    HA   VAL   7           HA       VAL   7  16.393  18.231  18.231
   34    HB   VAL   7           HB       VAL   7  16.901  15.227  15.227
   35   1HG1  VAL   7          1HG2      VAL   7  19.160  16.214  16.214
   36   2HG1  VAL   7          2HG2      VAL   7  18.453  16.795  16.795
   37   3HG1  VAL   7          3HG2      VAL   7  18.584  15.052  15.052
   38   1HG2  VAL   7          1HG1      VAL   7  14.920  15.564  15.564
   39   2HG2  VAL   7          2HG1      VAL   7  16.225  14.716  14.716
   40   3HG2  VAL   7          3HG1      VAL   7  15.944  16.442  16.442
   41    H    CYS   8           H        CYS   8  17.159  16.662  16.662
   42    HA   CYS   8           HA       CYS   8  17.492  17.708  17.708
   43   1HB   CYS   8          1HB       CYS   8  20.468  17.938  17.938
   44   2HB   CYS   8          2HB       CYS   8  19.569  16.571  16.571
   45    H    HIS   9           H        HIS   9  16.006  18.837  18.837
   46    HA   HIS   9           HA       HIS   9  16.027  21.422  21.422
   47   1HB   HIS   9          1HB       HIS   9  14.187  19.622  19.622
   48   2HB   HIS   9          2HB       HIS   9  14.266  20.336  20.336
   49    HD1  HIS   9           HD1      HIS   9  11.954  20.579  20.579
   50    HD2  HIS   9           HD2      HIS   9  13.914  22.898  22.898
   51    HE1  HIS   9           HE1      HIS   9  10.845  22.914  22.914
   52    HE2  HIS   9           HE2      HIS   9  11.596  24.338  24.338
   53    H    LEU  10           H        LEU  10  16.128  20.478  20.478
   54    HA   LEU  10           HA       LEU  10  16.224  23.291  23.291
   55   1HB   LEU  10          1HB       LEU  10  15.550  20.715  20.715
   56   2HB   LEU  10          2HB       LEU  10  15.625  22.301  22.301
   57    HG   LEU  10           HG       LEU  10  13.613  21.483  21.483
   58   1HD1  LEU  10          1HD2      LEU  10  13.181  21.885  21.885
   59   2HD1  LEU  10          2HD2      LEU  10  11.909  21.579  21.579
   60   3HD1  LEU  10          3HD2      LEU  10  13.138  20.340  20.340
   61   1HD2  LEU  10          1HD1      LEU  10  13.834  24.128  24.128
   62   2HD2  LEU  10          2HD1      LEU  10  14.034  23.922  23.922
   63   3HD2  LEU  10          3HD1      LEU  10  12.448  23.672  23.672
   64    H    GLU  11           H        GLU  11  18.511  20.743  20.743
   65    HA   GLU  11           HA       GLU  11  20.630  22.007  22.007
   66   1HB   GLU  11          1HB       GLU  11  20.102  20.092  20.092
   67   2HB   GLU  11          2HB       GLU  11  21.315  21.050  21.050
   68   1HG   GLU  11          1HG       GLU  11  20.944  19.574  19.574
   69   2HG   GLU  11          2HG       GLU  11  21.853  18.865  18.865
   70    HE2  GLU  11           HE2      GLU  11  23.835  20.878  20.878
   71    H    HIS  12           H        HIS  12  18.865  23.079  23.079
   72    HA   HIS  12           HA       HIS  12  20.170  25.744  25.744
   73   1HB   HIS  12          1HB       HIS  12  20.830  25.893  25.893
   74   2HB   HIS  12          2HB       HIS  12  21.556  24.631  24.631
   75    HD1  HIS  12           HD1      HIS  12  22.610  23.123  23.123
   76    HD2  HIS  12           HD2      HIS  12  18.550  23.512  23.512
   77    HE1  HIS  12           HE1      HIS  12  21.501  20.859  20.859
   78    HE2  HIS  12           HE2      HIS  12  18.947  21.045  21.045
   79    H    SER  13           H        SER  13  18.082  25.458  25.458
   80    HA   SER  13           HA       SER  13  15.801  25.510  25.510
   81   1HB   SER  13          1HB       SER  13  16.258  25.440  25.440
   82   2HB   SER  13          2HB       SER  13  16.375  27.194  27.194
   83    HG   SER  13           HG       SER  13  14.303  27.039  27.039
   84    H    ASN  14           H        ASN  14  17.304  28.297  28.297
   85    HA   ASN  14           HA       ASN  14  15.519  30.344  30.344
   86   1HB   ASN  14          1HB       ASN  14  18.599  30.315  30.315
   87   2HB   ASN  14          2HB       ASN  14  17.565  31.654  31.654
   88   1HD2  ASN  14          2HD2      ASN  14  18.877  32.254  32.254
   89   2HD2  ASN  14          1HD2      ASN  14  19.690  31.583  31.583
   90    H    LEU  15           H        LEU  15  17.716  27.853  27.853
   91    HA   LEU  15           HA       LEU  15  17.308  28.751  28.751
   92   1HB   LEU  15          1HB       LEU  15  19.167  26.614  26.614
   93   2HB   LEU  15          2HB       LEU  15  19.115  27.121  27.121
   94    HG   LEU  15           HG       LEU  15  19.368  29.595  29.595
   95   1HD1  LEU  15          1HD2      LEU  15  19.900  28.429  28.429
   96   2HD1  LEU  15          2HD2      LEU  15  21.443  27.898  27.898
   97   3HD1  LEU  15          3HD2      LEU  15  21.074  29.613  29.613
   98   1HD2  LEU  15          1HD1      LEU  15  20.590  28.889  28.889
   99   2HD2  LEU  15          2HD1      LEU  15  21.697  29.628  29.628
  100   3HD2  LEU  15          3HD1      LEU  15  21.670  27.849  27.849
  101    H    CYS  16           H        CYS  16  15.787  26.528  26.528
  102    HA   CYS  16           HA       CYS  16  14.308  25.329  25.329
  103   1HB   CYS  16          1HB       CYS  16  15.396  23.966  23.966
  104   2HB   CYS  16          2HB       CYS  16  14.203  23.225  23.225
  105   1HN   NH2  17          1H        NH2  17  11.781  26.742  26.742
  106   2HN   NH2  17          2H        NH2  17  13.561  27.023  27.023

  Start of MODEL    9
    1   1H    GLY   1          3H        GLY   1  13.778  17.454  17.454
    2   2H    GLY   1          1H        GLY   1  14.460  17.190  17.190
    3   3H    GLY   1          2H        GLY   1  14.557  16.000  16.000
    4   1HA   GLY   1          1HA       GLY   1  16.706  17.160  17.160
    5   2HA   GLY   1          2HA       GLY   1  15.885  18.685  18.685
    6    H    CYS   2           H        CYS   2  17.863  18.469  18.469
    7    HA   CYS   2           HA       CYS   2  17.364  16.850  16.850
    8   1HB   CYS   2          1HB       CYS   2  19.599  17.573  17.573
    9   2HB   CYS   2          2HB       CYS   2  19.096  19.273  19.273
   10    H    CYS   3           H        CYS   3  16.530  20.353  20.353
   11    HA   CYS   3           HA       CYS   3  14.839  21.061  21.061
   12   1HB   CYS   3          1HB       CYS   3  14.936  21.357  21.357
   13   2HB   CYS   3          2HB       CYS   3  13.940  22.263  22.263
   14    H    SER   4           H        SER   4  14.301  18.380  18.380
   15    HA   SER   4           HA       SER   4  11.365  18.182  18.182
   16   1HB   SER   4          1HB       SER   4  13.091  16.258  16.258
   17   2HB   SER   4          2HB       SER   4  11.370  16.320  16.320
   18    HG   SER   4           HG       SER   4  11.461  18.347  18.347
   19    H    ASN   5           H        ASN   5  14.271  17.096  17.096
   20    HA   ASN   5           HA       ASN   5  12.969  14.872  14.872
   21   1HB   ASN   5          1HB       ASN   5  15.578  15.875  15.875
   22   2HB   ASN   5          2HB       ASN   5  15.518  15.883  15.883
   23   1HD2  ASN   5          1HD2      ASN   5  16.865  12.822  12.822
   24   2HD2  ASN   5          2HD2      ASN   5  16.570  14.001  14.001
   25    HA   PRO   6           HA       PRO   6  12.147  17.406  17.406
   26   1HB   PRO   6          1HB       PRO   6  12.851  15.717  15.717
   27   2HB   PRO   6          2HB       PRO   6  11.413  15.445  15.445
   28   1HG   PRO   6          1HG       PRO   6  14.194  14.179  14.179
   29   2HG   PRO   6          2HG       PRO   6  12.703  13.341  13.341
   30   1HD   PRO   6          1HD       PRO   6  13.463  13.896  13.896
   31   2HD   PRO   6          2HD       PRO   6  11.777  14.144  14.144
   32    H    VAL   7           H        VAL   7  15.090  15.693  15.693
   33    HA   VAL   7           HA       VAL   7  16.248  17.751  17.751
   34    HB   VAL   7           HB       VAL   7  17.072  14.926  14.926
   35   1HG1  VAL   7          1HG2      VAL   7  18.533  16.500  16.500
   36   2HG1  VAL   7          2HG2      VAL   7  18.779  14.781  14.781
   37   3HG1  VAL   7          3HG2      VAL   7  19.247  16.014  16.014
   38   1HG2  VAL   7          1HG1      VAL   7  15.088  15.000  15.000
   39   2HG2  VAL   7          2HG1      VAL   7  16.466  14.183  14.183
   40   3HG2  VAL   7          3HG1      VAL   7  16.071  15.852  15.852
   41    H    CYS   8           H        CYS   8  17.529  16.484  16.484
   42    HA   CYS   8           HA       CYS   8  19.543  18.563  18.563
   43   1HB   CYS   8          1HB       CYS   8  20.672  17.625  17.625
   44   2HB   CYS   8          2HB       CYS   8  19.821  16.197  16.197
   45    H    HIS   9           H        HIS   9  16.544  18.625  18.625
   46    HA   HIS   9           HA       HIS   9  16.472  21.160  21.160
   47   1HB   HIS   9          1HB       HIS   9  14.536  19.651  19.651
   48   2HB   HIS   9          2HB       HIS   9  14.624  19.629  19.629
   49    HD1  HIS   9           HD1      HIS   9  12.279  20.746  20.746
   50    HD2  HIS   9           HD2      HIS   9  14.311  22.656  22.656
   51    HE1  HIS   9           HE1      HIS   9  11.435  23.142  23.142
   52    HE2  HIS   9           HE2      HIS   9  12.068  24.070  24.070
   53    H    LEU  10           H        LEU  10  16.792  20.326  20.326
   54    HA   LEU  10           HA       LEU  10  16.075  23.150  23.150
   55   1HB   LEU  10          1HB       LEU  10  16.351  20.578  20.578
   56   2HB   LEU  10          2HB       LEU  10  16.162  22.134  22.134
   57    HG   LEU  10           HG       LEU  10  14.108  21.029  21.029
   58   1HD1  LEU  10          1HD2      LEU  10  14.248  19.563  19.563
   59   2HD1  LEU  10          2HD2      LEU  10  14.032  20.969  20.969
   60   3HD1  LEU  10          3HD2      LEU  10  12.723  20.461  20.461
   61   1HD2  LEU  10          1HD1      LEU  10  13.901  23.380  23.380
   62   2HD2  LEU  10          2HD1      LEU  10  13.974  23.546  23.546
   63   3HD2  LEU  10          3HD1      LEU  10  12.577  22.767  22.767
   64    H    GLU  11           H        GLU  11  18.982  21.086  21.086
   65    HA   GLU  11           HA       GLU  11  20.989  22.752  22.752
   66   1HB   GLU  11          1HB       GLU  11  20.244  20.358  20.358
   67   2HB   GLU  11          2HB       GLU  11  21.171  21.189  21.189
   68   1HG   GLU  11          1HG       GLU  11  21.703  20.512  20.512
   69   2HG   GLU  11          2HG       GLU  11  22.312  19.494  19.494
   70    HE2  GLU  11           HE2      GLU  11  24.818  22.073  22.073
   71    H    HIS  12           H        HIS  12  18.841  23.129  23.129
   72    HA   HIS  12           HA       HIS  12  20.266  25.652  25.652
   73   1HB   HIS  12          1HB       HIS  12  19.349  23.509  23.509
   74   2HB   HIS  12          2HB       HIS  12  20.071  25.045  25.045
   75    HD1  HIS  12           HD1      HIS  12  20.829  21.530  21.530
   76    HD2  HIS  12           HD2      HIS  12  22.856  25.248  25.248
   77    HE1  HIS  12           HE1      HIS  12  23.193  21.175  21.175
   78    HE2  HIS  12           HE2      HIS  12  24.657  23.315  23.315
   79    H    SER  13           H        SER  13  18.030  25.452  25.452
   80    HA   SER  13           HA       SER  13  15.700  25.314  25.314
   81   1HB   SER  13          1HB       SER  13  16.186  25.394  25.394
   82   2HB   SER  13          2HB       SER  13  15.949  27.130  27.130
   83    HG   SER  13           HG       SER  13  13.942  26.453  26.453
   84    H    ASN  14           H        ASN  14  17.186  28.126  28.126
   85    HA   ASN  14           HA       ASN  14  15.222  29.984  29.984
   86   1HB   ASN  14          1HB       ASN  14  17.154  30.804  30.804
   87   2HB   ASN  14          2HB       ASN  14  18.273  30.439  30.439
   88   1HD2  ASN  14          2HD2      ASN  14  17.172  33.448  33.448
   89   2HD2  ASN  14          1HD2      ASN  14  17.957  31.818  31.818
   90    H    LEU  15           H        LEU  15  17.459  27.540  27.540
   91    HA   LEU  15           HA       LEU  15  16.970  28.389  28.389
   92   1HB   LEU  15          1HB       LEU  15  18.760  26.122  26.122
   93   2HB   LEU  15          2HB       LEU  15  18.558  26.636  26.636
   94    HG   LEU  15           HG       LEU  15  19.848  28.381  28.381
   95   1HD1  LEU  15          1HD1      LEU  15  21.252  26.381  26.381
   96   2HD1  LEU  15          2HD1      LEU  15  21.143  26.801  26.801
   97   3HD1  LEU  15          3HD1      LEU  15  21.989  27.881  27.881
   98   1HD2  LEU  15          1HD2      LEU  15  19.640  28.855  28.855
   99   2HD2  LEU  15          2HD2      LEU  15  18.824  29.802  29.802
  100   3HD2  LEU  15          3HD2      LEU  15  20.587  29.841  29.841
  101    H    CYS  16           H        CYS  16  15.548  26.241  26.241
  102    HA   CYS  16           HA       CYS  16  14.267  24.522  24.522
  103   1HB   CYS  16          1HB       CYS  16  15.050  24.770  24.770
  104   2HB   CYS  16          2HB       CYS  16  14.187  23.538  23.538
  105   1HN   NH2  17          1H        NH2  17  11.364  26.516  26.516
  106   2HN   NH2  17          2H        NH2  17  13.117  26.763  26.763

  Start of MODEL   10
    1   1H    GLY   1          2H        GLY   1  13.609  13.821  13.821
    2   2H    GLY   1          3H        GLY   1  14.766  12.717  12.717
    3   3H    GLY   1          1H        GLY   1  14.174  12.637  12.637
    4   1HA   GLY   1          1HA       GLY   1  15.167  14.765  14.765
    5   2HA   GLY   1          2HA       GLY   1  16.397  13.615  13.615
    6    H    CYS   2           H        CYS   2  17.482  16.490  16.490
    7    HA   CYS   2           HA       CYS   2  17.423  15.555  15.555
    8   1HB   CYS   2          1HB       CYS   2  19.488  16.286  16.286
    9   2HB   CYS   2          2HB       CYS   2  18.802  17.823  17.823
   10    H    CYS   3           H        CYS   3  16.269  18.871  18.871
   11    HA   CYS   3           HA       CYS   3  14.975  19.778  19.778
   12   1HB   CYS   3          1HB       CYS   3  15.096  20.369  20.369
   13   2HB   CYS   3          2HB       CYS   3  13.973  21.134  21.134
   14    H    SER   4           H        SER   4  13.821  17.372  17.372
   15    HA   SER   4           HA       SER   4  11.119  17.198  17.198
   16   1HB   SER   4          1HB       SER   4  10.925  15.399  15.399
   17   2HB   SER   4          2HB       SER   4  11.240  16.960  16.960
   18    HG   SER   4           HG       SER   4  12.656  15.783  15.783
   19    H    ASN   5           H        ASN   5  14.126  16.304  16.304
   20    HA   ASN   5           HA       ASN   5  12.847  14.208  14.208
   21   1HB   ASN   5          1HB       ASN   5  15.664  15.624  15.624
   22   2HB   ASN   5          2HB       ASN   5  15.103  14.503  14.503
   23   1HD2  ASN   5          2HD2      ASN   5  16.997  12.194  12.194
   24   2HD2  ASN   5          1HD2      ASN   5  16.926  13.620  13.620
   25    HA   PRO   6           HA       PRO   6  12.094  17.664  17.664
   26   1HB   PRO   6          1HB       PRO   6  12.483  16.408  16.408
   27   2HB   PRO   6          2HB       PRO   6  11.119  16.003  16.003
   28   1HG   PRO   6          1HG       PRO   6  13.849  14.562  14.562
   29   2HG   PRO   6          2HG       PRO   6  12.323  13.818  13.818
   30   1HD   PRO   6          1HD       PRO   6  13.461  13.753  13.753
   31   2HD   PRO   6          2HD       PRO   6  11.756  14.056  14.056
   32    H    VAL   7           H        VAL   7  14.924  15.867  15.867
   33    HA   VAL   7           HA       VAL   7  16.172  18.010  18.010
   34    HB   VAL   7           HB       VAL   7  16.913  15.105  15.105
   35   1HG1  VAL   7          1HG2      VAL   7  18.553  16.771  16.771
   36   2HG1  VAL   7          2HG2      VAL   7  18.711  15.021  15.021
   37   3HG1  VAL   7          3HG2      VAL   7  19.153  16.144  16.144
   38   1HG2  VAL   7          1HG1      VAL   7  15.015  15.435  15.435
   39   2HG2  VAL   7          2HG1      VAL   7  16.386  14.528  14.528
   40   3HG2  VAL   7          3HG1      VAL   7  16.165  16.240  16.240
   41    H    CYS   8           H        CYS   8  17.375  16.592  16.592
   42    HA   CYS   8           HA       CYS   8  19.470  18.622  18.622
   43   1HB   CYS   8          1HB       CYS   8  20.640  17.616  17.616
   44   2HB   CYS   8          2HB       CYS   8  19.952  16.254  16.254
   45    H    HIS   9           H        HIS   9  16.613  18.615  18.615
   46    HA   HIS   9           HA       HIS   9  16.271  21.075  21.075
   47   1HB   HIS   9          1HB       HIS   9  14.649  19.276  19.276
   48   2HB   HIS   9          2HB       HIS   9  14.896  19.917  19.917
   49    HD1  HIS   9           HD1      HIS   9  12.130  19.621  19.621
   50    HD2  HIS   9           HD2      HIS   9  14.281  22.747  22.747
   51    HE1  HIS   9           HE1      HIS   9  10.736  21.735  21.735
   52    HE2  HIS   9           HE2      HIS   9  11.703  23.707  23.707
   53    H    LEU  10           H        LEU  10  16.593  20.389  20.389
   54    HA   LEU  10           HA       LEU  10  16.278  23.327  23.327
   55   1HB   LEU  10          1HB       LEU  10  15.876  20.820  20.820
   56   2HB   LEU  10          2HB       LEU  10  15.790  22.441  22.441
   57    HG   LEU  10           HG       LEU  10  13.954  21.370  21.370
   58   1HD1  LEU  10          1HD1      LEU  10  13.528  20.283  20.283
   59   2HD1  LEU  10          2HD1      LEU  10  13.350  21.873  21.873
   60   3HD1  LEU  10          3HD1      LEU  10  12.187  21.348  21.348
   61   1HD2  LEU  10          1HD2      LEU  10  13.817  24.068  24.068
   62   2HD2  LEU  10          2HD2      LEU  10  14.162  23.892  23.892
   63   3HD2  LEU  10          3HD2      LEU  10  12.570  23.456  23.456
   64    H    GLU  11           H        GLU  11  18.933  20.923  20.923
   65    HA   GLU  11           HA       GLU  11  20.982  22.550  22.550
   66   1HB   GLU  11          1HB       GLU  11  20.163  20.573  20.573
   67   2HB   GLU  11          2HB       GLU  11  21.427  21.465  21.465
   68   1HG   GLU  11          1HG       GLU  11  22.603  20.766  20.766
   69   2HG   GLU  11          2HG       GLU  11  21.193  19.725  19.725
   70    HE2  GLU  11           HE2      GLU  11  23.556  17.508  17.508
   71    H    HIS  12           H        HIS  12  18.949  23.151  23.151
   72    HA   HIS  12           HA       HIS  12  20.338  25.733  25.733
   73   1HB   HIS  12          1HB       HIS  12  19.070  23.909  23.909
   74   2HB   HIS  12          2HB       HIS  12  20.015  25.190  25.190
   75    HD1  HIS  12           HD1      HIS  12  20.431  21.483  21.483
   76    HD2  HIS  12           HD2      HIS  12  22.868  24.979  24.979
   77    HE1  HIS  12           HE1      HIS  12  22.890  20.787  20.787
   78    HE2  HIS  12           HE2      HIS  12  24.487  22.836  22.836
   79    H    SER  13           H        SER  13  18.202  25.605  25.605
   80    HA   SER  13           HA       SER  13  15.806  25.516  25.516
   81   1HB   SER  13          1HB       SER  13  14.822  26.491  26.491
   82   2HB   SER  13          2HB       SER  13  16.190  25.446  25.446
   83    HG   SER  13           HG       SER  13  16.050  28.266  28.266
   84    H    ASN  14           H        ASN  14  17.469  28.208  28.208
   85    HA   ASN  14           HA       ASN  14  15.652  30.205  30.205
   86   1HB   ASN  14          1HB       ASN  14  17.858  30.795  30.795
   87   2HB   ASN  14          2HB       ASN  14  18.744  30.273  30.273
   88   1HD2  ASN  14          2HD2      ASN  14  17.766  33.363  33.363
   89   2HD2  ASN  14          1HD2      ASN  14  18.212  31.626  31.626
   90    H    LEU  15           H        LEU  15  17.494  27.415  27.415
   91    HA   LEU  15           HA       LEU  15  16.936  28.332  28.332
   92   1HB   LEU  15          1HB       LEU  15  18.214  25.707  25.707
   93   2HB   LEU  15          2HB       LEU  15  18.013  26.276  26.276
   94    HG   LEU  15           HG       LEU  15  19.853  27.570  27.570
   95   1HD1  LEU  15          1HD1      LEU  15  20.644  25.332  25.332
   96   2HD1  LEU  15          2HD1      LEU  15  20.522  26.023  26.023
   97   3HD1  LEU  15          3HD1      LEU  15  21.688  26.693  26.693
   98   1HD2  LEU  15          1HD2      LEU  15  19.439  28.358  28.358
   99   2HD2  LEU  15          2HD2      LEU  15  19.030  29.350  29.350
  100   3HD2  LEU  15          3HD2      LEU  15  20.722  28.987  28.987
  101    H    CYS  16           H        CYS  16  15.438  26.334  26.334
  102    HA   CYS  16           HA       CYS  16  13.387  25.317  25.317
  103   1HB   CYS  16          1HB       CYS  16  14.926  23.857  23.857
  104   2HB   CYS  16          2HB       CYS  16  13.649  23.138  23.138
  105   1HN   NH2  17          1H        NH2  17  11.463  26.609  26.609
  106   2HN   NH2  17          2H        NH2  17  13.230  27.059  27.059

  Start of MODEL   11
    1   1H    GLY   1          2H        GLY   1  14.704  14.592  14.592
    2   2H    GLY   1          3H        GLY   1  15.944  13.486  13.486
    3   3H    GLY   1          1H        GLY   1  15.162  13.538  13.538
    4   1HA   GLY   1          1HA       GLY   1  16.031  15.750  15.750
    5   2HA   GLY   1          2HA       GLY   1  17.354  14.606  14.606
    6    H    CYS   2           H        CYS   2  18.267  17.524  17.524
    7    HA   CYS   2           HA       CYS   2  18.243  16.888  16.888
    8   1HB   CYS   2          1HB       CYS   2  20.064  17.944  17.944
    9   2HB   CYS   2          2HB       CYS   2  19.208  19.482  19.482
   10    H    CYS   3           H        CYS   3  16.844  19.837  19.837
   11    HA   CYS   3           HA       CYS   3  15.045  20.819  20.819
   12   1HB   CYS   3          1HB       CYS   3  15.804  22.027  22.027
   13   2HB   CYS   3          2HB       CYS   3  14.913  20.901  20.901
   14    H    SER   4           H        SER   4  14.490  18.046  18.046
   15    HA   SER   4           HA       SER   4  11.608  17.735  17.735
   16   1HB   SER   4          1HB       SER   4  11.634  15.947  15.947
   17   2HB   SER   4          2HB       SER   4  12.141  17.476  17.476
   18    HG   SER   4           HG       SER   4  13.568  16.053  16.053
   19    H    ASN   5           H        ASN   5  14.434  16.894  16.894
   20    HA   ASN   5           HA       ASN   5  13.105  14.549  14.549
   21   1HB   ASN   5          1HB       ASN   5  15.834  16.032  16.032
   22   2HB   ASN   5          2HB       ASN   5  15.211  14.889  14.889
   23   1HD2  ASN   5          2HD2      ASN   5  17.101  12.554  12.554
   24   2HD2  ASN   5          1HD2      ASN   5  17.118  14.008  14.008
   25    HA   PRO   6           HA       PRO   6  12.022  17.599  17.599
   26   1HB   PRO   6          1HB       PRO   6  12.422  16.065  16.065
   27   2HB   PRO   6          2HB       PRO   6  10.983  16.006  16.006
   28   1HG   PRO   6          1HG       PRO   6  13.320  14.028  14.028
   29   2HG   PRO   6          2HG       PRO   6  11.618  13.687  13.687
   30   1HD   PRO   6          1HD       PRO   6  13.176  13.802  13.802
   31   2HD   PRO   6          2HD       PRO   6  11.488  14.212  14.212
   32    H    VAL   7           H        VAL   7  14.914  15.780  15.780
   33    HA   VAL   7           HA       VAL   7  16.143  17.969  17.969
   34    HB   VAL   7           HB       VAL   7  16.978  15.094  15.094
   35   1HG1  VAL   7          1HG1      VAL   7  19.036  16.293  16.293
   36   2HG1  VAL   7          2HG1      VAL   7  18.211  16.729  16.729
   37   3HG1  VAL   7          3HG1      VAL   7  18.574  15.022  15.022
   38   1HG2  VAL   7          1HG2      VAL   7  14.935  15.012  15.012
   39   2HG2  VAL   7          2HG2      VAL   7  16.320  14.297  14.297
   40   3HG2  VAL   7          3HG2      VAL   7  15.763  15.940  15.940
   41    H    CYS   8           H        CYS   8  17.357  16.233  16.233
   42    HA   CYS   8           HA       CYS   8  19.428  18.095  18.095
   43   1HB   CYS   8          1HB       CYS   8  19.221  15.705  15.705
   44   2HB   CYS   8          2HB       CYS   8  18.075  16.381  16.381
   45    H    HIS   9           H        HIS   9  16.385  18.565  18.565
   46    HA   HIS   9           HA       HIS   9  16.478  21.009  21.009
   47   1HB   HIS   9          1HB       HIS   9  14.473  19.599  19.599
   48   2HB   HIS   9          2HB       HIS   9  14.658  19.678  19.678
   49    HD1  HIS   9           HD1      HIS   9  12.013  20.122  20.122
   50    HD2  HIS   9           HD2      HIS   9  14.410  22.916  22.916
   51    HE1  HIS   9           HE1      HIS   9  10.669  22.285  22.285
   52    HE2  HIS   9           HE2      HIS   9  11.900  23.935  23.935
   53    H    LEU  10           H        LEU  10  17.004  20.358  20.358
   54    HA   LEU  10           HA       LEU  10  16.375  23.241  23.241
   55   1HB   LEU  10          1HB       LEU  10  16.334  20.719  20.719
   56   2HB   LEU  10          2HB       LEU  10  16.166  22.324  22.324
   57    HG   LEU  10           HG       LEU  10  14.237  21.178  21.178
   58   1HD1  LEU  10          1HD2      LEU  10  14.143  19.886  19.886
   59   2HD1  LEU  10          2HD2      LEU  10  13.886  21.390  21.390
   60   3HD1  LEU  10          3HD2      LEU  10  12.662  20.825  20.825
   61   1HD2  LEU  10          1HD1      LEU  10  13.975  23.687  23.687
   62   2HD2  LEU  10          2HD1      LEU  10  14.194  23.716  23.716
   63   3HD2  LEU  10          3HD1      LEU  10  12.705  23.056  23.056
   64    H    GLU  11           H        GLU  11  19.197  20.963  20.963
   65    HA   GLU  11           HA       GLU  11  21.292  22.346  22.346
   66   1HB   GLU  11          1HB       GLU  11  20.189  20.416  20.416
   67   2HB   GLU  11          2HB       GLU  11  20.641  21.586  21.586
   68   1HG   GLU  11          1HG       GLU  11  22.201  20.404  20.404
   69   2HG   GLU  11          2HG       GLU  11  22.236  19.643  19.643
   70    HE2  GLU  11           HE2      GLU  11  25.057  22.220  22.220
   71    H    HIS  12           H        HIS  12  19.058  23.385  23.385
   72    HA   HIS  12           HA       HIS  12  20.067  26.174  26.174
   73   1HB   HIS  12          1HB       HIS  12  20.781  26.228  26.228
   74   2HB   HIS  12          2HB       HIS  12  21.585  25.087  25.087
   75    HD1  HIS  12           HD1      HIS  12  22.705  23.477  23.477
   76    HD2  HIS  12           HD2      HIS  12  18.642  23.717  23.717
   77    HE1  HIS  12           HE1      HIS  12  21.732  21.209  21.209
   78    HE2  HIS  12           HE2      HIS  12  19.191  21.255  21.255
   79    H    SER  13           H        SER  13  17.917  25.664  25.664
   80    HA   SER  13           HA       SER  13  15.710  25.459  25.459
   81   1HB   SER  13          1HB       SER  13  15.848  27.426  27.426
   82   2HB   SER  13          2HB       SER  13  14.441  26.450  26.450
   83    HG   SER  13           HG       SER  13  16.085  25.742  25.742
   84    H    ASN  14           H        ASN  14  16.935  28.369  28.369
   85    HA   ASN  14           HA       ASN  14  14.964  30.108  30.108
   86   1HB   ASN  14          1HB       ASN  14  18.025  30.447  30.447
   87   2HB   ASN  14          2HB       ASN  14  16.854  31.625  31.625
   88   1HD2  ASN  14          2HD2      ASN  14  17.952  32.539  32.539
   89   2HD2  ASN  14          1HD2      ASN  14  18.893  31.941  31.941
   90    H    LEU  15           H        LEU  15  17.521  27.858  27.858
   91    HA   LEU  15           HA       LEU  15  17.106  28.398  28.398
   92   1HB   LEU  15          1HB       LEU  15  19.197  26.636  26.636
   93   2HB   LEU  15          2HB       LEU  15  19.127  27.049  27.049
   94    HG   LEU  15           HG       LEU  15  19.035  29.599  29.599
   95   1HD1  LEU  15          1HD2      LEU  15  19.566  28.646  28.646
   96   2HD1  LEU  15          2HD2      LEU  15  21.206  28.285  28.285
   97   3HD1  LEU  15          3HD2      LEU  15  20.605  29.941  29.941
   98   1HD2  LEU  15          1HD1      LEU  15  20.469  28.910  28.910
   99   2HD2  LEU  15          2HD1      LEU  15  21.407  29.846  29.846
  100   3HD2  LEU  15          3HD1      LEU  15  21.589  28.067  28.067
  101    H    CYS  16           H        CYS  16  15.878  26.220  26.220
  102    HA   CYS  16           HA       CYS  16  14.494  24.599  24.599
  103   1HB   CYS  16          1HB       CYS  16  15.012  23.693  23.693
  104   2HB   CYS  16          2HB       CYS  16  13.559  24.594  24.594
  105   1HN   NH2  17          1H        NH2  17  12.218  27.733  27.733
  106   2HN   NH2  17          2H        NH2  17  13.533  27.077  27.077

  Start of MODEL   12
    1   1H    GLY   1          2H        GLY   1  13.437  13.694  13.694
    2   2H    GLY   1          3H        GLY   1  12.600  15.147  15.147
    3   3H    GLY   1          1H        GLY   1  13.135  14.358  14.358
    4   1HA   GLY   1          1HA       GLY   1  15.460  14.728  14.728
    5   2HA   GLY   1          2HA       GLY   1  14.578  16.248  16.248
    6    H    CYS   2           H        CYS   2  16.711  16.753  16.753
    7    HA   CYS   2           HA       CYS   2  16.838  15.983  15.983
    8   1HB   CYS   2          1HB       CYS   2  18.812  16.724  16.724
    9   2HB   CYS   2          2HB       CYS   2  18.010  18.197  18.197
   10    H    CYS   3           H        CYS   3  15.438  19.131  19.131
   11    HA   CYS   3           HA       CYS   3  14.106  20.251  20.251
   12   1HB   CYS   3          1HB       CYS   3  13.585  19.784  19.784
   13   2HB   CYS   3          2HB       CYS   3  12.718  20.874  20.874
   14    H    SER   4           H        SER   4  13.295  17.164  17.164
   15    HA   SER   4           HA       SER   4  10.580  16.864  16.864
   16   1HB   SER   4          1HB       SER   4  12.183  14.721  14.721
   17   2HB   SER   4          2HB       SER   4  10.471  14.809  14.809
   18    HG   SER   4           HG       SER   4  10.444  16.572  16.572
   19    H    ASN   5           H        ASN   5  13.833  16.147  16.147
   20    HA   ASN   5           HA       ASN   5  12.962  14.274  14.274
   21   1HB   ASN   5          1HB       ASN   5  15.569  15.900  15.900
   22   2HB   ASN   5          2HB       ASN   5  15.409  14.806  14.806
   23   1HD2  ASN   5          1HD2      ASN   5  16.707  12.280  12.280
   24   2HD2  ASN   5          2HD2      ASN   5  16.358  13.135  13.135
   25    HA   PRO   6           HA       PRO   6  12.497  17.544  17.544
   26   1HB   PRO   6          1HB       PRO   6  13.205  16.154  16.154
   27   2HB   PRO   6          2HB       PRO   6  11.719  15.790  15.790
   28   1HG   PRO   6          1HG       PRO   6  14.439  14.365  14.365
   29   2HG   PRO   6          2HG       PRO   6  12.926  13.603  13.603
   30   1HD   PRO   6          1HD       PRO   6  13.907  13.762  13.762
   31   2HD   PRO   6          2HD       PRO   6  12.179  13.944  13.944
   32    H    VAL   7           H        VAL   7  15.398  15.726  15.726
   33    HA   VAL   7           HA       VAL   7  17.061  17.912  17.912
   34    HB   VAL   7           HB       VAL   7  17.558  15.055  15.055
   35   1HG1  VAL   7          1HG1      VAL   7  19.627  16.676  16.676
   36   2HG1  VAL   7          2HG1      VAL   7  19.782  14.959  14.959
   37   3HG1  VAL   7          3HG1      VAL   7  19.764  16.217  16.217
   38   1HG2  VAL   7          1HG2      VAL   7  16.249  15.031  15.031
   39   2HG2  VAL   7          2HG2      VAL   7  17.828  14.251  14.251
   40   3HG2  VAL   7          3HG2      VAL   7  17.564  15.904  15.904
   41    H    CYS   8           H        CYS   8  17.410  16.284  16.284
   42    HA   CYS   8           HA       CYS   8  19.166  18.324  18.324
   43   1HB   CYS   8          1HB       CYS   8  19.243  15.955  15.955
   44   2HB   CYS   8          2HB       CYS   8  17.791  16.330  16.330
   45    H    HIS   9           H        HIS   9  16.024  18.603  18.603
   46    HA   HIS   9           HA       HIS   9  15.955  21.034  21.034
   47   1HB   HIS   9          1HB       HIS   9  14.005  19.522  19.522
   48   2HB   HIS   9          2HB       HIS   9  14.256  19.741  19.741
   49    HD1  HIS   9           HD1      HIS   9  11.531  19.975  19.975
   50    HD2  HIS   9           HD2      HIS   9  14.030  23.009  23.009
   51    HE1  HIS   9           HE1      HIS   9  10.220  22.192  22.192
   52    HE2  HIS   9           HE2      HIS   9  11.548  24.088  24.088
   53    H    LEU  10           H        LEU  10  16.722  20.341  20.341
   54    HA   LEU  10           HA       LEU  10  16.040  23.155  23.155
   55   1HB   LEU  10          1HB       LEU  10  15.630  20.602  20.602
   56   2HB   LEU  10          2HB       LEU  10  15.460  22.214  22.214
   57    HG   LEU  10           HG       LEU  10  13.796  21.140  21.140
   58   1HD1  LEU  10          1HD2      LEU  10  13.290  19.894  19.894
   59   2HD1  LEU  10          2HD2      LEU  10  12.969  21.420  21.420
   60   3HD1  LEU  10          3HD2      LEU  10  11.919  20.907  20.907
   61   1HD2  LEU  10          1HD1      LEU  10  13.416  23.712  23.712
   62   2HD2  LEU  10          2HD1      LEU  10  13.857  23.672  23.672
   63   3HD2  LEU  10          3HD1      LEU  10  12.258  23.127  23.127
   64    H    GLU  11           H        GLU  11  18.664  20.718  20.718
   65    HA   GLU  11           HA       GLU  11  20.702  22.154  22.154
   66   1HB   GLU  11          1HB       GLU  11  21.906  21.464  21.464
   67   2HB   GLU  11          2HB       GLU  11  20.744  20.261  20.261
   68   1HG   GLU  11          1HG       GLU  11  19.428  20.512  20.512
   69   2HG   GLU  11          2HG       GLU  11  20.124  22.058  22.058
   70    HE1  GLU  11           HE2      GLU  11  22.291  18.796  18.796
   71    H    HIS  12           H        HIS  12  19.186  23.263  23.263
   72    HA   HIS  12           HA       HIS  12  20.646  25.870  25.870
   73   1HB   HIS  12          1HB       HIS  12  19.871  24.005  24.005
   74   2HB   HIS  12          2HB       HIS  12  19.701  25.532  25.532
   75    HD1  HIS  12           HD1      HIS  12  22.195  22.809  22.809
   76    HD2  HIS  12           HD2      HIS  12  22.355  27.074  27.074
   77    HE1  HIS  12           HE1      HIS  12  24.554  23.506  23.506
   78    HE2  HIS  12           HE2      HIS  12  24.864  26.105  26.105
   79    H    SER  13           H        SER  13  17.824  25.106  25.106
   80    HA   SER  13           HA       SER  13  16.259  25.417  25.417
   81   1HB   SER  13          1HB       SER  13  15.275  25.276  25.276
   82   2HB   SER  13          2HB       SER  13  14.934  26.990  26.990
   83    HG   SER  13           HG       SER  13  13.655  26.591  26.591
   84    H    ASN  14           H        ASN  14  17.839  27.949  27.949
   85    HA   ASN  14           HA       ASN  14  16.538  29.780  29.780
   86   1HB   ASN  14          1HB       ASN  14  18.691  30.416  30.416
   87   2HB   ASN  14          2HB       ASN  14  18.947  29.985  29.985
   88   1HD2  ASN  14          1HD2      ASN  14  20.827  27.815  27.815
   89   2HD2  ASN  14          2HD2      ASN  14  19.856  29.331  29.331
   90    H    LEU  15           H        LEU  15  17.818  26.478  26.478
   91    HA   LEU  15           HA       LEU  15  17.789  26.452  26.452
   92   1HB   LEU  15          1HB       LEU  15  19.574  25.759  25.759
   93   2HB   LEU  15          2HB       LEU  15  18.371  24.803  24.803
   94    HG   LEU  15           HG       LEU  15  18.016  23.473  23.473
   95   1HD1  LEU  15          1HD2      LEU  15  18.960  24.783  24.783
   96   2HD1  LEU  15          2HD2      LEU  15  20.568  24.802  24.802
   97   3HD1  LEU  15          3HD2      LEU  15  19.909  23.284  23.284
   98   1HD2  LEU  15          1HD1      LEU  15  19.521  22.672  22.672
   99   2HD2  LEU  15          2HD1      LEU  15  20.167  22.028  22.028
  100   3HD2  LEU  15          3HD1      LEU  15  20.939  23.443  23.443
  101    H    CYS  16           H        CYS  16  15.573  25.599  25.599
  102    HA   CYS  16           HA       CYS  16  13.634  24.165  24.165
  103   1HB   CYS  16          1HB       CYS  16  14.651  23.335  23.335
  104   2HB   CYS  16          2HB       CYS  16  13.446  22.487  22.487
  105   1HN   NH2  17          1H        NH2  17  11.793  26.617  26.617
  106   2HN   NH2  17          2H        NH2  17  13.621  26.710  26.710

  Start of MODEL   13
    1   1H    GLY   1          3H        GLY   1  14.412  15.111  15.111
    2   2H    GLY   1          1H        GLY   1  13.728  14.382  14.382
    3   3H    GLY   1          2H        GLY   1  13.075  15.808  15.808
    4   1HA   GLY   1          1HA       GLY   1  14.399  16.227  16.227
    5   2HA   GLY   1          2HA       GLY   1  15.801  15.525  15.525
    6    H    CYS   2           H        CYS   2  16.588  18.881  18.881
    7    HA   CYS   2           HA       CYS   2  16.515  17.136  17.136
    8   1HB   CYS   2          1HB       CYS   2  18.566  18.201  18.201
    9   2HB   CYS   2          2HB       CYS   2  17.801  19.797  19.797
   10    H    CYS   3           H        CYS   3  15.119  20.408  20.408
   11    HA   CYS   3           HA       CYS   3  13.640  21.077  21.077
   12   1HB   CYS   3          1HB       CYS   3  13.659  21.902  21.902
   13   2HB   CYS   3          2HB       CYS   3  12.370  20.804  20.804
   14    H    SER   4           H        SER   4  12.844  18.506  18.506
   15    HA   SER   4           HA       SER   4  10.341  17.587  17.587
   16   1HB   SER   4          1HB       SER   4   9.909  16.340  16.340
   17   2HB   SER   4          2HB       SER   4  11.020  17.351  17.351
   18    HG   SER   4           HG       SER   4  11.445  14.769  14.769
   19    H    ASN   5           H        ASN   5  13.633  17.096  17.096
   20    HA   ASN   5           HA       ASN   5  13.123  14.590  14.590
   21   1HB   ASN   5          1HB       ASN   5  15.504  16.628  16.628
   22   2HB   ASN   5          2HB       ASN   5  15.369  15.080  15.080
   23   1HD2  ASN   5          2HD2      ASN   5  17.285  13.705  13.705
   24   2HD2  ASN   5          1HD2      ASN   5  17.140  14.472  14.472
   25    HA   PRO   6           HA       PRO   6  12.350  17.088  17.088
   26   1HB   PRO   6          1HB       PRO   6  13.421  15.474  15.474
   27   2HB   PRO   6          2HB       PRO   6  11.901  15.077  15.077
   28   1HG   PRO   6          1HG       PRO   6  14.694  14.052  14.052
   29   2HG   PRO   6          2HG       PRO   6  13.327  13.089  13.089
   30   1HD   PRO   6          1HD       PRO   6  13.758  13.689  13.689
   31   2HD   PRO   6          2HD       PRO   6  12.101  13.788  13.788
   32    H    VAL   7           H        VAL   7  15.443  15.638  15.638
   33    HA   VAL   7           HA       VAL   7  16.711  17.662  17.662
   34    HB   VAL   7           HB       VAL   7  17.623  15.102  15.102
   35   1HG1  VAL   7          1HG1      VAL   7  19.287  16.497  16.497
   36   2HG1  VAL   7          2HG1      VAL   7  19.627  14.889  14.889
   37   3HG1  VAL   7          3HG1      VAL   7  19.732  16.330  16.330
   38   1HG2  VAL   7          1HG2      VAL   7  15.968  14.707  14.707
   39   2HG2  VAL   7          2HG2      VAL   7  17.528  13.906  13.906
   40   3HG2  VAL   7          3HG2      VAL   7  17.135  15.416  15.416
   41    H    CYS   8           H        CYS   8  17.640  16.671  16.671
   42    HA   CYS   8           HA       CYS   8  19.500  18.850  18.850
   43   1HB   CYS   8          1HB       CYS   8  20.240  18.150  18.150
   44   2HB   CYS   8          2HB       CYS   8  19.633  16.645  16.645
   45    H    HIS   9           H        HIS   9  16.445  18.835  18.835
   46    HA   HIS   9           HA       HIS   9  15.935  21.445  21.445
   47   1HB   HIS   9          1HB       HIS   9  14.201  19.700  19.700
   48   2HB   HIS   9          2HB       HIS   9  14.548  19.601  19.601
   49    HD1  HIS   9           HD1      HIS   9  11.741  19.710  19.710
   50    HD2  HIS   9           HD2      HIS   9  13.875  22.867  22.867
   51    HE1  HIS   9           HE1      HIS   9  10.364  21.792  21.792
   52    HE2  HIS   9           HE2      HIS   9  11.268  23.547  23.547
   53    H    LEU  10           H        LEU  10  16.743  20.448  20.448
   54    HA   LEU  10           HA       LEU  10  15.947  23.239  23.239
   55   1HB   LEU  10          1HB       LEU  10  16.090  20.622  20.622
   56   2HB   LEU  10          2HB       LEU  10  15.871  22.184  22.184
   57    HG   LEU  10           HG       LEU  10  13.964  21.041  21.041
   58   1HD1  LEU  10          1HD1      LEU  10  13.924  19.666  19.666
   59   2HD1  LEU  10          2HD1      LEU  10  13.620  21.114  21.114
   60   3HD1  LEU  10          3HD1      LEU  10  12.408  20.563  20.563
   61   1HD2  LEU  10          3HD2      LEU  10  13.604  23.478  23.478
   62   2HD2  LEU  10          1HD2      LEU  10  13.825  23.598  23.598
   63   3HD2  LEU  10          2HD2      LEU  10  12.363  22.846  22.846
   64    H    GLU  11           H        GLU  11  18.691  20.959  20.959
   65    HA   GLU  11           HA       GLU  11  20.777  22.604  22.604
   66   1HB   GLU  11          1HB       GLU  11  20.272  20.635  20.635
   67   2HB   GLU  11          2HB       GLU  11  21.796  21.325  21.325
   68   1HG   GLU  11          1HG       GLU  11  22.029  20.301  20.301
   69   2HG   GLU  11          2HG       GLU  11  20.375  19.703  19.703
   70    HE2  GLU  11           HE2      GLU  11  22.501  16.929  16.929
   71    H    HIS  12           H        HIS  12  19.054  23.097  23.097
   72    HA   HIS  12           HA       HIS  12  20.322  25.783  25.783
   73   1HB   HIS  12          1HB       HIS  12  20.425  23.706  23.706
   74   2HB   HIS  12          2HB       HIS  12  20.622  25.440  25.440
   75    HD1  HIS  12           HD1      HIS  12  22.608  22.411  22.411
   76    HD2  HIS  12           HD2      HIS  12  22.808  26.663  26.663
   77    HE1  HIS  12           HE1      HIS  12  24.934  23.081  23.081
   78    HE2  HIS  12           HE2      HIS  12  25.227  25.661  25.661
   79    H    SER  13           H        SER  13  17.982  25.485  25.485
   80    HA   SER  13           HA       SER  13  15.889  25.354  25.354
   81   1HB   SER  13          1HB       SER  13  15.976  25.553  25.553
   82   2HB   SER  13          2HB       SER  13  15.892  27.301  27.301
   83    HG   SER  13           HG       SER  13  13.867  27.089  27.089
   84    H    ASN  14           H        ASN  14  17.661  27.885  27.885
   85    HA   ASN  14           HA       ASN  14  16.155  29.670  29.670
   86   1HB   ASN  14          1HB       ASN  14  18.278  30.433  30.433
   87   2HB   ASN  14          2HB       ASN  14  18.318  30.390  30.390
   88   1HD2  ASN  14          1HD2      ASN  14  21.462  28.865  28.865
   89   2HD2  ASN  14          2HD2      ASN  14  20.335  30.145  30.145
   90    H    LEU  15           H        LEU  15  17.778  26.621  26.621
   91    HA   LEU  15           HA       LEU  15  17.311  26.467  26.467
   92   1HB   LEU  15          1HB       LEU  15  18.887  24.492  24.492
   93   2HB   LEU  15          2HB       LEU  15  18.708  24.437  24.437
   94    HG   LEU  15           HG       LEU  15  20.192  26.647  26.647
   95   1HD1  LEU  15          1HD1      LEU  15  21.357  24.386  24.386
   96   2HD1  LEU  15          2HD1      LEU  15  21.270  24.409  24.409
   97   3HD1  LEU  15          3HD1      LEU  15  22.239  25.631  25.631
   98   1HD2  LEU  15          1HD2      LEU  15  19.902  26.281  26.281
   99   2HD2  LEU  15          2HD2      LEU  15  19.253  27.624  27.624
  100   3HD2  LEU  15          3HD2      LEU  15  21.001  27.430  27.430
  101    H    CYS  16           H        CYS  16  15.632  25.474  25.474
  102    HA   CYS  16           HA       CYS  16  13.806  23.901  23.901
  103   1HB   CYS  16          1HB       CYS  16  13.961  22.968  22.968
  104   2HB   CYS  16          2HB       CYS  16  13.297  24.504  24.504
  105   1HN   NH2  17          1H        NH2  17  12.498  27.685  27.685
  106   2HN   NH2  17          2H        NH2  17  13.720  26.943  26.943

  Start of MODEL   14
    1   1H    GLY   1          2H        GLY   1  15.358  13.347  13.347
    2   2H    GLY   1          3H        GLY   1  14.275  14.633  14.633
    3   3H    GLY   1          1H        GLY   1  14.959  14.117  14.117
    4   1HA   GLY   1          1HA       GLY   1  17.172  14.824  14.824
    5   2HA   GLY   1          2HA       GLY   1  16.030  16.169  16.169
    6    H    CYS   2           H        CYS   2  17.935  16.982  16.982
    7    HA   CYS   2           HA       CYS   2  17.938  15.913  15.913
    8   1HB   CYS   2          1HB       CYS   2  19.820  16.671  16.671
    9   2HB   CYS   2          2HB       CYS   2  19.553  18.280  18.280
   10    H    CYS   3           H        CYS   3  17.054  19.141  19.141
   11    HA   CYS   3           HA       CYS   3  15.526  20.430  20.430
   12   1HB   CYS   3          1HB       CYS   3  15.363  20.240  20.240
   13   2HB   CYS   3          2HB       CYS   3  14.207  21.139  21.139
   14    H    SER   4           H        SER   4  14.431  17.722  17.722
   15    HA   SER   4           HA       SER   4  11.605  17.769  17.769
   16   1HB   SER   4          1HB       SER   4  11.475  15.857  15.857
   17   2HB   SER   4          2HB       SER   4  12.437  17.000  17.000
   18    HG   SER   4           HG       SER   4  13.499  14.884  14.884
   19    H    ASN   5           H        ASN   5  14.410  16.700  16.700
   20    HA   ASN   5           HA       ASN   5  13.050  14.605  14.605
   21   1HB   ASN   5          1HB       ASN   5  15.738  16.180  16.180
   22   2HB   ASN   5          2HB       ASN   5  15.235  14.989  14.989
   23   1HD2  ASN   5          2HD2      ASN   5  17.047  12.689  12.689
   24   2HD2  ASN   5          1HD2      ASN   5  16.995  13.945  13.945
   25    HA   PRO   6           HA       PRO   6  12.154  17.618  17.618
   26   1HB   PRO   6          1HB       PRO   6  12.838  16.146  16.146
   27   2HB   PRO   6          2HB       PRO   6  11.372  15.810  15.810
   28   1HG   PRO   6          1HG       PRO   6  14.098  14.393  14.393
   29   2HG   PRO   6          2HG       PRO   6  12.580  13.643  13.643
   30   1HD   PRO   6          1HD       PRO   6  13.351  13.863  13.863
   31   2HD   PRO   6          2HD       PRO   6  11.674  14.207  14.207
   32    H    VAL   7           H        VAL   7  15.040  15.829  15.829
   33    HA   VAL   7           HA       VAL   7  16.414  18.073  18.073
   34    HB   VAL   7           HB       VAL   7  17.128  15.141  15.141
   35   1HG1  VAL   7          1HG2      VAL   7  18.791  16.937  16.937
   36   2HG1  VAL   7          2HG2      VAL   7  19.010  15.186  15.186
   37   3HG1  VAL   7          3HG2      VAL   7  19.354  16.285  16.285
   38   1HG2  VAL   7          1HG1      VAL   7  15.305  15.394  15.394
   39   2HG2  VAL   7          2HG1      VAL   7  16.753  14.650  14.650
   40   3HG2  VAL   7          3HG1      VAL   7  16.399  16.361  16.361
   41    H    CYS   8           H        CYS   8  17.324  16.401  16.401
   42    HA   CYS   8           HA       CYS   8  19.363  18.371  18.371
   43   1HB   CYS   8          1HB       CYS   8  19.656  16.030  16.030
   44   2HB   CYS   8          2HB       CYS   8  18.325  16.358  16.358
   45    H    HIS   9           H        HIS   9  16.322  18.669  18.669
   46    HA   HIS   9           HA       HIS   9  16.306  21.078  21.078
   47   1HB   HIS   9          1HB       HIS   9  14.482  19.479  19.479
   48   2HB   HIS   9          2HB       HIS   9  14.682  20.128  20.128
   49    HD1  HIS   9           HD1      HIS   9  12.050  20.042  20.042
   50    HD2  HIS   9           HD2      HIS   9  14.407  22.959  22.959
   51    HE1  HIS   9           HE1      HIS   9  10.850  22.277  22.277
   52    HE2  HIS   9           HE2      HIS   9  12.010  24.218  24.218
   53    H    LEU  10           H        LEU  10  16.631  20.375  20.375
   54    HA   LEU  10           HA       LEU  10  16.240  23.300  23.300
   55   1HB   LEU  10          1HB       LEU  10  15.729  20.785  20.785
   56   2HB   LEU  10          2HB       LEU  10  15.626  22.396  22.396
   57    HG   LEU  10           HG       LEU  10  13.923  21.398  21.398
   58   1HD1  LEU  10          1HD1      LEU  10  13.338  20.273  20.273
   59   2HD1  LEU  10          2HD1      LEU  10  13.111  21.850  21.850
   60   3HD1  LEU  10          3HD1      LEU  10  12.043  21.354  21.354
   61   1HD2  LEU  10          1HD2      LEU  10  13.707  24.062  24.062
   62   2HD2  LEU  10          2HD2      LEU  10  14.164  23.918  23.918
   63   3HD2  LEU  10          3HD2      LEU  10  12.533  23.487  23.487
   64    H    GLU  11           H        GLU  11  18.920  20.995  20.995
   65    HA   GLU  11           HA       GLU  11  20.843  22.762  22.762
   66   1HB   GLU  11          1HB       GLU  11  22.164  21.666  21.666
   67   2HB   GLU  11          2HB       GLU  11  20.986  20.540  20.540
   68   1HG   GLU  11          1HG       GLU  11  19.866  20.388  20.388
   69   2HG   GLU  11          2HG       GLU  11  20.728  21.778  21.778
   70    HE1  GLU  11           HE2      GLU  11  22.592  18.220  18.220
   71    H    HIS  12           H        HIS  12  19.252  23.067  23.067
   72    HA   HIS  12           HA       HIS  12  20.325  25.928  25.928
   73   1HB   HIS  12          1HB       HIS  12  20.089  23.792  23.792
   74   2HB   HIS  12          2HB       HIS  12  20.333  25.497  25.497
   75    HD1  HIS  12           HD1      HIS  12  22.327  22.376  22.376
   76    HD2  HIS  12           HD2      HIS  12  22.738  26.571  26.571
   77    HE1  HIS  12           HE1      HIS  12  24.703  22.866  22.866
   78    HE2  HIS  12           HE2      HIS  12  25.132  25.406  25.406
   79    H    SER  13           H        SER  13  18.232  25.724  25.724
   80    HA   SER  13           HA       SER  13  15.954  25.236  25.236
   81   1HB   SER  13          1HB       SER  13  14.812  26.255  26.255
   82   2HB   SER  13          2HB       SER  13  16.266  25.364  25.364
   83    HG   SER  13           HG       SER  13  16.109  27.500  27.500
   84    H    ASN  14           H        ASN  14  16.864  28.291  28.291
   85    HA   ASN  14           HA       ASN  14  14.792  29.826  29.826
   86   1HB   ASN  14          1HB       ASN  14  17.809  30.464  30.464
   87   2HB   ASN  14          2HB       ASN  14  16.511  31.538  31.538
   88   1HD2  ASN  14          2HD2      ASN  14  17.614  32.011  32.011
   89   2HD2  ASN  14          1HD2      ASN  14  18.633  31.290  31.290
   90    H    LEU  15           H        LEU  15  17.437  27.739  27.739
   91    HA   LEU  15           HA       LEU  15  17.143  28.606  28.606
   92   1HB   LEU  15          1HB       LEU  15  19.060  26.519  26.519
   93   2HB   LEU  15          2HB       LEU  15  19.101  27.255  27.255
   94    HG   LEU  15           HG       LEU  15  19.192  29.555  29.555
   95   1HD1  LEU  15          1HD2      LEU  15  19.299  28.404  28.404
   96   2HD1  LEU  15          2HD2      LEU  15  20.850  27.666  27.666
   97   3HD1  LEU  15          3HD2      LEU  15  20.691  29.426  29.426
   98   1HD2  LEU  15          1HD1      LEU  15  20.803  28.926  28.926
   99   2HD2  LEU  15          2HD1      LEU  15  21.671  29.586  29.586
  100   3HD2  LEU  15          3HD1      LEU  15  21.663  27.823  27.823
  101    H    CYS  16           H        CYS  16  16.165  25.920  25.920
  102    HA   CYS  16           HA       CYS  16  14.860  24.509  24.509
  103   1HB   CYS  16          1HB       CYS  16  15.302  23.693  23.693
  104   2HB   CYS  16          2HB       CYS  16  14.391  22.736  22.736
  105   1HN   NH2  17          1H        NH2  17  12.082  26.370  26.370
  106   2HN   NH2  17          2H        NH2  17  13.785  26.359  26.359