*HEADER   HORMONE                                 05-MAR-93   1HIQ    
*COMPND   INSULIN (HUMAN) MUTANT WITH PHE B 24 REPLACED BY SER (F24S) 
*COMPND  2 (NMR, REPRESENTATIVE PLUS 9 STRUCTURES)                    
*SOURCE   HUMAN (HOMO SAPIENS) PANCREAS                               
*AUTHOR   Q.X.HUA,S.E.SHOELSON,K.INOUYE,M.A.WEISS                     
*REVDAT  1   31-JAN-94 1HIQ    0                                      

REMARK   PARAMETER FILE FOR ALL EXPLICIT HYDROGENS BASED ON CFF PARAMETERS
REMARK   IN BRUCE GELIN'S THESIS (PARMFIX7 VALUES HAVE TRAILING 0'S)
REMARK   BOND ANGLE PARAMETERS INCLUDE THE HARMONIC CONTRIBUTION FROM
REMARK   Urey-Bradley F TERM ( (R13-R0)\2 )
REMARK   DIHEDRALS INCLUDE MULTIPLICITY FROM CFF
REMARK   MODIFIED TO INCLUDE HA AND CT
REMARK   HIS AND TRYP INCLUDED 4/13/80 DJS
REMARK   hbond parameters as in PARAM7 ( ATB, 3-APR-85 )
REMARK   modified: increased force constant on cis/trans peptide
REMARK   dihedrals
REMARK   increased improper force constants
REMARK DATE:12-Aug-92  09:43:42       created by user: hua

#SER-B24 HI(J) NOE constraints 200 ms mixing time
#Cutoffs for strong, medium and weak seqential's
#are 2.7, 3.4 and 4.3 A.
#Corrections for metyl, methylene and phenyl
#groups are 1.0, 1.7 and 2.1 A.
        
         2 ILE  HA        3 VAL HN      4.3  
	 3 VAL  HA	  4 GLU HN	3.4
	 5 GLN	HA	  6 CYS	HN	4.3
	 6 CYS	HA	  7 CYS	HN	3.4
	 7 CYS	HA	  8 THR HN	4.3
	 8 THR  HA	  9 SER HN	4.3
	10 ILE	HA	 11 CYS	HN	4.3
	12 SER 	HA	 13 LEU HN	2.7
	13 LEU  HA	 14 TYR	HN	4.3
	14 TYR  HA	 15 GLN	HN	4.3
	15 GLN	HA	 16 LEU HN	3.4
	17 GLU	HA	 18 ASN HN	4.3
	18 ASN  HA	 19 TYR	HN	3.4
	19 TYR  HA	 20 CYS HN	4.3
	20 CYS	HA	 21 ASN	HN	3.4




	 2 ILE	HN	  3 VAL HN	3.4
	 4 GLU	HN	  5 GLN	HN	4.3
	 5 GLN	HN	  6 CYS HN	3.4
	 6 CYS	HN	  7 CYS	HN	3.4
	13 LEU  HN	 14 TYR	HN	3.4
	15 GLN	HN	 16 LEU HN	3.4
	17 GLU	HN	 18 ASN HN	3.4
	18 ASN  HN	 19 TYR HN	3.4
	19 TYR  HN	 20 CYS	HN	2.7



 
	 4 GLU	HB1	  5 GLN HN	4.4
	 4 GLU  HB2	  5 GLN	HN	4.4
	 5 GLN	HB2	  6 CYS	HN	4.3
	 6 CYS	HB1	  7 CYS HN	4.3
	 7 CYS	HB2	  8 THR HN	4.3
	 8 THR  HB	  9 SER HN	4.3
 	 9 SER  HB1	 10 ILE HN	5.1
	 9 SER  HB2	 10 ILE HN	5.1
	12 SER  HB1	 13 LEU HN	5.1
	12 SER  HB2	 13 LEU HN	5.1
	13 LEU  HB1	 14 TYR HN	4.4
	13 LEU  HB2 	 14 TYR HN	4.4
 	14 TYR  HB1	 15 GLN	HN	6.0
	14 TYR  HB2	 15 GLN	HN	6.0
	15 GLN	HB1	 16 LEU HN	5.1
	15 GLN	HB2	 16 LEU HN	5.1
	16 LEU  HB1	 17 GLU	HN	5.1
	16 LEU  HB2	 17 GLU HN	5.1
	17 GLU  HB1	 18 ASN HN	6.0
	17 GLU  HB2	 18 ASN HN	6.0
	18 ASN  HB1	 19 TYR	HN	6.0
	18 ASN  HB2	 19 TYR HN	6.0
	19 TYR  HB1	 20 CYS	HN	5.1
	19 TYR  HB2	 20 CYS	HN	5.1
	20 CYS	HB1	 21 ASN HN	6.0
	20 CYS	HB2	 21 ASN HN	6.0




	 3 VAL  HA	  6 CYS	HN	4.3
	 3 VAL  MG1 	  6 CYS	HN	7.0
	 3 VAL  MG2 	  6 CYS	HN	7.0
  	 5 GLN	HA	  8 THR	HN	4.3




	12 SER  HA	 15 GLN HB1	6.0
	12 SER  HA	 15 GLN HB2	6.0
	13 LEU  HA	 16 LEU HN	4.3
	13 LEU  HA	 16 LEU HB1	5.1
	13 LEU  HA	 16 LEU HB2	5.1
 	14 TYR	HA	 17 GLU HN	3.4
	14 TYR  HA	 17 GLU HB1	5.1
	14 TYR  HA	 17 GLU HB2	5.1
	15 GLN	HA	 18 ASN HN	4.3
	15 GLN  HA	 18 ASN HB1	5.1
	16 LEU  HA	 19 TYR	HN	4.3
	16 LEU  MD1	 19 TYR HE5 	6.1
	16 LEU  MD2	 19 TYR HE5	6.1
	16 LEU  HB1	 19 TYR HD6	6.0
	16 LEU  HB2	 19 TYR HD6	6.0
	16 LEU  MD1	 19 TYR HD6	5.4
 	16 LEU  MD2	 19 TYR	HD6	5.4
	16 LEU  HA	 19 TYR HE5	4.3
	16 LEU  HA	 19 TYR HD6	4.3



	 6 CYS	HA	 11 CYS	HB1	5.1
	 6 CYS	HA	 11 CYS	HB2	5.1
	 7 CYS	HB1	107 CYS	HN	6.0
	20 CYS	HN	119 CYS	HB1	4.4




	 2 ILE  MG	  3 VAL HA	4.4
	 2 ILE  MD	 19 TYR HB2	5.3
	 2 ILE  HG2	 19 TYR HE3	3.4	
	 2 ILE  MD	 19 TYR HE3	4.4
	 2 ILE  HG1	 19 TYR HD2	4.4
	 2 ILE  HG2	 19 TYR HD2	4.4
	 2 ILE  MG	 19 TYR HD2	4.4
	 2 ILE  MD	 19 TYR HD2	3.7
	 2 ILE  MG 	 19 TYR HE3	4.4
	 3 VAL  MG1	  6 CYS	HN	7.0
	 3 VAL  MG2	  6 CYS	HN	7.0
	 3 VAL  HB	 19 TYR CZ4	6.4
	 4 GLU	HA	  8 THR MG	5.3
	 4 GLU  HA	  8 THR HB	4.3
	 4 GLU  HG1	  5 GLN HN 	6.0
	 4 GLU  HG2	  5 GLN HN	6.0
	 5 GLN	HA	  7 CYS	HN	3.4
	 5 GLN	HB2	  7 CYS	HN	4.4
	 5 GLN  HB1	 19 TYR CZ4	8.1
	 5 GLN	HB2	 19 TYR CZ4	8.1
	 9 SER  HA	 10 ILE HG1 	6.0
	 9 SER  HA	 10 ILE HG2	6.0
	12 SER  HB1	 13 LEU HB2	6.0
	12 SER  HB2	 13 LEU HB2	6.0
	12 SER  HA	 13 LEU HB1	6.0
	12 SER  HA	 13 LEU HB2	6.0
	13 LEU  HG	 14 TYR HA	6.0
	13 LEU  HB1	 14 TYR HA	6.0
	13 LEU  HB2	 14 TYR HA	6.0
	17 GLU  HA	 20 CYS	HB1	6.0
	17 GLU  HA	 20 CYS	HB2	6.0
	17 GLU  HA	 20 CYS	HN	3.4




       102 VAL  HA	103 ASN HN	2.7
       103 ASN  HA	104 GLN HN	2.7
       104 GLN	HA	105 HIS HN	2.7
       105 HIS  HA	106 LEU HN	3.4
       106 LEU  HA	107 CYS HN	3.4
       108 GLY  HA1	109 SER HN	3.4
       108 GLY  HA2	109 SER HN	2.7
       109 SER  HA	110 HIS HN	3.4
       112 VAL  HA	113 GLU HN	4.3
       113 GLU  HA	114 ALA HN	4.3
       114 ALA  HA	115 LEU HN	3.4
       115 LEU  HA	116 TYR HN	4.3
       116 TYR  HA	117 LEU HN	4.3
       117 LEU  HA	118 VAL HN	4.3
       118 VAL  HA	119 CYS	HN	4.3
       120 GLY  HA1	121 GLU HN	4.3
       120 GLY  HA2	121 GLU HN	4.3
       121 GLU  HA	122 ARG HN	3.4
       122 ARG  HA	123 GLY	HN	2.7
       123 GLY  HA1	124 SER HN	3.4
       123 GLY  HA2	124 SER HN	3.4
       124 SER  HA	125 PHE	HN	3.4
       125 PHE  HA	126 TYR HN	3.4
       126 TYR  HA	127 THR HN	2.7
       129 LYS  HA	130 THR HN	2.7
       



       104 GLN  HN	105 HIS HN	4.3
       109 SER  HN	110 HIS HN	4.3
       110 HIS  HN	111 LEU HN	3.4
       112 VAL  HN	113 GLU HN	4.3
       114 ALA  HN	115 LEU HN	3.4
       116 TYR  HN	117 LEU HN	4.3
       117 LEU  HN	118 VAL HN	4.3
       118 VAL  HN	119 CYS	HN	3.4
       119 CYS  HN	120 GLY HN	3.4
       125 PHE  HN	126 TYR HN	4.3
  



       102 VAL  HB	103 ASN HN	4.3
       103 ASN  HB2	104 GLN HN	4.3
       104 GLN  HB2	105 HIS HN	4.3
       105 HIS  HB2	106 LEU HN	3.4
       107 CYS  HB1	108 GLY HN	6.0
       107 CYS  HB2     108 GLY HN	6.0
       109 SER  HB2     110 HIS HN	4.3
       110 HIS  HB1	111 LEU HN	3.4
       111 LEU  HB1	112 VAL HN	3.4
       112 VAL  HB	113 GLU HN	3.4
       113 GLU  HB2     114 ALA HN	3.4
       114 ALA  MB	115 LEU HN	4.4
       115 LEU  HB1	116 TYR HN	5.1
       115 LEU  HB2     116 TYR HN	5.1
       116 TYR  HB2	117 LEU HN	3.4
       117 LEU  HB2     118 VAL HN	3.4
       118 VAL  HB	119 CYS HN	3.4
       119 CYS  HB1	120 GLY HN	6.0
       119 CYS  HB2	120 GLY HN	6.0
       121 GLU  HB1	122 ARG HN	5.1
       121 GLU  HB2     122 ARG HN	5.1
       122 ARG  HB2     123 GLY HN	4.3
       124 SER  HB2 	125 PHE HN	4.3
       125 PHE  HB1	126 TYR HN	5.1
       125 PHE  HB2	126 TYR HN	5.1




       109 SER  HA 	112 VAL HN	4.3
       109 SER  HA	112 VAL HB	4.4
       109 SER  HB1	112 VAL HB	6.1
       109 SER  HB2 	112 VAL HB	6.1
       110 HIS  HA	113 GLU HB1	4.4
       110 HIS  HA      113 GLU HB2	4.4
       111 LEU  HA	114 ALA HN	3.4
       111 LEU  HA	114 ALA MB	3.7
       112 VAL  HA	115 LEU HN	4.3
       112 VAL  HA	115 LEU HB1	5.1
       112 VAL  HA	115 LEU HB2	5.1
       112 VAL  HA	115 LEU MD1	5.4
       112 VAL  HA	115 LEU MD2	5.4
       112 VAL  HA	115 LEU HG	4.3
       113 GLU  HA	116 TYR HN	3.4
       113 GLU  HA	116 TYR HB1	4.4
       113 GLU  HA	116 TYR HB2	4.4
       113 GLU  HA	116 TYR CG1	5.5
       114 ALA  HA 	117 LEU HN	3.4
       114 ALA  HA	117 LEU HB1	4.4
       114 ALA  HA 	117 LEU HB2	4.4
       115 LEU  HA	118 VAL HN	3.4
       115 LEU  HA      118 VAL HB	3.4
       115 LEU  HA	118 VAL MG1	5.4
       115 LEU  HA      118 VAL MG2	5.4
       115 LEU  HB1	118 VAL MG1	8.7
       115 LEU  HB2	118 VAL MG1	8.7
       115 LEU  HB1     118 VAL MG2	8.7
       115 LEU  HB2	118 VAL MG2	8.7




       102 VAL  HA	103 ASN HN	2.7
       102 VAL  MG1	103 ASN HN	6.1
       102 VAL  MG1	103 ASN HN	6.1
       106 LEU  MD1	107 CYS HN	7.0	
       106 LEU  MD2	107 CYS HN	7.0	
       106 LEU  HA	110 HIS HN	4.3
       106 LEU  MD1	111 LEU HA	6.1
       106 LEU  MD2	111 LEU HA	6.1
       107 CYS  HN	110 HIS HB1	6.0
       107 CYS  HN	110 HIS HB2	6.0
       108 GLY  HA2	110 HIS HN	4.3
       112 VAL  HA	113 GLU HN	3.4
       112 VAL  MG1 	113 GLU HA	7.0
       112 VAL  MG2	113 GLU HA	7.0
       113 GLU  HN	114 ALA MB	5.3
       110 HIS  HA	113 GLU HG1	5.1
       110 HIS  HA	113 GLU HG2	5.1
       115 LEU  HA	119 CYS HN	4.3
       115 LEU  MD1	119 CYS HN	7.0
       115 LEU  HB1	119 CYS HB1	7.7
       115 LEU  HB2	119 CYS HB1	7.7
       115 LEU  HB2	119 CYS HB2	7.7
       112 VAL  MG1	126 TYR HE5	6.1
       112 VAL  MG2	126 TYR HE5	6.1
       115 LEU  MD1	126 TYR HE5	7.0
       115 LEU  MD2	126 TYR HE5	7.0
       116 TYR  HD2	117 LEU HB1	4.3
       116 TYR  HD2	117 LEU MD1	5.4
       116 TYR  HD2	117 LEU MD2	5.4
       117 LEU  HG	118 VAL HN	4.3
       118 VAL  MG1	119 CYS HA	7.0
       118 VAL  MG2	119 CYS HN	7.0
       118 VAL  MG1	119 CYS HB1	6.1
       118 VAL  MG2	119 CYS HB1	6.1
       118 VAL  MG1	119 CYS HN	3.4
       126 TYR  CZ4	128 PRO HA	6.4
       126 TYR  HE3	128 PRO HG1	6.0
       126 TYR  HE3	128 PRO HG2	6.0
       127 THR  MG	128 PRO HD1	6.1
       127 THR  MG	128 PRO HD2	6.1
       127 THR  HB	128 PRO HD1	5.1
       127 THR  HB	128 PRO HD2	5.1
       128 PRO  HD1	129 LYS HN	6.0
       128 PRO  HD2	129 LYS HN	6.0
 
       121 GLU  HN	122 ARG HN	3.4
       122 ARG  HN	123 GLY HN	3.4
       120 GLY  HA1	122 ARG HN	5.1
       120 GLY  HA2	122 ARG HN	5.1
       121 GLU  HA	123 GLY HN	4.3
	

	 2 ILE  MG	126 TYR HE5	4.4
	 2 ILE  MG	126 TYR HD6	3.7
	 3 VAL  MG1	126 TYR HE5	3.7
      	 3 VAL  HA	111 LEU MD1	6.1
      	 3 VAL  HA	111 LEU MD2	6.1
	 7 CYS  HB1	107 CYS HN	6.0	 
   	 9 SER  HN	105 HIS HB2	6.0 
   	 9 SER  HA	105 HIS HD4	4.3
	10 ILE  HG1	105 HIS HN	6.0 
	10 ILE  HG2	105 HIS HN	6.0
	10 ILE  MD	104 GLN HA	4.4 
	10 ILE  HG1	104 GLN HA	6.0 
	10 ILE  HG2	104 GLN HA	6.0 
	10 ILE  MG	103 ASN HB1	5.4    
	10 ILE  MG	103 ASN HB2	5.4    
	10 ILE  MD	103 ASN HB2	4.4    
	10 ILE  MG	103 ASN HA	4.4    
	10 ILE  MD	105 HIS HD4	4.4
	10 ILE  HG1	105 HIS HE2	4.4
	10 ILE  HG2	105 HIS HE2	4.4
	13 LEU  MD1	101 PHE CG1	9.1
	13 LEU  MD2	101 PHE CG1	9.1
	13 LEU  HB1	101 PHE CG1	8.1
	13 LEU  HB2	101 PHE CG1	8.1
	13 LEU  MD2	118 VAL HB	7.0
	16 LEU  MD1	118 VAL HN	6.1
	16 LEU  MD2	118 VAL HN	6.1
	16 LEU  MD2	118 VAL MG2	4.7
	16 LEU  HB2	118 VAL MG2	5.3
	17 GLU  HG2	118 VAL MG1	5.3   
	19 TYR  HN	115 LEU MD2	5.3
	19 TYR  HB2	115 LEU HB1	6.0
	19 TYR  HB2	115 LEU HB2	6.0
	19 TYR  HB1	115 LEU MD2	5.1
	19 TYR  HB2	115 LEU MD2	5.1
	19 TYR  HE5	115 LEU MD1	4.4
	19 TYR  HD6	115 LEU MD2	3.7
	19 TYR  CZ4	115 LEU HA 	6.4
	20 CYS  HN	119 CYS HB1	4.4

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had 383 H/Q atoms
  Start of MODEL    1
    1   1H    GLY   1           HT1      GLY   1  -0.536   2.996  -9.200
    2   2H    GLY   1           HT3      GLY   1  -1.495   2.693 -10.562
    3   3H    GLY   1           HT2      GLY   1  -1.187   4.292 -10.086
    4   1HA   GLY   1           HA1      GLY   1  -2.998   4.271  -8.814
    5   2HA   GLY   1           HA2      GLY   1  -3.291   2.596  -9.296
    6    H    ILE   2           HN       ILE   2  -4.069   3.054  -6.871
    7    HA   ILE   2           HA       ILE   2  -2.736   3.231  -4.599
    8    HB   ILE   2           HB       ILE   2  -4.817   1.130  -5.340
    9   1HG1  ILE   2          HG12      ILE   2  -4.659   3.781  -3.835
   10   2HG1  ILE   2          HG11      ILE   2  -5.724   3.347  -5.139
   11   1HG2  ILE   2          HG22      ILE   2  -3.455   0.048  -3.509
   12   2HG2  ILE   2          HG21      ILE   2  -3.677   1.472  -2.517
   13   3HG2  ILE   2          HG23      ILE   2  -5.044   0.479  -2.934
   14   1HD1  ILE   2           HD2      ILE   2  -7.022   1.890  -3.517
   15   2HD1  ILE   2           HD1      ILE   2  -5.896   2.370  -2.259
   16   3HD1  ILE   2           HD3      ILE   2  -6.926   3.565  -3.005
   17    H    VAL   3           HN       VAL   3  -2.509   0.054  -6.330
   18    HA   VAL   3           HA       VAL   3  -0.223  -0.470  -4.491
   19    HB   VAL   3           HB       VAL   3  -0.342  -2.795  -5.238
   20   1HG1  VAL   3          HG12      VAL   3  -1.535  -2.204  -3.232
   21   2HG1  VAL   3          HG11      VAL   3  -2.963  -1.777  -4.140
   22   3HG1  VAL   3          HG13      VAL   3  -2.424  -3.441  -4.095
   23   1HG2  VAL   3          HG22      VAL   3  -2.861  -1.964  -6.803
   24   2HG2  VAL   3          HG21      VAL   3  -1.372  -2.559  -7.531
   25   3HG2  VAL   3          HG23      VAL   3  -2.348  -3.621  -6.559
   26    H    GLU   4           HN       GLU   4  -0.985  -0.726  -7.851
   27    HA   GLU   4           HA       GLU   4   1.134  -1.549  -9.258
   28   1HB   GLU   4           HB1      GLU   4  -0.307   1.072  -9.643
   29   2HB   GLU   4           HB2      GLU   4   0.795   0.411 -10.850
   30   1HG   GLU   4           HG2      GLU   4  -0.574  -1.667 -10.965
   31   2HG   GLU   4           HG1      GLU   4  -1.686  -1.023  -9.777
   32    H    GLN   5           HN       GLN   5   1.175   1.710  -7.927
   33    HA   GLN   5           HA       GLN   5   3.775   2.430  -8.751
   34   1HB   GLN   5           HB1      GLN   5   2.146   4.099  -7.850
   35   2HB   GLN   5           HB2      GLN   5   2.197   3.245  -6.309
   36   1HG   GLN   5           HG2      GLN   5   3.572   5.368  -6.301
   37   2HG   GLN   5           HG1      GLN   5   4.502   3.945  -5.884
   38   1HE2  GLN   5          HE21      GLN   5   5.163   4.997  -9.771
   39   2HE2  GLN   5          HE22      GLN   5   3.593   4.611  -9.234
   40    H    CYS   6           HN       CYS   6   2.855   1.222  -5.567
   41    HA   CYS   6           HA       CYS   6   5.633   1.046  -4.731
   42   1HB   CYS   6           HB1      CYS   6   3.143  -0.200  -3.587
   43   2HB   CYS   6           HB2      CYS   6   4.665  -0.133  -2.732
   44    H    CYS   7           HN       CYS   7   4.379  -0.554  -7.097
   45    HA   CYS   7           HA       CYS   7   5.530  -3.222  -6.303
   46   1HB   CYS   7           HB1      CYS   7   3.176  -3.468  -6.630
   47   2HB   CYS   7           HB2      CYS   7   3.223  -2.618  -8.153
   48    H    THR   8           HN       THR   8   4.868  -1.318  -9.188
   49    HA   THR   8           HA       THR   8   6.904  -2.725 -10.751
   50    HB   THR   8           HB       THR   8   4.678  -1.880 -11.734
   51    HG1  THR   8           HG1      THR   8   5.999  -2.006 -13.392
   52   1HG2  THR   8          HG22      THR   8   4.700   0.475 -10.637
   53   2HG2  THR   8          HG21      THR   8   6.074   0.847 -11.676
   54   3HG2  THR   8          HG23      THR   8   4.516   0.476 -12.380
   55    H    SER   9           HN       SER   9   6.555   0.211  -8.964
   56    HA   SER   9           HA       SER   9   9.418   0.922  -9.434
   57   1HB   SER   9           HB1      SER   9   7.174   2.947  -8.826
   58   2HB   SER   9           HB2      SER   9   8.831   3.281  -9.371
   59    HG   SER   9           HG1      SER   9   8.205   2.983 -11.322
   60    H    ILE  10           HN       ILE  10   9.403   2.849  -7.400
   61    HA   ILE  10           HA       ILE  10   8.837   1.193  -4.956
   62    HB   ILE  10           HB       ILE  10  11.021   3.281  -5.491
   63   1HG1  ILE  10          HG12      ILE  10  11.349   0.283  -5.058
   64   2HG1  ILE  10          HG11      ILE  10  11.244   1.002  -6.655
   65   1HG2  ILE  10          HG21      ILE  10  10.534   1.572  -3.018
   66   2HG2  ILE  10          HG23      ILE  10  11.909   2.629  -3.274
   67   3HG2  ILE  10          HG22      ILE  10  10.309   3.308  -3.133
   68   1HD1  ILE  10           HD2      ILE  10  13.190   2.436  -6.153
   69   2HD1  ILE  10           HD1      ILE  10  13.337   1.684  -4.574
   70   3HD1  ILE  10           HD3      ILE  10  13.580   0.727  -6.029
   71    H    CYS  11           HN       CYS  11   8.158   2.523  -3.101
   72    HA   CYS  11           HA       CYS  11   7.112   5.208  -3.897
   73   1HB   CYS  11           HB1      CYS  11   4.959   4.736  -3.061
   74   2HB   CYS  11           HB2      CYS  11   5.380   3.372  -4.043
   75    H    SER  12           HN       SER  12   6.222   6.302  -1.831
   76    HA   SER  12           HA       SER  12   8.200   5.847   0.368
   77   1HB   SER  12           HB1      SER  12   8.314   8.271   0.682
   78   2HB   SER  12           HB2      SER  12   8.513   7.975  -1.047
   79    HG   SER  12           HG1      SER  12   6.547   9.282   0.207
   80    H    LEU  13           HN       LEU  13   7.665   6.707   2.340
   81    HA   LEU  13           HA       LEU  13   5.638   5.555   3.724
   82   1HB   LEU  13           HB1      LEU  13   7.679   7.261   4.309
   83   2HB   LEU  13           HB2      LEU  13   6.339   8.365   4.549
   84    HG   LEU  13           HG       LEU  13   6.521   5.613   5.862
   85   1HD1  LEU  13          HD12      LEU  13   8.358   7.081   6.645
   86   2HD1  LEU  13          HD11      LEU  13   7.213   8.339   7.064
   87   3HD1  LEU  13          HD13      LEU  13   7.183   6.797   7.917
   88   1HD2  LEU  13          HD21      LEU  13   4.211   6.541   5.702
   89   2HD2  LEU  13          HD23      LEU  13   4.765   6.500   7.370
   90   3HD2  LEU  13          HD22      LEU  13   4.740   8.017   6.496
   91    OH   TYR  14           OH       TYR  14  -1.339  13.209   0.490
   92    H    TYR  14           HN       TYR  14   5.372   8.771   2.208
   93    HA   TYR  14           HA       TYR  14   2.598   9.111   3.042
   94   1HB   TYR  14           HB1      TYR  14   4.029  11.083   2.622
   95   2HB   TYR  14           HB2      TYR  14   4.217  10.624   0.940
   96    HD1  TYR  14           HD2      TYR  14   1.800  11.868   3.482
   97    HD2  TYR  14           HD1      TYR  14   2.366  10.951  -0.650
   98    HE1  TYR  14           HE2      TYR  14  -0.303  13.000   2.929
   99    HE2  TYR  14           HE1      TYR  14   0.275  12.071  -1.178
  100    HH   TYR  14           HH       TYR  14  -1.749  12.579  -0.107
  101    H    GLN  15           HN       GLN  15   4.153   8.249  -0.086
  102    HA   GLN  15           HA       GLN  15   1.905   8.092  -1.712
  103   1HB   GLN  15           HB1      GLN  15   4.281   6.186  -1.541
  104   2HB   GLN  15           HB2      GLN  15   3.132   6.146  -2.862
  105   1HG   GLN  15           HG2      GLN  15   3.589   8.585  -3.306
  106   2HG   GLN  15           HG1      GLN  15   4.780   8.581  -2.031
  107   1HE2  GLN  15          HE21      GLN  15   7.311   7.361  -4.056
  108   2HE2  GLN  15          HE22      GLN  15   6.789   8.071  -2.594
  109    H    LEU  16           HN       LEU  16   2.924   5.969   0.760
  110    HA   LEU  16           HA       LEU  16   0.950   3.866   0.417
  111   1HB   LEU  16           HB1      LEU  16   3.221   3.774   1.665
  112   2HB   LEU  16           HB2      LEU  16   2.461   4.659   2.962
  113    HG   LEU  16           HG       LEU  16   1.629   1.892   1.987
  114   1HD1  LEU  16          HD11      LEU  16   2.980   2.895   4.538
  115   2HD1  LEU  16          HD13      LEU  16   2.491   1.234   4.247
  116   3HD1  LEU  16          HD12      LEU  16   3.765   1.961   3.279
  117   1HD2  LEU  16          HD22      LEU  16   0.553   3.546   4.324
  118   2HD2  LEU  16          HD21      LEU  16  -0.353   3.162   2.867
  119   3HD2  LEU  16          HD23      LEU  16   0.115   1.885   3.965
  120    H    GLU  17           HN       GLU  17   1.376   6.226   3.054
  121    HA   GLU  17           HA       GLU  17  -0.861   6.341   4.438
  122   1HB   GLU  17           HB1      GLU  17   1.031   7.939   4.586
  123   2HB   GLU  17           HB2      GLU  17   0.441   8.787   3.178
  124   1HG   GLU  17           HG2      GLU  17  -1.155   8.587   5.758
  125   2HG   GLU  17           HG1      GLU  17  -0.101   9.928   5.355
  126    H    ASN  18           HN       ASN  18  -0.828   7.944   1.277
  127    HA   ASN  18           HA       ASN  18  -3.310   9.064   1.073
  128   1HB   ASN  18           HB1      ASN  18  -2.190   7.227  -1.109
  129   2HB   ASN  18           HB2      ASN  18  -3.419   8.456  -1.326
  130   1HD2  ASN  18          HD21      ASN  18   0.450   9.535  -1.126
  131   2HD2  ASN  18          HD22      ASN  18  -0.043   7.917  -1.021
  132    OH   TYR  19           OH       TYR  19   0.357   1.731  -1.760
  133    H    TYR  19           HN       TYR  19  -2.802   5.637   0.942
  134    HA   TYR  19           HA       TYR  19  -5.361   4.701   0.247
  135   1HB   TYR  19           HB1      TYR  19  -3.690   3.411   2.447
  136   2HB   TYR  19           HB2      TYR  19  -4.817   2.644   1.354
  137    HD1  TYR  19           HD2      TYR  19  -3.565   4.001  -1.306
  138    HD2  TYR  19           HD1      TYR  19  -1.958   1.896   2.053
  139    HE1  TYR  19           HE2      TYR  19  -1.681   3.264  -2.623
  140    HE2  TYR  19           HE1      TYR  19  -0.106   1.135   0.729
  141    HH   TYR  19           HH       TYR  19   0.054   1.658  -2.660
  142    H    CYS  20           HN       CYS  20  -3.942   5.254   3.381
  143    HA   CYS  20           HA       CYS  20  -5.696   4.779   5.304
  144   1HB   CYS  20           HB1      CYS  20  -3.509   6.059   5.497
  145   2HB   CYS  20           HB2      CYS  20  -4.351   7.510   5.074
  146    H    ASN  21           HN       ASN  21  -5.842   7.831   3.714
  147    HA   ASN  21           HA       ASN  21  -8.683   8.181   4.550
  148   1HB   ASN  21           HB1      ASN  21  -6.609  10.150   3.486
  149   2HB   ASN  21           HB2      ASN  21  -8.284  10.591   3.777
  150   1HD2  ASN  21          HD21      ASN  21  -5.731  10.410   6.896
  151   2HD2  ASN  21          HD22      ASN  21  -5.171  10.034   5.347
  152   1H    PHE   1           HT1      PHE  22  14.455   5.590   2.398
  153   2H    PHE   1           HT3      PHE  22  15.108   6.629   3.572
  154   3H    PHE   1           HT2      PHE  22  16.128   5.732   2.564
  155    HA   PHE   1           HA       PHE  22  16.181   4.113   4.000
  156   1HB   PHE   1           HB1      PHE  22  15.066   4.421   6.232
  157   2HB   PHE   1           HB2      PHE  22  16.019   5.783   5.694
  158    HD1  PHE   1           HD1      PHE  22  14.835   7.873   4.786
  159    HD2  PHE   1           HD2      PHE  22  12.717   4.678   6.690
  160    HE1  PHE   1           HE1      PHE  22  12.931   9.345   5.152
  161    HE2  PHE   1           HE2      PHE  22  10.821   6.178   7.052
  162    HZ   PHE   1           HZ       PHE  22  10.927   8.517   6.281
  163    H    VAL   2           HN       VAL  23  12.757   4.982   3.461
  164    HA   VAL   2           HA       VAL  23  12.148   2.036   3.494
  165    HB   VAL   2           HB       VAL  23  11.222   3.428   5.287
  166   1HG1  VAL   2          HG12      VAL  23  10.725   5.588   4.116
  167   2HG1  VAL   2          HG11      VAL  23   9.467   4.783   3.184
  168   3HG1  VAL   2          HG13      VAL  23   9.300   4.943   4.914
  169   1HG2  VAL   2          HG21      VAL  23  10.091   1.343   4.693
  170   2HG2  VAL   2          HG23      VAL  23   8.891   2.539   5.141
  171   3HG2  VAL   2          HG22      VAL  23   9.163   2.178   3.446
  172    H    ASN   3           HN       ASN  24  13.197   2.645   1.472
  173    HA   ASN   3           HA       ASN  24  11.179   3.120  -0.712
  174   1HB   ASN   3           HB1      ASN  24  14.206   3.559  -0.858
  175   2HB   ASN   3           HB2      ASN  24  13.026   4.024  -2.071
  176   1HD2  ASN   3          HD21      ASN  24  12.457   7.144  -0.604
  177   2HD2  ASN   3          HD22      ASN  24  12.342   6.114  -1.948
  178    H    GLN   4           HN       GLN  25  10.658   0.835  -0.492
  179    HA   GLN   4           HA       GLN  25  12.519  -0.964  -1.947
  180   1HB   GLN   4           HB1      GLN  25  12.593  -1.357   0.517
  181   2HB   GLN   4           HB2      GLN  25  10.873  -1.617   0.535
  182   1HG   GLN   4           HG2      GLN  25  11.117  -3.653  -0.791
  183   2HG   GLN   4           HG1      GLN  25  12.813  -3.305  -1.133
  184   1HE2  GLN   4          HE21      GLN  25  13.944  -4.522   1.997
  185   2HE2  GLN   4          HE22      GLN  25  14.337  -3.618   0.618
  186    H    HIS   5           HN       HIS  26  11.079  -3.012  -2.531
  187    HA   HIS   5           HA       HIS  26   8.584  -1.979  -3.833
  188   1HB   HIS   5           HB1      HIS  26  10.082  -4.565  -4.496
  189   2HB   HIS   5           HB2      HIS  26   8.881  -3.748  -5.487
  190    HD1  HIS   5           HD1      HIS  26  12.426  -3.353  -4.395
  191    HD2  HIS   5           HD2      HIS  26   9.882  -1.656  -7.109
  192    HE1  HIS   5           HE1      HIS  26  13.809  -1.915  -5.849
  193    H    LEU   6           HN       LEU  27   6.730  -2.722  -3.169
  194    HA   LEU   6           HA       LEU  27   6.397  -5.050  -1.299
  195   1HB   LEU   6           HB1      LEU  27   5.008  -2.330  -1.375
  196   2HB   LEU   6           HB2      LEU  27   4.504  -3.609  -0.324
  197    HG   LEU   6           HG       LEU  27   5.667  -2.021   0.976
  198   1HD1  LEU   6          HD11      LEU  27   7.624  -4.296   0.608
  199   2HD1  LEU   6          HD13      LEU  27   7.670  -3.120   1.898
  200   3HD1  LEU   6          HD12      LEU  27   6.296  -4.184   1.763
  201   1HD2  LEU   6          HD21      LEU  27   6.870  -0.701  -0.658
  202   2HD2  LEU   6          HD23      LEU  27   7.961  -1.191   0.633
  203   3HD2  LEU   6          HD22      LEU  27   8.035  -1.988  -0.914
  204    H    CYS   7           HN       CYS  28   6.094  -6.193  -3.454
  205    HA   CYS   7           HA       CYS  28   3.266  -5.732  -4.418
  206   1HB   CYS   7           HB1      CYS  28   5.399  -5.593  -6.061
  207   2HB   CYS   7           HB2      CYS  28   5.216  -7.332  -6.026
  208    H    GLY   8           HN       GLY  29   2.227  -7.779  -5.189
  209   1HA   GLY   8           HA1      GLY  29   1.808 -10.116  -4.998
  210   2HA   GLY   8           HA2      GLY  29   3.201 -10.273  -3.941
  211    H    SER   9           HN       SER  30   2.965  -9.337  -1.838
  212    HA   SER   9           HA       SER  30   0.177  -9.265  -0.779
  213   1HB   SER   9           HB1      SER  30   0.991 -10.586   1.207
  214   2HB   SER   9           HB2      SER  30   1.213 -11.484  -0.305
  215    HG   SER   9           HG1      SER  30   3.086 -11.023   1.291
  216    H    HIS  10           HN       HIS  31   3.454  -8.216  -0.261
  217    HA   HIS  10           HA       HIS  31   3.518  -6.922   2.068
  218   1HB   HIS  10           HB1      HIS  31   4.503  -6.069  -0.643
  219   2HB   HIS  10           HB2      HIS  31   4.954  -5.216   0.835
  220    HD1  HIS  10           HD1      HIS  31   5.489  -7.349   2.732
  221    HD2  HIS  10           HD2      HIS  31   6.602  -7.833  -1.158
  222    HE1  HIS  10           HE1      HIS  31   7.244  -9.080   2.738
  223    H    LEU  11           HN       LEU  32   1.822  -5.340  -0.676
  224    HA   LEU  11           HA       LEU  32   1.303  -2.929   0.844
  225   1HB   LEU  11           HB1      LEU  32   0.131  -4.088  -1.684
  226   2HB   LEU  11           HB2      LEU  32  -0.437  -2.550  -1.033
  227    HG   LEU  11           HG       LEU  32   2.522  -3.072  -1.432
  228   1HD1  LEU  11          HD12      LEU  32   1.303  -3.464  -3.607
  229   2HD1  LEU  11          HD11      LEU  32   0.576  -1.881  -3.419
  230   3HD1  LEU  11          HD13      LEU  32   2.309  -2.039  -3.687
  231   1HD2  LEU  11          HD21      LEU  32   1.819  -1.078  -0.063
  232   2HD2  LEU  11          HD23      LEU  32   2.578  -0.588  -1.553
  233   3HD2  LEU  11          HD22      LEU  32   0.837  -0.515  -1.398
  234    H    VAL  12           HN       VAL  33  -0.919  -5.492  -0.180
  235    HA   VAL  12           HA       VAL  33  -3.257  -4.715   1.050
  236    HB   VAL  12           HB       VAL  33  -2.118  -7.560   1.090
  237   1HG1  VAL  12          HG11      VAL  33  -5.050  -6.600   1.149
  238   2HG1  VAL  12          HG13      VAL  33  -4.529  -8.267   1.047
  239   3HG1  VAL  12          HG12      VAL  33  -4.216  -7.351   2.497
  240   1HG2  VAL  12          HG22      VAL  33  -3.787  -6.113  -1.020
  241   2HG2  VAL  12          HG21      VAL  33  -2.096  -6.544  -1.187
  242   3HG2  VAL  12          HG23      VAL  33  -3.313  -7.805  -1.090
  243    H    GLU  13           HN       GLU  34  -0.504  -6.146   2.490
  244    HA   GLU  13           HA       GLU  34  -1.505  -6.315   5.216
  245   1HB   GLU  13           HB1      GLU  34   1.257  -6.624   3.968
  246   2HB   GLU  13           HB2      GLU  34   0.957  -6.928   5.661
  247   1HG   GLU  13           HG2      GLU  34  -0.430  -8.382   3.346
  248   2HG   GLU  13           HG1      GLU  34   0.844  -9.044   4.325
  249    H    ALA  14           HN       ALA  35   0.972  -4.304   3.618
  250    HA   ALA  14           HA       ALA  35   1.836  -2.638   5.599
  251   1HB   ALA  14           HB1      ALA  35   0.954  -1.745   2.805
  252   2HB   ALA  14           HB3      ALA  35   2.060  -0.846   3.832
  253   3HB   ALA  14           HB2      ALA  35   2.522  -2.409   3.194
  254    H    LEU  15           HN       LEU  36  -1.092  -2.320   3.819
  255    HA   LEU  15           HA       LEU  36  -2.204   0.005   4.878
  256   1HB   LEU  15           HB1      LEU  36  -3.480  -2.624   3.968
  257   2HB   LEU  15           HB2      LEU  36  -4.466  -1.270   4.460
  258    HG   LEU  15           HG       LEU  36  -2.201  -0.792   2.479
  259   1HD1  LEU  15          HD12      LEU  36  -3.530  -2.672   1.486
  260   2HD1  LEU  15          HD11      LEU  36  -4.970  -1.704   1.661
  261   3HD1  LEU  15          HD13      LEU  36  -3.683  -1.157   0.596
  262   1HD2  LEU  15          HD22      LEU  36  -4.947   0.379   2.976
  263   2HD2  LEU  15          HD21      LEU  36  -3.417   1.123   3.445
  264   3HD2  LEU  15          HD23      LEU  36  -3.828   0.909   1.747
  265    OH   TYR  16           OH       TYR  37  -0.613  -6.257  13.274
  266    H    TYR  16           HN       TYR  37  -2.718  -3.303   6.138
  267    HA   TYR  16           HA       TYR  37  -4.075  -2.749   8.515
  268   1HB   TYR  16           HB1      TYR  37  -3.905  -5.049   8.267
  269   2HB   TYR  16           HB2      TYR  37  -2.333  -5.007   7.526
  270    HD1  TYR  16           HD1      TYR  37  -4.048  -4.614  10.826
  271    HD2  TYR  16           HD2      TYR  37  -0.443  -5.627   8.801
  272    HE1  TYR  16           HE1      TYR  37  -3.063  -5.301  12.943
  273    HE2  TYR  16           HE2      TYR  37   0.559  -6.315  10.948
  274    HH   TYR  16           HH       TYR  37  -1.315  -6.456  13.897
  275    H    LEU  17           HN       LEU  38  -0.637  -2.897   7.977
  276    HA   LEU  17           HA       LEU  38   0.266  -2.248  10.583
  277   1HB   LEU  17           HB1      LEU  38   1.565  -3.224   8.582
  278   2HB   LEU  17           HB2      LEU  38   1.697  -1.592   7.979
  279    HG   LEU  17           HG       LEU  38   2.986  -0.893   9.973
  280   1HD1  LEU  17          HD11      LEU  38   2.817  -3.838  10.802
  281   2HD1  LEU  17          HD13      LEU  38   3.815  -2.605  11.565
  282   3HD1  LEU  17          HD12      LEU  38   2.063  -2.510  11.663
  283   1HD2  LEU  17          HD22      LEU  38   4.032  -3.430   8.619
  284   2HD2  LEU  17          HD21      LEU  38   4.175  -1.815   7.961
  285   3HD2  LEU  17          HD23      LEU  38   5.036  -2.238   9.430
  286    H    VAL  18           HN       VAL  39  -0.578  -0.098   7.897
  287    HA   VAL  18           HA       VAL  39   0.015   2.297   9.583
  288    HB   VAL  18           HB       VAL  39  -0.496   2.044   6.580
  289   1HG1  VAL  18          HG11      VAL  39   0.524   4.437   8.195
  290   2HG1  VAL  18          HG13      VAL  39   0.396   4.368   6.448
  291   3HG1  VAL  18          HG12      VAL  39  -1.055   4.322   7.419
  292   1HG2  VAL  18          HG22      VAL  39   2.115   2.374   8.149
  293   2HG2  VAL  18          HG21      VAL  39   1.609   0.933   7.276
  294   3HG2  VAL  18          HG23      VAL  39   1.983   2.392   6.400
  295    H    CYS  19           HN       CYS  40  -2.510   1.956   7.036
  296    HA   CYS  19           HA       CYS  40  -4.556   2.594   9.127
  297   1HB   CYS  19           HB1      CYS  40  -4.296   3.952   6.478
  298   2HB   CYS  19           HB2      CYS  40  -5.579   4.218   7.637
  299    H    GLY  20           HN       GLY  41  -4.881   0.216   8.683
  300   1HA   GLY  20           HA1      GLY  41  -5.730  -1.342   6.790
  301   2HA   GLY  20           HA2      GLY  41  -6.808  -1.126   8.148
  302    H    GLU  21           HN       GLU  42  -6.464  -0.800   4.777
  303    HA   GLU  21           HA       GLU  42  -9.115   0.598   4.601
  304   1HB   GLU  21           HB1      GLU  42  -6.811   1.695   3.727
  305   2HB   GLU  21           HB2      GLU  42  -7.045   0.615   2.372
  306   1HG   GLU  21           HG2      GLU  42  -7.969   2.694   1.733
  307   2HG   GLU  21           HG1      GLU  42  -9.321   1.642   2.035
  308    NH1  ARG  22           NH2      ARG  43  -4.699  -4.649   5.900
  309    NH2  ARG  22           NH1      ARG  43  -4.338  -6.913   5.947
  310    H    ARG  22           HN       ARG  43  -8.744  -2.164   5.036
  311    HA   ARG  22           HA       ARG  43  -9.513  -3.396   2.410
  312   1HB   ARG  22           HB1      ARG  43  -8.687  -5.516   3.309
  313   2HB   ARG  22           HB2      ARG  43  -7.477  -4.245   3.410
  314   1HG   ARG  22           HG2      ARG  43  -7.764  -3.940   5.751
  315   2HG   ARG  22           HG1      ARG  43  -9.227  -4.880   5.813
  316   1HD   ARG  22           HD2      ARG  43  -7.287  -6.120   6.728
  317   2HD   ARG  22           HD1      ARG  43  -7.989  -6.953   5.339
  318    HE   ARG  22           HE       ARG  43  -6.130  -6.100   3.966
  319   1HH1  ARG  22          HH22      ARG  43  -5.290  -3.893   5.615
  320   2HH1  ARG  22          HH21      ARG  43  -3.851  -4.471   6.398
  321   1HH2  ARG  22          HH12      ARG  43  -4.650  -7.829   5.701
  322   2HH2  ARG  22          HH11      ARG  43  -3.485  -6.801   6.453
  323    H    GLY  23           HN       GLY  44 -11.267  -2.015   3.793
  324   1HA   GLY  23           HA1      GLY  44 -13.105  -4.002   5.113
  325   2HA   GLY  23           HA2      GLY  44 -13.226  -2.245   5.290
  326    H    SER  24           HN       SER  45 -14.300  -1.107   3.810
  327    HA   SER  24           HA       SER  45 -15.618  -2.549   1.524
  328   1HB   SER  24           HB1      SER  45 -17.224  -1.824   3.365
  329   2HB   SER  24           HB2      SER  45 -16.682  -0.155   3.148
  330    HG   SER  24           HG1      SER  45 -17.265  -1.352   0.785
  331    H    PHE  25           HN       PHE  46 -13.020  -1.223   1.804
  332    HA   PHE  25           HA       PHE  46 -13.261   1.070  -0.107
  333   1HB   PHE  25           HB1      PHE  46 -11.096   0.424   1.923
  334   2HB   PHE  25           HB2      PHE  46 -10.948   1.672   0.695
  335    HD1  PHE  25           HD1      PHE  46 -13.116   3.360   0.756
  336    HD2  PHE  25           HD2      PHE  46 -11.519   1.175   4.036
  337    HE1  PHE  25           HE1      PHE  46 -14.043   5.023   2.322
  338    HE2  PHE  25           HE2      PHE  46 -12.438   2.825   5.597
  339    HZ   PHE  25           HZ       PHE  46 -13.705   4.762   4.730
  340    OH   TYR  26           OH       TYR  47  -4.967  -2.584  -5.351
  341    H    TYR  26           HN       TYR  47 -10.224  -0.354   0.562
  342    HA   TYR  26           HA       TYR  47 -10.024  -1.473  -2.173
  343   1HB   TYR  26           HB1      TYR  47  -8.675   0.615  -1.670
  344   2HB   TYR  26           HB2      TYR  47  -7.823  -0.264  -0.406
  345    HD1  TYR  26           HD2      TYR  47  -8.551  -0.153  -4.011
  346    HD2  TYR  26           HD1      TYR  47  -6.040  -1.880  -1.038
  347    HE1  TYR  26           HE2      TYR  47  -7.116  -1.103  -5.757
  348    HE2  TYR  26           HE1      TYR  47  -4.631  -2.836  -2.780
  349    HH   TYR  26           HH       TYR  47  -4.442  -3.271  -4.933
  350    H    THR  27           HN       THR  48 -10.917  -3.255  -1.369
  351    HA   THR  27           HA       THR  48  -9.231  -5.013   0.375
  352    HB   THR  27           HB       THR  48 -11.353  -4.391   1.473
  353    HG1  THR  27           HG1      THR  48 -10.608  -6.623   1.469
  354   1HG2  THR  27          HG21      THR  48 -12.742  -5.502  -1.022
  355   2HG2  THR  27          HG23      THR  48 -13.520  -4.891   0.439
  356   3HG2  THR  27          HG22      THR  48 -12.652  -3.800  -0.612
  357    HA   PRO  28           HA       PRO  49  -9.928  -6.726  -3.932
  358   1HB   PRO  28           HB1      PRO  49  -7.724  -6.240  -5.268
  359   2HB   PRO  28           HB2      PRO  49  -8.705  -4.847  -4.766
  360   1HG   PRO  28           HG2      PRO  49  -6.311  -6.089  -3.260
  361   2HG   PRO  28           HG1      PRO  49  -6.466  -4.422  -3.803
  362   1HD   PRO  28           HD1      PRO  49  -7.246  -5.239  -1.243
  363   2HD   PRO  28           HD2      PRO  49  -8.067  -3.927  -2.121
  364    H    LYS  29           HN       LYS  50  -8.695  -8.368  -5.245
  365    HA   LYS  29           HA       LYS  50  -7.078 -10.274  -3.604
  366   1HB   LYS  29           HB1      LYS  50  -9.390 -10.934  -5.490
  367   2HB   LYS  29           HB2      LYS  50  -8.327 -12.138  -4.809
  368   1HG   LYS  29           HG2      LYS  50 -10.191 -12.261  -3.413
  369   2HG   LYS  29           HG1      LYS  50  -9.108 -11.256  -2.487
  370   1HD   LYS  29           HD2      LYS  50 -10.573  -9.477  -2.532
  371   2HD   LYS  29           HD1      LYS  50 -10.791  -9.600  -4.270
  372   1HE   LYS  29           HE2      LYS  50 -12.172 -11.423  -2.267
  373   2HE   LYS  29           HE1      LYS  50 -12.917  -9.989  -2.952
  374   1HZ   LYS  29           HZ1      LYS  50 -11.834 -11.507  -5.040
  375   2HZ   LYS  29           HZ3      LYS  50 -12.751 -12.544  -4.050
  376   3HZ   LYS  29           HZ2      LYS  50 -13.463 -11.154  -4.714
  377    H    THR  30           HN       THR  51  -6.105 -11.939  -5.247
  378    HA   THR  30           HA       THR  51  -5.383 -10.564  -7.808
  379    HB   THR  30           HB       THR  51  -3.348 -12.028  -6.025
  380    HG1  THR  30           HG1      THR  51  -3.593 -10.195  -4.972
  381   1HG2  THR  30          HG22      THR  51  -2.867 -11.749  -8.558
  382   2HG2  THR  30          HG21      THR  51  -3.082 -10.016  -8.324
  383   3HG2  THR  30          HG23      THR  51  -1.760 -10.858  -7.531