*HEADER    VIRUS/VIRAL PROTEIN                     10-NOV-03   1RFO              
*TITLE     TRIMERIC FOLDON OF THE T4 PHAGEHEAD FIBRITIN                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: WHISKER ANTIGEN CONTROL PROTEIN;                           
*COMPND   3 CHAIN: A, B, C;                                                      
*COMPND   4 FRAGMENT: TRIMERIZATION DOMAIN (RESIDUES 457-483);                   
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4;                        
*SOURCE   3 GENE: WAC;                                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET32A                                    
*KEYWDS    BETA HAIRPIN, TRIMER                                                  
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    S.GUTHE, L.KAPINOS, A.MOGLICH, S.MEIER, T.KIEFHABER,                  
*AUTHOR   2 S.GRZESIEK                                                           
*REVDAT   1   30-MAR-04 1RFO    0                                                
--------------------------------
assign (resid 1 and name HA#) (resid 2 and name HA) 3.070 1.270 0.889

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assign (resid 2 and name HA) (resid 3 and name HG11) 3.125 1.325 1.9275

assign (resid 2 and name HA) (resid 3 and name HG1#) 3.050 1.250 0.875

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assign (resid 2 and name HB#) (resid 104 and name HA) 3.065 1.265 0.8855

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assign (resid 3 and name HN) (resid 3 and name HG11) 2.780 0.980 0.686

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assign (resid 3 and name HA) (resid 3 and name HG11) 2.955 1.155 0.8085

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assign (resid 3 and name HG2#) (resid 105 and name HA) 2.595 0.795 0.5565

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assign (resid 3 and name HG2#) (resid 105 and name HB#) 2.930 1.130 0.791

assign (resid 3 and name HG2#) (resid 106 and name HN) 3.550 1.750 1.225

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assign (resid 5 and name HA) (resid 6 and name HN) 2.655 0.855 0.5985

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assign (resid 5 and name HA) (resid 53 and name HG2#) 2.595 0.795 0.5565

assign (resid 5 and name HA) (resid 53 and name HG12) 3.035 1.235 0.8645

assign (resid 5 and name HA) (resid 53 and name HG11) 3.035 1.235 0.8645

assign (resid 5 and name HA) (resid 53 and name HD1#) 2.580 0.780 0.546

assign (resid 5 and name HB2) (resid 53 and name HG2#) 3.030 1.230 0.861

assign (resid 5 and name HB1) (resid 53 and name HG2#) 3.030 1.230 0.861

assign (resid 5 and name HB#) (resid 53 and name HG2#) 2.930 1.130 0.791

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assign (resid 5 and name HG1) (resid 6 and name HN) 3.080 1.280 0.896

assign (resid 5 and name HG1) (resid 6 and name HB#) 2.960 1.160 0.812

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assign (resid 5 and name HG#) (resid 7 and name HA) 3.655 1.855 1.2985

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assign (resid 6 and name HA) (resid 7 and name HD1) 2.715 0.915 0.6405

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assign (resid 6 and name HA) (resid 20 and name HE1) 2.960 1.160 0.812

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assign (resid 6 and name HB#) (resid 13 and name HB2) 2.920 1.120 0.784

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assign (resid 6 and name HB#) (resid 65 and name HG2) 2.675 0.875 1.6125

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assign (resid 7 and name HG#) (resid 13 and name HE1) 3.095 1.295 0.9065

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assign (resid 8 and name HA) (resid 67 and name HA) 2.570 0.770 0.539

assign (resid 8 and name HA) (resid 67 and name HB#) 3.720 1.920 1.344

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assign (resid 8 and name HB1) (resid 67 and name HA) 3.195 1.395 0.9765

assign (resid 8 and name HB#) (resid 8 and name HD#) 2.735 0.935 0.6545

assign (resid 8 and name HB#) (resid 9 and name HA) 3.650 1.850 1.295

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assign (resid 8 and name HG#) (resid 67 and name HA) 2.860 1.060 0.742

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assign (resid 8 and name HD#) (resid 67 and name HA) 2.850 1.050 0.735

assign (resid 8 and name HD#) (resid 68 and name HA1) 3.055 1.255 0.8785

assign (resid 8 and name HD#) (resid 68 and name HA2) 3.055 1.255 0.8785

assign (resid 8 and name HD#) (resid 68 and name HA#) 2.975 1.175 0.8225

assign (resid 9 and name HN) (resid 10 and name HN) 2.535 0.735 0.5145

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assign (resid 9 and name HN) (resid 67 and name HA) 3.230 1.430 1.001

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assign (resid 10 and name HA2) (resid 66 and name HE1) 3.190 1.390 0.973

assign (resid 10 and name HA#) (resid 66 and name HG#) 3.530 1.730 1.211

assign (resid 10 and name HA#) (resid 66 and name HD#) 3.125 1.325 0.9275

assign (resid 10 and name HA#) (resid 66 and name HE2) 2.920 1.120 0.784

assign (resid 10 and name HA#) (resid 66 and name HE1) 2.920 1.120 0.784

assign (resid 10 and name HA#) (resid 66 and name HE#) 2.950 1.150 0.805

assign (resid 11 and name HN) (resid 11 and name HG#) 3.820 2.020 1.414

assign (resid 11 and name HN) (resid 12 and name HN) 3.110 1.310 1.917

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assign (resid 11 and name HA) (resid 11 and name HG2) 2.865 1.065 0.7455

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assign (resid 11 and name HA) (resid 12 and name HN) 2.550 0.750 0.525

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assign (resid 11 and name HB2) (resid 13 and name HE1) 3.055 1.255 0.8785

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assign (resid 11 and name HB1) (resid 12 and name HN) 2.965 1.165 0.8155

assign (resid 11 and name HB1) (resid 13 and name HE1) 3.055 1.255 0.8785

assign (resid 11 and name HB1) (resid 22 and name HD1#) 3.840 2.040 1.428

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assign (resid 11 and name HB#) (resid 22 and name HD#) 2.870 1.070 0.749

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assign (resid 11 and name HG1) (resid 22 and name HD1#) 3.885 2.085 1.4595

assign (resid 11 and name HG1) (resid 22 and name HD2#) 3.885 2.085 1.4595

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assign (resid 12 and name HA) (resid 13 and name HN) 2.600 0.800 0.56

assign (resid 12 and name HA) (resid 13 and name HB#) 3.095 1.295 0.9065

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assign (resid 12 and name HA) (resid 64 and name HG##) 3.760 1.960 1.372

assign (resid 12 and name HA) (resid 66 and name HB#) 2.615 0.815 0.5705

assign (resid 12 and name HA) (resid 66 and name HD#) 2.870 1.070 0.749

assign (resid 12 and name HB#) (resid 23 and name HN) 3.825 2.025 1.4175

assign (resid 12 and name HB#) (resid 23 and name HB2) 2.805 1.005 0.7035

assign (resid 12 and name HB#) (resid 23 and name HB1) 2.805 1.005 0.7035

assign (resid 12 and name HB#) (resid 23 and name HB#) 2.590 0.790 0.553

assign (resid 12 and name HB#) (resid 64 and name HB) 2.760 0.960 0.672

assign (resid 12 and name HB#) (resid 64 and name HG##) 2.605 0.805 0.5635

assign (resid 12 and name HB#) (resid 66 and name HD#) 2.750 0.950 1.365

assign (resid 12 and name HB#) (resid 66 and name HE#) 4.160 2.360 1.652

assign (resid 12 and name HB#) (resid 76 and name HB#) 3.530 1.730 1.211

assign (resid 12 and name HB#) (resid 76 and name HD#) 2.915 1.115 0.7805

assign (resid 12 and name HB#) (resid 76 and name HE#) 2.730 0.930 0.651

assign (resid 12 and name HB#) (resid 76 and name HZ) 2.760 0.960 0.672

assign (resid 13 and name HN) (resid 13 and name HD1) 3.005 1.205 0.8435

assign (resid 13 and name HN) (resid 14 and name HG##) 5.075 3.275 2.2925

assign (resid 13 and name HN) (resid 65 and name HN) 3.025 1.225 0.8575

assign (resid 13 and name HA) (resid 13 and name HD1) 3.075 1.275 0.8925

assign (resid 13 and name HA) (resid 13 and name HE2) 3.240 1.440 1.008

assign (resid 13 and name HA) (resid 13 and name HD2) 2.935 1.135 0.7945

assign (resid 13 and name HA) (resid 14 and name HN) 2.595 0.795 0.5565

assign (resid 13 and name HA) (resid 14 and name HB) 3.220 1.420 1.420

assign (resid 13 and name HA) (resid 14 and name HG##) 3.595 1.795 1.2565

assign (resid 13 and name HA) (resid 20 and name HA) 3.250 1.450 2.015

assign (resid 13 and name HA) (resid 22 and name HA) 2.675 0.875 0.6125

assign (resid 13 and name HA) (resid 22 and name HB#) 3.010 1.210 1.547

assign (resid 13 and name HA) (resid 22 and name HD#) 3.765 1.965 1.3755

assign (resid 13 and name HA) (resid 23 and name HN) 2.785 0.985 0.6895

assign (resid 13 and name HA) (resid 64 and name HG##) 3.705 1.905 1.3335

assign (resid 13 and name HB2) (resid 14 and name HN) 3.150 1.350 0.945

assign (resid 13 and name HB2) (resid 20 and name HA) 3.185 1.385 0.9695

assign (resid 13 and name HB2) (resid 20 and name HB2) 4.040 2.240 1.568

assign (resid 13 and name HB2) (resid 20 and name HB1) 4.040 2.240 1.568

assign (resid 13 and name HB2) (resid 20 and name HB#) 2.950 1.150 0.805

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assign (resid 13 and name HB2) (resid 65 and name HB2) 3.110  1.310 1.310

assign (resid 13 and name HB2) (resid 65 and name HB1) 3.110  1.310 1.310

assign (resid 13 and name HB1) (resid 14 and name HN) 3.150 1.350 0.945

assign (resid 13 and name HB1) (resid 20 and name HA) 3.185 1.385 0.9695

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assign (resid 13 and name HB1) (resid 20 and name HB1) 4.040 2.240 1.568

assign (resid 13 and name HB1) (resid 20 and name HB#) 2.950 1.150 0.805

assign (resid 13 and name HB1) (resid 20 and name HE3) 3.240 1.440 1.008

assign (resid 13 and name HB1) (resid 20 and name HZ3) 3.190 1.390 0.973

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assign (resid 15 and name HG1) (resid 120 and name HH2) 3.185 1.385 0.9695

assign (resid 15 and name HG#) (resid 20 and name HA) 3.365 1.565 1.0955

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assign (resid 15 and name HD1) (resid 20 and name HA) 3.035 1.235 1.5645

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assign (resid 15 and name HD#) (resid 20 and name HA) 2.930 1.130 0.791

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assign (resid 16 and name HD#) (resid 112 and name HB#) 2.750 0.950 1.365

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assign (resid 20 and name HA) (resid 21 and name HA) 3.080 1.280 1.896

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assign (resid 23 and name HD#) (resid 73 and name HA) 3.650 1.850 1.295

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assign (resid 23 and name HD#) (resid 76 and name HA) 3.900 2.100 1.47

assign (resid 23 and name HD#) (resid 76 and name HB#) 3.905 2.105 1.4735

assign (resid 23 and name HD#) (resid 76 and name HD#) 3.550 1.750 1.225

assign (resid 23 and name HD#) (resid 114 and name HG##) 4.005 2.205 1.5435

assign (resid 23 and name HD#) (resid 126 and name HB#) 3.605 1.805 1.2635

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assign (resid 24 and name HA) (resid 27 and name HN) 3.005 1.205 0.8435

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assign (resid 26 and name HN) (resid 27 and name HN) 2.690 0.890 0.623

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assign (resid 26 and name HB2) (resid 77 and name HD2#) 4.455 2.655 2.3585

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assign (resid 26 and name HB1) (resid 77 and name HD1#) 4.455 2.655 1.8585

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assign (resid 27 and name HA) (resid 127 and name HD#) 2.530 0.730 0.511

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assign (resid 27 and name HD1#) (resid 76 and name HA) 2.925 1.125 1.7875

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assign (resid 27 and name HD1#) (resid 77 and name HA) 2.940 1.140 0.798

assign (resid 27 and name HD1#) (resid 126 and name HB2) 4.455 2.655 2.3585

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assign (resid 27 and name HD2#) (resid 76 and name HA) 2.925 1.125 1.7875

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assign (resid 27 and name HD2#) (resid 77 and name HA) 2.940 1.140 0.798

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assign (resid 27 and name HD#) (resid 77 and name HN) 4.075 2.275 1.5925

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assign (resid 53 and name HN) (resid 53 and name HG12) 2.780 0.980 0.686

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assign (resid 53 and name HA) (resid 53 and name HG11) 2.955 1.155 0.8085

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assign (resid 53 and name HB) (resid 53 and name HD1#) 2.530 0.730 0.511

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assign (resid 53 and name HB) (resid 70 and name HZ2) 3.055 1.255 0.8785

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assign (resid 53 and name HG2#) (resid 53 and name HG11) 2.585 0.785 0.5495

assign (resid 53 and name HG2#) (resid 53 and name HG1#) 2.495 0.695 0.4865

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assign (resid 53 and name HG12) (resid 54 and name HD2) 3.275 1.475 2.0325

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assign (resid 53 and name HG11) (resid 54 and name HD2) 3.275 1.475 2.0325

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assign (resid 53 and name HG1#) (resid 54 and name HD#) 3.145 1.345 0.9415

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assign (resid 53 and name HD1#) (resid 70 and name HE1) 3.305 1.505 1.0535

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assign (resid 54 and name HA) (resid 55 and name HN) 2.645 0.845 0.5915

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assign (resid 54 and name HD#) (resid 102 and name HE#) 3.655 1.855 1.2985

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assign (resid 55 and name HN) (resid 55 and name HG#) 3.650 1.850 1.295

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assign (resid 55 and name HA) (resid 56 and name HN) 2.655 0.855 0.5985

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assign (resid 62 and name HA) (resid 116 and name HD#) 2.870 1.070 0.749

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assign (resid 108 and name HB#) (resid 109 and name HA) 3.650 1.850 1.295

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assign (resid 123 and name HG) (resid 124 and name HA) 3.000 1.200 0.84

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assign (resid 124 and name HN) (resid 125 and name HN) 2.860 1.060 0.742

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assign (resid 125 and name HN) (resid 125 and name HB) 2.755 0.955 0.6685

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assign (resid 125 and name HG2#) (resid 126 and name HZ) 3.015 1.215 1.5505

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assign (resid 126 and name HN) (resid 127 and name HN) 2.690 0.890 0.623

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assign (resid 127 and name HA) (resid 127 and name HG) 2.860 1.060 0.742

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assign (resid 125 and name HB) (resid 126 and name HD1) 2.910 1.110 0.777

assign (resid 125 and name HB) (resid 126 and name HE1) 2.915 1.115 0.7805

assign (resid 125 and name HG2#) (resid 126 and name HD1) 3.040 1.240 0.868

assign (resid 125 and name HG2#) (resid 126 and name HE1) 2.970 1.170 0.819

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assign (resid 2 and name HE1) (resid 102 and name HB#) 2.945 1.145 0.8015

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assign (resid 52 and name HD2) (resid 4 and name HB#) 4.950 3.150 2.205

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assign (resid 52 and name HE1) (resid 2 and name HB#) 2.945 1.145 0.8015

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assign (resid 52 and name HE2) (resid 4 and name HD#) 3.655 1.855 1.2985

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assign (resid 102 and name HE1) (resid 52 and name HB#) 2.945 1.145 0.8015

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assign (resid 102 and name HE2) (resid 54 and name HD#) 3.655 1.855 1.2985

assign (resid   2   and name  HN)  (resid      2   and name  HB1 )    3.42256  0.486768  0.486768

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assign (resid   2   and name  HN)  (resid      1   and name  HA# )    2.79955  0.299865  0.299865

assign (resid   2   and name  HN)  (resid      2   and name  HD# )    3.21288  0.423864  0.423864

assign (resid   2   and name  HN)  (resid      2   and name  HA )    3.17057  0.411171  0.411171

assign (resid   52   and name  HN)  (resid      52   and name  HB1 )    3.42256  0.486768  0.486768

assign (resid   52   and name  HN)  (resid      52   and name  HB2 )    2.83982  0.311946  0.311946

assign (resid   52   and name  HN)  (resid      51   and name  HA# )    2.79955  0.299865  0.299865

assign (resid   52   and name  HN)  (resid      52   and name  HD# )    3.21288  0.423864  0.423864

assign (resid   52   and name  HN)  (resid      52   and name  HA )    3.17057  0.411171  0.411171

assign (resid   102   and name  HN)  (resid      102   and name  HB1 )    3.42256  0.486768  0.486768

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assign (resid   102   and name  HN)  (resid      101   and name  HA# )    2.79955  0.299865  0.299865

assign (resid   102   and name  HN)  (resid      102   and name  HD# )    3.21288  0.423864  0.423864

assign (resid   102   and name  HN)  (resid      102   and name  HA )    3.17057  0.411171  0.411171

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assign (resid   2   and name  HB2)  (resid      2   and name  HA )    2.32465  0.52465  0.52465

assign (resid   2   and name  HB1)  (resid      2   and name  HD# )    2.23375  0.43375  0.43375

assign (resid   2   and name  HB1)  (resid      2   and name  HA )    2.42502  0.62502  0.62502

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assign (resid   5   and name  HB1)  (resid      5   and name  HG# )    2.47801  0.67801  0.67801

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assign (resid   5   and name  HB2)  (resid      5   and name  HG# )    2.52125  0.72125  0.72125

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assign (resid   11   and name  HB2)  (resid      11   and name  HA )    2.66391  0.86391  0.86391

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assign (resid   13   and name  HB1)  (resid      13   and name  HA )    2.59233  0.79233  0.79233

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assign (resid   13   and name  HB1)  (resid      13   and name  HD1 )    2.62861  0.82861  0.82861

assign (resid   13   and name  HB1)  (resid      6   and name  HB# )    2.87959  1.07959  1.07959

assign (resid   13   and name  HB1)  (resid      20   and name  HA )    3.28007  1.48007  1.48007

assign (resid   13   and name  HB1)  (resid      20   and name  HZ3 )    3.30342  1.50342  1.50342

assign (resid   21   and name  HA)  (resid      13   and name  HB1 )    3.4103  1.6103  1.6103

assign (resid   13   and name  HA)  (resid      13   and name  HB1 )    2.47898  0.67898  0.67898

assign (resid   13   and name  HB1)  (resid      20   and name  HA )    3.38042  1.58042  1.58042

assign (resid   6   and name  HB#)  (resid      13   and name  HB1 )    2.45006  0.65006  0.65006

assign (resid   13   and name  HB2)  (resid      20   and name  HZ3 )    3.38729  1.58729  1.58729

assign (resid   13   and name  HB2)  (resid      20   and name  HB# )    2.93597  1.13597  1.13597

assign (resid   13   and name  HB2)  (resid      65   and name  HB2 )    2.8203  1.0203  1.0203

assign (resid   13   and name  HB2)  (resid      13   and name  HA )    2.7082  0.9082  0.9082

assign (resid   13   and name  HB2)  (resid      13   and name  HD1 )    2.72859  0.92859  0.92859

assign (resid   13   and name  HB2)  (resid      13   and name  HD2 )    2.69928  0.89928  0.89928

assign (resid   13   and name  HB2)  (resid      6   and name  HB# )    2.7481  0.9481  0.9481

assign (resid   13   and name  HB2)  (resid      65   and name  HB1 )    3.13953  1.33953  1.33953

assign (resid   20   and name  HB2)  (resid      13   and name  HB2 )    3.31816  1.51816  1.51816

assign (resid   20   and name  HB1)  (resid      13   and name  HB2 )    3.34273  1.54273  1.54273

assign (resid   14   and name  HA)  (resid      13   and name  HB2 )    3.60016  1.80016  1.80016

assign (resid   13   and name  HA)  (resid      13   and name  HB2 )    2.72859  0.92859  0.92859

assign (resid   15   and name  HG#)  (resid      15   and name  HB1 )    2.44473  0.64473  0.64473

assign (resid   15   and name  HG#)  (resid      15   and name  HB1 )    2.46939  0.66939  0.66939

assign (resid   15   and name  HA)  (resid      15   and name  HB1 )    2.78365  0.98365  0.98365

assign (resid   15   and name  HB2)  (resid      20   and name  HZ2 )    3.524  1.724  1.724

assign (resid   15   and name  HB2)  (resid      120   and name  HZ3 )    2.74412  0.94412  0.94412

assign (resid   15   and name  HB2)  (resid      20   and name  HZ3 )    2.74412  0.94412  0.94412

assign (resid   15   and name  HB2)  (resid      113   and name  HB1 )    3.50939  1.70939  1.70939

assign (resid   15   and name  HB1)  (resid      15   and name  HG# )    2.4619  0.6619  0.6619

assign (resid   15   and name  HB2)  (resid      15   and name  HG# )    2.49489  0.69489  0.69489

assign (resid   15   and name  HB1)  (resid      15   and name  HG# )    2.48685  0.68685  0.68685

assign (resid   15   and name  HB2)  (resid      15   and name  HD2 )    2.85016  1.05016  1.05016

assign (resid   15   and name  HB2)  (resid      106   and name  HB# )    2.95882  1.15882  1.15882

assign (resid   15   and name  HA)  (resid      15   and name  HB2 )    2.71919  0.91919  0.91919

assign (resid   14   and name  HA)  (resid      15   and name  HB2 )    3.54377  1.74377  1.74377

assign (resid   15   and name  HB1)  (resid      20   and name  HE3 )    3.55578  1.75578  1.75578

assign (resid   15   and name  HB1)  (resid      113   and name  HB2 )    3.34431  1.54431  1.54431

assign (resid   15   and name  HB1)  (resid      15   and name  HA )    2.7793  0.9793  0.9793

assign (resid   15   and name  HB1)  (resid      120   and name  HZ3 )    2.85274  1.05274  1.05274

assign (resid   15   and name  HB1)  (resid      20   and name  HZ3 )    2.85274  1.05274  1.05274

assign (resid   15   and name  HB1)  (resid      113   and name  HB1 )    2.93597  1.13597  1.13597

assign (resid   15   and name  HB2)  (resid      15   and name  HG# )    2.53691  0.73691  0.73691

assign (resid   15   and name  HB1)  (resid      106   and name  HB# )    2.89084  1.09084  1.09084

assign (resid   15   and name  HB1)  (resid      15   and name  HD2 )    3.00859  1.20859  1.20859

assign (resid   14   and name  HA)  (resid      15   and name  HB1 )    3.42409  1.62409  1.62409

assign (resid   16   and name  HB2)  (resid      16   and name  HA )    2.26682  0.46682  0.46682

assign (resid   14   and name  HG1#)  (resid      16   and name  HB1 )    2.5593  0.7593  1.7593

assign (resid   16   and name  HB1)  (resid      16   and name  HA )    2.31069  0.51069  0.51069

assign (resid   17   and name  HA)  (resid      17   and name  HB1 )    2.22044  0.42044  0.42044

assign (resid   16   and name  HG#)  (resid      17   and name  HB1 )    2.56173  0.76173  0.76173

assign (resid   17   and name  HB1)  (resid      17   and name  HA )    2.39244  0.59244  0.59244

assign (resid   17   and name  HB1)  (resid      16   and name  HG# )    2.94561  1.14561  1.14561

assign (resid   17   and name  HA)  (resid      17   and name  HB2 )    2.48585  0.68585  0.68585

assign (resid   16   and name  HG#)  (resid      17   and name  HB2 )    2.69752  0.89752  0.89752

assign (resid   17   and name  HB2)  (resid      17   and name  HA )    2.50312  0.70312  0.70312

assign (resid   19   and name  HA)  (resid      19   and name  HB1 )    2.19663  0.39663  0.39663

assign (resid   19   and name  HB1)  (resid      19   and name  HG# )    2.15823  0.35823  0.35823

assign (resid   19   and name  HB1)  (resid      19   and name  HA )    2.39244  0.59244  0.59244

assign (resid   19   and name  HA)  (resid      19   and name  HB2 )    2.47996  0.67996  0.67996

assign (resid   19   and name  HG#)  (resid      19   and name  HB2 )    2.5704  0.7704  0.7704

assign (resid   19   and name  HG#)  (resid      19   and name  HB2 )    2.56542  0.76542  0.76542

assign (resid   19   and name  HB2)  (resid      19   and name  HA )    2.60864  0.80864  0.80864

assign (resid   19   and name  HB2)  (resid      19   and name  HG# )    2.38494  0.58494  0.58494

assign (resid   19   and name  HA)  (resid      20   and name  HB2 )    3.35551  1.55551  1.55551

assign (resid   20   and name  HB1)  (resid      13   and name  HB1 )    3.31816  1.51816  1.51816

assign (resid   20   and name  HB1)  (resid      6   and name  HB# )    3.23913  1.43913  1.43913

assign (resid   20   and name  HB1)  (resid      20   and name  HA )    2.75212  0.95212  0.95212

assign (resid   20   and name  HB1)  (resid      6   and name  HA )    3.24421  1.44421  1.44421

assign (resid   20   and name  HB1)  (resid      20   and name  HE3 )    3.06488  1.26488  1.26488

assign (resid   20   and name  HB1)  (resid      20   and name  HD1 )    2.83996  1.03996  1.03996

assign (resid   20   and name  HB1)  (resid      13   and name  HD2 )    2.94561  1.14561  1.14561

assign (resid   20   and name  HB1)  (resid      13   and name  HD1 )    3.28633  1.48633  1.48633

assign (resid   20   and name  HB2)  (resid      13   and name  HE1 )    3.43161  1.63161  1.63161

assign (resid   20   and name  HB2)  (resid      13   and name  HB1 )    3.34273  1.54273  1.54273

assign (resid   20   and name  HB2)  (resid      20   and name  HA )    2.77714  0.97714  0.97714

assign (resid   20   and name  HB2)  (resid      13   and name  HD2 )    2.85797  1.05797  1.05797

assign (resid   20   and name  HB2)  (resid      20   and name  HD1 )    2.80616  1.00616  1.00616

assign (resid   20   and name  HB2)  (resid      6   and name  HB# )    3.14981  1.34981  1.34981

assign (resid   20   and name  HB2)  (resid      13   and name  HD1 )    3.16353  1.36353  1.36353

assign (resid   23   and name  HD2#)  (resid      23   and name  HB1 )    2.16796  0.36796  0.36796

assign (resid   23   and name  HA)  (resid      23   and name  HB1 )    2.55208  0.75208  0.75208

assign (resid   12   and name  HB#)  (resid      23   and name  HB1 )    2.03716  0.23716  1.23716

assign (resid   23   and name  HB1)  (resid      64   and name  HB )    3.51833  1.71833  1.71833

assign (resid   23   and name  HB1)  (resid      23   and name  HD2# )    2.3019  0.5019  0.5019

assign (resid   23   and name  HB1)  (resid      23   and name  HA )    2.59904  0.79904  0.79904

assign (resid   23   and name  HB1)  (resid      23   and name  HG )    2.17605  0.37605  0.37605

assign (resid   23   and name  HG)  (resid      23   and name  HB2 )    2.69928  0.89928  0.89928

assign (resid   23   and name  HB2)  (resid      23   and name  HA )    2.33472  0.53472  0.53472

assign (resid   22   and name  HA)  (resid      23   and name  HB2 )    3.09601  1.29601  1.29601

assign (resid   23   and name  HB2)  (resid      23   and name  HA )    2.41033  0.61033  0.61033

assign (resid   23   and name  HB2)  (resid      14   and name  HA )    3.31966  1.51966  1.51966

assign (resid   23   and name  HB2)  (resid      12   and name  HB# )    2.65912  0.85912  0.85912

assign (resid   23   and name  HD2#)  (resid      23   and name  HB2 )    2.3627  0.5627  0.5627

assign (resid   23   and name  HB2)  (resid      23   and name  HG )    2.54151  0.74151  0.74151

assign (resid   23   and name  HB2)  (resid      64   and name  HB )    3.42503  1.62503  1.62503

assign (resid   26   and name  HA)  (resid      26   and name  HB2 )    2.36131  0.56131  0.56131

assign (resid   26   and name  HB2)  (resid      123   and name  HD1# )    2.45822  0.65822  0.65822

assign (resid   23   and name  HA)  (resid      26   and name  HB2 )    3.1963  1.3963  1.3963

assign (resid   26   and name  HB2)  (resid      127   and name  HD1# )    2.68713  0.88713  0.88713

assign (resid   26   and name  HB2)  (resid      26   and name  HD# )    2.27953  0.47953  0.47953

assign (resid   26   and name  HB2)  (resid      26   and name  HA )    2.45186  0.65186  0.65186

assign (resid   26   and name  HA)  (resid      26   and name  HB1 )    2.14242  0.34242  0.34242

assign (resid   26   and name  HB1)  (resid      123   and name  HD1# )    2.52566  0.72566  0.72566

assign (resid   23   and name  HA)  (resid      26   and name  HB1 )    3.34037  1.54037  1.54037

assign (resid   26   and name  HB1)  (resid      127   and name  HD1# )    2.89658  1.09658  1.09658

assign (resid   26   and name  HB1)  (resid      123   and name  HD2# )    2.43345  0.63345  0.63345

assign (resid   26   and name  HB1)  (resid      123   and name  HD2# )    2.47224  0.67224  0.67224

assign (resid   26   and name  HB1)  (resid      26   and name  HD# )    2.2973  0.4973  0.4973

assign (resid   26   and name  HB1)  (resid      26   and name  HA )    2.28443  0.48443  0.48443

assign (resid   26   and name  HB1)  (resid      127   and name  HD2# )    2.42502  0.62502  0.62502

assign (resid   26   and name  HB1)  (resid      127   and name  HD2# )    2.43345  0.63345  0.63345

assign (resid   24   and name  HA)  (resid      27   and name  HB2 )    2.29959  0.49959  0.49959

assign (resid 52 and name HB2) (resid 52 and name HD# ) 2.27153 0.47153 0.47153

assign (resid 52 and name HB2) (resid 52 and name HA ) 2.32465 0.52465 0.52465

assign (resid 52 and name HB1) (resid 52 and name HD# ) 2.23375 0.43375 0.43375

assign (resid 52 and name HB1) (resid 52 and name HA ) 2.42502 0.62502 0.62502

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assign (resid 52 and name HA) (resid 52 and name HB1 ) 2.41516 0.61516 0.61516

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assign (resid 55 and name HB1) (resid 55 and name HG# ) 2.40322 0.60322 0.60322

assign (resid 55 and name HB1) (resid 103 and name HG2# ) 3.09142 1.29142 1.29142

assign (resid 55 and name HB1) (resid 55 and name HA ) 2.61003 0.81003 0.81003

assign (resid 55 and name HB1) (resid 55 and name HG# ) 2.39779 0.59779 0.59779

assign (resid 55 and name HB1) (resid 55 and name HG# ) 2.47801 0.67801 0.67801

assign (resid 55 and name HA) (resid 55 and name HB2 ) 2.37616 0.57616 0.57616

assign (resid 55 and name HG#) (resid 55 and name HB2 ) 2.49795 0.69795 0.69795

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assign (resid 55 and name HB2) (resid 103 and name HG2# ) 2.88799 1.08799 1.08799

assign (resid 55 and name HB2) (resid 55 and name HG# ) 2.38717 0.58717 0.58717

assign (resid 58 and name HG#) (resid 58 and name HB2 ) 2.64816 0.84816 0.84816

assign (resid 58 and name HG#) (resid 58 and name HB2 ) 2.49185 0.69185 0.69185

assign (resid 58 and name HA) (resid 58 and name HB2 ) 2.2973 0.4973 0.4973

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assign (resid 58 and name HD#) (resid 58 and name HB2 ) 2.35379 0.55379 0.55379

assign (resid 58 and name HB2) (resid 117 and name HA ) 3.39866 1.59866 1.59866

assign (resid 58 and name HB2) (resid 58 and name HA ) 2.7305 0.9305 0.9305

assign (resid 58 and name HB1) (resid 58 and name HG# ) 2.78147 0.98147 0.98147

assign (resid 58 and name HB1) (resid 58 and name HA ) 2.54734 0.74734 0.74734

assign (resid 58 and name HB1) (resid 58 and name HD# ) 2.60587 0.80587 0.80587

assign (resid 58 and name HB1) (resid 117 and name HA ) 2.98654 1.18654 1.18654

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assign (resid 72 and name HD2#) (resid 61 and name HB2 ) 2.29503 0.49503 0.49503

assign (resid 61 and name HA) (resid 61 and name HB2 ) 2.17605 0.37605 0.57605

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assign (resid 61 and name HG#) (resid 61 and name HB1 ) 2.41597 0.61597 0.61597

assign (resid 61 and name HG#) (resid 61 and name HB1 ) 2.34445 0.54445 0.54445

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assign (resid 65 and name HB1) (resid 13 and name HB2 ) 2.93597 1.13597 1.13597

assign (resid 72 and name HD2#) (resid 61 and name HB1 ) 2.27738 0.47738 0.47738

assign (resid 61 and name HB1) (resid 61 and name HA ) 2.34379 0.54379 0.54379

assign (resid 61 and name HB1) (resid 61 and name HG# ) 2.39548 0.59548 0.59548

assign (resid 61 and name HB1) (resid 63 and name HE1 ) 3.08239 1.28239 1.28239

assign (resid 63 and name HB1) (resid 70 and name HA ) 3.20444 1.40444 1.40444

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assign (resid 64 and name HG##) (resid 63 and name HB1 ) 3.33029 1.53029 1.53029

assign (resid 62 and name HA) (resid 63 and name HB2 ) 3.42878 1.62878 2.62878

assign (resid 63 and name HB1) (resid 115 and name HB1 ) 3.23913 1.43913 1.43913

assign (resid 63 and name HB1) (resid 63 and name HD2 ) 2.83745 1.03745 1.03745

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assign (resid 63 and name HB1) (resid 115 and name HB2 ) 3.11966 1.31966 1.31966

assign (resid 63 and name HB1) (resid 63 and name HA ) 2.59233 0.79233 0.79233

assign (resid 63 and name HB1) (resid 70 and name HE3 ) 2.48884 0.68884 0.68884

assign (resid 63 and name HB1) (resid 63 and name HD1 ) 2.62861 0.82861 0.82861

assign (resid 63 and name HB1) (resid 56 and name HB# ) 2.87959 1.07959 1.07959

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assign (resid 63 and name HB1) (resid 70 and name HZ3 ) 3.30342 1.50342 1.50342

assign (resid 71 and name HA) (resid 63 and name HB1 ) 3.4103 1.6103 1.6103

assign (resid 63 and name HA) (resid 63 and name HB1 ) 2.47898 0.67898 0.67898

assign (resid 63 and name HB2) (resid 70 and name HA ) 3.38042 1.58042 1.58042

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assign (resid 63 and name HB2) (resid 70 and name HZ3 ) 3.38729 1.58729 1.58729

assign (resid 63 and name HB2) (resid 70 and name HB# ) 2.93597 1.13597 1.13597

assign (resid 63 and name HB2) (resid 115 and name HB2 ) 2.8203 1.0203 1.0203

assign (resid 63 and name HB2) (resid 63 and name HA ) 2.7082 0.9082 0.9082

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assign (resid 65 and name HA) (resid 65 and name HB1 ) 2.78365 0.98365 0.98365

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assign (resid 65 and name HB1) (resid 65 and name HA ) 2.7793 0.9793 0.9793

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assign (resid 65 and name HB1) (resid 13 and name HB2 ) 2.93597 1.13597 1.13597

assign (resid 65 and name HB2) (resid 65 and name HG# ) 2.53691 0.73691 0.73691

assign (resid 65 and name HB1) (resid  6 and name HB# ) 2.89084 1.09084 1.09084

assign (resid 65 and name HB1) (resid 65 and name HD2 ) 3.00859 1.20859 1.20859

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assign (resid 67 and name HB1) (resid 66 and name HG# ) 2.94561 1.14561 1.14561

assign (resid 67 and name HA) (resid 67 and name HB2 ) 2.48585 0.68585 0.68585

assign (resid 66 and name HG#) (resid 67 and name HB2 ) 2.69752 0.89752 0.89752

assign (resid 67 and name HB2) (resid 67 and name HA ) 2.50312 0.70312 0.70312

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assign (resid 73 and name HB1) (resid 73 and name HA ) 2.59904 0.79904 0.79904

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assign (resid 71 and name HN) (resid 63 and name HB2 ) 3.8824 0.694133 0.694133

assign (resid 63 and name HN) (resid 63 and name HB2 ) 2.78844 0.32948 0.32948

assign (resid 64 and name HN) (resid 63 and name HB2 ) 3.49583 0.565277 0.565277

assign (resid 67 and name HN) (resid 67 and name HB1 ) 3.59844 0.59948 0.59948

assign (resid 67 and name HN) (resid 67 and name HB2 ) 3.7738 0.657933 0.657933

assign (resid 70 and name HN) (resid 69 and name HB2 ) 3.18927 0.46309 0.46309

assign (resid 69 and name HN) (resid 69 and name HB2 ) 2.818 0.339333 0.339333

assign (resid 70 and name HN) (resid 69 and name HB1 ) 2.78407 0.328023 0.328023

assign (resid 69 and name HN) (resid 69 and name HB1 ) 3.11065 0.436883 0.436883

assign (resid 70 and name HN) (resid 70 and name HB1 ) 3.26343 0.48781 0.48781

assign (resid 70 and name HN) (resid 70 and name HB2 ) 2.76918 0.32306 0.32306

assign (resid 73 and name HN) (resid 73 and name HB2 ) 2.69346 0.29782 0.29782

assign (resid 74 and name HN) (resid 73 and name HB2 ) 3.18647 0.462157 0.462157

assign (resid 73 and name HN) (resid 73 and name HB1 ) 2.56369 0.254563 0.254563

assign (resid 77 and name HN) (resid 76 and name HB2 ) 3.75587 0.651957 0.651957

assign (resid 76 and name HN) (resid 76 and name HB1 ) 3.12017 0.440057 0.440057

assign (resid 77 and name HN) (resid 76 and name HB1 ) 3.71352 0.63784 0.63784

assign (resid 76 and name HN) (resid 76 and name HB2 ) 2.69003 0.296677 0.296677

assign (resid 102 and name HN) (resid 102 and name HB2 ) 2.83982 0.346607 0.346607

assign (resid 102 and name HN) (resid 102 and name HB1 ) 3.42256 0.540853 0.540853

assign (resid 105 and name HN) (resid 105 and name HB1 ) 2.57987 0.259957 0.259957

assign (resid 105 and name HN) (resid 105 and name HB2 ) 2.56859 0.256197 0.256197

assign (resid 109 and name HN) (resid 108 and name HB1 ) 3.62251 0.607503 0.607503

assign (resid 109 and name HN) (resid 108 and name HB2 ) 3.84169 0.680563 0.680563

assign (resid 112 and name HN) (resid 111 and name HB2 ) 3.13486 0.444953 1.444953

assign (resid 112 and name HN) (resid 111 and name HB1 ) 2.64203 0.280677 0.780677

assign (resid 111 and name HN) (resid 111 and name HB1 ) 3.21943 0.473143 0.473143

assign (resid 111 and name HE21) (resid 111 and name HB1 ) 4.00081 0.733603 0.733603

assign (resid 121 and name HN) (resid 113 and name HB1 ) 3.97664 0.725547 0.925547

assign (resid 113 and name HN) (resid 113 and name HB1 ) 3.44805 0.54935 0.54935

assign (resid 114 and name HN) (resid 113 and name HB1 ) 3.02523 0.40841 0.40841

assign (resid 121 and name HN) (resid 113 and name HB2 ) 3.8824 0.694133 0.694133

assign (resid 113 and name HN) (resid 113 and name HB2 ) 2.78844 0.32948 0.32948

assign (resid 114 and name HN) (resid 113 and name HB2 ) 3.49583 0.565277 0.565277

assign (resid 117 and name HN) (resid 117 and name HB1 ) 3.59844 0.59948 0.59948

assign (resid 117 and name HN) (resid 117 and name HB2 ) 3.7738 0.657933 0.657933

assign (resid 120 and name HN) (resid 119 and name HB2 ) 3.18927 0.46309 0.46309

assign (resid 119 and name HN) (resid 119 and name HB2 ) 2.818 0.339333 0.339333

assign (resid 120 and name HN) (resid 119 and name HB1 ) 2.78407 0.328023 0.328023

assign (resid 119 and name HN) (resid 119 and name HB1 ) 3.11065 0.436883 0.436883

assign (resid 120 and name HN) (resid 120 and name HB1 ) 3.26343 0.48781 0.48781

assign (resid 120 and name HN) (resid 120 and name HB2 ) 2.76918 0.32306 0.32306

assign (resid 123 and name HN) (resid 123 and name HB2 ) 2.69346 0.29782 0.29782

assign (resid 124 and name HN) (resid 123 and name HB2 ) 3.18647 0.462157 0.462157

assign (resid 123 and name HN) (resid 123 and name HB1 ) 2.56369 0.254563 0.254563

assign (resid 127 and name HN) (resid 126 and name HB2 ) 3.75587 0.651957 0.651957

assign (resid 126 and name HN) (resid 126 and name HB1 ) 3.12017 0.440057 0.440057

assign (resid 127 and name HN) (resid 126 and name HB1 ) 3.71352 0.63784 0.63784

assign (resid 126 and name HN) (resid 126 and name HB2 ) 2.69003 0.296677 0.296677

assign (resid   11   and name  HE21)  (resid      11   and name  HB1 )    4.00081     0.733603   0.733603

assign (resid   11   and name  HE22)  (resid      11   and name  HG1 )    3.54161     0.580537   0.580537

assign (resid   11   and name  HE22)  (resid      22   and name  HD1# )    3.68344     0.627813   0.627813

assign (resid   11   and name  HE21)  (resid      11   and name  HG2 )    2.94742     0.382473   0.382473

assign (resid   11   and name  HE22)  (resid      22   and name  HD2# )    3.62663     0.608877   0.608877

assign (resid   11   and name  HE21)  (resid      22   and name  HD2# )    3.51764     0.572547   0.572547

assign (resid   11   and name  HE22)  (resid      11   and name  HG2 )    3.64632     0.61544   0.61544

assign (resid   11   and name  HE21)  (resid      22   and name  HD1# )    3.6492      0.6164   0.6164

assign (resid   61   and name  HE21)  (resid      61   and name  HG1 )    2.96727     0.38909   0.38909

assign (resid   61   and name  HE21)  (resid      61   and name  HB1 )    4.00081     0.733603   0.733603

assign (resid   61   and name  HE22)  (resid      61   and name  HG1 )    3.54161     0.580537   0.580537

assign (resid   61   and name  HE22)  (resid      72   and name  HD1# )    3.68344     0.627813   0.627813

assign (resid   61   and name  HE21)  (resid      61   and name  HG2 )    2.94742     0.382473   0.382473

assign (resid   61   and name  HE22)  (resid      72   and name  HD2# )    3.62663     0.608877   0.608877

assign (resid   61   and name  HE21)  (resid      72   and name  HD2# )    3.51764     0.572547   0.572547

assign (resid   61   and name  HE22)  (resid      61   and name  HG2 )    3.64632     0.61544   0.61544

assign (resid   61   and name  HE21)  (resid      72   and name  HD1# )    3.6492      0.6164   0.6164

assign (resid   111   and name  HE21)  (resid      111   and name  HG1 )    2.96727   0.38909   0.38909

assign (resid   111   and name  HE21)  (resid      111   and name  HB1 )    4.00081   0.733603   0.733603

assign (resid   111   and name  HE22)  (resid      111   and name  HG1 )    3.54161   0.580537   0.580537

assign (resid   111   and name  HE22)  (resid      122   and name  HD1# )    3.68344   0.627813   0.627813

assign (resid   111   and name  HE21)  (resid      111   and name  HG2 )    2.94742   0.382473   0.382473

assign (resid   111   and name  HE22)  (resid      122   and name  HD2# )    3.62663   0.608877   0.608877

assign (resid   111   and name  HE21)  (resid      122   and name  HD2# )    3.51764   0.572547   0.572547

assign (resid   111   and name  HE22)  (resid      111   and name  HG2 )    3.64632   0.61544   0.61544

assign (resid   111   and name  HE21)  (resid      122   and name  HD1# )    3.6492    0.6164   0.6164

assign (resid  15 and name  HE)  (resid     105  and name  HA )    3.50233 1.70233 1.70233  

assign (resid  15 and name  HH2#)  (resid     15  and name  HE )    3.14307 1.34307 1.34307  

assign (resid  15 and name  HE)  (resid     105  and name  HG# )    3.34796 1.54796 1.54796  

assign (resid  15 and name  HE)  (resid     3  and name  HB )    3.67135 1.87135 1.87135  

assign (resid  65 and name  HE)  (resid     6  and name  HB# )    3.55241 1.75241 1.75241  

assign (resid  65 and name  HE)  (resid     5  and name  HA )    3.50233 1.70233 1.70233  

assign (resid  65 and name  HH2#)  (resid     65  and name  HE )    3.14307 1.34307 1.34307  

assign (resid  65 and name  HE)  (resid     5  and name  HG# )    3.34796 1.54796 1.54796  

assign (resid  65 and name  HE)  (resid     53  and name  HB )    3.67135 1.87135 1.87135  

assign (resid  115 and name  HE)  (resid     56  and name  HB# )    3.55241 1.75241 1.75241  

assign (resid  115 and name  HE)  (resid     55  and name  HA )    3.50233 1.70233 1.70233  

assign (resid  115 and name  HH2#)  (resid     115  and name  HE )    3.14307 1.34307 1.34307  

assign (resid  115 and name  HE)  (resid     55  and name  HG# )    3.34796 1.54796 1.54796  

assign (resid  115 and name  HE)  (resid     103  and name  HB )    3.67135 1.87135 1.87135  
                                  
assign ( resid  14  and name O   )
       ( resid  21  and name HN  ) 2.0 0.7 0.5
assign ( resid  14  and name O   )
       ( resid  21  and name N   ) 3.0 0.7 0.5
                                  
assign ( resid  21  and name O   )
       ( resid  14  and name HN  ) 2.0 0.7 0.5
assign ( resid  21  and name O   )
       ( resid  14  and name N   ) 3.0 0.7 0.5
                                  
assign ( resid  12  and name O   )
       ( resid  23  and name HN  ) 2.0 0.7 0.5
assign ( resid  12  and name O   )
       ( resid  23  and name N   ) 3.0 0.7 0.5
                                  
assign ( resid  16  and name O   )
       ( resid  19  and name HN  ) 2.0 0.7 0.5
assign ( resid  16  and name O   )
       ( resid  19  and name N   ) 3.0 0.7 0.5
                                  
assign ( resid  19  and name O   )
       ( resid  16  and name HN  ) 2.0 0.7 0.5
assign ( resid  19  and name O   )
       ( resid  16  and name N   ) 3.0 0.7 0.5
                                  
assign ( resid  24  and name O   )
       ( resid  27  and name HN  ) 2.0 0.7 0.5
assign ( resid  24  and name O   )
       ( resid  27  and name N   ) 3.0 0.7 0.5
                                  
assign ( resid  64  and name O   )
       ( resid  71  and name HN  ) 2.0 0.7 0.5
assign ( resid  64  and name O   )
       ( resid  71  and name N   ) 3.0 0.7 0.5
                                  
assign ( resid  71  and name O   )
       ( resid  64  and name HN  ) 2.0 0.7 0.5
assign ( resid  71  and name O   )
       ( resid  64  and name N   ) 3.0 0.7 0.5
                                  
assign ( resid  62  and name O   )
       ( resid  73  and name HN  ) 2.0 0.7 0.5
assign ( resid  62  and name O   )
       ( resid  73  and name N   ) 3.0 0.7 0.5
                                  
assign ( resid  66  and name O   )
       ( resid  69  and name HN  ) 2.0 0.7 0.5
assign ( resid  66  and name O   )
       ( resid  69  and name N   ) 3.0 0.7 0.5
                                  
assign ( resid  69  and name O   )
       ( resid  66  and name HN  ) 2.0 0.7 0.5
assign ( resid  69  and name O   )
       ( resid  66  and name N   ) 3.0 0.7 0.5
                                  
assign ( resid  74  and name O   )
       ( resid  77  and name HN  ) 2.0 0.7 0.5
assign ( resid  74  and name O   )
       ( resid  77  and name N   ) 3.0 0.7 0.5
                                  
assign ( resid 114  and name O   )
       ( resid 121  and name HN  ) 2.0 0.7 0.5
assign ( resid 114  and name O   )
       ( resid 121  and name N   ) 3.0 0.7 0.5
                                  
assign ( resid 121  and name O   )
       ( resid 114  and name HN  ) 2.0 0.7 0.5
assign ( resid 121  and name O   )
       ( resid 114  and name N   ) 3.0 0.7 0.5
                                  
assign ( resid 112  and name O   )
       ( resid 123  and name HN  ) 2.0 0.7 0.5
assign ( resid 112  and name O   )
       ( resid 123  and name N   ) 3.0 0.7 0.5
                                  
assign ( resid 116  and name O   )
       ( resid 119  and name HN  ) 2.0 0.7 0.5
assign ( resid 116  and name O   )
       ( resid 119  and name N   ) 3.0 0.7 0.5
                                  
assign ( resid 119  and name O   )
       ( resid 116  and name HN  ) 2.0 0.7 0.5
assign ( resid 119  and name O   )
       ( resid 116  and name N   ) 3.0 0.7 0.5
                                  
assign ( resid 124  and name O   )
       ( resid 127  and name HN  ) 2.0 0.7 0.5
assign ( resid 124  and name O   )
       ( resid 127  and name N   ) 3.0 0.7 0.5

assign ( resid 9  and name OD2   )
       ( resid 11  and name HN  ) 2.0  0.7 0.7
assign ( resid 9  and name OD2   )
       ( resid 11  and name N   ) 3.0  0.7 0.7

assign ( resid 59  and name OD2   )
       ( resid 61  and name HN  ) 2.0 0.7 0.7
assign ( resid 59  and name OD2   )
       ( resid 61  and name N   ) 3.0 0.7 0.7

assign ( resid 109  and name OD2   )
       ( resid 111  and name HN  ) 2.0 0.7 0.7
assign ( resid 109  and name OD2   )
       ( resid 111  and name N   ) 3.0 0.7 0.7


assign ( resid 5  and name OE2   )
       ( resid 65  and name CZ  ) 2.0 0.7 0.7
assign ( resid 55  and name OE2   )
       ( resid 115  and name CZ  ) 2.0 0.7 0.7
assign ( resid 105  and name OE2   )
       ( resid 15  and name CZ  ) 2.0 0.7 0.7


assign ( resid  13  and name O   )
       ( resid  65  and name HN  ) 2.0 0.7 0.5
assign ( resid  13  and name O   )
       ( resid  65  and name N   ) 3.0 0.7 0.5

assign ( resid  63  and name O   )
       ( resid  115  and name HN  ) 2.0 0.7 0.5
assign ( resid  63  and name O   )
       ( resid  115  and name N   ) 3.0 0.7 0.5

assign ( resid  113  and name O   )
       ( resid  15  and name HN  ) 2.0 0.7 0.5
assign ( resid  113  and name O   )
       ( resid  15  and name N   ) 3.0 0.7 0.5

assign ( resid  13  and name HN  )
       ( resid  65  and name O  ) 2.0 0.7 0.5
assign ( resid  13  and name N   )
       ( resid  65  and name O   ) 3.0 0.7 0.5

assign ( resid  63  and name HN   )
       ( resid  115  and name O  ) 2.0 0.7 0.5
assign ( resid  63  and name N   )
       ( resid  115  and name O   ) 3.0 0.7 0.5

assign ( resid  113  and name HN  )
       ( resid  15  and name O  ) 2.0 0.7 0.5
assign ( resid  113  and name N   )
       ( resid  15  and name O   ) 3.0 0.7 0.5

assign ( resid 17 and name OD#   )
       ( resid 17 and name HN  ) 3.0  0.5 0.5

assign ( resid 67 and name OD#   )
        ( resid 67 and name HN  ) 3.0  0.5 0.5

assign ( resid 117 and name OD#   )
       ( resid 117 and name HN  ) 3.0  0.5 0.5
                                  
assign (resid   1  and name C ) (resid   2 and name N)
       (resid   2  and name CA) (resid   2 and name C)  8.4984  0.0057
                                  
assign (resid   2  and name C ) (resid   3 and name N)
       (resid   3  and name CA) (resid   3 and name C)  7.1512  0.0633
                                  
assign (resid   4  and name C ) (resid   5 and name N)
       (resid   5  and name CA) (resid   5 and name C)  3.0424  0.1665
                                  
assign (resid   5  and name C ) (resid   6 and name N)
       (resid   6  and name CA) (resid   6 and name C)  8.0600  0.0271
                                  
assign (resid   7  and name C ) (resid   8 and name N)
       (resid   8  and name CA) (resid   8 and name C) 10.8373  0.2380
                                  
assign (resid   8  and name C ) (resid   9 and name N)
       (resid   9  and name CA) (resid   9 and name C) 10.0791  0.0356
                                  
assign (resid  10  and name C ) (resid  11 and name N)
       (resid  11  and name CA) (resid  11 and name C) 10.0969  0.0274
                                  
assign (resid  11  and name C ) (resid  12 and name N)
       (resid  12  and name CA) (resid  12 and name C)  7.0398  0.0303
                                  
assign (resid  12  and name C ) (resid  13 and name N)
       (resid  13  and name CA) (resid  13 and name C) 10.3022  0.0561
                                  
assign (resid  13  and name C ) (resid  14 and name N)
       (resid  14  and name CA) (resid  14 and name C)  9.8378  0.0332
                                  
assign (resid  14  and name C ) (resid  15 and name N)
       (resid  15  and name CA) (resid  15 and name C)  8.8753  0.0016
                                  
assign (resid  15  and name C ) (resid  16 and name N)
       (resid  16  and name CA) (resid  16 and name C)  8.0920  0.0195
                                  
assign (resid  16  and name C ) (resid  17 and name N)
       (resid  17  and name CA) (resid  17 and name C)  6.3571  0.1351
                                  
assign (resid  18  and name C ) (resid  19 and name N)
       (resid  19  and name CA) (resid  19 and name C) 10.0251  0.0191
                                  
assign (resid  19  and name C ) (resid  20 and name N)
       (resid  20  and name CA) (resid  20 and name C)  8.7965  0.0003
                                  
assign (resid  20  and name C ) (resid  21 and name N)
       (resid  21  and name CA) (resid  21 and name C) 10.8832  0.0600
                                  
assign (resid  21  and name C ) (resid  22 and name N)
       (resid  22  and name CA) (resid  22 and name C)  2.5928  0.2061
                                  
assign (resid  22  and name C ) (resid  23 and name N)
       (resid  23  and name CA) (resid  23 and name C)  3.6254  0.2249
                                  
assign (resid  23  and name C ) (resid  24 and name N)
       (resid  24  and name CA) (resid  24 and name C)  2.3131  0.1761
                                  
assign (resid  24  and name C ) (resid  25 and name N)
       (resid  25  and name CA) (resid  25 and name C)  5.4458  0.0692
                                  
assign (resid  25  and name C ) (resid  26 and name N)
       (resid  26  and name CA) (resid  26 and name C)  9.7935  0.0234
                                  
assign (resid  26  and name C ) (resid  27 and name N)
       (resid  27  and name CA) (resid  27 and name C)  9.6348  0.0198
                                  
assign (resid  51  and name C ) (resid  52 and name N)
       (resid  52  and name CA) (resid  52 and name C)  8.4984  0.0057
                                  
assign (resid  52  and name C ) (resid  53 and name N)
       (resid  53  and name CA) (resid  53 and name C)  7.1512  0.0633
                                  
assign (resid  54  and name C ) (resid  55 and name N)
       (resid  55  and name CA) (resid  55 and name C)  3.0424  0.1665
                                  
assign (resid  55  and name C ) (resid  56 and name N)
       (resid  56  and name CA) (resid  56 and name C)  8.0600  0.0271
                                  
assign (resid  57  and name C ) (resid  58 and name N)
       (resid  58  and name CA) (resid  58 and name C) 10.8373  0.2380
                                  
assign (resid  58  and name C ) (resid  59 and name N)
       (resid  59  and name CA) (resid  59 and name C) 10.0791  0.0356
                                  
assign (resid  60  and name C ) (resid  61 and name N)
       (resid  61  and name CA) (resid  61 and name C) 10.0969  0.0274
                                  
assign (resid  61  and name C ) (resid  62 and name N)
       (resid  62  and name CA) (resid  62 and name C)  7.0398  0.0303
                                  
assign (resid  62  and name C ) (resid  63 and name N)
       (resid  63  and name CA) (resid  63 and name C) 10.3022  0.0561
                                  
assign (resid  63  and name C ) (resid  64 and name N)
       (resid  64  and name CA) (resid  64 and name C)  9.8378  0.0332
                                  
assign (resid  64  and name C ) (resid  65 and name N)
       (resid  65  and name CA) (resid  65 and name C)  8.8753  0.0016
                                  
assign (resid  65  and name C ) (resid  66 and name N)
       (resid  66  and name CA) (resid  66 and name C)  8.0920  0.0195
                                  
assign (resid  66  and name C ) (resid  67 and name N)
       (resid  67  and name CA) (resid  67 and name C)  6.3571  0.1351
                                  
assign (resid  68  and name C ) (resid  69 and name N)
       (resid  69  and name CA) (resid  69 and name C) 10.0251  0.0191
                                  
assign (resid  69  and name C ) (resid  70 and name N)
       (resid  70  and name CA) (resid  70 and name C)  8.7965  0.0003
                                  
assign (resid  70  and name C ) (resid  71 and name N)
       (resid  71  and name CA) (resid  71 and name C) 10.8832  0.0600
                                  
assign (resid  71  and name C ) (resid  72 and name N)
       (resid  72  and name CA) (resid  72 and name C)  2.5928  0.2061
                                  
assign (resid  72  and name C ) (resid  73 and name N)
       (resid  73  and name CA) (resid  73 and name C)  3.6254  0.2249
                                  
assign (resid  73  and name C ) (resid  74 and name N)
       (resid  74  and name CA) (resid  74 and name C)  2.3131  0.1761
                                  
assign (resid  74  and name C ) (resid  75 and name N)
       (resid  75  and name CA) (resid  75 and name C)  5.4458  0.0692
                                  
assign (resid  75  and name C ) (resid  76 and name N)
       (resid  76  and name CA) (resid  76 and name C)  9.7935  0.0234
                                  
assign (resid  76  and name C ) (resid  77 and name N)
       (resid  77  and name CA) (resid  77 and name C)  9.6348  0.0198
                                  
assign (resid 101  and name C ) (resid 102 and name N)
       (resid 102  and name CA) (resid 102 and name C)  8.4984  0.0057
                                  
assign (resid 102  and name C ) (resid 103 and name N)
       (resid 103  and name CA) (resid 103 and name C)  7.1512  0.0633
                                  
assign (resid 104  and name C ) (resid 105 and name N)
       (resid 105  and name CA) (resid 105 and name C)  3.0424  0.1665
                                  
assign (resid 105  and name C ) (resid 106 and name N)
       (resid 106  and name CA) (resid 106 and name C)  8.0600  0.0271
                                  
assign (resid 107  and name C ) (resid 108 and name N)
       (resid 108  and name CA) (resid 108 and name C) 10.8373  0.2380
                                  
assign (resid 108  and name C ) (resid 109 and name N)
       (resid 109  and name CA) (resid 109 and name C) 10.0791  0.0356
                                  
assign (resid 110  and name C ) (resid 111 and name N)
       (resid 111  and name CA) (resid 111 and name C) 10.0969  0.0274
                                  
assign (resid 111  and name C ) (resid 112 and name N)
       (resid 112  and name CA) (resid 112 and name C)  7.0398  0.0303
                                  
assign (resid 112  and name C ) (resid 113 and name N)
       (resid 113  and name CA) (resid 113 and name C) 10.3022  0.0561
                                  
assign (resid 113  and name C ) (resid 114 and name N)
       (resid 114  and name CA) (resid 114 and name C)  9.8378  0.0332
                                  
assign (resid 114  and name C ) (resid 115 and name N)
       (resid 115  and name CA) (resid 115 and name C)  8.8753  0.0016
                                  
assign (resid 115  and name C ) (resid 116 and name N)
       (resid 116  and name CA) (resid 116 and name C)  8.0920  0.0195
                                  
assign (resid 116  and name C ) (resid 117 and name N)
       (resid 117  and name CA) (resid 117 and name C)  6.3571  0.1351
                                  
assign (resid 118  and name C ) (resid 119 and name N)
       (resid 119  and name CA) (resid 119 and name C) 10.0251  0.0191
                                  
assign (resid 119  and name C ) (resid 120 and name N)
       (resid 120  and name CA) (resid 120 and name C)  8.7965  0.0003
                                  
assign (resid 120  and name C ) (resid 121 and name N)
       (resid 121  and name CA) (resid 121 and name C) 10.8832  0.0600
                                  
assign (resid 121  and name C ) (resid 122 and name N)
       (resid 122  and name CA) (resid 122 and name C)  2.5928  0.2061
                                  
assign (resid 122  and name C ) (resid 123 and name N)
       (resid 123  and name CA) (resid 123 and name C)  3.6254  0.2249
                                  
assign (resid 123  and name C ) (resid 124 and name N)
       (resid 124  and name CA) (resid 124 and name C)  2.3131  0.1761
                                  
assign (resid 124  and name C ) (resid 125 and name N)
       (resid 125  and name CA) (resid 125 and name C)  5.4458  0.0692
                                  
assign (resid 125  and name C ) (resid 126 and name N)
       (resid 126  and name CA) (resid 126 and name C)  9.7935  0.0234
                                  
assign (resid 126  and name C ) (resid 127 and name N)
       (resid 127  and name CA) (resid 127 and name C)  9.6348  0.0198
                                  
assign (resid   0  and name C ) (resid   1 and name N)
       (resid   1  and name CA) (resid   1 and name C)
       (resid   2 and name N )                                44.940    0.000
                                  
assign (resid   1  and name C ) (resid   2 and name N)
       (resid   2  and name CA) (resid   2 and name C)
       (resid   3 and name N )                                55.760   38.560
                                  
assign (resid   2  and name C ) (resid   3 and name N)
       (resid   3  and name CA) (resid   3 and name C)
       (resid   4 and name N )                                59.070   38.600
                                  
assign (resid   3  and name C ) (resid   4 and name N)
       (resid   4  and name CA) (resid   4 and name C)
       (resid   5 and name N )                                61.760   32.950
                                  
assign (resid   4  and name C ) (resid   5 and name N)
       (resid   5  and name CA) (resid   5 and name C)
       (resid   6 and name N )                                55.920   30.730
                                  
assign (resid   5  and name C ) (resid   6 and name N)
       (resid   6  and name CA) (resid   6 and name C)
       (resid   7 and name N )                                50.890   14.910
                                  
assign (resid   6  and name C ) (resid   7 and name N)
       (resid   7  and name CA) (resid   7 and name C)
       (resid   8 and name N )                                63.670   31.100
                                  
assign (resid   7  and name C ) (resid   8 and name N)
       (resid   8  and name CA) (resid   8 and name C)
       (resid   9 and name N )                                54.690   28.800
                                  
assign (resid   8  and name C ) (resid   9 and name N)
       (resid   9  and name CA) (resid   9 and name C)
       (resid  10 and name N )                                52.630   41.100
                                  
assign (resid   9  and name C ) (resid  10 and name N)
       (resid  10  and name CA) (resid  10 and name C)
       (resid  11 and name N )                                45.490    0.000
                                  
assign (resid  10  and name C ) (resid  11 and name N)
       (resid  11  and name CA) (resid  11 and name C)
       (resid  12 and name N )                                53.400   30.810
                                  
assign (resid  11  and name C ) (resid  12 and name N)
       (resid  12  and name CA) (resid  12 and name C)
       (resid  13 and name N )                                50.420   20.640
                                  
assign (resid  12  and name C ) (resid  13 and name N)
       (resid  13  and name CA) (resid  13 and name C)
       (resid  14 and name N )                                59.120   43.720
                                  
assign (resid  13  and name C ) (resid  14 and name N)
       (resid  14  and name CA) (resid  14 and name C)
       (resid  15 and name N )                                59.180   33.310
                                  
assign (resid  14  and name C ) (resid  15 and name N)
       (resid  15  and name CA) (resid  15 and name C)
       (resid  16 and name N )                                53.460   33.140
                                  
assign (resid  15  and name C ) (resid  16 and name N)
       (resid  16  and name CA) (resid  16 and name C)
       (resid  17 and name N )                                55.770   37.190
                                  
assign (resid  16  and name C ) (resid  17 and name N)
       (resid  17  and name CA) (resid  17 and name C)
       (resid  18 and name N )                                56.510   40.390
                                  
assign (resid  17  and name C ) (resid  18 and name N)
       (resid  18  and name CA) (resid  18 and name C)
       (resid  19 and name N )                                45.490    0.000
                                  
assign (resid  18  and name C ) (resid  19 and name N)
       (resid  19  and name CA) (resid  19 and name C)
       (resid  20 and name N )                                53.860   33.590
                                  
assign (resid  19  and name C ) (resid  20 and name N)
       (resid  20  and name CA) (resid  20 and name C)
       (resid  21 and name N )                                55.910   29.880
                                  
assign (resid  20  and name C ) (resid  21 and name N)
       (resid  21  and name CA) (resid  21 and name C)
       (resid  22 and name N )                                59.640   35.320
                                  
assign (resid  21  and name C ) (resid  22 and name N)
       (resid  22  and name CA) (resid  22 and name C)
       (resid  23 and name N )                                55.660   42.030
                                  
assign (resid  22  and name C ) (resid  23 and name N)
       (resid  23  and name CA) (resid  23 and name C)
       (resid  24 and name N )                                57.620   41.580
                                  
assign (resid  23  and name C ) (resid  24 and name N)
       (resid  24  and name CA) (resid  24 and name C)
       (resid  25 and name N )                                60.890   62.190
                                  
assign (resid  24  and name C ) (resid  25 and name N)
       (resid  25  and name CA) (resid  25 and name C)
       (resid  26 and name N )                                64.530   68.930
                                  
assign (resid  25  and name C ) (resid  26 and name N)
       (resid  26  and name CA) (resid  26 and name C)
       (resid  27 and name N )                                58.540   40.740
                                  
assign (resid  26  and name C ) (resid  27 and name N)
       (resid  27  and name CA) (resid  27 and name C)
       (resid  28 and name N )                                55.750   43.040
                                  
assign (resid  50  and name C ) (resid  51 and name N)
       (resid  51  and name CA) (resid  51 and name C)
       (resid  52 and name N )                                44.940    0.000
                                  
assign (resid  51  and name C ) (resid  52 and name N)
       (resid  52  and name CA) (resid  52 and name C)
       (resid  53 and name N )                                55.760   38.560
                                  
assign (resid  52  and name C ) (resid  53 and name N)
       (resid  53  and name CA) (resid  53 and name C)
       (resid  54 and name N )                                59.070   38.600
                                  
assign (resid  53  and name C ) (resid  54 and name N)
       (resid  54  and name CA) (resid  54 and name C)
       (resid  55 and name N )                                61.760   32.950
                                  
assign (resid  54  and name C ) (resid  55 and name N)
       (resid  55  and name CA) (resid  55 and name C)
       (resid  56 and name N )                                55.920   30.730
                                  
assign (resid  55  and name C ) (resid  56 and name N)
       (resid  56  and name CA) (resid  56 and name C)
       (resid  57 and name N )                                50.890   14.910
                                  
assign (resid  56  and name C ) (resid  57 and name N)
       (resid  57  and name CA) (resid  57 and name C)
       (resid  58 and name N )                                63.670   31.100
                                  
assign (resid  57  and name C ) (resid  58 and name N)
       (resid  58  and name CA) (resid  58 and name C)
       (resid  59 and name N )                                54.690   28.800
                                  
assign (resid  58  and name C ) (resid  59 and name N)
       (resid  59  and name CA) (resid  59 and name C)
       (resid  60 and name N )                                52.630   41.100
                                  
assign (resid  59  and name C ) (resid  60 and name N)
       (resid  60  and name CA) (resid  60 and name C)
       (resid  61 and name N )                                45.490    0.000
                                  
assign (resid  60  and name C ) (resid  61 and name N)
       (resid  61  and name CA) (resid  61 and name C)
       (resid  62 and name N )                                53.400   30.810
                                  
assign (resid  61  and name C ) (resid  62 and name N)
       (resid  62  and name CA) (resid  62 and name C)
       (resid  63 and name N )                                50.420   20.640
                                  
assign (resid  62  and name C ) (resid  63 and name N)
       (resid  63  and name CA) (resid  63 and name C)
       (resid  64 and name N )                                59.120   43.720
                                  
assign (resid  63  and name C ) (resid  64 and name N)
       (resid  64  and name CA) (resid  64 and name C)
       (resid  65 and name N )                                59.180   33.310
                                  
assign (resid  64  and name C ) (resid  65 and name N)
       (resid  65  and name CA) (resid  65 and name C)
       (resid  66 and name N )                                53.460   33.140
                                  
assign (resid  65  and name C ) (resid  66 and name N)
       (resid  66  and name CA) (resid  66 and name C)
       (resid  67 and name N )                                55.770   37.190
                                  
assign (resid  66  and name C ) (resid  67 and name N)
       (resid  67  and name CA) (resid  67 and name C)
       (resid  68 and name N )                                56.510   40.390
                                  
assign (resid  67  and name C ) (resid  68 and name N)
       (resid  68  and name CA) (resid  68 and name C)
       (resid  69 and name N )                                45.490    0.000
                                  
assign (resid  68  and name C ) (resid  69 and name N)
       (resid  69  and name CA) (resid  69 and name C)
       (resid  70 and name N )                                53.860   33.590
                                  
assign (resid  69  and name C ) (resid  70 and name N)
       (resid  70  and name CA) (resid  70 and name C)
       (resid  71 and name N )                                55.910   29.880
                                  
assign (resid  70  and name C ) (resid  71 and name N)
       (resid  71  and name CA) (resid  71 and name C)
       (resid  72 and name N )                                59.640   35.320
                                  
assign (resid  71  and name C ) (resid  72 and name N)
       (resid  72  and name CA) (resid  72 and name C)
       (resid  73 and name N )                                55.660   42.030
                                  
assign (resid  72  and name C ) (resid  73 and name N)
       (resid  73  and name CA) (resid  73 and name C)
       (resid  74 and name N )                                57.620   41.580
                                  
assign (resid  73  and name C ) (resid  74 and name N)
       (resid  74  and name CA) (resid  74 and name C)
       (resid  75 and name N )                                60.890   62.190
                                  
assign (resid  74  and name C ) (resid  75 and name N)
       (resid  75  and name CA) (resid  75 and name C)
       (resid  76 and name N )                                64.530   68.930
                                  
assign (resid  75  and name C ) (resid  76 and name N)
       (resid  76  and name CA) (resid  76 and name C)
       (resid  77 and name N )                                58.540   40.740
                                  
assign (resid  76  and name C ) (resid  77 and name N)
       (resid  77  and name CA) (resid  77 and name C)
       (resid  78 and name N )                                55.750   43.040
                                  
assign (resid 100  and name C ) (resid 101 and name N)
       (resid 101  and name CA) (resid 101 and name C)
       (resid 102 and name N )                                44.940    0.000
                                  
assign (resid 101  and name C ) (resid 102 and name N)
       (resid 102  and name CA) (resid 102 and name C)
       (resid 103 and name N )                                55.760   38.560
                                  
assign (resid 102  and name C ) (resid 103 and name N)
       (resid 103  and name CA) (resid 103 and name C)
       (resid 104 and name N )                                59.070   38.600
                                  
assign (resid 103  and name C ) (resid 104 and name N)
       (resid 104  and name CA) (resid 104 and name C)
       (resid 105 and name N )                                61.760   32.950
                                  
assign (resid 104  and name C ) (resid 105 and name N)
       (resid 105  and name CA) (resid 105 and name C)
       (resid 106 and name N )                                55.920   30.730
                                  
assign (resid 105  and name C ) (resid 106 and name N)
       (resid 106  and name CA) (resid 106 and name C)
       (resid 107 and name N )                                50.890   14.910
                                  
assign (resid 106  and name C ) (resid 107 and name N)
       (resid 107  and name CA) (resid 107 and name C)
       (resid 108 and name N )                                63.670   31.100
                                  
assign (resid 107  and name C ) (resid 108 and name N)
       (resid 108  and name CA) (resid 108 and name C)
       (resid 109 and name N )                                54.690   28.800
                                  
assign (resid 108  and name C ) (resid 109 and name N)
       (resid 109  and name CA) (resid 109 and name C)
       (resid 110 and name N )                                52.630   41.100
                                  
assign (resid 109  and name C ) (resid 110 and name N)
       (resid 110  and name CA) (resid 110 and name C)
       (resid 111 and name N )                                45.490    0.000
                                  
assign (resid 110  and name C ) (resid 111 and name N)
       (resid 111  and name CA) (resid 111 and name C)
       (resid 112 and name N )                                53.400   30.810
                                  
assign (resid 111  and name C ) (resid 112 and name N)
       (resid 112  and name CA) (resid 112 and name C)
       (resid 113 and name N )                                50.420   20.640
                                  
assign (resid 112  and name C ) (resid 113 and name N)
       (resid 113  and name CA) (resid 113 and name C)
       (resid 114 and name N )                                59.120   43.720
                                  
assign (resid 113  and name C ) (resid 114 and name N)
       (resid 114  and name CA) (resid 114 and name C)
       (resid 115 and name N )                                59.180   33.310
                                  
assign (resid 114  and name C ) (resid 115 and name N)
       (resid 115  and name CA) (resid 115 and name C)
       (resid 116 and name N )                                53.460   33.140
                                  
assign (resid 115  and name C ) (resid 116 and name N)
       (resid 116  and name CA) (resid 116 and name C)
       (resid 117 and name N )                                55.770   37.190
                                  
assign (resid 116  and name C ) (resid 117 and name N)
       (resid 117  and name CA) (resid 117 and name C)
       (resid 118 and name N )                                56.510   40.390
                                  
assign (resid 117  and name C ) (resid 118 and name N)
       (resid 118  and name CA) (resid 118 and name C)
       (resid 119 and name N )                                45.490    0.000
                                  
assign (resid 118  and name C ) (resid 119 and name N)
       (resid 119  and name CA) (resid 119 and name C)
       (resid 120 and name N )                                53.860   33.590
                                  
assign (resid 119  and name C ) (resid 120 and name N)
       (resid 120  and name CA) (resid 120 and name C)
       (resid 121 and name N )                                55.910   29.880
                                  
assign (resid 120  and name C ) (resid 121 and name N)
       (resid 121  and name CA) (resid 121 and name C)
       (resid 122 and name N )                                59.640   35.320
                                  
assign (resid 121  and name C ) (resid 122 and name N)
       (resid 122  and name CA) (resid 122 and name C)
       (resid 123 and name N )                                55.660   42.030
                                  
assign (resid 122  and name C ) (resid 123 and name N)
       (resid 123  and name CA) (resid 123 and name C)
       (resid 124 and name N )                                57.620   41.580
                                  
assign (resid 123  and name C ) (resid 124 and name N)
       (resid 124  and name CA) (resid 124 and name C)
       (resid 125 and name N )                                60.890   62.190
                                  
assign (resid 124  and name C ) (resid 125 and name N)
       (resid 125  and name CA) (resid 125 and name C)
       (resid 126 and name N )                                64.530   68.930
                                  
assign (resid 125  and name C ) (resid 126 and name N)
       (resid 126  and name CA) (resid 126 and name C)
       (resid 127 and name N )                                58.540   40.740
                                  
assign (resid 126  and name C ) (resid 127 and name N)
       (resid 127  and name CA) (resid 127 and name C)
       (resid 128 and name N )                                55.750   43.040
    

                              
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   3  and name N   )
       ( resid   3  and name HN  )   2.948   0.081
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   5  and name N   )
       ( resid   5  and name HN  )   3.277   0.079
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   6  and name N   )
       ( resid   6  and name HN  )   3.116   0.101
                                  
!assign ( resid 500  and name OO  )
!       ( resid 500  and name Z   )
!       ( resid 500  and name X   )
!       ( resid 500  and name Y   )
!       ( resid   8  and name N   )
!       ( resid   8  and name HN  )   3.527   0.226
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   9  and name N   )
       ( resid   9  and name HN  )   2.888   0.080
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  10  and name N   )
       ( resid  10  and name HN  )   3.191   0.087
                                  
!assign ( resid 500  and name OO  )
!! ( resid 500  and name Z   )
!! ( resid 500  and name X   )
!! ( resid 500  and name Y   )
!! ( resid  11  and name N   )
!! ( resid  11  and name HN  )   3.318   0.083
!
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  12  and name N   )
       ( resid  12  and name HN  )   3.252   0.059
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  13  and name N   )
       ( resid  13  and name HN  )   3.184   0.081
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  14  and name N   )
       ( resid  14  and name HN  )   3.060   0.075
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  15  and name N   )
       ( resid  15  and name HN  )   3.034   0.071
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  16  and name N   )
       ( resid  16  and name HN  )   3.035   0.072
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  17  and name N   )
       ( resid  17  and name HN  )   3.228   0.108
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  18  and name N   )
       ( resid  18  and name HN  )   2.910   0.085
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  19  and name N   )
       ( resid  19  and name HN  )   3.169   0.066
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  20  and name N   )
       ( resid  20  and name HN  )   2.975   0.071
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  21  and name N   )
       ( resid  21  and name HN  )   2.878   0.071
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  22  and name N   )
       ( resid  22  and name HN  )   2.988   0.051
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  23  and name N   )
       ( resid  23  and name HN  )   3.087   0.066
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  24  and name N   )
       ( resid  24  and name HN  )   3.209   0.048
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  25  and name N   )
       ( resid  25  and name HN  )   3.121   0.057
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  26  and name N   )
       ( resid  26  and name HN  )   2.971   0.056
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  27  and name N   )
       ( resid  27  and name HN  )   3.039   0.060
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  53  and name N   )
       ( resid  53  and name HN  )   2.948   0.081
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  55  and name N   )
       ( resid  55  and name HN  )   3.277   0.079
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  56  and name N   )
       ( resid  56  and name HN  )   3.116   0.101
                                  
!assign ( resid 500  and name OO  )
! ( resid 500  and name Z   )
! ( resid 500  and name X   )
! ( resid 500  and name Y   )
! ( resid  58  and name N   )
! ( resid  58  and name HN  )   3.527   0.226
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  59  and name N   )
       ( resid  59  and name HN  )   2.888   0.080
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  60  and name N   )
       ( resid  60  and name HN  )   3.191   0.087
                                  
!assign ( resid 500  and name OO  )
! ( resid 500  and name Z   )
! ( resid 500  and name X   )
! ( resid 500  and name Y   )
! ( resid  61  and name N   )
! ( resid  61  and name HN  )   3.318   0.083
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  62  and name N   )
       ( resid  62  and name HN  )   3.252   0.059
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  63  and name N   )
       ( resid  63  and name HN  )   3.184   0.081
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  64  and name N   )
       ( resid  64  and name HN  )   3.060   0.075
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  65  and name N   )
       ( resid  65  and name HN  )   3.034   0.071
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  66  and name N   )
       ( resid  66  and name HN  )   3.035   0.072
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  67  and name N   )
       ( resid  67  and name HN  )   3.228   0.108
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  68  and name N   )
       ( resid  68  and name HN  )   2.910   0.085
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  69  and name N   )
       ( resid  69  and name HN  )   3.169   0.066
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  70  and name N   )
       ( resid  70  and name HN  )   2.975   0.071
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  71  and name N   )
       ( resid  71  and name HN  )   2.878   0.071
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  72  and name N   )
       ( resid  72  and name HN  )   2.988   0.051
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  73  and name N   )
       ( resid  73  and name HN  )   3.087   0.066
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  74  and name N   )
       ( resid  74  and name HN  )   3.209   0.048
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  75  and name N   )
       ( resid  75  and name HN  )   3.121   0.057
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  76  and name N   )
       ( resid  76  and name HN  )   2.971   0.056
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  77  and name N   )
       ( resid  77  and name HN  )   3.039   0.060
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 103  and name N   )
       ( resid 103  and name HN  )   2.948   0.081
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 105  and name N   )
       ( resid 105  and name HN  )   3.277   0.079
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 106  and name N   )
       ( resid 106  and name HN  )   3.116   0.101
                                  
!assign ( resid 500  and name OO  )
! ( resid 500  and name Z   )
! ( resid 500  and name X   )
! ( resid 500  and name Y   )
! ( resid 108  and name N   )
! ( resid 108  and name HN  )   3.527   0.226
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 109  and name N   )
       ( resid 109  and name HN  )   2.888   0.080
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 110  and name N   )
       ( resid 110  and name HN  )   3.191   0.087
                                  
!assign ( resid 500  and name OO  )
! ( resid 500  and name Z   )
! ( resid 500  and name X   )
! ( resid 500  and name Y   )
! ( resid 111  and name N   )
! ( resid 111  and name HN  )   3.318   0.083
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 112  and name N   )
       ( resid 112  and name HN  )   3.252   0.059
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 113  and name N   )
       ( resid 113  and name HN  )   3.184   0.081
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 114  and name N   )
       ( resid 114  and name HN  )   3.060   0.075
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 115  and name N   )
       ( resid 115  and name HN  )   3.034   0.071
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 116  and name N   )
       ( resid 116  and name HN  )   3.035   0.072
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 117  and name N   )
       ( resid 117  and name HN  )   3.228   0.108
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 118  and name N   )
       ( resid 118  and name HN  )   2.910   0.085
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 119  and name N   )
       ( resid 119  and name HN  )   3.169   0.066
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 120  and name N   )
       ( resid 120  and name HN  )   2.975   0.071
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 121  and name N   )
       ( resid 121  and name HN  )   2.878   0.071
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 122  and name N   )
       ( resid 122  and name HN  )   2.988   0.051
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 123  and name N   )
       ( resid 123  and name HN  )   3.087   0.066
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 124  and name N   )
       ( resid 124  and name HN  )   3.209   0.048
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 125  and name N   )
       ( resid 125  and name HN  )   3.121   0.057
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 126  and name N   )
       ( resid 126  and name HN  )   2.971   0.056
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 127  and name N   )
       ( resid 127  and name HN  )   3.039   0.060



assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  22 and name CD1 ) 
       ( resid  22 and name CG ) 2.74723 0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  27 and name CD2 )  
       ( resid  27 and name CG  )    -9.27495 0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  14 and name CG1 )  
       ( resid  14 and name CB  )    0.350511 0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  23 and name CD1 )  
       ( resid  23 and name CG  )    -11.6551 0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  22 and name CD2 )  
       ( resid  22 and name CB  )    -11.2123 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  27 and name CD1 )  
       ( resid  27 and name CG  )    -10.0873 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  21 and name CG2 )  
       ( resid  21 and name CB  )    -4.38408 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  21 and name CG1 )  
       ( resid  21 and name CB  )    10.8522 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  25 and name CG2 )  
       ( resid  25 and name CB  )    -13.3504 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  12 and name CB  )
       ( resid  12 and name CA  )    5.11028 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  14 and name CG2 )  
       ( resid  14 and name CB  )    -3.56412 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  3  and name CG2 )  
       ( resid  3  and name CB  )    -1.77032 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  3  and name CD1 )  
       ( resid  3  and name CG1 )     21.6699 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  6  and name CB  )
       ( resid  6  and name CA  )    13.8701 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  72 and name CD1 ) 
       ( resid  72 and name CG ) 2.74723 0
                               
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  77 and name CD2 )  
       ( resid  77 and name CG  )    -9.27495 0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  64 and name CG1 )  
       ( resid  64 and name CB  )    0.350511 0
                                 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  73 and name CD1 )  
       ( resid  73 and name CG  )    -11.6551 0
                                
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  72 and name CD2 )  
       ( resid  72 and name CB  )    -11.2123 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  77 and name CD1 )  
       ( resid  77 and name CG  )    -10.0873 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  71 and name CG2 )  
       ( resid  71 and name CB  )    -4.38408 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  71 and name CG1 )  
       ( resid  71 and name CB  )    10.8522 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  75 and name CG2 )  
       ( resid  75 and name CB  )    -13.3504 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  62 and name CB  )
       ( resid  62 and name CA  )    5.11028 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  64 and name CG2 )  
       ( resid  64 and name CB  )    -3.56412 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  53  and name CG2 )  
       ( resid  53  and name CB )    -1.77032 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  53  and name CD1 )  
       ( resid  53  and name CG1 )     21.6699 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  56  and name CB )
       ( resid  56  and name CA )    13.8701 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  122 and name CD1 ) 
       ( resid  122 and name CG )   2.74723 0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  127 and name CD2 )  
       ( resid  127 and name CG  )    -9.27495 0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  114 and name CG1 )  
       ( resid  114 and name CB  )    0.350511 0   
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  123 and name CD1 )  
       ( resid  123 and name CG  )    -11.6551 0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  122 and name CD2 )  
       ( resid  122 and name CB  )    -11.2123 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  127 and name CD1 )  
       ( resid  127 and name CG  )    -10.0873 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  121 and name CG2 )  
       ( resid  121 and name CB  )    -4.38408 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  121 and name CG1 )  
       ( resid  121 and name CB  )    10.8522 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  125 and name CG2 )  
       ( resid  125 and name CB  )    -13.3504 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  112 and name CB  )
       ( resid  112 and name CA  )    5.11028 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  114 and name CG2 )  
       ( resid  114 and name CB  )    -3.56412 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  103  and name CG2 )  
       ( resid  103  and name CB )    -1.77032 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  103  and name CD1 )  
       ( resid  103  and name CG1 )     21.6699 0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  106  and name CB )
       ( resid  106  and name CA )    13.8701 0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   5  and name N   )
       ( resid   5  and name HN  )  24.199   0.010
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   6  and name N   )
       ( resid   6  and name HN  ) -14.550   1.470
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   8  and name N   )
       ( resid   8  and name HN  )  -0.089   0.179
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   9  and name N   )
       ( resid   9  and name HN  ) -11.041   0.048
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  10  and name N   )
       ( resid  10  and name HN  )  18.131   1.177
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  12  and name N   )
       ( resid  12  and name HN  )  22.792   3.338
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  13  and name N   )
       ( resid  13  and name HN  )   2.096   0.395
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  14  and name N   )
       ( resid  14  and name HN  ) -11.723   0.752
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  15  and name N   )
       ( resid  15  and name HN  )  -9.381   0.626
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  16  and name N   )
       ( resid  16  and name HN  )  -3.560   0.264
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  17  and name N   )
       ( resid  17  and name HN  )  -8.615   1.355
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  18  and name N   )
       ( resid  18  and name HN  ) -10.077   0.444
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  19  and name N   )
       ( resid  19  and name HN  )  10.159   1.907
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  20  and name N   )
       ( resid  20  and name HN  )   0.195   0.349
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  21  and name N   )
       ( resid  21  and name HN  ) -12.843   3.075
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  22  and name N   )
       ( resid  22  and name HN  ) -12.869   0.233
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  23  and name N   )
       ( resid  23  and name HN  )   1.099   0.659
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  24  and name N   )
       ( resid  24  and name HN  )   3.833   0.714
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  25  and name N   )
       ( resid  25  and name HN  )  23.687   2.617
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  26  and name N   )
       ( resid  26  and name HN  )   2.119   0.673
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  27  and name N   )
       ( resid  27  and name HN  )  -3.310   0.168
                                                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  55  and name N   )
       ( resid  55  and name HN  )  24.199   0.010
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  56  and name N   )
       ( resid  56  and name HN  ) -14.550   1.470
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  58  and name N   )
       ( resid  58  and name HN  )  -0.089   0.179
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  59  and name N   )
       ( resid  59  and name HN  ) -11.041   0.048
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  60  and name N   )
       ( resid  60  and name HN  )  18.131   1.177
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  62  and name N   )
       ( resid  62  and name HN  )  22.792   3.338
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  63  and name N   )
       ( resid  63  and name HN  )   2.096   0.395
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  64  and name N   )
       ( resid  64  and name HN  ) -11.723   0.752
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  65  and name N   )
       ( resid  65  and name HN  )  -9.381   0.626
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  66  and name N   )
       ( resid  66  and name HN  )  -3.560   0.264
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  67  and name N   )
       ( resid  67  and name HN  )  -8.615   1.355
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  68  and name N   )
       ( resid  68  and name HN  ) -10.077   0.444
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  69  and name N   )
       ( resid  69  and name HN  )  10.159   1.907
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  70  and name N   )
       ( resid  70  and name HN  )   0.195   0.349
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  71  and name N   )
       ( resid  71  and name HN  ) -12.843   3.075
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  72  and name N   )
       ( resid  72  and name HN  ) -12.869   0.233
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  73  and name N   )
       ( resid  73  and name HN  )   1.099   0.659
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  74  and name N   )
       ( resid  74  and name HN  )   3.833   0.714
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  75  and name N   )
       ( resid  75  and name HN  )  23.687   2.617
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  76  and name N   )
       ( resid  76  and name HN  )   2.119   0.673
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  77  and name N   )
       ( resid  77  and name HN  )  -3.310   0.168
                                                                   
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 105  and name N   )
       ( resid 105  and name HN  )  24.199   0.010
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 106  and name N   )
       ( resid 106  and name HN  ) -14.550   1.470
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 108  and name N   )
       ( resid 108  and name HN  )  -0.089   0.179
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 109  and name N   )
       ( resid 109  and name HN  ) -11.041   0.048
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 110  and name N   )
       ( resid 110  and name HN  )  18.131   1.177
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 112  and name N   )
       ( resid 112  and name HN  )  22.792   3.338
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 113  and name N   )
       ( resid 113  and name HN  )   2.096   0.395
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 114  and name N   )
       ( resid 114  and name HN  ) -11.723   0.752
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 115  and name N   )
       ( resid 115  and name HN  )  -9.381   0.626
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 116  and name N   )
       ( resid 116  and name HN  )  -3.560   0.264
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 117  and name N   )
       ( resid 117  and name HN  )  -8.615   1.355
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 118  and name N   )
       ( resid 118  and name HN  ) -10.077   0.444
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 119  and name N   )
       ( resid 119  and name HN  )  10.159   1.907
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 120  and name N   )
       ( resid 120  and name HN  )   0.195   0.349
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 121  and name N   )
       ( resid 121  and name HN  ) -12.843   3.075
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 122  and name N   )
       ( resid 122  and name HN  ) -12.869   0.233
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 123  and name N   )
       ( resid 123  and name HN  )   1.099   0.659
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 124  and name N   )
       ( resid 124  and name HN  )   3.833   0.714
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 125  and name N   )
       ( resid 125  and name HN  )  23.687   2.617
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 126  and name N   )
       ( resid 126  and name HN  )   2.119   0.673
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 127  and name N   )
       ( resid 127  and name HN  )  -3.310   0.168
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  20  and name NE1   )
       ( resid  20  and name HE1  )  23.873   2.000
  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  70  and name NE1   )
       ( resid  70  and name HE1  )  23.873   2.000
  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 120  and name NE1   )
       ( resid 120  and name HE1  )  23.873   2.000
                                                                   
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       (  resid  11  and name CD   )
       ( resid  11  and name NE2  )  -5.3   0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       (  resid  61  and name CD   )
       ( resid  61  and name NE2  )  -5.3   0
  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       (  resid  111  and name CD   )
       ( resid  111  and name NE2  )  -5.3   0
                                
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   8  and name CA  )
       ( resid   8  and name CB  )  12.104   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   9  and name CA  )
       ( resid   9  and name CB  )  -5.027   0
                                                             
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  12  and name CA  )
       ( resid  12  and name CB  )   2.459   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  15  and name CA  )
       ( resid  15  and name CB  )  11.612   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  16  and name CA  )
       ( resid  16  and name CB  )  21.038   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  17  and name CA  )
       ( resid  17  and name CB  )  -0.191   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  19  and name CA  )
       ( resid  19  and name CB  )  -4.399   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  22  and name CA  )
       ( resid  22  and name CB  )  -3.087   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  23  and name CA  )
       ( resid  23  and name CB  ) -15.055   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  24  and name CA  )
       ( resid  24  and name CB  )  -9.153   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  25  and name CA  )
       ( resid  25  and name CB  )   7.760   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  27  and name CA  )
       ( resid  27  and name CB  ) -10.328   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  58  and name CA  )
       ( resid  58  and name CB  )  12.104   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  59  and name CA  )
       ( resid  59  and name CB  )  -5.027   0
                                                                 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  62  and name CA  )
       ( resid  62  and name CB  )   2.459   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  65  and name CA  )
       ( resid  65  and name CB  )  11.612   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  66  and name CA  )
       ( resid  66  and name CB  )  21.038   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  67  and name CA  )
       ( resid  67  and name CB  )  -0.191   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  69  and name CA  )
       ( resid  69  and name CB  )  -4.399   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  72  and name CA  )
       ( resid  72  and name CB  )  -3.087   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  73  and name CA  )
       ( resid  73  and name CB  ) -15.055   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  74  and name CA  )
       ( resid  74  and name CB  )  -9.153   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  75  and name CA  )
       ( resid  75  and name CB  )   7.760   0
                                 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  77  and name CA  )
       ( resid  77  and name CB  ) -10.328   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 108  and name CA  )
       ( resid 108  and name CB  )  12.104   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 109  and name CA  )
       ( resid 109  and name CB  )  -5.027   0
                                                                   
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 112  and name CA  )
       ( resid 112  and name CB  )   2.459   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 115  and name CA  )
       ( resid 115  and name CB  )  11.612   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 116  and name CA  )
       ( resid 116  and name CB  )  21.038   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 117  and name CA  )
       ( resid 117  and name CB  )  -0.191   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 119  and name CA  )
       ( resid 119  and name CB  )  -4.399   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 122  and name CA  )
       ( resid 122  and name CB  )  -3.087   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 123  and name CA  )
       ( resid 123  and name CB  ) -15.055   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 124  and name CA  )
       ( resid 124  and name CB  )  -9.153   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 125  and name CA  )
       ( resid 125  and name CB  )   7.760   0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 127  and name CA  )
       ( resid 127  and name CB  ) -10.328   0
                                 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   3  and name CA  ) 
       ( resid   3  and name HA  ) -12.6984  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   4  and name CA  ) 
       ( resid   4  and name HA  )   7.2505  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   5  and name CA  ) 
       ( resid   5  and name HA  )  -5.0116  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   6  and name CA  ) 
       ( resid   6  and name HA  ) -12.2991  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   7  and name CA  ) 
       ( resid   7  and name HA  )  13.8765  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   8  and name CA  ) 
       ( resid   8  and name HA  )  -3.7551  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   9  and name CA  ) 
       ( resid   9  and name HA  ) -10.2915  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  11  and name CA  ) 
       ( resid  11  and name HA  )  15.6989  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  13  and name CA  ) 
       ( resid  13  and name HA  )   5.1619  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  14  and name CA  ) 
       ( resid  14  and name HA  )  -6.5628  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  17  and name CA  ) 
       ( resid  17  and name HA  )  -7.5420  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  19  and name CA  ) 
       ( resid  19  and name HA  )  14.2950  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  20  and name CA  ) 
       ( resid  20  and name HA  )  -8.9438  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  21  and name CA  ) 
       ( resid  21  and name HA  ) -10.2039  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  22  and name CA  ) 
       ( resid  22  and name HA  )  -1.5390  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  23  and name CA  ) 
       ( resid  23  and name HA  ) -11.6837  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  24  and name CA  ) 
       ( resid  24  and name HA  )   1.7728  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  25  and name CA  ) 
       ( resid  25  and name HA  )   2.5967  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  26  and name CA  ) 
       ( resid  26  and name HA  )  -8.5911  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  27  and name CA  ) 
       ( resid  27  and name HA  )  -9.7768  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  53  and name CA  ) 
       ( resid  53  and name HA  ) -12.6984  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  54  and name CA  ) 
       ( resid  54  and name HA  )   7.2505  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  55  and name CA  ) 
       ( resid  55  and name HA  )  -5.0116  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  56  and name CA  ) 
       ( resid  56  and name HA  ) -12.2991  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  57  and name CA  ) 
       ( resid  57  and name HA  )  13.8765  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  58  and name CA  ) 
       ( resid  58  and name HA  )  -3.7551  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  59  and name CA  ) 
       ( resid  59  and name HA  ) -10.2915  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  61  and name CA  ) 
       ( resid  61  and name HA  )  15.6989  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  63  and name CA  ) 
       ( resid  63  and name HA  )   5.1619  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  64  and name CA  ) 
       ( resid  64  and name HA  )  -6.5628  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  67  and name CA  ) 
       ( resid  67  and name HA  )  -7.5420  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  69  and name CA  ) 
       ( resid  69  and name HA  )  14.2950  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  70  and name CA  ) 
       ( resid  70  and name HA  )  -8.9438  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  71  and name CA  ) 
       ( resid  71  and name HA  ) -10.2039  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  72  and name CA  ) 
       ( resid  72  and name HA  )  -1.5390  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  73  and name CA  ) 
       ( resid  73  and name HA  ) -11.6837  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  74  and name CA  ) 
       ( resid  74  and name HA  )   1.7728  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  75  and name CA  ) 
       ( resid  75  and name HA  )   2.5967  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  76  and name CA  ) 
       ( resid  76  and name HA  )  -8.5911  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  77  and name CA  ) 
       ( resid  77  and name HA  )  -9.7768  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 103  and name CA  ) 
       ( resid 103  and name HA  ) -12.6984  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 104  and name CA  ) 
       ( resid 104  and name HA  )   7.2505  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 105  and name CA  ) 
       ( resid 105  and name HA  )  -5.0116  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 106  and name CA  ) 
       ( resid 106  and name HA  ) -12.2991  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 107  and name CA  ) 
       ( resid 107  and name HA  )  13.8765  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 108  and name CA  ) 
       ( resid 108  and name HA  )  -3.7551  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 109  and name CA  ) 
       ( resid 109  and name HA  ) -10.2915  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 111  and name CA  ) 
       ( resid 111  and name HA  )  15.6989  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 113  and name CA  ) 
       ( resid 113  and name HA  )   5.1619  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 114  and name CA  ) 
       ( resid 114  and name HA  )  -6.5628  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 117  and name CA  ) 
       ( resid 117  and name HA  )  -7.5420  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 119  and name CA  ) 
       ( resid 119  and name HA  )  14.2950  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 120  and name CA  ) 
       ( resid 120  and name HA  )  -8.9438  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 121  and name CA  ) 
       ( resid 121  and name HA  ) -10.2039  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 122  and name CA  ) 
       ( resid 122  and name HA  )  -1.5390  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 123  and name CA  ) 
       ( resid 123  and name HA  ) -11.6837  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 124  and name CA  ) 
       ( resid 124  and name HA  )   1.7728  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 125  and name CA  ) 
       ( resid 125  and name HA  )   2.5967  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 126  and name CA  ) 
       ( resid 126  and name HA  )  -8.5911  0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 127  and name CA  ) 
       ( resid 127  and name HA  )  -9.7768  0
                                                   
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   7  and name C   )
       ( resid   8  and name N  ) -11.938   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  11  and name C   )
       ( resid  12  and name N  )   3.260   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  12  and name C   )
       ( resid  13  and name N  )  11.410   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  15  and name C   )
       ( resid  16  and name N  ) -12.731   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  16  and name C   )
       ( resid  17  and name N  )  -2.203   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  17  and name C   )
       ( resid  18  and name N  )  -0.088   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  18  and name C   )
       ( resid  19  and name N  )  24.581   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  19  and name C   )
       ( resid  20  and name N  )  -8.590   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  23  and name C   )
       ( resid  24  and name N  )  -8.590   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  24  and name C   )
       ( resid  25  and name N  )   6.696   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  25  and name C   )
       ( resid  26  and name N  ) -11.057   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  26  and name C   )
       ( resid  27  and name N  )  -8.106   0
                                                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  57  and name C   )
       ( resid  58  and name N  ) -11.938   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  61  and name C   )
       ( resid  62  and name N  )   3.260   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  62  and name C   )
       ( resid  63  and name N  )  11.410   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  65  and name C   )
       ( resid  66  and name N  ) -12.731   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  66  and name C   )
       ( resid  67  and name N  )  -2.203   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  67  and name C   )
       ( resid  68  and name N  )  -0.088   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  68  and name C   )
       ( resid  69  and name N  )  24.581   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  69  and name C   )
       ( resid  70  and name N  )  -8.590   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  73  and name C   )
       ( resid  74  and name N  )  -8.590   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  74  and name C   )
       ( resid  75  and name N  )   6.696   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  75  and name C   )
       ( resid  76  and name N  ) -11.057   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  76  and name C   )
       ( resid  77  and name N  )  -8.106   0
                                                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 107  and name C   )
       ( resid 108  and name N  ) -11.938   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 111  and name C   )
       ( resid 112  and name N  )   3.260   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 112  and name C   )
       ( resid 113  and name N  )  11.410   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 115  and name C   )
       ( resid 116  and name N  ) -12.731   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 116  and name C   )
       ( resid 117  and name N  )  -2.203   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 117  and name C   )
       ( resid 118  and name N  )  -0.088   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 118  and name C   )
       ( resid 119  and name N  )  24.581   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 119  and name C   )
       ( resid 120  and name N  )  -8.590   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 123  and name C   )
       ( resid 124  and name N  )  -8.590   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 124  and name C   )
       ( resid 125  and name N  )   6.696   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 125  and name C   )
       ( resid 126  and name N  ) -11.057   0
                                  
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 126  and name C   )
       ( resid 127  and name N  )  -8.106   0

assign ( resid   1  and name C   )
       ( resid   2  and name N   )
       ( resid   2  and name CA  )
       ( resid   2  and name C   )   1.0 -115.13   18.95     2
assign ( resid   2  and name N   )
       ( resid   2  and name CA  )
       ( resid   2  and name C   )
       ( resid   3  and name N   )   1.0  141.75   24.94     2
                                  
assign ( resid   2  and name C   )
       ( resid   3  and name N   )
       ( resid   3  and name CA  )
       ( resid   3  and name C   )   1.0 -104.33   18.14     2
assign ( resid   3  and name N   )
       ( resid   3  and name CA  )
       ( resid   3  and name C   )
       ( resid   4  and name N   )   1.0  127.23   29.77     2
                                  
assign ( resid   3  and name C   )
       ( resid   4  and name N   )
       ( resid   4  and name CA  )
       ( resid   4  and name C   )   1.0  -73.29   20.17     2
assign ( resid   4  and name N   )
       ( resid   4  and name CA  )
       ( resid   4  and name C   )
       ( resid   5  and name N   )   1.0  148.82   11.21     2
                                  
assign ( resid   4  and name C   )
       ( resid   5  and name N   )
       ( resid   5  and name CA  )
       ( resid   5  and name C   )   1.0  -91.00   32.17     2
assign ( resid   5  and name N   )
       ( resid   5  and name CA  )
       ( resid   5  and name C   )
       ( resid   6  and name N   )   1.0  130.45   11.06     2
                                  
assign ( resid   5  and name C   )
       ( resid   6  and name N   )
       ( resid   6  and name CA  )
       ( resid   6  and name C   )   1.0  -77.01   18.73     2
                                                                   
assign ( resid   7  and name C   )
       ( resid   8  and name N   )
       ( resid   8  and name CA  )
       ( resid   8  and name C   )   1.0  -86.73   24.14     2
                                  
assign ( resid   8  and name C   )
       ( resid   9  and name N   )
       ( resid   9  and name CA  )
       ( resid   9  and name C   )   1.0  -93.67   31.59     2
                                  
assign ( resid   9  and name C   )
       ( resid  10  and name N   )
       ( resid  10  and name CA  )
       ( resid  10  and name C   )   1.0   88.38    8.09     2
assign ( resid  10  and name N   )
       ( resid  10  and name CA  )
       ( resid  10  and name C   )
       ( resid  11  and name N   )   1.0    3.45   10.25     2
                                  
assign ( resid  10  and name C   )
       ( resid  11  and name N   )
       ( resid  11  and name CA  )
       ( resid  11  and name C   )   1.0 -105.94   22.38     2
assign ( resid  11  and name N   )
       ( resid  11  and name CA  )
       ( resid  11  and name C   )
       ( resid  12  and name N   )   1.0  153.48   11.97     2
                                  
assign ( resid  11  and name C   )
       ( resid  12  and name N   )
       ( resid  12  and name CA  )
       ( resid  12  and name C   )   1.0 -116.69   23.38     2
assign ( resid  12  and name N   )
       ( resid  12  and name CA  )
       ( resid  12  and name C   )
       ( resid  13  and name N   )   1.0  135.66   19.25     2
                                  
assign ( resid  12  and name C   )
       ( resid  13  and name N   )
       ( resid  13  and name CA  )
       ( resid  13  and name C   )   1.0 -113.14   22.09     2
assign ( resid  13  and name N   )
       ( resid  13  and name CA  )
       ( resid  13  and name C   )
       ( resid  14  and name N   )   1.0  141.85   17.86     2
                                  
assign ( resid  13  and name C   )
       ( resid  14  and name N   )
       ( resid  14  and name CA  )
       ( resid  14  and name C   )   1.0 -123.86   19.44     2
assign ( resid  14  and name N   )
       ( resid  14  and name CA  )
       ( resid  14  and name C   )
       ( resid  15  and name N   )   1.0  142.79   14.09     2
                                  
assign ( resid  14  and name C   )
       ( resid  15  and name N   )
       ( resid  15  and name CA  )
       ( resid  15  and name C   )   1.0 -119.71   10.95     2
assign ( resid  15  and name N   )
       ( resid  15  and name CA  )
       ( resid  15  and name C   )
       ( resid  16  and name N   )   1.0  130.73   20.63     2
                                  
assign ( resid  15  and name C   )
       ( resid  16  and name N   )
       ( resid  16  and name CA  )
       ( resid  16  and name C   )   1.0 -116.88   14.35     2
assign ( resid  16  and name N   )
       ( resid  16  and name CA  )
       ( resid  16  and name C   )
       ( resid  17  and name N   )   1.0  118.97   14.47     2
                                  
assign ( resid  16  and name C   )
       ( resid  17  and name N   )
       ( resid  17  and name CA  )
       ( resid  17  and name C   )   1.0   59.21   11.33     2
assign ( resid  17  and name N   )
       ( resid  17  and name CA  )
       ( resid  17  and name C   )
       ( resid  18  and name N   )   1.0   34.79    9.91     2
                                  
assign ( resid  17  and name C   )
       ( resid  18  and name N   )
       ( resid  18  and name CA  )
       ( resid  18  and name C   )   1.0   79.23   16.73     2
assign ( resid  18  and name N   )
       ( resid  18  and name CA  )
       ( resid  18  and name C   )
       ( resid  19  and name N   )   1.0    6.66    9.67     2
                                  
assign ( resid  18  and name C   )
       ( resid  19  and name N   )
       ( resid  19  and name CA  )
       ( resid  19  and name C   )   1.0 -123.15   11.33     2
assign ( resid  19  and name N   )
       ( resid  19  and name CA  )
       ( resid  19  and name C   )
       ( resid  20  and name N   )   1.0  149.16   14.02     2
                                  
assign ( resid  19  and name C   )
       ( resid  20  and name N   )
       ( resid  20  and name CA  )
       ( resid  20  and name C   )   1.0  -98.39   18.96     2
assign ( resid  20  and name N   )
       ( resid  20  and name CA  )
       ( resid  20  and name C   )
       ( resid  21  and name N   )   1.0  122.74   13.21     2
                                  
assign ( resid  20  and name C   )
       ( resid  21  and name N   )
       ( resid  21  and name CA  )
       ( resid  21  and name C   )   1.0 -113.21   18.51     2
assign ( resid  21  and name N   )
       ( resid  21  and name CA  )
       ( resid  21  and name C   )
       ( resid  22  and name N   )   1.0  134.02   18.88     2
                                  
assign ( resid  21  and name C   )
       ( resid  22  and name N   )
       ( resid  22  and name CA  )
       ( resid  22  and name C   )   1.0  -68.64   16.71     2
assign ( resid  22  and name N   )
       ( resid  22  and name CA  )
       ( resid  22  and name C   )
       ( resid  23  and name N   )   1.0  137.32   14.80     2
                                  
assign ( resid  22  and name C   )
       ( resid  23  and name N   )
       ( resid  23  and name CA  )
       ( resid  23  and name C   )   1.0  -68.20   10.28     2
assign ( resid  23  and name N   )
       ( resid  23  and name CA  )
       ( resid  23  and name C   )
       ( resid  24  and name N   )   1.0  -40.24    3.76     2
                                  
assign ( resid  23  and name C   )
       ( resid  24  and name N   )
       ( resid  24  and name CA  )
       ( resid  24  and name C   )   1.0  -90.41   21.12     2
assign ( resid  24  and name N   )
       ( resid  24  and name CA  )
       ( resid  24  and name C   )
       ( resid  25  and name N   )   1.0   -0.21   25.98     2

assign ( resid  25  and name N   )
       ( resid  25  and name CA  )
       ( resid  25  and name C   )
       ( resid  26  and name N   )   1.0    9.88   27.58     2

assign ( resid  25  and name C   )
       ( resid  26  and name N   )
       ( resid  26  and name CA  )
       ( resid  26  and name C   )   1.0  -90.22   17.82     2
                                 
assign ( resid  51  and name C   )
       ( resid  52  and name N   )
       ( resid  52  and name CA  )
       ( resid  52  and name C   )   1.0 -115.13   18.95     2
assign ( resid  52  and name N   )
       ( resid  52  and name CA  )
       ( resid  52  and name C   )
       ( resid  53  and name N   )   1.0  141.75   24.94     2
                                  
assign ( resid  52  and name C   )
       ( resid  53  and name N   )
       ( resid  53  and name CA  )
       ( resid  53  and name C   )   1.0 -104.33   18.14     2
assign ( resid  53  and name N   )
       ( resid  53  and name CA  )
       ( resid  53  and name C   )
       ( resid  54  and name N   )   1.0  127.23   29.77     2
                                  
assign ( resid  53  and name C   )
       ( resid  54  and name N   )
       ( resid  54  and name CA  )
       ( resid  54  and name C   )   1.0  -73.29   20.17     2
assign ( resid  54  and name N   )
       ( resid  54  and name CA  )
       ( resid  54  and name C   )
       ( resid  55  and name N   )   1.0  148.82   11.21     2
                                  
assign ( resid  54  and name C   )
       ( resid  55  and name N   )
       ( resid  55  and name CA  )
       ( resid  55  and name C   )   1.0  -91.00   32.17     2
assign ( resid  55  and name N   )
       ( resid  55  and name CA  )
       ( resid  55  and name C   )
       ( resid  56  and name N   )   1.0  130.45   11.06     2
                                  
assign ( resid  55  and name C   )
       ( resid  56  and name N   )
       ( resid  56  and name CA  )
       ( resid  56  and name C   )   1.0  -77.01   18.73     2
                                                                  
assign ( resid  57  and name C   )
       ( resid  58  and name N   )
       ( resid  58  and name CA  )
       ( resid  58  and name C   )   1.0  -86.73   24.14     2
                                 
assign ( resid  58  and name C   )
       ( resid  59  and name N   )
       ( resid  59  and name CA  )
       ( resid  59  and name C   )   1.0  -93.67   31.59     2
                                  
assign ( resid  59  and name C   )
       ( resid  60  and name N   )
       ( resid  60  and name CA  )
       ( resid  60  and name C   )   1.0   88.38    8.09     2
assign ( resid  60  and name N   )
       ( resid  60  and name CA  )
       ( resid  60  and name C   )
       ( resid  61  and name N   )   1.0    3.45   10.25     2
                                  
assign ( resid  60  and name C   )
       ( resid  61  and name N   )
       ( resid  61  and name CA  )
       ( resid  61  and name C   )   1.0 -105.94   22.38     2
assign ( resid  61  and name N   )
       ( resid  61  and name CA  )
       ( resid  61  and name C   )
       ( resid  62  and name N   )   1.0  153.48   11.97     2
                                  
assign ( resid  61  and name C   )
       ( resid  62  and name N   )
       ( resid  62  and name CA  )
       ( resid  62  and name C   )   1.0 -116.69   23.38     2
assign ( resid  62  and name N   )
       ( resid  62  and name CA  )
       ( resid  62  and name C   )
       ( resid  63  and name N   )   1.0  135.66   19.25     2
                                  
assign ( resid  62  and name C   )
       ( resid  63  and name N   )
       ( resid  63  and name CA  )
       ( resid  63  and name C   )   1.0 -113.14   22.09     2
assign ( resid  63  and name N   )
       ( resid  63  and name CA  )
       ( resid  63  and name C   )
       ( resid  64  and name N   )   1.0  141.85   17.86     2
                                  
assign ( resid  63  and name C   )
       ( resid  64  and name N   )
       ( resid  64  and name CA  )
       ( resid  64  and name C   )   1.0 -123.86   19.44     2
assign ( resid  64  and name N   )
       ( resid  64  and name CA  )
       ( resid  64  and name C   )
       ( resid  65  and name N   )   1.0  142.79   14.09     2
                                  
assign ( resid  64  and name C   )
       ( resid  65  and name N   )
       ( resid  65  and name CA  )
       ( resid  65  and name C   )   1.0 -119.71   10.95     2
assign ( resid  65  and name N   )
       ( resid  65  and name CA  )
       ( resid  65  and name C   )
       ( resid  66  and name N   )   1.0  130.73   20.63     2
                                  
assign ( resid  65  and name C   )
       ( resid  66  and name N   )
       ( resid  66  and name CA  )
       ( resid  66  and name C   )   1.0 -116.88   14.35     2
assign ( resid  66  and name N   )
       ( resid  66  and name CA  )
       ( resid  66  and name C   )
       ( resid  67  and name N   )   1.0  118.97   14.47     2
                                  
assign ( resid  66  and name C   )
       ( resid  67  and name N   )
       ( resid  67  and name CA  )
       ( resid  67  and name C   )   1.0   59.21   11.33     2
assign ( resid  67  and name N   )
       ( resid  67  and name CA  )
       ( resid  67  and name C   )
       ( resid  68  and name N   )   1.0   34.79    9.91     2
                                  
assign ( resid  67  and name C   )
       ( resid  68  and name N   )
       ( resid  68  and name CA  )
       ( resid  68  and name C   )   1.0   79.23   16.73     2
assign ( resid  68  and name N   )
       ( resid  68  and name CA  )
       ( resid  68  and name C   )
       ( resid  69  and name N   )   1.0    6.66    9.67     2
                                  
assign ( resid  68  and name C   )
       ( resid  69  and name N   )
       ( resid  69  and name CA  )
       ( resid  69  and name C   )   1.0 -123.15   11.33     2
assign ( resid  69  and name N   )
       ( resid  69  and name CA  )
       ( resid  69  and name C   )
       ( resid  70  and name N   )   1.0  149.16   14.02     2
                                  
assign ( resid  69  and name C   )
       ( resid  70  and name N   )
       ( resid  70  and name CA  )
       ( resid  70  and name C   )   1.0  -98.39   18.96     2
assign ( resid  70  and name N   )
       ( resid  70  and name CA  )
       ( resid  70  and name C   )
       ( resid  71  and name N   )   1.0  122.74   13.21     2
                                  
assign ( resid  70  and name C   )
       ( resid  71  and name N   )
       ( resid  71  and name CA  )
       ( resid  71  and name C   )   1.0 -113.21   18.51     2
assign ( resid  71  and name N   )
       ( resid  71  and name CA  )
       ( resid  71  and name C   )
       ( resid  72  and name N   )   1.0  134.02   18.88     2
                                  
assign ( resid  71  and name C   )
       ( resid  72  and name N   )
       ( resid  72  and name CA  )
       ( resid  72  and name C   )   1.0  -68.64   16.71     2
assign ( resid  72  and name N   )
       ( resid  72  and name CA  )
       ( resid  72  and name C   )
       ( resid  73  and name N   )   1.0  137.32   14.80     2
                                  
assign ( resid  72  and name C   )
       ( resid  73  and name N   )
       ( resid  73  and name CA  )
       ( resid  73  and name C   )   1.0  -68.20   10.28     2
assign ( resid  73  and name N   )
       ( resid  73  and name CA  )
       ( resid  73  and name C   )
       ( resid  74  and name N   )   1.0  -40.24    3.76     2
                                  
assign ( resid  73  and name C   )
       ( resid  74  and name N   )
       ( resid  74  and name CA  )
       ( resid  74  and name C   )   1.0  -90.41   21.12     2
assign ( resid  74  and name N   )
       ( resid  74  and name CA  )
       ( resid  74  and name C   )
       ( resid  75  and name N   )   1.0   -0.21   25.98     2
                                  

assign ( resid  75  and name N   )
       ( resid  75  and name CA  )
       ( resid  75  and name C   )
       ( resid  76  and name N   )   1.0    9.88   27.58     2
                                  
assign ( resid  75  and name C   )
       ( resid  76  and name N   )
       ( resid  76  and name CA  )
       ( resid  76  and name C   )   1.0  -90.22   17.82     2
                                 
assign ( resid 101  and name C   )
       ( resid 102  and name N   )
       ( resid 102  and name CA  )
       ( resid 102  and name C   )   1.0 -115.13   18.95     2
assign ( resid 102  and name N   )
       ( resid 102  and name CA  )
       ( resid 102  and name C   )
       ( resid 103  and name N   )   1.0  141.75   24.94     2
                                  
assign ( resid 102  and name C   )
       ( resid 103  and name N   )
       ( resid 103  and name CA  )
       ( resid 103  and name C   )   1.0 -104.33   18.14     2
assign ( resid 103  and name N   )
       ( resid 103  and name CA  )
       ( resid 103  and name C   )
       ( resid 104  and name N   )   1.0  127.23   29.77     2
                                  
assign ( resid 103  and name C   )
       ( resid 104  and name N   )
       ( resid 104  and name CA  )
       ( resid 104  and name C   )   1.0  -73.29   20.17     2
assign ( resid 104  and name N   )
       ( resid 104  and name CA  )
       ( resid 104  and name C   )
       ( resid 105  and name N   )   1.0  148.82   11.21     2
                                  
assign ( resid 104  and name C   )
       ( resid 105  and name N   )
       ( resid 105  and name CA  )
       ( resid 105  and name C   )   1.0  -91.00   32.17     2
assign ( resid 105  and name N   )
       ( resid 105  and name CA  )
       ( resid 105  and name C   )
       ( resid 106  and name N   )   1.0  130.45   11.06     2
                                  
assign ( resid 105  and name C   )
       ( resid 106  and name N   )
       ( resid 106  and name CA  )
       ( resid 106  and name C   )   1.0  -77.01   18.73     2
                                  
assign ( resid 107  and name C   )
       ( resid 108  and name N   )
       ( resid 108  and name CA  )
       ( resid 108  and name C   )   1.0  -86.73   24.14     2
                                  
assign ( resid 108  and name C   )
       ( resid 109  and name N   )
       ( resid 109  and name CA  )
       ( resid 109  and name C   )   1.0  -93.67   31.59     2
                                  
assign ( resid 109  and name C   )
       ( resid 110  and name N   )
       ( resid 110  and name CA  )
       ( resid 110  and name C   )   1.0   88.38    8.09     2
assign ( resid 110  and name N   )
       ( resid 110  and name CA  )
       ( resid 110  and name C   )
       ( resid 111  and name N   )   1.0    3.45   10.25     2
                                  
assign ( resid 110  and name C   )
       ( resid 111  and name N   )
       ( resid 111  and name CA  )
       ( resid 111  and name C   )   1.0 -105.94   22.38     2
assign ( resid 111  and name N   )
       ( resid 111  and name CA  )
       ( resid 111  and name C   )
       ( resid 112  and name N   )   1.0  153.48   11.97     2
                                  
assign ( resid 111  and name C   )
       ( resid 112  and name N   )
       ( resid 112  and name CA  )
       ( resid 112  and name C   )   1.0 -116.69   23.38     2
assign ( resid 112  and name N   )
       ( resid 112  and name CA  )
       ( resid 112  and name C   )
       ( resid 113  and name N   )   1.0  135.66   19.25     2
                                  
assign ( resid 112  and name C   )
       ( resid 113  and name N   )
       ( resid 113  and name CA  )
       ( resid 113  and name C   )   1.0 -113.14   22.09     2
assign ( resid 113  and name N   )
       ( resid 113  and name CA  )
       ( resid 113  and name C   )
       ( resid 114  and name N   )   1.0  141.85   17.86     2
                                  
assign ( resid 113  and name C   )
       ( resid 114  and name N   )
       ( resid 114  and name CA  )
       ( resid 114  and name C   )   1.0 -123.86   19.44     2
assign ( resid 114  and name N   )
       ( resid 114  and name CA  )
       ( resid 114  and name C   )
       ( resid 115  and name N   )   1.0  142.79   14.09     2
                                  
assign ( resid 114  and name C   )
       ( resid 115  and name N   )
       ( resid 115  and name CA  )
       ( resid 115  and name C   )   1.0 -119.71   10.95     2
assign ( resid 115  and name N   )
       ( resid 115  and name CA  )
       ( resid 115  and name C   )
       ( resid 116  and name N   )   1.0  130.73   20.63     2
                                  
assign ( resid 115  and name C   )
       ( resid 116  and name N   )
       ( resid 116  and name CA  )
       ( resid 116  and name C   )   1.0 -116.88   14.35     2
assign ( resid 116  and name N   )
       ( resid 116  and name CA  )
       ( resid 116  and name C   )
       ( resid 117  and name N   )   1.0  118.97   14.47     2
                                  
assign ( resid 116  and name C   )
       ( resid 117  and name N   )
       ( resid 117  and name CA  )
       ( resid 117  and name C   )   1.0   59.21   11.33     2
assign ( resid 117  and name N   )
       ( resid 117  and name CA  )
       ( resid 117  and name C   )
       ( resid 118  and name N   )   1.0   34.79    9.91     2
                                  
assign ( resid 117  and name C   )
       ( resid 118  and name N   )
       ( resid 118  and name CA  )
       ( resid 118  and name C   )   1.0   79.23   16.73     2
assign ( resid 118  and name N   )
       ( resid 118  and name CA  )
       ( resid 118  and name C   )
       ( resid 119  and name N   )   1.0    6.66    9.67     2
                                  
assign ( resid 118  and name C   )
       ( resid 119  and name N   )
       ( resid 119  and name CA  )
       ( resid 119  and name C   )   1.0 -123.15   11.33     2
assign ( resid 119  and name N   )
       ( resid 119  and name CA  )
       ( resid 119  and name C   )
       ( resid 120  and name N   )   1.0  149.16   14.02     2
                                  
assign ( resid 119  and name C   )
       ( resid 120  and name N   )
       ( resid 120  and name CA  )
       ( resid 120  and name C   )   1.0  -98.39   18.96     2
assign ( resid 120  and name N   )
       ( resid 120  and name CA  )
       ( resid 120  and name C   )
       ( resid 121  and name N   )   1.0  122.74   13.21     2
                                  
assign ( resid 120  and name C   )
       ( resid 121  and name N   )
       ( resid 121  and name CA  )
       ( resid 121  and name C   )   1.0 -113.21   18.51     2
assign ( resid 121  and name N   )
       ( resid 121  and name CA  )
       ( resid 121  and name C   )
       ( resid 122  and name N   )   1.0  134.02   18.88     2
                                  
assign ( resid 121  and name C   )
       ( resid 122  and name N   )
       ( resid 122  and name CA  )
       ( resid 122  and name C   )   1.0  -68.64   16.71     2
assign ( resid 122  and name N   )
       ( resid 122  and name CA  )
       ( resid 122  and name C   )
       ( resid 123  and name N   )   1.0  137.32   14.80     2
                                  
assign ( resid 122  and name C   )
       ( resid 123  and name N   )
       ( resid 123  and name CA  )
       ( resid 123  and name C   )   1.0  -68.20   10.28     2
assign ( resid 123  and name N   )
       ( resid 123  and name CA  )
       ( resid 123  and name C   )
       ( resid 124  and name N   )   1.0  -40.24    3.76     2
                                  
assign ( resid 123  and name C   )
       ( resid 124  and name N   )
       ( resid 124  and name CA  )
       ( resid 124  and name C   )   1.0  -90.41   21.12     2
assign ( resid 124  and name N   )
       ( resid 124  and name CA  )
       ( resid 124  and name C   )
       ( resid 125  and name N   )   1.0   -0.21   25.98     2                                

assign ( resid 125  and name N   )
       ( resid 125  and name CA  )
       ( resid 125  and name C   )
       ( resid 126  and name N   )   1.0    9.88   27.58     2                   

assign ( resid 125  and name C   )
       ( resid 126  and name N   )
       ( resid 126  and name CA  )
       ( resid 126  and name C   )   1.0  -90.22   17.82     2

--------------------------------
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1           HT1      GLY   1 127.459  -5.861 -15.343
    2   2H    GLY   1           HT2      GLY   1 127.050  -4.451 -14.503
    3   3H    GLY   1           HT3      GLY   1 126.118  -5.849 -14.311
    4   1HA   GLY   1          HA1       GLY   1 127.731  -6.938 -13.066
    5   2HA   GLY   1          HA2       GLY   1 128.984  -5.839 -13.617
    6    H    TYR   2           HN       TYR   2 125.783  -5.417 -12.120
    7    HA   TYR   2           HA       TYR   2 127.003  -3.500 -10.268
    8   1HB   TYR   2          HB2       TYR   2 124.126  -3.902 -11.077
    9   2HB   TYR   2          HB1       TYR   2 124.622  -2.829  -9.784
   10    HD1  TYR   2           HD1      TYR   2 123.295  -1.200 -11.194
   11    HD2  TYR   2           HD2      TYR   2 126.983  -2.855 -12.490
   12    HE1  TYR   2           HE1      TYR   2 123.545   0.643 -12.802
   13    HE2  TYR   2           HE2      TYR   2 127.249  -1.022 -14.103
   14    HH   TYR   2           HH       TYR   2 126.455   1.290 -14.411
   15    H    ILE   3           HN       ILE   3 126.214  -3.441  -8.028
   16    HA   ILE   3           HA       ILE   3 126.036  -6.139  -6.897
   17    HB   ILE   3           HB       ILE   3 126.107  -4.827  -4.687
   18   1HG1  ILE   3          HG12      ILE   3 127.027  -2.668  -6.574
   19   2HG1  ILE   3          HG11      ILE   3 125.585  -2.660  -5.575
   20   1HG2  ILE   3          HG21      ILE   3 128.214  -5.569  -6.466
   21   2HG2  ILE   3          HG22      ILE   3 128.113  -5.696  -4.728
   22   3HG2  ILE   3          HG23      ILE   3 128.695  -4.214  -5.455
   23   1HD1  ILE   3          HD11      ILE   3 128.429  -2.438  -4.738
   24   2HD1  ILE   3          HD12      ILE   3 127.175  -2.919  -3.608
   25   3HD1  ILE   3          HD13      ILE   3 127.086  -1.346  -4.398
   26    HA   PRO   4           HA       PRO   4 121.753  -5.484  -5.836
   27   1HB   PRO   4          HB2       PRO   4 121.592  -7.540  -3.950
   28   2HB   PRO   4          HB1       PRO   4 121.427  -7.752  -5.693
   29   1HG   PRO   4          HG2       PRO   4 123.532  -8.697  -4.015
   30   2HG   PRO   4          HG1       PRO   4 123.402  -8.841  -5.774
   31   1HD   PRO   4          HD2       PRO   4 124.971  -6.926  -4.154
   32   2HD   PRO   4          HD1       PRO   4 125.227  -7.476  -5.821
   33    H    GLU   5           HN       GLU   5 120.404  -4.743  -4.256
   34    HA   GLU   5           HA       GLU   5 121.427  -2.893  -2.501
   35   1HB   GLU   5          HB2       GLU   5 119.274  -2.577  -3.396
   36   2HB   GLU   5          HB1       GLU   5 118.706  -4.117  -2.774
   37   1HG   GLU   5          HG2       GLU   5 117.788  -2.899  -1.176
   38   2HG   GLU   5          HG1       GLU   5 119.395  -2.833  -0.480
   39    H    ALA   6           HN       ALA   6 121.675  -2.652  -0.390
   40    HA   ALA   6           HA       ALA   6 122.072  -5.047   1.208
   41   1HB   ALA   6          HB1       ALA   6 123.505  -2.748   1.022
   42   2HB   ALA   6          HB2       ALA   6 123.563  -3.837   2.410
   43   3HB   ALA   6          HB3       ALA   6 122.525  -2.413   2.449
   44    HA   PRO   7           HA       PRO   7 118.486  -5.000   3.786
   45   1HB   PRO   7          HB2       PRO   7 120.239  -4.643   6.154
   46   2HB   PRO   7          HB1       PRO   7 119.052  -5.904   5.811
   47   1HG   PRO   7          HG2       PRO   7 121.685  -6.371   5.644
   48   2HG   PRO   7          HG1       PRO   7 120.529  -7.135   4.538
   49   1HD   PRO   7          HD2       PRO   7 122.424  -4.897   4.046
   50   2HD   PRO   7          HD1       PRO   7 121.850  -6.156   2.941
   51    H    ARG   8           HN       ARG   8 117.098  -3.627   4.926
   52    HA   ARG   8           HA       ARG   8 118.054  -0.867   5.294
   53   1HB   ARG   8          HB2       ARG   8 115.618  -2.013   4.199
   54   2HB   ARG   8          HB1       ARG   8 115.344  -0.666   5.270
   55   1HG   ARG   8          HG2       ARG   8 115.611   0.585   3.448
   56   2HG   ARG   8          HG1       ARG   8 117.327   0.307   3.706
   57   1HD   ARG   8          HD2       ARG   8 115.522  -0.770   1.646
   58   2HD   ARG   8          HD1       ARG   8 117.220  -0.322   1.552
   59    HE   ARG   8           HE       ARG   8 117.791  -2.454   2.458
   60   1HH1  ARG   8          HH11      ARG   8 114.397  -2.123   1.672
   61   2HH1  ARG   8          HH12      ARG   8 114.140  -3.829   1.544
   62   1HH2  ARG   8          HH21      ARG   8 117.442  -4.690   2.276
   63   2HH2  ARG   8          HH22      ARG   8 115.863  -5.284   1.890
   64    H    ASP   9           HN       ASP   9 118.714  -2.195   7.375
   65    HA   ASP   9           HA       ASP   9 116.538  -1.942   9.341
   66   1HB   ASP   9          HB2       ASP   9 118.003  -3.271  10.846
   67   2HB   ASP   9          HB1       ASP   9 117.565  -4.141   9.379
   68    H    GLY  10           HN       GLY  10 118.490   0.135   8.118
   69   1HA   GLY  10          HA2       GLY  10 119.212   2.164   8.951
   70   2HA   GLY  10          HA1       GLY  10 118.839   1.620  10.570
   71    H    GLN  11           HN       GLN  11 120.805  -0.550   8.792
   72    HA   GLN  11           HA       GLN  11 123.117   0.422  10.307
   73   1HB   GLN  11          HB2       GLN  11 122.150  -2.236   9.715
   74   2HB   GLN  11          HB1       GLN  11 123.838  -2.051   9.388
   75   1HG   GLN  11          HG2       GLN  11 124.359  -1.709  11.597
   76   2HG   GLN  11          HG1       GLN  11 122.748  -1.107  11.988
   77   1HE2  GLN  11          HE21      GLN  11 122.111  -2.435  13.563
   78   2HE2  GLN  11          HE22      GLN  11 122.011  -4.154  13.435
   79    H    ALA  12           HN       ALA  12 125.203   0.248   9.314
   80    HA   ALA  12           HA       ALA  12 125.070   0.907   6.479
   81   1HB   ALA  12          HB1       ALA  12 126.644   2.454   6.847
   82   2HB   ALA  12          HB2       ALA  12 127.624   1.352   7.819
   83   3HB   ALA  12          HB3       ALA  12 126.275   2.208   8.552
   84    H    TYR  13           HN       TYR  13 126.042  -0.107   4.942
   85    HA   TYR  13           HA       TYR  13 127.589  -2.485   5.656
   86   1HB   TYR  13          HB2       TYR  13 125.639  -2.065   3.447
   87   2HB   TYR  13          HB1       TYR  13 126.739  -3.378   3.496
   88    HD1  TYR  13           HD1      TYR  13 123.617  -2.251   4.603
   89    HD2  TYR  13           HD2      TYR  13 126.791  -4.837   5.524
   90    HE1  TYR  13           HE1      TYR  13 122.129  -3.503   6.117
   91    HE2  TYR  13           HE2      TYR  13 125.377  -6.091   7.051
   92    HH   TYR  13           HH       TYR  13 122.225  -4.993   7.971
   93    H    VAL  14           HN       VAL  14 129.191  -3.087   4.406
   94    HA   VAL  14           HA       VAL  14 130.450  -1.091   2.641
   95    HB   VAL  14           HB       VAL  14 131.918  -3.355   3.890
   96   1HG1  VAL  14          HG11      VAL  14 132.977  -1.461   2.521
   97   2HG1  VAL  14          HG12      VAL  14 133.762  -1.932   4.021
   98   3HG1  VAL  14          HG13      VAL  14 132.754  -0.481   3.968
   99   1HG2  VAL  14          HG21      VAL  14 130.238  -2.414   5.568
  100   2HG2  VAL  14          HG22      VAL  14 131.261  -0.991   5.595
  101   3HG2  VAL  14          HG23      VAL  14 131.911  -2.556   6.079
  102    H    ARG  15           HN       ARG  15 131.525  -2.137   0.692
  103    HA   ARG  15           HA       ARG  15 130.022  -4.584   0.097
  104   1HB   ARG  15          HB2       ARG  15 130.186  -2.232  -1.328
  105   2HB   ARG  15          HB1       ARG  15 131.332  -3.218  -2.148
  106   1HG   ARG  15          HG2       ARG  15 128.465  -3.270  -2.258
  107   2HG   ARG  15          HG1       ARG  15 129.623  -3.962  -3.374
  108   1HD   ARG  15          HD2       ARG  15 129.729  -5.687  -1.260
  109   2HD   ARG  15          HD1       ARG  15 128.052  -5.169  -1.238
  110    HE   ARG  15           HE       ARG  15 129.350  -6.409  -3.578
  111   1HH1  ARG  15          HH11      ARG  15 126.591  -5.984  -1.471
  112   2HH1  ARG  15          HH12      ARG  15 125.611  -7.131  -2.312
  113   1HH2  ARG  15          HH21      ARG  15 128.018  -7.939  -4.680
  114   2HH2  ARG  15          HH22      ARG  15 126.418  -8.235  -4.112
  115    H    LYS  16           HN       LYS  16 131.060  -6.289   0.479
  116    HA   LYS  16           HA       LYS  16 133.734  -6.695  -0.605
  117   1HB   LYS  16          HB2       LYS  16 134.659  -6.707   1.420
  118   2HB   LYS  16          HB1       LYS  16 133.103  -6.528   2.192
  119   1HG   LYS  16          HG2       LYS  16 132.938  -9.107   1.746
  120   2HG   LYS  16          HG1       LYS  16 134.693  -8.983   1.629
  121   1HD   LYS  16          HD2       LYS  16 133.618  -7.517   3.897
  122   2HD   LYS  16          HD1       LYS  16 133.234  -9.240   3.956
  123   1HE   LYS  16          HE2       LYS  16 135.443  -9.850   4.095
  124   2HE   LYS  16          HE1       LYS  16 136.021  -8.376   3.335
  125   1HZ   LYS  16          HZ1       LYS  16 135.881  -8.956   6.041
  126   2HZ   LYS  16          HZ2       LYS  16 134.702  -7.780   5.761
  127   3HZ   LYS  16          HZ3       LYS  16 136.311  -7.482   5.330
  128    H    ASP  17           HN       ASP  17 134.066  -8.755  -1.406
  129    HA   ASP  17           HA       ASP  17 133.407 -10.682  -2.404
  130   1HB   ASP  17          HB2       ASP  17 132.403 -12.279  -0.554
  131   2HB   ASP  17          HB1       ASP  17 134.095 -11.870  -0.589
  132    H    GLY  18           HN       GLY  18 131.519  -8.846  -3.049
  133   1HA   GLY  18          HA2       GLY  18 129.428  -8.712  -3.931
  134   2HA   GLY  18          HA1       GLY  18 129.388 -10.459  -3.838
  135    H    GLU  19           HN       GLU  19 129.772  -8.827  -0.771
  136    HA   GLU  19           HA       GLU  19 126.889  -9.040  -0.354
  137   1HB   GLU  19          HB2       GLU  19 129.110 -10.210   1.290
  138   2HB   GLU  19          HB1       GLU  19 127.518  -9.929   1.946
  139   1HG   GLU  19          HG2       GLU  19 126.548 -11.415   0.274
  140   2HG   GLU  19          HG1       GLU  19 128.152 -11.691  -0.403
  141    H    TRP  20           HN       TRP  20 126.155  -7.953   1.575
  142    HA   TRP  20           HA       TRP  20 127.614  -5.468   1.930
  143   1HB   TRP  20          HB2       TRP  20 124.750  -6.223   2.592
  144   2HB   TRP  20          HB1       TRP  20 125.487  -4.709   3.061
  145    HD1  TRP  20           HD1      TRP  20 123.505  -6.015   0.283
  146    HE1  TRP  20           HE1      TRP  20 123.797  -4.521  -1.817
  147    HE3  TRP  20           HE3      TRP  20 127.583  -3.334   1.746
  148    HZ2  TRP  20           HZ2      TRP  20 125.515  -2.494  -2.697
  149    HZ3  TRP  20           HZ3      TRP  20 128.476  -1.643   0.244
  150    HH2  TRP  20           HH2      TRP  20 127.492  -1.256  -1.943
  151    H    VAL  21           HN       VAL  21 128.969  -5.353   3.533
  152    HA   VAL  21           HA       VAL  21 128.525  -6.988   5.941
  153    HB   VAL  21           HB       VAL  21 130.854  -7.055   6.274
  154   1HG1  VAL  21          HG11      VAL  21 130.430  -7.020   3.300
  155   2HG1  VAL  21          HG12      VAL  21 130.097  -8.380   4.377
  156   3HG1  VAL  21          HG13      VAL  21 131.747  -7.794   4.174
  157   1HG2  VAL  21          HG21      VAL  21 131.173  -4.896   4.196
  158   2HG2  VAL  21          HG22      VAL  21 132.461  -5.636   5.136
  159   3HG2  VAL  21          HG23      VAL  21 131.255  -4.620   5.932
  160    H    LEU  22           HN       LEU  22 128.259  -6.165   7.804
  161    HA   LEU  22           HA       LEU  22 127.500  -3.561   8.171
  162   1HB   LEU  22          HB2       LEU  22 128.129  -5.885   9.800
  163   2HB   LEU  22          HB1       LEU  22 128.422  -4.372  10.647
  164    HG   LEU  22           HG       LEU  22 125.835  -5.454   9.572
  165   1HD1  LEU  22          HD11      LEU  22 126.908  -4.647  12.236
  166   2HD1  LEU  22          HD12      LEU  22 126.044  -6.111  11.767
  167   3HD1  LEU  22          HD13      LEU  22 125.173  -4.585  11.927
  168   1HD2  LEU  22          HD21      LEU  22 126.581  -2.607  10.085
  169   2HD2  LEU  22          HD22      LEU  22 124.938  -3.177  10.375
  170   3HD2  LEU  22          HD23      LEU  22 125.643  -3.301   8.755
  171    H    LEU  23           HN       LEU  23 128.567  -1.727   8.198
  172    HA   LEU  23           HA       LEU  23 131.356  -1.518   7.916
  173   1HB   LEU  23          HB2       LEU  23 129.729   0.202   7.250
  174   2HB   LEU  23          HB1       LEU  23 129.299   0.469   8.916
  175    HG   LEU  23           HG       LEU  23 131.187   1.702   9.373
  176   1HD1  LEU  23          HD11      LEU  23 133.266   1.629   8.263
  177   2HD1  LEU  23          HD12      LEU  23 132.607   0.668   6.936
  178   3HD1  LEU  23          HD13      LEU  23 132.778  -0.045   8.541
  179   1HD2  LEU  23          HD21      LEU  23 130.841   2.194   6.427
  180   2HD2  LEU  23          HD22      LEU  23 131.427   3.332   7.639
  181   3HD2  LEU  23          HD23      LEU  23 129.751   2.786   7.679
  182    H    SER  24           HN       SER  24 129.222  -1.079  10.730
  183    HA   SER  24           HA       SER  24 131.042  -0.277  12.617
  184   1HB   SER  24          HB2       SER  24 129.534  -1.271  14.288
  185   2HB   SER  24          HB1       SER  24 128.628  -0.425  13.034
  186    HG   SER  24           HG       SER  24 127.601  -2.316  13.159
  187    H    THR  25           HN       THR  25 130.719  -3.420  11.131
  188    HA   THR  25           HA       THR  25 132.107  -4.876  13.126
  189    HB   THR  25           HB       THR  25 131.677  -5.417  10.193
  190    HG1  THR  25           HG1      THR  25 129.815  -5.750  11.206
  191   1HG2  THR  25          HG21      THR  25 133.522  -6.750  11.932
  192   2HG2  THR  25          HG22      THR  25 133.168  -7.041  10.229
  193   3HG2  THR  25          HG23      THR  25 132.206  -7.832  11.478
  194    H    PHE  26           HN       PHE  26 133.053  -2.627  10.744
  195    HA   PHE  26           HA       PHE  26 135.863  -3.414  10.837
  196   1HB   PHE  26          HB2       PHE  26 134.461  -1.342   9.133
  197   2HB   PHE  26          HB1       PHE  26 136.166  -1.698   9.062
  198    HD1  PHE  26           HD1      PHE  26 132.904  -3.550   8.782
  199    HD2  PHE  26           HD2      PHE  26 136.950  -3.168   7.502
  200    HE1  PHE  26           HE1      PHE  26 132.558  -5.378   7.138
  201    HE2  PHE  26           HE2      PHE  26 136.613  -4.974   5.874
  202    HZ   PHE  26           HZ       PHE  26 134.427  -6.091   5.686
  203    H    LEU  27           HN       LEU  27 133.877  -1.689  12.731
  204    HA   LEU  27           HA       LEU  27 135.942   0.328  13.276
  205   1HB   LEU  27          HB2       LEU  27 133.165   0.595  12.844
  206   2HB   LEU  27          HB1       LEU  27 133.457   0.963  14.534
  207    HG   LEU  27           HG       LEU  27 134.984   2.713  13.970
  208   1HD1  LEU  27          HD11      LEU  27 135.421   1.306  11.606
  209   2HD1  LEU  27          HD12      LEU  27 136.132   2.850  12.078
  210   3HD1  LEU  27          HD13      LEU  27 134.650   2.819  11.105
  211   1HD2  LEU  27          HD21      LEU  27 133.018   3.412  11.957
  212   2HD2  LEU  27          HD22      LEU  27 133.383   4.171  13.515
  213   3HD2  LEU  27          HD23      LEU  27 132.307   2.773  13.443
  214   1H    GLY   1           HT1      GLY  51 116.411  -7.884  -5.241
  215   2H    GLY   1           HT2      GLY  51 117.725  -7.705  -4.192
  216   3H    GLY   1           HT3      GLY  51 117.986  -7.849  -5.857
  217   1HA   GLY   1          HA1       GLY  51 116.607  -5.744  -6.097
  218   2HA   GLY   1          HA2       GLY  51 116.848  -5.563  -4.366
  219    H    TYR   2           HN       TYR  52 117.757  -3.775  -6.428
  220    HA   TYR   2           HA       TYR  52 120.654  -3.918  -5.927
  221   1HB   TYR   2          HB2       TYR  52 119.230  -3.594  -8.492
  222   2HB   TYR   2          HB1       TYR  52 120.693  -2.662  -8.255
  223    HD1  TYR   2           HD1      TYR  52 122.423  -3.595  -9.439
  224    HD2  TYR   2           HD2      TYR  52 119.737  -6.178  -7.390
  225    HE1  TYR   2           HE1      TYR  52 123.765  -5.534 -10.125
  226    HE2  TYR   2           HE2      TYR  52 121.082  -8.121  -8.059
  227    HH   TYR   2           HH       TYR  52 122.685  -8.758  -9.746
  228    H    ILE   3           HN       ILE  53 121.670  -2.038  -5.453
  229    HA   ILE   3           HA       ILE  53 119.978   0.195  -4.685
  230    HB   ILE   3           HB       ILE  53 122.088   1.178  -3.790
  231   1HG1  ILE   3          HG12      ILE  53 123.189  -1.496  -4.632
  232   2HG1  ILE   3          HG11      ILE  53 123.740   0.105  -5.106
  233   1HG2  ILE   3          HG21      ILE  53 122.292  -0.841  -2.057
  234   2HG2  ILE   3          HG22      ILE  53 120.768  -1.242  -2.835
  235   3HG2  ILE   3          HG23      ILE  53 120.971   0.327  -2.071
  236   1HD1  ILE   3          HD11      ILE  53 125.293  -0.724  -3.541
  237   2HD1  ILE   3          HD12      ILE  53 124.005  -1.213  -2.433
  238   3HD1  ILE   3          HD13      ILE  53 124.331   0.497  -2.707
  239    HA   PRO   4           HA       PRO  54 121.435   2.863  -7.912
  240   1HB   PRO   4          HB2       PRO  54 120.639   5.226  -6.930
  241   2HB   PRO   4          HB1       PRO  54 119.437   3.995  -7.341
  242   1HG   PRO   4          HG2       PRO  54 120.431   4.850  -4.672
  243   2HG   PRO   4          HG1       PRO  54 118.836   4.235  -5.133
  244   1HD   PRO   4          HD2       PRO  54 120.969   2.763  -3.940
  245   2HD   PRO   4          HD1       PRO  54 119.437   2.121  -4.574
  246    H    GLU   5           HN       GLU  55 123.051   4.212  -8.475
  247    HA   GLU   5           HA       GLU  55 125.411   3.962  -7.077
  248   1HB   GLU   5          HB2       GLU  55 125.575   4.324  -9.387
  249   2HB   GLU   5          HB1       GLU  55 124.557   5.752  -9.331
  250   1HG   GLU   5          HG2       GLU  55 126.368   6.994  -9.310
  251   2HG   GLU   5          HG1       GLU  55 126.802   6.335  -7.746
  252    H    ALA   6           HN       ALA  56 126.763   5.357  -5.999
  253    HA   ALA   6           HA       ALA  56 125.413   7.340  -4.354
  254   1HB   ALA   6          HB1       ALA  56 128.279   6.779  -3.932
  255   2HB   ALA   6          HB2       ALA  56 127.166   5.435  -3.673
  256   3HB   ALA   6          HB3       ALA  56 126.967   6.934  -2.765
  257    HA   PRO   7           HA       PRO  57 126.788  11.108  -6.149
  258   1HB   PRO   7          HB2       PRO  57 128.084  12.052  -3.761
  259   2HB   PRO   7          HB1       PRO  57 126.548  12.555  -4.445
  260   1HG   PRO   7          HG2       PRO  57 127.055  10.816  -2.198
  261   2HG   PRO   7          HG1       PRO  57 125.532  11.522  -2.729
  262   1HD   PRO   7          HD2       PRO  57 126.205   8.843  -2.887
  263   2HD   PRO   7          HD1       PRO  57 124.927   9.635  -3.823
  264    H    ARG   8           HN       ARG  58 128.609  12.157  -6.944
  265    HA   ARG   8           HA       ARG  58 131.181  10.772  -6.526
  266   1HB   ARG   8          HB2       ARG  58 129.870  11.990  -8.888
  267   2HB   ARG   8          HB1       ARG  58 131.619  12.046  -8.806
  268   1HG   ARG   8          HG2       ARG  58 131.248  10.110  -9.985
  269   2HG   ARG   8          HG1       ARG  58 131.453   9.515  -8.344
  270   1HD   ARG   8          HD2       ARG  58 129.105   9.272  -8.056
  271   2HD   ARG   8          HD1       ARG  58 128.775  10.097  -9.580
  272    HE   ARG   8           HE       ARG  58 129.362   7.345  -9.233
  273   1HH1  ARG   8          HH11      ARG  58 129.884  10.020 -11.414
  274   2HH1  ARG   8          HH12      ARG  58 130.093   9.008 -12.803
  275   1HH2  ARG   8          HH21      ARG  58 129.639   6.013 -11.061
  276   2HH2  ARG   8          HH22      ARG  58 129.954   6.734 -12.604
  277    H    ASP   9           HN       ASP  59 131.139  12.294  -4.612
  278    HA   ASP   9           HA       ASP  59 132.213  14.936  -5.367
  279   1HB   ASP   9          HB2       ASP  59 131.676  15.624  -3.055
  280   2HB   ASP   9          HB1       ASP  59 130.246  15.098  -3.938
  281    H    GLY  10           HN       GLY  60 133.442  12.061  -4.870
  282   1HA   GLY  10          HA2       GLY  60 135.620  11.450  -4.343
  283   2HA   GLY  10          HA1       GLY  60 135.911  13.088  -3.779
  284    H    GLN  11           HN       GLN  61 133.115  11.846  -2.392
  285    HA   GLN  11           HA       GLN  61 134.586  11.279   0.069
  286   1HB   GLN  11          HB2       GLN  61 131.997  12.415  -0.531
  287   2HB   GLN  11          HB1       GLN  61 131.944  11.292   0.744
  288   1HG   GLN  11          HG2       GLN  61 133.515  13.846   0.592
  289   2HG   GLN  11          HG1       GLN  61 132.183  13.476   1.652
  290   1HE2  GLN  11          HE21      GLN  61 135.596  12.939   1.141
  291   2HE2  GLN  11          HE22      GLN  61 135.917  12.298   2.701
  292    H    ALA  12           HN       ALA  62 134.028   9.459   1.286
  293    HA   ALA  12           HA       ALA  62 133.167   7.200  -0.334
  294   1HB   ALA  12          HB1       ALA  62 135.256   7.475   1.410
  295   2HB   ALA  12          HB2       ALA  62 134.603   5.945   0.824
  296   3HB   ALA  12          HB3       ALA  62 134.065   6.599   2.371
  297    H    TYR  13           HN       TYR  63 131.459   6.064  -0.049
  298    HA   TYR  13           HA       TYR  63 129.688   6.819   2.168
  299   1HB   TYR  13          HB2       TYR  63 129.045   6.056  -0.637
  300   2HB   TYR  13          HB1       TYR  63 127.877   5.994   0.636
  301    HD1  TYR  13           HD1      TYR  63 129.445   8.080  -1.723
  302    HD2  TYR  13           HD2      TYR  63 127.527   8.076   2.010
  303    HE1  TYR  13           HE1      TYR  63 129.101  10.520  -1.930
  304    HE2  TYR  13           HE2      TYR  63 127.174  10.477   1.868
  305    HH   TYR  13           HH       TYR  63 128.739  12.448  -0.355
  306    H    VAL  14           HN       VAL  64 128.426   5.283   3.029
  307    HA   VAL  14           HA       VAL  64 129.165   2.522   2.457
  308    HB   VAL  14           HB       VAL  64 129.926   2.796   4.577
  309   1HG1  VAL  14          HG11      VAL  64 127.584   4.503   5.290
  310   2HG1  VAL  14          HG12      VAL  64 129.244   5.039   5.025
  311   3HG1  VAL  14          HG13      VAL  64 128.861   4.009   6.396
  312   1HG2  VAL  14          HG21      VAL  64 128.391   1.703   6.114
  313   2HG2  VAL  14          HG22      VAL  64 128.506   0.913   4.553
  314   3HG2  VAL  14          HG23      VAL  64 127.103   1.909   4.928
  315    H    ARG  15           HN       ARG  65 127.381   1.021   2.788
  316    HA   ARG  15           HA       ARG  65 124.960   2.373   1.816
  317   1HB   ARG  15          HB2       ARG  65 126.392   0.233   0.821
  318   2HB   ARG  15          HB1       ARG  65 125.079  -0.543   1.610
  319   1HG   ARG  15          HG2       ARG  65 125.086   1.185  -0.777
  320   2HG   ARG  15          HG1       ARG  65 124.264  -0.334  -0.525
  321   1HD   ARG  15          HD2       ARG  65 123.320   1.880   1.142
  322   2HD   ARG  15          HD1       ARG  65 123.117   2.084  -0.598
  323    HE   ARG  15           HE       ARG  65 121.765   0.137  -0.629
  324   1HH1  ARG  15          HH11      ARG  65 122.505   1.241   2.557
  325   2HH1  ARG  15          HH12      ARG  65 121.406   0.165   3.335
  326   1HH2  ARG  15          HH21      ARG  65 120.312  -1.301   0.377
  327   2HH2  ARG  15          HH22      ARG  65 120.149  -1.263   2.098
  328    H    LYS  16           HN       LYS  66 123.648   2.834   3.283
  329    HA   LYS  16           HA       LYS  66 122.806   0.860   5.258
  330   1HB   LYS  16          HB2       LYS  66 124.176   2.141   6.601
  331   2HB   LYS  16          HB1       LYS  66 123.819   3.600   5.724
  332   1HG   LYS  16          HG2       LYS  66 122.018   4.088   6.983
  333   2HG   LYS  16          HG1       LYS  66 121.560   2.392   7.176
  334   1HD   LYS  16          HD2       LYS  66 122.828   2.138   9.046
  335   2HD   LYS  16          HD1       LYS  66 124.112   3.180   8.450
  336   1HE   LYS  16          HE2       LYS  66 121.589   4.511   9.085
  337   2HE   LYS  16          HE1       LYS  66 122.426   3.823  10.462
  338   1HZ   LYS  16          HZ1       LYS  66 123.630   5.696   8.495
  339   2HZ   LYS  16          HZ2       LYS  66 124.371   5.097   9.892
  340   3HZ   LYS  16          HZ3       LYS  66 123.047   6.140  10.020
  341    H    ASP  17           HN       ASP  67 120.619   0.713   5.442
  342    HA   ASP  17           HA       ASP  67 118.435   1.039   4.904
  343   1HB   ASP  17          HB2       ASP  67 117.857   3.612   5.418
  344   2HB   ASP  17          HB1       ASP  67 118.098   2.415   6.664
  345    H    GLY  18           HN       GLY  68 119.768   0.959   2.580
  346   1HA   GLY  18          HA2       GLY  68 119.533   1.418   0.362
  347   2HA   GLY  18          HA1       GLY  68 118.022   2.195   0.788
  348    H    GLU  19           HN       GLU  69 120.853   3.570   2.292
  349    HA   GLU  19           HA       GLU  69 120.963   5.577   0.164
  350   1HB   GLU  19          HB2       GLU  69 120.833   6.164   3.123
  351   2HB   GLU  19          HB1       GLU  69 120.991   7.352   1.839
  352   1HG   GLU  19          HG2       GLU  69 118.764   6.255   0.988
  353   2HG   GLU  19          HG1       GLU  69 118.622   5.768   2.676
  354    H    TRP  20           HN       TRP  70 122.846   6.958   0.265
  355    HA   TRP  20           HA       TRP  70 125.168   5.424   1.086
  356   1HB   TRP  20          HB2       TRP  70 124.930   7.811  -0.763
  357   2HB   TRP  20          HB1       TRP  70 126.438   7.022  -0.330
  358    HD1  TRP  20           HD1      TRP  70 123.864   6.812  -2.948
  359    HE1  TRP  20           HE1      TRP  70 124.020   4.528  -4.168
  360    HE3  TRP  20           HE3      TRP  70 126.916   4.358   0.315
  361    HZ2  TRP  20           HZ2      TRP  70 125.285   2.068  -3.768
  362    HZ3  TRP  20           HZ3      TRP  70 127.557   2.059  -0.176
  363    HH2  TRP  20           HH2      TRP  70 126.719   0.925  -2.165
  364    H    VAL  21           HN       VAL  71 126.083   5.805   2.902
  365    HA   VAL  21           HA       VAL  71 125.914   8.516   4.062
  366    HB   VAL  21           HB       VAL  71 126.503   6.084   5.708
  367   1HG1  VAL  21          HG11      VAL  71 126.133   7.457   7.544
  368   2HG1  VAL  21          HG12      VAL  71 125.230   8.639   6.597
  369   3HG1  VAL  21          HG13      VAL  71 126.977   8.500   6.400
  370   1HG2  VAL  21          HG21      VAL  71 124.404   5.360   5.625
  371   2HG2  VAL  21          HG22      VAL  71 123.929   6.706   4.590
  372   3HG2  VAL  21          HG23      VAL  71 123.894   6.885   6.345
  373    H    LEU  22           HN       LEU  72 127.636   9.479   4.649
  374    HA   LEU  22           HA       LEU  72 130.078   8.870   3.547
  375   1HB   LEU  22          HB2       LEU  72 128.948  10.825   5.301
  376   2HB   LEU  22          HB1       LEU  72 130.618  10.467   5.732
  377    HG   LEU  22           HG       LEU  72 129.537  11.562   3.156
  378   1HD1  LEU  22          HD11      LEU  72 130.170  13.296   4.535
  379   2HD1  LEU  22          HD12      LEU  72 131.605  13.030   3.539
  380   3HD1  LEU  22          HD13      LEU  72 131.541  12.400   5.185
  381   1HD2  LEU  22          HD21      LEU  72 130.896  10.070   2.140
  382   2HD2  LEU  22          HD22      LEU  72 131.923   9.866   3.563
  383   3HD2  LEU  22          HD23      LEU  72 132.097  11.291   2.549
  384    H    LEU  23           HN       LEU  73 131.622   7.529   3.987
  385    HA   LEU  23           HA       LEU  73 131.550   5.597   6.016
  386   1HB   LEU  23          HB2       LEU  73 132.864   5.375   3.991
  387   2HB   LEU  23          HB1       LEU  73 133.866   6.724   4.446
  388    HG   LEU  23           HG       LEU  73 135.073   5.520   6.007
  389   1HD1  LEU  23          HD11      LEU  73 133.032   3.318   6.095
  390   2HD1  LEU  23          HD12      LEU  73 133.048   4.669   7.224
  391   3HD1  LEU  23          HD13      LEU  73 134.422   3.566   7.151
  392   1HD2  LEU  23          HD21      LEU  73 135.183   4.595   3.597
  393   2HD2  LEU  23          HD22      LEU  73 134.381   3.188   4.298
  394   3HD2  LEU  23          HD23      LEU  73 135.936   3.697   4.905
  395    H    SER  24           HN       SER  74 132.986   8.773   5.817
  396    HA   SER  24           HA       SER  74 134.530   8.623   8.149
  397   1HB   SER  24          HB2       SER  74 134.117  11.222   8.089
  398   2HB   SER  24          HB1       SER  74 135.096  10.450   6.841
  399    HG   SER  24           HG       SER  74 132.485  11.462   6.690
  400    H    THR  25           HN       THR  75 131.086   8.852   7.704
  401    HA   THR  25           HA       THR  75 130.550  10.095  10.214
  402    HB   THR  25           HB       THR  75 128.828   8.410   8.402
  403    HG1  THR  25           HG1      THR  75 129.120  11.158   8.917
  404   1HG2  THR  25          HG21      THR  75 127.376   8.104  10.035
  405   2HG2  THR  25          HG22      THR  75 127.146   9.853  10.065
  406   3HG2  THR  25          HG23      THR  75 128.315   9.098  11.147
  407    H    PHE  26           HN       PHE  76 131.508   6.986   9.139
  408    HA   PHE  26           HA       PHE  76 130.867   5.737  11.693
  409   1HB   PHE  26          HB2       PHE  76 131.760   4.523   9.074
  410   2HB   PHE  26          HB1       PHE  76 131.521   3.617  10.542
  411    HD1  PHE  26           HD1      PHE  76 129.788   5.457   7.859
  412    HD2  PHE  26           HD2      PHE  76 129.269   3.217  11.439
  413    HE1  PHE  26           HE1      PHE  76 127.366   5.372   7.452
  414    HE2  PHE  26           HE2      PHE  76 126.848   3.111  11.028
  415    HZ   PHE  26           HZ       PHE  76 125.866   4.199   9.032
  416    H    LEU  27           HN       LEU  77 132.955   7.744  10.917
  417    HA   LEU  27           HA       LEU  77 135.213   6.291  12.084
  418   1HB   LEU  27          HB2       LEU  77 135.073   7.523   9.526
  419   2HB   LEU  27          HB1       LEU  77 136.241   8.396  10.501
  420    HG   LEU  27           HG       LEU  77 137.528   6.430  10.869
  421   1HD1  LEU  27          HD11      LEU  77 136.194   4.615  11.177
  422   2HD1  LEU  27          HD12      LEU  77 136.724   4.318   9.518
  423   3HD1  LEU  27          HD13      LEU  77 135.135   5.021   9.826
  424   1HD2  LEU  27          HD21      LEU  77 137.420   7.675   8.552
  425   2HD2  LEU  27          HD22      LEU  77 136.895   6.079   8.020
  426   3HD2  LEU  27          HD23      LEU  77 138.453   6.272   8.818
  427   1H    GLY   1           HT1      GLY 101 119.567   4.557 -13.069
  428   2H    GLY   1           HT2      GLY 101 120.085   3.214 -12.182
  429   3H    GLY   1           HT3      GLY 101 120.909   3.666 -13.587
  430   1HA   GLY   1          HA1       GLY 101 122.080   5.282 -12.583
  431   2HA   GLY   1          HA2       GLY 101 120.719   5.730 -11.565
  432    H    TYR   2           HN       TYR 102 122.146   2.529 -11.903
  433    HA   TYR   2           HA       TYR 102 122.704   2.533  -9.027
  434   1HB   TYR   2          HB2       TYR 102 122.402   0.263 -10.946
  435   2HB   TYR   2          HB1       TYR 102 122.843   0.061  -9.268
  436    HD1  TYR   2           HD1      TYR 102 120.842  -1.530  -9.494
  437    HD2  TYR   2           HD2      TYR 102 120.464   2.697  -9.627
  438    HE1  TYR   2           HE1      TYR 102 118.465  -1.735  -8.911
  439    HE2  TYR   2           HE2      TYR 102 118.085   2.511  -9.044
  440    HH   TYR   2           HH       TYR 102 116.615  -0.613  -8.275
  441    H    ILE   3           HN       ILE 103 124.627   1.442  -8.239
  442    HA   ILE   3           HA       ILE 103 126.995   2.158  -9.786
  443    HB   ILE   3           HB       ILE 103 128.185   1.163  -7.727
  444   1HG1  ILE   3          HG12      ILE 103 125.396   1.449  -6.626
  445   2HG1  ILE   3          HG11      ILE 103 126.337  -0.023  -6.786
  446   1HG2  ILE   3          HG21      ILE 103 128.533   3.296  -7.428
  447   2HG2  ILE   3          HG22      ILE 103 127.106   3.350  -6.418
  448   3HG2  ILE   3          HG23      ILE 103 126.994   3.721  -8.136
  449   1HD1  ILE   3          HD11      ILE 103 128.012   1.037  -5.248
  450   2HD1  ILE   3          HD12      ILE 103 126.473   0.580  -4.529
  451   3HD1  ILE   3          HD13      ILE 103 126.802   2.267  -4.935
  452    HA   PRO   4           HA       PRO 104 127.822  -2.079 -10.857
  453   1HB   PRO   4          HB2       PRO 104 130.564  -1.722 -11.370
  454   2HB   PRO   4          HB1       PRO 104 129.266  -1.472 -12.538
  455   1HG   PRO   4          HG2       PRO 104 130.963   0.503 -11.416
  456   2HG   PRO   4          HG1       PRO 104 129.553   0.766 -12.451
  457   1HD   PRO   4          HD2       PRO 104 129.803   1.008  -9.506
  458   2HD   PRO   4          HD1       PRO 104 128.679   1.812 -10.619
  459    H    GLU   5           HN       GLU 105 128.628  -3.921 -10.092
  460    HA   GLU   5           HA       GLU 105 129.003  -4.120  -7.379
  461   1HB   GLU   5          HB2       GLU 105 128.125  -5.991  -8.500
  462   2HB   GLU   5          HB1       GLU 105 129.475  -6.068  -9.621
  463   1HG   GLU   5          HG2       GLU 105 130.412  -7.593  -8.332
  464   2HG   GLU   5          HG1       GLU 105 130.567  -6.406  -7.050
  465    H    ALA   6           HN       ALA 106 130.657  -4.569  -6.032
  466    HA   ALA   6           HA       ALA 106 133.295  -3.644  -6.794
  467   1HB   ALA   6          HB1       ALA 106 133.619  -4.354  -4.245
  468   2HB   ALA   6          HB2       ALA 106 131.861  -4.217  -4.263
  469   3HB   ALA   6          HB3       ALA 106 132.858  -2.837  -4.710
  470    HA   PRO   7           HA       PRO 107 135.522  -7.453  -7.228
  471   1HB   PRO   7          HB2       PRO 107 137.230  -6.818  -4.902
  472   2HB   PRO   7          HB1       PRO 107 137.679  -7.075  -6.589
  473   1HG   PRO   7          HG2       PRO 107 137.709  -4.629  -5.454
  474   2HG   PRO   7          HG1       PRO 107 137.297  -4.879  -7.163
  475   1HD   PRO   7          HD2       PRO 107 135.521  -4.305  -4.848
  476   2HD   PRO   7          HD1       PRO 107 135.377  -3.786  -6.536
  477    H    ARG   8           HN       ARG 108 135.682  -9.566  -6.400
  478    HA   ARG   8           HA       ARG 108 134.398  -9.979  -3.795
  479   1HB   ARG   8          HB2       ARG 108 134.247 -11.464  -6.327
  480   2HB   ARG   8          HB1       ARG 108 134.116 -12.372  -4.836
  481   1HG   ARG   8          HG2       ARG 108 131.917 -11.866  -5.444
  482   2HG   ARG   8          HG1       ARG 108 132.317 -10.729  -4.163
  483   1HD   ARG   8          HD2       ARG 108 131.272  -9.400  -5.752
  484   2HD   ARG   8          HD1       ARG 108 132.986  -9.143  -6.058
  485    HE   ARG   8           HE       ARG 108 131.213 -10.852  -7.678
  486   1HH1  ARG   8          HH11      ARG 108 134.079  -8.867  -7.372
  487   2HH1  ARG   8          HH12      ARG 108 134.510  -9.026  -9.037
  488   1HH2  ARG   8          HH21      ARG 108 131.790 -11.049  -9.865
  489   2HH2  ARG   8          HH22      ARG 108 133.215 -10.259 -10.451
  490    H    ASP   9           HN       ASP 109 136.998  -9.432  -3.624
  491    HA   ASP   9           HA       ASP 109 138.369 -12.026  -3.344
  492   1HB   ASP   9          HB2       ASP 109 140.428 -10.615  -3.081
  493   2HB   ASP   9          HB1       ASP 109 139.658 -10.513  -4.657
  494    H    GLY  10           HN       GLY 110 136.353 -10.662  -1.517
  495   1HA   GLY  10          HA2       GLY 110 136.022 -10.875   0.772
  496   2HA   GLY  10          HA1       GLY 110 137.681 -11.419   0.927
  497    H    GLN  11           HN       GLN 111 137.351  -8.448  -0.739
  498    HA   GLN  11           HA       GLN 111 138.236  -7.081   1.683
  499   1HB   GLN  11          HB2       GLN 111 138.498  -6.070  -1.105
  500   2HB   GLN  11          HB1       GLN 111 139.357  -5.503   0.294
  501   1HG   GLN  11          HG2       GLN 111 140.161  -8.039   0.293
  502   2HG   GLN  11          HG1       GLN 111 139.866  -7.858  -1.413
  503   1HE2  GLN  11          HE21      GLN 111 141.006  -5.989  -2.450
  504   2HE2  GLN  11          HE22      GLN 111 142.574  -5.579  -1.867
  505    H    ALA  12           HN       ALA 112 137.184  -5.219   2.396
  506    HA   ALA  12           HA       ALA 112 134.503  -4.891   1.327
  507   1HB   ALA  12          HB1       ALA 112 135.237  -3.201   3.592
  508   2HB   ALA  12          HB2       ALA 112 135.449  -4.927   3.887
  509   3HB   ALA  12          HB3       ALA 112 133.876  -4.304   3.387
  510    H    TYR  13           HN       TYR 113 133.754  -3.179   0.305
  511    HA   TYR  13           HA       TYR 113 135.649  -0.974  -0.177
  512   1HB   TYR  13          HB2       TYR 113 133.703  -2.255  -2.050
  513   2HB   TYR  13          HB1       TYR 113 134.437  -0.744  -2.342
  514    HD1  TYR  13           HD1      TYR 113 134.939  -4.242  -2.401
  515    HD2  TYR  13           HD2      TYR 113 136.893  -0.529  -2.410
  516    HE1  TYR  13           HE1      TYR 113 137.039  -5.383  -3.046
  517    HE2  TYR  13           HE2      TYR 113 138.970  -1.595  -3.092
  518    HH   TYR  13           HH       TYR 113 139.123  -4.963  -3.997
  519    H    VAL  14           HN       VAL 114 134.883   0.981  -0.511
  520    HA   VAL  14           HA       VAL 114 132.264   1.681   0.641
  521    HB   VAL  14           HB       VAL 114 134.501   3.608   0.396
  522   1HG1  VAL  14          HG11      VAL 114 132.201   3.930   1.589
  523   2HG1  VAL  14          HG12      VAL 114 133.652   4.647   2.262
  524   3HG1  VAL  14          HG13      VAL 114 133.014   3.142   2.931
  525   1HG2  VAL  14          HG21      VAL 114 135.363   1.272   1.155
  526   2HG2  VAL  14          HG22      VAL 114 134.642   1.712   2.688
  527   3HG2  VAL  14          HG23      VAL 114 135.909   2.717   1.988
  528    H    ARG  15           HN       ARG 115 131.084   3.188  -0.525
  529    HA   ARG  15           HA       ARG 115 131.957   3.336  -3.284
  530   1HB   ARG  15          HB2       ARG 115 129.528   2.697  -2.189
  531   2HB   ARG  15          HB1       ARG 115 129.264   4.324  -2.651
  532   1HG   ARG  15          HG2       ARG 115 129.268   1.976  -4.259
  533   2HG   ARG  15          HG1       ARG 115 128.723   3.585  -4.683
  534   1HD   ARG  15          HD2       ARG 115 131.429   3.807  -4.888
  535   2HD   ARG  15          HD1       ARG 115 131.164   2.140  -5.352
  536    HE   ARG  15           HE       ARG 115 129.811   4.399  -6.677
  537   1HH1  ARG  15          HH11      ARG 115 131.596   1.393  -6.810
  538   2HH1  ARG  15          HH12      ARG 115 131.531   1.283  -8.534
  539   1HH2  ARG  15          HH21      ARG 115 129.748   4.224  -8.983
  540   2HH2  ARG  15          HH22      ARG 115 130.494   2.873  -9.752
  541    H    LYS  16           HN       LYS 116 132.964   4.989  -3.980
  542    HA   LYS  16           HA       LYS 116 132.222   7.687  -3.211
  543   1HB   LYS  16          HB2       LYS 116 133.810   7.678  -1.610
  544   2HB   LYS  16          HB1       LYS 116 134.648   6.317  -2.297
  545   1HG   LYS  16          HG2       LYS 116 135.478   8.006  -4.078
  546   2HG   LYS  16          HG1       LYS 116 134.933   9.232  -2.929
  547   1HD   LYS  16          HD2       LYS 116 136.348   8.073  -1.198
  548   2HD   LYS  16          HD1       LYS 116 137.021   7.109  -2.512
  549   1HE   LYS  16          HE2       LYS 116 137.202   9.718  -3.422
  550   2HE   LYS  16          HE1       LYS 116 137.612   9.825  -1.710
  551   1HZ   LYS  16          HZ1       LYS 116 139.494   8.631  -1.992
  552   2HZ   LYS  16          HZ2       LYS 116 139.386   9.224  -3.573
  553   3HZ   LYS  16          HZ3       LYS 116 138.848   7.660  -3.218
  554    H    ASP  17           HN       ASP 117 132.263   8.928  -4.985
  555    HA   ASP  17           HA       ASP 117 132.734   9.659  -7.091
  556   1HB   ASP  17          HB2       ASP 117 135.224   9.056  -5.811
  557   2HB   ASP  17          HB1       ASP 117 135.336   8.716  -7.524
  558    H    GLY  18           HN       GLY 118 131.340   7.295  -7.071
  559   1HA   GLY  18          HA2       GLY 118 130.701   5.628  -8.474
  560   2HA   GLY  18          HA1       GLY 118 131.702   6.391  -9.688
  561    H    GLU  19           HN       GLU 119 133.408   5.351  -6.821
  562    HA   GLU  19           HA       GLU 119 134.123   2.873  -8.188
  563   1HB   GLU  19          HB2       GLU 119 135.943   5.009  -7.132
  564   2HB   GLU  19          HB1       GLU 119 136.484   3.369  -7.374
  565   1HG   GLU  19          HG2       GLU 119 135.797   3.563  -9.762
  566   2HG   GLU  19          HG1       GLU 119 135.476   5.270  -9.464
  567    H    TRP  20           HN       TRP 120 135.239   1.354  -6.826
  568    HA   TRP  20           HA       TRP 120 134.132   1.416  -4.136
  569   1HB   TRP  20          HB2       TRP 120 135.214  -0.896  -5.780
  570   2HB   TRP  20          HB1       TRP 120 134.722  -1.023  -4.110
  571    HD1  TRP  20           HD1      TRP 120 133.263  -1.302  -7.490
  572    HE1  TRP  20           HE1      TRP 120 130.677  -1.247  -7.326
  573    HE3  TRP  20           HE3      TRP 120 132.779   0.262  -2.662
  574    HZ2  TRP  20           HZ2      TRP 120 128.749  -0.630  -5.410
  575    HZ3  TRP  20           HZ3      TRP 120 130.534   0.542  -1.741
  576    HH2  TRP  20           HH2      TRP 120 128.565   0.117  -3.096
  577    H    VAL  21           HN       VAL 121 135.398   2.094  -2.575
  578    HA   VAL  21           HA       VAL 121 138.316   1.679  -2.801
  579    HB   VAL  21           HB       VAL 121 137.053   3.571  -0.855
  580   1HG1  VAL  21          HG11      VAL 121 139.792   3.552  -2.091
  581   2HG1  VAL  21          HG12      VAL 121 139.380   2.826  -0.537
  582   3HG1  VAL  21          HG13      VAL 121 139.227   4.568  -0.764
  583   1HG2  VAL  21          HG21      VAL 121 138.245   4.849  -3.195
  584   2HG2  VAL  21          HG22      VAL 121 136.788   5.255  -2.289
  585   3HG2  VAL  21          HG23      VAL 121 136.734   4.000  -3.527
  586    H    LEU  22           HN       LEU 122 139.367   0.682  -1.312
  587    HA   LEU  22           HA       LEU 122 138.099  -1.143   0.345
  588   1HB   LEU  22          HB2       LEU 122 140.755  -0.330  -0.308
  589   2HB   LEU  22          HB1       LEU 122 140.639  -0.594   1.425
  590    HG   LEU  22           HG       LEU 122 140.254  -2.552  -0.811
  591   1HD1  LEU  22          HD11      LEU 122 142.013  -2.285   1.576
  592   2HD1  LEU  22          HD12      LEU 122 142.423  -2.696  -0.088
  593   3HD1  LEU  22          HD13      LEU 122 141.643  -3.891   0.950
  594   1HD2  LEU  22          HD21      LEU 122 138.790  -2.466   1.717
  595   2HD2  LEU  22          HD22      LEU 122 139.623  -3.990   1.420
  596   3HD2  LEU  22          HD23      LEU 122 138.459  -3.373   0.240
  597    H    LEU  23           HN       LEU 123 137.214  -1.067   2.208
  598    HA   LEU  23           HA       LEU 123 136.706   1.298   3.608
  599   1HB   LEU  23          HB2       LEU 123 135.228  -0.539   3.813
  600   2HB   LEU  23          HB1       LEU 123 136.507  -1.618   4.319
  601    HG   LEU  23           HG       LEU 123 136.597  -0.696   6.501
  602   1HD1  LEU  23          HD11      LEU 123 134.669   1.449   5.641
  603   2HD1  LEU  23          HD12      LEU 123 136.402   1.684   5.863
  604   3HD1  LEU  23          HD13      LEU 123 135.390   1.229   7.238
  605   1HD2  LEU  23          HD21      LEU 123 134.671  -2.180   5.999
  606   2HD2  LEU  23          HD22      LEU 123 133.689  -0.734   5.766
  607   3HD2  LEU  23          HD23      LEU 123 134.395  -1.064   7.329
  608    H    SER  24           HN       SER 124 139.266  -1.154   4.021
  609    HA   SER  24           HA       SER 124 140.141  -0.300   6.544
  610   1HB   SER  24          HB2       SER 124 142.223  -1.497   5.993
  611   2HB   SER  24          HB1       SER 124 140.801  -2.450   5.571
  612    HG   SER  24           HG       SER 124 141.478  -2.455   3.594
  613    H    THR  25           HN       THR 125 140.480   1.156   3.424
  614    HA   THR  25           HA       THR 125 142.862   2.605   3.996
  615    HB   THR  25           HB       THR 125 140.604   3.219   2.080
  616    HG1  THR  25           HG1      THR 125 142.280   1.342   1.912
  617   1HG2  THR  25          HG21      THR 125 142.821   4.876   2.818
  618   2HG2  THR  25          HG22      THR 125 141.501   5.196   1.693
  619   3HG2  THR  25          HG23      THR 125 142.957   4.373   1.134
  620    H    PHE  26           HN       PHE 126 139.635   2.747   5.033
  621    HA   PHE  26           HA       PHE 126 139.849   5.475   6.048
  622   1HB   PHE  26          HB2       PHE 126 137.507   3.591   5.845
  623   2HB   PHE  26          HB1       PHE 126 137.420   5.187   6.534
  624    HD1  PHE  26           HD1      PHE 126 138.101   3.343   3.406
  625    HD2  PHE  26           HD2      PHE 126 137.239   7.124   5.164
  626    HE1  PHE  26           HE1      PHE 126 137.738   4.295   1.163
  627    HE2  PHE  26           HE2      PHE 126 136.879   8.085   2.927
  628    HZ   PHE  26           HZ       PHE 126 137.133   6.680   0.920
  629    H    LEU  27           HN       LEU 127 140.895   2.643   7.038
  630    HA   LEU  27           HA       LEU 127 140.067   3.126   9.811
  631   1HB   LEU  27          HB2       LEU 127 139.836   0.760   8.223
  632   2HB   LEU  27          HB1       LEU 127 140.909   0.444   9.575
  633    HG   LEU  27           HG       LEU 127 139.240   1.038  11.156
  634   1HD1  LEU  27          HD11      LEU 127 138.052   2.465   8.952
  635   2HD1  LEU  27          HD12      LEU 127 137.809   2.652  10.689
  636   3HD1  LEU  27          HD13      LEU 127 136.872   1.454   9.790
  637   1HD2  LEU  27          HD21      LEU 127 137.274  -0.431   9.877
  638   2HD2  LEU  27          HD22      LEU 127 138.559  -1.043  10.932
  639   3HD2  LEU  27          HD23      LEU 127 138.795  -1.002   9.185
  Start of MODEL    2
    1   1H    GLY   1           HT1      GLY   1 127.760  -6.477 -13.340
    2   2H    GLY   1           HT2      GLY   1 129.054  -5.401 -13.504
    3   3H    GLY   1           HT3      GLY   1 128.401  -6.150 -14.872
    4   1HA   GLY   1          HA1       GLY   1 127.627  -3.911 -14.818
    5   2HA   GLY   1          HA2       GLY   1 126.283  -4.987 -14.489
    6    H    TYR   2           HN       TYR   2 125.567  -5.185 -12.202
    7    HA   TYR   2           HA       TYR   2 126.549  -3.053 -10.468
    8   1HB   TYR   2          HB2       TYR   2 123.683  -3.658 -10.978
    9   2HB   TYR   2          HB1       TYR   2 124.258  -2.503  -9.809
   10    HD1  TYR   2           HD1      TYR   2 122.410  -2.360 -12.418
   11    HD2  TYR   2           HD2      TYR   2 126.348  -1.164 -11.453
   12    HE1  TYR   2           HE1      TYR   2 122.269  -0.575 -14.110
   13    HE2  TYR   2           HE2      TYR   2 126.246   0.620 -13.137
   14    HH   TYR   2           HH       TYR   2 124.528   1.949 -14.300
   15    H    ILE   3           HN       ILE   3 125.792  -3.300  -8.196
   16    HA   ILE   3           HA       ILE   3 125.862  -6.124  -7.363
   17    HB   ILE   3           HB       ILE   3 125.846  -4.868  -5.027
   18   1HG1  ILE   3          HG12      ILE   3 127.412  -2.952  -6.741
   19   2HG1  ILE   3          HG11      ILE   3 125.782  -2.645  -6.142
   20   1HG2  ILE   3          HG21      ILE   3 127.566  -6.270  -5.116
   21   2HG2  ILE   3          HG22      ILE   3 128.495  -4.800  -5.409
   22   3HG2  ILE   3          HG23      ILE   3 128.004  -5.822  -6.760
   23   1HD1  ILE   3          HD11      ILE   3 128.351  -2.646  -4.717
   24   2HD1  ILE   3          HD12      ILE   3 126.965  -3.303  -3.849
   25   3HD1  ILE   3          HD13      ILE   3 126.911  -1.654  -4.472
   26    HA   PRO   4           HA       PRO   4 121.724  -5.761  -5.839
   27   1HB   PRO   4          HB2       PRO   4 121.785  -7.744  -3.923
   28   2HB   PRO   4          HB1       PRO   4 121.626  -8.063  -5.651
   29   1HG   PRO   4          HG2       PRO   4 123.876  -8.602  -3.905
   30   2HG   PRO   4          HG1       PRO   4 123.631  -9.099  -5.584
   31   1HD   PRO   4          HD2       PRO   4 125.265  -6.917  -4.529
   32   2HD   PRO   4          HD1       PRO   4 125.218  -7.594  -6.172
   33    H    GLU   5           HN       GLU   5 120.535  -4.877  -4.363
   34    HA   GLU   5           HA       GLU   5 121.568  -2.922  -2.711
   35   1HB   GLU   5          HB2       GLU   5 119.373  -2.701  -3.585
   36   2HB   GLU   5          HB1       GLU   5 118.852  -4.229  -2.895
   37   1HG   GLU   5          HG2       GLU   5 118.284  -3.288  -0.955
   38   2HG   GLU   5          HG1       GLU   5 119.744  -2.301  -0.897
   39    H    ALA   6           HN       ALA   6 121.840  -2.631  -0.581
   40    HA   ALA   6           HA       ALA   6 122.235  -4.983   1.072
   41   1HB   ALA   6          HB1       ALA   6 122.620  -2.314   2.267
   42   2HB   ALA   6          HB2       ALA   6 123.638  -2.678   0.875
   43   3HB   ALA   6          HB3       ALA   6 123.679  -3.725   2.294
   44    HA   PRO   7           HA       PRO   7 118.629  -4.916   3.594
   45   1HB   PRO   7          HB2       PRO   7 120.261  -4.446   6.016
   46   2HB   PRO   7          HB1       PRO   7 119.175  -5.784   5.631
   47   1HG   PRO   7          HG2       PRO   7 121.853  -6.064   5.610
   48   2HG   PRO   7          HG1       PRO   7 120.798  -6.949   4.491
   49   1HD   PRO   7          HD2       PRO   7 122.547  -4.596   3.990
   50   2HD   PRO   7          HD1       PRO   7 122.119  -5.937   2.912
   51    H    ARG   8           HN       ARG   8 117.169  -3.533   4.631
   52    HA   ARG   8           HA       ARG   8 118.097  -0.774   4.967
   53   1HB   ARG   8          HB2       ARG   8 115.416  -1.788   4.169
   54   2HB   ARG   8          HB1       ARG   8 115.744  -0.109   4.550
   55   1HG   ARG   8          HG2       ARG   8 117.540  -0.228   2.754
   56   2HG   ARG   8          HG1       ARG   8 116.784  -1.745   2.267
   57   1HD   ARG   8          HD2       ARG   8 115.107   0.685   2.622
   58   2HD   ARG   8          HD1       ARG   8 116.080   0.516   1.162
   59    HE   ARG   8           HE       ARG   8 113.644  -0.790   1.701
   60   1HH1  ARG   8          HH11      ARG   8 116.792  -1.412   0.325
   61   2HH1  ARG   8          HH12      ARG   8 116.226  -2.679  -0.710
   62   1HH2  ARG   8          HH21      ARG   8 112.900  -2.456   0.337
   63   2HH2  ARG   8          HH22      ARG   8 114.019  -3.271  -0.705
   64    H    ASP   9           HN       ASP   9 118.655  -1.993   7.143
   65    HA   ASP   9           HA       ASP   9 116.408  -1.583   9.038
   66   1HB   ASP   9          HB2       ASP   9 118.544  -3.598   8.875
   67   2HB   ASP   9          HB1       ASP   9 118.362  -2.872  10.469
   68    H    GLY  10           HN       GLY  10 118.599   0.281   7.833
   69   1HA   GLY  10          HA2       GLY  10 119.523   2.240   8.682
   70   2HA   GLY  10          HA1       GLY  10 118.968   1.767  10.282
   71    H    GLN  11           HN       GLN  11 120.745  -0.641   8.636
   72    HA   GLN  11           HA       GLN  11 123.027  -0.007  10.324
   73   1HB   GLN  11          HB2       GLN  11 122.351  -2.566   8.975
   74   2HB   GLN  11          HB1       GLN  11 123.719  -2.340   9.992
   75   1HG   GLN  11          HG2       GLN  11 121.226  -1.596  11.278
   76   2HG   GLN  11          HG1       GLN  11 121.289  -3.281  10.788
   77   1HE2  GLN  11          HE21      GLN  11 121.119  -2.966  13.380
   78   2HE2  GLN  11          HE22      GLN  11 122.635  -3.206  14.173
   79    H    ALA  12           HN       ALA  12 125.059   0.225   9.417
   80    HA   ALA  12           HA       ALA  12 125.017   0.830   6.595
   81   1HB   ALA  12          HB1       ALA  12 127.330   1.748   7.160
   82   2HB   ALA  12          HB2       ALA  12 126.874   1.486   8.833
   83   3HB   ALA  12          HB3       ALA  12 125.928   2.577   7.827
   84    H    TYR  13           HN       TYR  13 125.988  -0.155   5.075
   85    HA   TYR  13           HA       TYR  13 127.634  -2.474   5.804
   86   1HB   TYR  13          HB2       TYR  13 125.675  -2.118   3.585
   87   2HB   TYR  13          HB1       TYR  13 126.809  -3.399   3.640
   88    HD1  TYR  13           HD1      TYR  13 123.683  -2.303   4.833
   89    HD2  TYR  13           HD2      TYR  13 126.904  -4.879   5.624
   90    HE1  TYR  13           HE1      TYR  13 122.266  -3.573   6.400
   91    HE2  TYR  13           HE2      TYR  13 125.543  -6.160   7.174
   92    HH   TYR  13           HH       TYR  13 123.577  -6.028   8.467
   93    H    VAL  14           HN       VAL  14 129.206  -3.069   4.554
   94    HA   VAL  14           HA       VAL  14 130.522  -1.090   2.816
   95    HB   VAL  14           HB       VAL  14 131.983  -3.376   3.997
   96   1HG1  VAL  14          HG11      VAL  14 133.308  -1.125   4.835
   97   2HG1  VAL  14          HG12      VAL  14 132.583  -0.604   3.314
   98   3HG1  VAL  14          HG13      VAL  14 133.641  -2.016   3.348
   99   1HG2  VAL  14          HG21      VAL  14 131.259  -3.221   6.070
  100   2HG2  VAL  14          HG22      VAL  14 130.259  -1.825   5.669
  101   3HG2  VAL  14          HG23      VAL  14 131.937  -1.598   6.144
  102    H    ARG  15           HN       ARG  15 131.522  -2.101   0.897
  103    HA   ARG  15           HA       ARG  15 130.009  -4.523   0.239
  104   1HB   ARG  15          HB2       ARG  15 130.222  -2.110  -1.060
  105   2HB   ARG  15          HB1       ARG  15 131.334  -3.069  -1.932
  106   1HG   ARG  15          HG2       ARG  15 128.435  -3.113  -1.936
  107   2HG   ARG  15          HG1       ARG  15 129.548  -3.534  -3.213
  108   1HD   ARG  15          HD2       ARG  15 129.596  -5.527  -1.159
  109   2HD   ARG  15          HD1       ARG  15 127.946  -5.204  -1.665
  110    HE   ARG  15           HE       ARG  15 128.416  -6.148  -3.684
  111   1HH1  ARG  15          HH11      ARG  15 131.393  -5.663  -1.970
  112   2HH1  ARG  15          HH12      ARG  15 132.368  -6.422  -3.176
  113   1HH2  ARG  15          HH21      ARG  15 129.695  -7.146  -5.288
  114   2HH2  ARG  15          HH22      ARG  15 131.408  -7.261  -5.059
  115    H    LYS  16           HN       LYS  16 131.039  -6.247   0.575
  116    HA   LYS  16           HA       LYS  16 133.774  -6.570  -0.380
  117   1HB   LYS  16          HB2       LYS  16 134.500  -6.504   1.726
  118   2HB   LYS  16          HB1       LYS  16 132.891  -6.585   2.376
  119   1HG   LYS  16          HG2       LYS  16 133.043  -9.095   1.965
  120   2HG   LYS  16          HG1       LYS  16 134.765  -8.824   1.683
  121   1HD   LYS  16          HD2       LYS  16 133.869  -7.476   4.066
  122   2HD   LYS  16          HD1       LYS  16 133.503  -9.198   4.134
  123   1HE   LYS  16          HE2       LYS  16 135.673  -9.771   4.238
  124   2HE   LYS  16          HE1       LYS  16 136.184  -8.439   3.207
  125   1HZ   LYS  16          HZ1       LYS  16 137.007  -8.087   5.405
  126   2HZ   LYS  16          HZ2       LYS  16 135.471  -8.296   6.080
  127   3HZ   LYS  16          HZ3       LYS  16 135.792  -6.947   5.111
  128    H    ASP  17           HN       ASP  17 133.875  -8.272  -1.728
  129    HA   ASP  17           HA       ASP  17 133.405 -10.291  -2.691
  130   1HB   ASP  17          HB2       ASP  17 133.763 -10.757  -0.007
  131   2HB   ASP  17          HB1       ASP  17 132.249 -11.554  -0.377
  132    H    GLY  18           HN       GLY  18 131.378  -8.487  -3.186
  133   1HA   GLY  18          HA2       GLY  18 129.230  -8.450  -3.998
  134   2HA   GLY  18          HA1       GLY  18 129.285 -10.197  -3.941
  135    H    GLU  19           HN       GLU  19 129.788  -8.724  -0.825
  136    HA   GLU  19           HA       GLU  19 126.952  -9.042  -0.270
  137   1HB   GLU  19          HB2       GLU  19 128.537  -9.763   1.997
  138   2HB   GLU  19          HB1       GLU  19 127.358 -10.723   1.129
  139   1HG   GLU  19          HG2       GLU  19 128.946 -11.767  -0.157
  140   2HG   GLU  19          HG1       GLU  19 130.106 -10.455   0.033
  141    H    TRP  20           HN       TRP  20 126.258  -7.996   1.693
  142    HA   TRP  20           HA       TRP  20 127.711  -5.513   2.091
  143   1HB   TRP  20          HB2       TRP  20 124.846  -6.252   2.769
  144   2HB   TRP  20          HB1       TRP  20 125.601  -4.719   3.149
  145    HD1  TRP  20           HD1      TRP  20 123.703  -6.317   0.422
  146    HE1  TRP  20           HE1      TRP  20 123.869  -4.882  -1.721
  147    HE3  TRP  20           HE3      TRP  20 127.488  -3.197   1.824
  148    HZ2  TRP  20           HZ2      TRP  20 125.415  -2.731  -2.661
  149    HZ3  TRP  20           HZ3      TRP  20 128.249  -1.486   0.253
  150    HH2  TRP  20           HH2      TRP  20 127.236  -1.266  -1.951
  151    H    VAL  21           HN       VAL  21 129.033  -5.391   3.735
  152    HA   VAL  21           HA       VAL  21 128.398  -6.901   6.193
  153    HB   VAL  21           HB       VAL  21 131.123  -5.801   5.571
  154   1HG1  VAL  21          HG11      VAL  21 130.049  -7.834   7.504
  155   2HG1  VAL  21          HG12      VAL  21 130.782  -6.271   7.866
  156   3HG1  VAL  21          HG13      VAL  21 131.770  -7.580   7.217
  157   1HG2  VAL  21          HG21      VAL  21 130.128  -8.575   4.929
  158   2HG2  VAL  21          HG22      VAL  21 131.826  -8.096   4.960
  159   3HG2  VAL  21          HG23      VAL  21 130.728  -7.374   3.785
  160    H    LEU  22           HN       LEU  22 128.349  -5.938   8.039
  161    HA   LEU  22           HA       LEU  22 127.635  -3.279   8.218
  162   1HB   LEU  22          HB2       LEU  22 128.082  -5.506   9.955
  163   2HB   LEU  22          HB1       LEU  22 128.520  -3.981  10.718
  164    HG   LEU  22           HG       LEU  22 125.844  -4.836   9.654
  165   1HD1  LEU  22          HD11      LEU  22 125.102  -4.482  11.826
  166   2HD1  LEU  22          HD12      LEU  22 126.532  -3.544  12.250
  167   3HD1  LEU  22          HD13      LEU  22 126.659  -5.284  12.007
  168   1HD2  LEU  22          HD21      LEU  22 125.525  -2.265  10.626
  169   2HD2  LEU  22          HD22      LEU  22 125.476  -2.755   8.927
  170   3HD2  LEU  22          HD23      LEU  22 126.981  -2.165   9.641
  171    H    LEU  23           HN       LEU  23 128.665  -1.441   8.329
  172    HA   LEU  23           HA       LEU  23 131.439  -1.199   7.968
  173   1HB   LEU  23          HB2       LEU  23 129.873   0.537   7.340
  174   2HB   LEU  23          HB1       LEU  23 129.405   0.772   8.999
  175    HG   LEU  23           HG       LEU  23 131.348   1.916   9.560
  176   1HD1  LEU  23          HD11      LEU  23 132.904   0.214   8.590
  177   2HD1  LEU  23          HD12      LEU  23 133.413   1.894   8.417
  178   3HD1  LEU  23          HD13      LEU  23 132.723   1.033   7.039
  179   1HD2  LEU  23          HD21      LEU  23 129.934   3.160   7.938
  180   2HD2  LEU  23          HD22      LEU  23 131.045   2.646   6.666
  181   3HD2  LEU  23          HD23      LEU  23 131.620   3.662   7.973
  182    H    SER  24           HN       SER  24 129.404  -0.880  10.847
  183    HA   SER  24           HA       SER  24 131.445  -0.041  12.579
  184   1HB   SER  24          HB2       SER  24 128.686  -1.005  12.850
  185   2HB   SER  24          HB1       SER  24 129.715  -1.386  14.230
  186    HG   SER  24           HG       SER  24 128.736   0.659  14.458
  187    H    THR  25           HN       THR  25 130.835  -3.142  11.187
  188    HA   THR  25           HA       THR  25 132.067  -4.665  13.260
  189    HB   THR  25           HB       THR  25 131.538  -5.226  10.350
  190    HG1  THR  25           HG1      THR  25 129.823  -5.289  11.928
  191   1HG2  THR  25          HG21      THR  25 133.208  -6.716  10.421
  192   2HG2  THR  25          HG22      THR  25 132.030  -7.675  11.319
  193   3HG2  THR  25          HG23      THR  25 133.255  -6.747  12.185
  194    H    PHE  26           HN       PHE  26 133.114  -2.543  10.818
  195    HA   PHE  26           HA       PHE  26 135.887  -3.439  10.859
  196   1HB   PHE  26          HB2       PHE  26 134.417  -1.424   9.162
  197   2HB   PHE  26          HB1       PHE  26 136.136  -1.722   9.020
  198    HD1  PHE  26           HD1      PHE  26 132.790  -3.072   8.438
  199    HD2  PHE  26           HD2      PHE  26 136.959  -3.834   8.072
  200    HE1  PHE  26           HE1      PHE  26 132.310  -4.967   6.948
  201    HE2  PHE  26           HE2      PHE  26 136.493  -5.732   6.587
  202    HZ   PHE  26           HZ       PHE  26 134.171  -6.316   6.014
  203    H    LEU  27           HN       LEU  27 134.010  -1.667  12.768
  204    HA   LEU  27           HA       LEU  27 136.098   0.333  13.263
  205   1HB   LEU  27          HB2       LEU  27 133.196   0.448  13.156
  206   2HB   LEU  27          HB1       LEU  27 133.843   1.154  14.624
  207    HG   LEU  27           HG       LEU  27 135.020   2.792  13.474
  208   1HD1  LEU  27          HD11      LEU  27 135.084   0.905  11.283
  209   2HD1  LEU  27          HD12      LEU  27 136.178   2.231  11.682
  210   3HD1  LEU  27          HD13      LEU  27 134.698   2.552  10.765
  211   1HD2  LEU  27          HD21      LEU  27 132.299   2.293  12.459
  212   2HD2  LEU  27          HD22      LEU  27 133.255   3.578  11.723
  213   3HD2  LEU  27          HD23      LEU  27 132.923   3.599  13.467
  214   1H    GLY   1           HT1      GLY  51 116.769  -7.565  -6.440
  215   2H    GLY   1           HT2      GLY  51 116.456  -5.934  -6.761
  216   3H    GLY   1           HT3      GLY  51 115.439  -6.802  -5.725
  217   1HA   GLY   1          HA1       GLY  51 116.730  -5.572  -4.265
  218   2HA   GLY   1          HA2       GLY  51 117.476  -7.162  -4.277
  219    H    TYR   2           HN       TYR  52 117.644  -4.120  -6.142
  220    HA   TYR   2           HA       TYR  52 120.569  -4.236  -5.902
  221   1HB   TYR   2          HB2       TYR  52 118.937  -4.141  -8.379
  222   2HB   TYR   2          HB1       TYR  52 120.377  -3.134  -8.339
  223    HD1  TYR   2           HD1      TYR  52 122.137  -4.085  -9.460
  224    HD2  TYR   2           HD2      TYR  52 119.564  -6.626  -7.221
  225    HE1  TYR   2           HE1      TYR  52 123.506  -6.024 -10.089
  226    HE2  TYR   2           HE2      TYR  52 120.934  -8.569  -7.835
  227    HH   TYR   2           HH       TYR  52 123.130  -9.107  -8.606
  228    H    ILE   3           HN       ILE  53 121.458  -2.364  -5.241
  229    HA   ILE   3           HA       ILE  53 119.737  -0.078  -4.746
  230    HB   ILE   3           HB       ILE  53 121.834   1.006  -3.903
  231   1HG1  ILE   3          HG12      ILE  53 122.914  -1.748  -4.441
  232   2HG1  ILE   3          HG11      ILE  53 123.527  -0.193  -4.965
  233   1HG2  ILE   3          HG21      ILE  53 121.940  -0.743  -1.889
  234   2HG2  ILE   3          HG22      ILE  53 120.472  -1.298  -2.674
  235   3HG2  ILE   3          HG23      ILE  53 120.593   0.367  -2.127
  236   1HD1  ILE   3          HD11      ILE  53 124.062   0.319  -2.608
  237   2HD1  ILE   3          HD12      ILE  53 124.974  -1.022  -3.291
  238   3HD1  ILE   3          HD13      ILE  53 123.621  -1.338  -2.202
  239    HA   PRO   4           HA       PRO  54 121.269   2.369  -8.047
  240   1HB   PRO   4          HB2       PRO  54 120.482   4.814  -7.257
  241   2HB   PRO   4          HB1       PRO  54 119.297   3.573  -7.685
  242   1HG   PRO   4          HG2       PRO  54 120.179   4.504  -4.992
  243   2HG   PRO   4          HG1       PRO  54 118.572   3.987  -5.531
  244   1HD   PRO   4          HD2       PRO  54 120.414   2.407  -4.133
  245   2HD   PRO   4          HD1       PRO  54 119.000   1.815  -5.011
  246    H    GLU   5           HN       GLU  55 122.710   4.000  -8.648
  247    HA   GLU   5           HA       GLU  55 125.188   3.805  -7.445
  248   1HB   GLU   5          HB2       GLU  55 125.007   4.214  -9.784
  249   2HB   GLU   5          HB1       GLU  55 124.126   5.711  -9.521
  250   1HG   GLU   5          HG2       GLU  55 126.001   6.897  -9.043
  251   2HG   GLU   5          HG1       GLU  55 126.854   5.503  -8.382
  252    H    ALA   6           HN       ALA  56 126.499   5.100  -6.314
  253    HA   ALA   6           HA       ALA  56 125.283   7.041  -4.547
  254   1HB   ALA   6          HB1       ALA  56 126.739   5.647  -3.388
  255   2HB   ALA   6          HB2       ALA  56 127.725   7.080  -3.653
  256   3HB   ALA   6          HB3       ALA  56 127.935   5.664  -4.677
  257    HA   PRO   7           HA       PRO  57 126.828  10.818  -6.274
  258   1HB   PRO   7          HB2       PRO  57 128.036  11.647  -3.746
  259   2HB   PRO   7          HB1       PRO  57 126.615  12.289  -4.571
  260   1HG   PRO   7          HG2       PRO  57 126.432  10.896  -2.270
  261   2HG   PRO   7          HG1       PRO  57 125.179  10.827  -3.523
  262   1HD   PRO   7          HD2       PRO  57 127.371   8.873  -2.925
  263   2HD   PRO   7          HD1       PRO  57 125.664   8.566  -3.313
  264    H    ARG   8           HN       ARG  58 128.637  11.949  -7.013
  265    HA   ARG   8           HA       ARG  58 131.214  10.612  -6.584
  266   1HB   ARG   8          HB2       ARG  58 130.002  11.918  -8.932
  267   2HB   ARG   8          HB1       ARG  58 131.737  11.752  -8.836
  268   1HG   ARG   8          HG2       ARG  58 131.209   9.860  -9.991
  269   2HG   ARG   8          HG1       ARG  58 131.146   9.245  -8.342
  270   1HD   ARG   8          HD2       ARG  58 129.146   8.462  -9.015
  271   2HD   ARG   8          HD1       ARG  58 128.623  10.092  -8.597
  272    HE   ARG   8           HE       ARG  58 129.502   9.945 -11.297
  273   1HH1  ARG   8          HH11      ARG  58 126.809   9.175  -9.215
  274   2HH1  ARG   8          HH12      ARG  58 125.638   9.274 -10.487
  275   1HH2  ARG   8          HH21      ARG  58 127.966  10.078 -12.967
  276   2HH2  ARG   8          HH22      ARG  58 126.295   9.787 -12.618
  277    H    ASP   9           HN       ASP  59 131.725  11.877  -4.785
  278    HA   ASP   9           HA       ASP  59 132.703  14.570  -5.483
  279   1HB   ASP   9          HB2       ASP  59 131.748  14.019  -2.700
  280   2HB   ASP   9          HB1       ASP  59 131.883  15.555  -3.548
  281    H    GLY  10           HN       GLY  60 133.656  11.595  -4.742
  282   1HA   GLY  10          HA2       GLY  60 135.729  10.815  -4.080
  283   2HA   GLY  10          HA1       GLY  60 136.210  12.443  -3.657
  284    H    GLN  11           HN       GLN  61 133.215  11.429  -2.340
  285    HA   GLN  11           HA       GLN  61 134.553  11.079   0.231
  286   1HB   GLN  11          HB2       GLN  61 132.118  12.396  -0.586
  287   2HB   GLN  11          HB1       GLN  61 131.787  11.265   0.664
  288   1HG   GLN  11          HG2       GLN  61 133.261  13.815   0.723
  289   2HG   GLN  11          HG1       GLN  61 132.178  13.122   1.902
  290   1HE2  GLN  11          HE21      GLN  61 135.485  13.632   1.169
  291   2HE2  GLN  11          HE22      GLN  61 136.137  12.666   2.429
  292    H    ALA  12           HN       ALA  62 134.084   9.196   1.467
  293    HA   ALA  12           HA       ALA  62 133.126   7.011  -0.177
  294   1HB   ALA  12          HB1       ALA  62 134.589   5.758   0.944
  295   2HB   ALA  12          HB2       ALA  62 133.939   6.269   2.502
  296   3HB   ALA  12          HB3       ALA  62 135.165   7.245   1.694
  297    H    TYR  13           HN       TYR  63 131.362   5.908   0.121
  298    HA   TYR  13           HA       TYR  63 129.573   6.804   2.266
  299   1HB   TYR  13          HB2       TYR  63 129.039   6.034  -0.567
  300   2HB   TYR  13          HB1       TYR  63 127.794   5.979   0.603
  301    HD1  TYR  13           HD1      TYR  63 129.412   8.005  -1.693
  302    HD2  TYR  13           HD2      TYR  63 127.515   8.099   2.051
  303    HE1  TYR  13           HE1      TYR  63 129.076  10.434  -1.960
  304    HE2  TYR  13           HE2      TYR  63 127.170  10.500   1.859
  305    HH   TYR  13           HH       TYR  63 127.665  12.364   0.656
  306    H    VAL  14           HN       VAL  64 128.162   5.313   3.163
  307    HA   VAL  14           HA       VAL  64 128.926   2.473   2.913
  308    HB   VAL  14           HB       VAL  64 128.397   4.084   5.229
  309   1HG1  VAL  14          HG11      VAL  64 126.382   1.867   5.133
  310   2HG1  VAL  14          HG12      VAL  64 125.985   3.429   4.421
  311   3HG1  VAL  14          HG13      VAL  64 126.402   3.328   6.116
  312   1HG2  VAL  14          HG21      VAL  64 128.481   1.078   5.186
  313   2HG2  VAL  14          HG22      VAL  64 129.054   2.175   6.438
  314   3HG2  VAL  14          HG23      VAL  64 129.919   2.058   4.906
  315    H    ARG  15           HN       ARG  65 126.986   0.970   2.853
  316    HA   ARG  15           HA       ARG  65 124.698   2.441   1.742
  317   1HB   ARG  15          HB2       ARG  65 126.112   0.365   0.611
  318   2HB   ARG  15          HB1       ARG  65 124.769  -0.467   1.318
  319   1HG   ARG  15          HG2       ARG  65 124.902   0.978  -1.103
  320   2HG   ARG  15          HG1       ARG  65 123.577   0.022  -0.482
  321   1HD   ARG  15          HD2       ARG  65 122.855   2.022   0.785
  322   2HD   ARG  15          HD1       ARG  65 124.132   2.928  -0.023
  323    HE   ARG  15           HE       ARG  65 122.218   1.542  -1.716
  324   1HH1  ARG  15          HH11      ARG  65 123.345   4.518  -0.352
  325   2HH1  ARG  15          HH12      ARG  65 122.434   5.514  -1.431
  326   1HH2  ARG  15          HH21      ARG  65 121.083   2.844  -3.173
  327   2HH2  ARG  15          HH22      ARG  65 121.172   4.565  -3.055
  328    H    LYS  16           HN       LYS  66 123.351   2.823   3.275
  329    HA   LYS  16           HA       LYS  66 122.420   0.635   4.957
  330   1HB   LYS  16          HB2       LYS  66 123.237   1.452   6.842
  331   2HB   LYS  16          HB1       LYS  66 124.129   2.622   5.909
  332   1HG   LYS  16          HG2       LYS  66 122.120   4.134   6.149
  333   2HG   LYS  16          HG1       LYS  66 121.514   2.967   7.334
  334   1HD   LYS  16          HD2       LYS  66 124.176   3.348   8.024
  335   2HD   LYS  16          HD1       LYS  66 123.597   4.960   7.617
  336   1HE   LYS  16          HE2       LYS  66 121.820   4.731   9.213
  337   2HE   LYS  16          HE1       LYS  66 122.295   3.084   9.557
  338   1HZ   LYS  16          HZ1       LYS  66 124.563   4.476   9.996
  339   2HZ   LYS  16          HZ2       LYS  66 123.474   4.000  11.197
  340   3HZ   LYS  16          HZ3       LYS  66 123.380   5.555  10.540
  341    H    ASP  17           HN       ASP  67 120.267   0.505   4.926
  342    HA   ASP  17           HA       ASP  67 118.085   1.090   4.595
  343   1HB   ASP  17          HB2       ASP  67 119.066   2.893   6.379
  344   2HB   ASP  17          HB1       ASP  67 118.436   3.919   5.108
  345    H    GLY  18           HN       GLY  68 119.596   1.032   2.269
  346   1HA   GLY  18          HA2       GLY  68 119.463   1.632   0.074
  347   2HA   GLY  18          HA1       GLY  68 117.950   2.415   0.482
  348    H    GLU  19           HN       GLU  69 120.661   3.763   2.249
  349    HA   GLU  19           HA       GLU  69 120.874   5.820   0.204
  350   1HB   GLU  19          HB2       GLU  69 121.271   6.857   2.868
  351   2HB   GLU  19          HB1       GLU  69 120.168   7.391   1.619
  352   1HG   GLU  19          HG2       GLU  69 118.450   5.994   2.369
  353   2HG   GLU  19          HG1       GLU  69 119.554   5.038   3.357
  354    H    TRP  20           HN       TRP  70 122.836   7.043   0.216
  355    HA   TRP  20           HA       TRP  70 125.093   5.410   1.086
  356   1HB   TRP  20          HB2       TRP  70 124.893   7.711  -0.879
  357   2HB   TRP  20          HB1       TRP  70 126.419   7.018  -0.361
  358    HD1  TRP  20           HD1      TRP  70 123.963   6.569  -3.042
  359    HE1  TRP  20           HE1      TRP  70 124.213   4.223  -4.126
  360    HE3  TRP  20           HE3      TRP  70 126.948   4.369   0.457
  361    HZ2  TRP  20           HZ2      TRP  70 125.519   1.813  -3.541
  362    HZ3  TRP  20           HZ3      TRP  70 127.660   2.062   0.120
  363    HH2  TRP  20           HH2      TRP  70 126.946   0.801  -1.830
  364    H    VAL  21           HN       VAL  71 125.921   5.835   3.024
  365    HA   VAL  21           HA       VAL  71 125.795   8.577   4.097
  366    HB   VAL  21           HB       VAL  71 125.692   7.683   6.252
  367   1HG1  VAL  21          HG11      VAL  71 123.641   7.130   5.223
  368   2HG1  VAL  21          HG12      VAL  71 124.163   5.710   6.131
  369   3HG1  VAL  21          HG13      VAL  71 124.357   5.753   4.379
  370   1HG2  VAL  21          HG21      VAL  71 126.297   5.283   6.718
  371   2HG2  VAL  21          HG22      VAL  71 127.647   6.303   6.196
  372   3HG2  VAL  21          HG23      VAL  71 126.885   5.202   5.061
  373    H    LEU  22           HN       LEU  72 127.507   9.650   4.555
  374    HA   LEU  22           HA       LEU  72 129.977   8.949   3.583
  375   1HB   LEU  22          HB2       LEU  72 128.818  11.049   5.125
  376   2HB   LEU  22          HB1       LEU  72 130.444  10.687   5.694
  377    HG   LEU  22           HG       LEU  72 129.563  11.676   3.010
  378   1HD1  LEU  22          HD11      LEU  72 132.071  12.558   4.173
  379   2HD1  LEU  22          HD12      LEU  72 130.660  12.891   5.174
  380   3HD1  LEU  22          HD13      LEU  72 130.729  13.493   3.518
  381   1HD2  LEU  22          HD21      LEU  72 130.863  10.024   2.133
  382   2HD2  LEU  22          HD22      LEU  72 131.852   9.878   3.588
  383   3HD2  LEU  22          HD23      LEU  72 132.110  11.221   2.480
  384    H    LEU  23           HN       LEU  73 131.388   7.564   4.183
  385    HA   LEU  23           HA       LEU  73 131.137   5.814   6.328
  386   1HB   LEU  23          HB2       LEU  73 132.447   5.279   4.431
  387   2HB   LEU  23          HB1       LEU  73 133.463   6.668   4.632
  388    HG   LEU  23           HG       LEU  73 133.900   5.379   6.989
  389   1HD1  LEU  23          HD11      LEU  73 134.595   3.057   5.768
  390   2HD1  LEU  23          HD12      LEU  73 132.988   3.362   5.096
  391   3HD1  LEU  23          HD13      LEU  73 133.212   3.270   6.844
  392   1HD2  LEU  23          HD21      LEU  73 135.835   4.394   5.302
  393   2HD2  LEU  23          HD22      LEU  73 135.867   5.922   6.183
  394   3HD2  LEU  23          HD23      LEU  73 135.286   5.876   4.520
  395    H    SER  24           HN       SER  74 132.863   8.842   6.034
  396    HA   SER  24           HA       SER  74 134.462   8.629   8.329
  397   1HB   SER  24          HB2       SER  74 133.279  11.184   7.221
  398   2HB   SER  24          HB1       SER  74 134.731  11.025   8.205
  399    HG   SER  24           HG       SER  74 134.713   9.540   5.871
  400    H    THR  25           HN       THR  75 131.060   9.004   8.058
  401    HA   THR  25           HA       THR  75 130.678  10.311  10.567
  402    HB   THR  25           HB       THR  75 128.845   8.596   8.888
  403    HG1  THR  25           HG1      THR  75 129.491  10.801   8.242
  404   1HG2  THR  25          HG21      THR  75 128.391   9.763  11.570
  405   2HG2  THR  25          HG22      THR  75 127.722   8.307  10.833
  406   3HG2  THR  25          HG23      THR  75 127.096   9.893  10.379
  407    H    PHE  26           HN       PHE  76 131.611   7.219   9.487
  408    HA   PHE  26           HA       PHE  76 130.967   5.877  11.989
  409   1HB   PHE  26          HB2       PHE  76 131.954   4.801   9.332
  410   2HB   PHE  26          HB1       PHE  76 131.645   3.809  10.744
  411    HD1  PHE  26           HD1      PHE  76 129.859   6.381   8.657
  412    HD2  PHE  26           HD2      PHE  76 129.566   2.782  10.912
  413    HE1  PHE  26           HE1      PHE  76 127.453   6.221   8.085
  414    HE2  PHE  26           HE2      PHE  76 127.177   2.620  10.347
  415    HZ   PHE  26           HZ       PHE  76 126.096   4.340   8.936
  416    H    LEU  27           HN       LEU  77 133.621   7.528  10.586
  417    HA   LEU  27           HA       LEU  77 135.457   5.916  12.223
  418   1HB   LEU  27          HB2       LEU  77 136.338   8.006  10.260
  419   2HB   LEU  27          HB1       LEU  77 137.265   6.686  10.938
  420    HG   LEU  27           HG       LEU  77 135.154   6.542   8.792
  421   1HD1  LEU  27          HD11      LEU  77 138.047   6.569   8.887
  422   2HD1  LEU  27          HD12      LEU  77 136.958   6.767   7.514
  423   3HD1  LEU  27          HD13      LEU  77 137.412   5.147   8.058
  424   1HD2  LEU  27          HD21      LEU  77 135.807   4.526  10.721
  425   2HD2  LEU  27          HD22      LEU  77 136.379   4.033   9.120
  426   3HD2  LEU  27          HD23      LEU  77 134.679   4.449   9.364
  427   1H    GLY   1           HT1      GLY 101 119.339   6.035 -11.507
  428   2H    GLY   1           HT2      GLY 101 120.722   7.008 -11.482
  429   3H    GLY   1           HT3      GLY 101 120.349   6.035 -10.150
  430   1HA   GLY   1          HA1       GLY 101 120.494   4.444 -12.480
  431   2HA   GLY   1          HA2       GLY 101 121.964   5.399 -12.312
  432    H    TYR   2           HN       TYR 102 122.415   2.771 -12.108
  433    HA   TYR   2           HA       TYR 102 122.537   2.225  -9.219
  434   1HB   TYR   2          HB2       TYR 102 122.144   0.380 -11.527
  435   2HB   TYR   2          HB1       TYR 102 122.824  -0.219 -10.031
  436    HD1  TYR   2           HD1      TYR 102 121.028  -1.740  -9.582
  437    HD2  TYR   2           HD2      TYR 102 120.225   2.396 -10.126
  438    HE1  TYR   2           HE1      TYR 102 118.757  -2.061  -8.691
  439    HE2  TYR   2           HE2      TYR 102 117.961   2.090  -9.235
  440    HH   TYR   2           HH       TYR 102 116.426   0.600  -8.560
  441    H    ILE   3           HN       ILE 103 124.469   1.286  -8.366
  442    HA   ILE   3           HA       ILE 103 126.871   2.032  -9.845
  443    HB   ILE   3           HB       ILE 103 128.015   0.963  -7.794
  444   1HG1  ILE   3          HG12      ILE 103 125.277   1.475  -6.645
  445   2HG1  ILE   3          HG11      ILE 103 126.067  -0.083  -6.846
  446   1HG2  ILE   3          HG21      ILE 103 128.451   3.021  -7.142
  447   2HG2  ILE   3          HG22      ILE 103 126.785   3.342  -6.713
  448   3HG2  ILE   3          HG23      ILE 103 127.322   3.559  -8.380
  449   1HD1  ILE   3          HD11      ILE 103 127.926   0.924  -5.399
  450   2HD1  ILE   3          HD12      ILE 103 126.434   0.399  -4.619
  451   3HD1  ILE   3          HD13      ILE 103 126.713   2.112  -4.951
  452    HA   PRO   4           HA       PRO 104 127.698  -2.161 -10.792
  453   1HB   PRO   4          HB2       PRO 104 130.387  -1.892 -11.431
  454   2HB   PRO   4          HB1       PRO 104 129.074  -1.420 -12.510
  455   1HG   PRO   4          HG2       PRO 104 130.946   0.276 -11.123
  456   2HG   PRO   4          HG1       PRO 104 129.694   0.736 -12.285
  457   1HD   PRO   4          HD2       PRO 104 129.652   0.880  -9.347
  458   2HD   PRO   4          HD1       PRO 104 128.618   1.700 -10.532
  459    H    GLU   5           HN       GLU 105 128.648  -4.006 -10.194
  460    HA   GLU   5           HA       GLU 105 129.003  -4.376  -7.486
  461   1HB   GLU   5          HB2       GLU 105 128.257  -6.146  -8.923
  462   2HB   GLU   5          HB1       GLU 105 129.756  -6.104  -9.838
  463   1HG   GLU   5          HG2       GLU 105 130.857  -7.358  -8.348
  464   2HG   GLU   5          HG1       GLU 105 130.051  -6.619  -6.968
  465    H    ALA   6           HN       ALA 106 130.619  -4.701  -6.132
  466    HA   ALA   6           HA       ALA 106 133.198  -3.583  -6.821
  467   1HB   ALA   6          HB1       ALA 106 133.686  -3.796  -4.428
  468   2HB   ALA   6          HB2       ALA 106 132.162  -4.648  -4.201
  469   3HB   ALA   6          HB3       ALA 106 132.156  -2.966  -4.701
  470    HA   PRO   7           HA       PRO 107 135.630  -7.213  -7.370
  471   1HB   PRO   7          HB2       PRO 107 137.364  -6.286  -5.140
  472   2HB   PRO   7          HB1       PRO 107 137.792  -6.677  -6.806
  473   1HG   PRO   7          HG2       PRO 107 137.693  -4.147  -5.999
  474   2HG   PRO   7          HG1       PRO 107 137.104  -4.608  -7.608
  475   1HD   PRO   7          HD2       PRO 107 135.552  -3.985  -5.127
  476   2HD   PRO   7          HD1       PRO 107 135.202  -3.556  -6.815
  477    H    ARG   8           HN       ARG 108 136.011  -9.256  -6.500
  478    HA   ARG   8           HA       ARG 108 134.879  -9.713  -3.832
  479   1HB   ARG   8          HB2       ARG 108 134.994 -11.518  -6.197
  480   2HB   ARG   8          HB1       ARG 108 134.406 -12.003  -4.623
  481   1HG   ARG   8          HG2       ARG 108 132.782 -10.022  -4.873
  482   2HG   ARG   8          HG1       ARG 108 133.197 -10.104  -6.584
  483   1HD   ARG   8          HD2       ARG 108 132.355 -12.549  -5.093
  484   2HD   ARG   8          HD1       ARG 108 131.154 -11.421  -5.718
  485    HE   ARG   8           HE       ARG 108 131.698 -12.057  -7.882
  486   1HH1  ARG   8          HH11      ARG 108 133.852 -13.588  -5.594
  487   2HH1  ARG   8          HH12      ARG 108 134.465 -14.723  -6.748
  488   1HH2  ARG   8          HH21      ARG 108 132.505 -13.555  -9.391
  489   2HH2  ARG   8          HH22      ARG 108 133.703 -14.705  -8.899
  490    H    ASP   9           HN       ASP 109 137.067  -9.066  -3.152
  491    HA   ASP   9           HA       ASP 109 138.970 -11.327  -3.228
  492   1HB   ASP   9          HB2       ASP 109 139.508  -8.402  -2.665
  493   2HB   ASP   9          HB1       ASP 109 140.710  -9.688  -2.658
  494    H    GLY  10           HN       GLY 110 136.572 -10.592  -1.347
  495   1HA   GLY  10          HA2       GLY 110 136.188 -11.073   0.885
  496   2HA   GLY  10          HA1       GLY 110 137.885 -11.521   1.028
  497    H    GLN  11           HN       GLN 111 137.341  -8.417  -0.301
  498    HA   GLN  11           HA       GLN 111 137.986  -7.208   2.300
  499   1HB   GLN  11          HB2       GLN 111 139.019  -6.798  -0.373
  500   2HB   GLN  11          HB1       GLN 111 138.637  -5.322   0.433
  501   1HG   GLN  11          HG2       GLN 111 140.345  -7.423   1.735
  502   2HG   GLN  11          HG1       GLN 111 141.023  -6.299   0.586
  503   1HE2  GLN  11          HE21      GLN 111 139.165  -6.333   3.570
  504   2HE2  GLN  11          HE22      GLN 111 139.854  -4.908   4.234
  505    H    ALA  12           HN       ALA 112 137.132  -5.208   2.787
  506    HA   ALA  12           HA       ALA 112 134.468  -4.746   1.703
  507   1HB   ALA  12          HB1       ALA 112 135.303  -3.078   3.945
  508   2HB   ALA  12          HB2       ALA 112 135.396  -4.804   4.284
  509   3HB   ALA  12          HB3       ALA 112 133.871  -4.089   3.758
  510    H    TYR  13           HN       TYR 113 133.829  -3.056   0.684
  511    HA   TYR  13           HA       TYR 113 135.816  -0.962   0.132
  512   1HB   TYR  13          HB2       TYR 113 133.745  -2.192  -1.642
  513   2HB   TYR  13          HB1       TYR 113 134.492  -0.677  -2.026
  514    HD1  TYR  13           HD1      TYR 113 134.775  -4.201  -2.087
  515    HD2  TYR  13           HD2      TYR 113 137.013  -0.646  -2.319
  516    HE1  TYR  13           HE1      TYR 113 136.638  -5.448  -3.088
  517    HE2  TYR  13           HE2      TYR 113 138.914  -1.877  -3.285
  518    HH   TYR  13           HH       TYR 113 139.265  -3.978  -4.572
  519    H    VAL  14           HN       VAL 114 135.031   1.071  -0.322
  520    HA   VAL  14           HA       VAL 114 132.467   1.825   0.933
  521    HB   VAL  14           HB       VAL 114 134.124   4.043   0.307
  522   1HG1  VAL  14          HG11      VAL 114 132.891   4.538   2.110
  523   2HG1  VAL  14          HG12      VAL 114 134.321   3.980   2.979
  524   3HG1  VAL  14          HG13      VAL 114 132.952   2.891   2.743
  525   1HG2  VAL  14          HG21      VAL 114 135.655   1.741   1.319
  526   2HG2  VAL  14          HG22      VAL 114 135.991   3.302   2.052
  527   3HG2  VAL  14          HG23      VAL 114 136.158   3.095   0.313
  528    H    ARG  15           HN       ARG 115 131.241   3.453  -0.322
  529    HA   ARG  15           HA       ARG 115 132.021   3.240  -3.129
  530   1HB   ARG  15          HB2       ARG 115 129.622   2.610  -1.996
  531   2HB   ARG  15          HB1       ARG 115 129.327   4.239  -2.461
  532   1HG   ARG  15          HG2       ARG 115 129.212   1.900  -4.042
  533   2HG   ARG  15          HG1       ARG 115 128.789   3.534  -4.501
  534   1HD   ARG  15          HD2       ARG 115 131.486   3.585  -4.755
  535   2HD   ARG  15          HD1       ARG 115 131.131   1.910  -5.140
  536    HE   ARG  15           HE       ARG 115 129.763   4.115  -6.500
  537   1HH1  ARG  15          HH11      ARG 115 131.742   1.229  -6.626
  538   2HH1  ARG  15          HH12      ARG 115 131.606   1.070  -8.343
  539   1HH2  ARG  15          HH21      ARG 115 129.565   3.876  -8.746
  540   2HH2  ARG  15          HH22      ARG 115 130.403   2.595  -9.551
  541    H    LYS  16           HN       LYS 116 133.153   4.846  -3.714
  542    HA   LYS  16           HA       LYS 116 132.316   7.566  -3.067
  543   1HB   LYS  16          HB2       LYS 116 134.044   7.815  -1.680
  544   2HB   LYS  16          HB1       LYS 116 134.688   6.245  -2.098
  545   1HG   LYS  16          HG2       LYS 116 135.708   7.359  -4.138
  546   2HG   LYS  16          HG1       LYS 116 135.231   8.896  -3.418
  547   1HD   LYS  16          HD2       LYS 116 136.502   7.765  -1.330
  548   2HD   LYS  16          HD1       LYS 116 137.385   7.033  -2.670
  549   1HE   LYS  16          HE2       LYS 116 137.071   9.924  -2.006
  550   2HE   LYS  16          HE1       LYS 116 138.544   9.023  -2.150
  551   1HZ   LYS  16          HZ1       LYS 116 136.793   9.373  -4.487
  552   2HZ   LYS  16          HZ2       LYS 116 138.438   9.000  -4.444
  553   3HZ   LYS  16          HZ3       LYS 116 137.916  10.560  -4.055
  554    H    ASP  17           HN       ASP 117 132.167   8.774  -4.884
  555    HA   ASP  17           HA       ASP 117 132.491   9.462  -7.047
  556   1HB   ASP  17          HB2       ASP 117 135.016   9.091  -5.865
  557   2HB   ASP  17          HB1       ASP 117 135.114   8.474  -7.498
  558    H    GLY  18           HN       GLY 118 131.136   7.054  -6.979
  559   1HA   GLY  18          HA2       GLY 118 130.488   5.388  -8.391
  560   2HA   GLY  18          HA1       GLY 118 131.458   6.177  -9.615
  561    H    GLU  19           HN       GLU 119 133.244   5.120  -6.800
  562    HA   GLU  19           HA       GLU 119 133.914   2.636  -8.189
  563   1HB   GLU  19          HB2       GLU 119 136.121   4.107  -6.849
  564   2HB   GLU  19          HB1       GLU 119 136.164   3.036  -8.234
  565   1HG   GLU  19          HG2       GLU 119 135.966   4.706  -9.694
  566   2HG   GLU  19          HG1       GLU 119 134.746   5.529  -8.734
  567    H    TRP  20           HN       TRP 120 135.056   1.086  -6.830
  568    HA   TRP  20           HA       TRP 120 134.076   1.273  -4.091
  569   1HB   TRP  20          HB2       TRP 120 135.014  -1.142  -5.688
  570   2HB   TRP  20          HB1       TRP 120 134.628  -1.175  -3.972
  571    HD1  TRP  20           HD1      TRP 120 132.919  -1.571  -7.238
  572    HE1  TRP  20           HE1      TRP 120 130.354  -1.457  -6.890
  573    HE3  TRP  20           HE3      TRP 120 132.831   0.220  -2.466
  574    HZ2  TRP  20           HZ2      TRP 120 128.583  -0.703  -4.844
  575    HZ3  TRP  20           HZ3      TRP 120 130.665   0.614  -1.389
  576    HH2  TRP  20           HH2      TRP 120 128.587   0.171  -2.563
  577    H    VAL  21           HN       VAL 121 135.445   1.988  -2.633
  578    HA   VAL  21           HA       VAL 121 138.334   1.553  -3.061
  579    HB   VAL  21           HB       VAL 121 137.156   3.526  -1.122
  580   1HG1  VAL  21          HG11      VAL 121 139.588   4.457  -1.670
  581   2HG1  VAL  21          HG12      VAL 121 139.866   2.744  -1.979
  582   3HG1  VAL  21          HG13      VAL 121 139.279   3.271  -0.402
  583   1HG2  VAL  21          HG21      VAL 121 138.049   4.030  -3.947
  584   2HG2  VAL  21          HG22      VAL 121 137.887   5.290  -2.726
  585   3HG2  VAL  21          HG23      VAL 121 136.471   4.374  -3.236
  586    H    LEU  22           HN       LEU 122 139.538   0.693  -1.586
  587    HA   LEU  22           HA       LEU 122 138.451  -1.200   0.111
  588   1HB   LEU  22          HB2       LEU 122 141.024  -0.200  -0.620
  589   2HB   LEU  22          HB1       LEU 122 140.972  -0.603   1.092
  590    HG   LEU  22           HG       LEU 122 140.642  -2.391  -1.281
  591   1HD1  LEU  22          HD11      LEU 122 142.497  -2.047   0.885
  592   2HD1  LEU  22          HD12      LEU 122 142.660  -2.976  -0.605
  593   3HD1  LEU  22          HD13      LEU 122 141.886  -3.697   0.806
  594   1HD2  LEU  22          HD21      LEU 122 139.967  -4.097   0.553
  595   2HD2  LEU  22          HD22      LEU 122 138.742  -3.117  -0.245
  596   3HD2  LEU  22          HD23      LEU 122 139.319  -2.677   1.365
  597    H    LEU  23           HN       LEU 123 137.568  -1.108   1.970
  598    HA   LEU  23           HA       LEU 123 137.079   1.249   3.380
  599   1HB   LEU  23          HB2       LEU 123 135.654  -0.607   3.664
  600   2HB   LEU  23          HB1       LEU 123 136.964  -1.670   4.087
  601    HG   LEU  23           HG       LEU 123 137.268  -0.449   6.212
  602   1HD1  LEU  23          HD11      LEU 123 135.210   0.882   6.942
  603   2HD1  LEU  23          HD12      LEU 123 134.917   1.102   5.212
  604   3HD1  LEU  23          HD13      LEU 123 136.418   1.686   5.934
  605   1HD2  LEU  23          HD21      LEU 123 134.983  -2.070   5.443
  606   2HD2  LEU  23          HD22      LEU 123 134.734  -1.140   6.921
  607   3HD2  LEU  23          HD23      LEU 123 136.112  -2.226   6.780
  608    H    SER  24           HN       SER 124 139.308  -1.428   4.097
  609    HA   SER  24           HA       SER 124 140.464  -0.615   6.411
  610   1HB   SER  24          HB2       SER 124 141.092  -2.691   5.314
  611   2HB   SER  24          HB1       SER 124 141.873  -1.798   4.009
  612    HG   SER  24           HG       SER 124 143.579  -1.954   5.223
  613    H    THR  25           HN       THR 125 140.838   0.913   3.288
  614    HA   THR  25           HA       THR 125 143.185   2.386   3.910
  615    HB   THR  25           HB       THR 125 140.984   2.865   1.908
  616    HG1  THR  25           HG1      THR 125 143.534   1.698   1.845
  617   1HG2  THR  25          HG21      THR 125 143.079   4.689   2.689
  618   2HG2  THR  25          HG22      THR 125 141.714   4.927   1.598
  619   3HG2  THR  25          HG23      THR 125 143.210   4.213   0.997
  620    H    PHE  26           HN       PHE 126 139.932   2.583   4.824
  621    HA   PHE  26           HA       PHE 126 140.037   5.348   5.747
  622   1HB   PHE  26          HB2       PHE 126 137.835   3.346   5.393
  623   2HB   PHE  26          HB1       PHE 126 137.576   4.868   6.238
  624    HD1  PHE  26           HD1      PHE 126 138.209   3.246   3.030
  625    HD2  PHE  26           HD2      PHE 126 137.632   6.988   4.970
  626    HE1  PHE  26           HE1      PHE 126 137.875   4.312   0.847
  627    HE2  PHE  26           HE2      PHE 126 137.296   8.075   2.786
  628    HZ   PHE  26           HZ       PHE 126 137.420   6.750   0.704
  629    H    LEU  27           HN       LEU 127 140.811   2.348   6.884
  630    HA   LEU  27           HA       LEU 127 140.029   3.075   9.614
  631   1HB   LEU  27          HB2       LEU 127 139.839   0.642   8.123
  632   2HB   LEU  27          HB1       LEU 127 140.882   0.380   9.507
  633    HG   LEU  27           HG       LEU 127 139.187   0.982  11.031
  634   1HD1  LEU  27          HD11      LEU 127 136.842   1.439   9.672
  635   2HD1  LEU  27          HD12      LEU 127 138.036   2.395   8.784
  636   3HD1  LEU  27          HD13      LEU 127 137.822   2.642  10.518
  637   1HD2  LEU  27          HD21      LEU 127 137.211  -0.461   9.837
  638   2HD2  LEU  27          HD22      LEU 127 138.574  -1.123  10.754
  639   3HD2  LEU  27          HD23      LEU 127 138.661  -1.014   8.996
  Start of MODEL    3
    1   1H    GLY   1           HT1      GLY   1 126.791  -4.975 -14.079
    2   2H    GLY   1           HT2      GLY   1 127.519  -6.312 -14.815
    3   3H    GLY   1           HT3      GLY   1 128.154  -4.764 -15.060
    4   1HA   GLY   1          HA1       GLY   1 128.564  -6.601 -12.877
    5   2HA   GLY   1          HA2       GLY   1 129.590  -5.298 -13.454
    6    H    TYR   2           HN       TYR   2 126.295  -5.427 -12.118
    7    HA   TYR   2           HA       TYR   2 127.080  -3.329 -10.213
    8   1HB   TYR   2          HB2       TYR   2 124.470  -3.934 -11.513
    9   2HB   TYR   2          HB1       TYR   2 124.549  -2.960 -10.065
   10    HD1  TYR   2           HD1      TYR   2 123.507  -1.115 -11.239
   11    HD2  TYR   2           HD2      TYR   2 127.220  -2.689 -12.564
   12    HE1  TYR   2           HE1      TYR   2 123.856   0.891 -12.619
   13    HE2  TYR   2           HE2      TYR   2 127.588  -0.692 -13.944
   14    HH   TYR   2           HH       TYR   2 125.142   1.548 -14.624
   15    H    ILE   3           HN       ILE   3 126.259  -3.414  -8.045
   16    HA   ILE   3           HA       ILE   3 125.961  -6.153  -7.048
   17    HB   ILE   3           HB       ILE   3 125.889  -5.013  -4.792
   18   1HG1  ILE   3          HG12      ILE   3 126.797  -2.681  -6.470
   19   2HG1  ILE   3          HG11      ILE   3 125.376  -2.783  -5.434
   20   1HG2  ILE   3          HG21      ILE   3 128.449  -4.450  -4.971
   21   2HG2  ILE   3          HG22      ILE   3 128.255  -5.205  -6.548
   22   3HG2  ILE   3          HG23      ILE   3 127.851  -6.092  -5.100
   23   1HD1  ILE   3          HD11      ILE   3 128.250  -2.615  -4.645
   24   2HD1  ILE   3          HD12      ILE   3 127.008  -3.151  -3.531
   25   3HD1  ILE   3          HD13      ILE   3 126.926  -1.530  -4.219
   26    HA   PRO   4           HA       PRO   4 121.753  -5.432  -5.993
   27   1HB   PRO   4          HB2       PRO   4 121.432  -7.454  -4.155
   28   2HB   PRO   4          HB1       PRO   4 121.517  -7.740  -5.895
   29   1HG   PRO   4          HG2       PRO   4 123.455  -8.426  -3.850
   30   2HG   PRO   4          HG1       PRO   4 123.446  -8.873  -5.561
   31   1HD   PRO   4          HD2       PRO   4 124.954  -6.748  -4.211
   32   2HD   PRO   4          HD1       PRO   4 125.193  -7.445  -5.822
   33    H    GLU   5           HN       GLU   5 120.397  -4.608  -4.475
   34    HA   GLU   5           HA       GLU   5 121.461  -2.733  -2.762
   35   1HB   GLU   5          HB2       GLU   5 119.300  -2.344  -3.577
   36   2HB   GLU   5          HB1       GLU   5 118.715  -3.916  -3.061
   37   1HG   GLU   5          HG2       GLU   5 117.830  -2.886  -1.331
   38   2HG   GLU   5          HG1       GLU   5 119.450  -2.693  -0.698
   39    H    ALA   6           HN       ALA   6 121.722  -2.524  -0.607
   40    HA   ALA   6           HA       ALA   6 122.117  -4.946   0.932
   41   1HB   ALA   6          HB1       ALA   6 123.559  -2.703   0.817
   42   2HB   ALA   6          HB2       ALA   6 123.527  -3.728   2.253
   43   3HB   ALA   6          HB3       ALA   6 122.516  -2.284   2.174
   44    HA   PRO   7           HA       PRO   7 118.572  -4.998   3.559
   45   1HB   PRO   7          HB2       PRO   7 120.283  -4.779   5.953
   46   2HB   PRO   7          HB1       PRO   7 119.186  -6.072   5.465
   47   1HG   PRO   7          HG2       PRO   7 121.849  -6.364   5.347
   48   2HG   PRO   7          HG1       PRO   7 120.772  -7.101   4.145
   49   1HD   PRO   7          HD2       PRO   7 122.483  -4.666   3.919
   50   2HD   PRO   7          HD1       PRO   7 122.125  -5.909   2.708
   51    H    ARG   8           HN       ARG   8 117.203  -3.744   4.859
   52    HA   ARG   8           HA       ARG   8 118.118  -0.993   5.358
   53   1HB   ARG   8          HB2       ARG   8 115.665  -2.111   4.295
   54   2HB   ARG   8          HB1       ARG   8 115.422  -0.820   5.445
   55   1HG   ARG   8          HG2       ARG   8 116.133   0.749   4.035
   56   2HG   ARG   8          HG1       ARG   8 117.475  -0.239   3.461
   57   1HD   ARG   8          HD2       ARG   8 115.837   0.304   1.704
   58   2HD   ARG   8          HD1       ARG   8 116.035  -1.426   1.969
   59    HE   ARG   8           HE       ARG   8 113.822  -1.526   2.502
   60   1HH1  ARG   8          HH11      ARG   8 114.897   1.763   2.970
   61   2HH1  ARG   8          HH12      ARG   8 113.326   2.346   3.402
   62   1HH2  ARG   8          HH21      ARG   8 111.755  -0.758   3.067
   63   2HH2  ARG   8          HH22      ARG   8 111.541   0.916   3.456
   64    H    ASP   9           HN       ASP   9 118.944  -2.026   7.355
   65    HA   ASP   9           HA       ASP   9 116.826  -2.174   9.402
   66   1HB   ASP   9          HB2       ASP   9 118.433  -3.455  10.766
   67   2HB   ASP   9          HB1       ASP   9 118.078  -4.259   9.241
   68    H    GLY  10           HN       GLY  10 118.580   0.120   8.210
   69   1HA   GLY  10          HA2       GLY  10 119.185   2.163   9.143
   70   2HA   GLY  10          HA1       GLY  10 118.865   1.495  10.734
   71    H    GLN  11           HN       GLN  11 120.891  -0.423   8.788
   72    HA   GLN  11           HA       GLN  11 123.222   0.578  10.266
   73   1HB   GLN  11          HB2       GLN  11 122.148  -2.063  10.000
   74   2HB   GLN  11          HB1       GLN  11 123.750  -2.025   9.334
   75   1HG   GLN  11          HG2       GLN  11 124.204  -2.540  11.530
   76   2HG   GLN  11          HG1       GLN  11 124.324  -0.779  11.569
   77   1HE2  GLN  11          HE21      GLN  11 121.956  -3.378  11.889
   78   2HE2  GLN  11          HE22      GLN  11 121.162  -2.672  13.219
   79    H    ALA  12           HN       ALA  12 125.226   0.599   9.247
   80    HA   ALA  12           HA       ALA  12 125.062   1.032   6.378
   81   1HB   ALA  12          HB1       ALA  12 126.268   2.453   8.327
   82   2HB   ALA  12          HB2       ALA  12 126.750   2.501   6.632
   83   3HB   ALA  12          HB3       ALA  12 127.614   1.464   7.771
   84    H    TYR  13           HN       TYR  13 126.001  -0.096   4.918
   85    HA   TYR  13           HA       TYR  13 127.473  -2.482   5.786
   86   1HB   TYR  13          HB2       TYR  13 125.545  -2.105   3.545
   87   2HB   TYR  13          HB1       TYR  13 126.664  -3.403   3.574
   88    HD1  TYR  13           HD1      TYR  13 123.528  -2.325   4.709
   89    HD2  TYR  13           HD2      TYR  13 126.749  -4.856   5.625
   90    HE1  TYR  13           HE1      TYR  13 122.075  -3.578   6.263
   91    HE2  TYR  13           HE2      TYR  13 125.362  -6.114   7.180
   92    HH   TYR  13           HH       TYR  13 122.560  -6.468   7.273
   93    H    VAL  14           HN       VAL  14 129.060  -3.188   4.549
   94    HA   VAL  14           HA       VAL  14 130.412  -1.286   2.749
   95    HB   VAL  14           HB       VAL  14 131.794  -3.525   4.182
   96   1HG1  VAL  14          HG11      VAL  14 133.298  -2.157   2.943
   97   2HG1  VAL  14          HG12      VAL  14 133.515  -1.707   4.635
   98   3HG1  VAL  14          HG13      VAL  14 132.565  -0.677   3.564
   99   1HG2  VAL  14          HG21      VAL  14 130.375  -2.772   5.916
  100   2HG2  VAL  14          HG22      VAL  14 130.711  -1.086   5.549
  101   3HG2  VAL  14          HG23      VAL  14 131.971  -2.110   6.236
  102    H    ARG  15           HN       ARG  15 131.369  -2.346   0.840
  103    HA   ARG  15           HA       ARG  15 129.881  -4.813   0.277
  104   1HB   ARG  15          HB2       ARG  15 129.984  -2.460  -1.089
  105   2HB   ARG  15          HB1       ARG  15 131.202  -3.347  -1.932
  106   1HG   ARG  15          HG2       ARG  15 128.369  -3.411  -2.188
  107   2HG   ARG  15          HG1       ARG  15 129.572  -4.120  -3.237
  108   1HD   ARG  15          HD2       ARG  15 129.415  -5.854  -1.099
  109   2HD   ARG  15          HD1       ARG  15 127.770  -5.300  -1.317
  110    HE   ARG  15           HE       ARG  15 129.311  -6.473  -3.541
  111   1HH1  ARG  15          HH11      ARG  15 126.437  -6.317  -1.558
  112   2HH1  ARG  15          HH12      ARG  15 125.576  -7.495  -2.483
  113   1HH2  ARG  15          HH21      ARG  15 128.132  -8.072  -4.752
  114   2HH2  ARG  15          HH22      ARG  15 126.525  -8.478  -4.271
  115    H    LYS  16           HN       LYS  16 130.964  -6.491   0.708
  116    HA   LYS  16           HA       LYS  16 133.700  -6.829  -0.250
  117   1HB   LYS  16          HB2       LYS  16 134.384  -6.563   1.874
  118   2HB   LYS  16          HB1       LYS  16 132.777  -6.755   2.504
  119   1HG   LYS  16          HG2       LYS  16 133.129  -9.263   2.198
  120   2HG   LYS  16          HG1       LYS  16 134.837  -8.859   1.959
  121   1HD   LYS  16          HD2       LYS  16 134.229  -7.380   4.156
  122   2HD   LYS  16          HD1       LYS  16 133.216  -8.801   4.401
  123   1HE   LYS  16          HE2       LYS  16 135.122 -10.220   4.314
  124   2HE   LYS  16          HE1       LYS  16 136.162  -8.888   3.844
  125   1HZ   LYS  16          HZ1       LYS  16 135.568  -9.767   6.410
  126   2HZ   LYS  16          HZ2       LYS  16 134.845  -8.247   6.243
  127   3HZ   LYS  16          HZ3       LYS  16 136.504  -8.429   5.967
  128    H    ASP  17           HN       ASP  17 133.890  -8.690  -1.394
  129    HA   ASP  17           HA       ASP  17 133.405 -10.736  -2.242
  130   1HB   ASP  17          HB2       ASP  17 133.514 -10.909   0.567
  131   2HB   ASP  17          HB1       ASP  17 132.174 -11.931   0.068
  132    H    GLY  18           HN       GLY  18 131.473  -8.919  -2.894
  133   1HA   GLY  18          HA2       GLY  18 129.385  -8.819  -3.782
  134   2HA   GLY  18          HA1       GLY  18 129.357 -10.565  -3.674
  135    H    GLU  19           HN       GLU  19 129.763  -9.001  -0.609
  136    HA   GLU  19           HA       GLU  19 126.872  -9.170  -0.158
  137   1HB   GLU  19          HB2       GLU  19 129.101 -10.393   1.415
  138   2HB   GLU  19          HB1       GLU  19 127.576 -10.011   2.168
  139   1HG   GLU  19          HG2       GLU  19 126.587 -11.385   0.173
  140   2HG   GLU  19          HG1       GLU  19 128.209 -12.073   0.128
  141    H    TRP  20           HN       TRP  20 126.147  -8.092   1.750
  142    HA   TRP  20           HA       TRP  20 127.593  -5.588   2.115
  143   1HB   TRP  20          HB2       TRP  20 124.715  -6.328   2.747
  144   2HB   TRP  20          HB1       TRP  20 125.464  -4.810   3.183
  145    HD1  TRP  20           HD1      TRP  20 123.549  -6.234   0.394
  146    HE1  TRP  20           HE1      TRP  20 123.823  -4.753  -1.712
  147    HE3  TRP  20           HE3      TRP  20 127.495  -3.396   1.917
  148    HZ2  TRP  20           HZ2      TRP  20 125.504  -2.675  -2.566
  149    HZ3  TRP  20           HZ3      TRP  20 128.373  -1.689   0.406
  150    HH2  TRP  20           HH2      TRP  20 127.409  -1.352  -1.801
  151    H    VAL  21           HN       VAL  21 128.899  -5.484   3.786
  152    HA   VAL  21           HA       VAL  21 128.181  -6.965   6.237
  153    HB   VAL  21           HB       VAL  21 130.941  -5.950   5.634
  154   1HG1  VAL  21          HG11      VAL  21 129.714  -7.759   7.664
  155   2HG1  VAL  21          HG12      VAL  21 130.784  -6.376   7.893
  156   3HG1  VAL  21          HG13      VAL  21 131.427  -7.895   7.268
  157   1HG2  VAL  21          HG21      VAL  21 130.928  -8.767   5.405
  158   2HG2  VAL  21          HG22      VAL  21 131.335  -7.576   4.170
  159   3HG2  VAL  21          HG23      VAL  21 129.675  -8.148   4.328
  160    H    LEU  22           HN       LEU  22 128.107  -5.991   8.068
  161    HA   LEU  22           HA       LEU  22 127.471  -3.310   8.225
  162   1HB   LEU  22          HB2       LEU  22 127.793  -5.538   9.967
  163   2HB   LEU  22          HB1       LEU  22 128.352  -4.057  10.735
  164    HG   LEU  22           HG       LEU  22 125.612  -4.739   9.734
  165   1HD1  LEU  22          HD11      LEU  22 124.979  -4.547  11.876
  166   2HD1  LEU  22          HD12      LEU  22 126.112  -3.236  12.200
  167   3HD1  LEU  22          HD13      LEU  22 126.681  -4.902  12.168
  168   1HD2  LEU  22          HD21      LEU  22 125.539  -2.685   8.801
  169   2HD2  LEU  22          HD22      LEU  22 126.899  -2.085   9.749
  170   3HD2  LEU  22          HD23      LEU  22 125.305  -2.172  10.472
  171    H    LEU  23           HN       LEU  23 128.555  -1.525   8.286
  172    HA   LEU  23           HA       LEU  23 131.323  -1.346   7.930
  173   1HB   LEU  23          HB2       LEU  23 129.802   0.407   7.283
  174   2HB   LEU  23          HB1       LEU  23 129.293   0.645   8.930
  175    HG   LEU  23           HG       LEU  23 131.223   1.794   9.531
  176   1HD1  LEU  23          HD11      LEU  23 132.607   0.826   7.043
  177   2HD1  LEU  23          HD12      LEU  23 132.836   0.151   8.655
  178   3HD1  LEU  23          HD13      LEU  23 133.290   1.824   8.329
  179   1HD2  LEU  23          HD21      LEU  23 131.496   3.544   7.953
  180   2HD2  LEU  23          HD22      LEU  23 129.821   3.015   7.872
  181   3HD2  LEU  23          HD23      LEU  23 130.972   2.520   6.633
  182    H    SER  24           HN       SER  24 129.315  -0.956  10.829
  183    HA   SER  24           HA       SER  24 131.360  -0.110  12.554
  184   1HB   SER  24          HB2       SER  24 129.023  -1.771  13.470
  185   2HB   SER  24          HB1       SER  24 129.840  -0.456  14.314
  186    HG   SER  24           HG       SER  24 127.922  -0.365  12.295
  187    H    THR  25           HN       THR  25 130.724  -3.221  11.210
  188    HA   THR  25           HA       THR  25 131.983  -4.731  13.277
  189    HB   THR  25           HB       THR  25 131.422  -5.311  10.374
  190    HG1  THR  25           HG1      THR  25 130.391  -6.453  12.751
  191   1HG2  THR  25          HG21      THR  25 133.299  -6.699  12.010
  192   2HG2  THR  25          HG22      THR  25 132.794  -7.028  10.353
  193   3HG2  THR  25          HG23      THR  25 131.900  -7.727  11.703
  194    H    PHE  26           HN       PHE  26 132.986  -2.623  10.818
  195    HA   PHE  26           HA       PHE  26 135.750  -3.557  10.732
  196   1HB   PHE  26          HB2       PHE  26 134.167  -1.565   9.108
  197   2HB   PHE  26          HB1       PHE  26 135.908  -1.736   8.937
  198    HD1  PHE  26           HD1      PHE  26 132.650  -3.286   8.404
  199    HD2  PHE  26           HD2      PHE  26 136.847  -3.798   7.938
  200    HE1  PHE  26           HE1      PHE  26 132.240  -5.173   6.905
  201    HE2  PHE  26           HE2      PHE  26 136.453  -5.705   6.433
  202    HZ   PHE  26           HZ       PHE  26 134.151  -6.422   5.907
  203    H    LEU  27           HN       LEU  27 134.031  -1.674  12.724
  204    HA   LEU  27           HA       LEU  27 136.128   0.352  13.043
  205   1HB   LEU  27          HB2       LEU  27 133.329   0.193  14.132
  206   2HB   LEU  27          HB1       LEU  27 134.472   1.455  14.543
  207    HG   LEU  27           HG       LEU  27 132.659   1.369  12.374
  208   1HD1  LEU  27          HD11      LEU  27 134.790   3.261  13.264
  209   2HD1  LEU  27          HD12      LEU  27 133.045   3.368  13.510
  210   3HD1  LEU  27          HD13      LEU  27 133.732   3.589  11.892
  211   1HD2  LEU  27          HD21      LEU  27 134.175   2.005  10.540
  212   2HD2  LEU  27          HD22      LEU  27 134.236   0.288  10.959
  213   3HD2  LEU  27          HD23      LEU  27 135.527   1.372  11.489
  214   1H    GLY   1           HT1      GLY  51 115.496  -5.745  -4.442
  215   2H    GLY   1           HT2      GLY  51 116.228  -4.317  -4.976
  216   3H    GLY   1           HT3      GLY  51 116.881  -5.162  -3.664
  217   1HA   GLY   1          HA1       GLY  51 117.412  -7.036  -5.103
  218   2HA   GLY   1          HA2       GLY  51 116.753  -6.143  -6.464
  219    H    TYR   2           HN       TYR  52 117.765  -3.833  -6.645
  220    HA   TYR   2           HA       TYR  52 120.642  -4.014  -6.110
  221   1HB   TYR   2          HB2       TYR  52 119.258  -3.629  -8.680
  222   2HB   TYR   2          HB1       TYR  52 120.690  -2.658  -8.400
  223    HD1  TYR   2           HD1      TYR  52 122.437  -3.515  -9.633
  224    HD2  TYR   2           HD2      TYR  52 119.870  -6.217  -7.581
  225    HE1  TYR   2           HE1      TYR  52 123.846  -5.394 -10.350
  226    HE2  TYR   2           HE2      TYR  52 121.284  -8.101  -8.280
  227    HH   TYR   2           HH       TYR  52 124.364  -7.634  -9.779
  228    H    ILE   3           HN       ILE  53 121.692  -2.105  -5.615
  229    HA   ILE   3           HA       ILE  53 119.968   0.095  -4.794
  230    HB   ILE   3           HB       ILE  53 122.160   1.093  -3.950
  231   1HG1  ILE   3          HG12      ILE  53 123.048  -1.730  -4.508
  232   2HG1  ILE   3          HG11      ILE  53 123.739  -0.229  -5.089
  233   1HG2  ILE   3          HG21      ILE  53 120.966   0.513  -2.189
  234   2HG2  ILE   3          HG22      ILE  53 122.110  -0.826  -2.068
  235   3HG2  ILE   3          HG23      ILE  53 120.556  -1.062  -2.853
  236   1HD1  ILE   3          HD11      ILE  53 125.207  -0.937  -3.446
  237   2HD1  ILE   3          HD12      ILE  53 123.900  -1.407  -2.358
  238   3HD1  ILE   3          HD13      ILE  53 124.232   0.300  -2.655
  239    HA   PRO   4           HA       PRO  54 121.365   2.781  -8.010
  240   1HB   PRO   4          HB2       PRO  54 120.615   5.157  -7.003
  241   2HB   PRO   4          HB1       PRO  54 119.405   3.942  -7.434
  242   1HG   PRO   4          HG2       PRO  54 120.381   4.770  -4.755
  243   2HG   PRO   4          HG1       PRO  54 118.795   4.144  -5.231
  244   1HD   PRO   4          HD2       PRO  54 120.933   2.687  -4.032
  245   2HD   PRO   4          HD1       PRO  54 119.409   2.035  -4.672
  246    H    GLU   5           HN       GLU  55 122.939   4.173  -8.625
  247    HA   GLU   5           HA       GLU  55 125.356   3.928  -7.345
  248   1HB   GLU   5          HB2       GLU  55 125.311   4.315  -9.680
  249   2HB   GLU   5          HB1       GLU  55 124.397   5.803  -9.495
  250   1HG   GLU   5          HG2       GLU  55 126.320   6.846  -9.701
  251   2HG   GLU   5          HG1       GLU  55 126.698   6.305  -8.075
  252    H    ALA   6           HN       ALA  56 126.632   5.237  -6.111
  253    HA   ALA   6           HA       ALA  56 125.289   7.175  -4.442
  254   1HB   ALA   6          HB1       ALA  56 127.248   5.331  -3.982
  255   2HB   ALA   6          HB2       ALA  56 126.830   6.665  -2.905
  256   3HB   ALA   6          HB3       ALA  56 128.163   6.836  -4.044
  257    HA   PRO   7           HA       PRO  57 126.766  11.027  -6.013
  258   1HB   PRO   7          HB2       PRO  57 128.027  11.707  -3.440
  259   2HB   PRO   7          HB1       PRO  57 126.684  12.490  -4.275
  260   1HG   PRO   7          HG2       PRO  57 126.327  11.029  -2.040
  261   2HG   PRO   7          HG1       PRO  57 125.112  11.103  -3.330
  262   1HD   PRO   7          HD2       PRO  57 127.064   8.939  -2.687
  263   2HD   PRO   7          HD1       PRO  57 125.391   8.816  -3.259
  264    H    ARG   8           HN       ARG  58 128.574  12.099  -6.822
  265    HA   ARG   8           HA       ARG  58 131.143  10.739  -6.396
  266   1HB   ARG   8          HB2       ARG  58 129.854  11.896  -8.774
  267   2HB   ARG   8          HB1       ARG  58 131.601  11.905  -8.696
  268   1HG   ARG   8          HG2       ARG  58 131.572   9.832  -9.499
  269   2HG   ARG   8          HG1       ARG  58 130.857   9.320  -7.972
  270   1HD   ARG   8          HD2       ARG  58 128.711   9.408  -8.789
  271   2HD   ARG   8          HD1       ARG  58 129.162  10.405 -10.168
  272    HE   ARG   8           HE       ARG  58 129.098   7.592 -10.088
  273   1HH1  ARG   8          HH11      ARG  58 131.065  10.207 -11.310
  274   2HH1  ARG   8          HH12      ARG  58 131.728   9.265 -12.603
  275   1HH2  ARG   8          HH21      ARG  58 129.967   6.359 -11.789
  276   2HH2  ARG   8          HH22      ARG  58 131.103   7.083 -12.877
  277    H    ASP   9           HN       ASP  59 130.941  12.411  -4.507
  278    HA   ASP   9           HA       ASP  59 132.099  14.990  -5.351
  279   1HB   ASP   9          HB2       ASP  59 131.605  15.640  -2.936
  280   2HB   ASP   9          HB1       ASP  59 130.219  15.412  -3.994
  281    H    GLY  10           HN       GLY  60 133.354  12.202  -4.830
  282   1HA   GLY  10          HA2       GLY  60 135.529  11.617  -4.270
  283   2HA   GLY  10          HA1       GLY  60 135.787  13.252  -3.686
  284    H    GLN  11           HN       GLN  61 133.026  11.705  -2.395
  285    HA   GLN  11           HA       GLN  61 134.582  11.080   0.015
  286   1HB   GLN  11          HB2       GLN  61 132.300  12.693  -0.257
  287   2HB   GLN  11          HB1       GLN  61 131.816  11.280   0.641
  288   1HG   GLN  11          HG2       GLN  61 133.053  11.870   2.437
  289   2HG   GLN  11          HG1       GLN  61 134.354  12.525   1.465
  290   1HE2  GLN  11          HE21      GLN  61 133.190  14.399   0.045
  291   2HE2  GLN  11          HE22      GLN  61 132.539  15.652   1.033
  292    H    ALA  12           HN       ALA  62 133.958   9.321   1.208
  293    HA   ALA  12           HA       ALA  62 133.015   7.129  -0.442
  294   1HB   ALA  12          HB1       ALA  62 135.113   7.383   1.321
  295   2HB   ALA  12          HB2       ALA  62 134.507   5.872   0.650
  296   3HB   ALA  12          HB3       ALA  62 133.942   6.431   2.227
  297    H    TYR  13           HN       TYR  63 131.279   5.974  -0.116
  298    HA   TYR  13           HA       TYR  63 129.534   6.738   2.127
  299   1HB   TYR  13          HB2       TYR  63 128.873   6.002  -0.686
  300   2HB   TYR  13          HB1       TYR  63 127.699   5.972   0.557
  301    HD1  TYR  13           HD1      TYR  63 129.300   7.993  -1.794
  302    HD2  TYR  13           HD2      TYR  63 127.440   8.066   1.968
  303    HE1  TYR  13           HE1      TYR  63 128.996  10.429  -2.019
  304    HE2  TYR  13           HE2      TYR  63 127.142  10.474   1.809
  305    HH   TYR  13           HH       TYR  63 128.499  12.426   0.339
  306    H    VAL  14           HN       VAL  64 128.237   5.232   2.962
  307    HA   VAL  14           HA       VAL  64 129.007   2.394   2.717
  308    HB   VAL  14           HB       VAL  64 127.577   3.534   5.069
  309   1HG1  VAL  14          HG11      VAL  64 128.885   2.021   6.374
  310   2HG1  VAL  14          HG12      VAL  64 129.976   1.712   5.022
  311   3HG1  VAL  14          HG13      VAL  64 128.310   1.142   4.968
  312   1HG2  VAL  14          HG21      VAL  64 130.514   4.032   4.697
  313   2HG2  VAL  14          HG22      VAL  64 129.481   4.606   6.003
  314   3HG2  VAL  14          HG23      VAL  64 129.270   5.231   4.382
  315    H    ARG  15           HN       ARG  65 127.166   0.913   2.862
  316    HA   ARG  15           HA       ARG  65 124.783   2.285   1.851
  317   1HB   ARG  15          HB2       ARG  65 126.249   0.189   0.834
  318   2HB   ARG  15          HB1       ARG  65 124.933  -0.630   1.577
  319   1HG   ARG  15          HG2       ARG  65 124.988   1.087  -0.796
  320   2HG   ARG  15          HG1       ARG  65 124.103  -0.393  -0.526
  321   1HD   ARG  15          HD2       ARG  65 123.214   1.877   1.084
  322   2HD   ARG  15          HD1       ARG  65 123.076   2.085  -0.658
  323    HE   ARG  15           HE       ARG  65 121.605   0.242  -0.730
  324   1HH1  ARG  15          HH11      ARG  65 122.384   1.199   2.490
  325   2HH1  ARG  15          HH12      ARG  65 121.243   0.140   3.229
  326   1HH2  ARG  15          HH21      ARG  65 120.097  -1.175   0.226
  327   2HH2  ARG  15          HH22      ARG  65 119.931  -1.191   1.945
  328    H    LYS  16           HN       LYS  66 123.456   2.734   3.335
  329    HA   LYS  16           HA       LYS  66 122.587   0.707   5.244
  330   1HB   LYS  16          HB2       LYS  66 123.755   1.811   6.810
  331   2HB   LYS  16          HB1       LYS  66 123.910   3.238   5.836
  332   1HG   LYS  16          HG2       LYS  66 121.531   3.797   6.500
  333   2HG   LYS  16          HG1       LYS  66 121.643   2.458   7.648
  334   1HD   LYS  16          HD2       LYS  66 123.929   4.262   7.764
  335   2HD   LYS  16          HD1       LYS  66 122.400   5.053   8.142
  336   1HE   LYS  16          HE2       LYS  66 122.196   3.967  10.082
  337   2HE   LYS  16          HE1       LYS  66 122.784   2.448   9.416
  338   1HZ   LYS  16          HZ1       LYS  66 124.646   4.677   9.892
  339   2HZ   LYS  16          HZ2       LYS  66 124.961   3.016   9.854
  340   3HZ   LYS  16          HZ3       LYS  66 124.167   3.696  11.183
  341    H    ASP  17           HN       ASP  67 120.400   0.496   5.187
  342    HA   ASP  17           HA       ASP  67 118.197   1.015   4.804
  343   1HB   ASP  17          HB2       ASP  67 119.383   3.116   6.329
  344   2HB   ASP  17          HB1       ASP  67 118.176   3.790   5.257
  345    H    GLY  18           HN       GLY  68 119.575   0.904   2.450
  346   1HA   GLY  18          HA2       GLY  68 119.375   1.435   0.246
  347   2HA   GLY  18          HA1       GLY  68 117.885   2.243   0.682
  348    H    GLU  19           HN       GLU  69 120.700   3.566   2.272
  349    HA   GLU  19           HA       GLU  69 120.854   5.592   0.186
  350   1HB   GLU  19          HB2       GLU  69 121.304   6.684   2.812
  351   2HB   GLU  19          HB1       GLU  69 120.163   7.180   1.582
  352   1HG   GLU  19          HG2       GLU  69 118.505   5.689   2.390
  353   2HG   GLU  19          HG1       GLU  69 119.658   4.915   3.475
  354    H    TRP  20           HN       TRP  70 122.769   6.935   0.312
  355    HA   TRP  20           HA       TRP  70 125.066   5.342   1.105
  356   1HB   TRP  20          HB2       TRP  70 124.824   7.680  -0.804
  357   2HB   TRP  20          HB1       TRP  70 126.344   6.947  -0.341
  358    HD1  TRP  20           HD1      TRP  70 123.813   6.578  -2.985
  359    HE1  TRP  20           HE1      TRP  70 124.030   4.247  -4.119
  360    HE3  TRP  20           HE3      TRP  70 126.862   4.292   0.409
  361    HZ2  TRP  20           HZ2      TRP  70 125.340   1.838  -3.613
  362    HZ3  TRP  20           HZ3      TRP  70 127.553   1.996  -0.001
  363    HH2  TRP  20           HH2      TRP  70 126.760   0.779  -1.953
  364    H    VAL  21           HN       VAL  71 125.934   5.719   2.977
  365    HA   VAL  21           HA       VAL  71 125.835   8.451   4.103
  366    HB   VAL  21           HB       VAL  71 126.399   5.975   5.716
  367   1HG1  VAL  21          HG11      VAL  71 126.856   8.488   6.380
  368   2HG1  VAL  21          HG12      VAL  71 126.277   7.312   7.554
  369   3HG1  VAL  21          HG13      VAL  71 125.146   8.436   6.803
  370   1HG2  VAL  21          HG21      VAL  71 124.137   5.884   6.488
  371   2HG2  VAL  21          HG22      VAL  71 124.122   5.763   4.729
  372   3HG2  VAL  21          HG23      VAL  71 123.694   7.284   5.512
  373    H    LEU  22           HN       LEU  72 127.566   9.367   4.857
  374    HA   LEU  22           HA       LEU  72 130.012   8.848   3.706
  375   1HB   LEU  22          HB2       LEU  72 128.864  10.609   5.679
  376   2HB   LEU  22          HB1       LEU  72 130.582  10.329   5.915
  377    HG   LEU  22           HG       LEU  72 129.167  11.773   3.743
  378   1HD1  LEU  22          HD11      LEU  72 130.583  12.779   5.642
  379   2HD1  LEU  22          HD12      LEU  72 130.789  13.386   3.997
  380   3HD1  LEU  22          HD13      LEU  72 131.949  12.242   4.670
  381   1HD2  LEU  22          HD21      LEU  72 131.684  10.201   3.285
  382   2HD2  LEU  22          HD22      LEU  72 131.193  11.588   2.316
  383   3HD2  LEU  22          HD23      LEU  72 130.179  10.156   2.361
  384    H    LEU  23           HN       LEU  73 131.509   7.442   4.063
  385    HA   LEU  23           HA       LEU  73 131.494   5.444   6.024
  386   1HB   LEU  23          HB2       LEU  73 132.698   5.287   3.927
  387   2HB   LEU  23          HB1       LEU  73 133.713   6.632   4.358
  388    HG   LEU  23           HG       LEU  73 135.022   5.383   5.802
  389   1HD1  LEU  23          HD11      LEU  73 133.084   4.392   7.054
  390   2HD1  LEU  23          HD12      LEU  73 134.481   3.335   6.831
  391   3HD1  LEU  23          HD13      LEU  73 133.042   3.124   5.829
  392   1HD2  LEU  23          HD21      LEU  73 134.189   3.319   3.788
  393   2HD2  LEU  23          HD22      LEU  73 135.766   3.519   4.548
  394   3HD2  LEU  23          HD23      LEU  73 135.181   4.725   3.402
  395    H    SER  24           HN       SER  74 133.249   8.501   5.842
  396    HA   SER  24           HA       SER  74 134.784   8.159   8.196
  397   1HB   SER  24          HB2       SER  74 134.278  10.278   6.271
  398   2HB   SER  24          HB1       SER  74 134.380  10.908   7.915
  399    HG   SER  24           HG       SER  74 136.447  10.843   7.235
  400    H    THR  25           HN       THR  75 131.416   8.895   7.769
  401    HA   THR  25           HA       THR  75 131.074  10.288  10.224
  402    HB   THR  25           HB       THR  75 129.185   8.794   8.429
  403    HG1  THR  25           HG1      THR  75 129.158  11.490   9.272
  404   1HG2  THR  25          HG21      THR  75 128.378   8.448  10.737
  405   2HG2  THR  25          HG22      THR  75 127.303   9.434   9.748
  406   3HG2  THR  25          HG23      THR  75 128.345  10.199  10.948
  407    H    PHE  26           HN       PHE  76 131.690   7.078   9.318
  408    HA   PHE  26           HA       PHE  76 130.788   5.885  11.810
  409   1HB   PHE  26          HB2       PHE  76 131.871   4.722   9.261
  410   2HB   PHE  26          HB1       PHE  76 131.489   3.754  10.671
  411    HD1  PHE  26           HD1      PHE  76 130.076   5.891   8.036
  412    HD2  PHE  26           HD2      PHE  76 129.213   3.277  11.281
  413    HE1  PHE  26           HE1      PHE  76 127.720   5.825   7.345
  414    HE2  PHE  26           HE2      PHE  76 126.850   3.202  10.598
  415    HZ   PHE  26           HZ       PHE  76 126.086   4.477   8.635
  416    H    LEU  27           HN       LEU  77 133.661   7.192  10.484
  417    HA   LEU  27           HA       LEU  77 135.263   5.593  12.338
  418   1HB   LEU  27          HB2       LEU  77 136.475   7.540  10.447
  419   2HB   LEU  27          HB1       LEU  77 137.080   5.982  10.989
  420    HG   LEU  27           HG       LEU  77 134.797   6.340   9.043
  421   1HD1  LEU  27          HD11      LEU  77 137.099   5.156   7.906
  422   2HD1  LEU  27          HD12      LEU  77 137.556   6.705   8.621
  423   3HD1  LEU  27          HD13      LEU  77 136.260   6.632   7.423
  424   1HD2  LEU  27          HD21      LEU  77 136.000   4.030  10.363
  425   2HD2  LEU  27          HD22      LEU  77 135.906   3.894   8.602
  426   3HD2  LEU  27          HD23      LEU  77 134.441   4.192   9.550
  427   1H    GLY   1           HT1      GLY 101 121.868   5.957 -13.690
  428   2H    GLY   1           HT2      GLY 101 122.269   4.314 -13.660
  429   3H    GLY   1           HT3      GLY 101 123.122   5.409 -12.694
  430   1HA   GLY   1          HA1       GLY 101 120.871   5.918 -11.622
  431   2HA   GLY   1          HA2       GLY 101 120.370   4.404 -12.358
  432    H    TYR   2           HN       TYR 102 122.118   2.596 -11.975
  433    HA   TYR   2           HA       TYR 102 122.555   2.522  -9.083
  434   1HB   TYR   2          HB2       TYR 102 122.418   0.309 -11.088
  435   2HB   TYR   2          HB1       TYR 102 122.823   0.066  -9.404
  436    HD1  TYR   2           HD1      TYR 102 120.885  -1.585  -9.686
  437    HD2  TYR   2           HD2      TYR 102 120.362   2.630  -9.768
  438    HE1  TYR   2           HE1      TYR 102 118.501  -1.878  -9.167
  439    HE2  TYR   2           HE2      TYR 102 117.977   2.352  -9.246
  440    HH   TYR   2           HH       TYR 102 116.476   0.750  -8.283
  441    H    ILE   3           HN       ILE 103 124.492   1.428  -8.244
  442    HA   ILE   3           HA       ILE 103 126.886   2.320  -9.660
  443    HB   ILE   3           HB       ILE 103 128.065   1.275  -7.667
  444   1HG1  ILE   3          HG12      ILE 103 125.266   1.286  -6.553
  445   2HG1  ILE   3          HG11      ILE 103 126.262  -0.112  -6.904
  446   1HG2  ILE   3          HG21      ILE 103 127.075   3.789  -7.996
  447   2HG2  ILE   3          HG22      ILE 103 128.156   3.278  -6.713
  448   3HG2  ILE   3          HG23      ILE 103 126.431   3.339  -6.424
  449   1HD1  ILE   3          HD11      ILE 103 126.795   1.983  -4.843
  450   2HD1  ILE   3          HD12      ILE 103 127.899   0.684  -5.255
  451   3HD1  ILE   3          HD13      ILE 103 126.326   0.307  -4.557
  452    HA   PRO   4           HA       PRO 104 127.975  -1.844 -10.714
  453   1HB   PRO   4          HB2       PRO 104 130.566  -1.455 -11.411
  454   2HB   PRO   4          HB1       PRO 104 129.246  -0.781 -12.372
  455   1HG   PRO   4          HG2       PRO 104 131.154   0.594 -10.612
  456   2HG   PRO   4          HG1       PRO 104 130.126   1.262 -11.888
  457   1HD   PRO   4          HD2       PRO 104 129.675   1.245  -9.016
  458   2HD   PRO   4          HD1       PRO 104 128.737   2.059 -10.281
  459    H    GLU   5           HN       GLU 105 128.779  -3.651  -9.940
  460    HA   GLU   5           HA       GLU 105 129.274  -3.899  -7.253
  461   1HB   GLU   5          HB2       GLU 105 128.327  -5.710  -8.445
  462   2HB   GLU   5          HB1       GLU 105 129.695  -5.800  -9.542
  463   1HG   GLU   5          HG2       GLU 105 130.613  -7.330  -8.258
  464   2HG   GLU   5          HG1       GLU 105 130.701  -6.184  -6.929
  465    H    ALA   6           HN       ALA 106 130.916  -4.351  -5.968
  466    HA   ALA   6           HA       ALA 106 133.572  -3.527  -6.812
  467   1HB   ALA   6          HB1       ALA 106 132.204  -3.048  -4.543
  468   2HB   ALA   6          HB2       ALA 106 133.966  -3.042  -4.634
  469   3HB   ALA   6          HB3       ALA 106 133.118  -4.474  -4.049
  470    HA   PRO   7           HA       PRO 107 135.592  -7.427  -7.342
  471   1HB   PRO   7          HB2       PRO 107 137.381  -6.671  -5.090
  472   2HB   PRO   7          HB1       PRO 107 137.788  -7.192  -6.727
  473   1HG   PRO   7          HG2       PRO 107 137.976  -4.622  -5.970
  474   2HG   PRO   7          HG1       PRO 107 137.498  -5.087  -7.614
  475   1HD   PRO   7          HD2       PRO 107 135.856  -3.992  -5.405
  476   2HD   PRO   7          HD1       PRO 107 135.627  -3.861  -7.157
  477    H    ARG   8           HN       ARG 108 135.776  -9.503  -6.444
  478    HA   ARG   8           HA       ARG 108 134.540  -9.843  -3.795
  479   1HB   ARG   8          HB2       ARG 108 134.172 -11.167  -6.339
  480   2HB   ARG   8          HB1       ARG 108 134.418 -12.306  -5.034
  481   1HG   ARG   8          HG2       ARG 108 132.172 -12.116  -4.898
  482   2HG   ARG   8          HG1       ARG 108 132.607 -10.749  -3.876
  483   1HD   ARG   8          HD2       ARG 108 131.762  -9.264  -5.307
  484   2HD   ARG   8          HD1       ARG 108 132.494 -10.059  -6.700
  485    HE   ARG   8           HE       ARG 108 129.814 -10.428  -5.686
  486   1HH1  ARG   8          HH11      ARG 108 132.362 -11.753  -7.675
  487   2HH1  ARG   8          HH12      ARG 108 131.285 -12.717  -8.628
  488   1HH2  ARG   8          HH21      ARG 108 128.399 -11.698  -6.940
  489   2HH2  ARG   8          HH22      ARG 108 129.037 -12.686  -8.212
  490    H    ASP   9           HN       ASP 109 136.868  -9.346  -3.224
  491    HA   ASP   9           HA       ASP 109 138.485 -11.825  -3.148
  492   1HB   ASP   9          HB2       ASP 109 140.407 -10.340  -2.657
  493   2HB   ASP   9          HB1       ASP 109 139.685 -10.019  -4.230
  494    H    GLY  10           HN       GLY 110 136.256 -10.599  -1.294
  495   1HA   GLY  10          HA2       GLY 110 135.835 -10.975   0.963
  496   2HA   GLY  10          HA1       GLY 110 137.486 -11.561   1.135
  497    H    GLN  11           HN       GLN 111 137.252  -8.512  -0.375
  498    HA   GLN  11           HA       GLN 111 138.022  -7.252   2.158
  499   1HB   GLN  11          HB2       GLN 111 138.978  -6.944  -0.543
  500   2HB   GLN  11          HB1       GLN 111 138.534  -5.424   0.120
  501   1HG   GLN  11          HG2       GLN 111 140.702  -7.304   0.927
  502   2HG   GLN  11          HG1       GLN 111 140.791  -5.578   0.597
  503   1HE2  GLN  11          HE21      GLN 111 140.738  -7.906   2.919
  504   2HE2  GLN  11          HE22      GLN 111 140.406  -6.931   4.303
  505    H    ALA  12           HN       ALA 112 137.232  -5.161   2.573
  506    HA   ALA  12           HA       ALA 112 134.514  -4.818   1.568
  507   1HB   ALA  12          HB1       ALA 112 135.624  -4.632   4.143
  508   2HB   ALA  12          HB2       ALA 112 133.969  -4.266   3.653
  509   3HB   ALA  12          HB3       ALA 112 135.185  -2.989   3.678
  510    H    TYR  13           HN       TYR 113 133.873  -3.201   0.449
  511    HA   TYR  13           HA       TYR 113 135.828  -1.108  -0.195
  512   1HB   TYR  13          HB2       TYR 113 133.753  -2.425  -1.867
  513   2HB   TYR  13          HB1       TYR 113 134.433  -0.910  -2.296
  514    HD1  TYR  13           HD1      TYR 113 134.812  -4.350  -2.556
  515    HD2  TYR  13           HD2      TYR 113 136.992  -0.779  -2.340
  516    HE1  TYR  13           HE1      TYR 113 136.776  -5.537  -3.463
  517    HE2  TYR  13           HE2      TYR 113 138.961  -1.889  -3.243
  518    HH   TYR  13           HH       TYR 113 139.389  -5.112  -3.326
  519    H    VAL  14           HN       VAL 114 134.956   0.939  -0.614
  520    HA   VAL  14           HA       VAL 114 132.262   1.332   0.448
  521    HB   VAL  14           HB       VAL 114 133.533   2.272   2.074
  522   1HG1  VAL  14          HG11      VAL 114 135.564   3.490   1.877
  523   2HG1  VAL  14          HG12      VAL 114 135.446   3.479   0.121
  524   3HG1  VAL  14          HG13      VAL 114 135.707   1.975   1.003
  525   1HG2  VAL  14          HG21      VAL 114 133.406   4.673   1.890
  526   2HG2  VAL  14          HG22      VAL 114 131.947   3.878   1.330
  527   3HG2  VAL  14          HG23      VAL 114 133.098   4.519   0.161
  528    H    ARG  15           HN       ARG 115 131.195   3.223  -0.434
  529    HA   ARG  15           HA       ARG 115 131.926   3.331  -3.267
  530   1HB   ARG  15          HB2       ARG 115 129.554   2.702  -1.973
  531   2HB   ARG  15          HB1       ARG 115 129.251   4.289  -2.569
  532   1HG   ARG  15          HG2       ARG 115 129.445   1.755  -3.968
  533   2HG   ARG  15          HG1       ARG 115 128.511   3.181  -4.367
  534   1HD   ARG  15          HD2       ARG 115 131.341   3.587  -4.793
  535   2HD   ARG  15          HD1       ARG 115 130.734   2.166  -5.638
  536    HE   ARG  15           HE       ARG 115 129.613   3.565  -7.076
  537   1HH1  ARG  15          HH11      ARG 115 130.633   5.389  -4.316
  538   2HH1  ARG  15          HH12      ARG 115 129.922   6.871  -4.840
  539   1HH2  ARG  15          HH21      ARG 115 128.590   5.543  -7.744
  540   2HH2  ARG  15          HH22      ARG 115 128.767   6.955  -6.770
  541    H    LYS  16           HN       LYS 116 133.046   4.921  -3.783
  542    HA   LYS  16           HA       LYS 116 132.245   7.640  -3.103
  543   1HB   LYS  16          HB2       LYS 116 134.167   8.204  -2.070
  544   2HB   LYS  16          HB1       LYS 116 134.395   6.481  -1.847
  545   1HG   LYS  16          HG2       LYS 116 135.872   6.354  -3.697
  546   2HG   LYS  16          HG1       LYS 116 135.437   7.979  -4.240
  547   1HD   LYS  16          HD2       LYS 116 136.543   7.678  -1.502
  548   2HD   LYS  16          HD1       LYS 116 137.654   7.521  -2.865
  549   1HE   LYS  16          HE2       LYS 116 135.857   9.815  -2.237
  550   2HE   LYS  16          HE1       LYS 116 137.608   9.799  -2.094
  551   1HZ   LYS  16          HZ1       LYS 116 135.968   9.829  -4.544
  552   2HZ   LYS  16          HZ2       LYS 116 137.551   9.238  -4.580
  553   3HZ   LYS  16          HZ3       LYS 116 137.261  10.835  -4.113
  554    H    ASP  17           HN       ASP 117 132.151   8.874  -4.922
  555    HA   ASP  17           HA       ASP 117 132.387   9.506  -7.097
  556   1HB   ASP  17          HB2       ASP 117 135.034   8.797  -6.084
  557   2HB   ASP  17          HB1       ASP 117 134.931   8.786  -7.842
  558    H    GLY  18           HN       GLY 118 131.035   7.095  -7.020
  559   1HA   GLY  18          HA2       GLY 118 130.394   5.384  -8.391
  560   2HA   GLY  18          HA1       GLY 118 131.295   6.194  -9.646
  561    H    GLU  19           HN       GLU 119 133.225   5.193  -6.923
  562    HA   GLU  19           HA       GLU 119 133.890   2.727  -8.333
  563   1HB   GLU  19          HB2       GLU 119 136.292   3.671  -7.235
  564   2HB   GLU  19          HB1       GLU 119 135.858   3.570  -8.929
  565   1HG   GLU  19          HG2       GLU 119 135.261   5.804  -9.056
  566   2HG   GLU  19          HG1       GLU 119 135.085   5.951  -7.310
  567    H    TRP  20           HN       TRP 120 135.145   1.215  -6.996
  568    HA   TRP  20           HA       TRP 120 134.211   1.384  -4.251
  569   1HB   TRP  20          HB2       TRP 120 135.191  -1.006  -5.840
  570   2HB   TRP  20          HB1       TRP 120 134.827  -1.048  -4.126
  571    HD1  TRP  20           HD1      TRP 120 133.156  -1.548  -7.373
  572    HE1  TRP  20           HE1      TRP 120 130.588  -1.556  -7.042
  573    HE3  TRP  20           HE3      TRP 120 132.921   0.282  -2.614
  574    HZ2  TRP  20           HZ2      TRP 120 128.777  -0.892  -5.054
  575    HZ3  TRP  20           HZ3      TRP 120 130.733   0.544  -1.571
  576    HH2  TRP  20           HH2      TRP 120 128.703  -0.006  -2.797
  577    H    VAL  21           HN       VAL 121 135.519   1.862  -2.697
  578    HA   VAL  21           HA       VAL 121 138.426   1.489  -3.074
  579    HB   VAL  21           HB       VAL 121 137.245   3.502  -1.186
  580   1HG1  VAL  21          HG11      VAL 121 139.977   3.456  -2.419
  581   2HG1  VAL  21          HG12      VAL 121 139.586   2.598  -0.929
  582   3HG1  VAL  21          HG13      VAL 121 139.425   4.353  -1.004
  583   1HG2  VAL  21          HG21      VAL 121 137.589   5.286  -2.714
  584   2HG2  VAL  21          HG22      VAL 121 136.628   4.077  -3.565
  585   3HG2  VAL  21          HG23      VAL 121 138.355   4.219  -3.890
  586    H    LEU  22           HN       LEU 122 139.516   0.535  -1.569
  587    HA   LEU  22           HA       LEU 122 138.264  -1.240   0.144
  588   1HB   LEU  22          HB2       LEU 122 140.912  -0.479  -0.545
  589   2HB   LEU  22          HB1       LEU 122 140.800  -0.745   1.193
  590    HG   LEU  22           HG       LEU 122 140.314  -2.685  -1.045
  591   1HD1  LEU  22          HD11      LEU 122 141.598  -3.514   1.440
  592   2HD1  LEU  22          HD12      LEU 122 142.455  -2.263   0.537
  593   3HD1  LEU  22          HD13      LEU 122 142.064  -3.799  -0.235
  594   1HD2  LEU  22          HD21      LEU 122 138.980  -2.631   1.597
  595   2HD2  LEU  22          HD22      LEU 122 139.604  -4.178   1.031
  596   3HD2  LEU  22          HD23      LEU 122 138.432  -3.294   0.059
  597    H    LEU  23           HN       LEU 123 137.343  -1.072   1.977
  598    HA   LEU  23           HA       LEU 123 136.786   1.317   3.290
  599   1HB   LEU  23          HB2       LEU 123 135.433  -0.598   3.606
  600   2HB   LEU  23          HB1       LEU 123 136.772  -1.556   4.153
  601    HG   LEU  23           HG       LEU 123 136.889   0.148   6.113
  602   1HD1  LEU  23          HD11      LEU 123 134.553   0.758   6.809
  603   2HD1  LEU  23          HD12      LEU 123 134.091   0.526   5.118
  604   3HD1  LEU  23          HD13      LEU 123 135.287   1.754   5.546
  605   1HD2  LEU  23          HD21      LEU 123 135.435  -2.302   5.680
  606   2HD2  LEU  23          HD22      LEU 123 134.739  -1.320   6.972
  607   3HD2  LEU  23          HD23      LEU 123 136.439  -1.793   7.037
  608    H    SER  24           HN       SER 124 139.310  -1.042   3.764
  609    HA   SER  24           HA       SER 124 140.231  -0.123   6.256
  610   1HB   SER  24          HB2       SER 124 140.855  -2.243   4.690
  611   2HB   SER  24          HB1       SER 124 142.256  -1.214   4.396
  612    HG   SER  24           HG       SER 124 142.019  -2.780   6.379
  613    H    THR  25           HN       THR 125 140.431   1.335   3.157
  614    HA   THR  25           HA       THR 125 142.849   2.786   3.650
  615    HB   THR  25           HB       THR 125 140.599   3.104   1.680
  616    HG1  THR  25           HG1      THR 125 143.352   2.845   1.146
  617   1HG2  THR  25          HG21      THR 125 141.010   5.303   1.637
  618   2HG2  THR  25          HG22      THR 125 142.409   4.803   0.683
  619   3HG2  THR  25          HG23      THR 125 142.590   5.141   2.405
  620    H    PHE  26           HN       PHE 126 139.595   2.909   4.655
  621    HA   PHE  26           HA       PHE 126 139.699   5.677   5.549
  622   1HB   PHE  26          HB2       PHE 126 137.455   3.690   5.314
  623   2HB   PHE  26          HB1       PHE 126 137.257   5.269   6.038
  624    HD1  PHE  26           HD1      PHE 126 137.524   3.427   2.945
  625    HD2  PHE  26           HD2      PHE 126 137.599   7.324   4.640
  626    HE1  PHE  26           HE1      PHE 126 137.243   4.383   0.719
  627    HE2  PHE  26           HE2      PHE 126 137.294   8.303   2.406
  628    HZ   PHE  26           HZ       PHE 126 137.113   6.844   0.425
  629    H    LEU  27           HN       LEU 127 140.457   2.669   6.780
  630    HA   LEU  27           HA       LEU 127 139.777   3.502   9.518
  631   1HB   LEU  27          HB2       LEU 127 140.589   0.775   8.511
  632   2HB   LEU  27          HB1       LEU 127 140.126   1.170  10.156
  633    HG   LEU  27           HG       LEU 127 138.277   1.446   7.787
  634   1HD1  LEU  27          HD11      LEU 127 138.321  -0.742   9.849
  635   2HD1  LEU  27          HD12      LEU 127 138.987  -0.904   8.222
  636   3HD1  LEU  27          HD13      LEU 127 137.264  -0.603   8.446
  637   1HD2  LEU  27          HD21      LEU 127 138.051   1.902  10.713
  638   2HD2  LEU  27          HD22      LEU 127 136.659   1.227   9.861
  639   3HD2  LEU  27          HD23      LEU 127 137.329   2.785   9.369
  Start of MODEL    4
    1   1H    GLY   1           HT1      GLY   1 127.727  -3.903 -14.672
    2   2H    GLY   1           HT2      GLY   1 126.380  -4.905 -14.467
    3   3H    GLY   1           HT3      GLY   1 127.670  -5.412 -15.436
    4   1HA   GLY   1          HA1       GLY   1 127.674  -6.515 -13.260
    5   2HA   GLY   1          HA2       GLY   1 129.125  -5.573 -13.559
    6    H    TYR   2           HN       TYR   2 125.862  -5.141 -12.183
    7    HA   TYR   2           HA       TYR   2 127.010  -3.292 -10.229
    8   1HB   TYR   2          HB2       TYR   2 124.165  -3.743 -11.024
    9   2HB   TYR   2          HB1       TYR   2 124.663  -2.631  -9.775
   10    HD1  TYR   2           HD1      TYR   2 123.093  -1.316 -11.489
   11    HD2  TYR   2           HD2      TYR   2 127.117  -2.435 -12.256
   12    HE1  TYR   2           HE1      TYR   2 123.271   0.489 -13.147
   13    HE2  TYR   2           HE2      TYR   2 127.312  -0.635 -13.915
   14    HH   TYR   2           HH       TYR   2 126.143   1.620 -14.331
   15    H    ILE   3           HN       ILE   3 125.989  -3.328  -8.005
   16    HA   ILE   3           HA       ILE   3 125.858  -6.103  -7.027
   17    HB   ILE   3           HB       ILE   3 125.984  -5.100  -4.764
   18   1HG1  ILE   3          HG12      ILE   3 126.523  -2.591  -6.341
   19   2HG1  ILE   3          HG11      ILE   3 125.294  -2.872  -5.111
   20   1HG2  ILE   3          HG21      ILE   3 128.082  -5.755  -4.909
   21   2HG2  ILE   3          HG22      ILE   3 128.519  -4.178  -5.567
   22   3HG2  ILE   3          HG23      ILE   3 128.069  -5.490  -6.650
   23   1HD1  ILE   3          HD11      ILE   3 127.097  -3.109  -3.441
   24   2HD1  ILE   3          HD12      ILE   3 127.020  -1.513  -4.185
   25   3HD1  ILE   3          HD13      ILE   3 128.257  -2.668  -4.689
   26    HA   PRO   4           HA       PRO   4 121.717  -5.364  -5.837
   27   1HB   PRO   4          HB2       PRO   4 121.372  -7.378  -4.014
   28   2HB   PRO   4          HB1       PRO   4 121.457  -7.662  -5.754
   29   1HG   PRO   4          HG2       PRO   4 123.411  -8.311  -3.684
   30   2HG   PRO   4          HG1       PRO   4 123.332  -8.872  -5.360
   31   1HD   PRO   4          HD2       PRO   4 124.994  -6.782  -4.213
   32   2HD   PRO   4          HD1       PRO   4 125.051  -7.479  -5.844
   33    H    GLU   5           HN       GLU   5 120.361  -4.588  -4.306
   34    HA   GLU   5           HA       GLU   5 121.379  -2.681  -2.586
   35   1HB   GLU   5          HB2       GLU   5 119.199  -2.360  -3.391
   36   2HB   GLU   5          HB1       GLU   5 118.675  -3.955  -2.885
   37   1HG   GLU   5          HG2       GLU   5 117.740  -2.943  -1.171
   38   2HG   GLU   5          HG1       GLU   5 119.349  -2.765  -0.509
   39    H    ALA   6           HN       ALA   6 121.632  -2.481  -0.417
   40    HA   ALA   6           HA       ALA   6 122.093  -4.916   1.088
   41   1HB   ALA   6          HB1       ALA   6 123.531  -3.712   2.360
   42   2HB   ALA   6          HB2       ALA   6 122.463  -2.311   2.419
   43   3HB   ALA   6          HB3       ALA   6 123.460  -2.597   0.994
   44    HA   PRO   7           HA       PRO   7 118.608  -5.066   3.757
   45   1HB   PRO   7          HB2       PRO   7 120.292  -4.717   6.156
   46   2HB   PRO   7          HB1       PRO   7 119.265  -6.074   5.694
   47   1HG   PRO   7          HG2       PRO   7 121.966  -6.190   5.603
   48   2HG   PRO   7          HG1       PRO   7 120.926  -7.090   4.481
   49   1HD   PRO   7          HD2       PRO   7 122.531  -4.633   4.021
   50   2HD   PRO   7          HD1       PRO   7 122.118  -5.940   2.899
   51    H    ARG   8           HN       ARG   8 117.176  -3.773   4.940
   52    HA   ARG   8           HA       ARG   8 118.064  -1.009   5.375
   53   1HB   ARG   8          HB2       ARG   8 115.430  -2.133   4.582
   54   2HB   ARG   8          HB1       ARG   8 115.566  -0.518   5.226
   55   1HG   ARG   8          HG2       ARG   8 115.523  -0.326   2.872
   56   2HG   ARG   8          HG1       ARG   8 117.185  -0.021   3.385
   57   1HD   ARG   8          HD2       ARG   8 117.047  -1.486   1.410
   58   2HD   ARG   8          HD1       ARG   8 117.824  -2.253   2.788
   59    HE   ARG   8           HE       ARG   8 115.944  -3.636   3.065
   60   1HH1  ARG   8          HH11      ARG   8 115.620  -1.518   0.300
   61   2HH1  ARG   8          HH12      ARG   8 114.342  -2.444  -0.408
   62   1HH2  ARG   8          HH21      ARG   8 114.262  -4.841   2.131
   63   2HH2  ARG   8          HH22      ARG   8 113.570  -4.326   0.629
   64    H    ASP   9           HN       ASP   9 118.829  -2.144   7.418
   65    HA   ASP   9           HA       ASP   9 116.710  -2.096   9.480
   66   1HB   ASP   9          HB2       ASP   9 118.261  -3.394  10.879
   67   2HB   ASP   9          HB1       ASP   9 117.902  -4.235   9.374
   68    H    GLY  10           HN       GLY  10 118.593   0.049   8.167
   69   1HA   GLY  10          HA2       GLY  10 119.271   2.109   8.978
   70   2HA   GLY  10          HA1       GLY  10 118.925   1.555  10.608
   71    H    GLN  11           HN       GLN  11 120.873  -0.679   8.969
   72    HA   GLN  11           HA       GLN  11 123.195   0.402  10.381
   73   1HB   GLN  11          HB2       GLN  11 122.227  -2.259  10.162
   74   2HB   GLN  11          HB1       GLN  11 123.775  -2.192   9.356
   75   1HG   GLN  11          HG2       GLN  11 123.115  -1.649  12.214
   76   2HG   GLN  11          HG1       GLN  11 124.336  -2.722  11.538
   77   1HE2  GLN  11          HE21      GLN  11 123.645   0.341  12.725
   78   2HE2  GLN  11          HE22      GLN  11 125.171   1.091  12.438
   79    H    ALA  12           HN       ALA  12 125.222   0.469   9.379
   80    HA   ALA  12           HA       ALA  12 125.045   1.001   6.529
   81   1HB   ALA  12          HB1       ALA  12 126.679   1.956   8.753
   82   2HB   ALA  12          HB2       ALA  12 126.270   2.745   7.228
   83   3HB   ALA  12          HB3       ALA  12 127.606   1.600   7.301
   84    H    TYR  13           HN       TYR  13 126.002  -0.092   5.027
   85    HA   TYR  13           HA       TYR  13 127.514  -2.469   5.849
   86   1HB   TYR  13          HB2       TYR  13 125.536  -2.089   3.659
   87   2HB   TYR  13          HB1       TYR  13 126.633  -3.414   3.673
   88    HD1  TYR  13           HD1      TYR  13 123.503  -2.381   4.753
   89    HD2  TYR  13           HD2      TYR  13 126.808  -4.699   5.918
   90    HE1  TYR  13           HE1      TYR  13 122.074  -3.575   6.373
   91    HE2  TYR  13           HE2      TYR  13 125.442  -5.882   7.583
   92    HH   TYR  13           HH       TYR  13 122.713  -6.369   7.664
   93    H    VAL  14           HN       VAL  14 129.070  -3.195   4.495
   94    HA   VAL  14           HA       VAL  14 130.334  -1.216   2.717
   95    HB   VAL  14           HB       VAL  14 131.777  -3.431   4.127
   96   1HG1  VAL  14          HG11      VAL  14 132.700  -0.613   3.640
   97   2HG1  VAL  14          HG12      VAL  14 132.965  -1.937   2.506
   98   3HG1  VAL  14          HG13      VAL  14 133.677  -2.005   4.110
   99   1HG2  VAL  14          HG21      VAL  14 130.162  -2.135   5.659
  100   2HG2  VAL  14          HG22      VAL  14 131.309  -0.816   5.493
  101   3HG2  VAL  14          HG23      VAL  14 131.825  -2.351   6.187
  102    H    ARG  15           HN       ARG  15 131.411  -2.215   0.865
  103    HA   ARG  15           HA       ARG  15 129.919  -4.632   0.152
  104   1HB   ARG  15          HB2       ARG  15 130.171  -2.176  -1.083
  105   2HB   ARG  15          HB1       ARG  15 131.210  -3.177  -2.013
  106   1HG   ARG  15          HG2       ARG  15 128.329  -3.092  -1.867
  107   2HG   ARG  15          HG1       ARG  15 129.360  -3.598  -3.181
  108   1HD   ARG  15          HD2       ARG  15 128.510  -5.206  -0.790
  109   2HD   ARG  15          HD1       ARG  15 128.013  -5.420  -2.446
  110    HE   ARG  15           HE       ARG  15 130.167  -6.656  -1.312
  111   1HH1  ARG  15          HH11      ARG  15 129.589  -4.753  -4.159
  112   2HH1  ARG  15          HH12      ARG  15 130.994  -5.331  -4.967
  113   1HH2  ARG  15          HH21      ARG  15 132.062  -7.342  -2.382
  114   2HH2  ARG  15          HH22      ARG  15 132.385  -6.783  -3.983
  115    H    LYS  16           HN       LYS  16 130.906  -6.342   0.465
  116    HA   LYS  16           HA       LYS  16 133.632  -6.733  -0.507
  117   1HB   LYS  16          HB2       LYS  16 134.350  -6.606   1.611
  118   2HB   LYS  16          HB1       LYS  16 132.754  -6.805   2.268
  119   1HG   LYS  16          HG2       LYS  16 133.187  -9.334   1.534
  120   2HG   LYS  16          HG1       LYS  16 134.865  -8.811   1.731
  121   1HD   LYS  16          HD2       LYS  16 133.487  -7.762   3.918
  122   2HD   LYS  16          HD1       LYS  16 132.891  -9.415   3.730
  123   1HE   LYS  16          HE2       LYS  16 135.138 -10.275   3.837
  124   2HE   LYS  16          HE1       LYS  16 135.798  -8.642   3.872
  125   1HZ   LYS  16          HZ1       LYS  16 135.408  -8.464   6.049
  126   2HZ   LYS  16          HZ2       LYS  16 135.226 -10.145   6.047
  127   3HZ   LYS  16          HZ3       LYS  16 133.864  -9.148   5.941
  128    H    ASP  17           HN       ASP  17 133.798  -8.552  -1.713
  129    HA   ASP  17           HA       ASP  17 133.249 -10.567  -2.648
  130   1HB   ASP  17          HB2       ASP  17 133.246 -10.848   0.203
  131   2HB   ASP  17          HB1       ASP  17 132.079 -11.937  -0.511
  132    H    GLY  18           HN       GLY  18 131.267  -8.727  -3.205
  133   1HA   GLY  18          HA2       GLY  18 129.143  -8.603  -4.018
  134   2HA   GLY  18          HA1       GLY  18 129.146 -10.353  -3.984
  135    H    GLU  19           HN       GLU  19 129.594  -8.856  -0.850
  136    HA   GLU  19           HA       GLU  19 126.728  -9.074  -0.369
  137   1HB   GLU  19          HB2       GLU  19 127.990  -9.944   1.989
  138   2HB   GLU  19          HB1       GLU  19 127.022 -10.887   0.876
  139   1HG   GLU  19          HG2       GLU  19 129.007 -11.487  -0.380
  140   2HG   GLU  19          HG1       GLU  19 129.994 -10.533   0.724
  141    H    TRP  20           HN       TRP  20 126.063  -8.068   1.687
  142    HA   TRP  20           HA       TRP  20 127.574  -5.629   2.062
  143   1HB   TRP  20          HB2       TRP  20 124.750  -6.346   2.900
  144   2HB   TRP  20          HB1       TRP  20 125.544  -4.826   3.264
  145    HD1  TRP  20           HD1      TRP  20 123.432  -6.291   0.632
  146    HE1  TRP  20           HE1      TRP  20 123.537  -4.827  -1.497
  147    HE3  TRP  20           HE3      TRP  20 127.452  -3.412   1.841
  148    HZ2  TRP  20           HZ2      TRP  20 125.135  -2.735  -2.500
  149    HZ3  TRP  20           HZ3      TRP  20 128.211  -1.720   0.263
  150    HH2  TRP  20           HH2      TRP  20 127.091  -1.412  -1.887
  151    H    VAL  21           HN       VAL  21 128.868  -5.385   3.663
  152    HA   VAL  21           HA       VAL  21 128.487  -7.017   6.076
  153    HB   VAL  21           HB       VAL  21 130.784  -7.274   6.332
  154   1HG1  VAL  21          HG11      VAL  21 129.961  -8.559   4.455
  155   2HG1  VAL  21          HG12      VAL  21 131.604  -8.015   4.139
  156   3HG1  VAL  21          HG13      VAL  21 130.249  -7.202   3.365
  157   1HG2  VAL  21          HG21      VAL  21 131.167  -5.013   4.381
  158   2HG2  VAL  21          HG22      VAL  21 132.470  -5.973   5.077
  159   3HG2  VAL  21          HG23      VAL  21 131.466  -4.961   6.117
  160    H    LEU  22           HN       LEU  22 128.298  -6.108   7.903
  161    HA   LEU  22           HA       LEU  22 127.625  -3.491   8.247
  162   1HB   LEU  22          HB2       LEU  22 127.815  -5.794   9.749
  163   2HB   LEU  22          HB1       LEU  22 128.892  -4.698  10.574
  164    HG   LEU  22           HG       LEU  22 126.399  -4.940  11.318
  165   1HD1  LEU  22          HD11      LEU  22 127.677  -3.377  12.493
  166   2HD1  LEU  22          HD12      LEU  22 126.349  -2.429  11.838
  167   3HD1  LEU  22          HD13      LEU  22 127.932  -2.375  11.066
  168   1HD2  LEU  22          HD21      LEU  22 125.937  -3.942   8.774
  169   2HD2  LEU  22          HD22      LEU  22 125.656  -2.580   9.862
  170   3HD2  LEU  22          HD23      LEU  22 124.779  -4.093  10.090
  171    H    LEU  23           HN       LEU  23 128.647  -1.661   8.266
  172    HA   LEU  23           HA       LEU  23 131.385  -1.303   7.838
  173   1HB   LEU  23          HB2       LEU  23 129.772   0.381   7.322
  174   2HB   LEU  23          HB1       LEU  23 129.267   0.502   8.979
  175    HG   LEU  23           HG       LEU  23 131.169   1.701   9.636
  176   1HD1  LEU  23          HD11      LEU  23 132.471   0.912   7.042
  177   2HD1  LEU  23          HD12      LEU  23 132.927   0.389   8.663
  178   3HD1  LEU  23          HD13      LEU  23 133.121   2.081   8.196
  179   1HD2  LEU  23          HD21      LEU  23 130.728   2.674   6.841
  180   2HD2  LEU  23          HD22      LEU  23 131.245   3.599   8.229
  181   3HD2  LEU  23          HD23      LEU  23 129.604   2.965   8.166
  182    H    SER  24           HN       SER  24 129.484  -1.389  10.762
  183    HA   SER  24           HA       SER  24 131.462  -0.454  12.533
  184   1HB   SER  24          HB2       SER  24 129.515  -2.437  13.557
  185   2HB   SER  24          HB1       SER  24 129.916  -0.833  14.163
  186    HG   SER  24           HG       SER  24 127.793  -0.970  13.264
  187    H    THR  25           HN       THR  25 131.066  -3.524  10.959
  188    HA   THR  25           HA       THR  25 132.537  -5.066  12.853
  189    HB   THR  25           HB       THR  25 132.049  -5.519   9.910
  190    HG1  THR  25           HG1      THR  25 130.771  -6.382  12.270
  191   1HG2  THR  25          HG21      THR  25 132.886  -7.645  10.027
  192   2HG2  THR  25          HG22      THR  25 132.764  -7.716  11.785
  193   3HG2  THR  25          HG23      THR  25 134.042  -6.767  11.027
  194    H    PHE  26           HN       PHE  26 133.237  -2.807  10.400
  195    HA   PHE  26           HA       PHE  26 136.084  -3.433  10.212
  196   1HB   PHE  26          HB2       PHE  26 134.216  -1.675   8.636
  197   2HB   PHE  26          HB1       PHE  26 135.959  -1.642   8.381
  198    HD1  PHE  26           HD1      PHE  26 133.047  -3.960   8.519
  199    HD2  PHE  26           HD2      PHE  26 136.933  -3.233   6.935
  200    HE1  PHE  26           HE1      PHE  26 132.845  -5.982   7.116
  201    HE2  PHE  26           HE2      PHE  26 136.732  -5.245   5.528
  202    HZ   PHE  26           HZ       PHE  26 134.681  -6.624   5.624
  203    H    LEU  27           HN       LEU  27 134.075  -1.597  12.077
  204    HA   LEU  27           HA       LEU  27 136.161   0.416  12.525
  205   1HB   LEU  27          HB2       LEU  27 133.300   0.549  12.270
  206   2HB   LEU  27          HB1       LEU  27 133.800   1.184  13.826
  207    HG   LEU  27           HG       LEU  27 135.124   2.854  12.847
  208   1HD1  LEU  27          HD11      LEU  27 134.765   2.623  10.066
  209   2HD1  LEU  27          HD12      LEU  27 135.382   1.072  10.654
  210   3HD1  LEU  27          HD13      LEU  27 136.269   2.559  10.994
  211   1HD2  LEU  27          HD21      LEU  27 132.447   2.478  11.656
  212   2HD2  LEU  27          HD22      LEU  27 133.458   3.824  11.127
  213   3HD2  LEU  27          HD23      LEU  27 133.012   3.663  12.834
  214   1H    GLY   1           HT1      GLY  51 117.038  -6.872  -3.370
  215   2H    GLY   1           HT2      GLY  51 115.769  -5.801  -3.693
  216   3H    GLY   1           HT3      GLY  51 117.308  -5.203  -3.332
  217   1HA   GLY   1          HA1       GLY  51 117.153  -7.013  -5.597
  218   2HA   GLY   1          HA2       GLY  51 116.381  -5.450  -5.810
  219    H    TYR   2           HN       TYR  52 117.617  -3.807  -6.460
  220    HA   TYR   2           HA       TYR  52 120.511  -3.974  -6.006
  221   1HB   TYR   2          HB2       TYR  52 119.054  -3.794  -8.541
  222   2HB   TYR   2          HB1       TYR  52 120.422  -2.709  -8.387
  223    HD1  TYR   2           HD1      TYR  52 122.255  -3.526  -9.519
  224    HD2  TYR   2           HD2      TYR  52 119.803  -6.256  -7.367
  225    HE1  TYR   2           HE1      TYR  52 123.773  -5.364 -10.121
  226    HE2  TYR   2           HE2      TYR  52 121.321  -8.096  -7.957
  227    HH   TYR   2           HH       TYR  52 124.316  -7.770  -8.923
  228    H    ILE   3           HN       ILE  53 121.537  -2.109  -5.479
  229    HA   ILE   3           HA       ILE  53 119.872   0.167  -4.776
  230    HB   ILE   3           HB       ILE  53 122.047   1.136  -3.928
  231   1HG1  ILE   3          HG12      ILE  53 122.922  -1.712  -4.391
  232   2HG1  ILE   3          HG11      ILE  53 123.612  -0.240  -5.044
  233   1HG2  ILE   3          HG21      ILE  53 120.387  -0.972  -2.819
  234   2HG2  ILE   3          HG22      ILE  53 120.859   0.580  -2.139
  235   3HG2  ILE   3          HG23      ILE  53 121.950  -0.805  -2.029
  236   1HD1  ILE   3          HD11      ILE  53 124.130   0.401  -2.645
  237   2HD1  ILE   3          HD12      ILE  53 125.091  -0.884  -3.377
  238   3HD1  ILE   3          HD13      ILE  53 123.787  -1.286  -2.259
  239    HA   PRO   4           HA       PRO  54 121.494   2.796  -7.906
  240   1HB   PRO   4          HB2       PRO  54 120.667   5.169  -6.986
  241   2HB   PRO   4          HB1       PRO  54 119.485   3.929  -7.427
  242   1HG   PRO   4          HG2       PRO  54 120.370   4.820  -4.735
  243   2HG   PRO   4          HG1       PRO  54 118.804   4.171  -5.245
  244   1HD   PRO   4          HD2       PRO  54 120.947   2.752  -3.979
  245   2HD   PRO   4          HD1       PRO  54 119.423   2.085  -4.608
  246    H    GLU   5           HN       GLU  55 123.087   4.234  -8.436
  247    HA   GLU   5           HA       GLU  55 125.440   4.031  -7.018
  248   1HB   GLU   5          HB2       GLU  55 125.453   4.403  -9.379
  249   2HB   GLU   5          HB1       GLU  55 124.656   5.960  -9.187
  250   1HG   GLU   5          HG2       GLU  55 126.572   6.999  -8.844
  251   2HG   GLU   5          HG1       GLU  55 127.095   5.816  -7.648
  252    H    ALA   6           HN       ALA  56 126.679   5.303  -5.792
  253    HA   ALA   6           HA       ALA  56 125.335   7.366  -4.248
  254   1HB   ALA   6          HB1       ALA  56 126.850   6.967  -2.598
  255   2HB   ALA   6          HB2       ALA  56 128.166   6.655  -3.727
  256   3HB   ALA   6          HB3       ALA  56 126.944   5.418  -3.435
  257    HA   PRO   7           HA       PRO  57 126.785  11.084  -6.139
  258   1HB   PRO   7          HB2       PRO  57 128.065  11.906  -3.654
  259   2HB   PRO   7          HB1       PRO  57 126.686  12.612  -4.487
  260   1HG   PRO   7          HG2       PRO  57 126.699  10.898  -2.190
  261   2HG   PRO   7          HG1       PRO  57 125.320  11.676  -2.971
  262   1HD   PRO   7          HD2       PRO  57 125.834   8.948  -2.931
  263   2HD   PRO   7          HD1       PRO  57 124.746   9.774  -4.061
  264    H    ARG   8           HN       ARG  58 128.641  12.083  -6.906
  265    HA   ARG   8           HA       ARG  58 131.170  10.637  -6.445
  266   1HB   ARG   8          HB2       ARG  58 129.923  11.853  -8.853
  267   2HB   ARG   8          HB1       ARG  58 131.673  11.866  -8.731
  268   1HG   ARG   8          HG2       ARG  58 131.268   9.920  -9.887
  269   2HG   ARG   8          HG1       ARG  58 131.438   9.351  -8.231
  270   1HD   ARG   8          HD2       ARG  58 129.473   8.352  -8.472
  271   2HD   ARG   8          HD1       ARG  58 128.743   9.957  -8.479
  272    HE   ARG   8           HE       ARG  58 128.182   9.553 -10.642
  273   1HH1  ARG   8          HH11      ARG  58 131.123   7.802  -9.971
  274   2HH1  ARG   8          HH12      ARG  58 131.235   7.128 -11.561
  275   1HH2  ARG   8          HH21      ARG  58 128.327   8.664 -12.736
  276   2HH2  ARG   8          HH22      ARG  58 129.649   7.617 -13.130
  277    H    ASP   9           HN       ASP  59 131.091  12.225  -4.529
  278    HA   ASP   9           HA       ASP  59 132.260  14.810  -5.340
  279   1HB   ASP   9          HB2       ASP  59 131.610  15.666  -3.162
  280   2HB   ASP   9          HB1       ASP  59 130.207  14.975  -3.970
  281    H    GLY  10           HN       GLY  60 133.519  12.031  -4.888
  282   1HA   GLY  10          HA2       GLY  60 135.652  11.410  -4.240
  283   2HA   GLY  10          HA1       GLY  60 135.902  13.039  -3.642
  284    H    GLN  11           HN       GLN  61 133.066  11.752  -2.353
  285    HA   GLN  11           HA       GLN  61 134.523  11.074   0.094
  286   1HB   GLN  11          HB2       GLN  61 132.074  12.503  -0.363
  287   2HB   GLN  11          HB1       GLN  61 131.852  11.227   0.792
  288   1HG   GLN  11          HG2       GLN  61 132.568  12.788   2.266
  289   2HG   GLN  11          HG1       GLN  61 134.145  12.317   1.683
  290   1HE2  GLN  11          HE21      GLN  61 131.537  14.540   0.871
  291   2HE2  GLN  11          HE22      GLN  61 132.559  15.850   0.410
  292    H    ALA  12           HN       ALA  62 133.907   9.313   1.289
  293    HA   ALA  12           HA       ALA  62 132.940   7.096  -0.343
  294   1HB   ALA  12          HB1       ALA  62 135.056   7.268   1.364
  295   2HB   ALA  12          HB2       ALA  62 134.306   5.764   0.830
  296   3HB   ALA  12          HB3       ALA  62 133.841   6.482   2.372
  297    H    TYR  13           HN       TYR  63 131.215   5.950  -0.005
  298    HA   TYR  13           HA       TYR  63 129.480   6.760   2.226
  299   1HB   TYR  13          HB2       TYR  63 128.817   6.080  -0.599
  300   2HB   TYR  13          HB1       TYR  63 127.638   6.035   0.631
  301    HD1  TYR  13           HD1      TYR  63 129.368   8.049  -1.657
  302    HD2  TYR  13           HD2      TYR  63 127.250   8.175   1.979
  303    HE1  TYR  13           HE1      TYR  63 129.047  10.471  -1.941
  304    HE2  TYR  13           HE2      TYR  63 126.951  10.608   1.748
  305    HH   TYR  13           HH       TYR  63 127.167  12.367   0.379
  306    H    VAL  14           HN       VAL  64 128.138   5.307   3.017
  307    HA   VAL  14           HA       VAL  64 128.937   2.479   2.841
  308    HB   VAL  14           HB       VAL  64 127.344   3.470   5.095
  309   1HG1  VAL  14          HG11      VAL  64 130.002   2.059   5.117
  310   2HG1  VAL  14          HG12      VAL  64 128.442   1.241   5.045
  311   3HG1  VAL  14          HG13      VAL  64 128.859   2.204   6.451
  312   1HG2  VAL  14          HG21      VAL  64 129.394   4.573   6.132
  313   2HG2  VAL  14          HG22      VAL  64 128.484   5.464   4.924
  314   3HG2  VAL  14          HG23      VAL  64 129.997   4.678   4.481
  315    H    ARG  15           HN       ARG  65 127.106   0.974   2.943
  316    HA   ARG  15           HA       ARG  65 124.723   2.284   1.868
  317   1HB   ARG  15          HB2       ARG  65 126.225   0.214   0.862
  318   2HB   ARG  15          HB1       ARG  65 124.916  -0.626   1.611
  319   1HG   ARG  15          HG2       ARG  65 124.962   1.085  -0.774
  320   2HG   ARG  15          HG1       ARG  65 124.101  -0.409  -0.503
  321   1HD   ARG  15          HD2       ARG  65 123.175   1.868   1.078
  322   2HD   ARG  15          HD1       ARG  65 123.014   2.022  -0.663
  323    HE   ARG  15           HE       ARG  65 121.624   0.103  -0.666
  324   1HH1  ARG  15          HH11      ARG  65 122.295   1.313   2.489
  325   2HH1  ARG  15          HH12      ARG  65 121.205   0.237   3.282
  326   1HH2  ARG  15          HH21      ARG  65 120.166  -1.313   0.351
  327   2HH2  ARG  15          HH22      ARG  65 119.973  -1.232   2.067
  328    H    LYS  16           HN       LYS  66 123.416   2.750   3.370
  329    HA   LYS  16           HA       LYS  66 122.499   0.702   5.259
  330   1HB   LYS  16          HB2       LYS  66 123.499   1.801   6.942
  331   2HB   LYS  16          HB1       LYS  66 123.906   3.161   5.921
  332   1HG   LYS  16          HG2       LYS  66 121.547   3.987   6.286
  333   2HG   LYS  16          HG1       LYS  66 121.371   2.703   7.483
  334   1HD   LYS  16          HD2       LYS  66 123.558   3.695   8.476
  335   2HD   LYS  16          HD1       LYS  66 123.116   5.128   7.548
  336   1HE   LYS  16          HE2       LYS  66 120.802   4.216   8.912
  337   2HE   LYS  16          HE1       LYS  66 122.134   4.259  10.067
  338   1HZ   LYS  16          HZ1       LYS  66 121.634   6.419  10.223
  339   2HZ   LYS  16          HZ2       LYS  66 120.739   6.432   8.788
  340   3HZ   LYS  16          HZ3       LYS  66 122.421   6.593   8.735
  341    H    ASP  17           HN       ASP  67 120.309   0.523   5.220
  342    HA   ASP  17           HA       ASP  67 118.118   1.006   4.798
  343   1HB   ASP  17          HB2       ASP  67 119.255   3.147   6.305
  344   2HB   ASP  17          HB1       ASP  67 118.096   3.836   5.184
  345    H    GLY  18           HN       GLY  68 119.496   0.845   2.445
  346   1HA   GLY  18          HA2       GLY  68 119.293   1.327   0.226
  347   2HA   GLY  18          HA1       GLY  68 117.789   2.116   0.644
  348    H    GLU  19           HN       GLU  69 120.607   3.471   2.177
  349    HA   GLU  19           HA       GLU  69 120.735   5.488   0.073
  350   1HB   GLU  19          HB2       GLU  69 120.525   5.938   3.045
  351   2HB   GLU  19          HB1       GLU  69 120.787   7.186   1.849
  352   1HG   GLU  19          HG2       GLU  69 118.636   6.907   0.926
  353   2HG   GLU  19          HG1       GLU  69 118.395   5.389   1.786
  354    H    TRP  20           HN       TRP  70 122.621   6.878   0.207
  355    HA   TRP  20           HA       TRP  70 124.934   5.347   1.077
  356   1HB   TRP  20          HB2       TRP  70 124.734   7.685  -0.845
  357   2HB   TRP  20          HB1       TRP  70 126.240   6.947  -0.324
  358    HD1  TRP  20           HD1      TRP  70 123.787   6.571  -3.042
  359    HE1  TRP  20           HE1      TRP  70 124.052   4.245  -4.169
  360    HE3  TRP  20           HE3      TRP  70 126.760   4.295   0.434
  361    HZ2  TRP  20           HZ2      TRP  70 125.353   1.844  -3.634
  362    HZ3  TRP  20           HZ3      TRP  70 127.465   1.982   0.038
  363    HH2  TRP  20           HH2      TRP  70 126.739   0.794  -1.953
  364    H    VAL  21           HN       VAL  71 125.738   5.746   2.949
  365    HA   VAL  21           HA       VAL  71 125.468   8.452   4.086
  366    HB   VAL  21           HB       VAL  71 126.301   6.027   5.651
  367   1HG1  VAL  21          HG11      VAL  71 126.670   8.430   6.422
  368   2HG1  VAL  21          HG12      VAL  71 125.894   7.319   7.549
  369   3HG1  VAL  21          HG13      VAL  71 124.924   8.490   6.656
  370   1HG2  VAL  21          HG21      VAL  71 124.254   5.178   5.598
  371   2HG2  VAL  21          HG22      VAL  71 123.653   6.540   4.652
  372   3HG2  VAL  21          HG23      VAL  71 123.684   6.632   6.413
  373    H    LEU  22           HN       LEU  72 127.153   9.515   4.733
  374    HA   LEU  22           HA       LEU  72 129.637   9.102   3.553
  375   1HB   LEU  22          HB2       LEU  72 128.385  10.882   5.448
  376   2HB   LEU  22          HB1       LEU  72 130.115  10.698   5.695
  377    HG   LEU  22           HG       LEU  72 128.669  11.787   3.303
  378   1HD1  LEU  22          HD11      LEU  72 130.438  13.537   3.617
  379   2HD1  LEU  22          HD12      LEU  72 130.822  12.734   5.140
  380   3HD1  LEU  22          HD13      LEU  72 129.219  13.424   4.888
  381   1HD2  LEU  22          HD21      LEU  72 130.957  11.895   2.255
  382   2HD2  LEU  22          HD22      LEU  72 130.184  10.313   2.262
  383   3HD2  LEU  22          HD23      LEU  72 131.461  10.681   3.427
  384    H    LEU  23           HN       LEU  73 131.225   7.820   4.000
  385    HA   LEU  23           HA       LEU  73 131.241   5.923   6.048
  386   1HB   LEU  23          HB2       LEU  73 132.509   5.610   4.082
  387   2HB   LEU  23          HB1       LEU  73 133.395   7.088   4.318
  388    HG   LEU  23           HG       LEU  73 134.495   6.140   6.304
  389   1HD1  LEU  23          HD11      LEU  73 132.919   3.695   5.594
  390   2HD1  LEU  23          HD12      LEU  73 133.031   4.529   7.145
  391   3HD1  LEU  23          HD13      LEU  73 134.420   3.631   6.522
  392   1HD2  LEU  23          HD21      LEU  73 134.837   5.221   3.581
  393   2HD2  LEU  23          HD22      LEU  73 135.496   4.104   4.780
  394   3HD2  LEU  23          HD23      LEU  73 136.010   5.787   4.758
  395    H    SER  24           HN       SER  74 132.797   9.077   5.789
  396    HA   SER  24           HA       SER  74 134.412   8.894   8.073
  397   1HB   SER  24          HB2       SER  74 133.192  11.322   6.741
  398   2HB   SER  24          HB1       SER  74 134.445  11.386   7.980
  399    HG   SER  24           HG       SER  74 134.641  10.788   5.315
  400    H    THR  25           HN       THR  75 130.997   9.269   7.802
  401    HA   THR  25           HA       THR  75 130.621  10.575  10.310
  402    HB   THR  25           HB       THR  75 128.852   9.060   8.439
  403    HG1  THR  25           HG1      THR  75 127.698  11.207   9.315
  404   1HG2  THR  25          HG21      THR  75 128.209   9.541  11.322
  405   2HG2  THR  25          HG22      THR  75 127.946   8.094  10.350
  406   3HG2  THR  25          HG23      THR  75 126.951   9.526  10.086
  407    H    PHE  26           HN       PHE  76 131.589   7.490   9.273
  408    HA   PHE  26           HA       PHE  76 130.958   6.198  11.803
  409   1HB   PHE  26          HB2       PHE  76 131.880   5.075   9.160
  410   2HB   PHE  26          HB1       PHE  76 131.603   4.113  10.581
  411    HD1  PHE  26           HD1      PHE  76 129.938   6.216   8.049
  412    HD2  PHE  26           HD2      PHE  76 129.405   3.516  11.299
  413    HE1  PHE  26           HE1      PHE  76 127.542   6.015   7.488
  414    HE2  PHE  26           HE2      PHE  76 127.019   3.316  10.751
  415    HZ   PHE  26           HZ       PHE  76 126.074   4.565   8.850
  416    H    LEU  27           HN       LEU  77 133.659   7.675  10.201
  417    HA   LEU  27           HA       LEU  77 135.478   6.091  11.869
  418   1HB   LEU  27          HB2       LEU  77 136.443   8.039   9.817
  419   2HB   LEU  27          HB1       LEU  77 137.226   6.595  10.429
  420    HG   LEU  27           HG       LEU  77 134.858   6.634   8.547
  421   1HD1  LEU  27          HD11      LEU  77 137.620   6.964   8.040
  422   2HD1  LEU  27          HD12      LEU  77 136.305   6.758   6.879
  423   3HD1  LEU  27          HD13      LEU  77 137.155   5.343   7.513
  424   1HD2  LEU  27          HD21      LEU  77 136.053   4.528  10.143
  425   2HD2  LEU  27          HD22      LEU  77 136.085   4.177   8.408
  426   3HD2  LEU  27          HD23      LEU  77 134.550   4.534   9.217
  427   1H    GLY   1           HT1      GLY 101 122.761   3.798 -13.373
  428   2H    GLY   1           HT2      GLY 101 121.875   5.001 -14.166
  429   3H    GLY   1           HT3      GLY 101 121.103   3.590 -13.644
  430   1HA   GLY   1          HA1       GLY 101 121.949   5.932 -12.110
  431   2HA   GLY   1          HA2       GLY 101 120.476   4.984 -11.976
  432    H    TYR   2           HN       TYR 102 122.143   2.479 -11.992
  433    HA   TYR   2           HA       TYR 102 122.734   2.526  -9.136
  434   1HB   TYR   2          HB2       TYR 102 122.361   0.228 -11.008
  435   2HB   TYR   2          HB1       TYR 102 122.806   0.042  -9.331
  436    HD1  TYR   2           HD1      TYR 102 120.732  -1.475  -9.510
  437    HD2  TYR   2           HD2      TYR 102 120.542   2.765  -9.721
  438    HE1  TYR   2           HE1      TYR 102 118.351  -1.560  -8.905
  439    HE2  TYR   2           HE2      TYR 102 118.162   2.695  -9.116
  440    HH   TYR   2           HH       TYR 102 116.688   0.208  -7.731
  441    H    ILE   3           HN       ILE 103 124.598   1.310  -8.326
  442    HA   ILE   3           HA       ILE 103 126.991   2.040  -9.802
  443    HB   ILE   3           HB       ILE 103 128.144   0.971  -7.794
  444   1HG1  ILE   3          HG12      ILE 103 125.337   1.218  -6.714
  445   2HG1  ILE   3          HG11      ILE 103 126.309  -0.242  -6.854
  446   1HG2  ILE   3          HG21      ILE 103 128.487   3.112  -7.451
  447   2HG2  ILE   3          HG22      ILE 103 127.058   3.152  -6.448
  448   3HG2  ILE   3          HG23      ILE 103 126.953   3.551  -8.163
  449   1HD1  ILE   3          HD11      ILE 103 127.943   0.906  -5.290
  450   2HD1  ILE   3          HD12      ILE 103 126.422   0.340  -4.604
  451   3HD1  ILE   3          HD13      ILE 103 126.648   2.051  -4.976
  452    HA   PRO   4           HA       PRO 104 127.988  -2.123 -10.836
  453   1HB   PRO   4          HB2       PRO 104 130.617  -1.742 -11.506
  454   2HB   PRO   4          HB1       PRO 104 129.283  -1.215 -12.535
  455   1HG   PRO   4          HG2       PRO 104 131.147   0.402 -11.004
  456   2HG   PRO   4          HG1       PRO 104 129.953   0.920 -12.201
  457   1HD   PRO   4          HD2       PRO 104 129.778   0.956  -9.275
  458   2HD   PRO   4          HD1       PRO 104 128.760   1.781 -10.472
  459    H    GLU   5           HN       GLU 105 128.837  -3.931 -10.075
  460    HA   GLU   5           HA       GLU 105 129.309  -4.142  -7.384
  461   1HB   GLU   5          HB2       GLU 105 128.444  -6.001  -8.508
  462   2HB   GLU   5          HB1       GLU 105 129.763  -6.020  -9.666
  463   1HG   GLU   5          HG2       GLU 105 130.530  -7.683  -8.421
  464   2HG   GLU   5          HG1       GLU 105 131.113  -6.423  -7.356
  465    H    ALA   6           HN       ALA 106 130.930  -4.457  -6.097
  466    HA   ALA   6           HA       ALA 106 133.564  -3.535  -6.847
  467   1HB   ALA   6          HB1       ALA 106 132.158  -3.124  -4.622
  468   2HB   ALA   6          HB2       ALA 106 133.922  -3.173  -4.617
  469   3HB   ALA   6          HB3       ALA 106 132.999  -4.593  -4.125
  470    HA   PRO   7           HA       PRO 107 135.738  -7.351  -7.395
  471   1HB   PRO   7          HB2       PRO 107 137.465  -6.562  -5.104
  472   2HB   PRO   7          HB1       PRO 107 137.917  -7.046  -6.741
  473   1HG   PRO   7          HG2       PRO 107 138.018  -4.486  -5.972
  474   2HG   PRO   7          HG1       PRO 107 137.527  -4.942  -7.615
  475   1HD   PRO   7          HD2       PRO 107 135.873  -3.984  -5.337
  476   2HD   PRO   7          HD1       PRO 107 135.642  -3.751  -7.081
  477    H    ARG   8           HN       ARG 108 135.959  -9.428  -6.510
  478    HA   ARG   8           HA       ARG 108 134.679  -9.827  -3.891
  479   1HB   ARG   8          HB2       ARG 108 134.619 -11.333  -6.414
  480   2HB   ARG   8          HB1       ARG 108 134.519 -12.256  -4.933
  481   1HG   ARG   8          HG2       ARG 108 132.304 -11.920  -5.396
  482   2HG   ARG   8          HG1       ARG 108 132.636 -10.558  -4.335
  483   1HD   ARG   8          HD2       ARG 108 132.491  -9.029  -6.010
  484   2HD   ARG   8          HD1       ARG 108 133.024 -10.166  -7.246
  485    HE   ARG   8           HE       ARG 108 130.311 -10.061  -6.096
  486   1HH1  ARG   8          HH11      ARG 108 132.478 -10.906  -8.712
  487   2HH1  ARG   8          HH12      ARG 108 131.197 -11.363  -9.780
  488   1HH2  ARG   8          HH21      ARG 108 128.640 -10.665  -7.508
  489   2HH2  ARG   8          HH22      ARG 108 129.023 -11.228  -9.101
  490    H    ASP   9           HN       ASP 109 137.016  -9.231  -3.320
  491    HA   ASP   9           HA       ASP 109 138.703 -11.649  -3.277
  492   1HB   ASP   9          HB2       ASP 109 140.557 -10.128  -2.720
  493   2HB   ASP   9          HB1       ASP 109 139.797  -9.693  -4.247
  494    H    GLY  10           HN       GLY 110 136.378 -10.611  -1.441
  495   1HA   GLY  10          HA2       GLY 110 135.904 -11.124   0.778
  496   2HA   GLY  10          HA1       GLY 110 137.578 -11.627   0.979
  497    H    GLN  11           HN       GLN 111 137.364  -8.556  -0.408
  498    HA   GLN  11           HA       GLN 111 137.914  -7.338   2.202
  499   1HB   GLN  11          HB2       GLN 111 139.077  -7.027  -0.394
  500   2HB   GLN  11          HB1       GLN 111 138.567  -5.503   0.221
  501   1HG   GLN  11          HG2       GLN 111 140.902  -7.025   0.815
  502   2HG   GLN  11          HG1       GLN 111 140.525  -5.405   1.315
  503   1HE2  GLN  11          HE21      GLN 111 139.262  -5.227   3.363
  504   2HE2  GLN  11          HE22      GLN 111 139.535  -6.395   4.574
  505    H    ALA  12           HN       ALA 112 137.045  -5.331   2.650
  506    HA   ALA  12           HA       ALA 112 134.397  -4.933   1.520
  507   1HB   ALA  12          HB1       ALA 112 134.985  -5.109   4.022
  508   2HB   ALA  12          HB2       ALA 112 133.792  -3.931   3.492
  509   3HB   ALA  12          HB3       ALA 112 135.439  -3.415   3.863
  510    H    TYR  13           HN       TYR 113 133.719  -3.225   0.516
  511    HA   TYR  13           HA       TYR 113 135.656  -1.068  -0.053
  512   1HB   TYR  13          HB2       TYR 113 133.596  -2.371  -1.793
  513   2HB   TYR  13          HB1       TYR 113 134.318  -0.859  -2.187
  514    HD1  TYR  13           HD1      TYR 113 134.670  -4.333  -2.368
  515    HD2  TYR  13           HD2      TYR 113 136.838  -0.740  -2.232
  516    HE1  TYR  13           HE1      TYR 113 136.636  -5.511  -3.270
  517    HE2  TYR  13           HE2      TYR 113 138.815  -1.865  -3.092
  518    HH   TYR  13           HH       TYR 113 139.283  -3.944  -4.523
  519    H    VAL  14           HN       VAL 114 134.882   0.907  -0.355
  520    HA   VAL  14           HA       VAL 114 132.304   1.607   0.898
  521    HB   VAL  14           HB       VAL 114 134.401   3.646   0.558
  522   1HG1  VAL  14          HG11      VAL 114 132.348   3.022   2.489
  523   2HG1  VAL  14          HG12      VAL 114 133.164   4.555   2.182
  524   3HG1  VAL  14          HG13      VAL 114 133.881   3.376   3.282
  525   1HG2  VAL  14          HG21      VAL 114 135.062   1.082   1.825
  526   2HG2  VAL  14          HG22      VAL 114 135.578   2.535   2.672
  527   3HG2  VAL  14          HG23      VAL 114 136.092   2.259   1.016
  528    H    ARG  15           HN       ARG 115 131.131   3.344  -0.262
  529    HA   ARG  15           HA       ARG 115 131.947   3.285  -3.086
  530   1HB   ARG  15          HB2       ARG 115 129.537   2.636  -1.915
  531   2HB   ARG  15          HB1       ARG 115 129.236   4.251  -2.392
  532   1HG   ARG  15          HG2       ARG 115 129.034   1.940  -3.945
  533   2HG   ARG  15          HG1       ARG 115 128.767   3.591  -4.457
  534   1HD   ARG  15          HD2       ARG 115 131.311   3.677  -4.779
  535   2HD   ARG  15          HD1       ARG 115 131.253   1.927  -4.672
  536    HE   ARG  15           HE       ARG 115 130.235   1.862  -6.747
  537   1HH1  ARG  15          HH11      ARG 115 130.272   5.144  -5.622
  538   2HH1  ARG  15          HH12      ARG 115 130.121   5.828  -7.201
  539   1HH2  ARG  15          HH21      ARG 115 130.139   2.708  -8.830
  540   2HH2  ARG  15          HH22      ARG 115 130.074   4.417  -9.062
  541    H    LYS  16           HN       LYS 116 133.133   4.839  -3.580
  542    HA   LYS  16           HA       LYS 116 132.374   7.594  -2.987
  543   1HB   LYS  16          HB2       LYS 116 134.065   7.826  -1.564
  544   2HB   LYS  16          HB1       LYS 116 134.650   6.218  -1.910
  545   1HG   LYS  16          HG2       LYS 116 135.891   7.144  -3.851
  546   2HG   LYS  16          HG1       LYS 116 135.344   8.757  -3.389
  547   1HD   LYS  16          HD2       LYS 116 136.346   8.299  -1.096
  548   2HD   LYS  16          HD1       LYS 116 137.099   6.872  -1.801
  549   1HE   LYS  16          HE2       LYS 116 137.589   9.210  -3.396
  550   2HE   LYS  16          HE1       LYS 116 138.102   9.471  -1.747
  551   1HZ   LYS  16          HZ1       LYS 116 139.517   7.588  -1.858
  552   2HZ   LYS  16          HZ2       LYS 116 139.817   8.499  -3.251
  553   3HZ   LYS  16          HZ3       LYS 116 138.877   7.096  -3.345
  554    H    ASP  17           HN       ASP 117 132.574   8.926  -4.685
  555    HA   ASP  17           HA       ASP 117 132.780   9.552  -6.847
  556   1HB   ASP  17          HB2       ASP 117 135.303   9.198  -7.573
  557   2HB   ASP  17          HB1       ASP 117 134.832  10.422  -6.432
  558    H    GLY  18           HN       GLY 118 131.551   7.129  -6.958
  559   1HA   GLY  18          HA2       GLY 118 130.993   5.608  -8.585
  560   2HA   GLY  18          HA1       GLY 118 132.182   6.359  -9.603
  561    H    GLU  19           HN       GLU 119 133.639   5.186  -6.687
  562    HA   GLU  19           HA       GLU 119 134.249   2.667  -8.055
  563   1HB   GLU  19          HB2       GLU 119 136.345   4.337  -6.688
  564   2HB   GLU  19          HB1       GLU 119 136.579   2.931  -7.708
  565   1HG   GLU  19          HG2       GLU 119 136.633   4.153  -9.560
  566   2HG   GLU  19          HG1       GLU 119 135.199   5.064  -9.097
  567    H    TRP  20           HN       TRP 120 135.242   1.057  -6.720
  568    HA   TRP  20           HA       TRP 120 134.195   1.200  -4.009
  569   1HB   TRP  20          HB2       TRP 120 135.142  -1.163  -5.641
  570   2HB   TRP  20          HB1       TRP 120 134.714  -1.251  -3.948
  571    HD1  TRP  20           HD1      TRP 120 133.136  -1.622  -7.233
  572    HE1  TRP  20           HE1      TRP 120 130.568  -1.543  -7.006
  573    HE3  TRP  20           HE3      TRP 120 132.777   0.199  -2.469
  574    HZ2  TRP  20           HZ2      TRP 120 128.672  -0.807  -5.075
  575    HZ3  TRP  20           HZ3      TRP 120 130.553   0.544  -1.512
  576    HH2  TRP  20           HH2      TRP 120 128.537   0.062  -2.789
  577    H    VAL  21           HN       VAL 121 135.467   1.940  -2.558
  578    HA   VAL  21           HA       VAL 121 138.355   1.494  -2.818
  579    HB   VAL  21           HB       VAL 121 138.742   3.545  -1.766
  580   1HG1  VAL  21          HG11      VAL 121 137.877   3.852  -4.001
  581   2HG1  VAL  21          HG12      VAL 121 137.313   5.164  -2.965
  582   3HG1  VAL  21          HG13      VAL 121 136.221   3.846  -3.393
  583   1HG2  VAL  21          HG21      VAL 121 135.891   3.436  -0.797
  584   2HG2  VAL  21          HG22      VAL 121 136.928   4.853  -0.637
  585   3HG2  VAL  21          HG23      VAL 121 137.360   3.348   0.173
  586    H    LEU  22           HN       LEU 122 139.432   0.551  -1.339
  587    HA   LEU  22           HA       LEU 122 138.278  -1.233   0.372
  588   1HB   LEU  22          HB2       LEU 122 140.891  -0.157  -0.180
  589   2HB   LEU  22          HB1       LEU 122 140.725  -0.727   1.472
  590    HG   LEU  22           HG       LEU 122 140.729  -2.252  -1.076
  591   1HD1  LEU  22          HD11      LEU 122 142.241  -3.589  -0.054
  592   2HD1  LEU  22          HD12      LEU 122 141.513  -3.374   1.542
  593   3HD1  LEU  22          HD13      LEU 122 142.521  -2.099   0.847
  594   1HD2  LEU  22          HD21      LEU 122 138.616  -2.963  -0.429
  595   2HD2  LEU  22          HD22      LEU 122 139.036  -2.958   1.284
  596   3HD2  LEU  22          HD23      LEU 122 139.718  -4.173   0.205
  597    H    LEU  23           HN       LEU 123 137.287  -1.125   2.226
  598    HA   LEU  23           HA       LEU 123 136.762   1.247   3.602
  599   1HB   LEU  23          HB2       LEU 123 135.396  -0.752   3.796
  600   2HB   LEU  23          HB1       LEU 123 136.694  -1.601   4.584
  601    HG   LEU  23           HG       LEU 123 136.434  -0.479   6.593
  602   1HD1  LEU  23          HD11      LEU 123 136.513   1.800   5.609
  603   2HD1  LEU  23          HD12      LEU 123 135.369   1.618   6.935
  604   3HD1  LEU  23          HD13      LEU 123 134.790   1.662   5.269
  605   1HD2  LEU  23          HD21      LEU 123 134.122  -0.557   7.184
  606   2HD2  LEU  23          HD22      LEU 123 134.468  -1.880   6.072
  607   3HD2  LEU  23          HD23      LEU 123 133.640  -0.430   5.503
  608    H    SER  24           HN       SER 124 139.142  -1.294   4.180
  609    HA   SER  24           HA       SER 124 140.096  -0.314   6.622
  610   1HB   SER  24          HB2       SER 124 142.278  -1.561   5.412
  611   2HB   SER  24          HB1       SER 124 141.078  -2.324   6.455
  612    HG   SER  24           HG       SER 124 141.432  -2.523   3.741
  613    H    THR  25           HN       THR 125 140.652   0.814   3.373
  614    HA   THR  25           HA       THR 125 143.109   2.143   3.932
  615    HB   THR  25           HB       THR 125 141.014   2.627   1.817
  616    HG1  THR  25           HG1      THR 125 143.511   1.312   1.871
  617   1HG2  THR  25          HG21      THR 125 141.970   4.553   1.313
  618   2HG2  THR  25          HG22      THR 125 143.433   3.653   0.914
  619   3HG2  THR  25          HG23      THR 125 143.222   4.321   2.533
  620    H    PHE  26           HN       PHE 126 139.826   2.611   4.674
  621    HA   PHE  26           HA       PHE 126 140.097   5.432   5.361
  622   1HB   PHE  26          HB2       PHE 126 137.753   3.629   4.925
  623   2HB   PHE  26          HB1       PHE 126 137.559   5.183   5.712
  624    HD1  PHE  26           HD1      PHE 126 138.857   3.582   2.610
  625    HD2  PHE  26           HD2      PHE 126 137.373   7.157   4.389
  626    HE1  PHE  26           HE1      PHE 126 138.809   4.663   0.392
  627    HE2  PHE  26           HE2      PHE 126 137.314   8.235   2.174
  628    HZ   PHE  26           HZ       PHE 126 138.033   6.989   0.157
  629    H    LEU  27           HN       LEU 127 140.473   2.496   6.870
  630    HA   LEU  27           HA       LEU 127 139.694   3.635   9.474
  631   1HB   LEU  27          HB2       LEU 127 140.370   0.751   9.200
  632   2HB   LEU  27          HB1       LEU 127 139.242   1.536  10.288
  633    HG   LEU  27           HG       LEU 127 138.777   1.090   7.343
  634   1HD1  LEU  27          HD11      LEU 127 136.937  -0.220   9.071
  635   2HD1  LEU  27          HD12      LEU 127 138.583  -0.721   9.471
  636   3HD1  LEU  27          HD13      LEU 127 137.979  -0.912   7.824
  637   1HD2  LEU  27          HD21      LEU 127 137.439   2.721   9.321
  638   2HD2  LEU  27          HD22      LEU 127 136.365   1.505   8.623
  639   3HD2  LEU  27          HD23      LEU 127 137.209   2.650   7.572
  Start of MODEL    5
    1   1H    GLY   1           HT1      GLY   1 128.413  -6.433 -14.795
    2   2H    GLY   1           HT2      GLY   1 127.100  -5.370 -14.709
    3   3H    GLY   1           HT3      GLY   1 127.297  -6.566 -13.530
    4   1HA   GLY   1          HA1       GLY   1 129.341  -5.521 -12.768
    5   2HA   GLY   1          HA2       GLY   1 129.133  -4.282 -13.995
    6    H    TYR   2           HN       TYR   2 126.801  -5.761 -11.779
    7    HA   TYR   2           HA       TYR   2 126.419  -3.210 -10.430
    8   1HB   TYR   2          HB2       TYR   2 124.589  -4.621 -12.173
    9   2HB   TYR   2          HB1       TYR   2 123.867  -4.203 -10.640
   10    HD1  TYR   2           HD1      TYR   2 122.358  -3.007 -12.405
   11    HD2  TYR   2           HD2      TYR   2 126.311  -1.824 -11.460
   12    HE1  TYR   2           HE1      TYR   2 121.892  -0.769 -13.304
   13    HE2  TYR   2           HE2      TYR   2 125.875   0.423 -12.363
   14    HH   TYR   2           HH       TYR   2 123.810   1.880 -12.744
   15    H    ILE   3           HN       ILE   3 125.704  -3.398  -8.223
   16    HA   ILE   3           HA       ILE   3 125.841  -6.150  -7.153
   17    HB   ILE   3           HB       ILE   3 125.848  -4.841  -4.897
   18   1HG1  ILE   3          HG12      ILE   3 127.048  -2.828  -6.794
   19   2HG1  ILE   3          HG11      ILE   3 125.603  -2.652  -5.816
   20   1HG2  ILE   3          HG21      ILE   3 128.490  -4.585  -5.451
   21   2HG2  ILE   3          HG22      ILE   3 127.955  -5.737  -6.670
   22   3HG2  ILE   3          HG23      ILE   3 127.673  -6.074  -4.966
   23   1HD1  ILE   3          HD11      ILE   3 128.438  -2.565  -4.994
   24   2HD1  ILE   3          HD12      ILE   3 127.232  -3.135  -3.843
   25   3HD1  ILE   3          HD13      ILE   3 127.092  -1.520  -4.535
   26    HA   PRO   4           HA       PRO   4 121.709  -5.739  -5.651
   27   1HB   PRO   4          HB2       PRO   4 121.737  -7.760  -3.808
   28   2HB   PRO   4          HB1       PRO   4 121.685  -8.057  -5.547
   29   1HG   PRO   4          HG2       PRO   4 123.862  -8.525  -3.673
   30   2HG   PRO   4          HG1       PRO   4 123.705  -9.063  -5.350
   31   1HD   PRO   4          HD2       PRO   4 125.224  -6.811  -4.274
   32   2HD   PRO   4          HD1       PRO   4 125.268  -7.519  -5.902
   33    H    GLU   5           HN       GLU   5 120.605  -4.657  -4.295
   34    HA   GLU   5           HA       GLU   5 121.666  -2.847  -2.553
   35   1HB   GLU   5          HB2       GLU   5 119.473  -2.553  -3.488
   36   2HB   GLU   5          HB1       GLU   5 118.868  -3.987  -2.672
   37   1HG   GLU   5          HG2       GLU   5 118.391  -2.847  -0.821
   38   2HG   GLU   5          HG1       GLU   5 119.977  -2.079  -0.799
   39    H    ALA   6           HN       ALA   6 121.846  -2.559  -0.409
   40    HA   ALA   6           HA       ALA   6 122.073  -4.923   1.272
   41   1HB   ALA   6          HB1       ALA   6 122.585  -2.303   2.488
   42   2HB   ALA   6          HB2       ALA   6 123.574  -2.656   1.071
   43   3HB   ALA   6          HB3       ALA   6 123.589  -3.752   2.454
   44    HA   PRO   7           HA       PRO   7 118.281  -4.710   3.586
   45   1HB   PRO   7          HB2       PRO   7 120.015  -4.542   5.998
   46   2HB   PRO   7          HB1       PRO   7 118.675  -5.638   5.639
   47   1HG   PRO   7          HG2       PRO   7 121.176  -6.498   5.478
   48   2HG   PRO   7          HG1       PRO   7 119.977  -6.989   4.266
   49   1HD   PRO   7          HD2       PRO   7 122.181  -4.986   4.052
   50   2HD   PRO   7          HD1       PRO   7 121.558  -6.113   2.832
   51    H    ARG   8           HN       ARG   8 116.965  -3.358   4.843
   52    HA   ARG   8           HA       ARG   8 117.994  -0.636   5.249
   53   1HB   ARG   8          HB2       ARG   8 115.393  -1.691   4.359
   54   2HB   ARG   8          HB1       ARG   8 115.415  -0.173   5.206
   55   1HG   ARG   8          HG2       ARG   8 115.821   0.833   3.288
   56   2HG   ARG   8          HG1       ARG   8 117.403   0.055   3.277
   57   1HD   ARG   8          HD2       ARG   8 115.750  -0.215   1.263
   58   2HD   ARG   8          HD1       ARG   8 116.750  -1.557   1.798
   59    HE   ARG   8           HE       ARG   8 113.868  -1.248   2.268
   60   1HH1  ARG   8          HH11      ARG   8 116.749  -3.228   2.376
   61   2HH1  ARG   8          HH12      ARG   8 115.875  -4.697   2.639
   62   1HH2  ARG   8          HH21      ARG   8 112.728  -3.185   2.622
   63   2HH2  ARG   8          HH22      ARG   8 113.598  -4.674   2.779
   64    H    ASP   9           HN       ASP   9 118.671  -1.977   7.307
   65    HA   ASP   9           HA       ASP   9 116.541  -1.776   9.341
   66   1HB   ASP   9          HB2       ASP   9 118.013  -3.153  10.757
   67   2HB   ASP   9          HB1       ASP   9 117.617  -3.967   9.246
   68    H    GLY  10           HN       GLY  10 118.537   0.296   8.109
   69   1HA   GLY  10          HA2       GLY  10 119.293   2.305   8.965
   70   2HA   GLY  10          HA1       GLY  10 118.875   1.757  10.572
   71    H    GLN  11           HN       GLN  11 120.829  -0.455   8.841
   72    HA   GLN  11           HA       GLN  11 123.130   0.472  10.401
   73   1HB   GLN  11          HB2       GLN  11 122.123  -2.164   9.836
   74   2HB   GLN  11          HB1       GLN  11 123.797  -2.031   9.419
   75   1HG   GLN  11          HG2       GLN  11 124.440  -1.700  11.596
   76   2HG   GLN  11          HG1       GLN  11 122.876  -1.035  12.066
   77   1HE2  GLN  11          HE21      GLN  11 122.194  -2.313  13.643
   78   2HE2  GLN  11          HE22      GLN  11 122.056  -4.033  13.558
   79    H    ALA  12           HN       ALA  12 125.212   0.308   9.429
   80    HA   ALA  12           HA       ALA  12 125.098   0.973   6.599
   81   1HB   ALA  12          HB1       ALA  12 127.652   1.411   7.922
   82   2HB   ALA  12          HB2       ALA  12 126.313   2.240   8.708
   83   3HB   ALA  12          HB3       ALA  12 126.644   2.532   7.003
   84    H    TYR  13           HN       TYR  13 126.019  -0.085   5.069
   85    HA   TYR  13           HA       TYR  13 127.583  -2.463   5.795
   86   1HB   TYR  13          HB2       TYR  13 125.592  -2.052   3.614
   87   2HB   TYR  13          HB1       TYR  13 126.709  -3.360   3.607
   88    HD1  TYR  13           HD1      TYR  13 123.605  -2.191   4.749
   89    HD2  TYR  13           HD2      TYR  13 126.658  -4.951   5.617
   90    HE1  TYR  13           HE1      TYR  13 122.036  -3.454   6.155
   91    HE2  TYR  13           HE2      TYR  13 125.126  -6.230   7.061
   92    HH   TYR  13           HH       TYR  13 121.721  -5.552   7.148
   93    H    VAL  14           HN       VAL  14 129.123  -3.111   4.465
   94    HA   VAL  14           HA       VAL  14 130.368  -1.112   2.691
   95    HB   VAL  14           HB       VAL  14 131.889  -3.364   3.856
   96   1HG1  VAL  14          HG11      VAL  14 132.841  -1.340   2.581
   97   2HG1  VAL  14          HG12      VAL  14 133.674  -1.853   4.038
   98   3HG1  VAL  14          HG13      VAL  14 132.594  -0.456   4.082
   99   1HG2  VAL  14          HG21      VAL  14 131.098  -1.126   5.682
  100   2HG2  VAL  14          HG22      VAL  14 131.937  -2.622   6.087
  101   3HG2  VAL  14          HG23      VAL  14 130.246  -2.659   5.628
  102    H    ARG  15           HN       ARG  15 131.440  -2.090   0.791
  103    HA   ARG  15           HA       ARG  15 129.937  -4.499   0.067
  104   1HB   ARG  15          HB2       ARG  15 130.231  -2.067  -1.190
  105   2HB   ARG  15          HB1       ARG  15 131.358  -3.041  -2.045
  106   1HG   ARG  15          HG2       ARG  15 128.428  -3.138  -2.006
  107   2HG   ARG  15          HG1       ARG  15 129.524  -3.314  -3.356
  108   1HD   ARG  15          HD2       ARG  15 129.596  -5.480  -1.388
  109   2HD   ARG  15          HD1       ARG  15 128.075  -5.260  -2.242
  110    HE   ARG  15           HE       ARG  15 129.222  -5.638  -4.295
  111   1HH1  ARG  15          HH11      ARG  15 131.089  -6.388  -1.494
  112   2HH1  ARG  15          HH12      ARG  15 132.355  -7.152  -2.382
  113   1HH2  ARG  15          HH21      ARG  15 130.858  -6.668  -5.479
  114   2HH2  ARG  15          HH22      ARG  15 132.213  -7.340  -4.638
  115    H    LYS  16           HN       LYS  16 130.949  -6.196   0.508
  116    HA   LYS  16           HA       LYS  16 133.659  -6.647  -0.467
  117   1HB   LYS  16          HB2       LYS  16 134.568  -6.893   1.554
  118   2HB   LYS  16          HB1       LYS  16 133.091  -6.252   2.239
  119   1HG   LYS  16          HG2       LYS  16 132.235  -8.449   2.618
  120   2HG   LYS  16          HG1       LYS  16 133.555  -9.178   1.697
  121   1HD   LYS  16          HD2       LYS  16 134.415  -7.436   3.909
  122   2HD   LYS  16          HD1       LYS  16 133.543  -8.889   4.415
  123   1HE   LYS  16          HE2       LYS  16 135.805  -8.917   2.490
  124   2HE   LYS  16          HE1       LYS  16 136.071  -9.048   4.210
  125   1HZ   LYS  16          HZ1       LYS  16 135.896 -11.232   3.778
  126   2HZ   LYS  16          HZ2       LYS  16 135.000 -11.012   2.366
  127   3HZ   LYS  16          HZ3       LYS  16 134.234 -10.932   3.868
  128    H    ASP  17           HN       ASP  17 133.793  -8.542  -1.570
  129    HA   ASP  17           HA       ASP  17 133.212 -10.558  -2.458
  130   1HB   ASP  17          HB2       ASP  17 131.866 -11.739  -0.200
  131   2HB   ASP  17          HB1       ASP  17 133.434 -12.098  -0.871
  132    H    GLY  18           HN       GLY  18 131.349  -8.683  -3.162
  133   1HA   GLY  18          HA2       GLY  18 129.256  -8.510  -4.054
  134   2HA   GLY  18          HA1       GLY  18 129.205 -10.259  -3.985
  135    H    GLU  19           HN       GLU  19 129.622  -8.710  -0.902
  136    HA   GLU  19           HA       GLU  19 126.742  -8.899  -0.449
  137   1HB   GLU  19          HB2       GLU  19 128.981 -10.092   1.165
  138   2HB   GLU  19          HB1       GLU  19 127.363  -9.892   1.786
  139   1HG   GLU  19          HG2       GLU  19 126.758 -11.203  -0.440
  140   2HG   GLU  19          HG1       GLU  19 128.401 -11.799  -0.211
  141    H    TRP  20           HN       TRP  20 126.048  -7.866   1.531
  142    HA   TRP  20           HA       TRP  20 127.574  -5.428   1.973
  143   1HB   TRP  20          HB2       TRP  20 124.671  -6.081   2.558
  144   2HB   TRP  20          HB1       TRP  20 125.462  -4.594   3.037
  145    HD1  TRP  20           HD1      TRP  20 123.528  -5.889   0.189
  146    HE1  TRP  20           HE1      TRP  20 123.912  -4.398  -1.905
  147    HE3  TRP  20           HE3      TRP  20 127.564  -3.208   1.799
  148    HZ2  TRP  20           HZ2      TRP  20 125.660  -2.403  -2.706
  149    HZ3  TRP  20           HZ3      TRP  20 128.517  -1.527   0.304
  150    HH2  TRP  20           HH2      TRP  20 127.590  -1.170  -1.915
  151    H    VAL  21           HN       VAL  21 128.945  -5.490   3.582
  152    HA   VAL  21           HA       VAL  21 128.258  -7.085   5.954
  153    HB   VAL  21           HB       VAL  21 130.969  -5.918   5.378
  154   1HG1  VAL  21          HG11      VAL  21 129.807  -7.280   7.589
  155   2HG1  VAL  21          HG12      VAL  21 131.437  -6.632   7.415
  156   3HG1  VAL  21          HG13      VAL  21 131.087  -8.284   6.911
  157   1HG2  VAL  21          HG21      VAL  21 130.196  -8.776   4.830
  158   2HG2  VAL  21          HG22      VAL  21 131.750  -7.999   4.522
  159   3HG2  VAL  21          HG23      VAL  21 130.332  -7.541   3.579
  160    H    LEU  22           HN       LEU  22 128.268  -6.218   7.923
  161    HA   LEU  22           HA       LEU  22 127.521  -3.582   8.223
  162   1HB   LEU  22          HB2       LEU  22 128.185  -5.799   9.962
  163   2HB   LEU  22          HB1       LEU  22 128.433  -4.216  10.673
  164    HG   LEU  22           HG       LEU  22 125.875  -5.380   9.615
  165   1HD1  LEU  22          HD11      LEU  22 126.150  -6.005  11.820
  166   2HD1  LEU  22          HD12      LEU  22 125.193  -4.528  11.935
  167   3HD1  LEU  22          HD13      LEU  22 126.925  -4.481  12.247
  168   1HD2  LEU  22          HD21      LEU  22 125.705  -3.207   8.792
  169   2HD2  LEU  22          HD22      LEU  22 126.596  -2.521  10.156
  170   3HD2  LEU  22          HD23      LEU  22 124.950  -3.113  10.385
  171    H    LEU  23           HN       LEU  23 128.555  -1.759   8.249
  172    HA   LEU  23           HA       LEU  23 131.299  -1.443   7.801
  173   1HB   LEU  23          HB2       LEU  23 129.608   0.228   7.294
  174   2HB   LEU  23          HB1       LEU  23 129.242   0.420   8.983
  175    HG   LEU  23           HG       LEU  23 131.125   1.688   9.407
  176   1HD1  LEU  23          HD11      LEU  23 133.108   1.801   8.095
  177   2HD1  LEU  23          HD12      LEU  23 132.392   0.804   6.825
  178   3HD1  LEU  23          HD13      LEU  23 132.752   0.101   8.401
  179   1HD2  LEU  23          HD21      LEU  23 131.086   3.445   7.861
  180   2HD2  LEU  23          HD22      LEU  23 129.488   2.711   7.788
  181   3HD2  LEU  23          HD23      LEU  23 130.676   2.372   6.528
  182    H    SER  24           HN       SER  24 129.399  -1.326  10.767
  183    HA   SER  24           HA       SER  24 131.439  -0.408  12.473
  184   1HB   SER  24          HB2       SER  24 130.035  -1.168  14.300
  185   2HB   SER  24          HB1       SER  24 129.028  -0.416  13.064
  186    HG   SER  24           HG       SER  24 129.128  -2.940  12.417
  187    H    THR  25           HN       THR  25 130.985  -3.504  11.004
  188    HA   THR  25           HA       THR  25 132.367  -5.014  12.987
  189    HB   THR  25           HB       THR  25 131.793  -5.499  10.074
  190    HG1  THR  25           HG1      THR  25 130.866  -6.584  12.511
  191   1HG2  THR  25          HG21      THR  25 133.719  -6.920  11.739
  192   2HG2  THR  25          HG22      THR  25 133.484  -6.941   9.990
  193   3HG2  THR  25          HG23      THR  25 132.476  -7.950  11.028
  194    H    PHE  26           HN       PHE  26 133.229  -2.749  10.617
  195    HA   PHE  26           HA       PHE  26 136.042  -3.502  10.484
  196   1HB   PHE  26          HB2       PHE  26 134.370  -1.509   8.988
  197   2HB   PHE  26          HB1       PHE  26 136.096  -1.636   8.780
  198    HD1  PHE  26           HD1      PHE  26 132.888  -3.329   8.253
  199    HD2  PHE  26           HD2      PHE  26 137.083  -3.469   7.553
  200    HE1  PHE  26           HE1      PHE  26 132.543  -5.102   6.591
  201    HE2  PHE  26           HE2      PHE  26 136.754  -5.252   5.892
  202    HZ   PHE  26           HZ       PHE  26 134.492  -6.091   5.389
  203    H    LEU  27           HN       LEU  27 134.153  -1.675  12.489
  204    HA   LEU  27           HA       LEU  27 136.376   0.180  13.000
  205   1HB   LEU  27          HB2       LEU  27 133.562   0.668  13.903
  206   2HB   LEU  27          HB1       LEU  27 134.859   1.826  13.664
  207    HG   LEU  27           HG       LEU  27 133.581   0.315  11.389
  208   1HD1  LEU  27          HD11      LEU  27 132.384   2.306  12.951
  209   2HD1  LEU  27          HD12      LEU  27 131.857   1.686  11.384
  210   3HD1  LEU  27          HD13      LEU  27 132.935   3.082  11.465
  211   1HD2  LEU  27          HD21      LEU  27 135.520   1.127  10.520
  212   2HD2  LEU  27          HD22      LEU  27 135.595   2.477  11.654
  213   3HD2  LEU  27          HD23      LEU  27 134.470   2.530  10.292
  214   1H    GLY   1           HT1      GLY  51 116.340  -4.911  -7.147
  215   2H    GLY   1           HT2      GLY  51 116.064  -4.333  -5.581
  216   3H    GLY   1           HT3      GLY  51 115.210  -5.678  -6.149
  217   1HA   GLY   1          HA1       GLY  51 116.914  -6.423  -4.661
  218   2HA   GLY   1          HA2       GLY  51 117.274  -6.944  -6.298
  219    H    TYR   2           HN       TYR  52 118.172  -4.363  -7.232
  220    HA   TYR   2           HA       TYR  52 120.764  -4.311  -5.850
  221   1HB   TYR   2          HB2       TYR  52 120.032  -3.695  -8.705
  222   2HB   TYR   2          HB1       TYR  52 121.555  -3.179  -8.005
  223    HD1  TYR   2           HD1      TYR  52 122.886  -4.433  -9.509
  224    HD2  TYR   2           HD2      TYR  52 120.004  -6.424  -7.118
  225    HE1  TYR   2           HE1      TYR  52 123.907  -6.593 -10.088
  226    HE2  TYR   2           HE2      TYR  52 121.017  -8.587  -7.676
  227    HH   TYR   2           HH       TYR  52 122.438  -9.508  -9.621
  228    H    ILE   3           HN       ILE  53 121.845  -2.320  -5.453
  229    HA   ILE   3           HA       ILE  53 120.022  -0.151  -4.765
  230    HB   ILE   3           HB       ILE  53 122.136   0.970  -3.924
  231   1HG1  ILE   3          HG12      ILE  53 123.197  -1.841  -4.196
  232   2HG1  ILE   3          HG11      ILE  53 123.756  -0.404  -5.039
  233   1HG2  ILE   3          HG21      ILE  53 120.684  -1.271  -2.750
  234   2HG2  ILE   3          HG22      ILE  53 120.892   0.361  -2.184
  235   3HG2  ILE   3          HG23      ILE  53 122.169  -0.817  -1.934
  236   1HD1  ILE   3          HD11      ILE  53 125.313  -0.561  -3.386
  237   2HD1  ILE   3          HD12      ILE  53 124.152  -1.194  -2.217
  238   3HD1  ILE   3          HD13      ILE  53 124.130   0.513  -2.640
  239    HA   PRO   4           HA       PRO  54 121.512   2.510  -7.928
  240   1HB   PRO   4          HB2       PRO  54 120.696   4.902  -6.964
  241   2HB   PRO   4          HB1       PRO  54 119.543   3.688  -7.529
  242   1HG   PRO   4          HG2       PRO  54 120.176   4.534  -4.778
  243   2HG   PRO   4          HG1       PRO  54 118.716   3.756  -5.407
  244   1HD   PRO   4          HD2       PRO  54 120.921   2.541  -4.020
  245   2HD   PRO   4          HD1       PRO  54 119.457   1.758  -4.645
  246    H    GLU   5           HN       GLU  55 123.100   3.938  -8.490
  247    HA   GLU   5           HA       GLU  55 125.474   3.760  -7.107
  248   1HB   GLU   5          HB2       GLU  55 125.616   4.138  -9.409
  249   2HB   GLU   5          HB1       GLU  55 124.556   5.536  -9.341
  250   1HG   GLU   5          HG2       GLU  55 126.357   6.797  -9.371
  251   2HG   GLU   5          HG1       GLU  55 126.737   6.233  -7.757
  252    H    ALA   6           HN       ALA  56 126.708   5.079  -5.888
  253    HA   ALA   6           HA       ALA  56 125.341   7.032  -4.249
  254   1HB   ALA   6          HB1       ALA  56 127.316   5.207  -3.758
  255   2HB   ALA   6          HB2       ALA  56 126.895   6.556  -2.704
  256   3HB   ALA   6          HB3       ALA  56 128.221   6.718  -3.851
  257    HA   PRO   7           HA       PRO  57 126.686  10.871  -5.969
  258   1HB   PRO   7          HB2       PRO  57 127.972  11.538  -3.382
  259   2HB   PRO   7          HB1       PRO  57 126.725  12.408  -4.281
  260   1HG   PRO   7          HG2       PRO  57 126.123  11.048  -2.070
  261   2HG   PRO   7          HG1       PRO  57 125.017  11.079  -3.456
  262   1HD   PRO   7          HD2       PRO  57 126.875   8.916  -2.557
  263   2HD   PRO   7          HD1       PRO  57 125.241   8.789  -3.240
  264    H    ARG   8           HN       ARG  58 128.459  11.965  -6.807
  265    HA   ARG   8           HA       ARG  58 131.054  10.635  -6.454
  266   1HB   ARG   8          HB2       ARG  58 129.704  11.820  -8.784
  267   2HB   ARG   8          HB1       ARG  58 131.454  11.818  -8.738
  268   1HG   ARG   8          HG2       ARG  58 130.746   9.882  -9.925
  269   2HG   ARG   8          HG1       ARG  58 131.381   9.362  -8.373
  270   1HD   ARG   8          HD2       ARG  58 129.488   8.239  -8.076
  271   2HD   ARG   8          HD1       ARG  58 128.679   9.792  -7.913
  272    HE   ARG   8           HE       ARG  58 128.973   8.470 -10.526
  273   1HH1  ARG   8          HH11      ARG  58 126.979  10.005  -8.092
  274   2HH1  ARG   8          HH12      ARG  58 125.560   9.994  -9.079
  275   1HH2  ARG   8          HH21      ARG  58 127.097   8.456 -11.811
  276   2HH2  ARG   8          HH22      ARG  58 125.624   9.116 -11.184
  277    H    ASP   9           HN       ASP  59 130.842  12.276  -4.535
  278    HA   ASP   9           HA       ASP  59 131.905  14.908  -5.339
  279   1HB   ASP   9          HB2       ASP  59 131.404  15.542  -2.966
  280   2HB   ASP   9          HB1       ASP  59 129.990  15.122  -3.924
  281    H    GLY  10           HN       GLY  60 133.296  12.152  -4.914
  282   1HA   GLY  10          HA2       GLY  60 135.518  11.686  -4.407
  283   2HA   GLY  10          HA1       GLY  60 135.682  13.314  -3.781
  284    H    GLN  11           HN       GLN  61 133.044  11.584  -2.490
  285    HA   GLN  11           HA       GLN  61 134.621  11.041  -0.069
  286   1HB   GLN  11          HB2       GLN  61 132.094  12.356  -0.474
  287   2HB   GLN  11          HB1       GLN  61 131.957  11.106   0.689
  288   1HG   GLN  11          HG2       GLN  61 133.663  13.578   0.764
  289   2HG   GLN  11          HG1       GLN  61 132.386  13.114   1.854
  290   1HE2  GLN  11          HE21      GLN  61 135.764  12.695   1.151
  291   2HE2  GLN  11          HE22      GLN  61 136.146  11.792   2.560
  292    H    ALA  12           HN       ALA  62 134.035   9.273   1.173
  293    HA   ALA  12           HA       ALA  62 133.063   7.012  -0.389
  294   1HB   ALA  12          HB1       ALA  62 134.620   5.824   0.657
  295   2HB   ALA  12          HB2       ALA  62 133.989   6.301   2.233
  296   3HB   ALA  12          HB3       ALA  62 135.175   7.316   1.417
  297    H    TYR  13           HN       TYR  63 131.354   5.949  -0.045
  298    HA   TYR  13           HA       TYR  63 129.694   6.709   2.248
  299   1HB   TYR  13          HB2       TYR  63 128.870   5.989  -0.514
  300   2HB   TYR  13          HB1       TYR  63 127.788   6.018   0.799
  301    HD1  TYR  13           HD1      TYR  63 129.438   7.934  -1.645
  302    HD2  TYR  13           HD2      TYR  63 127.401   8.191   2.022
  303    HE1  TYR  13           HE1      TYR  63 129.112  10.342  -2.018
  304    HE2  TYR  13           HE2      TYR  63 127.074  10.609   1.702
  305    HH   TYR  13           HH       TYR  63 128.637  12.341  -0.851
  306    H    VAL  14           HN       VAL  64 128.390   5.190   3.077
  307    HA   VAL  14           HA       VAL  64 129.117   2.424   2.498
  308    HB   VAL  14           HB       VAL  64 129.862   2.651   4.616
  309   1HG1  VAL  14          HG11      VAL  64 129.364   4.959   4.977
  310   2HG1  VAL  14          HG12      VAL  64 128.911   4.020   6.391
  311   3HG1  VAL  14          HG13      VAL  64 127.670   4.570   5.272
  312   1HG2  VAL  14          HG21      VAL  64 128.304   1.701   6.184
  313   2HG2  VAL  14          HG22      VAL  64 128.232   0.907   4.625
  314   3HG2  VAL  14          HG23      VAL  64 126.977   2.051   5.079
  315    H    ARG  15           HN       ARG  65 127.314   0.926   2.819
  316    HA   ARG  15           HA       ARG  65 124.943   2.338   1.860
  317   1HB   ARG  15          HB2       ARG  65 126.328   0.233   0.792
  318   2HB   ARG  15          HB1       ARG  65 125.037  -0.597   1.569
  319   1HG   ARG  15          HG2       ARG  65 125.054   0.801  -0.903
  320   2HG   ARG  15          HG1       ARG  65 123.801  -0.224  -0.241
  321   1HD   ARG  15          HD2       ARG  65 123.200   1.867   1.144
  322   2HD   ARG  15          HD1       ARG  65 124.173   2.727  -0.039
  323    HE   ARG  15           HE       ARG  65 122.569   2.263  -1.672
  324   1HH1  ARG  15          HH11      ARG  65 121.712   0.652   1.280
  325   2HH1  ARG  15          HH12      ARG  65 120.023   0.621   0.921
  326   1HH2  ARG  15          HH21      ARG  65 120.369   2.336  -2.123
  327   2HH2  ARG  15          HH22      ARG  65 119.245   1.611  -1.029
  328    H    LYS  16           HN       LYS  66 123.615   2.838   3.302
  329    HA   LYS  16           HA       LYS  66 122.704   0.897   5.296
  330   1HB   LYS  16          HB2       LYS  66 124.131   2.122   6.630
  331   2HB   LYS  16          HB1       LYS  66 123.859   3.607   5.751
  332   1HG   LYS  16          HG2       LYS  66 122.065   4.177   7.003
  333   2HG   LYS  16          HG1       LYS  66 121.551   2.503   7.242
  334   1HD   LYS  16          HD2       LYS  66 122.868   2.234   9.087
  335   2HD   LYS  16          HD1       LYS  66 124.144   3.271   8.462
  336   1HE   LYS  16          HE2       LYS  66 121.640   4.635   9.106
  337   2HE   LYS  16          HE1       LYS  66 122.460   3.931  10.488
  338   1HZ   LYS  16          HZ1       LYS  66 123.765   5.733   8.525
  339   2HZ   LYS  16          HZ2       LYS  66 124.407   5.184   9.990
  340   3HZ   LYS  16          HZ3       LYS  66 123.101   6.258   9.990
  341    H    ASP  17           HN       ASP  67 120.565   0.825   5.539
  342    HA   ASP  17           HA       ASP  67 118.369   1.170   5.116
  343   1HB   ASP  17          HB2       ASP  67 117.735   3.625   5.818
  344   2HB   ASP  17          HB1       ASP  67 118.250   2.442   6.993
  345    H    GLY  18           HN       GLY  68 119.552   1.261   2.653
  346   1HA   GLY  18          HA2       GLY  68 118.801   1.767   0.529
  347   2HA   GLY  18          HA1       GLY  68 117.576   2.778   1.251
  348    H    GLU  19           HN       GLU  69 120.375   3.983   2.528
  349    HA   GLU  19           HA       GLU  69 120.751   5.770   0.239
  350   1HB   GLU  19          HB2       GLU  69 121.302   7.032   2.777
  351   2HB   GLU  19          HB1       GLU  69 120.225   7.530   1.492
  352   1HG   GLU  19          HG2       GLU  69 118.401   6.397   2.410
  353   2HG   GLU  19          HG1       GLU  69 119.429   5.436   3.472
  354    H    TRP  20           HN       TRP  70 122.806   6.934   0.248
  355    HA   TRP  20           HA       TRP  70 125.009   5.235   1.164
  356   1HB   TRP  20          HB2       TRP  70 124.921   7.542  -0.818
  357   2HB   TRP  20          HB1       TRP  70 126.392   6.758  -0.280
  358    HD1  TRP  20           HD1      TRP  70 123.781   6.361  -2.901
  359    HE1  TRP  20           HE1      TRP  70 124.054   4.040  -4.038
  360    HE3  TRP  20           HE3      TRP  70 127.013   4.215   0.407
  361    HZ2  TRP  20           HZ2      TRP  70 125.455   1.679  -3.559
  362    HZ3  TRP  20           HZ3      TRP  70 127.763   1.914  -0.003
  363    HH2  TRP  20           HH2      TRP  70 126.993   0.691  -1.952
  364    H    VAL  21           HN       VAL  71 125.834   5.683   3.061
  365    HA   VAL  21           HA       VAL  71 125.805   8.478   4.009
  366    HB   VAL  21           HB       VAL  71 126.336   6.106   5.768
  367   1HG1  VAL  21          HG11      VAL  71 125.950   7.588   7.561
  368   2HG1  VAL  21          HG12      VAL  71 125.281   8.820   6.491
  369   3HG1  VAL  21          HG13      VAL  71 127.001   8.436   6.427
  370   1HG2  VAL  21          HG21      VAL  71 123.872   6.769   6.563
  371   2HG2  VAL  21          HG22      VAL  71 124.182   5.503   5.376
  372   3HG2  VAL  21          HG23      VAL  71 123.714   7.116   4.841
  373    H    LEU  22           HN       LEU  72 127.541   9.451   4.579
  374    HA   LEU  22           HA       LEU  72 129.970   8.788   3.478
  375   1HB   LEU  22          HB2       LEU  72 128.870  10.828   5.167
  376   2HB   LEU  22          HB1       LEU  72 130.507  10.435   5.685
  377    HG   LEU  22           HG       LEU  72 129.582  11.527   3.047
  378   1HD1  LEU  22          HD11      LEU  72 130.349  13.399   3.975
  379   2HD1  LEU  22          HD12      LEU  72 131.969  12.716   3.793
  380   3HD1  LEU  22          HD13      LEU  72 131.091  12.520   5.314
  381   1HD2  LEU  22          HD21      LEU  72 131.927   9.801   3.595
  382   2HD2  LEU  22          HD22      LEU  72 132.122  11.174   2.518
  383   3HD2  LEU  22          HD23      LEU  72 130.929   9.943   2.145
  384    H    LEU  23           HN       LEU  73 131.501   7.384   3.980
  385    HA   LEU  23           HA       LEU  73 131.292   5.598   6.135
  386   1HB   LEU  23          HB2       LEU  73 132.705   5.397   3.975
  387   2HB   LEU  23          HB1       LEU  73 133.920   6.262   4.843
  388    HG   LEU  23           HG       LEU  73 132.960   3.540   5.212
  389   1HD1  LEU  23          HD11      LEU  73 135.373   4.857   4.443
  390   2HD1  LEU  23          HD12      LEU  73 134.924   3.159   4.288
  391   3HD1  LEU  23          HD13      LEU  73 135.648   3.745   5.781
  392   1HD2  LEU  23          HD21      LEU  73 132.633   4.380   7.396
  393   2HD2  LEU  23          HD22      LEU  73 134.167   5.238   7.340
  394   3HD2  LEU  23          HD23      LEU  73 134.147   3.476   7.401
  395    H    SER  24           HN       SER  74 133.220   8.558   5.735
  396    HA   SER  24           HA       SER  74 134.719   8.541   8.024
  397   1HB   SER  24          HB2       SER  74 135.035  10.309   6.456
  398   2HB   SER  24          HB1       SER  74 133.360  10.840   6.615
  399    HG   SER  24           HG       SER  74 133.798  11.645   8.608
  400    H    THR  25           HN       THR  75 131.261   8.955   7.752
  401    HA   THR  25           HA       THR  75 130.863  10.177  10.278
  402    HB   THR  25           HB       THR  75 129.055   8.627   8.445
  403    HG1  THR  25           HG1      THR  75 129.503  11.312   9.083
  404   1HG2  THR  25          HG21      THR  75 128.497   9.471  11.223
  405   2HG2  THR  25          HG22      THR  75 127.846   8.126  10.282
  406   3HG2  THR  25          HG23      THR  75 127.256   9.765  10.004
  407    H    PHE  26           HN       PHE  76 131.623   7.008   9.273
  408    HA   PHE  26           HA       PHE  76 130.749   5.773  11.758
  409   1HB   PHE  26          HB2       PHE  76 131.691   4.667   9.127
  410   2HB   PHE  26          HB1       PHE  76 131.431   3.650  10.526
  411    HD1  PHE  26           HD1      PHE  76 129.862   5.453   7.820
  412    HD2  PHE  26           HD2      PHE  76 129.114   3.519  11.535
  413    HE1  PHE  26           HE1      PHE  76 127.470   5.452   7.325
  414    HE2  PHE  26           HE2      PHE  76 126.705   3.491  11.036
  415    HZ   PHE  26           HZ       PHE  76 125.857   4.463   8.930
  416    H    LEU  27           HN       LEU  77 133.461   7.322  10.677
  417    HA   LEU  27           HA       LEU  77 135.222   5.655  12.347
  418   1HB   LEU  27          HB2       LEU  77 136.354   7.735  10.558
  419   2HB   LEU  27          HB1       LEU  77 137.003   6.170  11.011
  420    HG   LEU  27           HG       LEU  77 134.783   6.653   9.024
  421   1HD1  LEU  27          HD11      LEU  77 136.313   6.677   7.425
  422   2HD1  LEU  27          HD12      LEU  77 137.130   5.267   8.108
  423   3HD1  LEU  27          HD13      LEU  77 137.522   6.885   8.695
  424   1HD2  LEU  27          HD21      LEU  77 135.767   4.076   8.737
  425   2HD2  LEU  27          HD22      LEU  77 134.203   4.545   9.414
  426   3HD2  LEU  27          HD23      LEU  77 135.585   4.290  10.480
  427   1H    GLY   1           HT1      GLY 101 122.542   3.994 -12.845
  428   2H    GLY   1           HT2      GLY 101 122.367   5.676 -12.827
  429   3H    GLY   1           HT3      GLY 101 121.249   4.720 -13.662
  430   1HA   GLY   1          HA1       GLY 101 120.840   5.667 -11.205
  431   2HA   GLY   1          HA2       GLY 101 120.073   4.220 -11.842
  432    H    TYR   2           HN       TYR 102 121.999   2.363 -11.801
  433    HA   TYR   2           HA       TYR 102 122.541   2.083  -8.933
  434   1HB   TYR   2          HB2       TYR 102 122.290   0.019 -11.108
  435   2HB   TYR   2          HB1       TYR 102 122.882  -0.369  -9.515
  436    HD1  TYR   2           HD1      TYR 102 121.008  -2.041  -9.512
  437    HD2  TYR   2           HD2      TYR 102 120.288   2.150  -9.597
  438    HE1  TYR   2           HE1      TYR 102 118.687  -2.424  -8.792
  439    HE2  TYR   2           HE2      TYR 102 117.974   1.775  -8.873
  440    HH   TYR   2           HH       TYR 102 116.307  -0.486  -9.144
  441    H    ILE   3           HN       ILE 103 124.537   0.763  -8.379
  442    HA   ILE   3           HA       ILE 103 126.831   1.875  -9.848
  443    HB   ILE   3           HB       ILE 103 128.073   0.793  -7.812
  444   1HG1  ILE   3          HG12      ILE 103 125.328   1.296  -6.687
  445   2HG1  ILE   3          HG11      ILE 103 126.210  -0.221  -6.764
  446   1HG2  ILE   3          HG21      ILE 103 128.587   2.910  -7.633
  447   2HG2  ILE   3          HG22      ILE 103 127.210   3.108  -6.568
  448   3HG2  ILE   3          HG23      ILE 103 127.050   3.421  -8.293
  449   1HD1  ILE   3          HD11      ILE 103 127.978   1.046  -5.366
  450   2HD1  ILE   3          HD12      ILE 103 126.544   0.383  -4.588
  451   3HD1  ILE   3          HD13      ILE 103 126.630   2.103  -4.980
  452    HA   PRO   4           HA       PRO 104 127.946  -2.246 -10.873
  453   1HB   PRO   4          HB2       PRO 104 130.696  -1.743 -11.280
  454   2HB   PRO   4          HB1       PRO 104 129.439  -1.547 -12.499
  455   1HG   PRO   4          HG2       PRO 104 130.977   0.499 -11.296
  456   2HG   PRO   4          HG1       PRO 104 129.586   0.702 -12.371
  457   1HD   PRO   4          HD2       PRO 104 129.734   0.888  -9.413
  458   2HD   PRO   4          HD1       PRO 104 128.610   1.672 -10.543
  459    H    GLU   5           HN       GLU 105 128.693  -4.037 -10.118
  460    HA   GLU   5           HA       GLU 105 129.040  -4.304  -7.394
  461   1HB   GLU   5          HB2       GLU 105 128.209  -6.161  -8.562
  462   2HB   GLU   5          HB1       GLU 105 129.531  -6.147  -9.717
  463   1HG   GLU   5          HG2       GLU 105 130.360  -7.813  -8.526
  464   2HG   GLU   5          HG1       GLU 105 130.834  -6.601  -7.357
  465    H    ALA   6           HN       ALA 106 130.718  -4.699  -6.057
  466    HA   ALA   6           HA       ALA 106 133.315  -3.693  -6.848
  467   1HB   ALA   6          HB1       ALA 106 133.028  -2.914  -4.760
  468   2HB   ALA   6          HB2       ALA 106 133.615  -4.498  -4.266
  469   3HB   ALA   6          HB3       ALA 106 131.882  -4.180  -4.336
  470    HA   PRO   7           HA       PRO 107 135.641  -7.424  -7.239
  471   1HB   PRO   7          HB2       PRO 107 137.382  -6.774  -4.950
  472   2HB   PRO   7          HB1       PRO 107 137.795  -6.947  -6.656
  473   1HG   PRO   7          HG2       PRO 107 137.752  -4.547  -5.403
  474   2HG   PRO   7          HG1       PRO 107 137.352  -4.742  -7.123
  475   1HD   PRO   7          HD2       PRO 107 135.548  -4.334  -4.790
  476   2HD   PRO   7          HD1       PRO 107 135.392  -3.745  -6.454
  477    H    ARG   8           HN       ARG 108 135.793  -9.529  -6.418
  478    HA   ARG   8           HA       ARG 108 134.595  -9.929  -3.768
  479   1HB   ARG   8          HB2       ARG 108 134.590 -11.812  -6.083
  480   2HB   ARG   8          HB1       ARG 108 133.838 -12.102  -4.530
  481   1HG   ARG   8          HG2       ARG 108 132.574  -9.869  -5.102
  482   2HG   ARG   8          HG1       ARG 108 132.987 -10.323  -6.755
  483   1HD   ARG   8          HD2       ARG 108 131.974 -12.605  -5.342
  484   2HD   ARG   8          HD1       ARG 108 130.851 -11.256  -5.185
  485    HE   ARG   8           HE       ARG 108 131.846 -12.078  -7.827
  486   1HH1  ARG   8          HH11      ARG 108 129.176 -11.547  -5.627
  487   2HH1  ARG   8          HH12      ARG 108 127.975 -11.717  -6.859
  488   1HH2  ARG   8          HH21      ARG 108 130.259 -12.303  -9.434
  489   2HH2  ARG   8          HH22      ARG 108 128.585 -12.148  -9.015
  490    H    ASP   9           HN       ASP 109 136.939  -9.455  -3.230
  491    HA   ASP   9           HA       ASP 109 138.462 -11.989  -3.149
  492   1HB   ASP   9          HB2       ASP 109 140.492 -10.490  -2.904
  493   2HB   ASP   9          HB1       ASP 109 139.737 -10.505  -4.494
  494    H    GLY  10           HN       GLY 110 136.457 -10.747  -1.231
  495   1HA   GLY  10          HA2       GLY 110 136.287 -10.944   1.082
  496   2HA   GLY  10          HA1       GLY 110 137.988 -11.341   1.147
  497    H    GLN  11           HN       GLN 111 137.276  -8.457  -0.569
  498    HA   GLN  11           HA       GLN 111 138.136  -6.966   1.788
  499   1HB   GLN  11          HB2       GLN 111 138.422  -6.050  -1.035
  500   2HB   GLN  11          HB1       GLN 111 139.265  -5.433   0.345
  501   1HG   GLN  11          HG2       GLN 111 140.089  -7.962   0.427
  502   2HG   GLN  11          HG1       GLN 111 139.805  -7.831  -1.287
  503   1HE2  GLN  11          HE21      GLN 111 140.960  -5.992  -2.369
  504   2HE2  GLN  11          HE22      GLN 111 142.526  -5.575  -1.785
  505    H    ALA  12           HN       ALA 112 137.100  -5.166   2.433
  506    HA   ALA  12           HA       ALA 112 134.430  -4.791   1.358
  507   1HB   ALA  12          HB1       ALA 112 133.839  -4.365   3.464
  508   2HB   ALA  12          HB2       ALA 112 135.085  -3.127   3.629
  509   3HB   ALA  12          HB3       ALA 112 135.476  -4.818   3.937
  510    H    TYR  13           HN       TYR 113 133.731  -3.067   0.417
  511    HA   TYR  13           HA       TYR 113 135.637  -0.851  -0.048
  512   1HB   TYR  13          HB2       TYR 113 133.702  -2.172  -1.911
  513   2HB   TYR  13          HB1       TYR 113 134.410  -0.610  -2.206
  514    HD1  TYR  13           HD1      TYR 113 134.955  -4.128  -2.272
  515    HD2  TYR  13           HD2      TYR 113 136.837  -0.372  -2.316
  516    HE1  TYR  13           HE1      TYR 113 137.025  -5.174  -3.094
  517    HE2  TYR  13           HE2      TYR 113 138.892  -1.379  -3.113
  518    HH   TYR  13           HH       TYR 113 139.456  -3.593  -4.497
  519    H    VAL  14           HN       VAL 114 134.878   1.068  -0.329
  520    HA   VAL  14           HA       VAL 114 132.274   1.776   0.846
  521    HB   VAL  14           HB       VAL 114 134.251   3.860   0.413
  522   1HG1  VAL  14          HG11      VAL 114 133.118   2.866   3.023
  523   2HG1  VAL  14          HG12      VAL 114 132.364   4.091   2.003
  524   3HG1  VAL  14          HG13      VAL 114 133.925   4.411   2.756
  525   1HG2  VAL  14          HG21      VAL 114 135.999   2.436   0.659
  526   2HG2  VAL  14          HG22      VAL 114 135.149   1.413   1.817
  527   3HG2  VAL  14          HG23      VAL 114 135.762   2.989   2.310
  528    H    ARG  15           HN       ARG 115 131.112   3.473  -0.417
  529    HA   ARG  15           HA       ARG 115 131.993   3.295  -3.203
  530   1HB   ARG  15          HB2       ARG 115 129.625   2.577  -2.178
  531   2HB   ARG  15          HB1       ARG 115 129.242   4.225  -2.546
  532   1HG   ARG  15          HG2       ARG 115 129.284   1.948  -4.235
  533   2HG   ARG  15          HG1       ARG 115 128.734   3.561  -4.617
  534   1HD   ARG  15          HD2       ARG 115 131.429   3.820  -4.837
  535   2HD   ARG  15          HD1       ARG 115 131.195   2.139  -5.283
  536    HE   ARG  15           HE       ARG 115 129.734   4.301  -6.647
  537   1HH1  ARG  15          HH11      ARG 115 131.811   1.488  -6.729
  538   2HH1  ARG  15          HH12      ARG 115 131.803   1.374  -8.454
  539   1HH2  ARG  15          HH21      ARG 115 129.753   4.126  -8.957
  540   2HH2  ARG  15          HH22      ARG 115 130.647   2.853  -9.703
  541    H    LYS  16           HN       LYS 116 133.157   4.881  -3.774
  542    HA   LYS  16           HA       LYS 116 132.361   7.640  -3.228
  543   1HB   LYS  16          HB2       LYS 116 133.991   7.594  -1.663
  544   2HB   LYS  16          HB1       LYS 116 134.850   6.299  -2.437
  545   1HG   LYS  16          HG2       LYS 116 135.573   8.028  -4.155
  546   2HG   LYS  16          HG1       LYS 116 134.958   9.232  -3.018
  547   1HD   LYS  16          HD2       LYS 116 136.559   7.301  -1.622
  548   2HD   LYS  16          HD1       LYS 116 137.472   7.976  -2.969
  549   1HE   LYS  16          HE2       LYS 116 137.577  10.010  -2.020
  550   2HE   LYS  16          HE1       LYS 116 135.977   9.891  -1.305
  551   1HZ   LYS  16          HZ1       LYS 116 138.315   9.721   0.030
  552   2HZ   LYS  16          HZ2       LYS 116 137.921   8.092  -0.178
  553   3HZ   LYS  16          HZ3       LYS 116 136.835   9.130   0.599
  554    H    ASP  17           HN       ASP 117 132.573   8.985  -4.939
  555    HA   ASP  17           HA       ASP 117 132.792   9.599  -7.103
  556   1HB   ASP  17          HB2       ASP 117 135.336   9.043  -7.841
  557   2HB   ASP  17          HB1       ASP 117 134.867  10.419  -6.883
  558    H    GLY  18           HN       GLY 118 131.476   7.229  -7.128
  559   1HA   GLY  18          HA2       GLY 118 130.819   5.626  -8.613
  560   2HA   GLY  18          HA1       GLY 118 131.889   6.382  -9.773
  561    H    GLU  19           HN       GLU 119 133.654   5.359  -7.014
  562    HA   GLU  19           HA       GLU 119 134.206   2.798  -8.311
  563   1HB   GLU  19          HB2       GLU 119 136.169   4.810  -7.230
  564   2HB   GLU  19          HB1       GLU 119 136.589   3.172  -7.664
  565   1HG   GLU  19          HG2       GLU 119 135.418   3.940  -9.945
  566   2HG   GLU  19          HG1       GLU 119 136.028   5.493  -9.377
  567    H    TRP  20           HN       TRP 120 135.262   1.235  -6.910
  568    HA   TRP  20           HA       TRP 120 134.166   1.431  -4.214
  569   1HB   TRP  20          HB2       TRP 120 135.221  -0.957  -5.775
  570   2HB   TRP  20          HB1       TRP 120 134.802  -1.009  -4.071
  571    HD1  TRP  20           HD1      TRP 120 133.166  -1.426  -7.366
  572    HE1  TRP  20           HE1      TRP 120 130.591  -1.351  -7.078
  573    HE3  TRP  20           HE3      TRP 120 132.922   0.335  -2.583
  574    HZ2  TRP  20           HZ2      TRP 120 128.764  -0.638  -5.091
  575    HZ3  TRP  20           HZ3      TRP 120 130.722   0.676  -1.565
  576    HH2  TRP  20           HH2      TRP 120 128.689   0.217  -2.809
  577    H    VAL  21           HN       VAL 121 135.405   2.024  -2.580
  578    HA   VAL  21           HA       VAL 121 138.331   1.693  -2.836
  579    HB   VAL  21           HB       VAL 121 137.011   3.644  -0.957
  580   1HG1  VAL  21          HG11      VAL 121 139.749   3.901  -2.113
  581   2HG1  VAL  21          HG12      VAL 121 139.459   2.742  -0.816
  582   3HG1  VAL  21          HG13      VAL 121 139.125   4.454  -0.559
  583   1HG2  VAL  21          HG21      VAL 121 136.492   5.003  -2.640
  584   2HG2  VAL  21          HG22      VAL 121 137.241   3.926  -3.819
  585   3HG2  VAL  21          HG23      VAL 121 138.216   5.137  -2.987
  586    H    LEU  22           HN       LEU 122 139.422   0.731  -1.325
  587    HA   LEU  22           HA       LEU 122 138.174  -1.100   0.340
  588   1HB   LEU  22          HB2       LEU 122 140.795  -0.303  -0.340
  589   2HB   LEU  22          HB1       LEU 122 140.696  -0.543   1.400
  590    HG   LEU  22           HG       LEU 122 140.253  -2.519  -0.802
  591   1HD1  LEU  22          HD11      LEU 122 142.411  -2.647  -0.046
  592   2HD1  LEU  22          HD12      LEU 122 141.597  -3.862   0.941
  593   3HD1  LEU  22          HD13      LEU 122 141.954  -2.276   1.613
  594   1HD2  LEU  22          HD21      LEU 122 139.592  -3.913   1.452
  595   2HD2  LEU  22          HD22      LEU 122 138.439  -3.300   0.261
  596   3HD2  LEU  22          HD23      LEU 122 138.782  -2.371   1.723
  597    H    LEU  23           HN       LEU 123 137.292  -1.027   2.210
  598    HA   LEU  23           HA       LEU 123 136.741   1.329   3.593
  599   1HB   LEU  23          HB2       LEU 123 135.323  -0.567   3.797
  600   2HB   LEU  23          HB1       LEU 123 136.631  -1.579   4.358
  601    HG   LEU  23           HG       LEU 123 136.607  -0.642   6.520
  602   1HD1  LEU  23          HD11      LEU 123 136.495   1.698   6.119
  603   2HD1  LEU  23          HD12      LEU 123 135.101   1.256   7.108
  604   3HD1  LEU  23          HD13      LEU 123 134.901   1.553   5.377
  605   1HD2  LEU  23          HD21      LEU 123 134.680  -2.116   5.925
  606   2HD2  LEU  23          HD22      LEU 123 133.727  -0.648   5.711
  607   3HD2  LEU  23          HD23      LEU 123 134.400  -1.023   7.271
  608    H    SER  24           HN       SER 124 139.364  -1.032   4.020
  609    HA   SER  24           HA       SER 124 140.212  -0.121   6.552
  610   1HB   SER  24          HB2       SER 124 140.989  -2.122   4.730
  611   2HB   SER  24          HB1       SER 124 142.415  -1.116   4.980
  612    HG   SER  24           HG       SER 124 140.881  -1.964   7.181
  613    H    THR  25           HN       THR 125 140.578   1.273   3.401
  614    HA   THR  25           HA       THR 125 142.945   2.752   3.978
  615    HB   THR  25           HB       THR 125 140.757   3.053   1.942
  616    HG1  THR  25           HG1      THR 125 143.550   2.757   1.609
  617   1HG2  THR  25          HG21      THR 125 141.464   5.348   2.568
  618   2HG2  THR  25          HG22      THR 125 141.845   4.903   0.906
  619   3HG2  THR  25          HG23      THR 125 143.115   4.910   2.129
  620    H    PHE  26           HN       PHE 126 139.695   2.877   4.916
  621    HA   PHE  26           HA       PHE 126 139.740   5.652   5.797
  622   1HB   PHE  26          HB2       PHE 126 137.562   3.611   5.524
  623   2HB   PHE  26          HB1       PHE 126 137.295   5.186   6.241
  624    HD1  PHE  26           HD1      PHE 126 137.823   3.330   3.176
  625    HD2  PHE  26           HD2      PHE 126 137.487   7.227   4.847
  626    HE1  PHE  26           HE1      PHE 126 137.496   4.256   0.928
  627    HE2  PHE  26           HE2      PHE 126 137.164   8.171   2.599
  628    HZ   PHE  26           HZ       PHE 126 137.170   6.703   0.620
  629    H    LEU  27           HN       LEU 127 140.488   2.646   7.083
  630    HA   LEU  27           HA       LEU 127 139.796   3.576   9.790
  631   1HB   LEU  27          HB2       LEU 127 140.589   0.756   9.202
  632   2HB   LEU  27          HB1       LEU 127 139.599   1.379  10.509
  633    HG   LEU  27           HG       LEU 127 138.763   1.145   7.619
  634   1HD1  LEU  27          HD11      LEU 127 137.173  -0.267   9.530
  635   2HD1  LEU  27          HD12      LEU 127 138.857  -0.792   9.622
  636   3HD1  LEU  27          HD13      LEU 127 137.989  -0.871   8.086
  637   1HD2  LEU  27          HD21      LEU 127 136.485   1.499   8.994
  638   2HD2  LEU  27          HD22      LEU 127 137.370   2.814   8.212
  639   3HD2  LEU  27          HD23      LEU 127 137.577   2.513   9.939
  Start of MODEL    6
    1   1H    GLY   1           HT1      GLY   1 129.497  -7.433 -13.589
    2   2H    GLY   1           HT2      GLY   1 128.185  -7.453 -12.521
    3   3H    GLY   1           HT3      GLY   1 129.656  -6.769 -12.041
    4   1HA   GLY   1          HA1       GLY   1 129.405  -5.089 -13.827
    5   2HA   GLY   1          HA2       GLY   1 127.796  -5.735 -14.110
    6    H    TYR   2           HN       TYR   2 126.385  -5.827 -12.059
    7    HA   TYR   2           HA       TYR   2 126.884  -3.437 -10.414
    8   1HB   TYR   2          HB2       TYR   2 124.398  -4.354 -11.754
    9   2HB   TYR   2          HB1       TYR   2 124.287  -3.405 -10.286
   10    HD1  TYR   2           HD1      TYR   2 123.462  -1.348 -10.959
   11    HD2  TYR   2           HD2      TYR   2 126.648  -3.090 -13.164
   12    HE1  TYR   2           HE1      TYR   2 123.661   0.710 -12.293
   13    HE2  TYR   2           HE2      TYR   2 126.863  -1.039 -14.496
   14    HH   TYR   2           HH       TYR   2 126.140   1.620 -13.914
   15    H    ILE   3           HN       ILE   3 126.156  -3.487  -8.229
   16    HA   ILE   3           HA       ILE   3 126.059  -6.195  -7.107
   17    HB   ILE   3           HB       ILE   3 126.021  -4.893  -4.899
   18   1HG1  ILE   3          HG12      ILE   3 127.072  -2.729  -6.719
   19   2HG1  ILE   3          HG11      ILE   3 125.547  -2.710  -5.847
   20   1HG2  ILE   3          HG21      ILE   3 128.188  -5.628  -6.625
   21   2HG2  ILE   3          HG22      ILE   3 128.033  -5.779  -4.895
   22   3HG2  ILE   3          HG23      ILE   3 128.640  -4.290  -5.575
   23   1HD1  ILE   3          HD11      ILE   3 128.309  -2.457  -4.795
   24   2HD1  ILE   3          HD12      ILE   3 127.020  -3.053  -3.764
   25   3HD1  ILE   3          HD13      ILE   3 126.893  -1.449  -4.485
   26    HA   PRO   4           HA       PRO   4 121.857  -5.660  -5.874
   27   1HB   PRO   4          HB2       PRO   4 121.758  -7.703  -4.011
   28   2HB   PRO   4          HB1       PRO   4 121.693  -7.969  -5.755
   29   1HG   PRO   4          HG2       PRO   4 123.806  -8.653  -3.915
   30   2HG   PRO   4          HG1       PRO   4 123.699  -9.006  -5.646
   31   1HD   PRO   4          HD2       PRO   4 125.185  -6.873  -4.263
   32   2HD   PRO   4          HD1       PRO   4 125.399  -7.513  -5.903
   33    H    GLU   5           HN       GLU   5 120.590  -4.800  -4.386
   34    HA   GLU   5           HA       GLU   5 121.664  -2.963  -2.669
   35   1HB   GLU   5          HB2       GLU   5 119.485  -2.655  -3.616
   36   2HB   GLU   5          HB1       GLU   5 118.877  -4.112  -2.857
   37   1HG   GLU   5          HG2       GLU   5 118.213  -2.959  -1.109
   38   2HG   GLU   5          HG1       GLU   5 119.843  -2.355  -0.838
   39    H    ALA   6           HN       ALA   6 121.862  -2.742  -0.493
   40    HA   ALA   6           HA       ALA   6 122.153  -5.174   1.078
   41   1HB   ALA   6          HB1       ALA   6 123.655  -4.015   2.307
   42   2HB   ALA   6          HB2       ALA   6 122.617  -2.596   2.410
   43   3HB   ALA   6          HB3       ALA   6 123.605  -2.859   0.973
   44    HA   PRO   7           HA       PRO   7 118.489  -5.021   3.584
   45   1HB   PRO   7          HB2       PRO   7 120.130  -4.704   6.025
   46   2HB   PRO   7          HB1       PRO   7 118.961  -5.958   5.604
   47   1HG   PRO   7          HG2       PRO   7 121.605  -6.423   5.588
   48   2HG   PRO   7          HG1       PRO   7 120.508  -7.194   4.428
   49   1HD   PRO   7          HD2       PRO   7 122.419  -4.949   4.022
   50   2HD   PRO   7          HD1       PRO   7 121.919  -6.223   2.901
   51    H    ARG   8           HN       ARG   8 117.105  -3.602   4.698
   52    HA   ARG   8           HA       ARG   8 118.138  -0.873   5.074
   53   1HB   ARG   8          HB2       ARG   8 115.788  -1.911   3.793
   54   2HB   ARG   8          HB1       ARG   8 115.402  -0.648   4.940
   55   1HG   ARG   8          HG2       ARG   8 115.721   0.299   2.763
   56   2HG   ARG   8          HG1       ARG   8 117.026   0.815   3.815
   57   1HD   ARG   8          HD2       ARG   8 117.323  -1.586   2.053
   58   2HD   ARG   8          HD1       ARG   8 117.585   0.038   1.420
   59    HE   ARG   8           HE       ARG   8 119.065  -0.483   3.816
   60   1HH1  ARG   8          HH11      ARG   8 119.051  -0.842   0.363
   61   2HH1  ARG   8          HH12      ARG   8 120.774  -0.919   0.233
   62   1HH2  ARG   8          HH21      ARG   8 121.338  -0.557   3.660
   63   2HH2  ARG   8          HH22      ARG   8 122.075  -0.746   2.104
   64    H    ASP   9           HN       ASP   9 118.747  -1.992   7.169
   65    HA   ASP   9           HA       ASP   9 116.566  -1.773   9.158
   66   1HB   ASP   9          HB2       ASP   9 118.012  -3.127  10.621
   67   2HB   ASP   9          HB1       ASP   9 117.601  -3.969   9.131
   68    H    GLY  10           HN       GLY  10 118.591   0.288   7.924
   69   1HA   GLY  10          HA2       GLY  10 119.378   2.303   8.801
   70   2HA   GLY  10          HA1       GLY  10 118.888   1.753  10.401
   71    H    GLN  11           HN       GLN  11 120.845  -0.435   8.639
   72    HA   GLN  11           HA       GLN  11 123.137   0.383  10.271
   73   1HB   GLN  11          HB2       GLN  11 121.926  -2.170   9.725
   74   2HB   GLN  11          HB1       GLN  11 123.584  -2.205   9.252
   75   1HG   GLN  11          HG2       GLN  11 122.362  -1.947  11.951
   76   2HG   GLN  11          HG1       GLN  11 123.679  -2.964  11.416
   77   1HE2  GLN  11          HE21      GLN  11 122.879   0.187  12.752
   78   2HE2  GLN  11          HE22      GLN  11 124.506   0.701  12.969
   79    H    ALA  12           HN       ALA  12 125.203   0.437   9.302
   80    HA   ALA  12           HA       ALA  12 125.105   1.000   6.468
   81   1HB   ALA  12          HB1       ALA  12 126.411   2.147   8.637
   82   2HB   ALA  12          HB2       ALA  12 126.590   2.580   6.941
   83   3HB   ALA  12          HB3       ALA  12 127.683   1.404   7.675
   84    H    TYR  13           HN       TYR  13 126.037  -0.078   4.924
   85    HA   TYR  13           HA       TYR  13 127.583  -2.477   5.653
   86   1HB   TYR  13          HB2       TYR  13 125.668  -2.069   3.376
   87   2HB   TYR  13          HB1       TYR  13 126.813  -3.365   3.442
   88    HD1  TYR  13           HD1      TYR  13 123.654  -2.247   4.514
   89    HD2  TYR  13           HD2      TYR  13 126.791  -4.876   5.404
   90    HE1  TYR  13           HE1      TYR  13 122.138  -3.517   5.989
   91    HE2  TYR  13           HE2      TYR  13 125.352  -6.143   6.891
   92    HH   TYR  13           HH       TYR  13 122.855  -6.576   7.096
   93    H    VAL  14           HN       VAL  14 129.169  -3.067   4.478
   94    HA   VAL  14           HA       VAL  14 130.541  -1.105   2.766
   95    HB   VAL  14           HB       VAL  14 131.998  -3.432   3.720
   96   1HG1  VAL  14          HG11      VAL  14 132.429  -0.508   3.668
   97   2HG1  VAL  14          HG12      VAL  14 133.503  -1.813   3.165
   98   3HG1  VAL  14          HG13      VAL  14 133.332  -1.421   4.876
   99   1HG2  VAL  14          HG21      VAL  14 130.975  -3.648   5.691
  100   2HG2  VAL  14          HG22      VAL  14 130.390  -1.983   5.701
  101   3HG2  VAL  14          HG23      VAL  14 132.057  -2.336   6.143
  102    H    ARG  15           HN       ARG  15 131.473  -2.087   0.780
  103    HA   ARG  15           HA       ARG  15 129.918  -4.476   0.139
  104   1HB   ARG  15          HB2       ARG  15 130.049  -2.114  -1.191
  105   2HB   ARG  15          HB1       ARG  15 131.270  -2.989  -2.031
  106   1HG   ARG  15          HG2       ARG  15 128.438  -3.100  -2.318
  107   2HG   ARG  15          HG1       ARG  15 129.666  -3.793  -3.353
  108   1HD   ARG  15          HD2       ARG  15 129.557  -5.541  -1.236
  109   2HD   ARG  15          HD1       ARG  15 127.896  -4.995  -1.400
  110    HE   ARG  15           HE       ARG  15 129.359  -6.105  -3.702
  111   1HH1  ARG  15          HH11      ARG  15 126.651  -6.161  -1.496
  112   2HH1  ARG  15          HH12      ARG  15 125.785  -7.372  -2.375
  113   1HH2  ARG  15          HH21      ARG  15 128.164  -7.741  -4.860
  114   2HH2  ARG  15          HH22      ARG  15 126.635  -8.259  -4.254
  115    H    LYS  16           HN       LYS  16 130.962  -6.210   0.522
  116    HA   LYS  16           HA       LYS  16 133.700  -6.544  -0.433
  117   1HB   LYS  16          HB2       LYS  16 134.492  -6.513   1.642
  118   2HB   LYS  16          HB1       LYS  16 132.886  -6.338   2.292
  119   1HG   LYS  16          HG2       LYS  16 132.683  -8.832   2.229
  120   2HG   LYS  16          HG1       LYS  16 134.391  -8.891   1.773
  121   1HD   LYS  16          HD2       LYS  16 134.754  -7.359   3.826
  122   2HD   LYS  16          HD1       LYS  16 133.157  -7.903   4.331
  123   1HE   LYS  16          HE2       LYS  16 134.353 -10.240   3.745
  124   2HE   LYS  16          HE1       LYS  16 135.732  -9.312   4.301
  125   1HZ   LYS  16          HZ1       LYS  16 134.847  -9.107   6.401
  126   2HZ   LYS  16          HZ2       LYS  16 134.307 -10.654   5.979
  127   3HZ   LYS  16          HZ3       LYS  16 133.252  -9.337   5.883
  128    H    ASP  17           HN       ASP  17 133.919  -8.340  -1.615
  129    HA   ASP  17           HA       ASP  17 133.521 -10.384  -2.506
  130   1HB   ASP  17          HB2       ASP  17 133.672 -10.645   0.298
  131   2HB   ASP  17          HB1       ASP  17 132.361 -11.692  -0.210
  132    H    GLY  18           HN       GLY  18 131.481  -8.714  -3.172
  133   1HA   GLY  18          HA2       GLY  18 129.406  -8.820  -4.120
  134   2HA   GLY  18          HA1       GLY  18 129.473 -10.550  -3.888
  135    H    GLU  19           HN       GLU  19 129.802  -9.022  -0.869
  136    HA   GLU  19           HA       GLU  19 126.901  -9.105  -0.465
  137   1HB   GLU  19          HB2       GLU  19 129.082 -10.334   1.188
  138   2HB   GLU  19          HB1       GLU  19 127.492 -10.020   1.829
  139   1HG   GLU  19          HG2       GLU  19 127.275 -11.435  -0.653
  140   2HG   GLU  19          HG1       GLU  19 128.358 -12.286   0.446
  141    H    TRP  20           HN       TRP  20 126.178  -8.008   1.455
  142    HA   TRP  20           HA       TRP  20 127.701  -5.559   1.861
  143   1HB   TRP  20          HB2       TRP  20 124.795  -6.213   2.446
  144   2HB   TRP  20          HB1       TRP  20 125.595  -4.747   2.967
  145    HD1  TRP  20           HD1      TRP  20 123.733  -6.031   0.053
  146    HE1  TRP  20           HE1      TRP  20 124.065  -4.445  -1.962
  147    HE3  TRP  20           HE3      TRP  20 127.605  -3.222   1.836
  148    HZ2  TRP  20           HZ2      TRP  20 125.727  -2.315  -2.648
  149    HZ3  TRP  20           HZ3      TRP  20 128.489  -1.425   0.433
  150    HH2  TRP  20           HH2      TRP  20 127.580  -1.003  -1.774
  151    H    VAL  21           HN       VAL  21 128.882  -5.374   3.598
  152    HA   VAL  21           HA       VAL  21 128.185  -6.986   5.974
  153    HB   VAL  21           HB       VAL  21 130.941  -5.916   5.427
  154   1HG1  VAL  21          HG11      VAL  21 130.340  -6.407   7.750
  155   2HG1  VAL  21          HG12      VAL  21 131.604  -7.483   7.155
  156   3HG1  VAL  21          HG13      VAL  21 129.944  -8.063   7.289
  157   1HG2  VAL  21          HG21      VAL  21 129.715  -8.447   4.472
  158   2HG2  VAL  21          HG22      VAL  21 131.364  -8.512   5.092
  159   3HG2  VAL  21          HG23      VAL  21 130.973  -7.452   3.739
  160    H    LEU  22           HN       LEU  22 128.125  -6.084   7.858
  161    HA   LEU  22           HA       LEU  22 127.418  -3.418   8.046
  162   1HB   LEU  22          HB2       LEU  22 127.720  -5.684   9.754
  163   2HB   LEU  22          HB1       LEU  22 128.278  -4.232  10.574
  164    HG   LEU  22           HG       LEU  22 125.540  -4.904   9.569
  165   1HD1  LEU  22          HD11      LEU  22 125.607  -3.404  11.993
  166   2HD1  LEU  22          HD12      LEU  22 126.764  -4.734  12.106
  167   3HD1  LEU  22          HD13      LEU  22 125.074  -5.065  11.724
  168   1HD2  LEU  22          HD21      LEU  22 125.105  -2.410  10.203
  169   2HD2  LEU  22          HD22      LEU  22 125.606  -2.848   8.577
  170   3HD2  LEU  22          HD23      LEU  22 126.780  -2.206   9.729
  171    H    LEU  23           HN       LEU  23 128.471  -1.613   8.193
  172    HA   LEU  23           HA       LEU  23 131.255  -1.366   7.883
  173   1HB   LEU  23          HB2       LEU  23 129.560   0.338   7.283
  174   2HB   LEU  23          HB1       LEU  23 129.246   0.610   8.975
  175    HG   LEU  23           HG       LEU  23 131.140   1.855   9.285
  176   1HD1  LEU  23          HD11      LEU  23 133.147   1.764   7.905
  177   2HD1  LEU  23          HD12      LEU  23 132.409   0.506   6.910
  178   3HD1  LEU  23          HD13      LEU  23 132.770   0.192   8.607
  179   1HD2  LEU  23          HD21      LEU  23 131.233   3.467   7.594
  180   2HD2  LEU  23          HD22      LEU  23 129.615   2.779   7.485
  181   3HD2  LEU  23          HD23      LEU  23 130.857   2.293   6.334
  182    H    SER  24           HN       SER  24 129.176  -1.007  10.757
  183    HA   SER  24           HA       SER  24 131.221  -0.231  12.514
  184   1HB   SER  24          HB2       SER  24 129.671  -0.619  14.271
  185   2HB   SER  24          HB1       SER  24 128.705  -0.092  12.894
  186    HG   SER  24           HG       SER  24 128.793  -2.646  12.615
  187    H    THR  25           HN       THR  25 130.511  -3.323  11.122
  188    HA   THR  25           HA       THR  25 131.669  -4.877  13.211
  189    HB   THR  25           HB       THR  25 131.103  -5.438  10.309
  190    HG1  THR  25           HG1      THR  25 130.138  -6.634  12.684
  191   1HG2  THR  25          HG21      THR  25 131.582  -7.874  11.004
  192   2HG2  THR  25          HG22      THR  25 132.652  -7.145  12.201
  193   3HG2  THR  25          HG23      THR  25 132.914  -6.842  10.482
  194    H    PHE  26           HN       PHE  26 132.842  -2.810  10.759
  195    HA   PHE  26           HA       PHE  26 135.550  -3.860  10.883
  196   1HB   PHE  26          HB2       PHE  26 134.369  -1.706   9.113
  197   2HB   PHE  26          HB1       PHE  26 136.017  -2.270   9.064
  198    HD1  PHE  26           HD1      PHE  26 132.533  -3.355   8.466
  199    HD2  PHE  26           HD2      PHE  26 136.661  -4.240   7.943
  200    HE1  PHE  26           HE1      PHE  26 131.945  -5.184   6.924
  201    HE2  PHE  26           HE2      PHE  26 136.087  -6.069   6.401
  202    HZ   PHE  26           HZ       PHE  26 133.730  -6.572   5.877
  203    H    LEU  27           HN       LEU  27 133.724  -1.761  12.664
  204    HA   LEU  27           HA       LEU  27 136.078  -0.077  13.185
  205   1HB   LEU  27          HB2       LEU  27 133.357   0.684  14.127
  206   2HB   LEU  27          HB1       LEU  27 134.716   1.708  13.693
  207    HG   LEU  27           HG       LEU  27 132.885   0.236  11.798
  208   1HD1  LEU  27          HD11      LEU  27 131.710   2.095  11.779
  209   2HD1  LEU  27          HD12      LEU  27 133.150   2.981  11.250
  210   3HD1  LEU  27          HD13      LEU  27 132.796   2.808  12.975
  211   1HD2  LEU  27          HD21      LEU  27 134.405   2.026  10.347
  212   2HD2  LEU  27          HD22      LEU  27 134.546   0.263  10.327
  213   3HD2  LEU  27          HD23      LEU  27 135.571   1.218  11.400
  214   1H    GLY   1           HT1      GLY  51 116.405  -6.870  -3.158
  215   2H    GLY   1           HT2      GLY  51 117.298  -5.448  -2.960
  216   3H    GLY   1           HT3      GLY  51 118.090  -6.941  -3.020
  217   1HA   GLY   1          HA1       GLY  51 117.359  -7.248  -5.319
  218   2HA   GLY   1          HA2       GLY  51 116.604  -5.663  -5.250
  219    H    TYR   2           HN       TYR  52 117.774  -3.992  -5.946
  220    HA   TYR   2           HA       TYR  52 120.699  -4.149  -5.839
  221   1HB   TYR   2          HB2       TYR  52 118.995  -3.893  -8.220
  222   2HB   TYR   2          HB1       TYR  52 120.424  -2.873  -8.174
  223    HD1  TYR   2           HD1      TYR  52 122.287  -3.737  -9.228
  224    HD2  TYR   2           HD2      TYR  52 119.542  -6.433  -7.414
  225    HE1  TYR   2           HE1      TYR  52 123.655  -5.635  -9.983
  226    HE2  TYR   2           HE2      TYR  52 120.906  -8.338  -8.160
  227    HH   TYR   2           HH       TYR  52 122.718  -8.589 -10.288
  228    H    ILE   3           HN       ILE  53 121.670  -2.307  -5.118
  229    HA   ILE   3           HA       ILE  53 119.969  -0.064  -4.385
  230    HB   ILE   3           HB       ILE  53 122.071   0.937  -3.468
  231   1HG1  ILE   3          HG12      ILE  53 123.267  -1.720  -4.233
  232   2HG1  ILE   3          HG11      ILE  53 123.643  -0.158  -4.935
  233   1HG2  ILE   3          HG21      ILE  53 120.721  -1.376  -2.484
  234   2HG2  ILE   3          HG22      ILE  53 121.291   0.025  -1.627
  235   3HG2  ILE   3          HG23      ILE  53 122.375  -1.324  -1.904
  236   1HD1  ILE   3          HD11      ILE  53 124.263  -1.137  -2.187
  237   2HD1  ILE   3          HD12      ILE  53 124.346   0.561  -2.630
  238   3HD1  ILE   3          HD13      ILE  53 125.383  -0.608  -3.442
  239    HA   PRO   4           HA       PRO  54 121.365   2.460  -7.756
  240   1HB   PRO   4          HB2       PRO  54 120.577   4.897  -6.888
  241   2HB   PRO   4          HB1       PRO  54 119.399   3.649  -7.309
  242   1HG   PRO   4          HG2       PRO  54 120.233   4.632  -4.644
  243   2HG   PRO   4          HG1       PRO  54 118.696   3.916  -5.150
  244   1HD   PRO   4          HD2       PRO  54 120.846   2.622  -3.797
  245   2HD   PRO   4          HD1       PRO  54 119.364   1.878  -4.419
  246    H    GLU   5           HN       GLU  55 122.868   3.987  -8.419
  247    HA   GLU   5           HA       GLU  55 125.306   3.805  -7.179
  248   1HB   GLU   5          HB2       GLU  55 125.291   4.186  -9.495
  249   2HB   GLU   5          HB1       GLU  55 124.282   5.615  -9.342
  250   1HG   GLU   5          HG2       GLU  55 126.116   6.816  -9.480
  251   2HG   GLU   5          HG1       GLU  55 126.580   6.225  -7.896
  252    H    ALA   6           HN       ALA  56 126.625   5.116  -6.048
  253    HA   ALA   6           HA       ALA  56 125.339   7.059  -4.330
  254   1HB   ALA   6          HB1       ALA  56 128.179   6.777  -3.900
  255   2HB   ALA   6          HB2       ALA  56 127.382   5.204  -3.982
  256   3HB   ALA   6          HB3       ALA  56 126.840   6.415  -2.822
  257    HA   PRO   7           HA       PRO  57 126.556  10.919  -6.030
  258   1HB   PRO   7          HB2       PRO  57 127.883  11.858  -3.682
  259   2HB   PRO   7          HB1       PRO  57 126.279  12.274  -4.265
  260   1HG   PRO   7          HG2       PRO  57 127.042  10.484  -2.120
  261   2HG   PRO   7          HG1       PRO  57 125.455  11.144  -2.503
  262   1HD   PRO   7          HD2       PRO  57 126.213   8.506  -2.826
  263   2HD   PRO   7          HD1       PRO  57 124.849   9.289  -3.645
  264    H    ARG   8           HN       ARG  58 128.308  12.072  -6.820
  265    HA   ARG   8           HA       ARG  58 130.935  10.775  -6.532
  266   1HB   ARG   8          HB2       ARG  58 129.478  11.931  -8.778
  267   2HB   ARG   8          HB1       ARG  58 131.189  12.262  -8.758
  268   1HG   ARG   8          HG2       ARG  58 131.374  10.330  -9.857
  269   2HG   ARG   8          HG1       ARG  58 131.166   9.601  -8.272
  270   1HD   ARG   8          HD2       ARG  58 129.321   9.712 -10.558
  271   2HD   ARG   8          HD1       ARG  58 129.590   8.449  -9.366
  272    HE   ARG   8           HE       ARG  58 128.141   9.629  -7.862
  273   1HH1  ARG   8          HH11      ARG  58 128.168  10.891 -11.126
  274   2HH1  ARG   8          HH12      ARG  58 126.603  11.614 -10.988
  275   1HH2  ARG   8          HH21      ARG  58 126.081  10.571  -7.695
  276   2HH2  ARG   8          HH22      ARG  58 125.418  11.436  -9.039
  277    H    ASP   9           HN       ASP  59 131.090  12.105  -4.593
  278    HA   ASP   9           HA       ASP  59 131.886  14.875  -5.219
  279   1HB   ASP   9          HB2       ASP  59 131.453  15.395  -2.856
  280   2HB   ASP   9          HB1       ASP  59 130.009  14.781  -3.655
  281    H    GLY  10           HN       GLY  60 133.356  12.073  -4.992
  282   1HA   GLY  10          HA2       GLY  60 135.609  11.612  -4.634
  283   2HA   GLY  10          HA1       GLY  60 135.808  13.251  -4.029
  284    H    GLN  11           HN       GLN  61 133.278  11.493  -2.567
  285    HA   GLN  11           HA       GLN  61 135.004  10.876  -0.255
  286   1HB   GLN  11          HB2       GLN  61 132.796  12.566  -0.328
  287   2HB   GLN  11          HB1       GLN  61 132.242  11.123   0.485
  288   1HG   GLN  11          HG2       GLN  61 133.539  11.511   2.285
  289   2HG   GLN  11          HG1       GLN  61 134.878  12.117   1.331
  290   1HE2  GLN  11          HE21      GLN  61 133.821  14.162   0.040
  291   2HE2  GLN  11          HE22      GLN  61 133.320  15.405   1.128
  292    H    ALA  12           HN       ALA  62 134.302   9.143   1.053
  293    HA   ALA  12           HA       ALA  62 133.252   6.926  -0.520
  294   1HB   ALA  12          HB1       ALA  62 134.616   5.592   0.653
  295   2HB   ALA  12          HB2       ALA  62 134.169   6.331   2.192
  296   3HB   ALA  12          HB3       ALA  62 135.392   7.087   1.172
  297    H    TYR  13           HN       TYR  63 131.496   5.893  -0.170
  298    HA   TYR  13           HA       TYR  63 129.796   6.779   2.056
  299   1HB   TYR  13          HB2       TYR  63 129.068   6.037  -0.726
  300   2HB   TYR  13          HB1       TYR  63 127.924   6.051   0.558
  301    HD1  TYR  13           HD1      TYR  63 129.474   8.026  -1.867
  302    HD2  TYR  13           HD2      TYR  63 127.810   8.147   1.981
  303    HE1  TYR  13           HE1      TYR  63 129.241  10.474  -2.067
  304    HE2  TYR  13           HE2      TYR  63 127.598  10.571   1.856
  305    HH   TYR  13           HH       TYR  63 129.141  12.444  -0.372
  306    H    VAL  14           HN       VAL  64 128.408   5.332   2.918
  307    HA   VAL  14           HA       VAL  64 129.021   2.535   2.382
  308    HB   VAL  14           HB       VAL  64 129.814   2.762   4.480
  309   1HG1  VAL  14          HG11      VAL  64 129.424   5.023   4.963
  310   2HG1  VAL  14          HG12      VAL  64 128.737   4.099   6.289
  311   3HG1  VAL  14          HG13      VAL  64 127.681   4.773   5.054
  312   1HG2  VAL  14          HG21      VAL  64 126.941   2.240   5.089
  313   2HG2  VAL  14          HG22      VAL  64 128.355   1.703   5.996
  314   3HG2  VAL  14          HG23      VAL  64 128.049   1.067   4.393
  315    H    ARG  15           HN       ARG  65 127.197   1.098   2.746
  316    HA   ARG  15           HA       ARG  65 124.779   2.504   1.866
  317   1HB   ARG  15          HB2       ARG  65 126.168   0.392   0.768
  318   2HB   ARG  15          HB1       ARG  65 124.905  -0.429   1.570
  319   1HG   ARG  15          HG2       ARG  65 124.869   1.007  -0.902
  320   2HG   ARG  15          HG1       ARG  65 123.711  -0.153  -0.290
  321   1HD   ARG  15          HD2       ARG  65 123.195   2.162   1.132
  322   2HD   ARG  15          HD1       ARG  65 123.610   2.724  -0.478
  323    HE   ARG  15           HE       ARG  65 121.479   0.740   0.021
  324   1HH1  ARG  15          HH11      ARG  65 122.641   3.634  -1.540
  325   2HH1  ARG  15          HH12      ARG  65 121.189   3.892  -2.440
  326   1HH2  ARG  15          HH21      ARG  65 119.528   1.125  -1.187
  327   2HH2  ARG  15          HH22      ARG  65 119.455   2.484  -2.255
  328    H    LYS  16           HN       LYS  66 123.486   2.957   3.403
  329    HA   LYS  16           HA       LYS  66 122.602   0.913   5.283
  330   1HB   LYS  16          HB2       LYS  66 123.696   1.900   6.954
  331   2HB   LYS  16          HB1       LYS  66 124.099   3.284   5.977
  332   1HG   LYS  16          HG2       LYS  66 121.797   4.177   6.513
  333   2HG   LYS  16          HG1       LYS  66 121.655   2.847   7.671
  334   1HD   LYS  16          HD2       LYS  66 124.172   4.000   8.102
  335   2HD   LYS  16          HD1       LYS  66 123.040   5.341   7.950
  336   1HE   LYS  16          HE2       LYS  66 121.836   4.662   9.788
  337   2HE   LYS  16          HE1       LYS  66 122.427   3.014   9.693
  338   1HZ   LYS  16          HZ1       LYS  66 124.629   3.864  10.347
  339   2HZ   LYS  16          HZ2       LYS  66 123.452   4.118  11.535
  340   3HZ   LYS  16          HZ3       LYS  66 123.952   5.401  10.554
  341    H    ASP  17           HN       ASP  67 120.433   0.793   5.332
  342    HA   ASP  17           HA       ASP  67 118.246   1.344   5.012
  343   1HB   ASP  17          HB2       ASP  67 119.471   3.396   6.539
  344   2HB   ASP  17          HB1       ASP  67 118.313   4.131   5.457
  345    H    GLY  18           HN       GLY  68 119.663   1.314   2.611
  346   1HA   GLY  18          HA2       GLY  68 119.263   1.771   0.427
  347   2HA   GLY  18          HA1       GLY  68 117.857   2.675   0.935
  348    H    GLU  19           HN       GLU  69 120.732   3.907   2.387
  349    HA   GLU  19           HA       GLU  69 120.981   5.837   0.216
  350   1HB   GLU  19          HB2       GLU  69 121.469   7.001   2.812
  351   2HB   GLU  19          HB1       GLU  69 120.397   7.526   1.535
  352   1HG   GLU  19          HG2       GLU  69 118.664   6.017   2.343
  353   2HG   GLU  19          HG1       GLU  69 119.742   5.479   3.630
  354    H    TRP  20           HN       TRP  70 122.937   7.057   0.221
  355    HA   TRP  20           HA       TRP  70 125.184   5.413   1.068
  356   1HB   TRP  20          HB2       TRP  70 125.020   7.753  -0.856
  357   2HB   TRP  20          HB1       TRP  70 126.511   6.951  -0.388
  358    HD1  TRP  20           HD1      TRP  70 123.872   6.625  -2.969
  359    HE1  TRP  20           HE1      TRP  70 124.035   4.286  -4.083
  360    HE3  TRP  20           HE3      TRP  70 127.014   4.368   0.347
  361    HZ2  TRP  20           HZ2      TRP  70 125.333   1.871  -3.586
  362    HZ3  TRP  20           HZ3      TRP  70 127.671   2.054  -0.053
  363    HH2  TRP  20           HH2      TRP  70 126.825   0.826  -1.973
  364    H    VAL  21           HN       VAL  71 125.990   5.839   2.985
  365    HA   VAL  21           HA       VAL  71 125.890   8.619   3.969
  366    HB   VAL  21           HB       VAL  71 126.345   6.189   5.698
  367   1HG1  VAL  21          HG11      VAL  71 127.108   8.482   6.422
  368   2HG1  VAL  21          HG12      VAL  71 125.996   7.666   7.520
  369   3HG1  VAL  21          HG13      VAL  71 125.408   8.948   6.461
  370   1HG2  VAL  21          HG21      VAL  71 123.943   6.639   4.491
  371   2HG2  VAL  21          HG22      VAL  71 123.768   7.563   5.983
  372   3HG2  VAL  21          HG23      VAL  71 124.154   5.844   6.050
  373    H    LEU  22           HN       LEU  72 127.590   9.622   4.553
  374    HA   LEU  22           HA       LEU  72 130.047   9.019   3.523
  375   1HB   LEU  22          HB2       LEU  72 128.894  10.918   5.365
  376   2HB   LEU  22          HB1       LEU  72 130.605  10.621   5.659
  377    HG   LEU  22           HG       LEU  72 129.289  11.739   3.200
  378   1HD1  LEU  22          HD11      LEU  72 130.979  13.467   3.504
  379   2HD1  LEU  22          HD12      LEU  72 131.571  12.610   4.926
  380   3HD1  LEU  22          HD13      LEU  72 129.945  13.287   4.920
  381   1HD2  LEU  22          HD21      LEU  72 130.739  10.138   2.231
  382   2HD2  LEU  22          HD22      LEU  72 132.016  10.479   3.404
  383   3HD2  LEU  22          HD23      LEU  72 131.594  11.678   2.180
  384    H    LEU  23           HN       LEU  73 131.512   7.649   3.968
  385    HA   LEU  23           HA       LEU  73 131.398   5.684   5.943
  386   1HB   LEU  23          HB2       LEU  73 132.681   5.403   3.971
  387   2HB   LEU  23          HB1       LEU  73 133.615   6.835   4.267
  388    HG   LEU  23           HG       LEU  73 134.913   5.810   5.951
  389   1HD1  LEU  23          HD11      LEU  73 134.558   3.440   6.618
  390   2HD1  LEU  23          HD12      LEU  73 132.960   3.529   5.862
  391   3HD1  LEU  23          HD13      LEU  73 133.349   4.572   7.230
  392   1HD2  LEU  23          HD21      LEU  73 136.093   4.320   4.710
  393   2HD2  LEU  23          HD22      LEU  73 135.150   5.102   3.450
  394   3HD2  LEU  23          HD23      LEU  73 134.668   3.527   4.085
  395    H    SER  24           HN       SER  74 132.983   8.790   5.850
  396    HA   SER  24           HA       SER  74 134.575   8.499   8.151
  397   1HB   SER  24          HB2       SER  74 134.521  10.379   6.312
  398   2HB   SER  24          HB1       SER  74 133.395  11.154   7.427
  399    HG   SER  24           HG       SER  74 135.108  11.781   8.455
  400    H    THR  25           HN       THR  75 131.155   8.828   7.838
  401    HA   THR  25           HA       THR  75 130.711  10.039  10.388
  402    HB   THR  25           HB       THR  75 128.959   8.537   8.470
  403    HG1  THR  25           HG1      THR  75 128.775  11.141   9.558
  404   1HG2  THR  25          HG21      THR  75 128.378   9.065  11.310
  405   2HG2  THR  25          HG22      THR  75 127.728   7.842  10.217
  406   3HG2  THR  25          HG23      THR  75 127.127   9.499  10.144
  407    H    PHE  26           HN       PHE  76 131.567   6.959   9.226
  408    HA   PHE  26           HA       PHE  76 130.871   5.540  11.679
  409   1HB   PHE  26          HB2       PHE  76 131.764   4.617   8.958
  410   2HB   PHE  26          HB1       PHE  76 131.553   3.520  10.311
  411    HD1  PHE  26           HD1      PHE  76 129.931   5.384   7.705
  412    HD2  PHE  26           HD2      PHE  76 129.246   3.351  11.374
  413    HE1  PHE  26           HE1      PHE  76 127.537   5.400   7.245
  414    HE2  PHE  26           HE2      PHE  76 126.827   3.341  10.921
  415    HZ   PHE  26           HZ       PHE  76 125.943   4.378   8.862
  416    H    LEU  27           HN       LEU  77 133.350   7.332  10.502
  417    HA   LEU  27           HA       LEU  77 135.359   5.698  11.875
  418   1HB   LEU  27          HB2       LEU  77 135.336   7.189   9.431
  419   2HB   LEU  27          HB1       LEU  77 136.573   7.830  10.494
  420    HG   LEU  27           HG       LEU  77 137.718   5.790  10.583
  421   1HD1  LEU  27          HD11      LEU  77 136.586   3.894  10.724
  422   2HD1  LEU  27          HD12      LEU  77 136.459   3.945   8.962
  423   3HD1  LEU  27          HD13      LEU  77 135.158   4.601   9.964
  424   1HD2  LEU  27          HD21      LEU  77 136.869   6.771   7.972
  425   2HD2  LEU  27          HD22      LEU  77 137.600   5.169   7.996
  426   3HD2  LEU  27          HD23      LEU  77 138.486   6.553   8.648
  427   1H    GLY   1           HT1      GLY 101 121.987   7.035 -11.332
  428   2H    GLY   1           HT2      GLY 101 121.877   6.260 -12.832
  429   3H    GLY   1           HT3      GLY 101 122.930   5.666 -11.650
  430   1HA   GLY   1          HA1       GLY 101 120.204   5.858 -10.759
  431   2HA   GLY   1          HA2       GLY 101 120.423   4.758 -12.110
  432    H    TYR   2           HN       TYR 102 122.400   3.234 -11.808
  433    HA   TYR   2           HA       TYR 102 122.513   2.369  -9.005
  434   1HB   TYR   2          HB2       TYR 102 121.980   0.768 -11.450
  435   2HB   TYR   2          HB1       TYR 102 122.694   0.012 -10.040
  436    HD1  TYR   2           HD1      TYR 102 121.136  -1.299  -8.983
  437    HD2  TYR   2           HD2      TYR 102 119.905   2.478 -10.496
  438    HE1  TYR   2           HE1      TYR 102 118.885  -1.667  -8.068
  439    HE2  TYR   2           HE2      TYR 102 117.656   2.125  -9.568
  440    HH   TYR   2           HH       TYR 102 116.222   0.397  -8.820
  441    H    ILE   3           HN       ILE 103 124.441   1.428  -8.281
  442    HA   ILE   3           HA       ILE 103 126.815   2.157  -9.807
  443    HB   ILE   3           HB       ILE 103 128.015   1.054  -7.838
  444   1HG1  ILE   3          HG12      ILE 103 125.244   1.315  -6.685
  445   2HG1  ILE   3          HG11      ILE 103 126.233  -0.126  -6.837
  446   1HG2  ILE   3          HG21      ILE 103 128.423   3.181  -7.473
  447   2HG2  ILE   3          HG22      ILE 103 127.019   3.245  -6.434
  448   3HG2  ILE   3          HG23      ILE 103 126.886   3.659  -8.139
  449   1HD1  ILE   3          HD11      ILE 103 127.869   0.987  -5.293
  450   2HD1  ILE   3          HD12      ILE 103 126.339   0.485  -4.585
  451   3HD1  ILE   3          HD13      ILE 103 126.620   2.182  -4.985
  452    HA   PRO   4           HA       PRO 104 127.693  -2.022 -10.884
  453   1HB   PRO   4          HB2       PRO 104 130.371  -1.692 -11.512
  454   2HB   PRO   4          HB1       PRO 104 129.048  -1.229 -12.584
  455   1HG   PRO   4          HG2       PRO 104 130.894   0.483 -11.185
  456   2HG   PRO   4          HG1       PRO 104 129.615   0.941 -12.318
  457   1HD   PRO   4          HD2       PRO 104 129.612   1.007  -9.373
  458   2HD   PRO   4          HD1       PRO 104 128.562   1.857 -10.521
  459    H    GLU   5           HN       GLU 105 128.566  -3.872 -10.157
  460    HA   GLU   5           HA       GLU 105 128.985  -4.095  -7.459
  461   1HB   GLU   5          HB2       GLU 105 128.152  -5.977  -8.580
  462   2HB   GLU   5          HB1       GLU 105 129.476  -5.987  -9.733
  463   1HG   GLU   5          HG2       GLU 105 130.474  -7.508  -8.501
  464   2HG   GLU   5          HG1       GLU 105 130.659  -6.332  -7.214
  465    H    ALA   6           HN       ALA 106 130.652  -4.491  -6.129
  466    HA   ALA   6           HA       ALA 106 133.244  -3.467  -6.921
  467   1HB   ALA   6          HB1       ALA 106 133.765  -3.439  -4.595
  468   2HB   ALA   6          HB2       ALA 106 132.410  -4.504  -4.218
  469   3HB   ALA   6          HB3       ALA 106 132.110  -2.856  -4.766
  470    HA   PRO   7           HA       PRO 107 135.592  -7.168  -7.431
  471   1HB   PRO   7          HB2       PRO 107 137.378  -6.357  -5.216
  472   2HB   PRO   7          HB1       PRO 107 137.760  -6.696  -6.906
  473   1HG   PRO   7          HG2       PRO 107 137.736  -4.194  -5.931
  474   2HG   PRO   7          HG1       PRO 107 137.238  -4.560  -7.591
  475   1HD   PRO   7          HD2       PRO 107 135.577  -3.898  -5.213
  476   2HD   PRO   7          HD1       PRO 107 135.306  -3.517  -6.923
  477    H    ARG   8           HN       ARG 108 136.032  -9.219  -6.548
  478    HA   ARG   8           HA       ARG 108 134.853  -9.712  -3.896
  479   1HB   ARG   8          HB2       ARG 108 134.807 -11.233  -6.408
  480   2HB   ARG   8          HB1       ARG 108 134.691 -12.105  -4.907
  481   1HG   ARG   8          HG2       ARG 108 132.490 -11.775  -5.488
  482   2HG   ARG   8          HG1       ARG 108 132.801 -10.477  -4.340
  483   1HD   ARG   8          HD2       ARG 108 131.568  -9.804  -6.416
  484   2HD   ARG   8          HD1       ARG 108 133.027  -8.887  -6.053
  485    HE   ARG   8           HE       ARG 108 133.889  -9.599  -8.035
  486   1HH1  ARG   8          HH11      ARG 108 131.387 -11.831  -7.069
  487   2HH1  ARG   8          HH12      ARG 108 131.514 -12.791  -8.504
  488   1HH2  ARG   8          HH21      ARG 108 134.073 -10.865  -9.917
  489   2HH2  ARG   8          HH22      ARG 108 133.044 -12.243 -10.125
  490    H    ASP   9           HN       ASP 109 136.901  -9.252  -2.992
  491    HA   ASP   9           HA       ASP 109 138.732 -11.561  -3.097
  492   1HB   ASP   9          HB2       ASP 109 140.537  -9.901  -2.422
  493   2HB   ASP   9          HB1       ASP 109 139.971  -9.804  -4.084
  494    H    GLY  10           HN       GLY 110 136.409 -10.384  -1.334
  495   1HA   GLY  10          HA2       GLY 110 135.856 -10.791   0.880
  496   2HA   GLY  10          HA1       GLY 110 137.497 -11.351   1.162
  497    H    GLN  11           HN       GLN 111 137.427  -8.340  -0.379
  498    HA   GLN  11           HA       GLN 111 138.030  -7.039   2.164
  499   1HB   GLN  11          HB2       GLN 111 138.994  -6.716  -0.539
  500   2HB   GLN  11          HB1       GLN 111 138.602  -5.211   0.200
  501   1HG   GLN  11          HG2       GLN 111 140.434  -7.241   1.462
  502   2HG   GLN  11          HG1       GLN 111 140.995  -6.011   0.361
  503   1HE2  GLN  11          HE21      GLN 111 139.307  -6.391   3.417
  504   2HE2  GLN  11          HE22      GLN 111 139.876  -4.934   4.122
  505    H    ALA  12           HN       ALA 112 137.132  -5.038   2.612
  506    HA   ALA  12           HA       ALA 112 134.458  -4.692   1.522
  507   1HB   ALA  12          HB1       ALA 112 135.487  -4.534   4.109
  508   2HB   ALA  12          HB2       ALA 112 133.859  -4.105   3.583
  509   3HB   ALA  12          HB3       ALA 112 135.115  -2.869   3.662
  510    H    TYR  13           HN       TYR 113 133.770  -3.046   0.445
  511    HA   TYR  13           HA       TYR 113 135.710  -0.938  -0.183
  512   1HB   TYR  13          HB2       TYR 113 133.645  -2.273  -1.876
  513   2HB   TYR  13          HB1       TYR 113 134.297  -0.738  -2.291
  514    HD1  TYR  13           HD1      TYR 113 134.789  -4.185  -2.510
  515    HD2  TYR  13           HD2      TYR 113 136.848  -0.519  -2.334
  516    HE1  TYR  13           HE1      TYR 113 136.800  -5.289  -3.401
  517    HE2  TYR  13           HE2      TYR 113 138.865  -1.584  -3.189
  518    HH   TYR  13           HH       TYR 113 138.851  -4.804  -4.468
  519    H    VAL  14           HN       VAL 114 134.853   1.106  -0.598
  520    HA   VAL  14           HA       VAL 114 132.208   1.625   0.549
  521    HB   VAL  14           HB       VAL 114 134.617   3.422   0.829
  522   1HG1  VAL  14          HG11      VAL 114 132.742   4.713   1.348
  523   2HG1  VAL  14          HG12      VAL 114 133.226   4.093   2.919
  524   3HG1  VAL  14          HG13      VAL 114 131.894   3.344   2.062
  525   1HG2  VAL  14          HG21      VAL 114 135.423   2.205   2.524
  526   2HG2  VAL  14          HG22      VAL 114 134.445   0.897   1.875
  527   3HG2  VAL  14          HG23      VAL 114 133.818   1.889   3.182
  528    H    ARG  15           HN       ARG 115 130.941   2.901  -0.680
  529    HA   ARG  15           HA       ARG 115 131.893   3.275  -3.345
  530   1HB   ARG  15          HB2       ARG 115 129.469   2.703  -2.200
  531   2HB   ARG  15          HB1       ARG 115 129.232   4.333  -2.691
  532   1HG   ARG  15          HG2       ARG 115 129.231   1.926  -4.253
  533   2HG   ARG  15          HG1       ARG 115 128.607   3.507  -4.672
  534   1HD   ARG  15          HD2       ARG 115 131.309   3.834  -4.946
  535   2HD   ARG  15          HD1       ARG 115 131.081   2.154  -5.402
  536    HE   ARG  15           HE       ARG 115 129.621   4.365  -6.705
  537   1HH1  ARG  15          HH11      ARG 115 131.479   1.408  -6.861
  538   2HH1  ARG  15          HH12      ARG 115 131.405   1.298  -8.584
  539   1HH2  ARG  15          HH21      ARG 115 129.558   4.189  -9.027
  540   2HH2  ARG  15          HH22      ARG 115 130.332   2.852  -9.793
  541    H    LYS  16           HN       LYS 116 133.083   4.841  -3.900
  542    HA   LYS  16           HA       LYS 116 132.420   7.581  -3.143
  543   1HB   LYS  16          HB2       LYS 116 134.205   7.614  -1.784
  544   2HB   LYS  16          HB1       LYS 116 134.832   6.125  -2.433
  545   1HG   LYS  16          HG2       LYS 116 135.823   7.383  -4.298
  546   2HG   LYS  16          HG1       LYS 116 135.198   8.877  -3.597
  547   1HD   LYS  16          HD2       LYS 116 136.781   7.166  -1.795
  548   2HD   LYS  16          HD1       LYS 116 137.666   7.928  -3.120
  549   1HE   LYS  16          HE2       LYS 116 137.542   9.937  -2.177
  550   2HE   LYS  16          HE1       LYS 116 135.845   9.728  -1.766
  551   1HZ   LYS  16          HZ1       LYS 116 138.229   9.084  -0.195
  552   2HZ   LYS  16          HZ2       LYS 116 136.823   8.172   0.041
  553   3HZ   LYS  16          HZ3       LYS 116 136.794   9.843   0.286
  554    H    ASP  17           HN       ASP 117 132.239   8.838  -4.914
  555    HA   ASP  17           HA       ASP 117 132.470   9.566  -7.066
  556   1HB   ASP  17          HB2       ASP 117 135.055   9.190  -5.920
  557   2HB   ASP  17          HB1       ASP 117 135.153   8.744  -7.614
  558    H    GLY  18           HN       GLY 118 131.214   7.134  -7.061
  559   1HA   GLY  18          HA2       GLY 118 130.583   5.507  -8.514
  560   2HA   GLY  18          HA1       GLY 118 131.595   6.284  -9.710
  561    H    GLU  19           HN       GLU 119 133.360   5.261  -6.884
  562    HA   GLU  19           HA       GLU 119 133.999   2.750  -8.218
  563   1HB   GLU  19          HB2       GLU 119 136.398   3.583  -7.060
  564   2HB   GLU  19          HB1       GLU 119 136.007   3.526  -8.765
  565   1HG   GLU  19          HG2       GLU 119 135.370   5.818  -8.783
  566   2HG   GLU  19          HG1       GLU 119 135.487   5.910  -7.030
  567    H    TRP  20           HN       TRP 120 135.128   1.217  -6.838
  568    HA   TRP  20           HA       TRP 120 134.039   1.341  -4.150
  569   1HB   TRP  20          HB2       TRP 120 135.176  -0.967  -5.753
  570   2HB   TRP  20          HB1       TRP 120 134.729  -1.076  -4.062
  571    HD1  TRP  20           HD1      TRP 120 133.143  -1.530  -7.358
  572    HE1  TRP  20           HE1      TRP 120 130.562  -1.432  -7.116
  573    HE3  TRP  20           HE3      TRP 120 132.842   0.346  -2.627
  574    HZ2  TRP  20           HZ2      TRP 120 128.711  -0.663  -5.166
  575    HZ3  TRP  20           HZ3      TRP 120 130.637   0.718  -1.648
  576    HH2  TRP  20           HH2      TRP 120 128.611   0.237  -2.903
  577    H    VAL  21           HN       VAL 121 135.238   2.083  -2.591
  578    HA   VAL  21           HA       VAL 121 138.162   1.921  -2.814
  579    HB   VAL  21           HB       VAL 121 138.358   3.900  -1.616
  580   1HG1  VAL  21          HG11      VAL 121 136.872   5.484  -2.669
  581   2HG1  VAL  21          HG12      VAL 121 135.769   4.183  -3.121
  582   3HG1  VAL  21          HG13      VAL 121 137.387   4.257  -3.826
  583   1HG2  VAL  21          HG21      VAL 121 136.912   3.301   0.284
  584   2HG2  VAL  21          HG22      VAL 121 135.495   3.625  -0.712
  585   3HG2  VAL  21          HG23      VAL 121 136.586   4.939  -0.285
  586    H    LEU  22           HN       LEU 122 139.285   0.846  -1.498
  587    HA   LEU  22           HA       LEU 122 138.269  -1.037   0.191
  588   1HB   LEU  22          HB2       LEU 122 140.822   0.081  -0.460
  589   2HB   LEU  22          HB1       LEU 122 140.751  -0.437   1.220
  590    HG   LEU  22           HG       LEU 122 140.498  -2.075  -1.271
  591   1HD1  LEU  22          HD11      LEU 122 142.562  -2.533  -0.587
  592   2HD1  LEU  22          HD12      LEU 122 141.773  -3.523   0.645
  593   3HD1  LEU  22          HD13      LEU 122 142.267  -1.871   1.020
  594   1HD2  LEU  22          HD21      LEU 122 138.596  -2.898  -0.268
  595   2HD2  LEU  22          HD22      LEU 122 139.214  -2.619   1.366
  596   3HD2  LEU  22          HD23      LEU 122 139.858  -3.933   0.382
  597    H    LEU  23           HN       LEU 123 137.346  -1.022   2.050
  598    HA   LEU  23           HA       LEU 123 136.793   1.286   3.522
  599   1HB   LEU  23          HB2       LEU 123 135.396  -0.617   3.658
  600   2HB   LEU  23          HB1       LEU 123 136.709  -1.632   4.205
  601    HG   LEU  23           HG       LEU 123 136.809  -0.019   6.246
  602   1HD1  LEU  23          HD11      LEU 123 134.133   0.602   5.077
  603   2HD1  LEU  23          HD12      LEU 123 135.346   1.694   5.747
  604   3HD1  LEU  23          HD13      LEU 123 134.407   0.656   6.818
  605   1HD2  LEU  23          HD21      LEU 123 134.614  -1.404   7.048
  606   2HD2  LEU  23          HD22      LEU 123 136.264  -2.024   7.014
  607   3HD2  LEU  23          HD23      LEU 123 135.171  -2.355   5.670
  608    H    SER  24           HN       SER 124 139.187  -1.276   3.987
  609    HA   SER  24           HA       SER 124 140.151  -0.408   6.468
  610   1HB   SER  24          HB2       SER 124 140.696  -2.515   4.771
  611   2HB   SER  24          HB1       SER 124 142.197  -1.590   4.736
  612    HG   SER  24           HG       SER 124 142.169  -1.670   7.050
  613    H    THR  25           HN       THR 125 140.604   0.918   3.300
  614    HA   THR  25           HA       THR 125 143.059   2.261   3.855
  615    HB   THR  25           HB       THR 125 140.863   2.829   1.860
  616    HG1  THR  25           HG1      THR 125 143.492   1.822   1.543
  617   1HG2  THR  25          HG21      THR 125 143.080   4.059   0.857
  618   2HG2  THR  25          HG22      THR 125 143.137   4.506   2.562
  619   3HG2  THR  25          HG23      THR 125 141.702   4.869   1.602
  620    H    PHE  26           HN       PHE 126 139.813   2.574   4.790
  621    HA   PHE  26           HA       PHE 126 140.084   5.326   5.703
  622   1HB   PHE  26          HB2       PHE 126 137.705   3.506   5.380
  623   2HB   PHE  26          HB1       PHE 126 137.604   5.061   6.167
  624    HD1  PHE  26           HD1      PHE 126 138.564   3.467   2.931
  625    HD2  PHE  26           HD2      PHE 126 137.364   7.030   4.925
  626    HE1  PHE  26           HE1      PHE 126 138.328   4.610   0.741
  627    HE2  PHE  26           HE2      PHE 126 137.125   8.168   2.759
  628    HZ   PHE  26           HZ       PHE 126 137.606   6.959   0.663
  629    H    LEU  27           HN       LEU 127 140.522   2.203   6.874
  630    HA   LEU  27           HA       LEU 127 139.797   3.014   9.594
  631   1HB   LEU  27          HB2       LEU 127 139.330   0.676   8.186
  632   2HB   LEU  27          HB1       LEU 127 140.670   0.261   9.236
  633    HG   LEU  27           HG       LEU 127 139.374   0.864  11.196
  634   1HD1  LEU  27          HD11      LEU 127 136.800   1.104   9.869
  635   2HD1  LEU  27          HD12      LEU 127 137.883   2.461   9.522
  636   3HD1  LEU  27          HD13      LEU 127 137.487   2.053  11.193
  637   1HD2  LEU  27          HD21      LEU 127 138.929  -1.291   9.532
  638   2HD2  LEU  27          HD22      LEU 127 137.310  -0.710   9.952
  639   3HD2  LEU  27          HD23      LEU 127 138.464  -1.139  11.227
  Start of MODEL    7
    1   1H    GLY   1           HT1      GLY   1 129.638  -4.622 -13.492
    2   2H    GLY   1           HT2      GLY   1 128.976  -4.777 -15.040
    3   3H    GLY   1           HT3      GLY   1 129.626  -6.130 -14.261
    4   1HA   GLY   1          HA1       GLY   1 126.999  -5.281 -14.242
    5   2HA   GLY   1          HA2       GLY   1 127.702  -6.602 -13.313
    6    H    TYR   2           HN       TYR   2 125.566  -5.236 -12.187
    7    HA   TYR   2           HA       TYR   2 126.830  -3.415 -10.256
    8   1HB   TYR   2          HB2       TYR   2 123.940  -3.692 -11.076
    9   2HB   TYR   2          HB1       TYR   2 124.488  -2.679  -9.753
   10    HD1  TYR   2           HD1      TYR   2 123.058  -1.117 -11.300
   11    HD2  TYR   2           HD2      TYR   2 126.939  -2.523 -12.285
   12    HE1  TYR   2           HE1      TYR   2 123.334   0.767 -12.855
   13    HE2  TYR   2           HE2      TYR   2 127.236  -0.646 -13.839
   14    HH   TYR   2           HH       TYR   2 126.368   1.264 -14.625
   15    H    ILE   3           HN       ILE   3 125.989  -3.460  -8.054
   16    HA   ILE   3           HA       ILE   3 125.748  -6.207  -7.079
   17    HB   ILE   3           HB       ILE   3 125.684  -4.805  -4.816
   18   1HG1  ILE   3          HG12      ILE   3 127.565  -3.160  -6.482
   19   2HG1  ILE   3          HG11      ILE   3 125.903  -2.681  -6.191
   20   1HG2  ILE   3          HG21      ILE   3 127.357  -6.556  -5.856
   21   2HG2  ILE   3          HG22      ILE   3 127.736  -5.647  -4.395
   22   3HG2  ILE   3          HG23      ILE   3 128.389  -5.137  -5.946
   23   1HD1  ILE   3          HD11      ILE   3 126.810  -3.282  -3.686
   24   2HD1  ILE   3          HD12      ILE   3 126.679  -1.666  -4.376
   25   3HD1  ILE   3          HD13      ILE   3 128.204  -2.540  -4.451
   26    HA   PRO   4           HA       PRO   4 121.569  -5.532  -5.833
   27   1HB   PRO   4          HB2       PRO   4 121.327  -7.568  -4.025
   28   2HB   PRO   4          HB1       PRO   4 121.409  -7.848  -5.766
   29   1HG   PRO   4          HG2       PRO   4 123.400  -8.432  -3.710
   30   2HG   PRO   4          HG1       PRO   4 123.326  -8.997  -5.384
   31   1HD   PRO   4          HD2       PRO   4 124.929  -6.844  -4.252
   32   2HD   PRO   4          HD1       PRO   4 124.997  -7.555  -5.878
   33    H    GLU   5           HN       GLU   5 120.365  -4.544  -4.385
   34    HA   GLU   5           HA       GLU   5 121.398  -2.750  -2.618
   35   1HB   GLU   5          HB2       GLU   5 119.227  -2.390  -3.426
   36   2HB   GLU   5          HB1       GLU   5 118.668  -3.970  -2.904
   37   1HG   GLU   5          HG2       GLU   5 117.771  -2.931  -1.181
   38   2HG   GLU   5          HG1       GLU   5 119.389  -2.749  -0.543
   39    H    ALA   6           HN       ALA   6 121.677  -2.567  -0.460
   40    HA   ALA   6           HA       ALA   6 122.033  -5.014   1.080
   41   1HB   ALA   6          HB1       ALA   6 122.538  -2.422   2.388
   42   2HB   ALA   6          HB2       ALA   6 123.503  -2.733   0.950
   43   3HB   ALA   6          HB3       ALA   6 123.558  -3.857   2.306
   44    HA   PRO   7           HA       PRO   7 118.461  -4.821   3.687
   45   1HB   PRO   7          HB2       PRO   7 120.117  -4.425   6.106
   46   2HB   PRO   7          HB1       PRO   7 118.986  -5.723   5.721
   47   1HG   PRO   7          HG2       PRO   7 121.661  -6.087   5.697
   48   2HG   PRO   7          HG1       PRO   7 120.570  -6.952   4.598
   49   1HD   PRO   7          HD2       PRO   7 122.396  -4.673   4.050
   50   2HD   PRO   7          HD1       PRO   7 121.900  -6.004   2.991
   51    H    ARG   8           HN       ARG   8 117.078  -3.301   4.657
   52    HA   ARG   8           HA       ARG   8 118.223  -0.620   4.989
   53   1HB   ARG   8          HB2       ARG   8 115.517  -1.448   4.075
   54   2HB   ARG   8          HB1       ARG   8 115.907   0.201   4.515
   55   1HG   ARG   8          HG2       ARG   8 117.711   0.142   2.783
   56   2HG   ARG   8          HG1       ARG   8 117.084  -1.423   2.272
   57   1HD   ARG   8          HD2       ARG   8 114.902  -0.369   1.826
   58   2HD   ARG   8          HD1       ARG   8 115.588   1.191   2.275
   59    HE   ARG   8           HE       ARG   8 116.979  -0.182   0.156
   60   1HH1  ARG   8          HH11      ARG   8 114.456   2.092   0.970
   61   2HH1  ARG   8          HH12      ARG   8 114.463   2.847  -0.587
   62   1HH2  ARG   8          HH21      ARG   8 116.981   0.816  -1.898
   63   2HH2  ARG   8          HH22      ARG   8 115.892   2.124  -2.212
   64    H    ASP   9           HN       ASP   9 118.654  -1.717   7.173
   65    HA   ASP   9           HA       ASP   9 116.393  -1.209   9.025
   66   1HB   ASP   9          HB2       ASP   9 117.508  -2.728  10.591
   67   2HB   ASP   9          HB1       ASP   9 117.166  -3.546   9.069
   68    H    GLY  10           HN       GLY  10 118.638   0.567   7.871
   69   1HA   GLY  10          HA2       GLY  10 119.633   2.470   8.706
   70   2HA   GLY  10          HA1       GLY  10 119.119   2.040  10.321
   71    H    GLN  11           HN       GLN  11 120.774  -0.437   8.618
   72    HA   GLN  11           HA       GLN  11 123.114   0.157  10.241
   73   1HB   GLN  11          HB2       GLN  11 122.240  -2.399   9.022
   74   2HB   GLN  11          HB1       GLN  11 123.759  -2.224   9.819
   75   1HG   GLN  11          HG2       GLN  11 121.169  -1.627  11.203
   76   2HG   GLN  11          HG1       GLN  11 121.843  -3.244  11.131
   77   1HE2  GLN  11          HE21      GLN  11 122.853   0.066  11.972
   78   2HE2  GLN  11          HE22      GLN  11 123.803  -0.399  13.333
   79    H    ALA  12           HN       ALA  12 125.109   0.298   9.312
   80    HA   ALA  12           HA       ALA  12 125.062   0.839   6.470
   81   1HB   ALA  12          HB1       ALA  12 127.616   1.366   7.581
   82   2HB   ALA  12          HB2       ALA  12 126.402   1.965   8.699
   83   3HB   ALA  12          HB3       ALA  12 126.402   2.516   7.027
   84    H    TYR  13           HN       TYR  13 126.052  -0.250   4.992
   85    HA   TYR  13           HA       TYR  13 127.545  -2.638   5.844
   86   1HB   TYR  13          HB2       TYR  13 125.619  -2.218   3.604
   87   2HB   TYR  13          HB1       TYR  13 126.744  -3.527   3.597
   88    HD1  TYR  13           HD1      TYR  13 123.604  -2.412   4.797
   89    HD2  TYR  13           HD2      TYR  13 126.794  -5.035   5.612
   90    HE1  TYR  13           HE1      TYR  13 122.169  -3.658   6.360
   91    HE2  TYR  13           HE2      TYR  13 125.399  -6.292   7.158
   92    HH   TYR  13           HH       TYR  13 122.682  -5.223   8.486
   93    H    VAL  14           HN       VAL  14 129.186  -3.309   4.626
   94    HA   VAL  14           HA       VAL  14 130.471  -1.352   2.834
   95    HB   VAL  14           HB       VAL  14 132.148  -3.537   3.458
   96   1HG1  VAL  14          HG11      VAL  14 133.317  -1.651   4.909
   97   2HG1  VAL  14          HG12      VAL  14 132.182  -0.628   4.026
   98   3HG1  VAL  14          HG13      VAL  14 133.344  -1.624   3.147
   99   1HG2  VAL  14          HG21      VAL  14 131.098  -4.230   5.361
  100   2HG2  VAL  14          HG22      VAL  14 130.589  -2.599   5.800
  101   3HG2  VAL  14          HG23      VAL  14 132.264  -3.081   6.007
  102    H    ARG  15           HN       ARG  15 131.419  -2.275   0.895
  103    HA   ARG  15           HA       ARG  15 129.900  -4.644   0.132
  104   1HB   ARG  15          HB2       ARG  15 130.134  -2.174  -1.084
  105   2HB   ARG  15          HB1       ARG  15 131.170  -3.159  -2.028
  106   1HG   ARG  15          HG2       ARG  15 128.275  -3.146  -1.782
  107   2HG   ARG  15          HG1       ARG  15 129.253  -3.409  -3.179
  108   1HD   ARG  15          HD2       ARG  15 128.926  -5.473  -1.034
  109   2HD   ARG  15          HD1       ARG  15 127.800  -5.288  -2.346
  110    HE   ARG  15           HE       ARG  15 129.860  -6.897  -2.582
  111   1HH1  ARG  15          HH11      ARG  15 129.243  -3.899  -4.210
  112   2HH1  ARG  15          HH12      ARG  15 130.396  -4.193  -5.437
  113   1HH2  ARG  15          HH21      ARG  15 131.332  -7.326  -4.183
  114   2HH2  ARG  15          HH22      ARG  15 131.576  -6.191  -5.451
  115    H    LYS  16           HN       LYS  16 130.898  -6.420   0.140
  116    HA   LYS  16           HA       LYS  16 133.636  -6.683  -0.801
  117   1HB   LYS  16          HB2       LYS  16 134.608  -7.331   1.176
  118   2HB   LYS  16          HB1       LYS  16 133.426  -6.202   1.819
  119   1HG   LYS  16          HG2       LYS  16 132.010  -7.965   2.529
  120   2HG   LYS  16          HG1       LYS  16 132.924  -9.174   1.616
  121   1HD   LYS  16          HD2       LYS  16 134.253  -7.546   3.759
  122   2HD   LYS  16          HD1       LYS  16 133.307  -8.976   4.175
  123   1HE   LYS  16          HE2       LYS  16 135.795  -8.744   2.572
  124   2HE   LYS  16          HE1       LYS  16 135.492  -9.757   3.974
  125   1HZ   LYS  16          HZ1       LYS  16 133.714 -10.792   2.368
  126   2HZ   LYS  16          HZ2       LYS  16 135.324 -11.301   2.333
  127   3HZ   LYS  16          HZ3       LYS  16 134.761 -10.202   1.178
  128    H    ASP  17           HN       ASP  17 133.840  -8.541  -1.908
  129    HA   ASP  17           HA       ASP  17 133.308 -10.583  -2.780
  130   1HB   ASP  17          HB2       ASP  17 133.391 -10.789   0.059
  131   2HB   ASP  17          HB1       ASP  17 132.136 -11.839  -0.542
  132    H    GLY  18           HN       GLY  18 131.322  -8.675  -3.241
  133   1HA   GLY  18          HA2       GLY  18 129.191  -8.516  -4.021
  134   2HA   GLY  18          HA1       GLY  18 129.171 -10.266  -4.039
  135    H    GLU  19           HN       GLU  19 129.669  -8.843  -0.857
  136    HA   GLU  19           HA       GLU  19 126.818  -9.125  -0.357
  137   1HB   GLU  19          HB2       GLU  19 128.421  -9.895   1.917
  138   2HB   GLU  19          HB1       GLU  19 127.127 -10.757   1.121
  139   1HG   GLU  19          HG2       GLU  19 128.547 -12.205   0.260
  140   2HG   GLU  19          HG1       GLU  19 129.474 -10.910  -0.480
  141    H    TRP  20           HN       TRP  20 126.112  -8.127   1.650
  142    HA   TRP  20           HA       TRP  20 127.594  -5.664   2.116
  143   1HB   TRP  20          HB2       TRP  20 124.703  -6.351   2.725
  144   2HB   TRP  20          HB1       TRP  20 125.485  -4.849   3.158
  145    HD1  TRP  20           HD1      TRP  20 123.550  -6.298   0.382
  146    HE1  TRP  20           HE1      TRP  20 123.746  -4.793  -1.712
  147    HE3  TRP  20           HE3      TRP  20 127.426  -3.330   1.865
  148    HZ2  TRP  20           HZ2      TRP  20 125.322  -2.650  -2.588
  149    HZ3  TRP  20           HZ3      TRP  20 128.223  -1.587   0.335
  150    HH2  TRP  20           HH2      TRP  20 127.197  -1.277  -1.853
  151    H    VAL  21           HN       VAL  21 128.921  -5.677   3.786
  152    HA   VAL  21           HA       VAL  21 128.157  -7.199   6.200
  153    HB   VAL  21           HB       VAL  21 130.931  -6.160   5.613
  154   1HG1  VAL  21          HG11      VAL  21 130.700  -6.558   7.898
  155   2HG1  VAL  21          HG12      VAL  21 131.449  -8.034   7.287
  156   3HG1  VAL  21          HG13      VAL  21 129.722  -8.003   7.644
  157   1HG2  VAL  21          HG21      VAL  21 129.881  -8.092   4.060
  158   2HG2  VAL  21          HG22      VAL  21 130.468  -9.066   5.408
  159   3HG2  VAL  21          HG23      VAL  21 131.582  -8.026   4.521
  160    H    LEU  22           HN       LEU  22 128.054  -6.248   8.091
  161    HA   LEU  22           HA       LEU  22 127.383  -3.579   8.237
  162   1HB   LEU  22          HB2       LEU  22 127.599  -5.786   9.953
  163   2HB   LEU  22          HB1       LEU  22 128.319  -4.391  10.751
  164    HG   LEU  22           HG       LEU  22 125.501  -4.717   9.750
  165   1HD1  LEU  22          HD11      LEU  22 125.741  -5.480  11.936
  166   2HD1  LEU  22          HD12      LEU  22 125.079  -3.852  12.076
  167   3HD1  LEU  22          HD13      LEU  22 126.793  -4.137  12.372
  168   1HD2  LEU  22          HD21      LEU  22 127.092  -2.268   9.916
  169   2HD2  LEU  22          HD22      LEU  22 125.579  -2.202  10.818
  170   3HD2  LEU  22          HD23      LEU  22 125.562  -2.575   9.094
  171    H    LEU  23           HN       LEU  23 128.439  -1.781   8.304
  172    HA   LEU  23           HA       LEU  23 131.192  -1.521   7.928
  173   1HB   LEU  23          HB2       LEU  23 129.553   0.180   7.354
  174   2HB   LEU  23          HB1       LEU  23 129.138   0.399   9.027
  175    HG   LEU  23           HG       LEU  23 131.049   1.620   9.501
  176   1HD1  LEU  23          HD11      LEU  23 132.308   0.594   6.965
  177   2HD1  LEU  23          HD12      LEU  23 132.710   0.084   8.603
  178   3HD1  LEU  23          HD13      LEU  23 133.027   1.743   8.094
  179   1HD2  LEU  23          HD21      LEU  23 131.112   3.374   7.912
  180   2HD2  LEU  23          HD22      LEU  23 129.473   2.726   7.916
  181   3HD2  LEU  23          HD23      LEU  23 130.585   2.303   6.615
  182    H    SER  24           HN       SER  24 129.217  -1.346  10.843
  183    HA   SER  24           HA       SER  24 131.216  -0.426  12.592
  184   1HB   SER  24          HB2       SER  24 128.537  -0.969  12.815
  185   2HB   SER  24          HB1       SER  24 129.255  -2.249  13.791
  186    HG   SER  24           HG       SER  24 129.942   0.485  14.066
  187    H    THR  25           HN       THR  25 130.777  -3.528  11.140
  188    HA   THR  25           HA       THR  25 132.120  -5.025  13.160
  189    HB   THR  25           HB       THR  25 131.595  -5.553  10.243
  190    HG1  THR  25           HG1      THR  25 129.860  -5.714  11.747
  191   1HG2  THR  25          HG21      THR  25 132.178  -7.998  11.228
  192   2HG2  THR  25          HG22      THR  25 133.398  -7.009  12.032
  193   3HG2  THR  25          HG23      THR  25 133.284  -7.011  10.271
  194    H    PHE  26           HN       PHE  26 133.028  -2.805  10.750
  195    HA   PHE  26           HA       PHE  26 135.825  -3.611  10.632
  196   1HB   PHE  26          HB2       PHE  26 134.133  -1.666   9.107
  197   2HB   PHE  26          HB1       PHE  26 135.876  -1.723   8.907
  198    HD1  PHE  26           HD1      PHE  26 132.710  -3.391   8.295
  199    HD2  PHE  26           HD2      PHE  26 136.928  -3.700   7.860
  200    HE1  PHE  26           HE1      PHE  26 132.395  -5.202   6.678
  201    HE2  PHE  26           HE2      PHE  26 136.632  -5.529   6.238
  202    HZ   PHE  26           HZ       PHE  26 134.369  -6.296   5.632
  203    H    LEU  27           HN       LEU  27 133.997  -1.760  12.627
  204    HA   LEU  27           HA       LEU  27 136.116   0.228  13.035
  205   1HB   LEU  27          HB2       LEU  27 133.328   0.209  14.159
  206   2HB   LEU  27          HB1       LEU  27 134.492   1.513  14.266
  207    HG   LEU  27           HG       LEU  27 132.618   0.853  12.128
  208   1HD1  LEU  27          HD11      LEU  27 134.050   3.364  12.003
  209   2HD1  LEU  27          HD12      LEU  27 133.374   3.035  13.608
  210   3HD1  LEU  27          HD13      LEU  27 132.322   3.043  12.192
  211   1HD2  LEU  27          HD21      LEU  27 134.249   1.949  10.446
  212   2HD2  LEU  27          HD22      LEU  27 134.303   0.200  10.705
  213   3HD2  LEU  27          HD23      LEU  27 135.499   1.243  11.476
  214   1H    GLY   1           HT1      GLY  51 116.937  -4.349  -3.809
  215   2H    GLY   1           HT2      GLY  51 116.225  -5.780  -3.257
  216   3H    GLY   1           HT3      GLY  51 115.473  -4.877  -4.473
  217   1HA   GLY   1          HA1       GLY  51 117.299  -6.961  -4.761
  218   2HA   GLY   1          HA2       GLY  51 116.541  -6.009  -6.026
  219    H    TYR   2           HN       TYR  52 117.600  -3.743  -6.293
  220    HA   TYR   2           HA       TYR  52 120.506  -3.962  -5.943
  221   1HB   TYR   2          HB2       TYR  52 118.975  -3.654  -8.460
  222   2HB   TYR   2          HB1       TYR  52 120.445  -2.710  -8.302
  223    HD1  TYR   2           HD1      TYR  52 122.154  -3.655  -9.507
  224    HD2  TYR   2           HD2      TYR  52 119.522  -6.219  -7.368
  225    HE1  TYR   2           HE1      TYR  52 123.476  -5.600 -10.217
  226    HE2  TYR   2           HE2      TYR  52 120.842  -8.169  -8.061
  227    HH   TYR   2           HH       TYR  52 123.908  -7.853  -9.631
  228    H    ILE   3           HN       ILE  53 121.522  -2.121  -5.343
  229    HA   ILE   3           HA       ILE  53 119.882   0.169  -4.642
  230    HB   ILE   3           HB       ILE  53 122.048   1.127  -3.789
  231   1HG1  ILE   3          HG12      ILE  53 122.969  -1.696  -4.311
  232   2HG1  ILE   3          HG11      ILE  53 123.607  -0.209  -4.983
  233   1HG2  ILE   3          HG21      ILE  53 120.444  -1.034  -2.706
  234   2HG2  ILE   3          HG22      ILE  53 120.919   0.499  -1.986
  235   3HG2  ILE   3          HG23      ILE  53 122.022  -0.880  -1.950
  236   1HD1  ILE   3          HD11      ILE  53 125.154  -0.755  -3.367
  237   2HD1  ILE   3          HD12      ILE  53 123.916  -1.294  -2.233
  238   3HD1  ILE   3          HD13      ILE  53 124.126   0.425  -2.555
  239    HA   PRO   4           HA       PRO  54 121.520   2.801  -7.767
  240   1HB   PRO   4          HB2       PRO  54 120.694   5.174  -6.835
  241   2HB   PRO   4          HB1       PRO  54 119.517   3.946  -7.320
  242   1HG   PRO   4          HG2       PRO  54 120.314   4.820  -4.603
  243   2HG   PRO   4          HG1       PRO  54 118.784   4.124  -5.157
  244   1HD   PRO   4          HD2       PRO  54 120.968   2.774  -3.860
  245   2HD   PRO   4          HD1       PRO  54 119.449   2.073  -4.462
  246    H    GLU   5           HN       GLU  55 123.199   4.114  -8.290
  247    HA   GLU   5           HA       GLU  55 125.482   3.912  -6.752
  248   1HB   GLU   5          HB2       GLU  55 125.776   4.219  -9.066
  249   2HB   GLU   5          HB1       GLU  55 124.795   5.677  -9.093
  250   1HG   GLU   5          HG2       GLU  55 126.596   6.926  -8.830
  251   2HG   GLU   5          HG1       GLU  55 126.996   6.106  -7.331
  252    H    ALA   6           HN       ALA  56 126.623   5.246  -5.512
  253    HA   ALA   6           HA       ALA  56 125.285   7.347  -4.049
  254   1HB   ALA   6          HB1       ALA  56 128.151   6.658  -3.639
  255   2HB   ALA   6          HB2       ALA  56 126.920   5.480  -3.199
  256   3HB   ALA   6          HB3       ALA  56 126.916   7.075  -2.456
  257    HA   PRO   7           HA       PRO  57 126.720  11.092  -5.874
  258   1HB   PRO   7          HB2       PRO  57 128.158  11.969  -3.534
  259   2HB   PRO   7          HB1       PRO  57 126.628  12.552  -4.161
  260   1HG   PRO   7          HG2       PRO  57 127.127  10.756  -1.950
  261   2HG   PRO   7          HG1       PRO  57 125.628  11.561  -2.409
  262   1HD   PRO   7          HD2       PRO  57 126.094   8.858  -2.617
  263   2HD   PRO   7          HD1       PRO  57 124.880   9.747  -3.552
  264    H    ARG   8           HN       ARG  58 128.527  12.078  -6.773
  265    HA   ARG   8           HA       ARG  58 131.068  10.640  -6.437
  266   1HB   ARG   8          HB2       ARG  58 129.794  11.892  -8.786
  267   2HB   ARG   8          HB1       ARG  58 131.532  11.671  -8.738
  268   1HG   ARG   8          HG2       ARG  58 130.960   9.245  -8.099
  269   2HG   ARG   8          HG1       ARG  58 129.359   9.627  -8.726
  270   1HD   ARG   8          HD2       ARG  58 131.383   8.652 -10.185
  271   2HD   ARG   8          HD1       ARG  58 130.044   9.584 -10.831
  272    HE   ARG   8           HE       ARG  58 132.564  10.894 -10.073
  273   1HH1  ARG   8          HH11      ARG  58 130.156  10.124 -12.494
  274   2HH1  ARG   8          HH12      ARG  58 130.812  11.215 -13.664
  275   1HH2  ARG   8          HH21      ARG  58 133.420  12.322 -11.624
  276   2HH2  ARG   8          HH22      ARG  58 132.660  12.458 -13.174
  277    H    ASP   9           HN       ASP  59 131.038  12.278  -4.535
  278    HA   ASP   9           HA       ASP  59 132.237  14.851  -5.375
  279   1HB   ASP   9          HB2       ASP  59 131.685  15.663  -3.141
  280   2HB   ASP   9          HB1       ASP  59 130.244  15.051  -3.946
  281    H    GLY  10           HN       GLY  60 133.446  12.003  -4.889
  282   1HA   GLY  10          HA2       GLY  60 135.616  11.389  -4.326
  283   2HA   GLY  10          HA1       GLY  60 135.898  13.012  -3.730
  284    H    GLN  11           HN       GLN  61 133.083  11.532  -2.515
  285    HA   GLN  11           HA       GLN  61 134.497  11.005  -0.013
  286   1HB   GLN  11          HB2       GLN  61 131.651  11.689  -0.513
  287   2HB   GLN  11          HB1       GLN  61 132.231  11.175   1.010
  288   1HG   GLN  11          HG2       GLN  61 133.171  13.615  -0.431
  289   2HG   GLN  11          HG1       GLN  61 131.937  13.599   0.828
  290   1HE2  GLN  11          HE21      GLN  61 133.739  15.222   1.451
  291   2HE2  GLN  11          HE22      GLN  61 134.920  14.625   2.553
  292    H    ALA  12           HN       ALA  62 134.074   9.160   1.141
  293    HA   ALA  12           HA       ALA  62 133.094   6.940  -0.461
  294   1HB   ALA  12          HB1       ALA  62 135.290   7.135   1.076
  295   2HB   ALA  12          HB2       ALA  62 134.479   5.609   0.733
  296   3HB   ALA  12          HB3       ALA  62 134.161   6.458   2.246
  297    H    TYR  13           HN       TYR  63 131.371   5.845  -0.022
  298    HA   TYR  13           HA       TYR  63 129.726   6.724   2.266
  299   1HB   TYR  13          HB2       TYR  63 128.957   6.010  -0.520
  300   2HB   TYR  13          HB1       TYR  63 127.845   5.994   0.780
  301    HD1  TYR  13           HD1      TYR  63 129.489   8.072  -1.549
  302    HD2  TYR  13           HD2      TYR  63 127.557   8.032   2.191
  303    HE1  TYR  13           HE1      TYR  63 129.233  10.527  -1.665
  304    HE2  TYR  13           HE2      TYR  63 127.300  10.443   2.120
  305    HH   TYR  13           HH       TYR  63 127.563  12.248  -0.585
  306    H    VAL  14           HN       VAL  64 128.336   5.212   3.129
  307    HA   VAL  14           HA       VAL  64 128.974   2.437   2.515
  308    HB   VAL  14           HB       VAL  64 129.789   2.703   4.644
  309   1HG1  VAL  14          HG11      VAL  64 128.960   3.923   6.422
  310   2HG1  VAL  14          HG12      VAL  64 127.330   3.952   5.757
  311   3HG1  VAL  14          HG13      VAL  64 128.600   4.923   5.026
  312   1HG2  VAL  14          HG21      VAL  64 127.019   1.681   5.121
  313   2HG2  VAL  14          HG22      VAL  64 128.499   1.233   5.970
  314   3HG2  VAL  14          HG23      VAL  64 128.288   0.790   4.295
  315    H    ARG  15           HN       ARG  65 127.177   0.994   2.860
  316    HA   ARG  15           HA       ARG  65 124.762   2.344   1.902
  317   1HB   ARG  15          HB2       ARG  65 126.227   0.153   0.990
  318   2HB   ARG  15          HB1       ARG  65 124.848  -0.557   1.722
  319   1HG   ARG  15          HG2       ARG  65 125.020   1.165  -0.661
  320   2HG   ARG  15          HG1       ARG  65 124.212  -0.372  -0.479
  321   1HD   ARG  15          HD2       ARG  65 123.160   1.864   1.111
  322   2HD   ARG  15          HD1       ARG  65 123.004   1.969  -0.642
  323    HE   ARG  15           HE       ARG  65 121.761  -0.084  -0.592
  324   1HH1  ARG  15          HH11      ARG  65 122.222   1.391   2.497
  325   2HH1  ARG  15          HH12      ARG  65 121.021   0.430   3.275
  326   1HH2  ARG  15          HH21      ARG  65 120.152  -1.326   0.413
  327   2HH2  ARG  15          HH22      ARG  65 119.828  -1.080   2.094
  328    H    LYS  16           HN       LYS  66 123.285   2.724   3.258
  329    HA   LYS  16           HA       LYS  66 122.372   0.764   5.201
  330   1HB   LYS  16          HB2       LYS  66 123.569   1.788   6.828
  331   2HB   LYS  16          HB1       LYS  66 123.792   3.235   5.876
  332   1HG   LYS  16          HG2       LYS  66 121.368   3.797   6.435
  333   2HG   LYS  16          HG1       LYS  66 121.472   2.501   7.627
  334   1HD   LYS  16          HD2       LYS  66 123.666   3.808   8.315
  335   2HD   LYS  16          HD1       LYS  66 122.793   5.161   7.584
  336   1HE   LYS  16          HE2       LYS  66 121.967   3.435   9.882
  337   2HE   LYS  16          HE1       LYS  66 122.223   5.150   9.894
  338   1HZ   LYS  16          HZ1       LYS  66 120.157   4.162   8.098
  339   2HZ   LYS  16          HZ2       LYS  66 120.217   5.589   8.996
  340   3HZ   LYS  16          HZ3       LYS  66 119.822   4.134   9.755
  341    H    ASP  17           HN       ASP  67 120.185   0.753   5.211
  342    HA   ASP  17           HA       ASP  67 118.026   1.370   4.803
  343   1HB   ASP  17          HB2       ASP  67 119.289   3.484   6.255
  344   2HB   ASP  17          HB1       ASP  67 118.101   4.149   5.157
  345    H    GLY  18           HN       GLY  68 119.424   1.128   2.461
  346   1HA   GLY  18          HA2       GLY  68 119.234   1.605   0.240
  347   2HA   GLY  18          HA1       GLY  68 117.786   2.492   0.661
  348    H    GLU  19           HN       GLU  69 120.650   3.737   2.227
  349    HA   GLU  19           HA       GLU  69 120.926   5.687   0.084
  350   1HB   GLU  19          HB2       GLU  69 121.266   6.809   2.748
  351   2HB   GLU  19          HB1       GLU  69 120.336   7.392   1.389
  352   1HG   GLU  19          HG2       GLU  69 118.656   5.541   2.064
  353   2HG   GLU  19          HG1       GLU  69 119.489   5.622   3.616
  354    H    TRP  20           HN       TRP  70 122.854   7.010   0.274
  355    HA   TRP  20           HA       TRP  70 125.085   5.388   1.183
  356   1HB   TRP  20          HB2       TRP  70 124.985   7.695  -0.776
  357   2HB   TRP  20          HB1       TRP  70 126.454   6.878  -0.266
  358    HD1  TRP  20           HD1      TRP  70 123.844   6.575  -2.879
  359    HE1  TRP  20           HE1      TRP  70 124.019   4.245  -4.016
  360    HE3  TRP  20           HE3      TRP  70 126.937   4.269   0.453
  361    HZ2  TRP  20           HZ2      TRP  70 125.312   1.820  -3.539
  362    HZ3  TRP  20           HZ3      TRP  70 127.589   1.964   0.039
  363    HH2  TRP  20           HH2      TRP  70 126.744   0.747  -1.895
  364    H    VAL  21           HN       VAL  71 125.864   5.772   3.087
  365    HA   VAL  21           HA       VAL  71 125.835   8.533   4.125
  366    HB   VAL  21           HB       VAL  71 126.372   6.117   5.820
  367   1HG1  VAL  21          HG11      VAL  71 125.219   8.776   6.598
  368   2HG1  VAL  21          HG12      VAL  71 126.953   8.464   6.532
  369   3HG1  VAL  21          HG13      VAL  71 125.934   7.546   7.640
  370   1HG2  VAL  21          HG21      VAL  71 124.235   5.485   5.315
  371   2HG2  VAL  21          HG22      VAL  71 123.720   7.129   4.938
  372   3HG2  VAL  21          HG23      VAL  71 123.908   6.627   6.618
  373    H    LEU  22           HN       LEU  72 127.575   9.465   4.776
  374    HA   LEU  22           HA       LEU  72 130.020   8.826   3.672
  375   1HB   LEU  22          HB2       LEU  72 128.899  10.782   5.432
  376   2HB   LEU  22          HB1       LEU  72 130.567  10.409   5.855
  377    HG   LEU  22           HG       LEU  72 129.503  11.479   3.253
  378   1HD1  LEU  22          HD11      LEU  72 131.201  13.183   3.641
  379   2HD1  LEU  22          HD12      LEU  72 131.606  12.403   5.170
  380   3HD1  LEU  22          HD13      LEU  72 130.008  13.111   4.939
  381   1HD2  LEU  22          HD21      LEU  72 131.837   9.785   3.719
  382   2HD2  LEU  22          HD22      LEU  72 132.203  11.314   2.909
  383   3HD2  LEU  22          HD23      LEU  72 131.007  10.196   2.215
  384    H    LEU  23           HN       LEU  73 131.521   7.478   4.116
  385    HA   LEU  23           HA       LEU  73 131.423   5.531   6.118
  386   1HB   LEU  23          HB2       LEU  73 132.703   5.204   4.146
  387   2HB   LEU  23          HB1       LEU  73 133.628   6.652   4.400
  388    HG   LEU  23           HG       LEU  73 134.983   5.683   6.052
  389   1HD1  LEU  23          HD11      LEU  73 133.132   3.316   6.155
  390   2HD1  LEU  23          HD12      LEU  73 133.248   4.582   7.375
  391   3HD1  LEU  23          HD13      LEU  73 134.632   3.531   7.061
  392   1HD2  LEU  23          HD21      LEU  73 135.922   3.743   5.022
  393   2HD2  LEU  23          HD22      LEU  73 135.447   4.883   3.770
  394   3HD2  LEU  23          HD23      LEU  73 134.459   3.463   4.111
  395    H    SER  24           HN       SER  74 133.086   8.614   5.937
  396    HA   SER  24           HA       SER  74 134.635   8.355   8.274
  397   1HB   SER  24          HB2       SER  74 135.007  10.093   6.537
  398   2HB   SER  24          HB1       SER  74 133.533  10.902   7.068
  399    HG   SER  24           HG       SER  74 135.630  10.324   8.869
  400    H    THR  25           HN       THR  75 131.243   8.806   7.887
  401    HA   THR  25           HA       THR  75 130.796  10.137  10.370
  402    HB   THR  25           HB       THR  75 128.992   8.522   8.578
  403    HG1  THR  25           HG1      THR  75 129.660  10.689   8.000
  404   1HG2  THR  25          HG21      THR  75 127.714   8.170  10.393
  405   2HG2  THR  25          HG22      THR  75 127.230   9.838  10.090
  406   3HG2  THR  25          HG23      THR  75 128.454   9.483  11.309
  407    H    PHE  26           HN       PHE  76 131.581   6.976   9.363
  408    HA   PHE  26           HA       PHE  76 130.751   5.682  11.837
  409   1HB   PHE  26          HB2       PHE  76 131.776   4.630   9.214
  410   2HB   PHE  26          HB1       PHE  76 131.516   3.603  10.612
  411    HD1  PHE  26           HD1      PHE  76 129.933   5.623   8.024
  412    HD2  PHE  26           HD2      PHE  76 129.242   3.147  11.412
  413    HE1  PHE  26           HE1      PHE  76 127.561   5.496   7.428
  414    HE2  PHE  26           HE2      PHE  76 126.854   3.008  10.833
  415    HZ   PHE  26           HZ       PHE  76 125.985   4.183   8.847
  416    H    LEU  27           HN       LEU  77 133.545   7.120  10.505
  417    HA   LEU  27           HA       LEU  77 135.281   5.491  12.195
  418   1HB   LEU  27          HB2       LEU  77 135.710   7.461   9.986
  419   2HB   LEU  27          HB1       LEU  77 137.020   7.045  11.068
  420    HG   LEU  27           HG       LEU  77 137.346   5.026  10.145
  421   1HD1  LEU  27          HD11      LEU  77 135.475   3.798   8.857
  422   2HD1  LEU  27          HD12      LEU  77 134.408   4.834   9.814
  423   3HD1  LEU  27          HD13      LEU  77 135.539   3.749  10.624
  424   1HD2  LEU  27          HD21      LEU  77 137.855   6.010   8.251
  425   2HD2  LEU  27          HD22      LEU  77 136.359   6.934   8.201
  426   3HD2  LEU  27          HD23      LEU  77 136.381   5.258   7.649
  427   1H    GLY   1           HT1      GLY 101 120.082   4.857 -13.256
  428   2H    GLY   1           HT2      GLY 101 119.967   3.685 -12.043
  429   3H    GLY   1           HT3      GLY 101 121.195   3.584 -13.200
  430   1HA   GLY   1          HA1       GLY 101 122.319   5.459 -12.348
  431   2HA   GLY   1          HA2       GLY 101 120.945   5.868 -11.333
  432    H    TYR   2           HN       TYR 102 122.134   2.609 -11.758
  433    HA   TYR   2           HA       TYR 102 122.740   2.536  -8.907
  434   1HB   TYR   2          HB2       TYR 102 122.306   0.318 -10.861
  435   2HB   TYR   2          HB1       TYR 102 122.773   0.058  -9.198
  436    HD1  TYR   2           HD1      TYR 102 120.698  -1.426  -9.360
  437    HD2  TYR   2           HD2      TYR 102 120.512   2.816  -9.497
  438    HE1  TYR   2           HE1      TYR 102 118.325  -1.519  -8.731
  439    HE2  TYR   2           HE2      TYR 102 118.139   2.740  -8.867
  440    HH   TYR   2           HH       TYR 102 116.341  -0.198  -8.829
  441    H    ILE   3           HN       ILE 103 124.613   1.273  -8.163
  442    HA   ILE   3           HA       ILE 103 126.990   1.955  -9.717
  443    HB   ILE   3           HB       ILE 103 128.163   0.852  -7.696
  444   1HG1  ILE   3          HG12      ILE 103 125.423   1.389  -6.562
  445   2HG1  ILE   3          HG11      ILE 103 126.291  -0.131  -6.630
  446   1HG2  ILE   3          HG21      ILE 103 127.305   3.477  -8.245
  447   2HG2  ILE   3          HG22      ILE 103 128.720   2.952  -7.343
  448   3HG2  ILE   3          HG23      ILE 103 127.193   3.227  -6.511
  449   1HD1  ILE   3          HD11      ILE 103 128.045   1.067  -5.187
  450   2HD1  ILE   3          HD12      ILE 103 126.557   0.497  -4.437
  451   3HD1  ILE   3          HD13      ILE 103 126.744   2.202  -4.852
  452    HA   PRO   4           HA       PRO 104 127.775  -2.254 -10.702
  453   1HB   PRO   4          HB2       PRO 104 130.385  -2.032 -11.472
  454   2HB   PRO   4          HB1       PRO 104 129.048  -1.411 -12.444
  455   1HG   PRO   4          HG2       PRO 104 131.062   0.063 -10.935
  456   2HG   PRO   4          HG1       PRO 104 129.914   0.661 -12.140
  457   1HD   PRO   4          HD2       PRO 104 129.748   0.778  -9.229
  458   2HD   PRO   4          HD1       PRO 104 128.745   1.597 -10.441
  459    H    GLU   5           HN       GLU 105 128.783  -4.132 -10.117
  460    HA   GLU   5           HA       GLU 105 129.251  -4.514  -7.408
  461   1HB   GLU   5          HB2       GLU 105 128.487  -6.287  -8.805
  462   2HB   GLU   5          HB1       GLU 105 129.913  -6.192  -9.823
  463   1HG   GLU   5          HG2       GLU 105 130.639  -7.895  -8.621
  464   2HG   GLU   5          HG1       GLU 105 131.016  -6.698  -7.392
  465    H    ALA   6           HN       ALA 106 130.942  -4.821  -6.195
  466    HA   ALA   6           HA       ALA 106 133.503  -3.691  -6.932
  467   1HB   ALA   6          HB1       ALA 106 133.795  -3.241  -4.712
  468   2HB   ALA   6          HB2       ALA 106 133.034  -4.741  -4.196
  469   3HB   ALA   6          HB3       ALA 106 132.034  -3.378  -4.692
  470    HA   PRO   7           HA       PRO 107 135.913  -7.387  -7.327
  471   1HB   PRO   7          HB2       PRO 107 137.631  -6.524  -5.071
  472   2HB   PRO   7          HB1       PRO 107 138.068  -6.897  -6.739
  473   1HG   PRO   7          HG2       PRO 107 138.006  -4.375  -5.838
  474   2HG   PRO   7          HG1       PRO 107 137.524  -4.787  -7.496
  475   1HD   PRO   7          HD2       PRO 107 135.829  -4.103  -5.141
  476   2HD   PRO   7          HD1       PRO 107 135.583  -3.730  -6.857
  477    H    ARG   8           HN       ARG 108 136.276  -9.435  -6.449
  478    HA   ARG   8           HA       ARG 108 135.098  -9.921  -3.799
  479   1HB   ARG   8          HB2       ARG 108 135.132 -11.512  -6.292
  480   2HB   ARG   8          HB1       ARG 108 134.930 -12.325  -4.759
  481   1HG   ARG   8          HG2       ARG 108 132.749 -11.993  -5.138
  482   2HG   ARG   8          HG1       ARG 108 133.080 -10.364  -4.552
  483   1HD   ARG   8          HD2       ARG 108 132.015  -9.888  -6.501
  484   2HD   ARG   8          HD1       ARG 108 133.687  -9.921  -7.054
  485    HE   ARG   8           HE       ARG 108 131.625 -11.923  -7.589
  486   1HH1  ARG   8          HH11      ARG 108 134.936 -10.867  -8.010
  487   2HH1  ARG   8          HH12      ARG 108 135.254 -11.987  -9.288
  488   1HH2  ARG   8          HH21      ARG 108 132.055 -13.384  -9.275
  489   2HH2  ARG   8          HH22      ARG 108 133.623 -13.409 -10.009
  490    H    ASP   9           HN       ASP 109 137.342  -9.254  -3.155
  491    HA   ASP   9           HA       ASP 109 139.138 -11.604  -3.147
  492   1HB   ASP   9          HB2       ASP 109 140.957  -9.931  -2.630
  493   2HB   ASP   9          HB1       ASP 109 140.280  -9.830  -4.252
  494    H    GLY  10           HN       GLY 110 136.881 -10.454  -1.300
  495   1HA   GLY  10          HA2       GLY 110 136.501 -10.910   0.951
  496   2HA   GLY  10          HA1       GLY 110 138.202 -11.284   1.141
  497    H    GLN  11           HN       GLN 111 137.584  -8.272  -0.376
  498    HA   GLN  11           HA       GLN 111 138.141  -6.954   2.184
  499   1HB   GLN  11          HB2       GLN 111 139.061  -6.411  -0.536
  500   2HB   GLN  11          HB1       GLN 111 138.741  -5.028   0.444
  501   1HG   GLN  11          HG2       GLN 111 140.458  -5.526   1.918
  502   2HG   GLN  11          HG1       GLN 111 140.459  -7.234   1.465
  503   1HE2  GLN  11          HE21      GLN 111 142.788  -7.179   1.011
  504   2HE2  GLN  11          HE22      GLN 111 143.378  -6.383  -0.397
  505    H    ALA  12           HN       ALA 112 137.160  -5.038   2.663
  506    HA   ALA  12           HA       ALA 112 134.494  -4.759   1.536
  507   1HB   ALA  12          HB1       ALA 112 134.752  -2.947   3.632
  508   2HB   ALA  12          HB2       ALA 112 135.671  -4.360   4.149
  509   3HB   ALA  12          HB3       ALA 112 133.975  -4.529   3.693
  510    H    TYR  13           HN       TYR 113 133.796  -3.086   0.493
  511    HA   TYR  13           HA       TYR 113 135.720  -0.915  -0.073
  512   1HB   TYR  13          HB2       TYR 113 133.706  -2.274  -1.830
  513   2HB   TYR  13          HB1       TYR 113 134.402  -0.758  -2.220
  514    HD1  TYR  13           HD1      TYR 113 134.916  -4.243  -2.288
  515    HD2  TYR  13           HD2      TYR 113 136.854  -0.517  -2.335
  516    HE1  TYR  13           HE1      TYR 113 136.950  -5.329  -3.159
  517    HE2  TYR  13           HE2      TYR 113 138.886  -1.547  -3.171
  518    HH   TYR  13           HH       TYR 113 139.963  -3.567  -3.481
  519    H    VAL  14           HN       VAL 114 134.855   1.048  -0.517
  520    HA   VAL  14           HA       VAL 114 132.256   1.699   0.704
  521    HB   VAL  14           HB       VAL 114 134.388   3.714   0.379
  522   1HG1  VAL  14          HG11      VAL 114 132.904   3.018   2.899
  523   2HG1  VAL  14          HG12      VAL 114 132.232   4.074   1.661
  524   3HG1  VAL  14          HG13      VAL 114 133.705   4.537   2.497
  525   1HG2  VAL  14          HG21      VAL 114 135.813   2.914   2.121
  526   2HG2  VAL  14          HG22      VAL 114 135.629   1.653   0.920
  527   3HG2  VAL  14          HG23      VAL 114 134.736   1.555   2.427
  528    H    ARG  15           HN       ARG 115 131.140   3.461  -0.430
  529    HA   ARG  15           HA       ARG 115 131.865   3.341  -3.266
  530   1HB   ARG  15          HB2       ARG 115 129.533   2.746  -1.937
  531   2HB   ARG  15          HB1       ARG 115 129.187   4.302  -2.564
  532   1HG   ARG  15          HG2       ARG 115 129.304   1.764  -3.873
  533   2HG   ARG  15          HG1       ARG 115 128.514   3.232  -4.381
  534   1HD   ARG  15          HD2       ARG 115 131.403   2.504  -4.780
  535   2HD   ARG  15          HD1       ARG 115 130.139   2.463  -5.983
  536    HE   ARG  15           HE       ARG 115 131.711   4.636  -5.495
  537   1HH1  ARG  15          HH11      ARG 115 128.281   4.106  -5.594
  538   2HH1  ARG  15          HH12      ARG 115 127.943   5.770  -5.868
  539   1HH2  ARG  15          HH21      ARG 115 131.211   6.805  -5.791
  540   2HH2  ARG  15          HH22      ARG 115 129.563   7.283  -5.978
  541    H    LYS  16           HN       LYS 116 132.825   4.914  -4.097
  542    HA   LYS  16           HA       LYS 116 132.093   7.685  -3.622
  543   1HB   LYS  16          HB2       LYS 116 133.986   8.381  -2.579
  544   2HB   LYS  16          HB1       LYS 116 134.079   6.711  -2.042
  545   1HG   LYS  16          HG2       LYS 116 135.619   6.201  -3.842
  546   2HG   LYS  16          HG1       LYS 116 135.461   7.835  -4.486
  547   1HD   LYS  16          HD2       LYS 116 136.285   7.568  -1.644
  548   2HD   LYS  16          HD1       LYS 116 137.470   7.124  -2.875
  549   1HE   LYS  16          HE2       LYS 116 136.094   9.721  -2.463
  550   2HE   LYS  16          HE1       LYS 116 137.811   9.416  -2.392
  551   1HZ   LYS  16          HZ1       LYS 116 137.362   8.651  -4.864
  552   2HZ   LYS  16          HZ2       LYS 116 137.695  10.253  -4.480
  553   3HZ   LYS  16          HZ3       LYS 116 136.111   9.765  -4.732
  554    H    ASP  17           HN       ASP 117 132.328   8.855  -5.458
  555    HA   ASP  17           HA       ASP 117 132.815   9.354  -7.630
  556   1HB   ASP  17          HB2       ASP 117 135.260   8.671  -6.283
  557   2HB   ASP  17          HB1       ASP 117 135.357   8.283  -7.985
  558    H    GLY  18           HN       GLY 118 131.291   7.053  -7.517
  559   1HA   GLY  18          HA2       GLY 118 130.618   5.316  -8.833
  560   2HA   GLY  18          HA1       GLY 118 131.681   5.975 -10.053
  561    H    GLU  19           HN       GLU 119 133.283   4.996  -7.075
  562    HA   GLU  19           HA       GLU 119 133.915   2.445  -8.334
  563   1HB   GLU  19          HB2       GLU 119 135.805   4.580  -7.387
  564   2HB   GLU  19          HB1       GLU 119 136.308   2.930  -7.647
  565   1HG   GLU  19          HG2       GLU 119 135.685   3.080  -9.991
  566   2HG   GLU  19          HG1       GLU 119 135.117   4.728  -9.737
  567    H    TRP  20           HN       TRP 120 135.100   0.989  -6.885
  568    HA   TRP  20           HA       TRP 120 134.043   1.216  -4.188
  569   1HB   TRP  20          HB2       TRP 120 135.140  -1.183  -5.690
  570   2HB   TRP  20          HB1       TRP 120 134.672  -1.206  -4.002
  571    HD1  TRP  20           HD1      TRP 120 133.147  -1.770  -7.313
  572    HE1  TRP  20           HE1      TRP 120 130.561  -1.692  -7.117
  573    HE3  TRP  20           HE3      TRP 120 132.728   0.217  -2.633
  574    HZ2  TRP  20           HZ2      TRP 120 128.659  -0.912  -5.239
  575    HZ3  TRP  20           HZ3      TRP 120 130.504   0.580  -1.713
  576    HH2  TRP  20           HH2      TRP 120 128.504   0.063  -3.010
  577    H    VAL  21           HN       VAL 121 135.289   2.032  -2.710
  578    HA   VAL  21           HA       VAL 121 138.211   1.850  -2.980
  579    HB   VAL  21           HB       VAL 121 138.381   3.840  -1.722
  580   1HG1  VAL  21          HG11      VAL 121 137.014   5.381  -2.879
  581   2HG1  VAL  21          HG12      VAL 121 135.845   4.132  -3.296
  582   3HG1  VAL  21          HG13      VAL 121 137.466   4.099  -3.997
  583   1HG2  VAL  21          HG21      VAL 121 135.471   3.539  -0.998
  584   2HG2  VAL  21          HG22      VAL 121 136.532   4.847  -0.488
  585   3HG2  VAL  21          HG23      VAL 121 136.818   3.198   0.083
  586    H    LEU  22           HN       LEU 122 139.413   0.923  -1.573
  587    HA   LEU  22           HA       LEU 122 138.412  -0.969   0.150
  588   1HB   LEU  22          HB2       LEU 122 140.940   0.204  -0.516
  589   2HB   LEU  22          HB1       LEU 122 140.868  -0.301   1.167
  590    HG   LEU  22           HG       LEU 122 140.613  -1.978  -1.306
  591   1HD1  LEU  22          HD11      LEU 122 142.809  -1.850  -0.549
  592   2HD1  LEU  22          HD12      LEU 122 142.192  -3.374   0.091
  593   3HD1  LEU  22          HD13      LEU 122 142.316  -1.962   1.138
  594   1HD2  LEU  22          HD21      LEU 122 139.418  -2.446   1.371
  595   2HD2  LEU  22          HD22      LEU 122 140.176  -3.806   0.542
  596   3HD2  LEU  22          HD23      LEU 122 138.844  -2.931  -0.228
  597    H    LEU  23           HN       LEU 123 137.444  -0.837   1.994
  598    HA   LEU  23           HA       LEU 123 136.873   1.531   3.354
  599   1HB   LEU  23          HB2       LEU 123 135.531  -0.424   3.606
  600   2HB   LEU  23          HB1       LEU 123 136.873  -1.363   4.166
  601    HG   LEU  23           HG       LEU 123 136.890   0.412   6.115
  602   1HD1  LEU  23          HD11      LEU 123 134.147   0.583   4.992
  603   2HD1  LEU  23          HD12      LEU 123 135.141   1.832   5.745
  604   3HD1  LEU  23          HD13      LEU 123 134.371   0.593   6.744
  605   1HD2  LEU  23          HD21      LEU 123 135.765  -2.201   5.708
  606   2HD2  LEU  23          HD22      LEU 123 134.923  -1.307   6.972
  607   3HD2  LEU  23          HD23      LEU 123 136.666  -1.552   7.076
  608    H    SER  24           HN       SER 124 139.374  -0.898   3.858
  609    HA   SER  24           HA       SER 124 140.273  -0.027   6.359
  610   1HB   SER  24          HB2       SER 124 140.962  -2.175   5.529
  611   2HB   SER  24          HB1       SER 124 141.729  -1.443   4.120
  612    HG   SER  24           HG       SER 124 143.452  -1.374   5.304
  613    H    THR  25           HN       THR 125 140.644   1.421   3.255
  614    HA   THR  25           HA       THR 125 143.036   2.855   3.848
  615    HB   THR  25           HB       THR 125 140.816   3.362   1.864
  616    HG1  THR  25           HG1      THR 125 143.503   2.586   1.438
  617   1HG2  THR  25          HG21      THR 125 143.163   4.695   1.057
  618   2HG2  THR  25          HG22      THR 125 142.782   5.240   2.689
  619   3HG2  THR  25          HG23      THR 125 141.578   5.381   1.410
  620    H    PHE  26           HN       PHE 126 139.777   3.004   4.820
  621    HA   PHE  26           HA       PHE 126 139.940   5.769   5.731
  622   1HB   PHE  26          HB2       PHE 126 137.617   3.837   5.521
  623   2HB   PHE  26          HB1       PHE 126 137.491   5.447   6.170
  624    HD1  PHE  26           HD1      PHE 126 138.330   3.603   3.052
  625    HD2  PHE  26           HD2      PHE 126 137.271   7.344   4.793
  626    HE1  PHE  26           HE1      PHE 126 138.018   4.561   0.792
  627    HE2  PHE  26           HE2      PHE 126 136.952   8.304   2.550
  628    HZ   PHE  26           HZ       PHE 126 137.319   6.931   0.530
  629    H    LEU  27           HN       LEU 127 140.454   2.645   7.012
  630    HA   LEU  27           HA       LEU 127 139.704   3.573   9.699
  631   1HB   LEU  27          HB2       LEU 127 140.528   0.777   8.941
  632   2HB   LEU  27          HB1       LEU 127 139.751   1.301  10.422
  633    HG   LEU  27           HG       LEU 127 138.446   1.342   7.697
  634   1HD1  LEU  27          HD11      LEU 127 137.096  -0.427   9.306
  635   2HD1  LEU  27          HD12      LEU 127 138.789  -0.772   9.656
  636   3HD1  LEU  27          HD13      LEU 127 138.198  -0.850   7.996
  637   1HD2  LEU  27          HD21      LEU 127 137.731   2.471  10.266
  638   2HD2  LEU  27          HD22      LEU 127 136.518   1.323   9.683
  639   3HD2  LEU  27          HD23      LEU 127 136.990   2.702   8.682
  Start of MODEL    8
    1   1H    GLY   1           HT1      GLY   1 126.520  -3.426 -14.329
    2   2H    GLY   1           HT2      GLY   1 126.109  -4.847 -15.149
    3   3H    GLY   1           HT3      GLY   1 127.568  -4.064 -15.495
    4   1HA   GLY   1          HA1       GLY   1 127.104  -6.076 -13.618
    5   2HA   GLY   1          HA2       GLY   1 128.612  -5.248 -13.968
    6    H    TYR   2           HN       TYR   2 125.547  -4.666 -12.245
    7    HA   TYR   2           HA       TYR   2 126.997  -3.087 -10.270
    8   1HB   TYR   2          HB2       TYR   2 124.070  -3.461 -10.305
    9   2HB   TYR   2          HB1       TYR   2 124.965  -2.127  -9.650
   10    HD1  TYR   2           HD1      TYR   2 122.693  -2.860 -12.020
   11    HD2  TYR   2           HD2      TYR   2 126.522  -1.050 -11.744
   12    HE1  TYR   2           HE1      TYR   2 122.237  -1.591 -14.071
   13    HE2  TYR   2           HE2      TYR   2 126.090   0.214 -13.802
   14    HH   TYR   2           HH       TYR   2 123.109   0.647 -15.091
   15    H    ILE   3           HN       ILE   3 126.256  -3.287  -7.988
   16    HA   ILE   3           HA       ILE   3 126.267  -6.099  -7.138
   17    HB   ILE   3           HB       ILE   3 126.227  -5.055  -4.812
   18   1HG1  ILE   3          HG12      ILE   3 127.021  -2.629  -6.399
   19   2HG1  ILE   3          HG11      ILE   3 125.606  -2.847  -5.381
   20   1HG2  ILE   3          HG21      ILE   3 128.366  -5.708  -6.456
   21   2HG2  ILE   3          HG22      ILE   3 128.346  -5.572  -4.710
   22   3HG2  ILE   3          HG23      ILE   3 128.814  -4.194  -5.676
   23   1HD1  ILE   3          HD11      ILE   3 127.104  -1.568  -4.113
   24   2HD1  ILE   3          HD12      ILE   3 128.459  -2.612  -4.542
   25   3HD1  ILE   3          HD13      ILE   3 127.202  -3.204  -3.468
   26    HA   PRO   4           HA       PRO   4 122.060  -5.639  -5.923
   27   1HB   PRO   4          HB2       PRO   4 121.802  -7.668  -4.114
   28   2HB   PRO   4          HB1       PRO   4 121.962  -7.965  -5.848
   29   1HG   PRO   4          HG2       PRO   4 123.915  -8.394  -3.695
   30   2HG   PRO   4          HG1       PRO   4 123.863  -9.095  -5.318
   31   1HD   PRO   4          HD2       PRO   4 125.475  -6.904  -4.370
   32   2HD   PRO   4          HD1       PRO   4 125.452  -7.628  -5.990
   33    H    GLU   5           HN       GLU   5 120.851  -4.557  -4.585
   34    HA   GLU   5           HA       GLU   5 121.828  -2.738  -2.835
   35   1HB   GLU   5          HB2       GLU   5 119.695  -2.378  -3.720
   36   2HB   GLU   5          HB1       GLU   5 119.098  -3.933  -3.170
   37   1HG   GLU   5          HG2       GLU   5 118.185  -2.883  -1.473
   38   2HG   GLU   5          HG1       GLU   5 119.790  -2.596  -0.839
   39    H    ALA   6           HN       ALA   6 122.033  -2.433  -0.692
   40    HA   ALA   6           HA       ALA   6 122.391  -4.783   0.969
   41   1HB   ALA   6          HB1       ALA   6 122.752  -2.040   2.067
   42   2HB   ALA   6          HB2       ALA   6 123.868  -2.577   0.814
   43   3HB   ALA   6          HB3       ALA   6 123.735  -3.486   2.322
   44    HA   PRO   7           HA       PRO   7 118.813  -4.463   3.518
   45   1HB   PRO   7          HB2       PRO   7 120.212  -4.219   6.027
   46   2HB   PRO   7          HB1       PRO   7 119.417  -5.626   5.340
   47   1HG   PRO   7          HG2       PRO   7 122.122  -5.416   5.664
   48   2HG   PRO   7          HG1       PRO   7 121.352  -6.418   4.420
   49   1HD   PRO   7          HD2       PRO   7 122.591  -3.715   4.171
   50   2HD   PRO   7          HD1       PRO   7 122.653  -5.089   3.054
   51    H    ARG   8           HN       ARG   8 117.427  -3.206   4.742
   52    HA   ARG   8           HA       ARG   8 118.203  -0.385   5.156
   53   1HB   ARG   8          HB2       ARG   8 115.755  -1.769   4.325
   54   2HB   ARG   8          HB1       ARG   8 115.494  -0.478   5.466
   55   1HG   ARG   8          HG2       ARG   8 115.265   0.667   3.522
   56   2HG   ARG   8          HG1       ARG   8 116.980   0.894   3.811
   57   1HD   ARG   8          HD2       ARG   8 117.498  -0.114   1.905
   58   2HD   ARG   8          HD1       ARG   8 116.530  -1.523   2.329
   59    HE   ARG   8           HE       ARG   8 115.125  -0.804   0.695
   60   1HH1  ARG   8          HH11      ARG   8 116.406   2.048   2.277
   61   2HH1  ARG   8          HH12      ARG   8 115.421   3.137   1.365
   62   1HH2  ARG   8          HH21      ARG   8 113.854   0.648  -0.509
   63   2HH2  ARG   8          HH22      ARG   8 113.984   2.350  -0.213
   64    H    ASP   9           HN       ASP   9 119.241  -1.002   7.097
   65    HA   ASP   9           HA       ASP   9 117.363  -1.463   9.311
   66   1HB   ASP   9          HB2       ASP   9 119.679  -2.287  10.399
   67   2HB   ASP   9          HB1       ASP   9 118.588  -3.359   9.526
   68    H    GLY  10           HN       GLY  10 119.195   0.852   7.957
   69   1HA   GLY  10          HA2       GLY  10 119.822   2.924   8.841
   70   2HA   GLY  10          HA1       GLY  10 119.391   2.324  10.439
   71    H    GLN  11           HN       GLN  11 121.292  -0.005   9.106
   72    HA   GLN  11           HA       GLN  11 123.673   1.032  10.464
   73   1HB   GLN  11          HB2       GLN  11 122.473  -1.532  10.320
   74   2HB   GLN  11          HB1       GLN  11 124.086  -1.642   9.692
   75   1HG   GLN  11          HG2       GLN  11 125.043  -1.110  11.704
   76   2HG   GLN  11          HG1       GLN  11 123.614  -0.248  12.271
   77   1HE2  GLN  11          HE21      GLN  11 122.706  -1.222  13.896
   78   2HE2  GLN  11          HE22      GLN  11 122.561  -2.922  14.144
   79    H    ALA  12           HN       ALA  12 125.665   0.826   9.488
   80    HA   ALA  12           HA       ALA  12 125.559   1.160   6.607
   81   1HB   ALA  12          HB1       ALA  12 127.112   2.706   6.953
   82   2HB   ALA  12          HB2       ALA  12 128.190   1.516   7.680
   83   3HB   ALA  12          HB3       ALA  12 127.020   2.375   8.680
   84    H    TYR  13           HN       TYR  13 126.483  -0.069   5.168
   85    HA   TYR  13           HA       TYR  13 127.766  -2.521   6.136
   86   1HB   TYR  13          HB2       TYR  13 125.851  -2.077   3.896
   87   2HB   TYR  13          HB1       TYR  13 126.850  -3.456   3.914
   88    HD1  TYR  13           HD1      TYR  13 123.832  -2.149   5.056
   89    HD2  TYR  13           HD2      TYR  13 126.915  -4.797   6.099
   90    HE1  TYR  13           HE1      TYR  13 122.352  -3.207   6.712
   91    HE2  TYR  13           HE2      TYR  13 125.509  -5.818   7.843
   92    HH   TYR  13           HH       TYR  13 123.023  -4.630   9.125
   93    H    VAL  14           HN       VAL  14 129.287  -3.479   4.813
   94    HA   VAL  14           HA       VAL  14 130.904  -1.640   3.177
   95    HB   VAL  14           HB       VAL  14 132.753  -2.644   4.112
   96   1HG1  VAL  14          HG11      VAL  14 132.423  -2.881   6.322
   97   2HG1  VAL  14          HG12      VAL  14 131.283  -4.205   6.111
   98   3HG1  VAL  14          HG13      VAL  14 130.736  -2.535   5.969
   99   1HG2  VAL  14          HG21      VAL  14 132.802  -5.156   4.545
  100   2HG2  VAL  14          HG22      VAL  14 132.587  -4.673   2.860
  101   3HG2  VAL  14          HG23      VAL  14 131.204  -5.220   3.806
  102    H    ARG  15           HN       ARG  15 131.587  -2.467   1.060
  103    HA   ARG  15           HA       ARG  15 129.896  -4.720   0.266
  104   1HB   ARG  15          HB2       ARG  15 130.025  -2.272  -0.915
  105   2HB   ARG  15          HB1       ARG  15 131.225  -3.084  -1.831
  106   1HG   ARG  15          HG2       ARG  15 128.337  -3.349  -1.851
  107   2HG   ARG  15          HG1       ARG  15 129.486  -3.563  -3.154
  108   1HD   ARG  15          HD2       ARG  15 129.301  -5.624  -1.020
  109   2HD   ARG  15          HD1       ARG  15 128.043  -5.501  -2.220
  110    HE   ARG  15           HE       ARG  15 130.866  -5.819  -2.976
  111   1HH1  ARG  15          HH11      ARG  15 127.531  -6.845  -3.196
  112   2HH1  ARG  15          HH12      ARG  15 127.844  -8.005  -4.439
  113   1HH2  ARG  15          HH21      ARG  15 131.287  -7.352  -4.578
  114   2HH2  ARG  15          HH22      ARG  15 129.991  -8.305  -5.219
  115    H    LYS  16           HN       LYS  16 130.904  -6.400   0.696
  116    HA   LYS  16           HA       LYS  16 133.594  -6.843  -0.385
  117   1HB   LYS  16          HB2       LYS  16 134.391  -6.722   1.701
  118   2HB   LYS  16          HB1       LYS  16 132.788  -6.716   2.397
  119   1HG   LYS  16          HG2       LYS  16 132.801  -8.979   2.760
  120   2HG   LYS  16          HG1       LYS  16 133.949  -9.302   1.455
  121   1HD   LYS  16          HD2       LYS  16 135.753  -8.383   2.737
  122   2HD   LYS  16          HD1       LYS  16 134.648  -7.813   3.983
  123   1HE   LYS  16          HE2       LYS  16 134.734 -10.720   3.335
  124   2HE   LYS  16          HE1       LYS  16 136.024 -10.009   4.304
  125   1HZ   LYS  16          HZ1       LYS  16 133.151 -10.220   4.936
  126   2HZ   LYS  16          HZ2       LYS  16 134.117  -9.057   5.693
  127   3HZ   LYS  16          HZ3       LYS  16 134.480 -10.699   5.867
  128    H    ASP  17           HN       ASP  17 133.747  -8.639  -1.529
  129    HA   ASP  17           HA       ASP  17 133.273 -10.685  -2.410
  130   1HB   ASP  17          HB2       ASP  17 133.445 -10.924   0.422
  131   2HB   ASP  17          HB1       ASP  17 132.251 -12.047  -0.178
  132    H    GLY  18           HN       GLY  18 131.114  -8.953  -2.875
  133   1HA   GLY  18          HA2       GLY  18 129.017  -9.230  -3.798
  134   2HA   GLY  18          HA1       GLY  18 129.114 -10.913  -3.387
  135    H    GLU  19           HN       GLU  19 129.554  -9.079  -0.511
  136    HA   GLU  19           HA       GLU  19 126.671  -9.113  -0.047
  137   1HB   GLU  19          HB2       GLU  19 127.749  -9.909   2.381
  138   2HB   GLU  19          HB1       GLU  19 126.908 -10.924   1.229
  139   1HG   GLU  19          HG2       GLU  19 128.807 -11.938   0.514
  140   2HG   GLU  19          HG1       GLU  19 129.808 -10.522   0.823
  141    H    TRP  20           HN       TRP  20 125.999  -7.974   1.875
  142    HA   TRP  20           HA       TRP  20 127.655  -5.612   2.275
  143   1HB   TRP  20          HB2       TRP  20 124.760  -6.100   3.056
  144   2HB   TRP  20          HB1       TRP  20 125.656  -4.623   3.313
  145    HD1  TRP  20           HD1      TRP  20 123.673  -6.278   0.589
  146    HE1  TRP  20           HE1      TRP  20 123.958  -4.890  -1.597
  147    HE3  TRP  20           HE3      TRP  20 127.486  -3.236   2.044
  148    HZ2  TRP  20           HZ2      TRP  20 125.572  -2.819  -2.506
  149    HZ3  TRP  20           HZ3      TRP  20 128.342  -1.590   0.474
  150    HH2  TRP  20           HH2      TRP  20 127.431  -1.424  -1.787
  151    H    VAL  21           HN       VAL  21 128.968  -5.633   3.912
  152    HA   VAL  21           HA       VAL  21 128.251  -7.274   6.249
  153    HB   VAL  21           HB       VAL  21 130.993  -6.183   5.683
  154   1HG1  VAL  21          HG11      VAL  21 130.128  -8.400   7.517
  155   2HG1  VAL  21          HG12      VAL  21 130.381  -6.729   8.019
  156   3HG1  VAL  21          HG13      VAL  21 131.731  -7.677   7.396
  157   1HG2  VAL  21          HG21      VAL  21 131.726  -8.280   4.850
  158   2HG2  VAL  21          HG22      VAL  21 130.274  -7.869   3.937
  159   3HG2  VAL  21          HG23      VAL  21 130.189  -9.048   5.246
  160    H    LEU  22           HN       LEU  22 128.097  -6.417   8.121
  161    HA   LEU  22           HA       LEU  22 127.438  -3.760   8.406
  162   1HB   LEU  22          HB2       LEU  22 127.288  -5.991   9.902
  163   2HB   LEU  22          HB1       LEU  22 128.556  -5.135  10.751
  164    HG   LEU  22           HG       LEU  22 126.254  -4.812  11.663
  165   1HD1  LEU  22          HD11      LEU  22 128.288  -3.092  11.640
  166   2HD1  LEU  22          HD12      LEU  22 126.737  -2.707  12.386
  167   3HD1  LEU  22          HD13      LEU  22 127.104  -2.122  10.763
  168   1HD2  LEU  22          HD21      LEU  22 124.932  -4.694   9.697
  169   2HD2  LEU  22          HD22      LEU  22 125.837  -3.295   9.117
  170   3HD2  LEU  22          HD23      LEU  22 124.824  -3.154  10.550
  171    H    LEU  23           HN       LEU  23 128.560  -2.005   8.430
  172    HA   LEU  23           HA       LEU  23 131.312  -1.825   8.080
  173   1HB   LEU  23          HB2       LEU  23 129.834  -0.049   7.499
  174   2HB   LEU  23          HB1       LEU  23 129.279   0.112   9.134
  175    HG   LEU  23           HG       LEU  23 131.814   0.630   9.607
  176   1HD1  LEU  23          HD11      LEU  23 132.958   0.660   7.663
  177   2HD1  LEU  23          HD12      LEU  23 132.351   2.318   7.653
  178   3HD1  LEU  23          HD13      LEU  23 131.535   1.070   6.703
  179   1HD2  LEU  23          HD21      LEU  23 129.523   2.293   8.864
  180   2HD2  LEU  23          HD22      LEU  23 131.098   3.082   8.904
  181   3HD2  LEU  23          HD23      LEU  23 130.484   2.258  10.343
  182    H    SER  24           HN       SER  24 129.355  -1.703  10.980
  183    HA   SER  24           HA       SER  24 131.276  -0.732  12.767
  184   1HB   SER  24          HB2       SER  24 129.038  -2.696  13.336
  185   2HB   SER  24          HB1       SER  24 129.838  -1.665  14.512
  186    HG   SER  24           HG       SER  24 128.195  -0.859  12.349
  187    H    THR  25           HN       THR  25 131.069  -3.772  11.175
  188    HA   THR  25           HA       THR  25 132.556  -5.261  13.109
  189    HB   THR  25           HB       THR  25 132.013  -5.699  10.175
  190    HG1  THR  25           HG1      THR  25 130.324  -5.970  11.791
  191   1HG2  THR  25          HG21      THR  25 133.536  -7.285  10.051
  192   2HG2  THR  25          HG22      THR  25 132.758  -8.124  11.393
  193   3HG2  THR  25          HG23      THR  25 134.047  -6.963  11.707
  194    H    PHE  26           HN       PHE  26 133.181  -2.870  10.767
  195    HA   PHE  26           HA       PHE  26 136.027  -3.435  10.545
  196   1HB   PHE  26          HB2       PHE  26 134.168  -1.626   9.029
  197   2HB   PHE  26          HB1       PHE  26 135.898  -1.616   8.782
  198    HD1  PHE  26           HD1      PHE  26 132.826  -3.546   8.383
  199    HD2  PHE  26           HD2      PHE  26 137.018  -3.457   7.676
  200    HE1  PHE  26           HE1      PHE  26 132.598  -5.448   6.860
  201    HE2  PHE  26           HE2      PHE  26 136.806  -5.370   6.144
  202    HZ   PHE  26           HZ       PHE  26 134.597  -6.385   5.729
  203    H    LEU  27           HN       LEU  27 134.006  -1.526  12.457
  204    HA   LEU  27           HA       LEU  27 136.152   0.436  12.899
  205   1HB   LEU  27          HB2       LEU  27 133.400   0.623  14.075
  206   2HB   LEU  27          HB1       LEU  27 134.566   1.906  13.803
  207    HG   LEU  27           HG       LEU  27 132.882   0.496  11.738
  208   1HD1  LEU  27          HD11      LEU  27 132.650   3.231  11.507
  209   2HD1  LEU  27          HD12      LEU  27 132.664   2.954  13.246
  210   3HD1  LEU  27          HD13      LEU  27 131.471   2.138  12.232
  211   1HD2  LEU  27          HD21      LEU  27 134.341   1.036  10.160
  212   2HD2  LEU  27          HD22      LEU  27 135.450   1.654  11.385
  213   3HD2  LEU  27          HD23      LEU  27 134.252   2.730  10.656
  214   1H    GLY   1           HT1      GLY  51 117.960  -7.969  -4.025
  215   2H    GLY   1           HT2      GLY  51 118.816  -8.219  -5.462
  216   3H    GLY   1           HT3      GLY  51 117.140  -8.448  -5.426
  217   1HA   GLY   1          HA1       GLY  51 117.046  -6.396  -6.270
  218   2HA   GLY   1          HA2       GLY  51 117.273  -5.927  -4.587
  219    H    TYR   2           HN       TYR  52 118.089  -4.132  -6.521
  220    HA   TYR   2           HA       TYR  52 121.007  -4.277  -6.279
  221   1HB   TYR   2          HB2       TYR  52 119.385  -4.065  -8.708
  222   2HB   TYR   2          HB1       TYR  52 120.755  -2.973  -8.630
  223    HD1  TYR   2           HD1      TYR  52 122.527  -3.728  -9.835
  224    HD2  TYR   2           HD2      TYR  52 120.175  -6.577  -7.739
  225    HE1  TYR   2           HE1      TYR  52 123.989  -5.524 -10.652
  226    HE2  TYR   2           HE2      TYR  52 121.642  -8.383  -8.530
  227    HH   TYR   2           HH       TYR  52 124.600  -7.720 -10.281
  228    H    ILE   3           HN       ILE  53 122.001  -2.356  -5.746
  229    HA   ILE   3           HA       ILE  53 120.246  -0.167  -4.979
  230    HB   ILE   3           HB       ILE  53 122.452   0.949  -4.288
  231   1HG1  ILE   3          HG12      ILE  53 123.324  -1.894  -4.689
  232   2HG1  ILE   3          HG11      ILE  53 124.066  -0.405  -5.237
  233   1HG2  ILE   3          HG21      ILE  53 120.870  -1.107  -2.950
  234   2HG2  ILE   3          HG22      ILE  53 121.233   0.543  -2.472
  235   3HG2  ILE   3          HG23      ILE  53 122.414  -0.738  -2.202
  236   1HD1  ILE   3          HD11      ILE  53 125.440  -1.161  -3.527
  237   2HD1  ILE   3          HD12      ILE  53 124.068  -1.579  -2.500
  238   3HD1  ILE   3          HD13      ILE  53 124.468   0.110  -2.792
  239    HA   PRO   4           HA       PRO  54 121.583   2.504  -8.205
  240   1HB   PRO   4          HB2       PRO  54 120.592   4.819  -7.287
  241   2HB   PRO   4          HB1       PRO  54 119.503   3.485  -7.691
  242   1HG   PRO   4          HG2       PRO  54 120.353   4.484  -5.028
  243   2HG   PRO   4          HG1       PRO  54 118.847   3.683  -5.501
  244   1HD   PRO   4          HD2       PRO  54 121.149   2.489  -4.260
  245   2HD   PRO   4          HD1       PRO  54 119.667   1.683  -4.827
  246    H    GLU   5           HN       GLU  55 123.017   4.171  -8.740
  247    HA   GLU   5           HA       GLU  55 125.428   4.131  -7.393
  248   1HB   GLU   5          HB2       GLU  55 125.450   4.640  -9.693
  249   2HB   GLU   5          HB1       GLU  55 124.321   5.969  -9.495
  250   1HG   GLU   5          HG2       GLU  55 126.038   7.341  -9.463
  251   2HG   GLU   5          HG1       GLU  55 126.538   6.646  -7.933
  252    H    ALA   6           HN       ALA  56 126.531   5.447  -6.084
  253    HA   ALA   6           HA       ALA  56 125.007   7.295  -4.422
  254   1HB   ALA   6          HB1       ALA  56 127.905   6.817  -3.976
  255   2HB   ALA   6          HB2       ALA  56 126.801   5.474  -3.693
  256   3HB   ALA   6          HB3       ALA  56 126.599   6.988  -2.811
  257    HA   PRO   7           HA       PRO  57 126.381  11.147  -6.094
  258   1HB   PRO   7          HB2       PRO  57 127.611  12.272  -3.841
  259   2HB   PRO   7          HB1       PRO  57 125.911  12.432  -4.288
  260   1HG   PRO   7          HG2       PRO  57 127.192  10.592  -2.331
  261   2HG   PRO   7          HG1       PRO  57 125.606  11.379  -2.264
  262   1HD   PRO   7          HD2       PRO  57 125.854   8.781  -2.854
  263   2HD   PRO   7          HD1       PRO  57 124.625   9.793  -3.641
  264    H    ARG   8           HN       ARG  58 128.236  12.166  -6.895
  265    HA   ARG   8           HA       ARG  58 130.736  10.707  -6.408
  266   1HB   ARG   8          HB2       ARG  58 129.633  11.953  -8.860
  267   2HB   ARG   8          HB1       ARG  58 131.326  11.520  -8.731
  268   1HG   ARG   8          HG2       ARG  58 130.463   9.194  -8.080
  269   2HG   ARG   8          HG1       ARG  58 128.923   9.737  -8.743
  270   1HD   ARG   8          HD2       ARG  58 131.343  10.160 -10.386
  271   2HD   ARG   8          HD1       ARG  58 130.767   8.503 -10.206
  272    HE   ARG   8           HE       ARG  58 128.520   9.715 -10.902
  273   1HH1  ARG   8          HH11      ARG  58 131.728  10.050 -12.245
  274   2HH1  ARG   8          HH12      ARG  58 131.154  10.448 -13.829
  275   1HH2  ARG   8          HH21      ARG  58 127.771  10.233 -12.983
  276   2HH2  ARG   8          HH22      ARG  58 128.910  10.551 -14.249
  277    H    ASP   9           HN       ASP  59 130.798  12.292  -4.597
  278    HA   ASP   9           HA       ASP  59 131.964  14.874  -5.433
  279   1HB   ASP   9          HB2       ASP  59 131.462  15.662  -3.174
  280   2HB   ASP   9          HB1       ASP  59 130.002  15.073  -3.961
  281    H    GLY  10           HN       GLY  60 133.134  12.013  -5.050
  282   1HA   GLY  10          HA2       GLY  60 135.245  11.267  -4.515
  283   2HA   GLY  10          HA1       GLY  60 135.655  12.913  -4.056
  284    H    GLN  11           HN       GLN  61 132.969  11.126  -2.680
  285    HA   GLN  11           HA       GLN  61 134.468  10.882  -0.171
  286   1HB   GLN  11          HB2       GLN  61 131.602  11.594  -0.533
  287   2HB   GLN  11          HB1       GLN  61 132.294  11.182   0.980
  288   1HG   GLN  11          HG2       GLN  61 133.614  13.350  -0.498
  289   2HG   GLN  11          HG1       GLN  61 131.999  13.678   0.135
  290   1HE2  GLN  11          HE21      GLN  61 133.325  15.300   1.395
  291   2HE2  GLN  11          HE22      GLN  61 133.993  14.775   2.894
  292    H    ALA  12           HN       ALA  62 134.000   9.060   1.121
  293    HA   ALA  12           HA       ALA  62 132.995   6.803  -0.403
  294   1HB   ALA  12          HB1       ALA  62 134.099   6.407   2.305
  295   2HB   ALA  12          HB2       ALA  62 135.204   6.993   1.062
  296   3HB   ALA  12          HB3       ALA  62 134.341   5.473   0.828
  297    H    TYR  13           HN       TYR  63 131.312   5.683   0.017
  298    HA   TYR  13           HA       TYR  63 129.619   6.429   2.323
  299   1HB   TYR  13          HB2       TYR  63 128.846   5.791  -0.500
  300   2HB   TYR  13          HB1       TYR  63 127.729   5.815   0.795
  301    HD1  TYR  13           HD1      TYR  63 129.603   7.768  -1.486
  302    HD2  TYR  13           HD2      TYR  63 127.328   7.945   2.041
  303    HE1  TYR  13           HE1      TYR  63 129.429  10.203  -1.740
  304    HE2  TYR  13           HE2      TYR  63 127.124  10.386   1.824
  305    HH   TYR  13           HH       TYR  63 128.825  12.240   0.429
  306    H    VAL  14           HN       VAL  64 128.351   5.049   3.124
  307    HA   VAL  14           HA       VAL  64 129.040   2.202   2.936
  308    HB   VAL  14           HB       VAL  64 127.427   2.947   5.148
  309   1HG1  VAL  14          HG11      VAL  64 129.769   2.448   6.362
  310   2HG1  VAL  14          HG12      VAL  64 130.090   1.746   4.776
  311   3HG1  VAL  14          HG13      VAL  64 128.725   1.173   5.733
  312   1HG2  VAL  14          HG21      VAL  64 129.581   4.883   4.602
  313   2HG2  VAL  14          HG22      VAL  64 129.254   4.433   6.273
  314   3HG2  VAL  14          HG23      VAL  64 127.972   5.129   5.285
  315    H    ARG  15           HN       ARG  65 127.130   0.751   3.011
  316    HA   ARG  15           HA       ARG  65 124.819   2.172   1.869
  317   1HB   ARG  15          HB2       ARG  65 126.252  -0.037   0.971
  318   2HB   ARG  15          HB1       ARG  65 124.855  -0.753   1.670
  319   1HG   ARG  15          HG2       ARG  65 125.109   0.928  -0.731
  320   2HG   ARG  15          HG1       ARG  65 124.180  -0.534  -0.511
  321   1HD   ARG  15          HD2       ARG  65 123.278   1.792   1.025
  322   2HD   ARG  15          HD1       ARG  65 123.187   1.926  -0.722
  323    HE   ARG  15           HE       ARG  65 121.722   0.025  -0.740
  324   1HH1  ARG  15          HH11      ARG  65 122.321   1.360   2.396
  325   2HH1  ARG  15          HH12      ARG  65 121.043   0.493   3.162
  326   1HH2  ARG  15          HH21      ARG  65 120.000  -1.111   0.260
  327   2HH2  ARG  15          HH22      ARG  65 119.709  -0.883   1.947
  328    H    LYS  16           HN       LYS  66 123.522   2.713   3.326
  329    HA   LYS  16           HA       LYS  66 122.452   0.754   5.208
  330   1HB   LYS  16          HB2       LYS  66 122.951   1.864   7.095
  331   2HB   LYS  16          HB1       LYS  66 124.263   2.519   6.137
  332   1HG   LYS  16          HG2       LYS  66 122.835   4.485   5.665
  333   2HG   LYS  16          HG1       LYS  66 121.613   3.818   6.757
  334   1HD   LYS  16          HD2       LYS  66 123.840   3.648   8.310
  335   2HD   LYS  16          HD1       LYS  66 124.229   5.078   7.363
  336   1HE   LYS  16          HE2       LYS  66 121.969   5.969   8.007
  337   2HE   LYS  16          HE1       LYS  66 121.844   4.625   9.134
  338   1HZ   LYS  16          HZ1       LYS  66 122.796   6.069  10.539
  339   2HZ   LYS  16          HZ2       LYS  66 123.424   7.043   9.307
  340   3HZ   LYS  16          HZ3       LYS  66 124.237   5.633   9.766
  341    H    ASP  17           HN       ASP  67 120.257   0.858   5.381
  342    HA   ASP  17           HA       ASP  67 118.133   1.592   5.005
  343   1HB   ASP  17          HB2       ASP  67 119.596   3.692   6.229
  344   2HB   ASP  17          HB1       ASP  67 118.480   4.384   5.077
  345    H    GLY  18           HN       GLY  68 119.455   1.042   2.624
  346   1HA   GLY  18          HA2       GLY  68 119.238   1.349   0.373
  347   2HA   GLY  18          HA1       GLY  68 117.787   2.252   0.758
  348    H    GLU  19           HN       GLU  69 120.672   3.553   2.158
  349    HA   GLU  19           HA       GLU  69 120.906   5.418  -0.081
  350   1HB   GLU  19          HB2       GLU  69 120.408   5.989   2.816
  351   2HB   GLU  19          HB1       GLU  69 121.179   7.170   1.789
  352   1HG   GLU  19          HG2       GLU  69 119.195   6.991   0.262
  353   2HG   GLU  19          HG1       GLU  69 118.418   6.037   1.524
  354    H    TRP  20           HN       TRP  70 122.820   6.794   0.093
  355    HA   TRP  20           HA       TRP  70 125.035   5.200   1.084
  356   1HB   TRP  20          HB2       TRP  70 125.040   7.477  -0.934
  357   2HB   TRP  20          HB1       TRP  70 126.463   6.634  -0.359
  358    HD1  TRP  20           HD1      TRP  70 123.897   6.342  -3.034
  359    HE1  TRP  20           HE1      TRP  70 124.114   4.019  -4.176
  360    HE3  TRP  20           HE3      TRP  70 126.974   4.060   0.336
  361    HZ2  TRP  20           HZ2      TRP  70 125.435   1.606  -3.683
  362    HZ3  TRP  20           HZ3      TRP  70 127.672   1.765  -0.081
  363    HH2  TRP  20           HH2      TRP  70 126.859   0.549  -2.026
  364    H    VAL  21           HN       VAL  71 125.744   5.662   3.010
  365    HA   VAL  21           HA       VAL  71 125.661   8.465   3.916
  366    HB   VAL  21           HB       VAL  71 126.170   6.087   5.685
  367   1HG1  VAL  21          HG11      VAL  71 126.915   8.301   6.455
  368   2HG1  VAL  21          HG12      VAL  71 125.651   7.617   7.478
  369   3HG1  VAL  21          HG13      VAL  71 125.257   8.886   6.317
  370   1HG2  VAL  21          HG21      VAL  71 123.751   6.688   6.489
  371   2HG2  VAL  21          HG22      VAL  71 124.004   5.574   5.146
  372   3HG2  VAL  21          HG23      VAL  71 123.566   7.250   4.828
  373    H    LEU  22           HN       LEU  72 127.380   9.435   4.607
  374    HA   LEU  22           HA       LEU  72 129.832   8.814   3.496
  375   1HB   LEU  22          HB2       LEU  72 128.665  10.814   5.168
  376   2HB   LEU  22          HB1       LEU  72 130.296  10.457   5.710
  377    HG   LEU  22           HG       LEU  72 129.431  11.458   3.003
  378   1HD1  LEU  22          HD11      LEU  72 131.056  13.251   3.538
  379   2HD1  LEU  22          HD12      LEU  72 131.237  12.555   5.150
  380   3HD1  LEU  22          HD13      LEU  72 129.676  13.197   4.637
  381   1HD2  LEU  22          HD21      LEU  72 131.090  10.210   2.179
  382   2HD2  LEU  22          HD22      LEU  72 131.777   9.892   3.774
  383   3HD2  LEU  22          HD23      LEU  72 132.149  11.400   2.940
  384    H    LEU  23           HN       LEU  73 131.419   7.567   4.018
  385    HA   LEU  23           HA       LEU  73 131.337   5.692   6.096
  386   1HB   LEU  23          HB2       LEU  73 132.600   5.342   4.091
  387   2HB   LEU  23          HB1       LEU  73 133.596   6.734   4.405
  388    HG   LEU  23           HG       LEU  73 134.810   5.668   6.100
  389   1HD1  LEU  23          HD11      LEU  73 133.096   3.229   6.114
  390   2HD1  LEU  23          HD12      LEU  73 132.652   4.627   7.092
  391   3HD1  LEU  23          HD13      LEU  73 134.207   3.835   7.341
  392   1HD2  LEU  23          HD21      LEU  73 134.265   3.426   4.188
  393   2HD2  LEU  23          HD22      LEU  73 135.743   3.766   5.064
  394   3HD2  LEU  23          HD23      LEU  73 135.228   4.842   3.770
  395    H    SER  24           HN       SER  74 133.024   8.773   5.791
  396    HA   SER  24           HA       SER  74 134.600   8.554   8.121
  397   1HB   SER  24          HB2       SER  74 134.296  11.234   7.862
  398   2HB   SER  24          HB1       SER  74 135.406  10.279   6.880
  399    HG   SER  24           HG       SER  74 133.243  11.674   6.112
  400    H    THR  25           HN       THR  75 131.218   9.204   7.739
  401    HA   THR  25           HA       THR  75 130.880  10.630  10.183
  402    HB   THR  25           HB       THR  75 129.022   9.118   8.374
  403    HG1  THR  25           HG1      THR  75 129.057  11.789   9.323
  404   1HG2  THR  25          HG21      THR  75 127.740   8.586  10.146
  405   2HG2  THR  25          HG22      THR  75 127.252  10.275  10.008
  406   3HG2  THR  25          HG23      THR  75 128.474   9.805  11.188
  407    H    PHE  26           HN       PHE  76 131.564   7.444   9.292
  408    HA   PHE  26           HA       PHE  76 130.708   6.224  11.795
  409   1HB   PHE  26          HB2       PHE  76 131.665   5.122   9.174
  410   2HB   PHE  26          HB1       PHE  76 131.367   4.112  10.571
  411    HD1  PHE  26           HD1      PHE  76 129.903   5.986   7.855
  412    HD2  PHE  26           HD2      PHE  76 129.050   3.931  11.483
  413    HE1  PHE  26           HE1      PHE  76 127.523   5.915   7.242
  414    HE2  PHE  26           HE2      PHE  76 126.665   3.847  10.879
  415    HZ   PHE  26           HZ       PHE  76 125.884   4.843   8.756
  416    H    LEU  27           HN       LEU  77 133.456   7.707  10.650
  417    HA   LEU  27           HA       LEU  77 135.180   5.968  12.284
  418   1HB   LEU  27          HB2       LEU  77 136.239   8.005  10.371
  419   2HB   LEU  27          HB1       LEU  77 136.987   6.521  10.938
  420    HG   LEU  27           HG       LEU  77 134.733   6.760   8.946
  421   1HD1  LEU  27          HD11      LEU  77 137.513   6.865   8.644
  422   2HD1  LEU  27          HD12      LEU  77 136.284   6.704   7.386
  423   3HD1  LEU  27          HD13      LEU  77 137.001   5.258   8.117
  424   1HD2  LEU  27          HD21      LEU  77 135.594   4.515  10.584
  425   2HD2  LEU  27          HD22      LEU  77 135.649   4.183   8.849
  426   3HD2  LEU  27          HD23      LEU  77 134.140   4.714   9.602
  427   1H    GLY   1           HT1      GLY 101 122.528   6.896 -11.953
  428   2H    GLY   1           HT2      GLY 101 121.902   6.346 -13.425
  429   3H    GLY   1           HT3      GLY 101 123.067   5.431 -12.608
  430   1HA   GLY   1          HA1       GLY 101 120.581   6.046 -11.198
  431   2HA   GLY   1          HA2       GLY 101 120.520   4.845 -12.478
  432    H    TYR   2           HN       TYR 102 122.532   3.270 -12.313
  433    HA   TYR   2           HA       TYR 102 122.714   2.429  -9.502
  434   1HB   TYR   2          HB2       TYR 102 122.152   0.844 -11.945
  435   2HB   TYR   2          HB1       TYR 102 122.987   0.065 -10.618
  436    HD1  TYR   2           HD1      TYR 102 121.408  -1.435  -9.738
  437    HD2  TYR   2           HD2      TYR 102 120.224   2.573 -10.538
  438    HE1  TYR   2           HE1      TYR 102 119.227  -1.858  -8.677
  439    HE2  TYR   2           HE2      TYR 102 118.054   2.154  -9.469
  440    HH   TYR   2           HH       TYR 102 117.082  -1.054  -8.480
  441    H    ILE   3           HN       ILE 103 124.637   1.534  -8.760
  442    HA   ILE   3           HA       ILE 103 127.028   2.272 -10.268
  443    HB   ILE   3           HB       ILE 103 128.192   1.328  -8.183
  444   1HG1  ILE   3          HG12      ILE 103 125.389   1.710  -7.159
  445   2HG1  ILE   3          HG11      ILE 103 126.431   0.297  -7.050
  446   1HG2  ILE   3          HG21      ILE 103 127.627   3.597  -6.969
  447   2HG2  ILE   3          HG22      ILE 103 126.868   3.941  -8.514
  448   3HG2  ILE   3          HG23      ILE 103 128.573   3.535  -8.455
  449   1HD1  ILE   3          HD11      ILE 103 127.895   2.190  -5.769
  450   2HD1  ILE   3          HD12      ILE 103 126.855   1.001  -4.985
  451   3HD1  ILE   3          HD13      ILE 103 126.248   2.624  -5.322
  452    HA   PRO   4           HA       PRO 104 127.923  -1.957 -11.005
  453   1HB   PRO   4          HB2       PRO 104 130.510  -1.849 -11.684
  454   2HB   PRO   4          HB1       PRO 104 129.300  -1.014 -12.668
  455   1HG   PRO   4          HG2       PRO 104 131.215   0.104 -10.673
  456   2HG   PRO   4          HG1       PRO 104 130.622   0.817 -12.182
  457   1HD   PRO   4          HD2       PRO 104 129.656   1.354  -9.570
  458   2HD   PRO   4          HD1       PRO 104 128.892   1.829 -11.105
  459    H    GLU   5           HN       GLU 105 128.628  -3.753 -10.194
  460    HA   GLU   5           HA       GLU 105 128.957  -3.968  -7.473
  461   1HB   GLU   5          HB2       GLU 105 128.059  -5.824  -8.558
  462   2HB   GLU   5          HB1       GLU 105 129.336  -5.876  -9.761
  463   1HG   GLU   5          HG2       GLU 105 130.609  -7.218  -8.517
  464   2HG   GLU   5          HG1       GLU 105 130.278  -6.321  -7.036
  465    H    ALA   6           HN       ALA 106 130.601  -4.446  -6.105
  466    HA   ALA   6           HA       ALA 106 133.267  -3.614  -6.880
  467   1HB   ALA   6          HB1       ALA 106 131.853  -3.194  -4.628
  468   2HB   ALA   6          HB2       ALA 106 133.616  -3.171  -4.682
  469   3HB   ALA   6          HB3       ALA 106 132.771  -4.620  -4.144
  470    HA   PRO   7           HA       PRO 107 135.343  -7.485  -7.500
  471   1HB   PRO   7          HB2       PRO 107 137.172  -6.596  -5.322
  472   2HB   PRO   7          HB1       PRO 107 137.551  -7.190  -6.943
  473   1HG   PRO   7          HG2       PRO 107 137.714  -4.598  -6.394
  474   2HG   PRO   7          HG1       PRO 107 137.062  -5.154  -7.947
  475   1HD   PRO   7          HD2       PRO 107 135.631  -4.064  -5.569
  476   2HD   PRO   7          HD1       PRO 107 135.262  -3.877  -7.295
  477    H    ARG   8           HN       ARG 108 135.621  -9.535  -6.576
  478    HA   ARG   8           HA       ARG 108 134.485  -9.855  -3.888
  479   1HB   ARG   8          HB2       ARG 108 134.267 -11.486  -6.342
  480   2HB   ARG   8          HB1       ARG 108 134.088 -12.255  -4.780
  481   1HG   ARG   8          HG2       ARG 108 132.386 -10.298  -4.372
  482   2HG   ARG   8          HG1       ARG 108 132.326 -10.278  -6.134
  483   1HD   ARG   8          HD2       ARG 108 131.970 -12.831  -5.910
  484   2HD   ARG   8          HD1       ARG 108 131.554 -12.463  -4.238
  485    HE   ARG   8           HE       ARG 108 129.527 -11.790  -4.991
  486   1HH1  ARG   8          HH11      ARG 108 131.801 -11.411  -7.611
  487   2HH1  ARG   8          HH12      ARG 108 130.604 -10.851  -8.730
  488   1HH2  ARG   8          HH21      ARG 108 127.956 -11.063  -6.460
  489   2HH2  ARG   8          HH22      ARG 108 128.422 -10.655  -8.077
  490    H    ASP   9           HN       ASP 109 136.986  -9.303  -3.628
  491    HA   ASP   9           HA       ASP 109 138.515 -11.831  -3.526
  492   1HB   ASP   9          HB2       ASP 109 140.495 -10.379  -3.200
  493   2HB   ASP   9          HB1       ASP 109 139.671 -10.072  -4.724
  494    H    GLY  10           HN       GLY 110 136.418 -10.684  -1.616
  495   1HA   GLY  10          HA2       GLY 110 136.103 -11.070   0.644
  496   2HA   GLY  10          HA1       GLY 110 137.787 -11.536   0.773
  497    H    GLN  11           HN       GLN 111 137.434  -8.480  -0.707
  498    HA   GLN  11           HA       GLN 111 138.132  -7.240   1.860
  499   1HB   GLN  11          HB2       GLN 111 138.911  -6.689  -0.917
  500   2HB   GLN  11          HB1       GLN 111 138.620  -5.299   0.017
  501   1HG   GLN  11          HG2       GLN 111 140.979  -6.703  -0.180
  502   2HG   GLN  11          HG1       GLN 111 140.638  -5.444   0.965
  503   1HE2  GLN  11          HE21      GLN 111 139.404  -6.365   2.957
  504   2HE2  GLN  11          HE22      GLN 111 140.107  -7.763   3.636
  505    H    ALA  12           HN       ALA 112 137.235  -5.205   2.369
  506    HA   ALA  12           HA       ALA 112 134.492  -4.955   1.431
  507   1HB   ALA  12          HB1       ALA 112 134.652  -5.137   3.796
  508   2HB   ALA  12          HB2       ALA 112 134.223  -3.468   3.420
  509   3HB   ALA  12          HB3       ALA 112 135.876  -3.871   3.870
  510    H    TYR  13           HN       TYR 113 133.712  -3.332   0.390
  511    HA   TYR  13           HA       TYR 113 135.548  -1.117  -0.190
  512   1HB   TYR  13          HB2       TYR 113 133.540  -2.501  -1.912
  513   2HB   TYR  13          HB1       TYR 113 134.135  -0.930  -2.292
  514    HD1  TYR  13           HD1      TYR 113 134.769  -4.347  -2.605
  515    HD2  TYR  13           HD2      TYR 113 136.679  -0.607  -2.294
  516    HE1  TYR  13           HE1      TYR 113 136.824  -5.343  -3.533
  517    HE2  TYR  13           HE2      TYR 113 138.734  -1.545  -3.197
  518    HH   TYR  13           HH       TYR 113 138.896  -4.916  -4.303
  519    H    VAL  14           HN       VAL 114 134.671   0.857  -0.549
  520    HA   VAL  14           HA       VAL 114 132.073   1.459   0.705
  521    HB   VAL  14           HB       VAL 114 134.369   3.368   0.538
  522   1HG1  VAL  14          HG11      VAL 114 133.551   4.363   2.497
  523   2HG1  VAL  14          HG12      VAL 114 132.561   2.956   2.893
  524   3HG1  VAL  14          HG13      VAL 114 132.128   3.995   1.538
  525   1HG2  VAL  14          HG21      VAL 114 134.304   1.550   2.880
  526   2HG2  VAL  14          HG22      VAL 114 135.669   2.382   2.137
  527   3HG2  VAL  14          HG23      VAL 114 134.992   0.949   1.378
  528    H    ARG  15           HN       ARG 115 130.997   3.289  -0.347
  529    HA   ARG  15           HA       ARG 115 131.816   3.289  -3.150
  530   1HB   ARG  15          HB2       ARG 115 129.413   2.668  -2.008
  531   2HB   ARG  15          HB1       ARG 115 129.140   4.290  -2.485
  532   1HG   ARG  15          HG2       ARG 115 129.444   1.885  -4.104
  533   2HG   ARG  15          HG1       ARG 115 128.433   3.288  -4.381
  534   1HD   ARG  15          HD2       ARG 115 131.176   4.025  -4.672
  535   2HD   ARG  15          HD1       ARG 115 130.833   2.560  -5.596
  536    HE   ARG  15           HE       ARG 115 129.496   3.796  -6.997
  537   1HH1  ARG  15          HH11      ARG 115 130.430   5.747  -4.286
  538   2HH1  ARG  15          HH12      ARG 115 129.571   7.147  -4.816
  539   1HH2  ARG  15          HH21      ARG 115 128.284   5.649  -7.654
  540   2HH2  ARG  15          HH22      ARG 115 128.358   7.091  -6.711
  541    H    LYS  16           HN       LYS 116 132.990   4.844  -3.680
  542    HA   LYS  16           HA       LYS 116 132.280   7.579  -2.973
  543   1HB   LYS  16          HB2       LYS 116 134.014   7.646  -1.561
  544   2HB   LYS  16          HB1       LYS 116 134.659   6.143  -2.148
  545   1HG   LYS  16          HG2       LYS 116 135.753   7.374  -3.982
  546   2HG   LYS  16          HG1       LYS 116 135.097   8.878  -3.329
  547   1HD   LYS  16          HD2       LYS 116 136.545   7.177  -1.404
  548   2HD   LYS  16          HD1       LYS 116 137.530   7.906  -2.673
  549   1HE   LYS  16          HE2       LYS 116 137.299   9.967  -1.822
  550   2HE   LYS  16          HE1       LYS 116 135.613   9.712  -1.394
  551   1HZ   LYS  16          HZ1       LYS 116 138.007   9.336   0.193
  552   2HZ   LYS  16          HZ2       LYS 116 136.813   8.156   0.377
  553   3HZ   LYS  16          HZ3       LYS 116 136.445   9.774   0.672
  554    H    ASP  17           HN       ASP 117 132.072   8.770  -4.777
  555    HA   ASP  17           HA       ASP 117 132.345   9.467  -6.927
  556   1HB   ASP  17          HB2       ASP 117 134.904   9.136  -5.742
  557   2HB   ASP  17          HB1       ASP 117 135.038   8.584  -7.401
  558    H    GLY  18           HN       GLY 118 131.069   7.049  -6.841
  559   1HA   GLY  18          HA2       GLY 118 130.426   5.333  -8.192
  560   2HA   GLY  18          HA1       GLY 118 131.356   6.108  -9.455
  561    H    GLU  19           HN       GLU 119 133.253   5.177  -6.687
  562    HA   GLU  19           HA       GLU 119 133.953   2.699  -8.066
  563   1HB   GLU  19          HB2       GLU 119 135.765   4.852  -7.018
  564   2HB   GLU  19          HB1       GLU 119 136.324   3.231  -7.346
  565   1HG   GLU  19          HG2       GLU 119 135.371   3.569  -9.694
  566   2HG   GLU  19          HG1       GLU 119 135.320   5.279  -9.274
  567    H    TRP  20           HN       TRP 120 135.143   1.192  -6.746
  568    HA   TRP  20           HA       TRP 120 134.085   1.181  -4.039
  569   1HB   TRP  20          HB2       TRP 120 135.166  -1.041  -5.777
  570   2HB   TRP  20          HB1       TRP 120 134.769  -1.241  -4.082
  571    HD1  TRP  20           HD1      TRP 120 133.126  -1.678  -7.301
  572    HE1  TRP  20           HE1      TRP 120 130.550  -1.564  -7.040
  573    HE3  TRP  20           HE3      TRP 120 132.862   0.312  -2.612
  574    HZ2  TRP  20           HZ2      TRP 120 128.712  -0.758  -5.076
  575    HZ3  TRP  20           HZ3      TRP 120 130.685   0.698  -1.621
  576    HH2  TRP  20           HH2      TRP 120 128.648   0.228  -2.855
  577    H    VAL  21           HN       VAL 121 135.277   1.892  -2.503
  578    HA   VAL  21           HA       VAL 121 138.207   1.693  -2.672
  579    HB   VAL  21           HB       VAL 121 138.361   3.700  -1.457
  580   1HG1  VAL  21          HG11      VAL 121 135.899   3.926  -3.171
  581   2HG1  VAL  21          HG12      VAL 121 137.571   4.055  -3.724
  582   3HG1  VAL  21          HG13      VAL 121 136.907   5.263  -2.620
  583   1HG2  VAL  21          HG21      VAL 121 135.428   3.492  -0.807
  584   2HG2  VAL  21          HG22      VAL 121 136.527   4.748  -0.253
  585   3HG2  VAL  21          HG23      VAL 121 136.724   3.086   0.312
  586    H    LEU  22           HN       LEU 122 139.272   0.606  -1.270
  587    HA   LEU  22           HA       LEU 122 138.090  -1.174   0.440
  588   1HB   LEU  22          HB2       LEU 122 140.707  -0.317  -0.225
  589   2HB   LEU  22          HB1       LEU 122 140.598  -0.644   1.500
  590    HG   LEU  22           HG       LEU 122 140.285  -2.512  -0.808
  591   1HD1  LEU  22          HD11      LEU 122 142.156  -2.141   1.223
  592   2HD1  LEU  22          HD12      LEU 122 142.094  -3.440   0.032
  593   3HD1  LEU  22          HD13      LEU 122 141.311  -3.642   1.604
  594   1HD2  LEU  22          HD21      LEU 122 138.328  -3.219   0.062
  595   2HD2  LEU  22          HD22      LEU 122 138.684  -2.568   1.667
  596   3HD2  LEU  22          HD23      LEU 122 139.407  -4.080   1.152
  597    H    LEU  23           HN       LEU 123 137.155  -1.044   2.313
  598    HA   LEU  23           HA       LEU 123 136.652   1.392   3.626
  599   1HB   LEU  23          HB2       LEU 123 135.446  -0.957   3.763
  600   2HB   LEU  23          HB1       LEU 123 136.513  -1.230   5.079
  601    HG   LEU  23           HG       LEU 123 134.236   0.567   4.874
  602   1HD1  LEU  23          HD11      LEU 123 134.446  -0.560   7.393
  603   2HD1  LEU  23          HD12      LEU 123 134.916  -1.822   6.256
  604   3HD1  LEU  23          HD13      LEU 123 133.350  -1.029   6.095
  605   1HD2  LEU  23          HD21      LEU 123 135.413   1.107   7.326
  606   2HD2  LEU  23          HD22      LEU 123 135.212   2.214   5.971
  607   3HD2  LEU  23          HD23      LEU 123 136.680   1.272   6.129
  608    H    SER  24           HN       SER 124 139.116  -1.110   4.205
  609    HA   SER  24           HA       SER 124 139.986  -0.181   6.716
  610   1HB   SER  24          HB2       SER 124 140.915  -2.055   4.682
  611   2HB   SER  24          HB1       SER 124 142.248  -1.228   5.488
  612    HG   SER  24           HG       SER 124 140.119  -2.435   6.910
  613    H    THR  25           HN       THR 125 140.400   1.159   3.560
  614    HA   THR  25           HA       THR 125 142.796   2.594   4.116
  615    HB   THR  25           HB       THR 125 140.580   3.108   2.129
  616    HG1  THR  25           HG1      THR 125 141.847   1.231   1.796
  617   1HG2  THR  25          HG21      THR 125 141.498   4.999   1.460
  618   2HG2  THR  25          HG22      THR 125 143.086   4.240   1.348
  619   3HG2  THR  25          HG23      THR 125 142.552   4.946   2.872
  620    H    PHE  26           HN       PHE 126 139.533   2.817   5.041
  621    HA   PHE  26           HA       PHE 126 139.675   5.611   5.859
  622   1HB   PHE  26          HB2       PHE 126 137.386   3.651   5.631
  623   2HB   PHE  26          HB1       PHE 126 137.215   5.284   6.233
  624    HD1  PHE  26           HD1      PHE 126 138.285   3.366   3.251
  625    HD2  PHE  26           HD2      PHE 126 136.979   7.108   4.804
  626    HE1  PHE  26           HE1      PHE 126 138.094   4.244   0.958
  627    HE2  PHE  26           HE2      PHE 126 136.780   7.993   2.518
  628    HZ   PHE  26           HZ       PHE 126 137.341   6.573   0.584
  629    H    LEU  27           HN       LEU 127 140.245   2.586   7.224
  630    HA   LEU  27           HA       LEU 127 139.566   3.631   9.889
  631   1HB   LEU  27          HB2       LEU 127 140.182   0.751   9.391
  632   2HB   LEU  27          HB1       LEU 127 139.197   1.475  10.652
  633    HG   LEU  27           HG       LEU 127 138.402   1.346   7.744
  634   1HD1  LEU  27          HD11      LEU 127 138.500  -0.736   9.595
  635   2HD1  LEU  27          HD12      LEU 127 137.646  -0.703   8.049
  636   3HD1  LEU  27          HD13      LEU 127 136.816  -0.212   9.531
  637   1HD2  LEU  27          HD21      LEU 127 136.133   1.552   9.227
  638   2HD2  LEU  27          HD22      LEU 127 136.939   2.897   8.411
  639   3HD2  LEU  27          HD23      LEU 127 137.246   2.591  10.122
  Start of MODEL    9
    1   1H    GLY   1           HT1      GLY   1 129.149  -4.895 -14.829
    2   2H    GLY   1           HT2      GLY   1 128.654  -3.335 -14.402
    3   3H    GLY   1           HT3      GLY   1 127.943  -4.115 -15.723
    4   1HA   GLY   1          HA1       GLY   1 126.346  -4.826 -14.393
    5   2HA   GLY   1          HA2       GLY   1 127.563  -5.852 -13.639
    6    H    TYR   2           HN       TYR   2 125.630  -5.200 -11.930
    7    HA   TYR   2           HA       TYR   2 126.832  -3.126 -10.247
    8   1HB   TYR   2          HB2       TYR   2 123.898  -3.510 -10.569
    9   2HB   TYR   2          HB1       TYR   2 124.670  -2.277  -9.616
   10    HD1  TYR   2           HD1      TYR   2 122.705  -2.565 -12.270
   11    HD2  TYR   2           HD2      TYR   2 126.560  -1.040 -11.401
   12    HE1  TYR   2           HE1      TYR   2 122.514  -1.014 -14.167
   13    HE2  TYR   2           HE2      TYR   2 126.399   0.508 -13.294
   14    HH   TYR   2           HH       TYR   2 124.605   1.592 -14.627
   15    H    ILE   3           HN       ILE   3 126.034  -3.273  -7.951
   16    HA   ILE   3           HA       ILE   3 125.996  -6.079  -7.078
   17    HB   ILE   3           HB       ILE   3 125.898  -4.934  -4.755
   18   1HG1  ILE   3          HG12      ILE   3 126.886  -2.688  -6.490
   19   2HG1  ILE   3          HG11      ILE   3 125.526  -2.721  -5.384
   20   1HG2  ILE   3          HG21      ILE   3 128.075  -5.706  -6.416
   21   2HG2  ILE   3          HG22      ILE   3 127.881  -5.856  -4.686
   22   3HG2  ILE   3          HG23      ILE   3 128.573  -4.394  -5.357
   23   1HD1  ILE   3          HD11      ILE   3 128.430  -2.713  -4.701
   24   2HD1  ILE   3          HD12      ILE   3 127.159  -3.051  -3.537
   25   3HD1  ILE   3          HD13      ILE   3 127.221  -1.482  -4.330
   26    HA   PRO   4           HA       PRO   4 121.770  -5.670  -5.888
   27   1HB   PRO   4          HB2       PRO   4 121.726  -7.702  -3.959
   28   2HB   PRO   4          HB1       PRO   4 121.505  -7.949  -5.692
   29   1HG   PRO   4          HG2       PRO   4 123.705  -8.783  -4.078
   30   2HG   PRO   4          HG1       PRO   4 123.517  -8.966  -5.827
   31   1HD   PRO   4          HD2       PRO   4 125.083  -6.978  -4.304
   32   2HD   PRO   4          HD1       PRO   4 125.274  -7.523  -5.981
   33    H    GLU   5           HN       GLU   5 120.454  -4.789  -4.380
   34    HA   GLU   5           HA       GLU   5 121.573  -2.940  -2.690
   35   1HB   GLU   5          HB2       GLU   5 119.422  -2.507  -3.540
   36   2HB   GLU   5          HB1       GLU   5 118.776  -4.016  -2.914
   37   1HG   GLU   5          HG2       GLU   5 118.024  -2.909  -1.172
   38   2HG   GLU   5          HG1       GLU   5 119.676  -2.597  -0.673
   39    H    ALA   6           HN       ALA   6 121.805  -2.676  -0.539
   40    HA   ALA   6           HA       ALA   6 122.095  -5.077   1.073
   41   1HB   ALA   6          HB1       ALA   6 123.531  -3.868   2.401
   42   2HB   ALA   6          HB2       ALA   6 122.667  -2.353   2.133
   43   3HB   ALA   6          HB3       ALA   6 123.710  -3.007   0.872
   44    HA   PRO   7           HA       PRO   7 118.493  -4.892   3.639
   45   1HB   PRO   7          HB2       PRO   7 120.270  -4.613   6.001
   46   2HB   PRO   7          HB1       PRO   7 119.009  -5.806   5.670
   47   1HG   PRO   7          HG2       PRO   7 121.584  -6.462   5.484
   48   2HG   PRO   7          HG1       PRO   7 120.393  -7.092   4.327
   49   1HD   PRO   7          HD2       PRO   7 122.416  -4.924   3.979
   50   2HD   PRO   7          HD1       PRO   7 121.860  -6.144   2.818
   51    H    ARG   8           HN       ARG   8 117.161  -3.519   4.824
   52    HA   ARG   8           HA       ARG   8 118.157  -0.782   5.198
   53   1HB   ARG   8          HB2       ARG   8 115.410  -1.740   4.593
   54   2HB   ARG   8          HB1       ARG   8 115.822  -0.071   4.913
   55   1HG   ARG   8          HG2       ARG   8 117.457  -0.291   2.976
   56   2HG   ARG   8          HG1       ARG   8 116.589  -1.773   2.580
   57   1HD   ARG   8          HD2       ARG   8 115.222   0.858   2.981
   58   2HD   ARG   8          HD1       ARG   8 115.823   0.335   1.409
   59    HE   ARG   8           HE       ARG   8 113.421  -0.487   2.652
   60   1HH1  ARG   8          HH11      ARG   8 116.047  -1.724   0.710
   61   2HH1  ARG   8          HH12      ARG   8 115.100  -3.001   0.024
   62   1HH2  ARG   8          HH21      ARG   8 112.178  -2.163   1.747
   63   2HH2  ARG   8          HH22      ARG   8 112.904  -3.249   0.610
   64    H    ASP   9           HN       ASP   9 118.898  -1.269   7.297
   65    HA   ASP   9           HA       ASP   9 116.749  -1.356   9.332
   66   1HB   ASP   9          HB2       ASP   9 118.350  -2.598  10.789
   67   2HB   ASP   9          HB1       ASP   9 117.807  -3.504   9.382
   68    H    GLY  10           HN       GLY  10 118.686   0.737   8.018
   69   1HA   GLY  10          HA2       GLY  10 119.409   2.802   8.822
   70   2HA   GLY  10          HA1       GLY  10 118.960   2.280  10.442
   71    H    GLN  11           HN       GLN  11 120.912   0.058   8.802
   72    HA   GLN  11           HA       GLN  11 123.283   1.043  10.219
   73   1HB   GLN  11          HB2       GLN  11 122.836  -1.809   9.509
   74   2HB   GLN  11          HB1       GLN  11 123.963  -1.137  10.665
   75   1HG   GLN  11          HG2       GLN  11 121.788  -0.313  11.855
   76   2HG   GLN  11          HG1       GLN  11 121.049  -1.628  10.948
   77   1HE2  GLN  11          HE21      GLN  11 121.072  -3.558  11.845
   78   2HE2  GLN  11          HE22      GLN  11 122.104  -4.068  13.133
   79    H    ALA  12           HN       ALA  12 125.267   0.879   9.220
   80    HA   ALA  12           HA       ALA  12 125.126   1.054   6.330
   81   1HB   ALA  12          HB1       ALA  12 127.696   1.449   7.709
   82   2HB   ALA  12          HB2       ALA  12 126.400   2.548   8.178
   83   3HB   ALA  12          HB3       ALA  12 126.895   2.439   6.492
   84    H    TYR  13           HN       TYR  13 126.041  -0.149   4.935
   85    HA   TYR  13           HA       TYR  13 127.480  -2.539   5.851
   86   1HB   TYR  13          HB2       TYR  13 125.607  -2.186   3.547
   87   2HB   TYR  13          HB1       TYR  13 126.645  -3.544   3.706
   88    HD1  TYR  13           HD1      TYR  13 123.529  -2.278   4.503
   89    HD2  TYR  13           HD2      TYR  13 126.550  -4.821   5.930
   90    HE1  TYR  13           HE1      TYR  13 121.894  -3.349   5.996
   91    HE2  TYR  13           HE2      TYR  13 124.982  -5.860   7.470
   92    HH   TYR  13           HH       TYR  13 121.551  -5.208   7.342
   93    H    VAL  14           HN       VAL  14 129.081  -3.284   4.554
   94    HA   VAL  14           HA       VAL  14 130.167  -1.347   2.651
   95    HB   VAL  14           HB       VAL  14 131.883  -1.283   4.109
   96   1HG1  VAL  14          HG11      VAL  14 130.486  -3.285   5.460
   97   2HG1  VAL  14          HG12      VAL  14 131.772  -2.261   6.072
   98   3HG1  VAL  14          HG13      VAL  14 132.148  -3.815   5.337
   99   1HG2  VAL  14          HG21      VAL  14 133.246  -3.630   3.809
  100   2HG2  VAL  14          HG22      VAL  14 133.413  -2.198   2.798
  101   3HG2  VAL  14          HG23      VAL  14 132.333  -3.501   2.318
  102    H    ARG  15           HN       ARG  15 131.300  -2.332   0.832
  103    HA   ARG  15           HA       ARG  15 129.912  -4.817   0.190
  104   1HB   ARG  15          HB2       ARG  15 129.889  -2.446  -1.107
  105   2HB   ARG  15          HB1       ARG  15 131.145  -3.236  -1.999
  106   1HG   ARG  15          HG2       ARG  15 128.310  -3.488  -2.189
  107   2HG   ARG  15          HG1       ARG  15 129.532  -4.122  -3.271
  108   1HD   ARG  15          HD2       ARG  15 129.633  -5.887  -1.220
  109   2HD   ARG  15          HD1       ARG  15 127.951  -5.391  -1.165
  110    HE   ARG  15           HE       ARG  15 129.229  -6.567  -3.551
  111   1HH1  ARG  15          HH11      ARG  15 126.459  -6.151  -1.452
  112   2HH1  ARG  15          HH12      ARG  15 125.491  -7.315  -2.288
  113   1HH2  ARG  15          HH21      ARG  15 127.906  -8.116  -4.647
  114   2HH2  ARG  15          HH22      ARG  15 126.312  -8.432  -4.069
  115    H    LYS  16           HN       LYS  16 131.054  -6.497   0.599
  116    HA   LYS  16           HA       LYS  16 133.730  -6.788  -0.551
  117   1HB   LYS  16          HB2       LYS  16 134.615  -6.697   1.501
  118   2HB   LYS  16          HB1       LYS  16 133.059  -6.839   2.274
  119   1HG   LYS  16          HG2       LYS  16 133.273  -9.363   1.742
  120   2HG   LYS  16          HG1       LYS  16 134.979  -8.988   1.465
  121   1HD   LYS  16          HD2       LYS  16 134.769  -7.773   3.771
  122   2HD   LYS  16          HD1       LYS  16 133.391  -8.848   3.985
  123   1HE   LYS  16          HE2       LYS  16 135.205 -10.628   3.163
  124   2HE   LYS  16          HE1       LYS  16 136.282  -9.436   3.894
  125   1HZ   LYS  16          HZ1       LYS  16 134.205 -11.080   5.169
  126   2HZ   LYS  16          HZ2       LYS  16 134.619  -9.589   5.852
  127   3HZ   LYS  16          HZ3       LYS  16 135.797 -10.789   5.666
  128    H    ASP  17           HN       ASP  17 133.924  -8.636  -1.700
  129    HA   ASP  17           HA       ASP  17 133.389 -10.681  -2.590
  130   1HB   ASP  17          HB2       ASP  17 133.487 -10.919   0.267
  131   2HB   ASP  17          HB1       ASP  17 132.318 -12.038  -0.393
  132    H    GLY  18           HN       GLY  18 131.370  -8.869  -3.082
  133   1HA   GLY  18          HA2       GLY  18 129.236  -8.821  -3.850
  134   2HA   GLY  18          HA1       GLY  18 129.262 -10.566  -3.777
  135    H    GLU  19           HN       GLU  19 129.750  -8.983  -0.693
  136    HA   GLU  19           HA       GLU  19 126.887  -9.273  -0.148
  137   1HB   GLU  19          HB2       GLU  19 129.030 -10.139   1.781
  138   2HB   GLU  19          HB1       GLU  19 127.303 -10.432   1.881
  139   1HG   GLU  19          HG2       GLU  19 127.696 -11.706  -0.368
  140   2HG   GLU  19          HG1       GLU  19 129.359 -11.782   0.216
  141    H    TRP  20           HN       TRP  20 126.136  -8.150   1.742
  142    HA   TRP  20           HA       TRP  20 127.613  -5.662   2.098
  143   1HB   TRP  20          HB2       TRP  20 124.745  -6.361   2.827
  144   2HB   TRP  20          HB1       TRP  20 125.524  -4.835   3.159
  145    HD1  TRP  20           HD1      TRP  20 123.580  -6.425   0.421
  146    HE1  TRP  20           HE1      TRP  20 123.818  -4.988  -1.735
  147    HE3  TRP  20           HE3      TRP  20 127.427  -3.411   1.865
  148    HZ2  TRP  20           HZ2      TRP  20 125.408  -2.902  -2.646
  149    HZ3  TRP  20           HZ3      TRP  20 128.246  -1.722   0.298
  150    HH2  TRP  20           HH2      TRP  20 127.256  -1.497  -1.907
  151    H    VAL  21           HN       VAL  21 128.925  -5.503   3.774
  152    HA   VAL  21           HA       VAL  21 128.274  -7.043   6.211
  153    HB   VAL  21           HB       VAL  21 130.984  -5.900   5.589
  154   1HG1  VAL  21          HG11      VAL  21 130.445  -6.401   7.924
  155   2HG1  VAL  21          HG12      VAL  21 131.735  -7.432   7.306
  156   3HG1  VAL  21          HG13      VAL  21 130.100  -8.072   7.477
  157   1HG2  VAL  21          HG21      VAL  21 130.733  -8.808   5.362
  158   2HG2  VAL  21          HG22      VAL  21 131.653  -7.667   4.380
  159   3HG2  VAL  21          HG23      VAL  21 129.933  -7.911   4.071
  160    H    LEU  22           HN       LEU  22 128.235  -6.081   8.094
  161    HA   LEU  22           HA       LEU  22 127.521  -3.399   8.269
  162   1HB   LEU  22          HB2       LEU  22 127.931  -5.642   9.997
  163   2HB   LEU  22          HB1       LEU  22 128.432  -4.140  10.766
  164    HG   LEU  22           HG       LEU  22 125.716  -4.950   9.800
  165   1HD1  LEU  22          HD11      LEU  22 126.530  -3.523  12.291
  166   2HD1  LEU  22          HD12      LEU  22 126.518  -5.280  12.155
  167   3HD1  LEU  22          HD13      LEU  22 125.020  -4.368  11.960
  168   1HD2  LEU  22          HD21      LEU  22 125.738  -2.879   8.784
  169   2HD2  LEU  22          HD22      LEU  22 126.812  -2.178   9.997
  170   3HD2  LEU  22          HD23      LEU  22 125.128  -2.504  10.391
  171    H    LEU  23           HN       LEU  23 128.567  -1.636   8.275
  172    HA   LEU  23           HA       LEU  23 131.308  -1.379   7.846
  173   1HB   LEU  23          HB2       LEU  23 129.856   0.355   7.179
  174   2HB   LEU  23          HB1       LEU  23 129.147   0.500   8.767
  175    HG   LEU  23           HG       LEU  23 131.031   1.646   9.637
  176   1HD1  LEU  23          HD11      LEU  23 132.800   0.338   8.523
  177   2HD1  LEU  23          HD12      LEU  23 133.054   2.081   8.433
  178   3HD1  LEU  23          HD13      LEU  23 132.454   1.200   7.025
  179   1HD2  LEU  23          HD21      LEU  23 130.697   3.604   8.597
  180   2HD2  LEU  23          HD22      LEU  23 129.424   2.705   7.794
  181   3HD2  LEU  23          HD23      LEU  23 130.981   2.948   7.002
  182    H    SER  24           HN       SER  24 129.449  -1.337  10.864
  183    HA   SER  24           HA       SER  24 131.486  -0.311  12.517
  184   1HB   SER  24          HB2       SER  24 129.189  -2.159  13.191
  185   2HB   SER  24          HB1       SER  24 130.184  -1.304  14.370
  186    HG   SER  24           HG       SER  24 128.046  -0.417  13.067
  187    H    THR  25           HN       THR  25 131.127  -3.417  11.032
  188    HA   THR  25           HA       THR  25 132.654  -4.875  12.936
  189    HB   THR  25           HB       THR  25 132.021  -5.369  10.037
  190    HG1  THR  25           HG1      THR  25 130.358  -6.226  10.940
  191   1HG2  THR  25          HG21      THR  25 133.813  -6.702   9.937
  192   2HG2  THR  25          HG22      THR  25 132.834  -7.789  10.922
  193   3HG2  THR  25          HG23      THR  25 134.020  -6.733  11.688
  194    H    PHE  26           HN       PHE  26 133.353  -2.540  10.557
  195    HA   PHE  26           HA       PHE  26 136.153  -3.262  10.291
  196   1HB   PHE  26          HB2       PHE  26 134.400  -1.285   8.871
  197   2HB   PHE  26          HB1       PHE  26 136.142  -1.337   8.636
  198    HD1  PHE  26           HD1      PHE  26 132.975  -3.072   8.092
  199    HD2  PHE  26           HD2      PHE  26 137.185  -3.255   7.539
  200    HE1  PHE  26           HE1      PHE  26 132.678  -4.966   6.580
  201    HE2  PHE  26           HE2      PHE  26 136.900  -5.149   5.995
  202    HZ   PHE  26           HZ       PHE  26 134.646  -6.022   5.515
  203    H    LEU  27           HN       LEU  27 134.259  -1.007  12.115
  204    HA   LEU  27           HA       LEU  27 136.730   0.480  12.642
  205   1HB   LEU  27          HB2       LEU  27 134.202   1.508  13.736
  206   2HB   LEU  27          HB1       LEU  27 135.508   2.353  12.925
  207    HG   LEU  27           HG       LEU  27 133.737   0.595  11.286
  208   1HD1  LEU  27          HD11      LEU  27 132.929   3.394  11.694
  209   2HD1  LEU  27          HD12      LEU  27 132.440   2.203  12.900
  210   3HD1  LEU  27          HD13      LEU  27 131.972   1.998  11.211
  211   1HD2  LEU  27          HD21      LEU  27 134.371   3.225  10.285
  212   2HD2  LEU  27          HD22      LEU  27 134.716   1.640   9.592
  213   3HD2  LEU  27          HD23      LEU  27 135.823   2.348  10.767
  214   1H    GLY   1           HT1      GLY  51 115.224  -5.939  -6.019
  215   2H    GLY   1           HT2      GLY  51 116.359  -5.809  -7.265
  216   3H    GLY   1           HT3      GLY  51 116.158  -4.538  -6.168
  217   1HA   GLY   1          HA1       GLY  51 116.900  -6.040  -4.359
  218   2HA   GLY   1          HA2       GLY  51 117.266  -7.229  -5.596
  219    H    TYR   2           HN       TYR  52 117.827  -4.089  -6.711
  220    HA   TYR   2           HA       TYR  52 120.672  -4.302  -6.019
  221   1HB   TYR   2          HB2       TYR  52 119.374  -3.789  -8.628
  222   2HB   TYR   2          HB1       TYR  52 120.876  -2.952  -8.290
  223    HD1  TYR   2           HD1      TYR  52 122.444  -3.963  -9.662
  224    HD2  TYR   2           HD2      TYR  52 119.836  -6.422  -7.384
  225    HE1  TYR   2           HE1      TYR  52 123.712  -5.949 -10.363
  226    HE2  TYR   2           HE2      TYR  52 121.099  -8.414  -8.066
  227    HH   TYR   2           HH       TYR  52 123.554  -8.852  -8.859
  228    H    ILE   3           HN       ILE  53 121.781  -2.413  -5.475
  229    HA   ILE   3           HA       ILE  53 120.094  -0.201  -4.614
  230    HB   ILE   3           HB       ILE  53 122.321   0.812  -3.899
  231   1HG1  ILE   3          HG12      ILE  53 123.216  -2.028  -4.362
  232   2HG1  ILE   3          HG11      ILE  53 123.773  -0.585  -5.193
  233   1HG2  ILE   3          HG21      ILE  53 120.736  -1.254  -2.673
  234   2HG2  ILE   3          HG22      ILE  53 121.403   0.207  -1.995
  235   3HG2  ILE   3          HG23      ILE  53 122.384  -1.242  -2.061
  236   1HD1  ILE   3          HD11      ILE  53 125.433  -1.077  -3.631
  237   2HD1  ILE   3          HD12      ILE  53 124.245  -1.374  -2.359
  238   3HD1  ILE   3          HD13      ILE  53 124.512   0.258  -2.946
  239    HA   PRO   4           HA       PRO  54 121.497   2.466  -7.832
  240   1HB   PRO   4          HB2       PRO  54 120.608   4.824  -6.894
  241   2HB   PRO   4          HB1       PRO  54 119.471   3.547  -7.343
  242   1HG   PRO   4          HG2       PRO  54 120.278   4.487  -4.657
  243   2HG   PRO   4          HG1       PRO  54 118.778   3.699  -5.168
  244   1HD   PRO   4          HD2       PRO  54 121.068   2.499  -3.911
  245   2HD   PRO   4          HD1       PRO  54 119.573   1.703  -4.444
  246    H    GLU   5           HN       GLU  55 122.992   3.973  -8.401
  247    HA   GLU   5           HA       GLU  55 125.407   3.875  -7.086
  248   1HB   GLU   5          HB2       GLU  55 125.459   4.239  -9.400
  249   2HB   GLU   5          HB1       GLU  55 124.345   5.593  -9.313
  250   1HG   GLU   5          HG2       GLU  55 126.134   6.876  -9.525
  251   2HG   GLU   5          HG1       GLU  55 126.488   6.487  -7.850
  252    H    ALA   6           HN       ALA  56 126.639   5.261  -5.920
  253    HA   ALA   6           HA       ALA  56 125.246   7.233  -4.300
  254   1HB   ALA   6          HB1       ALA  56 128.139   6.794  -3.918
  255   2HB   ALA   6          HB2       ALA  56 127.097   5.394  -3.665
  256   3HB   ALA   6          HB3       ALA  56 126.835   6.868  -2.734
  257    HA   PRO   7           HA       PRO  57 126.833  11.008  -6.003
  258   1HB   PRO   7          HB2       PRO  57 128.213  11.770  -3.520
  259   2HB   PRO   7          HB1       PRO  57 126.841  12.536  -4.322
  260   1HG   PRO   7          HG2       PRO  57 126.581  11.171  -2.009
  261   2HG   PRO   7          HG1       PRO  57 125.301  11.219  -3.235
  262   1HD   PRO   7          HD2       PRO  57 127.254   9.048  -2.617
  263   2HD   PRO   7          HD1       PRO  57 125.547   8.929  -3.081
  264    H    ARG   8           HN       ARG  58 128.642  12.022  -6.918
  265    HA   ARG   8           HA       ARG  58 131.185  10.596  -6.546
  266   1HB   ARG   8          HB2       ARG  58 129.837  11.710  -8.905
  267   2HB   ARG   8          HB1       ARG  58 131.584  11.783  -8.876
  268   1HG   ARG   8          HG2       ARG  58 131.263   9.785  -9.926
  269   2HG   ARG   8          HG1       ARG  58 131.370   9.254  -8.250
  270   1HD   ARG   8          HD2       ARG  58 129.088   8.913  -8.075
  271   2HD   ARG   8          HD1       ARG  58 128.725   9.952  -9.453
  272    HE   ARG   8           HE       ARG  58 129.260   7.168  -9.517
  273   1HH1  ARG   8          HH11      ARG  58 129.771  10.103 -11.331
  274   2HH1  ARG   8          HH12      ARG  58 129.834   9.293 -12.860
  275   1HH2  ARG   8          HH21      ARG  58 129.336   6.103 -11.524
  276   2HH2  ARG   8          HH22      ARG  58 129.586   7.022 -12.970
  277    H    ASP   9           HN       ASP  59 130.809  12.498  -4.714
  278    HA   ASP   9           HA       ASP  59 132.241  14.882  -5.674
  279   1HB   ASP   9          HB2       ASP  59 131.678  15.854  -3.464
  280   2HB   ASP   9          HB1       ASP  59 130.252  15.383  -4.380
  281    H    GLY  10           HN       GLY  60 133.241  12.029  -4.939
  282   1HA   GLY  10          HA2       GLY  60 135.332  11.306  -4.276
  283   2HA   GLY  10          HA1       GLY  60 135.724  12.929  -3.759
  284    H    GLN  11           HN       GLN  61 132.763  11.703  -2.540
  285    HA   GLN  11           HA       GLN  61 134.065  11.314   0.029
  286   1HB   GLN  11          HB2       GLN  61 131.178  11.764  -0.507
  287   2HB   GLN  11          HB1       GLN  61 131.910  11.707   1.060
  288   1HG   GLN  11          HG2       GLN  61 132.789  13.716  -0.966
  289   2HG   GLN  11          HG1       GLN  61 131.385  13.975   0.035
  290   1HE2  GLN  11          HE21      GLN  61 134.656  12.819   0.479
  291   2HE2  GLN  11          HE22      GLN  61 135.015  13.771   1.866
  292    H    ALA  12           HN       ALA  62 133.631   9.463   1.293
  293    HA   ALA  12           HA       ALA  62 132.791   7.191  -0.317
  294   1HB   ALA  12          HB1       ALA  62 134.380   6.044   0.729
  295   2HB   ALA  12          HB2       ALA  62 133.768   6.523   2.315
  296   3HB   ALA  12          HB3       ALA  62 134.888   7.570   1.448
  297    H    TYR  13           HN       TYR  63 131.144   5.997  -0.053
  298    HA   TYR  13           HA       TYR  63 129.364   6.614   2.207
  299   1HB   TYR  13          HB2       TYR  63 128.733   6.003  -0.650
  300   2HB   TYR  13          HB1       TYR  63 127.576   5.963   0.599
  301    HD1  TYR  13           HD1      TYR  63 129.394   8.068  -1.584
  302    HD2  TYR  13           HD2      TYR  63 127.145   7.961   1.942
  303    HE1  TYR  13           HE1      TYR  63 129.148  10.519  -1.678
  304    HE2  TYR  13           HE2      TYR  63 126.884  10.363   1.906
  305    HH   TYR  13           HH       TYR  63 127.910  12.330   0.964
  306    H    VAL  14           HN       VAL  64 128.117   5.114   2.915
  307    HA   VAL  14           HA       VAL  64 128.910   2.303   2.594
  308    HB   VAL  14           HB       VAL  64 127.400   2.970   4.928
  309   1HG1  VAL  14          HG11      VAL  64 128.849   1.595   6.025
  310   2HG1  VAL  14          HG12      VAL  64 130.258   2.344   5.273
  311   3HG1  VAL  14          HG13      VAL  64 129.311   1.158   4.383
  312   1HG2  VAL  14          HG21      VAL  64 129.959   4.491   4.878
  313   2HG2  VAL  14          HG22      VAL  64 128.656   4.567   6.062
  314   3HG2  VAL  14          HG23      VAL  64 128.414   5.214   4.452
  315    H    ARG  15           HN       ARG  65 127.023   0.800   2.750
  316    HA   ARG  15           HA       ARG  65 124.656   2.208   1.731
  317   1HB   ARG  15          HB2       ARG  65 126.020   0.155   0.613
  318   2HB   ARG  15          HB1       ARG  65 124.848  -0.747   1.530
  319   1HG   ARG  15          HG2       ARG  65 124.598   0.497  -1.008
  320   2HG   ARG  15          HG1       ARG  65 123.438  -0.514  -0.170
  321   1HD   ARG  15          HD2       ARG  65 123.029   1.797   1.128
  322   2HD   ARG  15          HD1       ARG  65 123.620   2.427  -0.404
  323    HE   ARG  15           HE       ARG  65 121.290   0.624  -0.197
  324   1HH1  ARG  15          HH11      ARG  65 122.857   3.455  -1.520
  325   2HH1  ARG  15          HH12      ARG  65 121.504   3.900  -2.502
  326   1HH2  ARG  15          HH21      ARG  65 119.503   1.235  -1.523
  327   2HH2  ARG  15          HH22      ARG  65 119.614   2.660  -2.490
  328    H    LYS  16           HN       LYS  66 123.344   2.691   3.203
  329    HA   LYS  16           HA       LYS  66 122.466   0.727   5.179
  330   1HB   LYS  16          HB2       LYS  66 123.564   1.852   6.762
  331   2HB   LYS  16          HB1       LYS  66 123.948   3.148   5.671
  332   1HG   LYS  16          HG2       LYS  66 121.522   3.951   6.174
  333   2HG   LYS  16          HG1       LYS  66 121.670   2.887   7.579
  334   1HD   LYS  16          HD2       LYS  66 124.080   4.285   7.470
  335   2HD   LYS  16          HD1       LYS  66 122.839   5.488   7.122
  336   1HE   LYS  16          HE2       LYS  66 121.778   5.091   9.174
  337   2HE   LYS  16          HE1       LYS  66 122.675   3.612   9.452
  338   1HZ   LYS  16          HZ1       LYS  66 124.683   5.193   9.427
  339   2HZ   LYS  16          HZ2       LYS  66 123.723   5.122  10.811
  340   3HZ   LYS  16          HZ3       LYS  66 123.547   6.405   9.723
  341    H    ASP  17           HN       ASP  67 120.282   0.568   5.190
  342    HA   ASP  17           HA       ASP  67 118.089   1.090   4.783
  343   1HB   ASP  17          HB2       ASP  67 119.285   3.217   6.254
  344   2HB   ASP  17          HB1       ASP  67 118.099   3.878   5.155
  345    H    GLY  18           HN       GLY  68 119.483   0.939   2.401
  346   1HA   GLY  18          HA2       GLY  68 119.229   1.433   0.201
  347   2HA   GLY  18          HA1       GLY  68 117.733   2.218   0.645
  348    H    GLU  19           HN       GLU  69 120.599   3.613   2.098
  349    HA   GLU  19           HA       GLU  69 120.712   5.566  -0.072
  350   1HB   GLU  19          HB2       GLU  69 121.123   7.062   2.236
  351   2HB   GLU  19          HB1       GLU  69 119.706   7.074   1.210
  352   1HG   GLU  19          HG2       GLU  69 118.539   5.594   2.610
  353   2HG   GLU  19          HG1       GLU  69 120.003   5.165   3.491
  354    H    TRP  20           HN       TRP  70 122.624   6.955   0.004
  355    HA   TRP  20           HA       TRP  70 124.874   5.413   1.023
  356   1HB   TRP  20          HB2       TRP  70 124.837   7.579  -1.098
  357   2HB   TRP  20          HB1       TRP  70 126.286   6.868  -0.432
  358    HD1  TRP  20           HD1      TRP  70 123.895   6.227  -3.191
  359    HE1  TRP  20           HE1      TRP  70 124.245   3.826  -4.113
  360    HE3  TRP  20           HE3      TRP  70 126.863   4.353   0.512
  361    HZ2  TRP  20           HZ2      TRP  70 125.614   1.506  -3.343
  362    HZ3  TRP  20           HZ3      TRP  70 127.651   2.047   0.346
  363    HH2  TRP  20           HH2      TRP  70 127.017   0.642  -1.541
  364    H    VAL  21           HN       VAL  71 125.607   5.892   2.873
  365    HA   VAL  21           HA       VAL  71 125.549   8.697   3.780
  366    HB   VAL  21           HB       VAL  71 124.762   6.375   5.088
  367   1HG1  VAL  21          HG11      VAL  71 126.481   5.633   6.134
  368   2HG1  VAL  21          HG12      VAL  71 126.080   6.960   7.229
  369   3HG1  VAL  21          HG13      VAL  71 127.326   7.180   5.992
  370   1HG2  VAL  21          HG21      VAL  71 124.631   9.208   5.518
  371   2HG2  VAL  21          HG22      VAL  71 124.718   8.289   7.024
  372   3HG2  VAL  21          HG23      VAL  71 123.425   7.970   5.869
  373    H    LEU  22           HN       LEU  72 127.242   9.419   4.879
  374    HA   LEU  22           HA       LEU  72 129.654   8.740   3.684
  375   1HB   LEU  22          HB2       LEU  72 128.624  10.813   5.309
  376   2HB   LEU  22          HB1       LEU  72 130.269  10.408   5.782
  377    HG   LEU  22           HG       LEU  72 129.279  11.395   3.118
  378   1HD1  LEU  22          HD11      LEU  72 131.283  12.318   5.129
  379   2HD1  LEU  22          HD12      LEU  72 129.824  13.141   4.584
  380   3HD1  LEU  22          HD13      LEU  72 131.203  12.967   3.493
  381   1HD2  LEU  22          HD21      LEU  72 130.765  10.082   2.093
  382   2HD2  LEU  22          HD22      LEU  72 131.483   9.576   3.627
  383   3HD2  LEU  22          HD23      LEU  72 132.009  11.073   2.862
  384    H    LEU  23           HN       LEU  73 131.231   7.495   4.136
  385    HA   LEU  23           HA       LEU  73 131.233   5.575   6.182
  386   1HB   LEU  23          HB2       LEU  73 132.432   5.276   4.126
  387   2HB   LEU  23          HB1       LEU  73 133.409   6.683   4.424
  388    HG   LEU  23           HG       LEU  73 134.760   5.603   5.981
  389   1HD1  LEU  23          HD11      LEU  73 133.029   4.634   7.397
  390   2HD1  LEU  23          HD12      LEU  73 134.284   3.457   7.004
  391   3HD1  LEU  23          HD13      LEU  73 132.724   3.396   6.178
  392   1HD2  LEU  23          HD21      LEU  73 133.983   3.441   4.055
  393   2HD2  LEU  23          HD22      LEU  73 135.505   3.578   4.928
  394   3HD2  LEU  23          HD23      LEU  73 135.083   4.773   3.700
  395    H    SER  24           HN       SER  74 133.006   8.617   5.851
  396    HA   SER  24           HA       SER  74 134.611   8.364   8.150
  397   1HB   SER  24          HB2       SER  74 133.698  10.712   6.511
  398   2HB   SER  24          HB1       SER  74 134.694  10.929   7.950
  399    HG   SER  24           HG       SER  74 135.343   9.843   5.478
  400    H    THR  25           HN       THR  75 131.258   9.011   7.878
  401    HA   THR  25           HA       THR  75 131.002  10.505  10.294
  402    HB   THR  25           HB       THR  75 129.057   8.901   8.649
  403    HG1  THR  25           HG1      THR  75 129.631  11.614   9.051
  404   1HG2  THR  25          HG21      THR  75 127.522  10.487  10.297
  405   2HG2  THR  25          HG22      THR  75 128.683   9.739  11.391
  406   3HG2  THR  25          HG23      THR  75 127.666   8.731  10.361
  407    H    PHE  26           HN       PHE  76 131.655   7.290   9.470
  408    HA   PHE  26           HA       PHE  76 130.838   6.158  12.031
  409   1HB   PHE  26          HB2       PHE  76 131.768   4.929   9.451
  410   2HB   PHE  26          HB1       PHE  76 131.322   3.994  10.851
  411    HD1  PHE  26           HD1      PHE  76 130.066   6.566   8.557
  412    HD2  PHE  26           HD2      PHE  76 129.061   3.345  11.134
  413    HE1  PHE  26           HE1      PHE  76 127.768   6.689   7.805
  414    HE2  PHE  26           HE2      PHE  76 126.713   3.465  10.371
  415    HZ   PHE  26           HZ       PHE  76 126.038   5.157   8.685
  416    H    LEU  27           HN       LEU  77 133.581   7.548  10.727
  417    HA   LEU  27           HA       LEU  77 135.371   5.813  12.284
  418   1HB   LEU  27          HB2       LEU  77 136.097   7.905  10.238
  419   2HB   LEU  27          HB1       LEU  77 137.185   6.758  10.996
  420    HG   LEU  27           HG       LEU  77 134.872   5.809   9.329
  421   1HD1  LEU  27          HD11      LEU  77 135.866   6.333   7.410
  422   2HD1  LEU  27          HD12      LEU  77 137.437   5.810   7.995
  423   3HD1  LEU  27          HD13      LEU  77 136.873   7.443   8.338
  424   1HD2  LEU  27          HD21      LEU  77 137.574   4.600   9.850
  425   2HD2  LEU  27          HD22      LEU  77 136.155   3.822   9.152
  426   3HD2  LEU  27          HD23      LEU  77 136.162   4.284  10.857
  427   1H    GLY   1           HT1      GLY 101 123.429   5.883 -11.308
  428   2H    GLY   1           HT2      GLY 101 122.428   7.243 -11.211
  429   3H    GLY   1           HT3      GLY 101 122.563   6.395 -12.668
  430   1HA   GLY   1          HA1       GLY 101 120.669   6.031 -10.702
  431   2HA   GLY   1          HA2       GLY 101 120.925   5.035 -12.123
  432    H    TYR   2           HN       TYR 102 122.835   3.425 -11.845
  433    HA   TYR   2           HA       TYR 102 122.797   2.345  -9.116
  434   1HB   TYR   2          HB2       TYR 102 122.112   1.017 -11.662
  435   2HB   TYR   2          HB1       TYR 102 122.945   0.059 -10.453
  436    HD1  TYR   2           HD1      TYR 102 121.418  -1.368  -9.440
  437    HD2  TYR   2           HD2      TYR 102 120.240   2.640 -10.236
  438    HE1  TYR   2           HE1      TYR 102 119.262  -1.770  -8.326
  439    HE2  TYR   2           HE2      TYR 102 118.097   2.246  -9.113
  440    HH   TYR   2           HH       TYR 102 117.505  -0.204  -7.091
  441    H    ILE   3           HN       ILE 103 124.694   1.461  -8.359
  442    HA   ILE   3           HA       ILE 103 127.102   2.096  -9.861
  443    HB   ILE   3           HB       ILE 103 128.254   1.058  -7.834
  444   1HG1  ILE   3          HG12      ILE 103 125.468   1.391  -6.744
  445   2HG1  ILE   3          HG11      ILE 103 126.446  -0.065  -6.824
  446   1HG2  ILE   3          HG21      ILE 103 127.611   3.219  -6.462
  447   2HG2  ILE   3          HG22      ILE 103 126.909   3.655  -8.009
  448   3HG2  ILE   3          HG23      ILE 103 128.615   3.261  -7.912
  449   1HD1  ILE   3          HD11      ILE 103 126.647   0.515  -4.626
  450   2HD1  ILE   3          HD12      ILE 103 126.665   2.246  -4.983
  451   3HD1  ILE   3          HD13      ILE 103 128.081   1.257  -5.333
  452    HA   PRO   4           HA       PRO 104 127.866  -2.113 -10.734
  453   1HB   PRO   4          HB2       PRO 104 130.569  -1.904 -11.318
  454   2HB   PRO   4          HB1       PRO 104 129.290  -1.424 -12.434
  455   1HG   PRO   4          HG2       PRO 104 131.167   0.258 -11.026
  456   2HG   PRO   4          HG1       PRO 104 129.960   0.724 -12.232
  457   1HD   PRO   4          HD2       PRO 104 129.841   0.940  -9.299
  458   2HD   PRO   4          HD1       PRO 104 128.846   1.740 -10.536
  459    H    GLU   5           HN       GLU 105 128.597  -3.969  -9.969
  460    HA   GLU   5           HA       GLU 105 128.955  -4.167  -7.240
  461   1HB   GLU   5          HB2       GLU 105 128.059  -6.039  -8.332
  462   2HB   GLU   5          HB1       GLU 105 129.371  -6.107  -9.498
  463   1HG   GLU   5          HG2       GLU 105 130.357  -7.636  -8.261
  464   2HG   GLU   5          HG1       GLU 105 130.540  -6.473  -6.962
  465    H    ALA   6           HN       ALA 106 130.629  -4.603  -5.888
  466    HA   ALA   6           HA       ALA 106 133.270  -3.747  -6.730
  467   1HB   ALA   6          HB1       ALA 106 132.522  -4.665  -3.975
  468   2HB   ALA   6          HB2       ALA 106 132.079  -3.068  -4.572
  469   3HB   ALA   6          HB3       ALA 106 133.778  -3.525  -4.455
  470    HA   PRO   7           HA       PRO 107 135.412  -7.581  -7.342
  471   1HB   PRO   7          HB2       PRO 107 137.280  -6.604  -5.239
  472   2HB   PRO   7          HB1       PRO 107 137.623  -7.222  -6.859
  473   1HG   PRO   7          HG2       PRO 107 137.734  -4.616  -6.359
  474   2HG   PRO   7          HG1       PRO 107 137.063  -5.219  -7.886
  475   1HD   PRO   7          HD2       PRO 107 135.661  -4.106  -5.504
  476   2HD   PRO   7          HD1       PRO 107 135.239  -3.985  -7.224
  477    H    ARG   8           HN       ARG 108 135.869  -9.580  -6.408
  478    HA   ARG   8           HA       ARG 108 134.791  -9.989  -3.704
  479   1HB   ARG   8          HB2       ARG 108 134.574 -11.475  -6.207
  480   2HB   ARG   8          HB1       ARG 108 134.783 -12.456  -4.777
  481   1HG   ARG   8          HG2       ARG 108 132.694 -12.119  -4.101
  482   2HG   ARG   8          HG1       ARG 108 132.785 -10.385  -4.414
  483   1HD   ARG   8          HD2       ARG 108 131.075 -11.364  -5.785
  484   2HD   ARG   8          HD1       ARG 108 132.409 -10.825  -6.800
  485    HE   ARG   8           HE       ARG 108 132.881 -13.027  -7.330
  486   1HH1  ARG   8          HH11      ARG 108 130.451 -12.900  -4.824
  487   2HH1  ARG   8          HH12      ARG 108 130.026 -14.571  -4.981
  488   1HH2  ARG   8          HH21      ARG 108 132.324 -15.224  -7.532
  489   2HH2  ARG   8          HH22      ARG 108 131.089 -15.890  -6.516
  490    H    ASP   9           HN       ASP 109 137.212  -9.196  -3.491
  491    HA   ASP   9           HA       ASP 109 138.984 -11.540  -3.469
  492   1HB   ASP   9          HB2       ASP 109 140.805  -9.932  -3.097
  493   2HB   ASP   9          HB1       ASP 109 139.896  -9.539  -4.552
  494    H    GLY  10           HN       GLY 110 136.753 -10.706  -1.509
  495   1HA   GLY  10          HA2       GLY 110 136.433 -11.085   0.743
  496   2HA   GLY  10          HA1       GLY 110 138.111 -11.602   0.837
  497    H    GLN  11           HN       GLN 111 137.804  -8.507  -0.547
  498    HA   GLN  11           HA       GLN 111 138.505  -7.326   2.042
  499   1HB   GLN  11          HB2       GLN 111 139.091  -6.283  -0.690
  500   2HB   GLN  11          HB1       GLN 111 139.468  -5.480   0.802
  501   1HG   GLN  11          HG2       GLN 111 141.031  -7.183   1.400
  502   2HG   GLN  11          HG1       GLN 111 140.590  -8.132  -0.023
  503   1HE2  GLN  11          HE21      GLN 111 143.143  -7.673   0.122
  504   2HE2  GLN  11          HE22      GLN 111 143.668  -6.425  -0.942
  505    H    ALA  12           HN       ALA 112 137.585  -5.312   2.607
  506    HA   ALA  12           HA       ALA 112 134.896  -5.001   1.567
  507   1HB   ALA  12          HB1       ALA 112 134.613  -4.940   3.785
  508   2HB   ALA  12          HB2       ALA 112 135.074  -3.241   3.607
  509   3HB   ALA  12          HB3       ALA 112 136.274  -4.439   4.083
  510    H    TYR  13           HN       TYR 113 134.098  -3.400   0.594
  511    HA   TYR  13           HA       TYR 113 135.849  -1.130  -0.020
  512   1HB   TYR  13          HB2       TYR 113 133.751  -2.429  -1.744
  513   2HB   TYR  13          HB1       TYR 113 134.581  -0.983  -2.140
  514    HD1  TYR  13           HD1      TYR 113 134.621  -4.472  -2.469
  515    HD2  TYR  13           HD2      TYR 113 137.132  -1.080  -2.299
  516    HE1  TYR  13           HE1      TYR 113 136.414  -5.766  -3.547
  517    HE2  TYR  13           HE2      TYR 113 138.949  -2.344  -3.376
  518    HH   TYR  13           HH       TYR 113 138.887  -5.707  -3.708
  519    H    VAL  14           HN       VAL 114 134.831   0.771  -0.484
  520    HA   VAL  14           HA       VAL 114 132.150   1.135   0.621
  521    HB   VAL  14           HB       VAL 114 133.287   2.105   2.336
  522   1HG1  VAL  14          HG11      VAL 114 135.509   1.616   1.747
  523   2HG1  VAL  14          HG12      VAL 114 135.449   3.344   2.083
  524   3HG1  VAL  14          HG13      VAL 114 135.486   2.774   0.416
  525   1HG2  VAL  14          HG21      VAL 114 133.604   4.576   1.932
  526   2HG2  VAL  14          HG22      VAL 114 132.005   3.914   1.618
  527   3HG2  VAL  14          HG23      VAL 114 133.091   4.267   0.275
  528    H    ARG  15           HN       ARG 115 131.093   3.036  -0.296
  529    HA   ARG  15           HA       ARG 115 131.937   3.152  -3.105
  530   1HB   ARG  15          HB2       ARG 115 129.495   2.619  -1.881
  531   2HB   ARG  15          HB1       ARG 115 129.312   4.212  -2.487
  532   1HG   ARG  15          HG2       ARG 115 129.600   1.686  -3.957
  533   2HG   ARG  15          HG1       ARG 115 128.486   3.001  -4.234
  534   1HD   ARG  15          HD2       ARG 115 131.291   3.665  -4.706
  535   2HD   ARG  15          HD1       ARG 115 130.638   2.389  -5.725
  536    HE   ARG  15           HE       ARG 115 129.104   3.915  -6.621
  537   1HH1  ARG  15          HH11      ARG 115 131.318   5.443  -4.477
  538   2HH1  ARG  15          HH12      ARG 115 130.766   7.041  -4.815
  539   1HH2  ARG  15          HH21      ARG 115 128.324   6.021  -7.069
  540   2HH2  ARG  15          HH22      ARG 115 129.080   7.371  -6.296
  541    H    LYS  16           HN       LYS 116 133.115   4.727  -3.558
  542    HA   LYS  16           HA       LYS 116 132.343   7.457  -2.904
  543   1HB   LYS  16          HB2       LYS 116 134.003   7.454  -1.394
  544   2HB   LYS  16          HB1       LYS 116 134.792   6.075  -2.100
  545   1HG   LYS  16          HG2       LYS 116 136.179   7.366  -3.335
  546   2HG   LYS  16          HG1       LYS 116 134.966   8.638  -3.558
  547   1HD   LYS  16          HD2       LYS 116 135.465   9.649  -1.572
  548   2HD   LYS  16          HD1       LYS 116 135.934   8.147  -0.792
  549   1HE   LYS  16          HE2       LYS 116 137.628   9.144  -2.981
  550   2HE   LYS  16          HE1       LYS 116 137.697  10.013  -1.461
  551   1HZ   LYS  16          HZ1       LYS 116 138.332   8.014  -0.343
  552   2HZ   LYS  16          HZ2       LYS 116 139.356   8.202  -1.676
  553   3HZ   LYS  16          HZ3       LYS 116 138.091   7.082  -1.735
  554    H    ASP  17           HN       ASP 117 132.486   8.801  -4.659
  555    HA   ASP  17           HA       ASP 117 132.637   9.379  -6.847
  556   1HB   ASP  17          HB2       ASP 117 135.156   8.837  -7.662
  557   2HB   ASP  17          HB1       ASP 117 134.722  10.211  -6.676
  558    H    GLY  18           HN       GLY 118 131.331   7.024  -6.778
  559   1HA   GLY  18          HA2       GLY 118 130.637   5.326  -8.129
  560   2HA   GLY  18          HA1       GLY 118 131.562   6.102  -9.397
  561    H    GLU  19           HN       GLU 119 133.427   5.083  -6.645
  562    HA   GLU  19           HA       GLU 119 134.134   2.635  -8.074
  563   1HB   GLU  19          HB2       GLU 119 136.031   4.604  -6.803
  564   2HB   GLU  19          HB1       GLU 119 136.465   3.124  -7.623
  565   1HG   GLU  19          HG2       GLU 119 135.893   3.968  -9.725
  566   2HG   GLU  19          HG1       GLU 119 134.954   5.285  -9.024
  567    H    TRP  20           HN       TRP 120 135.228   1.040  -6.771
  568    HA   TRP  20           HA       TRP 120 134.205   1.108  -4.050
  569   1HB   TRP  20          HB2       TRP 120 135.292  -1.211  -5.671
  570   2HB   TRP  20          HB1       TRP 120 134.797  -1.309  -3.992
  571    HD1  TRP  20           HD1      TRP 120 133.310  -1.718  -7.340
  572    HE1  TRP  20           HE1      TRP 120 130.725  -1.610  -7.165
  573    HE3  TRP  20           HE3      TRP 120 132.879   0.117  -2.600
  574    HZ2  TRP  20           HZ2      TRP 120 128.823  -0.856  -5.277
  575    HZ3  TRP  20           HZ3      TRP 120 130.656   0.489  -1.686
  576    HH2  TRP  20           HH2      TRP 120 128.664   0.030  -3.020
  577    H    VAL  21           HN       VAL 121 135.428   1.976  -2.621
  578    HA   VAL  21           HA       VAL 121 138.337   1.611  -2.826
  579    HB   VAL  21           HB       VAL 121 137.005   3.476  -0.902
  580   1HG1  VAL  21          HG11      VAL 121 139.760   3.174  -2.034
  581   2HG1  VAL  21          HG12      VAL 121 139.242   3.093  -0.350
  582   3HG1  VAL  21          HG13      VAL 121 139.245   4.639  -1.199
  583   1HG2  VAL  21          HG21      VAL 121 136.307   4.084  -3.244
  584   2HG2  VAL  21          HG22      VAL 121 138.014   4.352  -3.599
  585   3HG2  VAL  21          HG23      VAL 121 137.203   5.330  -2.376
  586    H    LEU  22           HN       LEU 122 139.412   0.644  -1.397
  587    HA   LEU  22           HA       LEU 122 138.378  -1.291   0.240
  588   1HB   LEU  22          HB2       LEU 122 140.924   0.091  -0.156
  589   2HB   LEU  22          HB1       LEU 122 140.753  -0.674   1.416
  590    HG   LEU  22           HG       LEU 122 140.656  -1.999  -1.291
  591   1HD1  LEU  22          HD11      LEU 122 142.607  -1.834   0.927
  592   2HD1  LEU  22          HD12      LEU 122 142.870  -1.961  -0.813
  593   3HD1  LEU  22          HD13      LEU 122 142.427  -3.394   0.119
  594   1HD2  LEU  22          HD21      LEU 122 139.716  -2.932   1.367
  595   2HD2  LEU  22          HD22      LEU 122 140.546  -4.075   0.305
  596   3HD2  LEU  22          HD23      LEU 122 139.068  -3.260  -0.247
  597    H    LEU  23           HN       LEU 123 137.283  -1.236   2.055
  598    HA   LEU  23           HA       LEU 123 136.548   1.086   3.428
  599   1HB   LEU  23          HB2       LEU 123 135.352  -1.066   3.509
  600   2HB   LEU  23          HB1       LEU 123 136.672  -1.778   4.391
  601    HG   LEU  23           HG       LEU 123 136.092  -0.796   6.380
  602   1HD1  LEU  23          HD11      LEU 123 136.147   1.537   5.489
  603   2HD1  LEU  23          HD12      LEU 123 134.907   1.233   6.707
  604   3HD1  LEU  23          HD13      LEU 123 134.466   1.326   5.000
  605   1HD2  LEU  23          HD21      LEU 123 133.849  -1.238   6.755
  606   2HD2  LEU  23          HD22      LEU 123 134.225  -2.215   5.335
  607   3HD2  LEU  23          HD23      LEU 123 133.372  -0.682   5.153
  608    H    SER  24           HN       SER 124 139.087  -1.280   4.019
  609    HA   SER  24           HA       SER 124 139.917  -0.298   6.527
  610   1HB   SER  24          HB2       SER 124 140.581  -2.507   5.784
  611   2HB   SER  24          HB1       SER 124 141.446  -1.823   4.409
  612    HG   SER  24           HG       SER 124 142.453  -2.343   6.727
  613    H    THR  25           HN       THR 125 140.283   1.003   3.361
  614    HA   THR  25           HA       THR 125 142.691   2.436   3.876
  615    HB   THR  25           HB       THR 125 140.517   2.741   1.824
  616    HG1  THR  25           HG1      THR 125 141.885   1.227   1.178
  617   1HG2  THR  25          HG21      THR 125 142.556   4.731   2.531
  618   2HG2  THR  25          HG22      THR 125 141.025   4.915   1.675
  619   3HG2  THR  25          HG23      THR 125 142.445   4.310   0.822
  620    H    PHE  26           HN       PHE 126 139.427   2.696   4.823
  621    HA   PHE  26           HA       PHE 126 139.632   5.492   5.616
  622   1HB   PHE  26          HB2       PHE 126 137.314   3.571   5.463
  623   2HB   PHE  26          HB1       PHE 126 137.171   5.166   6.174
  624    HD1  PHE  26           HD1      PHE 126 137.494   3.262   3.099
  625    HD2  PHE  26           HD2      PHE 126 137.433   7.191   4.724
  626    HE1  PHE  26           HE1      PHE 126 137.239   4.171   0.849
  627    HE2  PHE  26           HE2      PHE 126 137.163   8.127   2.461
  628    HZ   PHE  26           HZ       PHE 126 137.078   6.638   0.487
  629    H    LEU  27           HN       LEU 127 140.526   2.630   6.874
  630    HA   LEU  27           HA       LEU 127 139.780   3.372   9.622
  631   1HB   LEU  27          HB2       LEU 127 140.665   0.728   8.478
  632   2HB   LEU  27          HB1       LEU 127 140.379   1.025  10.179
  633    HG   LEU  27           HG       LEU 127 138.540   0.112   8.274
  634   1HD1  LEU  27          HD11      LEU 127 137.836  -0.643  10.188
  635   2HD1  LEU  27          HD12      LEU 127 137.105   0.929  10.503
  636   3HD1  LEU  27          HD13      LEU 127 138.729   0.571  11.092
  637   1HD2  LEU  27          HD21      LEU 127 138.047   2.966   8.994
  638   2HD2  LEU  27          HD22      LEU 127 136.717   1.837   8.738
  639   3HD2  LEU  27          HD23      LEU 127 137.868   2.159   7.439
  Start of MODEL   10
    1   1H    GLY   1           HT1      GLY   1 128.855  -4.685 -15.229
    2   2H    GLY   1           HT2      GLY   1 129.277  -5.916 -14.150
    3   3H    GLY   1           HT3      GLY   1 129.420  -4.297 -13.682
    4   1HA   GLY   1          HA1       GLY   1 126.822  -4.444 -14.396
    5   2HA   GLY   1          HA2       GLY   1 127.114  -6.027 -13.680
    6    H    TYR   2           HN       TYR   2 125.336  -4.626 -12.275
    7    HA   TYR   2           HA       TYR   2 126.748  -3.091 -10.237
    8   1HB   TYR   2          HB2       TYR   2 123.819  -3.544 -10.436
    9   2HB   TYR   2          HB1       TYR   2 124.624  -2.322  -9.494
   10    HD1  TYR   2           HD1      TYR   2 122.518  -2.602 -12.056
   11    HD2  TYR   2           HD2      TYR   2 126.359  -0.968 -11.317
   12    HE1  TYR   2           HE1      TYR   2 122.179  -0.992 -13.879
   13    HE2  TYR   2           HE2      TYR   2 126.045   0.645 -13.138
   14    HH   TYR   2           HH       TYR   2 124.752   1.160 -14.943
   15    H    ILE   3           HN       ILE   3 125.692  -3.338  -8.003
   16    HA   ILE   3           HA       ILE   3 125.855  -6.169  -7.188
   17    HB   ILE   3           HB       ILE   3 125.871  -4.975  -4.852
   18   1HG1  ILE   3          HG12      ILE   3 127.029  -2.882  -6.690
   19   2HG1  ILE   3          HG11      ILE   3 125.618  -2.741  -5.655
   20   1HG2  ILE   3          HG21      ILE   3 127.680  -6.270  -5.071
   21   2HG2  ILE   3          HG22      ILE   3 128.505  -4.730  -5.311
   22   3HG2  ILE   3          HG23      ILE   3 128.027  -5.705  -6.696
   23   1HD1  ILE   3          HD11      ILE   3 128.492  -2.771  -4.905
   24   2HD1  ILE   3          HD12      ILE   3 127.253  -3.228  -3.740
   25   3HD1  ILE   3          HD13      ILE   3 127.229  -1.621  -4.465
   26    HA   PRO   4           HA       PRO   4 121.710  -5.843  -5.698
   27   1HB   PRO   4          HB2       PRO   4 121.808  -7.837  -3.767
   28   2HB   PRO   4          HB1       PRO   4 121.561  -8.128  -5.489
   29   1HG   PRO   4          HG2       PRO   4 123.853  -8.785  -3.880
   30   2HG   PRO   4          HG1       PRO   4 123.576  -9.138  -5.590
   31   1HD   PRO   4          HD2       PRO   4 125.212  -7.028  -4.367
   32   2HD   PRO   4          HD1       PRO   4 125.216  -7.637  -6.035
   33    H    GLU   5           HN       GLU   5 120.494  -4.956  -4.262
   34    HA   GLU   5           HA       GLU   5 121.469  -2.991  -2.608
   35   1HB   GLU   5          HB2       GLU   5 119.286  -2.847  -3.547
   36   2HB   GLU   5          HB1       GLU   5 118.787  -4.354  -2.804
   37   1HG   GLU   5          HG2       GLU   5 118.539  -3.378  -0.705
   38   2HG   GLU   5          HG1       GLU   5 119.517  -1.978  -1.138
   39    H    ALA   6           HN       ALA   6 121.727  -2.658  -0.504
   40    HA   ALA   6           HA       ALA   6 122.060  -4.984   1.207
   41   1HB   ALA   6          HB1       ALA   6 123.456  -2.591   0.966
   42   2HB   ALA   6          HB2       ALA   6 123.651  -3.792   2.245
   43   3HB   ALA   6          HB3       ALA   6 122.568  -2.421   2.481
   44    HA   PRO   7           HA       PRO   7 118.372  -4.721   3.621
   45   1HB   PRO   7          HB2       PRO   7 120.108  -4.471   6.022
   46   2HB   PRO   7          HB1       PRO   7 118.825  -5.635   5.675
   47   1HG   PRO   7          HG2       PRO   7 121.379  -6.362   5.541
   48   2HG   PRO   7          HG1       PRO   7 120.202  -6.958   4.355
   49   1HD   PRO   7          HD2       PRO   7 122.282  -4.834   4.062
   50   2HD   PRO   7          HD1       PRO   7 121.736  -6.048   2.888
   51    H    ARG   8           HN       ARG   8 117.042  -3.233   4.686
   52    HA   ARG   8           HA       ARG   8 118.225  -0.585   5.075
   53   1HB   ARG   8          HB2       ARG   8 115.440  -1.286   4.284
   54   2HB   ARG   8          HB1       ARG   8 116.005   0.337   4.614
   55   1HG   ARG   8          HG2       ARG   8 117.780  -0.217   2.792
   56   2HG   ARG   8          HG1       ARG   8 116.618  -1.450   2.316
   57   1HD   ARG   8          HD2       ARG   8 115.629   1.313   2.763
   58   2HD   ARG   8          HD1       ARG   8 116.564   0.990   1.303
   59    HE   ARG   8           HE       ARG   8 114.682  -0.986   1.362
   60   1HH1  ARG   8          HH11      ARG   8 114.585   2.503   1.420
   61   2HH1  ARG   8          HH12      ARG   8 113.055   2.599   0.613
   62   1HH2  ARG   8          HH21      ARG   8 112.670  -0.860   0.298
   63   2HH2  ARG   8          HH22      ARG   8 111.968   0.691  -0.023
   64    H    ASP   9           HN       ASP   9 118.631  -1.905   7.211
   65    HA   ASP   9           HA       ASP   9 116.417  -1.346   9.092
   66   1HB   ASP   9          HB2       ASP   9 118.727  -3.286   9.274
   67   2HB   ASP   9          HB1       ASP   9 117.717  -2.859  10.652
   68    H    GLY  10           HN       GLY  10 118.675   0.425   7.968
   69   1HA   GLY  10          HA2       GLY  10 119.682   2.303   8.889
   70   2HA   GLY  10          HA1       GLY  10 119.182   1.757  10.480
   71    H    GLN  11           HN       GLN  11 120.880  -0.598   8.639
   72    HA   GLN  11           HA       GLN  11 123.255   0.002  10.231
   73   1HB   GLN  11          HB2       GLN  11 122.386  -2.565   9.001
   74   2HB   GLN  11          HB1       GLN  11 123.908  -2.380   9.802
   75   1HG   GLN  11          HG2       GLN  11 122.101  -1.521  11.685
   76   2HG   GLN  11          HG1       GLN  11 121.257  -2.846  10.896
   77   1HE2  GLN  11          HE21      GLN  11 121.966  -4.887  11.154
   78   2HE2  GLN  11          HE22      GLN  11 123.189  -5.354  12.278
   79    H    ALA  12           HN       ALA  12 125.216   0.175   9.268
   80    HA   ALA  12           HA       ALA  12 125.126   0.741   6.431
   81   1HB   ALA  12          HB1       ALA  12 126.660   2.310   6.812
   82   2HB   ALA  12          HB2       ALA  12 127.667   1.220   7.766
   83   3HB   ALA  12          HB3       ALA  12 126.309   2.053   8.521
   84    H    TYR  13           HN       TYR  13 126.091  -0.235   4.911
   85    HA   TYR  13           HA       TYR  13 127.690  -2.591   5.606
   86   1HB   TYR  13          HB2       TYR  13 125.663  -2.167   3.456
   87   2HB   TYR  13          HB1       TYR  13 126.802  -3.437   3.379
   88    HD1  TYR  13           HD1      TYR  13 123.699  -2.474   4.698
   89    HD2  TYR  13           HD2      TYR  13 127.015  -4.953   5.427
   90    HE1  TYR  13           HE1      TYR  13 122.363  -3.767   6.316
   91    HE2  TYR  13           HE2      TYR  13 125.743  -6.235   7.092
   92    HH   TYR  13           HH       TYR  13 122.795  -6.551   7.247
   93    H    VAL  14           HN       VAL  14 129.226  -3.191   4.248
   94    HA   VAL  14           HA       VAL  14 130.461  -1.160   2.506
   95    HB   VAL  14           HB       VAL  14 132.014  -3.323   3.765
   96   1HG1  VAL  14          HG11      VAL  14 133.049  -1.434   2.476
   97   2HG1  VAL  14          HG12      VAL  14 133.748  -1.754   4.049
   98   3HG1  VAL  14          HG13      VAL  14 132.644  -0.393   3.838
   99   1HG2  VAL  14          HG21      VAL  14 131.938  -2.625   5.977
  100   2HG2  VAL  14          HG22      VAL  14 130.269  -2.521   5.452
  101   3HG2  VAL  14          HG23      VAL  14 131.242  -1.066   5.551
  102    H    ARG  15           HN       ARG  15 131.302  -2.046   0.569
  103    HA   ARG  15           HA       ARG  15 129.994  -4.563  -0.026
  104   1HB   ARG  15          HB2       ARG  15 130.172  -2.213  -1.394
  105   2HB   ARG  15          HB1       ARG  15 131.379  -3.138  -2.190
  106   1HG   ARG  15          HG2       ARG  15 128.532  -3.203  -2.460
  107   2HG   ARG  15          HG1       ARG  15 129.755  -3.835  -3.537
  108   1HD   ARG  15          HD2       ARG  15 129.519  -5.591  -1.308
  109   2HD   ARG  15          HD1       ARG  15 127.917  -5.224  -1.922
  110    HE   ARG  15           HE       ARG  15 128.412  -6.518  -3.722
  111   1HH1  ARG  15          HH11      ARG  15 131.390  -5.651  -2.175
  112   2HH1  ARG  15          HH12      ARG  15 132.392  -6.402  -3.364
  113   1HH2  ARG  15          HH21      ARG  15 129.733  -7.484  -5.336
  114   2HH2  ARG  15          HH22      ARG  15 131.454  -7.441  -5.155
  115    H    LYS  16           HN       LYS  16 131.026  -6.285   0.400
  116    HA   LYS  16           HA       LYS  16 133.762  -6.670  -0.531
  117   1HB   LYS  16          HB2       LYS  16 134.557  -6.552   1.538
  118   2HB   LYS  16          HB1       LYS  16 132.964  -6.456   2.222
  119   1HG   LYS  16          HG2       LYS  16 132.995  -9.055   1.931
  120   2HG   LYS  16          HG1       LYS  16 134.744  -8.821   1.831
  121   1HD   LYS  16          HD2       LYS  16 133.966  -7.230   3.961
  122   2HD   LYS  16          HD1       LYS  16 132.987  -8.687   4.138
  123   1HE   LYS  16          HE2       LYS  16 134.972 -10.040   4.161
  124   2HE   LYS  16          HE1       LYS  16 135.974  -8.634   3.832
  125   1HZ   LYS  16          HZ1       LYS  16 136.146  -8.393   6.015
  126   2HZ   LYS  16          HZ2       LYS  16 134.988  -9.587   6.317
  127   3HZ   LYS  16          HZ3       LYS  16 134.504  -7.987   6.063
  128    H    ASP  17           HN       ASP  17 133.915  -8.542  -1.698
  129    HA   ASP  17           HA       ASP  17 133.409 -10.652  -2.500
  130   1HB   ASP  17          HB2       ASP  17 133.498 -10.835   0.261
  131   2HB   ASP  17          HB1       ASP  17 132.008 -11.632  -0.195
  132    H    GLY  18           HN       GLY  18 131.530  -8.787  -3.317
  133   1HA   GLY  18          HA2       GLY  18 129.422  -8.723  -4.250
  134   2HA   GLY  18          HA1       GLY  18 129.421 -10.462  -4.087
  135    H    GLU  19           HN       GLU  19 129.780  -8.788  -1.060
  136    HA   GLU  19           HA       GLU  19 126.895  -8.949  -0.655
  137   1HB   GLU  19          HB2       GLU  19 129.058 -10.369   0.821
  138   2HB   GLU  19          HB1       GLU  19 127.609  -9.902   1.671
  139   1HG   GLU  19          HG2       GLU  19 126.641 -11.094  -0.610
  140   2HG   GLU  19          HG1       GLU  19 128.049 -12.071  -0.198
  141    H    TRP  20           HN       TRP  20 126.207  -7.973   1.363
  142    HA   TRP  20           HA       TRP  20 127.683  -5.521   1.821
  143   1HB   TRP  20          HB2       TRP  20 124.845  -6.291   2.519
  144   2HB   TRP  20          HB1       TRP  20 125.603  -4.787   2.996
  145    HD1  TRP  20           HD1      TRP  20 123.596  -6.067   0.205
  146    HE1  TRP  20           HE1      TRP  20 123.874  -4.540  -1.871
  147    HE3  TRP  20           HE3      TRP  20 127.642  -3.352   1.710
  148    HZ2  TRP  20           HZ2      TRP  20 125.577  -2.484  -2.713
  149    HZ3  TRP  20           HZ3      TRP  20 128.509  -1.624   0.237
  150    HH2  TRP  20           HH2      TRP  20 127.513  -1.213  -1.948
  151    H    VAL  21           HN       VAL  21 129.019  -5.398   3.360
  152    HA   VAL  21           HA       VAL  21 128.733  -7.136   5.698
  153    HB   VAL  21           HB       VAL  21 131.062  -7.145   5.903
  154   1HG1  VAL  21          HG11      VAL  21 130.314  -6.932   3.015
  155   2HG1  VAL  21          HG12      VAL  21 130.667  -8.376   3.969
  156   3HG1  VAL  21          HG13      VAL  21 131.958  -7.254   3.545
  157   1HG2  VAL  21          HG21      VAL  21 131.165  -4.712   4.135
  158   2HG2  VAL  21          HG22      VAL  21 132.552  -5.511   4.863
  159   3HG2  VAL  21          HG23      VAL  21 131.359  -4.698   5.883
  160    H    LEU  22           HN       LEU  22 128.334  -6.345   7.559
  161    HA   LEU  22           HA       LEU  22 127.559  -3.752   8.002
  162   1HB   LEU  22          HB2       LEU  22 127.761  -6.127   9.404
  163   2HB   LEU  22          HB1       LEU  22 128.770  -5.030  10.316
  164    HG   LEU  22           HG       LEU  22 126.271  -5.333  10.961
  165   1HD1  LEU  22          HD11      LEU  22 126.082  -2.977  11.661
  166   2HD1  LEU  22          HD12      LEU  22 127.457  -2.578  10.629
  167   3HD1  LEU  22          HD13      LEU  22 127.676  -3.643  12.018
  168   1HD2  LEU  22          HD21      LEU  22 124.664  -4.437   9.739
  169   2HD2  LEU  22          HD22      LEU  22 125.831  -4.549   8.429
  170   3HD2  LEU  22          HD23      LEU  22 125.643  -3.036   9.306
  171    H    LEU  23           HN       LEU  23 128.634  -1.932   8.075
  172    HA   LEU  23           HA       LEU  23 131.404  -1.693   7.781
  173   1HB   LEU  23          HB2       LEU  23 129.921   0.071   7.179
  174   2HB   LEU  23          HB1       LEU  23 129.256   0.165   8.781
  175    HG   LEU  23           HG       LEU  23 131.242   1.166   9.664
  176   1HD1  LEU  23          HD11      LEU  23 133.051   1.880   8.039
  177   2HD1  LEU  23          HD12      LEU  23 132.439   0.596   6.982
  178   3HD1  LEU  23          HD13      LEU  23 133.059   0.199   8.587
  179   1HD2  LEU  23          HD21      LEU  23 131.102   2.772   7.235
  180   2HD2  LEU  23          HD22      LEU  23 130.806   3.185   8.904
  181   3HD2  LEU  23          HD23      LEU  23 129.544   2.403   7.976
  182    H    SER  24           HN       SER  24 129.341  -1.411  10.636
  183    HA   SER  24           HA       SER  24 131.128  -0.623  12.545
  184   1HB   SER  24          HB2       SER  24 129.085  -2.786  13.045
  185   2HB   SER  24          HB1       SER  24 129.659  -1.561  14.163
  186    HG   SER  24           HG       SER  24 127.761  -1.376  12.177
  187    H    THR  25           HN       THR  25 131.010  -3.725  10.929
  188    HA   THR  25           HA       THR  25 132.522  -5.157  12.856
  189    HB   THR  25           HB       THR  25 131.903  -5.587   9.960
  190    HG1  THR  25           HG1      THR  25 131.149  -7.603  10.974
  191   1HG2  THR  25          HG21      THR  25 133.140  -7.612   9.836
  192   2HG2  THR  25          HG22      THR  25 133.702  -7.442  11.499
  193   3HG2  THR  25          HG23      THR  25 134.268  -6.324  10.257
  194    H    PHE  26           HN       PHE  26 133.264  -2.740  10.582
  195    HA   PHE  26           HA       PHE  26 136.117  -3.297  10.589
  196   1HB   PHE  26          HB2       PHE  26 134.444  -1.393   8.976
  197   2HB   PHE  26          HB1       PHE  26 136.191  -1.492   8.858
  198    HD1  PHE  26           HD1      PHE  26 133.068  -3.483   8.412
  199    HD2  PHE  26           HD2      PHE  26 137.225  -3.155   7.531
  200    HE1  PHE  26           HE1      PHE  26 132.881  -5.377   6.823
  201    HE2  PHE  26           HE2      PHE  26 137.038  -5.031   5.951
  202    HZ   PHE  26           HZ       PHE  26 134.866  -6.149   5.596
  203    H    LEU  27           HN       LEU  27 133.958  -1.594  12.471
  204    HA   LEU  27           HA       LEU  27 136.013   0.418  13.059
  205   1HB   LEU  27          HB2       LEU  27 133.157   0.529  13.956
  206   2HB   LEU  27          HB1       LEU  27 134.346   1.813  13.979
  207    HG   LEU  27           HG       LEU  27 132.601   0.894  11.787
  208   1HD1  LEU  27          HD11      LEU  27 132.004   2.989  12.202
  209   2HD1  LEU  27          HD12      LEU  27 133.467   3.446  11.303
  210   3HD1  LEU  27          HD13      LEU  27 133.501   3.327  13.071
  211   1HD2  LEU  27          HD21      LEU  27 134.487   2.273  10.378
  212   2HD2  LEU  27          HD22      LEU  27 134.218   0.526  10.293
  213   3HD2  LEU  27          HD23      LEU  27 135.471   1.175  11.353
  214   1H    GLY   1           HT1      GLY  51 116.317  -5.778  -6.714
  215   2H    GLY   1           HT2      GLY  51 115.539  -7.032  -5.889
  216   3H    GLY   1           HT3      GLY  51 116.955  -7.344  -6.760
  217   1HA   GLY   1          HA1       GLY  51 116.712  -5.699  -4.302
  218   2HA   GLY   1          HA2       GLY  51 117.470  -7.279  -4.429
  219    H    TYR   2           HN       TYR  52 117.675  -4.188  -6.218
  220    HA   TYR   2           HA       TYR  52 120.587  -4.284  -5.827
  221   1HB   TYR   2          HB2       TYR  52 119.058  -4.159  -8.325
  222   2HB   TYR   2          HB1       TYR  52 120.399  -3.029  -8.223
  223    HD1  TYR   2           HD1      TYR  52 122.176  -3.807  -9.439
  224    HD2  TYR   2           HD2      TYR  52 119.953  -6.580  -7.107
  225    HE1  TYR   2           HE1      TYR  52 123.738  -5.590 -10.075
  226    HE2  TYR   2           HE2      TYR  52 121.521  -8.368  -7.725
  227    HH   TYR   2           HH       TYR  52 124.312  -8.134  -8.628
  228    H    ILE   3           HN       ILE  53 121.563  -2.381  -5.220
  229    HA   ILE   3           HA       ILE  53 119.819  -0.134  -4.587
  230    HB   ILE   3           HB       ILE  53 121.959   0.905  -3.694
  231   1HG1  ILE   3          HG12      ILE  53 122.987  -1.904  -4.051
  232   2HG1  ILE   3          HG11      ILE  53 123.500  -0.500  -4.971
  233   1HG2  ILE   3          HG21      ILE  53 120.435  -1.304  -2.585
  234   2HG2  ILE   3          HG22      ILE  53 120.851   0.254  -1.883
  235   3HG2  ILE   3          HG23      ILE  53 122.012  -1.074  -1.837
  236   1HD1  ILE   3          HD11      ILE  53 125.162  -0.669  -3.409
  237   2HD1  ILE   3          HD12      ILE  53 124.061  -1.207  -2.142
  238   3HD1  ILE   3          HD13      ILE  53 124.072   0.484  -2.641
  239    HA   PRO   4           HA       PRO  54 121.286   2.412  -7.923
  240   1HB   PRO   4          HB2       PRO  54 120.407   4.809  -7.074
  241   2HB   PRO   4          HB1       PRO  54 119.267   3.529  -7.508
  242   1HG   PRO   4          HG2       PRO  54 120.080   4.506  -4.824
  243   2HG   PRO   4          HG1       PRO  54 118.533   3.826  -5.353
  244   1HD   PRO   4          HD2       PRO  54 120.619   2.467  -3.988
  245   2HD   PRO   4          HD1       PRO  54 119.165   1.748  -4.697
  246    H    GLU   5           HN       GLU  55 122.770   3.915  -8.519
  247    HA   GLU   5           HA       GLU  55 125.199   3.843  -7.251
  248   1HB   GLU   5          HB2       GLU  55 125.007   4.142  -9.617
  249   2HB   GLU   5          HB1       GLU  55 124.164   5.667  -9.414
  250   1HG   GLU   5          HG2       GLU  55 126.053   6.823  -9.124
  251   2HG   GLU   5          HG1       GLU  55 126.830   5.543  -8.195
  252    H    ALA   6           HN       ALA  56 126.478   5.223  -6.173
  253    HA   ALA   6           HA       ALA  56 125.200   7.295  -4.587
  254   1HB   ALA   6          HB1       ALA  56 126.718   6.752  -3.042
  255   2HB   ALA   6          HB2       ALA  56 128.050   6.995  -4.169
  256   3HB   ALA   6          HB3       ALA  56 127.219   5.440  -4.108
  257    HA   PRO   7           HA       PRO  57 126.632  10.941  -6.708
  258   1HB   PRO   7          HB2       PRO  57 127.753  12.334  -4.623
  259   2HB   PRO   7          HB1       PRO  57 126.027  12.279  -4.989
  260   1HG   PRO   7          HG2       PRO  57 127.588  10.717  -2.976
  261   2HG   PRO   7          HG1       PRO  57 125.985  11.461  -2.822
  262   1HD   PRO   7          HD2       PRO  57 126.258   8.833  -3.222
  263   2HD   PRO   7          HD1       PRO  57 124.942   9.745  -3.990
  264    H    ARG   8           HN       ARG  58 128.488  12.048  -7.439
  265    HA   ARG   8           HA       ARG  58 131.028  10.667  -6.917
  266   1HB   ARG   8          HB2       ARG  58 129.944  11.977  -9.341
  267   2HB   ARG   8          HB1       ARG  58 131.647  11.649  -9.190
  268   1HG   ARG   8          HG2       ARG  58 131.069   9.761 -10.262
  269   2HG   ARG   8          HG1       ARG  58 130.689   9.225  -8.624
  270   1HD   ARG   8          HD2       ARG  58 128.866   8.696 -10.138
  271   2HD   ARG   8          HD1       ARG  58 128.364   9.897  -8.950
  272    HE   ARG   8           HE       ARG  58 127.978  11.352 -10.659
  273   1HH1  ARG   8          HH11      ARG  58 130.132   8.861 -11.817
  274   2HH1  ARG   8          HH12      ARG  58 130.094   9.417 -13.456
  275   1HH2  ARG   8          HH21      ARG  58 127.926  12.082 -12.814
  276   2HH2  ARG   8          HH22      ARG  58 128.842  11.246 -14.023
  277    H    ASP   9           HN       ASP  59 131.200  12.129  -5.055
  278    HA   ASP   9           HA       ASP  59 132.261  14.786  -5.825
  279   1HB   ASP   9          HB2       ASP  59 130.124  14.366  -4.169
  280   2HB   ASP   9          HB1       ASP  59 131.456  14.435  -3.019
  281    H    GLY  10           HN       GLY  60 133.350  11.877  -5.082
  282   1HA   GLY  10          HA2       GLY  60 135.483  11.233  -4.397
  283   2HA   GLY  10          HA1       GLY  60 135.814  12.916  -4.006
  284    H    GLN  11           HN       GLN  61 132.990  11.422  -2.679
  285    HA   GLN  11           HA       GLN  61 134.370  11.205  -0.103
  286   1HB   GLN  11          HB2       GLN  61 131.563  11.992  -0.680
  287   2HB   GLN  11          HB1       GLN  61 132.087  11.582   0.908
  288   1HG   GLN  11          HG2       GLN  61 133.848  13.428   0.571
  289   2HG   GLN  11          HG1       GLN  61 132.818  13.947  -0.762
  290   1HE2  GLN  11          HE21      GLN  61 133.065  15.821   0.961
  291   2HE2  GLN  11          HE22      GLN  61 131.724  15.965   2.035
  292    H    ALA  12           HN       ALA  62 133.907   9.405   1.154
  293    HA   ALA  12           HA       ALA  62 132.920   7.150  -0.379
  294   1HB   ALA  12          HB1       ALA  62 133.835   6.419   2.235
  295   2HB   ALA  12          HB2       ALA  62 135.007   7.486   1.464
  296   3HB   ALA  12          HB3       ALA  62 134.504   6.001   0.658
  297    H    TYR  13           HN       TYR  63 131.234   6.054  -0.015
  298    HA   TYR  13           HA       TYR  63 129.512   6.812   2.257
  299   1HB   TYR  13          HB2       TYR  63 128.822   6.198  -0.586
  300   2HB   TYR  13          HB1       TYR  63 127.662   6.109   0.673
  301    HD1  TYR  13           HD1      TYR  63 129.222   8.280  -1.614
  302    HD2  TYR  13           HD2      TYR  63 127.464   8.149   2.224
  303    HE1  TYR  13           HE1      TYR  63 128.998  10.729  -1.631
  304    HE2  TYR  13           HE2      TYR  63 127.258  10.584   2.244
  305    HH   TYR  13           HH       TYR  63 128.393  12.552   1.062
  306    H    VAL  14           HN       VAL  64 128.249   5.311   3.060
  307    HA   VAL  14           HA       VAL  64 129.076   2.506   2.751
  308    HB   VAL  14           HB       VAL  64 127.702   3.498   5.182
  309   1HG1  VAL  14          HG11      VAL  64 130.285   2.210   5.559
  310   2HG1  VAL  14          HG12      VAL  64 129.198   1.248   4.571
  311   3HG1  VAL  14          HG13      VAL  64 128.705   1.744   6.186
  312   1HG2  VAL  14          HG21      VAL  64 129.393   5.275   4.304
  313   2HG2  VAL  14          HG22      VAL  64 130.588   4.184   4.975
  314   3HG2  VAL  14          HG23      VAL  64 129.343   4.873   6.013
  315    H    ARG  15           HN       ARG  65 127.283   0.986   2.878
  316    HA   ARG  15           HA       ARG  65 124.855   2.321   1.948
  317   1HB   ARG  15          HB2       ARG  65 126.382   0.337   0.800
  318   2HB   ARG  15          HB1       ARG  65 125.074  -0.547   1.464
  319   1HG   ARG  15          HG2       ARG  65 125.152   0.937  -0.936
  320   2HG   ARG  15          HG1       ARG  65 123.848  -0.053  -0.315
  321   1HD   ARG  15          HD2       ARG  65 123.196   1.973   1.037
  322   2HD   ARG  15          HD1       ARG  65 124.332   2.876   0.049
  323    HE   ARG  15           HE       ARG  65 122.270   1.319  -1.292
  324   1HH1  ARG  15          HH11      ARG  65 123.532   4.425  -0.385
  325   2HH1  ARG  15          HH12      ARG  65 122.454   5.299  -1.415
  326   1HH2  ARG  15          HH21      ARG  65 120.875   2.453  -2.630
  327   2HH2  ARG  15          HH22      ARG  65 120.967   4.180  -2.717
  328    H    LYS  16           HN       LYS  66 123.635   2.723   3.535
  329    HA   LYS  16           HA       LYS  66 122.643   0.537   5.207
  330   1HB   LYS  16          HB2       LYS  66 123.550   1.421   7.032
  331   2HB   LYS  16          HB1       LYS  66 124.255   2.703   6.091
  332   1HG   LYS  16          HG2       LYS  66 122.007   3.886   6.405
  333   2HG   LYS  16          HG1       LYS  66 121.715   2.678   7.665
  334   1HD   LYS  16          HD2       LYS  66 124.320   3.533   8.104
  335   2HD   LYS  16          HD1       LYS  66 123.440   5.005   7.703
  336   1HE   LYS  16          HE2       LYS  66 122.006   4.759   9.512
  337   2HE   LYS  16          HE1       LYS  66 122.403   3.064   9.714
  338   1HZ   LYS  16          HZ1       LYS  66 123.753   5.405  10.722
  339   2HZ   LYS  16          HZ2       LYS  66 124.785   4.236  10.068
  340   3HZ   LYS  16          HZ3       LYS  66 123.735   3.825  11.326
  341    H    ASP  17           HN       ASP  67 120.494   0.435   5.192
  342    HA   ASP  17           HA       ASP  67 118.323   1.001   4.852
  343   1HB   ASP  17          HB2       ASP  67 118.778   2.504   6.715
  344   2HB   ASP  17          HB1       ASP  67 119.245   3.721   5.553
  345    H    GLY  18           HN       GLY  68 119.787   0.821   2.508
  346   1HA   GLY  18          HA2       GLY  68 119.609   1.325   0.289
  347   2HA   GLY  18          HA1       GLY  68 118.075   2.071   0.696
  348    H    GLU  19           HN       GLU  69 120.741   3.522   2.372
  349    HA   GLU  19           HA       GLU  69 120.872   5.570   0.295
  350   1HB   GLU  19          HB2       GLU  69 120.570   5.919   3.269
  351   2HB   GLU  19          HB1       GLU  69 121.003   7.213   2.182
  352   1HG   GLU  19          HG2       GLU  69 118.840   6.620   0.932
  353   2HG   GLU  19          HG1       GLU  69 118.415   5.745   2.402
  354    H    TRP  20           HN       TRP  70 122.734   6.952   0.437
  355    HA   TRP  20           HA       TRP  70 125.070   5.412   1.220
  356   1HB   TRP  20          HB2       TRP  70 124.808   7.865  -0.556
  357   2HB   TRP  20          HB1       TRP  70 126.326   7.118  -0.116
  358    HD1  TRP  20           HD1      TRP  70 123.850   6.920  -2.806
  359    HE1  TRP  20           HE1      TRP  70 124.094   4.685  -4.091
  360    HE3  TRP  20           HE3      TRP  70 126.899   4.427   0.445
  361    HZ2  TRP  20           HZ2      TRP  70 125.413   2.249  -3.734
  362    HZ3  TRP  20           HZ3      TRP  70 127.625   2.163  -0.120
  363    HH2  TRP  20           HH2      TRP  70 126.890   1.083  -2.175
  364    H    VAL  21           HN       VAL  71 125.950   5.815   3.113
  365    HA   VAL  21           HA       VAL  71 125.738   8.544   4.204
  366    HB   VAL  21           HB       VAL  71 126.400   6.148   5.875
  367   1HG1  VAL  21          HG11      VAL  71 126.085   7.535   7.706
  368   2HG1  VAL  21          HG12      VAL  71 125.132   8.697   6.783
  369   3HG1  VAL  21          HG13      VAL  71 126.874   8.586   6.530
  370   1HG2  VAL  21          HG21      VAL  71 123.987   6.463   6.735
  371   2HG2  VAL  21          HG22      VAL  71 124.250   5.519   5.269
  372   3HG2  VAL  21          HG23      VAL  71 123.691   7.189   5.157
  373    H    LEU  22           HN       LEU  72 127.437   9.578   4.696
  374    HA   LEU  22           HA       LEU  72 129.901   9.018   3.592
  375   1HB   LEU  22          HB2       LEU  72 128.671  11.042   5.077
  376   2HB   LEU  22          HB1       LEU  72 130.109  10.620   5.976
  377    HG   LEU  22           HG       LEU  72 130.079  12.529   4.107
  378   1HD1  LEU  22          HD11      LEU  72 132.067  12.165   5.391
  379   2HD1  LEU  22          HD12      LEU  72 132.513  12.133   3.680
  380   3HD1  LEU  22          HD13      LEU  72 132.365  10.622   4.587
  381   1HD2  LEU  22          HD21      LEU  72 130.391  11.936   1.996
  382   2HD2  LEU  22          HD22      LEU  72 129.608  10.450   2.492
  383   3HD2  LEU  22          HD23      LEU  72 131.363  10.529   2.417
  384    H    LEU  23           HN       LEU  73 131.447   7.725   4.051
  385    HA   LEU  23           HA       LEU  73 131.405   5.836   6.096
  386   1HB   LEU  23          HB2       LEU  73 132.699   5.487   4.155
  387   2HB   LEU  23          HB1       LEU  73 133.591   6.961   4.376
  388    HG   LEU  23           HG       LEU  73 134.543   5.937   6.501
  389   1HD1  LEU  23          HD11      LEU  73 133.210   3.538   5.333
  390   2HD1  LEU  23          HD12      LEU  73 133.274   4.085   7.010
  391   3HD1  LEU  23          HD13      LEU  73 134.715   3.399   6.248
  392   1HD2  LEU  23          HD21      LEU  73 136.236   5.927   5.109
  393   2HD2  LEU  23          HD22      LEU  73 135.231   5.486   3.732
  394   3HD2  LEU  23          HD23      LEU  73 135.861   4.231   4.807
  395    H    SER  24           HN       SER  74 132.976   8.975   5.874
  396    HA   SER  24           HA       SER  74 134.586   8.779   8.165
  397   1HB   SER  24          HB2       SER  74 134.811  10.537   6.411
  398   2HB   SER  24          HB1       SER  74 133.337  11.288   7.024
  399    HG   SER  24           HG       SER  74 134.489  11.372   9.099
  400    H    THR  25           HN       THR  75 131.173   9.132   7.879
  401    HA   THR  25           HA       THR  75 130.766  10.405  10.400
  402    HB   THR  25           HB       THR  75 129.020   8.891   8.499
  403    HG1  THR  25           HG1      THR  75 127.838  10.878   8.709
  404   1HG2  THR  25          HG21      THR  75 127.826   9.892  11.043
  405   2HG2  THR  25          HG22      THR  75 128.428   8.239  10.936
  406   3HG2  THR  25          HG23      THR  75 127.159   8.784   9.846
  407    H    PHE  26           HN       PHE  76 131.732   7.333   9.320
  408    HA   PHE  26           HA       PHE  76 131.067   5.971  11.803
  409   1HB   PHE  26          HB2       PHE  76 131.975   4.939   9.125
  410   2HB   PHE  26          HB1       PHE  76 131.672   3.921  10.516
  411    HD1  PHE  26           HD1      PHE  76 130.083   6.265   8.131
  412    HD2  PHE  26           HD2      PHE  76 129.432   3.320  11.138
  413    HE1  PHE  26           HE1      PHE  76 127.691   6.207   7.550
  414    HE2  PHE  26           HE2      PHE  76 127.040   3.261  10.570
  415    HZ   PHE  26           HZ       PHE  76 126.148   4.708   8.781
  416    H    LEU  27           HN       LEU  77 133.767   7.532  10.388
  417    HA   LEU  27           HA       LEU  77 135.549   5.866  12.032
  418   1HB   LEU  27          HB2       LEU  77 136.469   7.882  10.007
  419   2HB   LEU  27          HB1       LEU  77 137.364   6.543  10.701
  420    HG   LEU  27           HG       LEU  77 135.015   6.211   8.832
  421   1HD1  LEU  27          HD11      LEU  77 136.370   6.540   7.117
  422   2HD1  LEU  27          HD12      LEU  77 137.504   5.357   7.770
  423   3HD1  LEU  27          HD13      LEU  77 137.633   7.052   8.241
  424   1HD2  LEU  27          HD21      LEU  77 136.722   3.996   8.778
  425   2HD2  LEU  27          HD22      LEU  77 135.096   4.082   9.466
  426   3HD2  LEU  27          HD23      LEU  77 136.502   4.386  10.488
  427   1H    GLY   1           HT1      GLY 101 121.968   6.069 -13.273
  428   2H    GLY   1           HT2      GLY 101 122.999   4.886 -12.644
  429   3H    GLY   1           HT3      GLY 101 122.859   6.383 -11.869
  430   1HA   GLY   1          HA1       GLY 101 120.756   5.940 -11.048
  431   2HA   GLY   1          HA2       GLY 101 120.497   4.659 -12.220
  432    H    TYR   2           HN       TYR 102 122.603   3.027 -11.973
  433    HA   TYR   2           HA       TYR 102 122.609   2.287  -9.129
  434   1HB   TYR   2          HB2       TYR 102 122.091   0.631 -11.532
  435   2HB   TYR   2          HB1       TYR 102 122.856  -0.124 -10.146
  436    HD1  TYR   2           HD1      TYR 102 121.223  -1.505  -9.207
  437    HD2  TYR   2           HD2      TYR 102 120.167   2.465 -10.297
  438    HE1  TYR   2           HE1      TYR 102 119.009  -1.800  -8.177
  439    HE2  TYR   2           HE2      TYR 102 117.965   2.178  -9.255
  440    HH   TYR   2           HH       TYR 102 117.172  -0.682  -7.392
  441    H    ILE   3           HN       ILE 103 124.503   1.401  -8.251
  442    HA   ILE   3           HA       ILE 103 126.944   2.142  -9.648
  443    HB   ILE   3           HB       ILE 103 128.019   1.092  -7.535
  444   1HG1  ILE   3          HG12      ILE 103 125.235   1.542  -6.491
  445   2HG1  ILE   3          HG11      ILE 103 125.968  -0.030  -6.779
  446   1HG2  ILE   3          HG21      ILE 103 127.109   3.679  -8.080
  447   2HG2  ILE   3          HG22      ILE 103 128.379   3.172  -6.977
  448   3HG2  ILE   3          HG23      ILE 103 126.742   3.350  -6.387
  449   1HD1  ILE   3          HD11      ILE 103 126.933   2.059  -4.866
  450   2HD1  ILE   3          HD12      ILE 103 127.715   0.510  -5.161
  451   3HD1  ILE   3          HD13      ILE 103 126.108   0.557  -4.445
  452    HA   PRO   4           HA       PRO 104 127.757  -2.049 -10.801
  453   1HB   PRO   4          HB2       PRO 104 130.488  -1.726 -11.326
  454   2HB   PRO   4          HB1       PRO 104 129.192  -1.378 -12.470
  455   1HG   PRO   4          HG2       PRO 104 130.953   0.477 -11.181
  456   2HG   PRO   4          HG1       PRO 104 129.652   0.824 -12.328
  457   1HD   PRO   4          HD2       PRO 104 129.682   1.096  -9.401
  458   2HD   PRO   4          HD1       PRO 104 128.584   1.820 -10.591
  459    H    GLU   5           HN       GLU 105 128.621  -3.897 -10.130
  460    HA   GLU   5           HA       GLU 105 128.947  -4.204  -7.411
  461   1HB   GLU   5          HB2       GLU 105 128.157  -5.997  -8.791
  462   2HB   GLU   5          HB1       GLU 105 129.657  -6.031  -9.708
  463   1HG   GLU   5          HG2       GLU 105 130.733  -7.237  -8.156
  464   2HG   GLU   5          HG1       GLU 105 129.918  -6.444  -6.817
  465    H    ALA   6           HN       ALA 106 130.595  -4.582  -6.056
  466    HA   ALA   6           HA       ALA 106 133.218  -3.591  -6.819
  467   1HB   ALA   6          HB1       ALA 106 133.683  -3.492  -4.477
  468   2HB   ALA   6          HB2       ALA 106 132.286  -4.495  -4.107
  469   3HB   ALA   6          HB3       ALA 106 132.057  -2.869  -4.727
  470    HA   PRO   7           HA       PRO 107 135.498  -7.367  -6.982
  471   1HB   PRO   7          HB2       PRO 107 137.262  -6.477  -4.785
  472   2HB   PRO   7          HB1       PRO 107 137.667  -6.865  -6.458
  473   1HG   PRO   7          HG2       PRO 107 137.658  -4.334  -5.530
  474   2HG   PRO   7          HG1       PRO 107 137.219  -4.735  -7.201
  475   1HD   PRO   7          HD2       PRO 107 135.474  -4.015  -4.898
  476   2HD   PRO   7          HD1       PRO 107 135.283  -3.639  -6.621
  477    H    ARG   8           HN       ARG 108 135.549  -9.376  -5.956
  478    HA   ARG   8           HA       ARG 108 134.418  -9.407  -3.255
  479   1HB   ARG   8          HB2       ARG 108 133.887 -11.916  -4.177
  480   2HB   ARG   8          HB1       ARG 108 132.776 -10.560  -4.159
  481   1HG   ARG   8          HG2       ARG 108 134.223 -10.282  -6.466
  482   2HG   ARG   8          HG1       ARG 108 133.851 -11.989  -6.339
  483   1HD   ARG   8          HD2       ARG 108 131.769 -11.583  -7.009
  484   2HD   ARG   8          HD1       ARG 108 131.545 -10.513  -5.624
  485    HE   ARG   8           HE       ARG 108 131.731  -8.727  -7.030
  486   1HH1  ARG   8          HH11      ARG 108 133.046 -11.531  -8.641
  487   2HH1  ARG   8          HH12      ARG 108 133.321 -10.698 -10.134
  488   1HH2  ARG   8          HH21      ARG 108 132.113  -7.630  -8.997
  489   2HH2  ARG   8          HH22      ARG 108 132.787  -8.490 -10.337
  490    H    ASP   9           HN       ASP 109 136.908  -9.098  -3.028
  491    HA   ASP   9           HA       ASP 109 138.290 -11.713  -2.853
  492   1HB   ASP   9          HB2       ASP 109 140.345 -10.378  -2.560
  493   2HB   ASP   9          HB1       ASP 109 139.537 -10.043  -4.085
  494    H    GLY  10           HN       GLY 110 136.262 -10.530  -0.958
  495   1HA   GLY  10          HA2       GLY 110 135.981 -10.860   1.326
  496   2HA   GLY  10          HA1       GLY 110 137.666 -11.358   1.415
  497    H    GLN  11           HN       GLN 111 137.248  -8.373  -0.150
  498    HA   GLN  11           HA       GLN 111 137.960  -6.999   2.336
  499   1HB   GLN  11          HB2       GLN 111 139.140  -6.923  -0.295
  500   2HB   GLN  11          HB1       GLN 111 138.706  -5.343   0.218
  501   1HG   GLN  11          HG2       GLN 111 140.736  -7.221   1.313
  502   2HG   GLN  11          HG1       GLN 111 140.885  -5.508   0.938
  503   1HE2  GLN  11          HE21      GLN 111 140.408  -7.807   3.342
  504   2HE2  GLN  11          HE22      GLN 111 140.048  -6.737   4.647
  505    H    ALA  12           HN       ALA 112 136.967  -5.100   2.830
  506    HA   ALA  12           HA       ALA 112 134.391  -4.729   1.565
  507   1HB   ALA  12          HB1       ALA 112 135.118  -4.794   4.129
  508   2HB   ALA  12          HB2       ALA 112 133.703  -3.923   3.554
  509   3HB   ALA  12          HB3       ALA 112 135.212  -3.059   3.851
  510    H    TYR  13           HN       TYR 113 133.712  -3.066   0.534
  511    HA   TYR  13           HA       TYR 113 135.632  -0.907  -0.002
  512   1HB   TYR  13          HB2       TYR 113 133.668  -2.247  -1.796
  513   2HB   TYR  13          HB1       TYR 113 134.361  -0.721  -2.164
  514    HD1  TYR  13           HD1      TYR 113 134.813  -4.185  -2.313
  515    HD2  TYR  13           HD2      TYR 113 136.882  -0.537  -2.143
  516    HE1  TYR  13           HE1      TYR 113 136.847  -5.343  -3.097
  517    HE2  TYR  13           HE2      TYR 113 138.921  -1.623  -2.908
  518    HH   TYR  13           HH       TYR 113 138.960  -5.051  -3.826
  519    H    VAL  14           HN       VAL 114 134.892   1.052  -0.293
  520    HA   VAL  14           HA       VAL 114 132.288   1.796   0.884
  521    HB   VAL  14           HB       VAL 114 134.539   3.704   0.570
  522   1HG1  VAL  14          HG11      VAL 114 132.939   4.707   1.881
  523   2HG1  VAL  14          HG12      VAL 114 133.964   3.997   3.129
  524   3HG1  VAL  14          HG13      VAL 114 132.473   3.189   2.650
  525   1HG2  VAL  14          HG21      VAL 114 134.912   1.988   2.918
  526   2HG2  VAL  14          HG22      VAL 114 136.102   2.734   1.856
  527   3HG2  VAL  14          HG23      VAL 114 135.296   1.250   1.373
  528    H    ARG  15           HN       ARG 115 131.184   3.555  -0.289
  529    HA   ARG  15           HA       ARG 115 132.053   3.481  -3.077
  530   1HB   ARG  15          HB2       ARG 115 129.598   2.928  -1.940
  531   2HB   ARG  15          HB1       ARG 115 129.357   4.518  -2.560
  532   1HG   ARG  15          HG2       ARG 115 129.466   1.978  -3.923
  533   2HG   ARG  15          HG1       ARG 115 128.759   3.491  -4.454
  534   1HD   ARG  15          HD2       ARG 115 131.510   3.826  -4.713
  535   2HD   ARG  15          HD1       ARG 115 131.193   2.182  -5.238
  536    HE   ARG  15           HE       ARG 115 129.711   4.468  -6.343
  537   1HH1  ARG  15          HH11      ARG 115 131.764   1.674  -6.827
  538   2HH1  ARG  15          HH12      ARG 115 131.466   1.604  -8.529
  539   1HH2  ARG  15          HH21      ARG 115 129.309   4.345  -8.581
  540   2HH2  ARG  15          HH22      ARG 115 130.084   3.116  -9.524
  541    H    LYS  16           HN       LYS 116 133.220   5.067  -3.633
  542    HA   LYS  16           HA       LYS 116 132.419   7.796  -3.003
  543   1HB   LYS  16          HB2       LYS 116 134.074   7.920  -1.510
  544   2HB   LYS  16          HB1       LYS 116 134.797   6.435  -2.059
  545   1HG   LYS  16          HG2       LYS 116 135.807   7.814  -3.945
  546   2HG   LYS  16          HG1       LYS 116 135.278   9.232  -3.033
  547   1HD   LYS  16          HD2       LYS 116 136.503   7.655  -1.136
  548   2HD   LYS  16          HD1       LYS 116 137.515   7.440  -2.565
  549   1HE   LYS  16          HE2       LYS 116 138.079   9.676  -2.644
  550   2HE   LYS  16          HE1       LYS 116 136.666  10.162  -1.717
  551   1HZ   LYS  16          HZ1       LYS 116 139.192   9.003  -0.757
  552   2HZ   LYS  16          HZ2       LYS 116 137.780   8.826   0.157
  553   3HZ   LYS  16          HZ3       LYS 116 138.366  10.371  -0.198
  554    H    ASP  17           HN       ASP 117 132.253   8.957  -4.825
  555    HA   ASP  17           HA       ASP 117 132.586   9.669  -6.979
  556   1HB   ASP  17          HB2       ASP 117 134.940   9.891  -5.835
  557   2HB   ASP  17          HB1       ASP 117 135.368   8.556  -6.899
  558    H    GLY  18           HN       GLY 118 131.323   7.221  -6.917
  559   1HA   GLY  18          HA2       GLY 118 130.729   5.535  -8.319
  560   2HA   GLY  18          HA1       GLY 118 131.722   6.307  -9.532
  561    H    GLU  19           HN       GLU 119 133.474   5.308  -6.667
  562    HA   GLU  19           HA       GLU 119 134.198   2.827  -8.043
  563   1HB   GLU  19          HB2       GLU 119 135.954   5.063  -7.165
  564   2HB   GLU  19          HB1       GLU 119 136.558   3.423  -7.050
  565   1HG   GLU  19          HG2       GLU 119 135.775   3.253  -9.525
  566   2HG   GLU  19          HG1       GLU 119 135.860   5.012  -9.466
  567    H    TRP  20           HN       TRP 120 135.331   1.283  -6.701
  568    HA   TRP  20           HA       TRP 120 134.242   1.316  -4.000
  569   1HB   TRP  20          HB2       TRP 120 135.390  -0.965  -5.632
  570   2HB   TRP  20          HB1       TRP 120 134.856  -1.102  -3.972
  571    HD1  TRP  20           HD1      TRP 120 133.525  -1.496  -7.368
  572    HE1  TRP  20           HE1      TRP 120 130.946  -1.528  -7.307
  573    HE3  TRP  20           HE3      TRP 120 132.822   0.209  -2.621
  574    HZ2  TRP  20           HZ2      TRP 120 128.906  -0.904  -5.465
  575    HZ3  TRP  20           HZ3      TRP 120 130.534   0.470  -1.782
  576    HH2  TRP  20           HH2      TRP 120 128.624  -0.044  -3.190
  577    H    VAL  21           HN       VAL 121 135.503   2.009  -2.463
  578    HA   VAL  21           HA       VAL 121 138.405   1.598  -2.679
  579    HB   VAL  21           HB       VAL 121 138.773   3.639  -1.602
  580   1HG1  VAL  21          HG11      VAL 121 136.324   4.026  -3.316
  581   2HG1  VAL  21          HG12      VAL 121 137.978   3.859  -3.908
  582   3HG1  VAL  21          HG13      VAL 121 137.527   5.256  -2.928
  583   1HG2  VAL  21          HG21      VAL 121 137.163   3.368   0.232
  584   2HG2  VAL  21          HG22      VAL 121 135.845   3.728  -0.881
  585   3HG2  VAL  21          HG23      VAL 121 137.035   4.970  -0.497
  586    H    LEU  22           HN       LEU 122 139.393   0.543  -1.206
  587    HA   LEU  22           HA       LEU 122 138.128  -1.161   0.494
  588   1HB   LEU  22          HB2       LEU 122 140.783  -0.335  -0.072
  589   2HB   LEU  22          HB1       LEU 122 140.597  -0.686   1.643
  590    HG   LEU  22           HG       LEU 122 140.227  -2.519  -0.700
  591   1HD1  LEU  22          HD11      LEU 122 141.456  -3.474   1.748
  592   2HD1  LEU  22          HD12      LEU 122 142.286  -2.093   1.034
  593   3HD1  LEU  22          HD13      LEU 122 142.027  -3.554   0.082
  594   1HD2  LEU  22          HD21      LEU 122 139.492  -4.102   1.309
  595   2HD2  LEU  22          HD22      LEU 122 138.328  -3.218   0.322
  596   3HD2  LEU  22          HD23      LEU 122 138.814  -2.588   1.899
  597    H    LEU  23           HN       LEU 123 137.189  -1.104   2.344
  598    HA   LEU  23           HA       LEU 123 136.661   1.239   3.779
  599   1HB   LEU  23          HB2       LEU 123 135.248  -0.700   3.895
  600   2HB   LEU  23          HB1       LEU 123 136.533  -1.662   4.574
  601    HG   LEU  23           HG       LEU 123 136.363  -0.679   6.683
  602   1HD1  LEU  23          HD11      LEU 123 134.738   1.548   5.475
  603   2HD1  LEU  23          HD12      LEU 123 136.422   1.657   5.982
  604   3HD1  LEU  23          HD13      LEU 123 135.160   1.363   7.179
  605   1HD2  LEU  23          HD21      LEU 123 134.101  -0.883   7.336
  606   2HD2  LEU  23          HD22      LEU 123 134.365  -2.043   6.044
  607   3HD2  LEU  23          HD23      LEU 123 133.529  -0.523   5.725
  608    H    SER  24           HN       SER 124 138.970  -1.398   4.340
  609    HA   SER  24           HA       SER 124 139.918  -0.449   6.800
  610   1HB   SER  24          HB2       SER 124 140.271  -2.757   6.032
  611   2HB   SER  24          HB1       SER 124 141.325  -2.172   4.745
  612    HG   SER  24           HG       SER 124 142.796  -1.505   6.276
  613    H    THR  25           HN       THR 125 140.579   0.588   3.545
  614    HA   THR  25           HA       THR 125 143.110   1.767   4.115
  615    HB   THR  25           HB       THR 125 141.087   2.238   1.933
  616    HG1  THR  25           HG1      THR 125 142.182   0.472   1.442
  617   1HG2  THR  25          HG21      THR 125 141.984   4.228   1.521
  618   2HG2  THR  25          HG22      THR 125 143.416   3.337   1.005
  619   3HG2  THR  25          HG23      THR 125 143.313   3.963   2.650
  620    H    PHE  26           HN       PHE 126 139.867   2.459   4.838
  621    HA   PHE  26           HA       PHE 126 140.312   5.275   5.443
  622   1HB   PHE  26          HB2       PHE 126 137.856   3.574   5.170
  623   2HB   PHE  26          HB1       PHE 126 137.783   5.131   5.963
  624    HD1  PHE  26           HD1      PHE 126 138.749   3.471   2.792
  625    HD2  PHE  26           HD2      PHE 126 137.757   7.148   4.690
  626    HE1  PHE  26           HE1      PHE 126 138.703   4.589   0.589
  627    HE2  PHE  26           HE2      PHE 126 137.693   8.263   2.496
  628    HZ   PHE  26           HZ       PHE 126 138.170   6.982   0.445
  629    H    LEU  27           HN       LEU 127 140.815   2.470   6.982
  630    HA   LEU  27           HA       LEU 127 140.029   3.535   9.603
  631   1HB   LEU  27          HB2       LEU 127 139.709   1.019   8.433
  632   2HB   LEU  27          HB1       LEU 127 140.995   0.813   9.603
  633    HG   LEU  27           HG       LEU 127 139.595   1.460  11.403
  634   1HD1  LEU  27          HD11      LEU 127 137.089   1.804   9.985
  635   2HD1  LEU  27          HD12      LEU 127 138.261   3.069   9.606
  636   3HD1  LEU  27          HD13      LEU 127 137.800   2.767  11.281
  637   1HD2  LEU  27          HD21      LEU 127 137.455  -0.030  10.390
  638   2HD2  LEU  27          HD22      LEU 127 138.803  -0.588  11.397
  639   3HD2  LEU  27          HD23      LEU 127 138.921  -0.664   9.638