*HEADER    VIRUS/VIRAL PROTEIN                     31-MAY-01   1JAV              
*TITLE     AVERAGE NMR SOLUTION STRUCTURE OF THE TRP-RICH PEPTIDE OF             
*TITLE    2 HIV GP41 BOUND TO DPC MICELLES                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRANSMEMBRANE GLYCOPROTEIN (GP41);                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 665-683;                                          
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED.              
*SOURCE   4 THE SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN HUMAN              
*SOURCE   5 IMMUNODEFICIENCY VIRUS (HIV).                                        
*KEYWDS    AMPHIPATHIC ALPHA HELIX                                               
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    D.J.SCHIBLI, R.C.MONTELARO, H.J.VOGEL                                 
*REVDAT   1   17-OCT-01 1JAV    0                                                
assign (resid 1 and name HB#) (resid 1 and name HA)     2.800 1.0 0.0 volume 0.3665 peak 439

assign (resid 1 and name HD#) (resid 1 and name HA)     5.000 3.2 0.0 volume 0.0968 peak 433

assign (resid 1 and name HB#) (resid 1 and name HD#)     2.800 1.0 0.0 volume 0.3363 peak 504

assign (resid 1 and name HE#) (resid 1 and name HG#)     5.000 3.2 0.0 volume 0.0735 peak 496

assign (resid 1 and name HE#) (resid 1 and name HG#)     5.000 3.2 0.0 volume 0.0715 peak 495

assign (resid 2 and name HD1) (resid 1 and name HB#)     5.000 3.2 0.0 volume 0.063 peak 252

assign (resid 2 and name HE1) (resid 1 and name HD#)     5.000 3.2 0.0 volume 0.0293 peak 6

assign (resid 2 and name HN) (resid 1 and name HA)     2.800 1.0 0.0 volume 0.4402 peak 12

assign (resid 2 and name HN) (resid 1 and name HB#)     3.400 1.6 0.0 volume 0.1347 peak 14

assign (resid 2 and name HZ2) (resid 1 and name HD#)     5.000 3.2 0.0 volume 0.0363 peak 250

assign (resid 2 and name HZ2) (resid 1 and name HE#)     5.000 3.2 0.0 volume 0.0278 peak 618

assign (resid 2 and name HD1) (resid 2 and name HB#)     2.800 1.0 0.0 volume 0.3538 peak 270

assign (resid 2 and name HE1) (resid 2 and name HB#)     5.000 3.2 0.0 volume 0.0239 peak 585

assign (resid 2 and name HE1) (resid 2 and name HD1)     2.800 1.0 0.0 volume 1.0328 peak 591

assign (resid 2 and name HE3) (resid 2 and name HB#)     2.800 1.0 0.0 volume 0.3763 peak 165

assign (resid 2 and name HH2) (resid 2 and name HB#)     5.000 3.2 0.0 volume 0.0348 peak 376

assign (resid 2 and name HE1) (resid 2 and name HH2)     5.000 3.2 0.0 volume 0.031 peak 546

assign (resid 2 and name HN) (resid 2 and name HB#)     3.400 1.6 0.0 volume 0.2207 peak 13

assign (resid 2 and name HN) (resid 2 and name HD1)     3.400 1.6 0.0 volume 0.1124 peak 11

assign (resid 2 and name HN) (resid 2 and name HE3)     5.000 3.2 0.0 volume 0.0286 peak 543

assign (resid 2 and name HE1) (resid 2 and name HZ2)     2.800 1.0 0.0 volume 0.3371 peak 590

assign (resid 2 and name HZ3) (resid 2 and name HB#)     5.000 3.2 0.0 volume 0.0357 peak 375

assign (resid 2 and name HE3) (resid 2 and name HZ3)     2.800 1.0 0.0 volume 1.0858 peak 141

assign (resid 2 and name HH2) (resid 2 and name HZ3)     3.400 1.6 0.0 volume 0.1548 peak 304

assign (resid 2 and name HH2) (resid 2 and name HZ3)     2.800 1.0 0.0 volume 1.5014 peak 305

assign (resid 2 and name HZ2) (resid 2 and name HZ3)     3.400 1.6 0.0 volume 0.1462 peak 293

assign (resid 2 and name HZ3) (resid 2 and name HZ2)     3.400 1.6 0.0 volume 0.1786 peak 589

assign (resid 3 and name HN) (resid 1 and name HA)     5.000 3.2 0.0 volume 0.0568 peak 565

assign (resid 3 and name HN) (resid 1 and name HB#)     5.000 3.2 0.0 volume 0.0844 peak 568

assign (resid 3 and name HN) (resid 1 and name HG#)     5.000 3.2 0.0 volume 0.039 peak 28

assign (resid 2 and name HB#) (resid 3 and name HB#)     5.000 3.2 0.0 volume 0.045 peak 475

assign (resid 2 and name HD1) (resid 3 and name HB#)     5.000 3.2 0.0 volume 0.0361 peak 245

assign (resid 2 and name HE3) (resid 3 and name HB#)     5.000 3.2 0.0 volume 0.0411 peak 200

assign (resid 2 and name HN) (resid 3 and name HB#)     5.000 3.2 0.0 volume 0.0283 peak 561

assign (resid 2 and name HZ3) (resid 3 and name HB#)     5.000 3.2 0.0 volume 0.0318 peak 358

assign (resid 3 and name HN) (resid 2 and name HA)     2.800 1.0 0.0 volume 0.6856 peak 567

assign (resid 3 and name HN) (resid 2 and name HB#)     3.400 1.6 0.0 volume 0.209 peak 569

assign (resid 3 and name HN) (resid 2 and name HD1)     5.000 3.2 0.0 volume 0.0523 peak 573

assign (resid 3 and name HN) (resid 2 and name HE3)     5.000 3.2 0.0 volume 0.0388 peak 572

assign (resid 2 and name HN) (resid 3 and name HN)     3.400 1.6 0.0 volume 0.1208 peak 10

assign (resid 3 and name HN) (resid 2 and name HN)     3.400 1.6 0.0 volume 0.1137 peak 570

assign (resid 3 and name HB#) (resid 3 and name HA)     2.800 1.0 0.0 volume 0.9803 peak 424

assign (resid 3 and name HN) (resid 3 and name HA)     2.800 1.0 0.0 volume 0.436 peak 566

assign (resid 3 and name HN) (resid 3 and name HB#)     2.800 1.0 0.0 volume 1.0835 peak 33

assign (resid 4 and name HN) (resid 1 and name HB#)     5.000 3.2 0.0 volume 0.0306 peak 41

assign (resid 2 and name HB#) (resid 4 and name HB#)     5.000 3.2 0.0 volume 0.0373 peak 450

assign (resid 4 and name HN) (resid 2 and name HA)     2.800 1.0 0.0 volume 0.6224 peak 610

assign (resid 3 and name HB#) (resid 4 and name HA)     5.000 3.2 0.0 volume 0.0835 peak 404

assign (resid 3 and name HB#) (resid 4 and name HB#)     5.000 3.2 0.0 volume 0.0346 peak 457

assign (resid 4 and name HN) (resid 3 and name HA)     2.800 1.0 0.0 volume 0.3343 peak 81

assign (resid 4 and name HN) (resid 3 and name HB#)     3.400 1.6 0.0 volume 0.3372 peak 29

assign (resid 3 and name HN) (resid 4 and name HN)     3.400 1.6 0.0 volume 0.2711 peak 571

assign (resid 4 and name HB#) (resid 4 and name HA)     3.400 1.6 0.0 volume 0.1838 peak 388

assign (resid 4 and name HB#) (resid 4 and name HA)     3.400 1.6 0.0 volume 0.1578 peak 387

assign (resid 4 and name HN) (resid 4 and name HB#)     3.400 1.6 0.0 volume 0.2668 peak 70

assign (resid 4 and name HN) (resid 4 and name HB#)     3.400 1.6 0.0 volume 0.2727 peak 71

assign (resid 2 and name HB#) (resid 5 and name HB#)     5.000 3.2 0.0 volume 0.0279 peak 615

assign (resid 2 and name HE3) (resid 5 and name HB#)     5.000 3.2 0.0 volume 0.0369 peak 192

assign (resid 2 and name HE3) (resid 5 and name HD1#)     5.000 3.2 0.0 volume 0.1413 peak 221

assign (resid 2 and name HH2) (resid 5 and name HD1#)     5.000 3.2 0.0 volume 0.0754 peak 337

assign (resid 2 and name HZ3) (resid 5 and name HD1#)     5.000 3.2 0.0 volume 0.0781 peak 357

assign (resid 2 and name HB#) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.0472 peak 480

assign (resid 2 and name HD1) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.0601 peak 224

assign (resid 2 and name HE3) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.114 peak 222

assign (resid 2 and name HH2) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.0496 peak 346

assign (resid 2 and name HZ2) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.034 peak 223

assign (resid 2 and name HZ3) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.0655 peak 355

assign (resid 5 and name HN) (resid 3 and name HA)     5.000 3.2 0.0 volume 0.0511 peak 82

assign (resid 5 and name HN) (resid 3 and name HB#)     5.000 3.2 0.0 volume 0.0679 peak 547

assign (resid 3 and name HN) (resid 5 and name HN)     5.000 3.2 0.0 volume 0.0272 peak 576

assign (resid 5 and name HD1#) (resid 4 and name HA)     5.000 3.2 0.0 volume 0.0408 peak 410

assign (resid 5 and name HN) (resid 4 and name HA)     2.800 1.0 0.0 volume 0.4006 peak 89

assign (resid 5 and name HN) (resid 4 and name HB#)     3.400 1.6 0.0 volume 0.1086 peak 75

assign (resid 4 and name HN) (resid 5 and name HN)     2.800 1.0 0.0 volume 0.3784 peak 122

assign (resid 5 and name HB#) (resid 5 and name HA)     3.400 1.6 0.0 volume 0.214 peak 428

assign (resid 5 and name HB#) (resid 5 and name HD1#)     3.400 1.6 0.0 volume 0.3926 peak 525

assign (resid 5 and name HB#) (resid 5 and name HD2#)     3.400 1.6 0.0 volume 0.5102 peak 527

assign (resid 5 and name HD1#) (resid 5 and name HD2#)     2.800 1.0 0.0 volume 1.5467 peak 537

assign (resid 5 and name HB#) (resid 5 and name HG)     2.800 1.0 0.0 volume 1.1544 peak 512

assign (resid 5 and name HG) (resid 5 and name HD1#)     3.400 1.6 0.0 volume 0.4819 peak 559

assign (resid 5 and name HG) (resid 5 and name HD2#)     3.400 1.6 0.0 volume 0.2888 peak 560

assign (resid 5 and name HN) (resid 5 and name HB#)     2.800 1.0 0.0 volume 0.3552 peak 35

assign (resid 5 and name HN) (resid 5 and name HD1#)     5.000 3.2 0.0 volume 0.1125 peak 215

assign (resid 5 and name HN) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.0976 peak 213

assign (resid 5 and name HN) (resid 5 and name HG)     3.400 1.6 0.0 volume 0.2408 peak 34

assign (resid 6 and name HB1) (resid 3 and name HA)     5.000 3.2 0.0 volume 0.0409 peak 441

assign (resid 6 and name HD1) (resid 3 and name HA)     3.400 1.6 0.0 volume 0.1461 peak 280

assign (resid 6 and name HD1) (resid 3 and name HB#)     5.000 3.2 0.0 volume 0.0982 peak 244

assign (resid 6 and name HE1) (resid 3 and name HA)     5.000 3.2 0.0 volume 0.0285 peak 2

assign (resid 6 and name HN) (resid 3 and name HA)     5.000 3.2 0.0 volume 0.0431 peak 154

assign (resid 6 and name HN) (resid 3 and name HB#)     5.000 3.2 0.0 volume 0.0555 peak 193

assign (resid 6 and name HN) (resid 4 and name HA)     5.000 3.2 0.0 volume 0.0702 peak 149

assign (resid 5 and name HD1#) (resid 6 and name HA)     5.000 3.2 0.0 volume 0.0812 peak 407

assign (resid 6 and name HN) (resid 5 and name HA)     3.400 1.6 0.0 volume 0.1624 peak 157

assign (resid 6 and name HN) (resid 5 and name HB#)     3.400 1.6 0.0 volume 0.1147 peak 190

assign (resid 6 and name HN) (resid 5 and name HD1#)     5.000 3.2 0.0 volume 0.058 peak 216

assign (resid 6 and name HN) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.0501 peak 217

assign (resid 6 and name HN) (resid 5 and name HG)     3.400 1.6 0.0 volume 0.1386 peak 197

assign (resid 5 and name HN) (resid 6 and name HN)     2.800 1.0 0.0 volume 0.3354 peak 114

assign (resid 6 and name HZ3) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.0691 peak 356

assign (resid 6 and name HB1) (resid 6 and name HA)     2.800 1.0 0.0 volume 0.2772 peak 390

assign (resid 6 and name HB1) (resid 6 and name HB2)     2.800 1.0 0.0 volume 0.8827 peak 470

assign (resid 6 and name HD1) (resid 6 and name HB1)     3.400 1.6 0.0 volume 0.2061 peak 264

assign (resid 6 and name HD1) (resid 6 and name HB1)     3.400 1.6 0.0 volume 0.2365 peak 271

assign (resid 6 and name HE1) (resid 6 and name HB1)     5.000 3.2 0.0 volume 0.0262 peak 586

assign (resid 6 and name HE1) (resid 6 and name HD1)     2.800 1.0 0.0 volume 0.7681 peak 595

assign (resid 6 and name HE3) (resid 6 and name HB1)     3.400 1.6 0.0 volume 0.1503 peak 166

assign (resid 6 and name HE3) (resid 6 and name HB2)     3.400 1.6 0.0 volume 0.2104 peak 164

assign (resid 6 and name HE1) (resid 6 and name HH2)     5.000 3.2 0.0 volume 0.0328 peak 602

assign (resid 6 and name HE3) (resid 6 and name HH2)     3.400 1.6 0.0 volume 0.2006 peak 138

assign (resid 6 and name HN) (resid 6 and name HA)     3.400 1.6 0.0 volume 0.245 peak 146

assign (resid 6 and name HN) (resid 6 and name HB1)     3.400 1.6 0.0 volume 0.2237 peak 163

assign (resid 6 and name HN) (resid 6 and name HB1)     2.800 1.0 0.0 volume 0.2867 peak 167

assign (resid 6 and name HN) (resid 6 and name HD1)     3.400 1.6 0.0 volume 0.1361 peak 128

assign (resid 6 and name HE1) (resid 6 and name HN)     5.000 3.2 0.0 volume 0.0264 peak 541

assign (resid 6 and name HD1) (resid 6 and name HZ2)     5.000 3.2 0.0 volume 0.0842 peak 588

assign (resid 6 and name HE1) (resid 6 and name HZ2)     2.800 1.0 0.0 volume 0.3178 peak 604

assign (resid 6 and name HZ3) (resid 6 and name HB2)     5.000 3.2 0.0 volume 0.0244 peak 584

assign (resid 6 and name HZ2) (resid 6 and name HZ3)     3.400 1.6 0.0 volume 0.1329 peak 292

assign (resid 7 and name HD21) (resid 3 and name HB#)     5.000 3.2 0.0 volume 0.0272 peak 614

assign (resid 7 and name HN) (resid 3 and name HA)     5.000 3.2 0.0 volume 0.0403 peak 83

assign (resid 7 and name HB#) (resid 4 and name HA)     5.000 3.2 0.0 volume 0.0725 peak 398

assign (resid 7 and name HB#) (resid 4 and name HB#)     5.000 3.2 0.0 volume 0.0226 peak 622

assign (resid 7 and name HD21) (resid 4 and name HA)     5.000 3.2 0.0 volume 0.034 peak 379

assign (resid 7 and name HD22) (resid 4 and name HA)     5.000 3.2 0.0 volume 0.0495 peak 150

assign (resid 7 and name HD22) (resid 4 and name HB#)     5.000 3.2 0.0 volume 0.0253 peak 623

assign (resid 7 and name HN) (resid 4 and name HA)     3.400 1.6 0.0 volume 0.171 peak 549

assign (resid 7 and name HN) (resid 4 and name HB#)     5.000 3.2 0.0 volume 0.0481 peak 621

assign (resid 7 and name HD22) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.0575 peak 220

assign (resid 7 and name HN) (resid 5 and name HA)     3.400 1.6 0.0 volume 0.1519 peak 550

assign (resid 7 and name HN) (resid 5 and name HD1#)     5.000 3.2 0.0 volume 0.068 peak 214

assign (resid 7 and name HN) (resid 5 and name HG)     5.000 3.2 0.0 volume 0.03423 peak 652

assign (resid 7 and name HD22) (resid 6 and name HD1)     5.000 3.2 0.0 volume 0.0569 peak 129

assign (resid 7 and name HN) (resid 6 and name HB1)     3.400 1.6 0.0 volume 0.1109 peak 57

assign (resid 7 and name HN) (resid 6 and name HD1)     5.000 3.2 0.0 volume 0.045 peak 103

assign (resid 7 and name HN) (resid 6 and name HN)     2.800 1.0 0.0 volume 0.3379 peak 115

assign (resid 7 and name HB#) (resid 7 and name HA)     2.800 1.0 0.0 volume 0.4968 peak 399

assign (resid 7 and name HD21) (resid 7 and name HB#)     3.400 1.6 0.0 volume 0.12 peak 368

assign (resid 7 and name HD22) (resid 7 and name HB#)     3.400 1.6 0.0 volume 0.1907 peak 182

assign (resid 7 and name HN) (resid 7 and name HA)     2.800 1.0 0.0 volume 0.5352 peak 545

assign (resid 7 and name HN) (resid 7 and name HB#)     2.800 1.0 0.0 volume 0.37 peak 47

assign (resid 7 and name HN) (resid 7 and name HD21)     5.000 3.2 0.0 volume 0.0295 peak 96

assign (resid 8 and name HB#) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.0311 peak 482

assign (resid 8 and name HB#) (resid 5 and name HA)     3.400 1.6 0.0 volume 0.0995 peak 448

assign (resid 8 and name HE1) (resid 5 and name HA)     5.000 3.2 0.0 volume 0.0392 peak 3

assign (resid 8 and name HN) (resid 6 and name HA)     3.400 1.6 0.0 volume 0.1011 peak 574

assign (resid 7 and name HD22) (resid 8 and name HA)     5.000 3.2 0.0 volume 0.0435 peak 151

assign (resid 7 and name HN) (resid 8 and name HA)     5.000 3.2 0.0 volume 0.0508 peak 88

assign (resid 7 and name HN) (resid 8 and name HB#)     5.000 3.2 0.0 volume 0.0505 peak 63

assign (resid 8 and name HD1) (resid 7 and name HB#)     5.000 3.2 0.0 volume 0.0711 peak 258

assign (resid 8 and name HN) (resid 7 and name HA)     3.400 1.6 0.0 volume 0.2702 peak 544

assign (resid 8 and name HN) (resid 7 and name HD22)     5.000 3.2 0.0 volume 0.028 peak 110

assign (resid 8 and name HN) (resid 7 and name HN)     3.400 1.6 0.0 volume 0.2697 peak 121

assign (resid 8 and name HE1) (resid 8 and name HB#)     5.000 3.2 0.0 volume 0.0319 peak 4

assign (resid 8 and name HE3) (resid 8 and name HB#)     3.400 1.6 0.0 volume 0.2722 peak 265

assign (resid 8 and name HE1) (resid 8 and name HH2)     5.000 3.2 0.0 volume 0.0347 peak 601

assign (resid 8 and name HE3) (resid 8 and name HH2)     3.400 1.6 0.0 volume 0.1764 peak 301

assign (resid 8 and name HN) (resid 8 and name HA)     3.400 1.6 0.0 volume 0.181 peak 86

assign (resid 8 and name HN) (resid 8 and name HB#)     3.400 1.6 0.0 volume 0.2725 peak 58

assign (resid 8 and name HE1) (resid 8 and name HZ2)     2.800 1.0 0.0 volume 0.3199 peak 592

assign (resid 8 and name HZ2) (resid 8 and name HH2)     2.800 1.0 0.0 volume 0.8696 peak 296

assign (resid 8 and name HZ3) (resid 8 and name HA)     5.000 3.2 0.0 volume 0.0396 peak 380

assign (resid 8 and name HZ3) (resid 8 and name HB#)     5.000 3.2 0.0 volume 0.0276 peak 372

assign (resid 8 and name HE3) (resid 8 and name HZ3)     2.800 1.0 0.0 volume 0.6393 peak 290

assign (resid 8 and name HZ2) (resid 8 and name HZ3)     3.400 1.6 0.0 volume 0.1542 peak 291

assign (resid 9 and name HB#) (resid 5 and name HD1#)     5.000 3.2 0.0 volume 0.0353 peak 499

assign (resid 5 and name HN) (resid 9 and name HB#)     5.000 3.2 0.0 volume 0.0329 peak 627

assign (resid 9 and name HB#) (resid 5 and name HD1#)     5.000 3.2 0.0 volume 0.0481 peak 484

assign (resid 5 and name HN) (resid 9 and name HB#)     5.000 3.2 0.0 volume 0.0363 peak 626

assign (resid 9 and name HD#) (resid 5 and name HB#)     5.000 3.2 0.0 volume 0.045 peak 249

assign (resid 9 and name HD#) (resid 5 and name HD1#)     3.400 1.6 0.0 volume 0.2595 peak 226

assign (resid 9 and name HD#) (resid 5 and name HG)     5.000 3.2 0.0 volume 0.0451 peak 247

assign (resid 9 and name HD#) (resid 5 and name HB#)     5.000 3.2 0.0 volume 0.031 peak 330

assign (resid 9 and name HD#) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.129 peak 225

assign (resid 9 and name HE#) (resid 5 and name HD1#)     5.000 3.2 0.0 volume 0.055 peak 336

assign (resid 9 and name HE#) (resid 5 and name HD2#)     5.000 3.2 0.0 volume 0.0368 peak 347

assign (resid 9 and name HN) (resid 5 and name HA)     5.000 3.2 0.0 volume 0.0417 peak 562

assign (resid 6 and name HE3) (resid 9 and name HB#)     5.000 3.2 0.0 volume 0.0372 peak 183

assign (resid 6 and name HE3) (resid 9 and name HD#)     3.400 1.6 0.0 volume 0.1592 peak 135

assign (resid 8 and name HE1) (resid 9 and name HA)     5.000 3.2 0.0 volume 0.024 peak 539

assign (resid 8 and name HE3) (resid 9 and name HB#)     5.000 3.2 0.0 volume 0.0303 peak 267

assign (resid 9 and name HD#) (resid 8 and name HZ2)     3.400 1.6 0.0 volume 0.1701 peak 648

assign (resid 9 and name HN) (resid 8 and name HA)     5.000 3.2 0.0 volume 0.03427 peak 653

assign (resid 9 and name HN) (resid 8 and name HB#)     3.400 1.6 0.0 volume 0.1444 peak 56

assign (resid 9 and name HN) (resid 8 and name HE3)     5.000 3.2 0.0 volume 0.0444 peak 104

assign (resid 8 and name HN) (resid 9 and name HN)     3.400 1.6 0.0 volume 0.224 peak 123

assign (resid 9 and name HB#) (resid 9 and name HB#)     2.800 1.0 0.0 volume 1.0035 peak 487

assign (resid 9 and name HD#) (resid 9 and name HB#)     3.400 1.6 0.0 volume 0.2399 peak 260

assign (resid 9 and name HN) (resid 9 and name HA)     3.400 1.6 0.0 volume 0.2657 peak 87

assign (resid 9 and name HN) (resid 9 and name HB#)     3.400 1.6 0.0 volume 0.273 peak 50

assign (resid 9 and name HN) (resid 9 and name HB#)     3.400 1.6 0.0 volume 0.2321 peak 55

assign (resid 10 and name HN) (resid 6 and name HA)     5.000 3.2 0.0 volume 0.038 peak 563

assign (resid 10 and name HD22) (resid 7 and name HB#)     5.000 3.2 0.0 volume 0.0284 peak 629

assign (resid 10 and name HN) (resid 7 and name HB#)     5.000 3.2 0.0 volume 0.0303 peak 628

assign (resid 8 and name HN) (resid 10 and name HB#)     5.000 3.2 0.0 volume 0.0281 peak 53

assign (resid 10 and name HN) (resid 8 and name HA)     5.000 3.2 0.0 volume 0.0539 peak 575

assign (resid 10 and name HN) (resid 8 and name HB#)     5.000 3.2 0.0 volume 0.0291 peak 630

assign (resid 10 and name HN) (resid 8 and name HE3)     5.000 3.2 0.0 volume 0.0313 peak 130

assign (resid 10 and name HN) (resid 8 and name HN)     5.000 3.2 0.0 volume 0.04877 peak 654

assign (resid 10 and name HN) (resid 9 and name HA)     2.800 1.0 0.0 volume 0.367 peak 148

assign (resid 10 and name HN) (resid 9 and name HB#)     5.000 3.2 0.0 volume 0.0836 peak 174

assign (resid 10 and name HN) (resid 9 and name HB#)     3.400 1.6 0.0 volume 0.1372 peak 171

assign (resid 10 and name HN) (resid 9 and name HD#)     5.000 3.2 0.0 volume 0.0917 peak 131

assign (resid 9 and name HN) (resid 10 and name HN)     2.800 1.0 0.0 volume 0.4469 peak 580

assign (resid 10 and name HD21) (resid 10 and name HA)     5.000 3.2 0.0 volume 0.0373 peak 382

assign (resid 10 and name HD21) (resid 10 and name HB#)     5.000 3.2 0.0 volume 0.0648 peak 367

assign (resid 10 and name HD22) (resid 10 and name HB#)     3.400 1.6 0.0 volume 0.132 peak 179

assign (resid 10 and name HD22) (resid 10 and name HB#)     3.400 1.6 0.0 volume 0.099 peak 178

assign (resid 10 and name HD22) (resid 10 and name HD21)     2.800 1.0 0.0 volume 2.077 peak 143

assign (resid 10 and name HN) (resid 10 and name HB#)     3.400 1.6 0.0 volume 0.2316 peak 176

assign (resid 10 and name HN) (resid 10 and name HB#)     3.400 1.6 0.0 volume 0.166 peak 175

assign (resid 10 and name HN) (resid 10 and name HD21)     5.000 3.2 0.0 volume 0.028 peak 632

assign (resid 6 and name HZ3) (resid 11 and name HG1#)     5.000 3.2 0.0 volume 0.0254 peak 360

assign (resid 7 and name HD22) (resid 11 and name HD1#)     5.000 3.2 0.0 volume 0.077 peak 219

assign (resid 7 and name HD22) (resid 11 and name HG2#)     5.000 3.2 0.0 volume 0.0384 peak 218

assign (resid 11 and name HB) (resid 8 and name HA)     5.000 3.2 0.0 volume 0.086 peak 402

assign (resid 8 and name HE3) (resid 11 and name HB)     5.000 3.2 0.0 volume 0.0336 peak 253

assign (resid 11 and name HD1#) (resid 8 and name HA)     5.000 3.2 0.0 volume 0.089 peak 409

assign (resid 8 and name HE3) (resid 11 and name HD1#)     5.000 3.2 0.0 volume 0.1405 peak 228

assign (resid 8 and name HD1) (resid 11 and name HG1#)     5.000 3.2 0.0 volume 0.0251 peak 333

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assign (resid 11 and name HN) (resid 8 and name HB#)     5.000 3.2 0.0 volume 0.0544 peak 636

assign (resid 11 and name HN) (resid 9 and name HA)     5.000 3.2 0.0 volume 0.0641 peak 554

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assign (resid 11 and name HN) (resid 10 and name HB#)     3.400 1.6 0.0 volume 0.1065 peak 42

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assign (resid 11 and name HN) (resid 10 and name HN)     3.400 1.6 0.0 volume 0.1633 peak 116

assign (resid 11 and name HB) (resid 11 and name HA)     2.800 1.0 0.0 volume 0.3107 peak 453

assign (resid 11 and name HD1#) (resid 11 and name HA)     3.400 1.6 0.0 volume 0.1961 peak 469

assign (resid 11 and name HB) (resid 11 and name HD1#)     3.400 1.6 0.0 volume 0.2677 peak 521

assign (resid 11 and name HG1#) (resid 11 and name HA)     3.400 1.6 0.0 volume 0.146 peak 460

assign (resid 11 and name HB) (resid 11 and name HG1#)     3.400 1.6 0.0 volume 0.1054 peak 509

assign (resid 11 and name HG1#) (resid 11 and name HA)     3.400 1.6 0.0 volume 0.1159 peak 458

assign (resid 11 and name HG1#) (resid 11 and name HG1#)     2.800 1.0 0.0 volume 0.7714 peak 513

assign (resid 11 and name HN) (resid 11 and name HA)     2.800 1.0 0.0 volume 0.2788 peak 68

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assign (resid 11 and name HN) (resid 11 and name HD1#)     5.000 3.2 0.0 volume 0.0896 peak 15

assign (resid 11 and name HN) (resid 11 and name HG1#)     3.400 1.6 0.0 volume 0.1362 peak 27

assign (resid 11 and name HN) (resid 11 and name HG1#)     3.400 1.6 0.0 volume 0.1816 peak 31

assign (resid 11 and name HN) (resid 11 and name HG2#)     3.400 1.6 0.0 volume 0.2892 peak 19

assign (resid 8 and name HE1) (resid 12 and name HG2#)     5.000 3.2 0.0 volume 0.0314 peak 7

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assign (resid 12 and name HN) (resid 9 and name HA)     5.000 3.2 0.0 volume 0.0436 peak 90

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assign (resid 12 and name HN) (resid 11 and name HA)     3.400 1.6 0.0 volume 0.1579 peak 66

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assign (resid 12 and name HN) (resid 11 and name HD1#)     5.000 3.2 0.0 volume 0.0351 peak 17

assign (resid 12 and name HN) (resid 11 and name HG1#)     5.000 3.2 0.0 volume 0.0343 peak 26

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assign (resid 11 and name HN) (resid 12 and name HN)     2.800 1.0 0.0 volume 0.3106 peak 119

assign (resid 12 and name HA) (resid 12 and name HB)     3.400 1.6 0.0 volume 0.2273 peak 449

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assign (resid 12 and name HG2#) (resid 12 and name HB)     2.800 1.0 0.0 volume 0.5957 peak 422

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assign (resid 13 and name HN) (resid 13 and name HB#)     2.800 1.0 0.0 volume 0.3411 peak 46

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assign (resid 14 and name HD1) (resid 14 and name HB#)     2.800 1.0 0.0 volume 0.341 peak 272

assign (resid 14 and name HE3) (resid 14 and name HA)     3.400 1.6 0.0 volume 0.1977 peak 287

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assign (resid 14 and name HE1) (resid 14 and name HE3)     5.000 3.2 0.0 volume 0.0265 peak 599

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assign (resid 15 and name HB#) (resid 12 and name HA)     3.400 1.6 0.0 volume 0.2423 peak 454

assign (resid 15 and name HD1#) (resid 12 and name HA)     3.400 1.6 0.0 volume 0.287 peak 462

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assign (resid 15 and name HG) (resid 12 and name HA)     5.000 3.2 0.0 volume 0.089 peak 456

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assign (resid 15 and name HN) (resid 14 and name HB#)     3.400 1.6 0.0 volume 0.2361 peak 59

assign (resid 15 and name HN) (resid 14 and name HD1)     5.000 3.2 0.0 volume 0.038 peak 633

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assign (resid 15 and name HB#) (resid 15 and name HA)     2.800 1.0 0.0 volume 0.3382 peak 438

assign (resid 15 and name HG) (resid 15 and name HA)     2.800 1.0 0.0 volume 0.3926 peak 430

assign (resid 15 and name HN) (resid 15 and name HA)     2.800 1.0 0.0 volume 0.2886 peak 80

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assign (resid 15 and name HN) (resid 15 and name HG)     3.400 1.6 0.0 volume 0.212 peak 32

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assign (resid 16 and name HB#) (resid 13 and name HA)     2.800 1.0 0.0 volume 0.3314 peak 582

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assign (resid 15 and name HD1#) (resid 16 and name HA)     5.000 3.2 0.0 volume 0.0501 peak 418

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assign (resid 16 and name HE3) (resid 15 and name HB#)     5.000 3.2 0.0 volume 0.0386 peak 255

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assign (resid 16 and name HH2) (resid 15 and name HD1#)     5.000 3.2 0.0 volume 0.0893 peak 239

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assign (resid 16 and name HN) (resid 15 and name HB#)     3.400 1.6 0.0 volume 0.1898 peak 40

assign (resid 16 and name HN) (resid 15 and name HD1#)     5.000 3.2 0.0 volume 0.0602 peak 204

assign (resid 16 and name HZ3) (resid 15 and name HB#)     5.000 3.2 0.0 volume 0.0278 peak 325

assign (resid 16 and name HB#) (resid 16 and name HA)     2.800 1.0 0.0 volume 0.6576 peak 445

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assign (resid 16 and name HE1) (resid 16 and name HB#)     5.000 3.2 0.0 volume 0.0262 peak 587

assign (resid 16 and name HE1) (resid 16 and name HD1)     2.800 1.0 0.0 volume 0.8912 peak 605

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assign (resid 16 and name HE1) (resid 16 and name HZ2)     2.800 1.0 0.0 volume 0.3053 peak 597

assign (resid 16 and name HZ2) (resid 16 and name HH2)     2.800 1.0 0.0 volume 0.9437 peak 300

assign (resid 16 and name HZ2) (resid 16 and name HZ3)     3.400 1.6 0.0 volume 0.2069 peak 302

assign (resid 17 and name HB#) (resid 14 and name HA)     5.000 3.2 0.0 volume 0.0809 peak 393

assign (resid 14 and name HD1) (resid 17 and name HB#)     5.000 3.2 0.0 volume 0.02658 peak 655

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assign (resid 17 and name HE#) (resid 14 and name HA)     5.000 3.2 0.0 volume 0.0243 peak 638

assign (resid 17 and name HN) (resid 14 and name HA)     5.000 3.2 0.0 volume 0.041 peak 578

assign (resid 15 and name HN) (resid 17 and name HN)     5.000 3.2 0.0 volume 0.0373 peak 111

assign (resid 16 and name HD1) (resid 17 and name HA)     5.000 3.2 0.0 volume 0.0408 peak 315

assign (resid 16 and name HB#) (resid 17 and name HB#)     5.000 3.2 0.0 volume 0.0428 peak 472

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assign (resid 16 and name HB#) (resid 17 and name HB#)     5.000 3.2 0.0 volume 0.0853 peak 471

assign (resid 16 and name HE3) (resid 17 and name HB#)     5.000 3.2 0.0 volume 0.0246 peak 620

assign (resid 16 and name HN) (resid 17 and name HD#)     5.000 3.2 0.0 volume 0.022 peak 625

assign (resid 17 and name HE#) (resid 16 and name HB#)     5.000 3.2 0.0 volume 0.0297 peak 373

assign (resid 17 and name HN) (resid 16 and name HB#)     3.400 1.6 0.0 volume 0.2698 peak 162

assign (resid 17 and name HN) (resid 16 and name HD1)     5.000 3.2 0.0 volume 0.0359 peak 132

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assign (resid 16 and name HN) (resid 17 and name HN)     2.800 1.0 0.0 volume 0.2776 peak 112

assign (resid 17 and name HB#) (resid 17 and name HB#)     2.800 1.0 0.0 volume 1.0476 peak 486

assign (resid 17 and name HD#) (resid 17 and name HB#)     2.800 1.0 0.0 volume 0.3922 peak 321

assign (resid 17 and name HD#) (resid 17 and name HB#)     2.800 1.0 0.0 volume 0.4149 peak 319

assign (resid 17 and name HE#) (resid 17 and name HA)     5.000 3.2 0.0 volume 0.0567 peak 378

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assign (resid 17 and name HE#) (resid 17 and name HB#)     5.000 3.2 0.0 volume 0.0509 peak 370

assign (resid 17 and name HD#) (resid 17 and name HE#)     2.800 1.0 0.0 volume 2.4281 peak 308

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assign (resid 17 and name HN) (resid 17 and name HB#)     2.800 1.0 0.0 volume 0.2994 peak 169

assign (resid 17 and name HN) (resid 17 and name HD#)     3.400 1.6 0.0 volume 0.1628 peak 134

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assign (resid 18 and name HN) (resid 17 and name HD#)     5.000 3.2 0.0 volume 0.0722 peak 133

assign (resid 18 and name HB) (resid 18 and name HA)     2.800 1.0 0.0 volume 0.3506 peak 455

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assign (resid 18 and name HG1#) (resid 18 and name HD1#)     3.400 1.6 0.0 volume 0.2606 peak 529

assign (resid 18 and name HG1#) (resid 18 and name HA)     3.400 1.6 0.0 volume 0.1169 peak 452

assign (resid 18 and name HB) (resid 18 and name HG1#)     3.400 1.6 0.0 volume 0.2546 peak 503

assign (resid 18 and name HG1#) (resid 18 and name HD1#)     3.400 1.6 0.0 volume 0.4382 peak 520

assign (resid 18 and name HG1#) (resid 18 and name HG1#)     2.800 1.0 0.0 volume 0.9933 peak 514

assign (resid 18 and name HG1#) (resid 18 and name HG2#)     3.400 1.6 0.0 volume 0.2146 peak 522

assign (resid 18 and name HN) (resid 18 and name HA)     2.800 1.0 0.0 volume 0.3329 peak 160

assign (resid 18 and name HN) (resid 18 and name HB)     2.800 1.0 0.0 volume 0.3646 peak 184

assign (resid 18 and name HN) (resid 18 and name HD1#)     5.000 3.2 0.0 volume 0.1087 peak 208

assign (resid 18 and name HN) (resid 18 and name HG1#)     3.400 1.6 0.0 volume 0.1835 peak 199

assign (resid 18 and name HN) (resid 18 and name HG1#)     3.400 1.6 0.0 volume 0.2126 peak 189

assign (resid 19 and name HE#) (resid 15 and name HD2#)     5.000 3.2 0.0 volume 0.0497 peak 498

assign (resid 19 and name HG#) (resid 15 and name HD2#)     5.000 3.2 0.0 volume 0.0904 peak 532

assign (resid 19 and name HN) (resid 15 and name HD2#)     5.000 3.2 0.0 volume 0.0439 peak 210

assign (resid 19 and name HB1) (resid 16 and name HA)     5.000 3.2 0.0 volume 0.0643 peak 434

assign (resid 19 and name HB2) (resid 16 and name HA)     5.000 3.2 0.0 volume 0.077 peak 435

assign (resid 18 and name HD1#) (resid 19 and name HA)     5.000 3.2 0.0 volume 0.048 peak 413

assign (resid 19 and name HN) (resid 18 and name HA)     3.400 1.6 0.0 volume 0.2193 peak 159

assign (resid 19 and name HN) (resid 18 and name HD1#)     5.000 3.2 0.0 volume 0.0518 peak 211

assign (resid 19 and name HN) (resid 18 and name HG1#)     5.000 3.2 0.0 volume 0.0896 peak 188

assign (resid 19 and name HB1) (resid 19 and name HA)     2.800 1.0 0.0 volume 0.3187 peak 436

assign (resid 19 and name HB2) (resid 19 and name HA)     2.800 1.0 0.0 volume 0.2838 peak 437

assign (resid 19 and name HB2) (resid 19 and name HB1)     2.800 1.0 0.0 volume 1.754 peak 501

assign (resid 19 and name HD#) (resid 19 and name HA)     5.000 3.2 0.0 volume 0.0762 peak 429

assign (resid 19 and name HD#) (resid 19 and name HA)     5.000 3.2 0.0 volume 0.0658 peak 431

assign (resid 19 and name HG#) (resid 19 and name HA)     3.400 1.6 0.0 volume 0.1245 peak 425

assign (resid 19 and name HB1) (resid 19 and name HG#)     3.400 1.6 0.0 volume 0.1957 peak 507

assign (resid 19 and name HB2) (resid 19 and name HG#)     3.400 1.6 0.0 volume 0.1665 peak 506

assign (resid 19 and name HE#) (resid 19 and name HG#)     5.000 3.2 0.0 volume 0.0755 peak 494

assign (resid 19 and name HE#) (resid 19 and name HG#)     5.000 3.2 0.0 volume 0.0769 peak 493

assign (resid 19 and name HN) (resid 19 and name HA)     2.800 1.0 0.0 volume 0.4081 peak 155

assign (resid 19 and name HN) (resid 19 and name HB1)     2.800 1.0 0.0 volume 0.3701 peak 187

assign (resid 19 and name HN) (resid 19 and name HD#)     5.000 3.2 0.0 volume 0.0372 peak 191

assign (resid 19 and name HN) (resid 19 and name HG#)     3.400 1.6 0.0 volume 0.1034 peak 195

assign (resid 19 and name HN) (resid 19 and name HG#)     3.400 1.6 0.0 volume 0.1232 peak 194

assign (resid 19 and name HZ1) (resid 19 and name HE#)     5.000 3.2 0.0 volume 0.0846 peak 177



!restraints due to amidated C-terminus - not in noe.xpk Sept 12/00

assign (resid 19 and name HN1) (resid 19 and name HA)     5.000 3.2 0.0 volume 0.0656 peak 313

assign (resid 19 and name HN2) (resid 19 and name HA)     5.000 3.2 0.0 volume 0.1012 peak 312

assign (resid 19 and name HN2) (resid 19 and name HB#)     5.000 3.2 0.0 volume 0.0556 peak 324

assign (resid 19 and name HN1) (resid 19 and name HB#)     5.000 3.2 0.0 volume 0.0410 peak 328

assign (resid 19 and name HN1) (resid 19 and name HB#)     5.000 3.2 0.0 volume 0.0346 peak 322

assign (resid 19 and name HN2) (resid 19 and name HB#)     5.000 3.2 0.0 volume 0.0529 peak 323

assign (resid 19 and name HN2) (resid 18 and name HA)     5.000 3.2 0.0 volume 0.0360 peak 317

assign (resid 19 and name HN2) (resid 17 and name HA)    5.000 3.2 0.0  volume 0.0438 peak 314

assign (resid 19 and name HN1) (resid 19 and name HA)    5.000 3.2 0.0  volume 0.0656 peak 313

assign (resid 19 and name HN2) (resid 19 and name HA)     5.000 3.2 0.0 volume 0.1012 peak 312

assign (resid 19 and name HN2) (resid 16 and name HA)     5.000 3.2 0.0 volume 0.0380 peak 641

assign (resid 19 and name HN1) (resid 16 and name HA)     5.000 3.2 0.0 volume 0.02617 peak 644

assign (resid 19 and name HN1) (resid 17 and name HE#)     5.000 3.2 0.0 volume 0.09290 peak 310


assign (resid 19 and name HN) (resid 19 and name HN2)
6 6 0 volume 0.2313 peak 137
or (resid 17 and name HN) (resid 19 and name HN2)
or (resid 19 and name HZ#) (resid 19 and name HN2) 

assign (resid 19 and name HN) (resid 19 and name HN1)
6 6 0 volume 0.1260 peak 136
or (resid 17 and name HN) (resid 19 and name HN1)
or (resid 19 and name HZ#) (resid 19 and name HN1) 

assign (resid 19 and name HN2) (resid 15 and name HD1#)
6 6 0 volume 0.0480 peak 341
or (resid 19 and name HN2) (resid 18 and name HG2#) 
or (resid 19 and name HN1) (resid 18 and name HG2#)
or (resid 19 and name HN1) (resid 15 and name HD1#) 


assign (resid 2 and name HZ2) (resid 2 and name HH2)
6 6 0 volume 1.4422 peak 298
or (resid 6 and name HZ2) (resid 6 and name HH2)

assign (resid 2 and name HH2) (resid 3 and name HB#)
6 6 0 volume 0.0261 peak 359
or (resid 6 and name HH2) (resid 3 and name HB#)

assign (resid 4 and name HN) (resid 1 and name HA)
6 6 0 volume 0.0803 peak 79
or (resid 8 and name HN) (resid 5 and name HA)

assign (resid 4 and name HN) (resid 4 and name HA)
6 6 0 volume 0.3977 peak 85
or (resid 8 and name HN) (resid 4 and name HA)

assign (resid 5 and name HD2#) (resid 1 and name HA)
6 6 0 volume 0.44 peak 411
or (resid 5 and name HD2#) (resid 5 and name HA)

assign (resid 5 and name HG) (resid 1 and name HA)
6 6 0 volume 0.4054 peak 426
or (resid 5 and name HG) (resid 5 and name HA)

assign (resid 2 and name HB#) (resid 5 and name HA)
6 6 0 volume 0.1065 peak 447
or (resid 2 and name HB#) (resid 1 and name HA)

assign (resid 2 and name HD1) (resid 5 and name HA)
6 6 0 volume 0.0756 peak 277
or (resid 2 and name HD1) (resid 1 and name HA)

assign (resid 2 and name HB#) (resid 5 and name HD1#)
6 6 0 volume 0.1179 peak 481
or (resid 6 and name HB#) (resid 5 and name HD1#)

assign (resid 2 and name HB#) (resid 5 and name HG)
6 6 0 volume 0.0337 peak 476
or (resid 6 and name HB#) (resid 5 and name HG)

assign (resid 4 and name HN) (resid 5 and name HD1#)
6 6 0 volume 0.053 peak 16
or (resid 8 and name HN) (resid 5 and name HD1#)
or (resid 8 and name HN) (resid 11 and name HD1#)

assign (resid 5 and name HD1#) (resid 5 and name HA)
6 6 0 volume 0.2826 peak 412
or (resid 5 and name HD1#) (resid 1 and name HA)

assign (resid 5 and name HN) (resid 5 and name HA)
6 6 0 volume 0.3959 peak 77
or (resid 5 and name HN) (resid 1 and name HA)
or (resid 16 and name HN) (resid 15 and name HA)

assign (resid 6 and name HB1) (resid 3 and name HA)
6 6 0 volume 0.0536 peak 446
or (resid 2 and name HB2) (resid 3 and name HA)

assign (resid 4 and name HN) (resid 6 and name HB1)
6 6 0 volume 0.0493 peak 60
or (resid 4 and name HN) (resid 2 and name HB2)

assign (resid 6 and name HZ3) (resid 5 and name HD1#)
6 6 0 volume 0.1084 peak 348
or (resid 8 and name HZ3) (resid 11 and name HD1#)
or (resid 6 and name HZ3) (resid 11 and name HD1#)

assign (resid 6 and name HD1) (resid 6 and name HA)
6 6 0 volume 0.1165 peak 285
or (resid 6 and name HD1) (resid 7 and name HA)

assign (resid 6 and name HE3) (resid 6 and name HA)
6 6 0 volume 0.4982 peak 145
or (resid 13 and name HD22) (resid 13 and name HA)
or (resid 6 and name HE3) (resid 7 and name HA)
or (resid 7 and name HD22) (resid 7 and name HA)
or (resid 13 and name HD22) (resid 10 and name HA)

assign (resid 6 and name HZ3) (resid 6 and name HA)
6 6 0 volume 0.0491 peak 383
or (resid 6 and name HZ3) (resid 7 and name HA)
or (resid 7 and name HD21) (resid 6 and name HA)
or (resid 7 and name HD21) (resid 7 and name HA)
or (resid 2 and name HZ3) (resid 6 and name HA)

assign (resid 7 and name HD22) (resid 7 and name HD21)
6 6 0 volume 3.477 peak 140
or (resid 6 and name HE3) (resid 6 and name HZ3)

assign (resid 7 and name HN) (resid 7 and name HD22)
6 6 0 volume 0.0873 peak 108
or (resid 7 and name HN) (resid 6 and name HE3)

assign (resid 8 and name HB#) (resid 5 and name HD1#)
6 6 0 volume 0.0546 peak 483
or (resid 8 and name HB#) (resid 11 and name HD1#)

assign (resid 8 and name HD1) (resid 5 and name HA)
6 6 0 volume 0.1971 peak 276
or (resid 9 and name HD1) (resid 5 and name HA)

assign (resid 8 and name HN) (resid 6 and name HN)
6 6 0 volume 0.039 peak 109
or (resid 4 and name HN) (resid 6 and name HN)

assign (resid 8 and name HN) (resid 7 and name HB#)
6 6 0 volume 0.0937 peak 48
or (resid 4 and name HN) (resid 7 and name HB#)

assign (resid 8 and name HB#) (resid 8 and name HA)
6 6 0 volume 0.4823 peak 391
or (resid 8 and name HB#) (resid 9 and name HA)

assign (resid 8 and name HD1) (resid 8 and name HB#)
6 6 0 volume 0.3487 peak 263
or (resid 9 and name HD1) (resid 8 and name HB#)

assign (resid 8 and name HE3) (resid 8 and name HA)
6 6 0 volume 0.2788 peak 283
or (resid 8 and name HE3) (resid 9 and name HA)

assign (resid 8 and name HD1) (resid 8 and name HE3)
6 6 0 volume 0.2443 peak 649
or (resid 16 and name HH2) (resid 8 and name HE3)
or (resid 9 and name HD2) (resid 8 and name HE3)
or (resid 9 and name HZ) (resid 2 and name HD1)

assign (resid 8 and name HN) (resid 8 and name HD1)
6 6 0 volume 0.1304 peak 101
or (resid 8 and name HN) (resid 9 and name HD1)

assign (resid 8 and name HN) (resid 8 and name HE3)
6 6 0 volume 0.0382 peak 102
or (resid 4 and name HN) (resid 2 and name HD1)

assign (resid 8 and name HH2) (resid 8 and name HZ3)
6 6 0 volume 1.8642 peak 306
or (resid 6 and name HH2) (resid 6 and name HZ3)

assign (resid 6 and name HE3) (resid 9 and name HB#)
6 6 0 volume 0.0379 peak 168
or (resid 13 and name HD22) (resid 9 and name HB#)

assign (resid 9 and name HB#) (resid 7 and name HA)
6 6 0 volume 0.0762 peak 396
or (resid 9 and name HB#) (resid 10 and name HA)
or (resid 9 and name HB#) (resid 6 and name HA)

assign (resid 9 and name HN) (resid 7 and name HA)
6 6 0 volume 0.1291 peak 551
or (resid 9 and name HN) (resid 6 and name HA)

assign (resid 9 and name HN) (resid 8 and name HD1)
6 6 0 volume 0.1534 peak 99
or (resid 9 and name HN) (resid 9 and name HD1)

assign (resid 8 and name HE1) (resid 9 and name HZ)
6 6 0 volume 0.836 peak 593
or (resid 8 and name HE1) (resid 14 and name HD1)
or (resid 8 and name HE1) (resid 8 and name HD1)
or (resid 8 and name HE1) (resid 9 and name HD1)

assign (resid 9 and name HB#) (resid 9 and name HA)
6 6 0 volume 0.2272 peak 394
or (resid 9 and name HB#) (resid 8 and name HA)

assign (resid 9 and name HB#) (resid 9 and name HA)
6 6 0 volume 0.2811 peak 395
or (resid 9 and name HB#) (resid 8 and name HA)

assign (resid 9 and name HD#) (resid 9 and name HA)
6 6 0 volume 0.3484 peak 282
or (resid 8 and name HD#) (resid 9 and name HA)

assign (resid 9 and name HD#) (resid 9 and name HB#)
6 6 0 volume 0.2687 peak 262
or (resid 8 and name HD#) (resid 9 and name HB#)

assign (resid 9 and name HD#) (resid 9 and name HE#)
6 6 0 volume 1.9025 peak 303
or (resid 8 and name HD#) (resid 9 and name HE#)

assign (resid 10 and name HN) (resid 6 and name HE3)
6 6 0 volume 0.0345 peak 127
or (resid 10 and name HN) (resid 13 and name HD22)

assign (resid 10 and name HB#) (resid 7 and name HA)
6 6 0 volume 0.4518 peak 558
or (resid 10 and name HB#) (resid 10 and name HA)

assign (resid 10 and name HN) (resid 7 and name HA)
6 6 0 volume 0.3152 peak 147
or (resid 10 and name HN) (resid 10 and name HA)

assign (resid 10 and name HB#) (resid 10 and name HB#)
6 6 0 volume 1.0654 peak 491
or (resid 10 and name HB#) (resid 13 and name HB#)

assign (resid 10 and name HD21) (resid 10 and name HB#)
6 6 0 volume 0.091 peak 366
or (resid 10 and name HD21) (resid 13 and name HB#)

assign (resid 6 and name HD1) (resid 11 and name HD1#)
6 6 0 volume 0.0289 peak 227
or (resid 6 and name HD1) (resid 5 and name HD1#)

assign (resid 6 and name HZ3) (resid 11 and name HG2#)
6 6 0 volume 0.0815 peak 349
or (resid 8 and name HZ3) (resid 11 and name HG2#)
or (resid 8 and name HZ3) (resid 15 and name HD2#)

assign (resid 11 and name HB) (resid 7 and name HA)
6 6 0 volume 0.0422 peak 577
or (resid 11 and name HB) (resid 10 and name HA)
or (resid 15 and name HB2) (resid 14 and name HA)
or (resid 15 and name HB1) (resid 14 and name HA)

assign (resid 11 and name HG2#) (resid 7 and name HA)
6 6 0 volume 0.0639 peak 406
or (resid 11 and name HG2#) (resid 10 and name HA)
or (resid 15 and name HD2#) (resid 7 and name HA)
or (resid 15 and name HD2#) (resid 10 and name HA)

assign (resid 11 and name HN) (resid 7 and name HA)
6 6 0 volume 0.5491 peak 94
or (resid 11 and name HN) (resid 10 and name HA)

assign (resid 11 and name HG2#) (resid 8 and name HA)
6 6 0 volume 0.0564 peak 408
or (resid 15 and name HD2#) (resid 8 and name HA)

assign (resid 8 and name HE3) (resid 11 and name HG2#)
6 6 0 volume 0.0748 peak 231
or (resid 14 and name HZ2) (resid 11 and name HG2#)
or (resid 14 and name HZ2) (resid 15 and name HD2#)

assign (resid 8 and name HH2) (resid 11 and name HG2#)
6 6 0 volume 0.0496 peak 342
or (resid 8 and name HH2) (resid 15 and name HD2#)
or (resid 16 and name HZ3) (resid 15 and name HD2#)

assign (resid 11 and name HN) (resid 8 and name HD1)
6 6 0 volume 0.0619 peak 634
or (resid 11 and name HN) (resid 9 and name HD1)
or (resid 11 and name HN) (resid 14 and name HD1)

assign (resid 11 and name HG2#) (resid 11 and name HA)
6 6 0 volume 0.4597 peak 466
or (resid 15 and name HD2#) (resid 11 and name HA)

assign (resid 12 and name HN) (resid 9 and name HA)
6 6 0 volume 0.0367 peak 552
or (resid 12 and name HN) (resid 8 and name HA)

assign (resid 11 and name HD1#) (resid 12 and name HA)
6 6 0 volume 0.0459 peak 468
or (resid 5 and name HD1#) (resid 4 and name HB1)

assign (resid 11 and name HG2#) (resid 12 and name HA)
6 6 0 volume 0.1832 peak 465
or (resid 15 and name HD2#) (resid 12 and name HA)

assign (resid 11 and name HG2#) (resid 12 and name HB)
6 6 0 volume 0.073 peak 416
or (resid 15 and name HD2#) (resid 19 and name HA)
or (resid 15 and name HD2#) (resid 12 and name HB)

assign (resid 12 and name HG2#) (resid 11 and name HD1#)
6 6 0 volume 0.1508 peak 535
or (resid 12 and name HG2#) (resid 5 and name HD1#)

assign (resid 12 and name HG2#) (resid 11 and name HG2#)
6 6 0 volume 0.3183 peak 534
or (resid 12 and name HG2#) (resid 15 and name HD2#)

assign (resid 12 and name HN) (resid 11 and name HG2#)
6 6 0 volume 0.2573 peak 18
or (resid 12 and name HN) (resid 15 and name HD2#)

assign (resid 13 and name HB#) (resid 10 and name HA)
6 6 0 volume 0.3573 peak 400
or (resid 10 and name HB#) (resid 7 and name HA)
or (resid 10 and name HB#) (resid 10 and name HA)

assign (resid 13 and name HN) (resid 11 and name HG2#)
6 6 0 volume 0.0741 peak 206
or (resid 13 and name HN) (resid 15 and name HD2#)

assign (resid 13 and name HN) (resid 12 and name HA)
6 6 0 volume 0.2363 peak 74
or (resid 16 and name HN) (resid 12 and name HA)

assign (resid 13 and name HB#) (resid 13 and name HA)
6 6 0 volume 0.313 peak 401
or (resid 10 and name HB#) (resid 13 and name HA)
or (resid 13 and name HB#) (resid 14 and name HA)

assign (resid 13 and name HB#) (resid 13 and name HA)
6 6 0 volume 0.3778 peak 397
or (resid 13 and name HB#) (resid 14 and name HA)

assign (resid 13 and name HD21) (resid 13 and name HB#)
6 6 0 volume 0.0688 peak 364
or (resid 13 and name HD21) (resid 10 and name HB#)

assign (resid 13 and name HN) (resid 13 and name HA)
6 6 0 volume 0.3968 peak 91
or (resid 16 and name HN) (resid 13 and name HA)
or (resid 16 and name HN) (resid 14 and name HA)

assign (resid 13 and name HN) (resid 13 and name HB#)
6 6 0 volume 0.3032 peak 45
or (resid 13 and name HN) (resid 10 and name HB#)

assign (resid 14 and name HD1) (resid 10 and name HB#)
6 6 0 volume 0.0672 peak 259
or (resid 9 and name HD2) (resid 10 and name HB#)

assign (resid 14 and name HB#) (resid 11 and name HG2#)
6 6 0 volume 0.0829 peak 477
or (resid 14 and name HB#) (resid 15 and name HD2#)
or (resid 16 and name HB#) (resid 15 and name HD2#)

assign (resid 14 and name HE3) (resid 11 and name HD1#)
6 6 0 volume 0.0872 peak 229
or (resid 6 and name HZ2) (resid 11 and name HD1#)
or (resid 2 and name HZ2) (resid 5 and name HD1#)

assign (resid 14 and name HH2) (resid 11 and name HG2#)
6 6 0 volume 0.034 peak 339
or (resid 14 and name HH2) (resid 15 and name HD2#)

assign (resid 14 and name HN) (resid 11 and name HG2#)
6 6 0 volume 0.07 peak 205
or (resid 14 and name HN) (resid 15 and name HD2#)

assign (resid 14 and name HB#) (resid 14 and name HA)
6 6 0 volume 0.6822 peak 389
or (resid 6 and name HB#) (resid 6 and name HA)

assign (resid 14 and name HD1) (resid 14 and name HA)
6 6 0 volume 0.4909 peak 284
or (resid 9 and name HD1) (resid 6 and name HA)

assign (resid 14 and name HE1) (resid 14 and name HD1)
6 6 0 volume 0.9413 peak 594
or (resid 14 and name HE1) (resid 9 and name HZ)
or (resid 14 and name HE1) (resid 16 and name HH2)
or (resid 14 and name HE1) (resid 8 and name HD1)
or (resid 14 and name HE1) (resid 9 and name HD1)

assign (resid 14 and name HN) (resid 14 and name HA)
6 6 0 volume 0.543 peak 92
or (resid 14 and name HN) (resid 13 and name HA)

assign (resid 14 and name HN) (resid 14 and name HB#)
6 6 0 volume 0.5823 peak 61
or (resid 14 and name HN) (resid 16 and name HB#)

assign (resid 14 and name HE1) (resid 14 and name HZ2)
6 6 0 volume 0.3291 peak 596
or (resid 14 and name HE1) (resid 8 and name HE3)

assign (resid 15 and name HB#) (resid 11 and name HG2#)
6 6 0 volume 1.1046 peak 519
or (resid 15 and name HB#) (resid 15 and name HD2#)
or (resid 11 and name H#) (resid 11 and name HG2#)
or (resid 11 and name H#) (resid 15 and name HD2#)

assign (resid 15 and name HG) (resid 11 and name HD1#)
6 6 0 volume 0.4724 peak 526
or (resid 5 and name HB2) (resid 5 and name HD1#)

assign (resid 14 and name HB#) (resid 15 and name HD1#)
6 6 0 volume 0.0471 peak 479
or (resid 16 and name HB#) (resid 15 and name HD1#)

assign (resid 14 and name HZ3) (resid 15 and name HD1#)
6 6 0 volume 0.0642 peak 353
or (resid 14 and name HZ3) (resid 18 and name HG2#)

assign (resid 14 and name HE1) (resid 15 and name HD2#)
6 6 0 volume 0.0259 peak 542
or (resid 14 and name HE1) (resid 11 and name HG2#)

assign (resid 14 and name HZ3) (resid 15 and name HD2#)
6 6 0 volume 0.1044 peak 350
or (resid 14 and name HZ3) (resid 11 and name HG2#)

assign (resid 15 and name HN) (resid 14 and name HA)
6 6 0 volume 0.1464 peak 93
or (resid 15 and name HN) (resid 13 and name HA)

assign (resid 15 and name HD1#) (resid 15 and name HA)
6 6 0 volume 0.3777 peak 414
or (resid 18 and name HG2#) (resid 15 and name HA)

assign (resid 15 and name HB#) (resid 15 and name HD1#)
6 6 0 volume 0.9264 peak 518
or (resid 15 and name HB#) (resid 18 and name HG2#)

assign (resid 15 and name HD2#) (resid 15 and name HA)
6 6 0 volume 0.7566 peak 420
or (resid 11 and name HG2#) (resid 15 and name HA)
or (resid 11 and name HG2#) (resid 5 and name HA)

assign (resid 15 and name HD1#) (resid 15 and name HD2#)
6 6 0 volume 4.0864 peak 536
or (resid 15 and name HD1#) (resid 11 and name HG2#)
or (resid 18 and name HG2#) (resid 15 and name HD2#)

assign (resid 15 and name HB#) (resid 15 and name HG)
6 6 0 volume 1.2764 peak 505
or (resid 11 and name H#) (resid 15 and name HG)
or (resid 19 and name HB#) (resid 15 and name HG)

assign (resid 15 and name HG) (resid 15 and name HD1#)
6 6 0 volume 0.4281 peak 523
or (resid 15 and name HG) (resid 18 and name HG2#)

assign (resid 15 and name HG) (resid 15 and name HD2#)
6 6 0 volume 0.4195 peak 524
or (resid 15 and name HG) (resid 11 and name HG2#)
or (resid 11 and name HG12) (resid 15 and name HD2#)
or (resid 11 and name HG12) (resid 11 and name HG2#)

assign (resid 15 and name HN) (resid 15 and name HD2#)
6 6 0 volume 0.1965 peak 20
or (resid 15 and name HN) (resid 11 and name HG2#)

assign (resid 14 and name HN) (resid 16 and name HN)
6 6 0 volume 0.8545 peak 556
or (resid 14 and name HN) (resid 13 and name HN)

assign (resid 16 and name HN) (resid 15 and name HG)
6 6 0 volume 0.1359 peak 196
or (resid 13 and name HN) (resid 15 and name HG)

assign (resid 15 and name HN) (resid 16 and name HN)
6 6 0 volume 0.2866 peak 117
or (resid 15 and name HN) (resid 13 and name HN)

assign (resid 16 and name HN) (resid 16 and name HB#)
6 6 0 volume 0.7773 peak 62
or (resid 5 and name HN) (resid 2 and name HB#)
or (resid 16 and name HN) (resid 14 and name HB#)

assign (resid 16 and name HE3) (resid 16 and name HZ3)
6 6 0 volume 0.9603 peak 297
or (resid 16 and name HE3) (resid 8 and name HH2)

assign (resid 16 and name HH2) (resid 16 and name HZ3)
6 6 0 volume 0.9809 peak 299
or (resid 9 and name HD1) (resid 2 and name HH2)

assign (resid 17 and name HD#) (resid 11 and name HG2#)
6 6 0 volume 0.0324 peak 345
or (resid 17 and name HD#) (resid 15 and name HD2#)

assign (resid 17 and name HB#) (resid 14 and name HA)
6 6 0 volume 0.1732 peak 392
or (resid 9 and name HB#) (resid 6 and name HA)

assign (resid 17 and name HD#) (resid 16 and name HB#)
6 6 0 volume 0.0561 peak 320
or (resid 17 and name HD#) (resid 14 and name HB#)

assign (resid 17 and name HN) (resid 16 and name HA)
6 6 0 volume 0.168 peak 152
or (resid 19 and name HN) (resid 16 and name HA)

assign (resid 17 and name HB#) (resid 17 and name HA)
6 6 0 volume 0.3318 peak 443
or (resid 17 and name HB#) (resid 15 and name HA)

assign (resid 17 and name HB#) (resid 17 and name HA)
6 6 0 volume 0.2958 peak 442
or (resid 9 and name HB#) (resid 5 and name HA)

assign (resid 17 and name HD#) (resid 17 and name HA)
6 6 0 volume 0.4284 peak 624
or (resid 17 and name HD#) (resid 15 and name HA)

assign (resid 17 and name HN) (resid 17 and name HA)
6 6 0 volume 0.3558 peak 156
or (resid 17 and name HN) (resid 15 and name HA)
or (resid 19 and name HN) (resid 17 and name HA)
or (resid 19 and name HN) (resid 15 and name HA)

assign (resid 18 and name HB) (resid 15 and name HA)
6 6 0 volume 0.1802 peak 440
or (resid 18 and name HB) (resid 17 and name HA)

assign (resid 18 and name HN) (resid 15 and name HD2#)
6 6 0 volume 0.0319 peak 209
or (resid 18 and name HN) (resid 11 and name HG2#)

assign (resid 18 and name HG1#) (resid 17 and name HA)
6 6 0 volume 0.1721 peak 423
or (resid 1 and name HG#) (resid 5 and name HA)
or (resid 18 and name HG1#) (resid 15 and name HA)
or (resid 1 and name HG#) (resid 1 and name HA)

assign (resid 17 and name HB#) (resid 18 and name HG2#)
6 6 0 volume 0.0378 peak 500
or (resid 17 and name HB#) (resid 15 and name HD1#)

assign (resid 17 and name HB#) (resid 18 and name HG2#)
6 6 0 volume 0.0422 peak 485
or (resid 17 and name HB#) (resid 15 and name HD1#)
or (resid 9 and name HB#) (resid 15 and name HD1#)

assign (resid 18 and name HN) (resid 17 and name HA)
6 6 0 volume 0.1981 peak 158
or (resid 18 and name HN) (resid 15 and name HA)

assign (resid 18 and name HN) (resid 17 and name HN)
6 6 0 volume 0.643 peak 125
or (resid 18 and name HN) (resid 19 and name HN)

assign (resid 18 and name HG2#) (resid 18 and name HA)
6 6 0 volume 0.5505 peak 463
or (resid 15 and name HD1#) (resid 18 and name HA)

assign (resid 18 and name HB) (resid 18 and name HG2#)
6 6 0 volume 0.6423 peak 515
or (resid 18 and name HB) (resid 15 and name HD1#)

assign (resid 18 and name HG1#) (resid 18 and name HG2#)
6 6 0 volume 0.3442 peak 528
or (resid 18 and name HG1#) (resid 15 and name HD1#)

assign (resid 18 and name HN) (resid 18 and name HG2#)
6 6 0 volume 0.259 peak 207
or (resid 18 and name HN) (resid 15 and name HD1#)

assign (resid 15 and name HD1#) (resid 19 and name HA)
6 6 0 volume 0.1688 peak 415
or (resid 18 and name HG2#) (resid 19 and name HA)
or (resid 15 and name HD1#) (resid 12 and name HB)

assign (resid 19 and name HE#) (resid 15 and name HB#)
6 6 0 volume 0.0499 peak 492
or (resid 19 and name HE#) (resid 19 and name HB#)

assign (resid 19 and name HE#) (resid 15 and name HD1#)
6 6 0 volume 0.0538 peak 497
or (resid 19 and name HE#) (resid 18 and name HG2#)

assign (resid 19 and name HG#) (resid 18 and name HG2#)
6 6 0 volume 0.1141 peak 531
or (resid 19 and name HG#) (resid 15 and name HD1#)

assign (resid 19 and name HN) (resid 18 and name HB)
6 6 0 volume 0.2122 peak 185
or (resid 17 and name HN) (resid 18 and name HB)

assign (resid 19 and name HN) (resid 18 and name HG1#)
6 6 0 volume 0.0569 peak 198
or (resid 17 and name HN) (resid 18 and name HG1#)

assign (resid 19 and name HN) (resid 18 and name HG2#)
6 6 0 volume 0.2121 peak 212
or (resid 19 and name HN) (resid 15 and name HD1#)

assign (resid 19 and name HE#) (resid 19 and name HA)
6 6 0 volume 0.0301 peak 444
or (resid 10 and name HB#) (resid 12 and name HB)

assign (resid 19 and name HD#) (resid 19 and name HG#)
6 6 0 volume 0.392 peak 511
or (resid 1 and name HD#) (resid 3 and name HB#)

assign (resid 19 and name HG#) (resid 19 and name HA)
6 6 0 volume 0.1107 peak 427
or (resid 11 and name HG1#) (resid 12 and name HB)

assign (resid 19 and name HN) (resid 19 and name HB2)
6 6 0 volume 0.2484 peak 186
or (resid 19 and name HN) (resid 15 and name HB2)


  Entry H atom name         Submitted Coord H atom name
    1   1H    LYS   1          HT1       LYS   1  16.922  -0.927   4.612
    2   2H    LYS   1          HT2       LYS   1  15.292  -0.512   4.792
    3   3H    LYS   1          HT3       LYS   1  16.493   0.448   5.499
    4    HA   LYS   1           HA       LYS   1  17.013   1.503   3.604
    5   1HB   LYS   1          HB2       LYS   1  16.788   0.355   1.370
    6   2HB   LYS   1          HB1       LYS   1  17.897  -0.416   2.492
    7   1HG   LYS   1          HG2       LYS   1  16.663  -2.285   2.637
    8   2HG   LYS   1          HG1       LYS   1  15.133  -1.407   2.585
    9   1HD   LYS   1          HD2       LYS   1  15.314  -2.750   0.601
   10   2HD   LYS   1          HD1       LYS   1  15.488  -1.053   0.148
   11   1HE   LYS   1          HE2       LYS   1  17.266  -1.847  -1.003
   12   2HE   LYS   1          HE1       LYS   1  18.064  -1.668   0.559
   13   1HZ   LYS   1          HZ1       LYS   1  17.740  -3.973   1.012
   14   2HZ   LYS   1          HZ2       LYS   1  18.441  -3.845  -0.523
   15   3HZ   LYS   1          HZ3       LYS   1  16.790  -4.181  -0.373
   16    H    TRP   2           HN       TRP   2  15.612   1.814   1.267
   17    HA   TRP   2           HA       TRP   2  13.234   3.062   2.179
   18   1HB   TRP   2          HB2       TRP   2  12.852   3.549  -0.240
   19   2HB   TRP   2          HB1       TRP   2  14.441   4.035   0.338
   20    HD1  TRP   2           HD1      TRP   2  16.544   2.886  -0.747
   21    HE1  TRP   2           HE1      TRP   2  16.853   1.312  -2.760
   22    HE3  TRP   2           HE3      TRP   2  11.662   1.565  -1.511
   23    HZ2  TRP   2           HZ2      TRP   2  15.244  -0.276  -4.446
   24    HZ3  TRP   2           HZ3      TRP   2  11.134   0.014  -3.345
   25    HH2  TRP   2           HH2      TRP   2  12.889  -0.887  -4.782
   26    H    ALA   3           HN       ALA   3  13.723  -0.105   1.879
   27    HA   ALA   3           HA       ALA   3  11.541  -0.998   0.310
   28   1HB   ALA   3          HB1       ALA   3  12.199  -2.855   2.401
   29   2HB   ALA   3          HB2       ALA   3  13.666  -2.179   1.693
   30   3HB   ALA   3          HB3       ALA   3  12.477  -2.979   0.663
   31    H    SER   4           HN       SER   4  11.333   0.868   2.928
   32    HA   SER   4           HA       SER   4   9.064  -0.548   4.129
   33   1HB   SER   4          HB2       SER   4   9.265   1.153   5.948
   34   2HB   SER   4          HB1       SER   4  10.716   0.174   5.740
   35    HG   SER   4           HG       SER   4  11.160   2.144   4.189
   36    H    LEU   5           HN       LEU   5   8.837   0.728   1.534
   37    HA   LEU   5           HA       LEU   5   6.758   2.687   2.221
   38   1HB   LEU   5          HB2       LEU   5   7.325   4.064   0.332
   39   2HB   LEU   5          HB1       LEU   5   8.736   3.865   1.351
   40    HG   LEU   5           HG       LEU   5   9.256   1.908  -0.376
   41   1HD1  LEU   5          HD11      LEU   5   6.997   3.092  -1.531
   42   2HD1  LEU   5          HD12      LEU   5   8.086   1.913  -2.262
   43   3HD1  LEU   5          HD13      LEU   5   8.371   3.639  -2.491
   44   1HD2  LEU   5          HD21      LEU   5  10.870   3.286  -1.255
   45   2HD2  LEU   5          HD22      LEU   5  10.442   4.170   0.209
   46   3HD2  LEU   5          HD23      LEU   5   9.789   4.676  -1.350
   47    H    TRP   6           HN       TRP   6   7.624  -0.145   0.597
   48    HA   TRP   6           HA       TRP   6   5.474   0.026  -1.353
   49   1HB   TRP   6          HB2       TRP   6   6.380  -1.849  -2.377
   50   2HB   TRP   6          HB1       TRP   6   7.811  -1.091  -1.688
   51    HD1  TRP   6           HD1      TRP   6   9.123  -2.419   0.163
   52    HE1  TRP   6           HE1      TRP   6   8.946  -4.814   1.083
   53    HE3  TRP   6           HE3      TRP   6   4.604  -3.730  -1.840
   54    HZ2  TRP   6           HZ2      TRP   6   7.133  -6.975   0.976
   55    HZ3  TRP   6           HZ3      TRP   6   3.720  -5.980  -1.382
   56    HH2  TRP   6           HH2      TRP   6   4.960  -7.568  -0.004
   57    H    ASN   7           HN       ASN   7   6.168  -1.488   1.716
   58    HA   ASN   7           HA       ASN   7   4.214  -3.458   1.788
   59   1HB   ASN   7          HB2       ASN   7   4.268  -2.470   4.384
   60   2HB   ASN   7          HB1       ASN   7   5.297  -3.740   3.730
   61   1HD2  ASN   7          HD21      ASN   7   5.096  -0.198   3.806
   62   2HD2  ASN   7          HD22      ASN   7   6.783   0.061   4.069
   63    H    TRP   8           HN       TRP   8   3.874  -0.047   1.875
   64    HA   TRP   8           HA       TRP   8   1.038  -0.315   2.627
   65   1HB   TRP   8          HB2       TRP   8   1.144   1.643   3.764
   66   2HB   TRP   8          HB1       TRP   8   2.866   1.285   3.820
   67    HD1  TRP   8           HD1      TRP   8   4.476   2.774   2.306
   68    HE1  TRP   8           HE1      TRP   8   4.134   5.046   1.139
   69    HE3  TRP   8           HE3      TRP   8  -0.607   3.041   2.564
   70    HZ2  TRP   8           HZ2      TRP   8   1.974   6.729   0.421
   71    HZ3  TRP   8           HZ3      TRP   8  -1.740   4.999   1.618
   72    HH2  TRP   8           HH2      TRP   8  -0.478   6.811   0.569
   73    H    PHE   9           HN       PHE   9   3.253   0.632   0.156
   74    HA   PHE   9           HA       PHE   9   1.546   2.261  -1.393
   75   1HB   PHE   9          HB2       PHE   9   4.132   1.744  -1.578
   76   2HB   PHE   9          HB1       PHE   9   3.583   0.505  -2.701
   77    HD1  PHE   9           HD1      PHE   9   2.585   1.097  -4.817
   78    HD2  PHE   9           HD2      PHE   9   3.901   4.097  -2.100
   79    HE1  PHE   9           HE1      PHE   9   2.443   2.777  -6.609
   80    HE2  PHE   9           HE2      PHE   9   3.760   5.783  -3.887
   81    HZ   PHE   9           HZ       PHE   9   3.042   5.131  -6.138
   82    H    ASN  10           HN       ASN  10   1.702  -1.138  -0.883
   83    HA   ASN  10           HA       ASN  10   0.094  -1.728  -3.238
   84   1HB   ASN  10          HB2       ASN  10   0.411  -4.059  -2.684
   85   2HB   ASN  10          HB1       ASN  10   1.967  -3.241  -2.577
   86   1HD2  ASN  10          HD21      ASN  10  -0.774  -4.341  -0.640
   87   2HD2  ASN  10          HD22      ASN  10   0.137  -4.652   0.794
   88    H    ILE  11           HN       ILE  11  -0.309  -0.926   0.005
   89    HA   ILE  11           HA       ILE  11  -2.739  -2.368   0.489
   90    HB   ILE  11           HB       ILE  11  -1.726   0.058   1.971
   91   1HG1  ILE  11          HG12      ILE  11  -1.143  -2.882   2.396
   92   2HG1  ILE  11          HG11      ILE  11   0.018  -1.627   1.974
   93   1HG2  ILE  11          HG21      ILE  11  -3.203  -2.000   3.422
   94   2HG2  ILE  11          HG22      ILE  11  -4.144  -1.218   2.151
   95   3HG2  ILE  11          HG23      ILE  11  -3.402  -0.248   3.423
   96   1HD1  ILE  11          HD11      ILE  11   0.052  -2.362   4.361
   97   2HD1  ILE  11          HD12      ILE  11  -1.547  -1.639   4.541
   98   3HD1  ILE  11          HD13      ILE  11  -0.164  -0.628   4.119
   99    H    THR  12           HN       THR  12  -1.883   0.778  -0.770
  100    HA   THR  12           HA       THR  12  -4.403   2.021  -0.550
  101    HB   THR  12           HB       THR  12  -3.358   3.168  -2.796
  102    HG1  THR  12           HG1      THR  12  -1.158   2.232  -1.237
  103   1HG2  THR  12          HG21      THR  12  -3.102   3.652   0.121
  104   2HG2  THR  12          HG22      THR  12  -3.806   4.666  -1.138
  105   3HG2  THR  12          HG23      THR  12  -2.054   4.586  -0.948
  106    H    ASN  13           HN       ASN  13  -3.624  -0.701  -2.241
  107    HA   ASN  13           HA       ASN  13  -5.297  -0.170  -4.559
  108   1HB   ASN  13          HB2       ASN  13  -3.866  -2.710  -3.747
  109   2HB   ASN  13          HB1       ASN  13  -4.639  -2.407  -5.300
  110   1HD2  ASN  13          HD21      ASN  13  -1.796  -2.922  -4.342
  111   2HD2  ASN  13          HD22      ASN  13  -0.870  -1.700  -5.138
  112    H    TRP  14           HN       TRP  14  -5.300  -2.339  -1.732
  113    HA   TRP  14           HA       TRP  14  -8.037  -3.140  -2.370
  114   1HB   TRP  14          HB2       TRP  14  -7.630  -4.603  -0.228
  115   2HB   TRP  14          HB1       TRP  14  -6.932  -5.070  -1.773
  116    HD1  TRP  14           HD1      TRP  14  -4.249  -4.248  -2.082
  117    HE1  TRP  14           HE1      TRP  14  -2.374  -4.327  -0.330
  118    HE3  TRP  14           HE3      TRP  14  -7.109  -4.492   2.145
  119    HZ2  TRP  14           HZ2      TRP  14  -2.134  -4.481   2.479
  120    HZ3  TRP  14           HZ3      TRP  14  -5.978  -4.603   4.327
  121    HH2  TRP  14           HH2      TRP  14  -3.542  -4.599   4.490
  122    H    LEU  15           HN       LEU  15  -6.202  -1.476   0.143
  123    HA   LEU  15           HA       LEU  15  -8.270  -1.171   2.000
  124   1HB   LEU  15          HB2       LEU  15  -6.806   0.093   3.158
  125   2HB   LEU  15          HB1       LEU  15  -5.661  -0.491   1.969
  126    HG   LEU  15           HG       LEU  15  -6.392   1.672   0.663
  127   1HD1  LEU  15          HD11      LEU  15  -7.194   2.213   3.500
  128   2HD1  LEU  15          HD12      LEU  15  -8.083   2.542   2.013
  129   3HD1  LEU  15          HD13      LEU  15  -6.668   3.511   2.427
  130   1HD2  LEU  15          HD21      LEU  15  -4.448   2.719   1.430
  131   2HD2  LEU  15          HD22      LEU  15  -4.146   1.001   1.696
  132   3HD2  LEU  15          HD23      LEU  15  -4.610   2.035   3.047
  133    H    TRP  16           HN       TRP  16  -7.442   0.632  -0.896
  134    HA   TRP  16           HA       TRP  16  -9.198   2.809  -0.534
  135   1HB   TRP  16          HB2       TRP  16  -7.410   1.910  -2.532
  136   2HB   TRP  16          HB1       TRP  16  -8.977   2.083  -3.316
  137    HD1  TRP  16           HD1      TRP  16  -9.232   4.379  -4.378
  138    HE1  TRP  16           HE1      TRP  16  -8.447   6.772  -3.845
  139    HE3  TRP  16           HE3      TRP  16  -6.629   3.440  -0.080
  140    HZ2  TRP  16           HZ2      TRP  16  -6.924   8.087  -1.863
  141    HZ3  TRP  16           HZ3      TRP  16  -5.535   5.320   1.071
  142    HH2  TRP  16           HH2      TRP  16  -5.680   7.594   0.196
  143    H    TYR  17           HN       TYR  17  -9.615  -0.465  -1.529
  144    HA   TYR  17           HA       TYR  17 -12.266  -0.118  -2.609
  145   1HB   TYR  17          HB2       TYR  17 -11.395  -1.960  -3.631
  146   2HB   TYR  17          HB1       TYR  17 -10.324  -2.328  -2.284
  147    HD1  TYR  17           HD1      TYR  17 -10.912  -3.961  -0.669
  148    HD2  TYR  17           HD2      TYR  17 -13.793  -2.683  -3.527
  149    HE1  TYR  17           HE1      TYR  17 -12.388  -5.809   0.002
  150    HE2  TYR  17           HE2      TYR  17 -15.279  -4.526  -2.862
  151    HH   TYR  17           HH       TYR  17 -15.205  -6.082  -0.202
  152    H    ILE  18           HN       ILE  18 -10.782  -0.903   0.432
  153    HA   ILE  18           HA       ILE  18 -13.097  -1.958   1.716
  154    HB   ILE  18           HB       ILE  18 -10.625  -0.722   2.944
  155   1HG1  ILE  18          HG12      ILE  18 -11.242  -3.655   2.584
  156   2HG1  ILE  18          HG11      ILE  18 -10.325  -2.731   1.400
  157   1HG2  ILE  18          HG21      ILE  18 -11.598  -2.603   4.697
  158   2HG2  ILE  18          HG22      ILE  18 -13.064  -1.837   4.085
  159   3HG2  ILE  18          HG23      ILE  18 -11.805  -0.857   4.837
  160   1HD1  ILE  18          HD11      ILE  18  -9.017  -4.086   3.098
  161   2HD1  ILE  18          HD12      ILE  18  -9.507  -2.870   4.279
  162   3HD1  ILE  18          HD13      ILE  18  -8.543  -2.403   2.877
  163    H    LYS  19           HN       LYS  19 -11.603   1.240   1.538
  164    HA   LYS  19           HA       LYS  19 -13.454   2.462   3.345
  165   1HB   LYS  19          HB2       LYS  19 -11.193   3.340   1.650
  166   2HB   LYS  19          HB1       LYS  19 -12.412   4.559   1.996
  167   1HG   LYS  19          HG2       LYS  19 -11.996   3.477   4.462
  168   2HG   LYS  19          HG1       LYS  19 -10.390   3.372   3.737
  169   1HD   LYS  19          HD2       LYS  19 -11.920   5.915   3.471
  170   2HD   LYS  19          HD1       LYS  19 -11.169   5.537   5.022
  171   1HE   LYS  19          HE2       LYS  19  -9.361   5.044   2.821
  172   2HE   LYS  19          HE1       LYS  19  -9.955   6.706   2.804
  173   1HZ   LYS  19          HZ1       LYS  19  -7.974   6.596   4.130
  174   2HZ   LYS  19          HZ2       LYS  19  -8.597   5.330   5.065
  175   3HZ   LYS  19          HZ3       LYS  19  -9.285   6.873   5.165
  176   1HN   NH2  20          HN3       LYS  19 -13.648   2.602  -0.492
  177   2HN   NH2  20          HN2       LYS  19 -14.956   1.638   0.096