# Peaks assigned by AutoStructure # number of intra-residue assignments: 19 peak: 1 (hx1)0.83 (hx2)8.02 (x1)20.4 112802 (label)?-?-? atom: 28 5V-QG G 0.825 ambi=2 { CG1:20.5 CG2:20.9 } atom: 21 5V-H N 8.01 ambi=1 { N:123.2 } PDB peak: 5 (hx1)0.63 (hx2)7.19 (x1)26.9 26434 (label)?-?-? atom: 202 32L-HD2 D2 0.63 ambi=2 { CD2:27.1 } atom: 195 32L-H N 7.19 ambi=1 { N:124.2 } PDB peak: 7 (hx1)0.63 (hx2)0.82 (x1)27 595581 (label)?-?-? atom: 202 32L-HD2 D2 0.63 ambi=2 { CD2:27.1 } atom: 201 32L-HD1 D1 0.82 ambi=2 { CD1:23.1 } PDB EXPECT peak: 13 (hx1)0.74 (hx2)1.07 (x1)26 345431 (label)?-?-? atom: 357 57L-HD2 D2 0.74 ambi=2 { CD2:26 } atom: 356 57L-HD1 D1 1.08 ambi=2 { CD1:23.1 } PDB EXPECT peak: 20 (hx1)0.97 (hx2)7.88 (x1)24.5 24215 (label)?-?-? atom: 400 64L-HD2 D2 0.98 ambi=2 { CD2:24.7 } atom: 393 64L-H N 7.89 ambi=1 { N:122 } PDB peak: 21 (hx1)0.5 (hx2)7.89 (x1)24.4 13137 (label)?-?-? atom: 188 30L-HD2 D2 0.5 ambi=2 { CD2:24.6 } atom: 181 30L-H N 7.88 ambi=1 { N:117.4 } PDB peak: 25 (hx1)0.96 (hx2)7.87 (x1)23.6 25476 (label)?-?-? atom: 399 64L-HD1 D1 0.95 ambi=2 { CD1:23.5 } atom: 393 64L-H N 7.89 ambi=1 { N:122 } PDB peak: 30 (hx1)0.82 (hx2)7.21 (x1)23 32507 (label)?-?-? atom: 201 32L-HD1 D1 0.82 ambi=2 { CD1:23.1 } atom: 195 32L-H N 7.19 ambi=1 { N:124.2 } PDB peak: 37 (hx1)0.84 (hx2)6.5 (x1)22.1 20150 (label)?-?-? atom: 221 35L-HD1 D1 0.84 ambi=2 { CD1:22.1 } atom: 215 35L-H N 6.48 ambi=1 { N:117.2 } Unique PDB peak: 38 (hx1)0.6 (hx2)0.47 (x1)23.5 558868 (label)?-?-? atom: 187 30L-HD1 D1 0.6 ambi=2 { CD1:23.5 } atom: 188 30L-HD2 D2 0.5 ambi=2 { CD2:24.6 } PDB EXPECT peak: 39 (hx1)0.6 (hx2)7.9 (x1)23.5 17949 (label)?-?-? atom: 187 30L-HD1 D1 0.6 ambi=2 { CD1:23.5 } atom: 181 30L-H N 7.88 ambi=1 { N:117.4 } PDB peak: 41 (hx1)1.08 (hx2)0.73 (x1)23 620456 (label)?-?-? atom: 356 57L-HD1 D1 1.08 ambi=2 { CD1:23.1 } atom: 357 57L-HD2 D2 0.74 ambi=2 { CD2:26 } PDB EXPECT peak: 44 (hx1)1.08 (hx2)8.61 (x1)23.2 22636 (label)?-?-? atom: 356 57L-HD1 D1 1.08 ambi=2 { CD1:23.1 } atom: 350 57L-H N 8.59 ambi=1 { N:121.3 } PDB peak: 48 (hx1)0.71 (hx2)7.85 (x1)20.4 192210 (label)?-?-? atom: 86 14V-HG2 G2 0.7 ambi=2 { QCG:20.5 } atom: 80 14V-H N 7.85 ambi=1 { N:118.2 } PDB peak: 48 (hx1)0.71 (hx2)7.85 (x1)20.4 192210 (label)?-?-? atom: 87 14V-HG2 G2 0.73 ambi=2 { QCG:20.5 } atom: 80 14V-H N 7.85 ambi=1 { N:118.2 } PDB peak: 49 (hx1)0.47 (hx2)8.43 (x1)12.4 50049 (label)?-?-? atom: 179 29I-HD1 D1 0.47 ambi=1 { CD1:12.4 } atom: 174 29I-H N 8.41 ambi=1 { N:119.5 } PDB peak: 57 (hx1)0.56 (hx2)8.23 (x1)11.5 19671 (label)?-?-? atom: 278 44I-HD1 D1 0.56 ambi=1 { CD1:11.6 } atom: 273 44I-H N 8.24 ambi=1 { N:118.1 } PDB peak: 66 (hx1)0.74 (hx2)8.09 (x1)25.8 58588 (label)?-?-? atom: 300 47L-HD2 D2 0.71 ambi=2 { CD2:26.1 } atom: 293 47L-H N 8.09 ambi=1 { N:124.1 } PDB peak: 68 (hx1)0.72 (hx2)8.12 (x1)25.3 32553 (label)?-?-? atom: 299 47L-HD1 D1 0.74 ambi=2 { CD1:25 } atom: 293 47L-H N 8.09 ambi=1 { N:124.1 } PDB # number of interresidue[(i-j)=1] assignments: 14 peak: 2 (hx1)0.83 (hx2)8.24 (x1)20.7 72281 (label)?-?-? atom: 28 5V-QG G 0.825 ambi=2 { CG1:20.5 CG2:20.9 } atom: 16 4F-H N 8.25 ambi=1 { N:124.2 } PDB peak: 2 (hx1)0.83 (hx2)8.24 (x1)20.7 72281 (label)?-?-? atom: 28 5V-QG G 0.825 ambi=2 { CG1:20.5 CG2:20.9 } atom: 30 6L-H N 8.25 ambi=1 { N:126 } PDB peak: 3 (hx1)0.87 (hx2)8.44 (x1)23.5 54711 (label)?-?-? atom: 36 6L-QD D 0.85 ambi=2 { CD1:23.8 CD2:25.1 } atom: 39 7N-H N 8.43 ambi=1 { N:119.5 } PDB peak: 10 (hx1)0.92 (hx2)8.55 (x1)26.2 27599 (label)?-?-? atom: 222 35L-HD2 D2 0.92 ambi=2 { CD2:26.4 } atom: 224 36N-H N 8.54 ambi=1 { N:119 } PDB peak: 15 (hx1)0.97 (hx2)8.52 (x1)24.4 24728 (label)?-?-? atom: 400 64L-HD2 D2 0.98 ambi=2 { CD2:24.7 } atom: 402 65N-H N 8.54 ambi=1 { N:116.7 } PDB peak: 28 (hx1)0.96 (hx2)8.51 (x1)23.6 14704 (label)?-?-? atom: 399 64L-HD1 D1 0.95 ambi=2 { CD1:23.5 } atom: 402 65N-H N 8.54 ambi=1 { N:116.7 } PDB peak: 32 (hx1)0.84 (hx2)8.54 (x1)22 110334 (label)?-?-? atom: 221 35L-HD1 D1 0.84 ambi=2 { CD1:22.1 } atom: 224 36N-H N 8.54 ambi=1 { N:119 } PDB peak: 40 (hx1)0.6 (hx2)7.18 (x1)23.6 12092 (label)?-?-? atom: 187 30L-HD1 D1 0.6 ambi=2 { CD1:23.5 } atom: 190 31H-H N 7.19 ambi=1 { N:111.4 } PDB peak: 47 (hx1)0.71 (hx2)8.03 (x1)20.4 52587 (label)?-?-? atom: 86 14V-HG2 G2 0.7 ambi=2 { QCG:20.5 } atom: 89 15D-H N 8 ambi=1 { N:122 } PDB peak: 47 (hx1)0.71 (hx2)8.03 (x1)20.4 52587 (label)?-?-? atom: 87 14V-HG2 G2 0.73 ambi=2 { QCG:20.5 } atom: 89 15D-H N 8 ambi=1 { N:122 } PDB peak: 50 (hx1)0.48 (hx2)7.9 (x1)12.2 14833 (label)?-?-? atom: 179 29I-HD1 D1 0.47 ambi=1 { CD1:12.4 } atom: 181 30L-H N 7.88 ambi=1 { N:117.4 } PDB peak: 56 (hx1)0.56 (hx2)8.43 (x1)11.4 18543 (label)?-?-? atom: 278 44I-HD1 D1 0.56 ambi=1 { CD1:11.6 } atom: 280 45Q-H N 8.4 ambi=1 { N:119.2 } PDB peak: 64 (hx1)0.74 (hx2)7.76 (x1)25.8 21483 (label)?-?-? atom: 357 57L-HD2 D2 0.74 ambi=2 { CD2:26 } atom: 346 56N-HD21 D2 7.77 ambi=2 { ND2:113.1 } PDB peak: 65 (hx1)0.74 (hx2)7.92 (x1)25.8 21542 (label)?-?-? atom: 357 57L-HD2 D2 0.74 ambi=2 { CD2:26 } atom: 342 56N-H N 7.91 ambi=1 { N:118.4 } PDB # number of interresidue[1<(i-j)<=5] assignments: 21 peak: 2 (hx1)0.83 (hx2)8.24 (x1)20.7 72281 (label)?-?-? atom: 28 5V-QG G 0.825 ambi=2 { CG1:20.5 CG2:20.9 } atom: 47 8A-H N 8.22 ambi=1 { N:124 } PDB peak: 3 (hx1)0.87 (hx2)8.44 (x1)23.5 54711 (label)?-?-? atom: 365 58L-QD D 0.885 ambi=2 { CD1:23.5 CD2:24.4 } atom: 383 62K-H N 8.47 ambi=1 { N:117.9 } PDB peak: 7 (hx1)0.63 (hx2)0.82 (x1)27 595581 (label)?-?-? atom: 202 32L-HD2 D2 0.63 ambi=2 { CD2:27.1 } atom: 221 35L-HD1 D1 0.84 ambi=2 { CD1:22.1 } PDB peak: 8 (hx1)0.92 (hx2)0.63 (x1)26.3 170923 (label)?-?-? atom: 222 35L-HD2 D2 0.92 ambi=2 { CD2:26.4 } atom: 202 32L-HD2 D2 0.63 ambi=2 { CD2:27.1 } PDB peak: 9 (hx1)0.93 (hx2)7.22 (x1)26.4 10641 (label)?-?-? atom: 222 35L-HD2 D2 0.92 ambi=2 { CD2:26.4 } atom: 195 32L-H N 7.19 ambi=1 { N:124.2 } PDB peak: 10 (hx1)0.92 (hx2)8.55 (x1)26.2 27599 (label)?-?-? atom: 222 35L-HD2 D2 0.92 ambi=2 { CD2:26.4 } atom: 250 40R-H N 8.54 ambi=1 { N:118.7 } PDB peak: 11 (hx1)0.74 (hx2)7.58 (x1)25.7 11176 (label)?-?-? atom: 357 57L-HD2 D2 0.74 ambi=2 { CD2:26 } atom: 368 59A-H N 7.58 ambi=1 { N:119.2 } PDB peak: 16 (hx1)0.97 (hx2)8.77 (x1)24.5 29155 (label)?-?-? atom: 400 64L-HD2 D2 0.98 ambi=2 { CD2:24.7 } atom: 424 68Q-HE21 E2 8.75 ambi=2 { NE2:111.2 } PDB peak: 18 (hx1)0.97 (hx2)7.28 (x1)24.4 32379 (label)?-?-? atom: 400 64L-HD2 D2 0.98 ambi=2 { CD2:24.7 } atom: 425 68Q-HE22 E2 7.27 ambi=2 { NE2:111.2 } PDB peak: 19 (hx1)0.98 (hx2)8.04 (x1)24.5 15700 (label)?-?-? atom: 400 64L-HD2 D2 0.98 ambi=2 { CD2:24.7 } atom: 373 60E-H N 8.06 ambi=1 { N:119.2 } PDB peak: 26 (hx1)0.96 (hx2)8.78 (x1)23.6 21421 (label)?-?-? atom: 399 64L-HD1 D1 0.95 ambi=2 { CD1:23.5 } atom: 424 68Q-HE21 E2 8.75 ambi=2 { NE2:111.2 } PDB peak: 27 (hx1)0.96 (hx2)7.27 (x1)23.8 31325 (label)?-?-? atom: 399 64L-HD1 D1 0.95 ambi=2 { CD1:23.5 } atom: 425 68Q-HE22 E2 7.27 ambi=2 { NE2:111.2 } PDB peak: 32 (hx1)0.84 (hx2)8.54 (x1)22 110334 (label)?-?-? atom: 221 35L-HD1 D1 0.84 ambi=2 { CD1:22.1 } atom: 250 40R-H N 8.54 ambi=1 { N:118.7 } PDB peak: 35 (hx1)0.84 (hx2)7.68 (x1)22 22022 (label)?-?-? atom: 221 35L-HD1 D1 0.84 ambi=2 { CD1:22.1 } atom: 246 39Q-HE21 E2 7.67 ambi=2 { NE2:113 } PDB peak: 46 (hx1)0.73 (hx2)8.23 (x1)20.4 17029 (label)?-?-? atom: 86 14V-HG2 G2 0.7 ambi=2 { QCG:20.5 } atom: 102 17K-H N 8.21 ambi=1 { N:119.4 } PDB peak: 50 (hx1)0.48 (hx2)7.9 (x1)12.2 14833 (label)?-?-? atom: 179 29I-HD1 D1 0.47 ambi=1 { CD1:12.4 } atom: 154 25A-H N 7.88 ambi=1 { N:122.1 } PDB peak: 51 (hx1)0.48 (hx2)8.11 (x1)12.1 12454 (label)?-?-? atom: 179 29I-HD1 D1 0.47 ambi=1 { CD1:12.4 } atom: 159 26F-H N 8.13 ambi=1 { N:117.8 } PDB peak: 54 (hx1)0.47 (hx2)0.83 (x1)12.4 119479 (label)?-?-? atom: 179 29I-HD1 D1 0.47 ambi=1 { CD1:12.4 } atom: 201 32L-HD1 D1 0.82 ambi=2 { CD1:23.1 } PDB peak: 56 (hx1)0.56 (hx2)8.43 (x1)11.4 18543 (label)?-?-? atom: 278 44I-HD1 D1 0.56 ambi=1 { CD1:11.6 } atom: 255 41N-H N 8.45 ambi=1 { N:114.8 } PDB peak: 62 (hx1)0.85 (hx2)8.39 (x1)25 11298 (label)?-?-? atom: 36 6L-QD D 0.85 ambi=2 { CD1:23.8 CD2:25.1 } atom: 4 2A-H N 8.41 ambi=1 { N:126.4 } PDB peak: 64 (hx1)0.74 (hx2)7.76 (x1)25.8 21483 (label)?-?-? atom: 357 57L-HD2 D2 0.74 ambi=2 { CD2:26 } atom: 332 54S-H N 7.76 ambi=1 { N:115.3 } PDB # number of interresidue[(i-j)>5] assignments: 23 peak: 6 (hx1)0.64 (hx2)7.94 (x1)27 14100 (label)?-?-? atom: 202 32L-HD2 D2 0.63 ambi=2 { CD2:27.1 } atom: 406 65N-HD21 D2 7.94 ambi=2 { ND2:116.3 } PDB peak: 12 (hx1)0.74 (hx2)8.64 (x1)25.8 24580 (label)?-?-? atom: 357 57L-HD2 D2 0.74 ambi=2 { CD2:26 } atom: 232 37E-H N 8.61 ambi=1 { N:118 } AMBI peak: 13 (hx1)0.74 (hx2)1.07 (x1)26 345431 (label)?-?-? atom: 300 47L-HD2 D2 0.71 ambi=2 { CD2:26.1 } atom: 356 57L-HD1 D1 1.08 ambi=2 { CD1:23.1 } PDB peak: 14 (hx1)0.97 (hx2)8.26 (x1)24.5 77602 (label)?-?-? atom: 400 64L-HD2 D2 0.98 ambi=2 { CD2:24.7 } atom: 247 39Q-HE22 E2 8.25 ambi=2 { NE2:113 } PDB peak: 17 (hx1)0.98 (hx2)7.68 (x1)24.4 98699 (label)?-?-? atom: 400 64L-HD2 D2 0.98 ambi=2 { CD2:24.7 } atom: 246 39Q-HE21 E2 7.67 ambi=2 { NE2:113 } PDB peak: 22 (hx1)0.96 (hx2)7.68 (x1)23.7 89791 (label)?-?-? atom: 399 64L-HD1 D1 0.95 ambi=2 { CD1:23.5 } atom: 246 39Q-HE21 E2 7.67 ambi=2 { NE2:113 } PDB peak: 23 (hx1)0.96 (hx2)8.26 (x1)23.6 78323 (label)?-?-? atom: 399 64L-HD1 D1 0.95 ambi=2 { CD1:23.5 } atom: 247 39Q-HE22 E2 8.25 ambi=2 { NE2:113 } PDB peak: 29 (hx1)0.82 (hx2)6.86 (x1)23.1 85821 (label)?-?-? atom: 201 32L-HD1 D1 0.82 ambi=2 { CD1:23.1 } atom: 407 65N-HD22 D2 6.85 ambi=2 { ND2:116.3 } PDB peak: 31 (hx1)0.82 (hx2)7.95 (x1)23.1 94715 (label)?-?-? atom: 201 32L-HD1 D1 0.82 ambi=2 { CD1:23.1 } atom: 406 65N-HD21 D2 7.94 ambi=2 { ND2:116.3 } PDB peak: 33 (hx1)0.84 (hx2)8.76 (x1)22 62543 (label)?-?-? atom: 221 35L-HD1 D1 0.84 ambi=2 { CD1:22.1 } atom: 424 68Q-HE21 E2 8.75 ambi=2 { NE2:111.2 } PDB peak: 34 (hx1)0.83 (hx2)7.27 (x1)22 58412 (label)?-?-? atom: 221 35L-HD1 D1 0.84 ambi=2 { CD1:22.1 } atom: 425 68Q-HE22 E2 7.27 ambi=2 { NE2:111.2 } PDB peak: 41 (hx1)1.08 (hx2)0.73 (x1)23 620456 (label)?-?-? atom: 356 57L-HD1 D1 1.08 ambi=2 { CD1:23.1 } atom: 299 47L-HD1 D1 0.74 ambi=2 { CD1:25 } PDB peak: 41 (hx1)1.08 (hx2)0.73 (x1)23 620456 (label)?-?-? atom: 356 57L-HD1 D1 1.08 ambi=2 { CD1:23.1 } atom: 300 47L-HD2 D2 0.71 ambi=2 { CD2:26.1 } PDB peak: 42 (hx1)1.08 (hx2)8.08 (x1)23 31568 (label)?-?-? atom: 356 57L-HD1 D1 1.08 ambi=2 { CD1:23.1 } atom: 293 47L-H N 8.09 ambi=1 { N:124.1 } PDB peak: 43 (hx1)1.08 (hx2)7.91 (x1)22.9 13364 (label)?-?-? atom: 356 57L-HD1 D1 1.08 ambi=2 { CD1:23.1 } atom: 154 25A-H N 7.88 ambi=1 { N:122.1 } PDB peak: 52 (hx1)0.47 (hx2)0.68 (x1)12.5 258042 (label)?-?-? atom: 179 29I-HD1 D1 0.47 ambi=1 { CD1:12.4 } atom: 300 47L-HD2 D2 0.71 ambi=2 { CD2:26.1 } PDB peak: 53 (hx1)0.47 (hx2)1.09 (x1)12.3 26112 (label)?-?-? atom: 179 29I-HD1 D1 0.47 ambi=1 { CD1:12.4 } atom: 356 57L-HD1 D1 1.08 ambi=2 { CD1:23.1 } Unique PDB peak: 55 (hx1)0.56 (hx2)7.89 (x1)11.6 31032 (label)?-?-? atom: 278 44I-HD1 D1 0.56 ambi=1 { CD1:11.6 } atom: 181 30L-H N 7.88 ambi=1 { N:117.4 } PDB peak: 60 (hx1)0.63 (hx2)6.84 (x1)27 13046 (label)?-?-? atom: 202 32L-HD2 D2 0.63 ambi=2 { CD2:27.1 } atom: 407 65N-HD22 D2 6.85 ambi=2 { ND2:116.3 } PDB peak: 63 (hx1)0.98 (hx2)0.84 (x1)24.5 381321 (label)?-?-? atom: 400 64L-HD2 D2 0.98 ambi=2 { CD2:24.7 } atom: 201 32L-HD1 D1 0.82 ambi=2 { CD1:23.1 } PDB peak: 66 (hx1)0.74 (hx2)8.09 (x1)25.8 58588 (label)?-?-? atom: 357 57L-HD2 D2 0.74 ambi=2 { CD2:26 } atom: 293 47L-H N 8.09 ambi=1 { N:124.1 } PDB peak: 67 (hx1)0.74 (hx2)8.44 (x1)25.3 17960 (label)?-?-? atom: 299 47L-HD1 D1 0.74 ambi=2 { CD1:25 } atom: 174 29I-H N 8.41 ambi=1 { N:119.5 } PDB peak: 68 (hx1)0.72 (hx2)8.12 (x1)25.3 32553 (label)?-?-? atom: 299 47L-HD1 D1 0.74 ambi=2 { CD1:25 } atom: 159 26F-H N 8.13 ambi=1 { N:117.8 } PDB