Detailed results of CTR148A_R3Cons_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 2530
# INTRA-RESIDUE RESTRAINTS (I=J) : 432
# SEQUENTIAL RESTRAINTS (I-J)=1 : 592
# BACKBONE-BACKBONE : 98
# BACKBONE-SIDE CHAIN : 117
# SIDE CHAIN-SIDE CHAIN : 377
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 536
# BACKBONE-BACKBONE : 86
# BACKBONE-SIDE CHAIN : 149
# SIDE CHAIN-SIDE CHAIN : 301
# LONG RANGE RESTRAINTS (I-J)>=5 : 970
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 2530
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 0 0.0 0.0 0.0 0.0 0.0
THR 2 1 1.0 0.5 0.5 0.0 0.0
ASP 3 0 8.0 1.5 0.0 6.5 0.0
PHE 4 3 30.5 5.5 4.0 21.0 0.0
LEU 5 11 40.0 9.0 0.0 31.0 0.0
ALA 6 1 24.5 7.0 3.0 14.5 0.0
GLY 7 0 22.0 5.5 0.5 16.0 0.0
ILE 8 10 38.5 5.5 3.0 30.0 0.0
ARG 9 5 29.0 8.5 2.5 18.0 0.0
ILE 10 8 46.0 10.5 2.5 33.0 0.0
VAL 11 5 31.0 7.5 3.0 20.5 0.0
GLY 12 0 18.0 4.5 0.0 13.5 0.0
GLU 13 4 32.5 3.5 6.5 22.5 0.0
ASP 14 1 15.0 4.0 1.0 10.0 0.0
LYS 15 8 29.5 9.5 17.0 3.0 0.0
ASN 16 4 11.5 11.0 0.5 0.0 0.0
GLY 17 0 11.0 7.5 3.5 0.0 0.0
MET 18 11 41.5 7.0 22.5 12.0 0.0
THR 19 5 22.0 5.5 7.0 9.5 0.0
ASN 20 7 13.5 8.0 5.0 0.5 0.0
GLN 21 11 37.5 15.0 17.0 5.5 0.0
ILE 22 10 48.5 15.0 16.5 17.0 0.0
THR 23 5 25.0 8.0 11.5 5.5 0.0
GLY 24 0 13.0 4.0 9.0 0.0 0.0
VAL 25 5 35.0 5.5 25.5 4.0 0.0
ILE 26 7 30.5 7.5 16.5 6.5 0.0
SER 27 4 18.5 8.0 8.0 2.5 0.0
LYS 28 15 21.5 7.0 13.5 1.0 0.0
PHE 29 6 42.0 3.5 13.5 25.0 0.0
ASP 30 0 5.0 3.5 0.0 1.5 0.0
THR 31 2 21.0 4.5 5.5 11.0 0.0
ASN 32 5 8.5 6.5 0.0 2.0 0.0
ILE 33 7 19.0 6.5 2.5 10.0 0.0
ARG 34 3 13.5 4.0 0.5 9.0 0.0
THR 35 3 23.0 5.5 4.0 13.5 0.0
ILE 36 5 18.0 8.5 1.0 8.5 0.0
VAL 37 4 30.0 9.5 4.0 16.5 0.0
LEU 38 8 34.0 8.5 2.5 23.0 0.0
ASN 39 7 17.0 6.0 4.5 6.5 0.0
ALA 40 1 18.5 5.0 4.0 9.5 0.0
LYS 41 8 22.0 8.0 11.5 2.5 0.0
ASP 42 0 11.5 6.0 5.5 0.0 0.0
GLY 43 0 9.5 4.5 2.0 3.0 0.0
ILE 44 10 41.0 8.5 14.0 18.5 0.0
PHE 45 3 56.0 10.0 6.5 39.5 0.0
THR 46 2 26.5 6.5 3.0 17.0 0.0
CYS 47 0 29.5 3.5 4.0 22.0 0.0
ASN 48 3 33.5 5.5 1.5 26.5 0.0
LEU 49 8 35.5 10.5 0.0 25.0 0.0
MET 50 8 47.0 12.5 1.0 33.5 0.0
ILE 51 9 44.5 11.5 2.5 30.5 0.0
PHE 52 3 31.5 11.0 0.5 20.0 0.0
VAL 53 4 49.0 10.0 6.0 33.0 0.0
LYS 54 14 17.0 10.5 1.0 5.5 0.0
ASN 55 0 15.0 7.0 7.0 1.0 0.0
THR 56 2 17.0 3.5 9.5 4.0 0.0
ASP 57 1 11.0 6.0 5.0 0.0 0.0
LYS 58 8 38.0 7.0 20.0 11.0 0.0
LEU 59 11 46.5 8.0 17.0 21.5 0.0
THR 60 3 20.5 7.0 12.0 1.5 0.0
THR 61 3 20.5 7.5 13.0 0.0 0.0
LEU 62 10 61.0 10.5 28.5 22.0 0.0
MET 63 6 34.0 6.5 14.5 13.0 0.0
ASP 64 2 20.5 7.0 12.5 1.0 0.0
LYS 65 15 35.5 7.0 17.5 11.0 0.0
LEU 66 7 25.0 4.5 10.5 10.0 0.0
ARG 67 11 25.0 6.5 8.5 10.0 0.0
LYS 68 16 19.5 11.5 7.5 0.5 0.0
VAL 69 5 36.5 15.0 9.5 12.0 0.0
GLN 70 5 12.5 10.0 2.0 0.5 0.0
GLY 71 0 12.5 4.5 1.0 7.0 0.0
VAL 72 5 32.5 6.5 9.5 16.5 0.0
PHE 73 2 30.0 10.5 1.5 18.0 0.0
THR 74 2 19.0 8.5 4.0 6.5 0.0
VAL 75 4 26.0 5.0 2.5 18.5 0.0
GLU 76 4 16.0 4.5 3.0 8.5 0.0
ARG 77 13 25.5 8.0 1.5 16.0 0.0
LEU 78 10 38.0 9.5 2.5 26.0 0.0
SER 79 0 8.5 4.5 4.0 0.0 0.0
ASN 80 1 5.0 4.0 1.0 0.0 0.0
LEU 81 11 24.5 6.5 6.5 11.5 0.0
GLU 82 7 9.0 8.5 0.0 0.5 0.0
HIS 83 4 15.5 5.5 4.0 6.0 0.0
HIS 84 0 0.0 0.0 0.0 0.0 0.0
HIS 85 0 0.0 0.0 0.0 0.0 0.0
HIS 86 0 0.0 0.0 0.0 0.0 0.0
HIS 87 0 0.0 0.0 0.0 0.0 0.0
HIS 88 0 0.0 0.0 0.0 0.0 0.0
MET 1 0 0.0 0.0 0.0 0.0 0.0
THR 2 0 0.0 0.0 0.0 0.0 0.0
ASP 3 0 0.0 0.0 0.0 0.0 0.0
PHE 4 0 0.0 0.0 0.0 0.0 0.0
LEU 5 0 0.0 0.0 0.0 0.0 0.0
ALA 6 0 0.0 0.0 0.0 0.0 0.0
GLY 7 0 0.0 0.0 0.0 0.0 0.0
ILE 8 0 0.0 0.0 0.0 0.0 0.0
ARG 9 0 0.0 0.0 0.0 0.0 0.0
ILE 10 0 0.0 0.0 0.0 0.0 0.0
VAL 11 0 0.0 0.0 0.0 0.0 0.0
GLY 12 0 0.0 0.0 0.0 0.0 0.0
GLU 13 0 0.0 0.0 0.0 0.0 0.0
ASP 14 0 0.0 0.0 0.0 0.0 0.0
LYS 15 0 0.0 0.0 0.0 0.0 0.0
ASN 16 0 0.0 0.0 0.0 0.0 0.0
GLY 17 0 0.0 0.0 0.0 0.0 0.0
MET 18 0 0.0 0.0 0.0 0.0 0.0
THR 19 0 0.0 0.0 0.0 0.0 0.0
ASN 20 0 0.0 0.0 0.0 0.0 0.0
GLN 21 0 0.0 0.0 0.0 0.0 0.0
ILE 22 0 0.0 0.0 0.0 0.0 0.0
THR 23 0 0.0 0.0 0.0 0.0 0.0
GLY 24 0 0.0 0.0 0.0 0.0 0.0
VAL 25 0 0.0 0.0 0.0 0.0 0.0
ILE 26 0 0.0 0.0 0.0 0.0 0.0
SER 27 0 0.0 0.0 0.0 0.0 0.0
LYS 28 0 0.0 0.0 0.0 0.0 0.0
PHE 29 0 0.0 0.0 0.0 0.0 0.0
ASP 30 0 0.0 0.0 0.0 0.0 0.0
THR 31 0 0.0 0.0 0.0 0.0 0.0
ASN 32 0 0.0 0.0 0.0 0.0 0.0
ILE 33 0 0.0 0.0 0.0 0.0 0.0
ARG 34 0 0.0 0.0 0.0 0.0 0.0
THR 35 0 0.0 0.0 0.0 0.0 0.0
ILE 36 0 0.0 0.0 0.0 0.0 0.0
VAL 37 0 0.0 0.0 0.0 0.0 0.0
LEU 38 0 0.0 0.0 0.0 0.0 0.0
ASN 39 0 0.0 0.0 0.0 0.0 0.0
ALA 40 0 0.0 0.0 0.0 0.0 0.0
LYS 41 0 0.0 0.0 0.0 0.0 0.0
ASP 42 0 0.0 0.0 0.0 0.0 0.0
GLY 43 0 0.0 0.0 0.0 0.0 0.0
ILE 44 0 0.0 0.0 0.0 0.0 0.0
PHE 45 0 0.0 0.0 0.0 0.0 0.0
THR 46 0 0.0 0.0 0.0 0.0 0.0
CYS 47 0 0.0 0.0 0.0 0.0 0.0
ASN 48 0 0.0 0.0 0.0 0.0 0.0
LEU 49 0 0.0 0.0 0.0 0.0 0.0
MET 50 0 0.0 0.0 0.0 0.0 0.0
ILE 51 0 0.0 0.0 0.0 0.0 0.0
PHE 52 0 0.0 0.0 0.0 0.0 0.0
VAL 53 0 0.0 0.0 0.0 0.0 0.0
LYS 54 0 0.0 0.0 0.0 0.0 0.0
ASN 55 0 0.0 0.0 0.0 0.0 0.0
THR 56 0 0.0 0.0 0.0 0.0 0.0
ASP 57 0 0.0 0.0 0.0 0.0 0.0
LYS 58 0 0.0 0.0 0.0 0.0 0.0
LEU 59 0 0.0 0.0 0.0 0.0 0.0
THR 60 0 0.0 0.0 0.0 0.0 0.0
THR 61 0 0.0 0.0 0.0 0.0 0.0
LEU 62 0 0.0 0.0 0.0 0.0 0.0
MET 63 0 0.0 0.0 0.0 0.0 0.0
ASP 64 0 0.0 0.0 0.0 0.0 0.0
LYS 65 0 0.0 0.0 0.0 0.0 0.0
LEU 66 0 0.0 0.0 0.0 0.0 0.0
ARG 67 0 0.0 0.0 0.0 0.0 0.0
LYS 68 0 0.0 0.0 0.0 0.0 0.0
VAL 69 0 0.0 0.0 0.0 0.0 0.0
GLN 70 0 0.0 0.0 0.0 0.0 0.0
GLY 71 0 0.0 0.0 0.0 0.0 0.0
VAL 72 0 0.0 0.0 0.0 0.0 0.0
PHE 73 0 0.0 0.0 0.0 0.0 0.0
THR 74 0 0.0 0.0 0.0 0.0 0.0
VAL 75 0 0.0 0.0 0.0 0.0 0.0
GLU 76 0 0.0 0.0 0.0 0.0 0.0
ARG 77 0 0.0 0.0 0.0 0.0 0.0
LEU 78 0 0.0 0.0 0.0 0.0 0.0
SER 79 0 0.0 0.0 0.0 0.0 0.0
ASN 80 0 0.0 0.0 0.0 0.0 0.0
LEU 81 0 0.0 0.0 0.0 0.0 0.0
GLU 82 0 0.0 0.0 0.0 0.0 0.0
HIS 83 0 0.0 0.0 0.0 0.0 0.0
HIS 84 0 0.0 0.0 0.0 0.0 0.0
HIS 85 0 0.0 0.0 0.0 0.0 0.0
HIS 86 0 0.0 0.0 0.0 0.0 0.0
HIS 87 0 0.0 0.0 0.0 0.0 0.0
HIS 88 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 432 2098.0 592.0 536.0 970.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 2530.0
List of conformationally-resticting NOE constraints
#
# UPL file -- produced by PdbStat
#
4 PHE H 53 VAL HG2 4.46
2 THR HG2 4 PHE H 6.29 #peak 4
4 PHE H 6 ALA HB 6.50 #peak 4
4 PHE H 5 LEU HB3 6.50 #peak 5
4 PHE H 53 VAL HB 6.01
4 PHE H 54 LYS HA 4.29 #peak 10
3 ASP HA 4 PHE H 3.13 #peak 11
4 PHE H 52 PHE HA 4.84 #peak 13
4 PHE H 52 PHE HE 6.12 #peak 16
4 PHE H 53 VAL H 3.69
5 LEU H 5 LEU HB2 3.60
5 LEU H 5 LEU HB3 3.75
4 PHE HB 5 LEU H 3.65 #peak 22
5 LEU H 52 PHE HA 5.38 #peak 25
5 LEU H 53 VAL H 5.47
5 LEU H 6 ALA H 4.88 #peak 30
6 ALA H 59 LEU HD1 5.50 #peak 33
5 LEU HA 6 ALA H 3.51
4 PHE HA 6 ALA H 6.41 #peak 38
6 ALA H 51 ILE HA 6.50 #peak 38
6 ALA H 52 PHE HA 4.56
7 GLY H 59 LEU HD1 4.37 #peak 42
7 GLY H 59 LEU HD2 5.60 #peak 44
6 ALA HA 7 GLY H 3.30 #peak 48
7 GLY H 51 ILE H 5.49
6 ALA H 7 GLY H 5.09 #peak 52
8 ILE H 8 ILE HG13 4.46
8 ILE H 78 LEU HB2 4.58 #peak 56
8 ILE H 78 LEU HG 5.10
8 ILE H 49 LEU HB3 4.76 #peak 59
7 GLY H 8 ILE H 5.11
8 ILE H 51 ILE H 5.35 #peak 64
8 ILE HD1 9 ARG H 5.36
9 ARG H 9 ARG HB 3.82 #peak 67
9 ARG H 78 LEU HG 4.46 #peak 68
9 ARG H 76 GLU HB2 5.10 #peak 70
9 ARG H 63 MET HG2 6.46 #peak 71
9 ARG H 9 ARG HD 5.23
9 ARG H 77 ARG HA 4.74 #peak 74
9 ARG H 78 LEU H 5.33 #peak 77
9 ARG HE 78 LEU HD2 5.65 #peak 79
9 ARG HE 11 VAL HG2 4.72 #peak 80
9 ARG HE 10 ILE H 5.76 #peak 85
10 ILE H 22 ILE HG2 6.03 #peak 86
8 ILE HG2 10 ILE H 5.17 #peak 87
10 ILE H 78 LEU HD1 5.56 #peak 87
10 ILE H 11 VAL HG2 4.80 #peak 88
10 ILE H 10 ILE HG13 4.37
9 ARG HB 10 ILE H 4.49 #peak 91
9 ARG HG2 10 ILE H 4.89 #peak 91
10 ILE H 47 CYS HB2 5.86 #peak 93
10 ILE H 47 CYS HB3 5.47
10 ILE HG2 11 VAL H 3.65
11 VAL H 11 VAL HG2 3.63 #peak 99
10 ILE HB 11 VAL H 5.28
11 VAL H 11 VAL HB 4.03
11 VAL H 74 THR HB 4.80
10 ILE HA 11 VAL H 3.38 #peak 105
10 ILE H 11 VAL H 5.06 #peak 108
11 VAL H 73 PHE H 5.61 #peak 108
12 GLY H 44 ILE HG2 4.20 #peak 109
12 GLY H 46 THR HG2 6.32 #peak 110
11 VAL HB 12 GLY H 5.40 #peak 111
12 GLY H 18 MET HE 5.67 #peak 111
12 GLY H 72 VAL HA 5.33 #peak 114
12 GLY H 46 THR HA 4.32 #peak 115
11 VAL H 12 GLY H 4.94
12 GLY H 73 PHE H 5.68 #peak 118
13 GLU H 72 VAL HG1 6.33 #peak 119
81 LEU HD2 83 HIS H 6.50 #peak 119
13 GLU H 44 ILE HG2 4.71 #peak 120
13 GLU H 13 GLU HB3 3.70 #peak 121
13 GLU H 13 GLU HB2 3.86
13 GLU H 13 GLU HG 3.63
13 GLU H 71 GLY HA3 4.49 #peak 126
13 GLU H 72 VAL HA 4.70 #peak 126
13 GLU H 44 ILE HA 5.58 #peak 129
13 GLU H 45 PHE HD 5.72
13 GLU H 45 PHE HZ 6.01 #peak 131
83 HIS H 83 HIS HD2 4.56 #peak 132
12 GLY H 13 GLU H 4.91
13 GLU H 73 PHE H 4.79
13 GLU HB2 14 ASP H 4.21 #peak 137
15 LYS H 15 LYS HG 3.81 #peak 145
15 LYS H 18 MET HE 4.77
15 LYS H 18 MET HB2 4.10 #peak 149
13 GLU HG 15 LYS H 4.50 #peak 150
15 LYS H 18 MET HB3 4.10 #peak 151
15 LYS H 18 MET HG3 4.33 #peak 151
15 LYS H 18 MET HG2 4.33 #peak 152
15 LYS H 18 MET HA 5.84 #peak 153
14 ASP HA 15 LYS H 3.26 #peak 155
15 LYS H 44 ILE HA 6.50 #peak 156
15 LYS H 45 PHE HD 4.95
15 LYS H 18 MET H 4.29
14 ASP H 15 LYS H 4.66
15 LYS H 17 GLY H 5.24 #peak 160
15 LYS H 16 ASN H 5.83 #peak 161
15 LYS HB3 16 ASN H 5.51
16 ASN H 17 GLY H 5.76 #peak 169
16 ASN HA 16 ASN HD21 5.35 #peak 174
15 LYS HE 16 ASN HD22 5.14 #peak 179
16 ASN HA 16 ASN HD22 5.35
17 GLY H 18 MET HB2 6.50 #peak 184
17 GLY H 18 MET HB3 6.50 #peak 185
17 GLY H 18 MET HG2 5.96
16 ASN HA 17 GLY H 3.49 #peak 190
15 LYS HG 18 MET H 5.56 #peak 195
18 MET H 18 MET HE 5.02
18 MET H 18 MET HB2 3.68 #peak 198
18 MET H 18 MET HB3 3.68 #peak 199
18 MET H 18 MET HG3 4.00 #peak 199
18 MET H 18 MET HG2 4.00 #peak 200
14 ASP HA 18 MET H 5.83 #peak 205
18 MET H 21 GLN H 5.17 #peak 207
17 GLY H 18 MET H 3.74 #peak 208
18 MET H 21 GLN HE21 6.00
19 THR H 38 LEU HD2 5.53 #peak 211
19 THR H 38 LEU HD1 4.56
19 THR H 19 THR HG2 3.39 #peak 213
15 LYS HG 19 THR H 6.50 #peak 214
19 THR H 40 ALA HB 6.50 #peak 214
18 MET HE 19 THR H 5.52 #peak 215
18 MET HB2 19 THR H 4.08 #peak 216
18 MET HB3 19 THR H 4.08 #peak 217
19 THR H 19 THR HB 4.18
19 THR H 19 THR HG1 4.29 #peak 224
15 LYS H 19 THR H 5.55
18 MET H 19 THR H 3.79 #peak 226
19 THR H 21 GLN H 5.07 #peak 227
20 ASN H 38 LEU HD1 5.33 #peak 228
19 THR HG2 20 ASN H 4.29
20 ASN H 22 ILE HB 5.75
20 ASN H 21 GLN HB3 5.26 #peak 233
20 ASN H 21 GLN HG2 5.62 #peak 233
20 ASN H 21 GLN HG3 6.12
20 ASN H 20 ASN HB3 4.05 #peak 236
20 ASN H 20 ASN HB2 4.05
19 THR HB 20 ASN H 4.43
18 MET HA 20 ASN H 5.25 #peak 242
19 THR HG1 20 ASN H 4.73 #peak 244
20 ASN H 20 ASN HD22 5.58 #peak 245
20 ASN H 21 GLN HE21 6.04 #peak 245
20 ASN H 20 ASN HD21 5.16 #peak 246
20 ASN H 23 THR H 6.12 #peak 247
20 ASN H 21 GLN H 3.55 #peak 248
19 THR H 20 ASN H 3.58 #peak 249
20 ASN HA 20 ASN HD21 5.05
20 ASN HA 20 ASN HD22 5.33
21 GLN H 38 LEU HD1 6.50
19 THR HG2 21 GLN H 5.95 #peak 268
21 GLN H 22 ILE HB 5.54 #peak 269
21 GLN H 21 GLN HB2 3.73
21 GLN H 21 GLN HB3 3.48 #peak 271
21 GLN H 21 GLN HG3 4.09
20 ASN HB3 21 GLN H 4.38 #peak 273
20 ASN HB2 21 GLN H 4.38
19 THR HA 21 GLN H 5.58 #peak 275
18 MET HA 21 GLN H 4.10 #peak 277
21 GLN H 21 GLN HE21 5.44 #peak 278
20 ASN HD21 21 GLN H 5.61 #peak 279
21 GLN H 23 THR H 5.55 #peak 280
21 GLN H 22 ILE H 3.73
21 GLN HE21 22 ILE HD1 5.77 #peak 284
21 GLN HE21 69 VAL HG1 4.93
21 GLN HB3 21 GLN HE21 4.16 #peak 288
18 MET HA 21 GLN HE21 4.69 #peak 291
21 GLN HE22 69 VAL HG1 4.09 #peak 293
21 GLN HE22 22 ILE HD1 6.17 #peak 294
21 GLN HE22 69 VAL HG2 5.60 #peak 295
18 MET HE 21 GLN HE22 4.88 #peak 296
21 GLN HB3 21 GLN HE22 4.51 #peak 297
21 GLN HE22 69 VAL HA 6.50
21 GLN HA 21 GLN HE22 6.33 #peak 301
18 MET HA 21 GLN HE22 4.81 #peak 302
22 ILE H 22 ILE HG2 3.74
19 THR HG2 22 ILE H 5.79 #peak 306
22 ILE H 69 VAL HG1 6.22 #peak 306
22 ILE H 25 VAL HG2 5.11 #peak 307
22 ILE H 22 ILE HG12 4.23
22 ILE H 22 ILE HB 3.58
18 MET HE 22 ILE H 5.32 #peak 311
21 GLN HB2 22 ILE H 4.16
21 GLN HG2 22 ILE H 3.99 #peak 313
19 THR HA 22 ILE H 4.97 #peak 315
22 ILE H 23 THR HG1 5.18 #peak 319
18 MET HA 22 ILE H 4.94
22 ILE H 23 THR H 4.05 #peak 321
20 ASN H 22 ILE H 5.34 #peak 322
22 ILE H 24 GLY H 5.22
23 THR H 23 THR HG2 3.90 #peak 326
22 ILE HG12 23 THR H 5.85 #peak 328
19 THR HA 23 THR H 5.71
23 THR H 23 THR HB 3.94 #peak 332
23 THR H 23 THR HG1 3.59 #peak 333
22 ILE HG2 24 GLY H 4.70
23 THR HG2 24 GLY H 4.37
24 GLY H 25 VAL HG2 4.94 #peak 340
24 GLY H 26 ILE HB 6.50 #peak 341
24 GLY H 25 VAL HB 5.29 #peak 342
23 THR HB 24 GLY H 3.64 #peak 345
21 GLN HA 24 GLY H 3.93 #peak 346
23 THR HG1 24 GLY H 4.61 #peak 347
24 GLY H 27 SER HG 5.28 #peak 348
23 THR H 24 GLY H 4.01
24 GLY H 26 ILE H 5.25
25 VAL H 25 VAL HG1 3.80
22 ILE HB 25 VAL H 6.42 #peak 355
25 VAL H 25 VAL HB 3.54 #peak 356
22 ILE HA 25 VAL H 4.23 #peak 359
21 GLN HA 25 VAL H 4.86 #peak 360
25 VAL H 27 SER HG 5.72 #peak 361
25 VAL H 28 LYS H 5.42 #peak 362
23 THR H 25 VAL H 5.29 #peak 363
25 VAL H 26 ILE H 3.88 #peak 364
21 GLN H 25 VAL H 6.34 #peak 366
26 ILE H 26 ILE HG13 4.39 #peak 368
26 ILE H 26 ILE HB 4.11
26 ILE H 26 ILE HG12 4.39
25 VAL HB 26 ILE H 4.13 #peak 371
23 THR HA 26 ILE H 4.84 #peak 373
26 ILE H 28 LYS H 5.66
27 SER H 33 ILE HD1 5.06
23 THR HG2 27 SER H 4.55 #peak 379
26 ILE HB 27 SER H 4.45 #peak 380
27 SER H 33 ILE HG12 6.38 #peak 381
25 VAL HB 27 SER H 5.30 #peak 382
23 THR HA 27 SER H 5.06 #peak 384
25 VAL HA 27 SER H 5.33 #peak 384
27 SER H 27 SER HB3 3.92 #peak 385
27 SER H 27 SER HB2 3.92 #peak 387
27 SER H 27 SER HG 3.86 #peak 388
27 SER H 28 LYS H 3.99 #peak 389
26 ILE H 27 SER H 3.59 #peak 390
26 ILE HG2 28 LYS H 5.84 #peak 391
28 LYS H 33 ILE HD1 6.45 #peak 391
23 THR HG2 28 LYS H 6.50 #peak 392
28 LYS H 28 LYS HG2 4.09
28 LYS H 28 LYS HG3 4.09
28 LYS H 28 LYS HB3 3.77
28 LYS H 28 LYS HB2 3.77
26 ILE HA 28 LYS H 5.57 #peak 397
25 VAL HA 28 LYS H 4.60 #peak 399
27 SER HB3 28 LYS H 4.84 #peak 400
27 SER HB2 28 LYS H 4.84 #peak 402
27 SER HG 28 LYS H 4.23 #peak 405
26 ILE HG2 29 PHE H 5.76 #peak 408
29 PHE H 33 ILE HD1 6.34 #peak 408
29 PHE H 31 THR HG2 5.58 #peak 409
28 LYS HB3 29 PHE H 4.89 #peak 411
28 LYS HB2 29 PHE H 4.89
26 ILE HA 29 PHE H 5.05 #peak 413
29 PHE H 29 PHE HB3 3.91
29 PHE H 29 PHE HB2 3.91
27 SER HA 29 PHE H 5.52 #peak 416
28 LYS H 29 PHE H 3.53 #peak 419
29 PHE H 30 ASP H 5.23 #peak 422
30 ASP H 62 LEU HD2 5.70
30 ASP H 31 THR HG2 5.79 #peak 424
29 PHE HD 30 ASP H 4.86 #peak 429
30 ASP H 31 THR H 4.65 #peak 430
31 THR H 62 LEU HD1 5.59 #peak 432
30 ASP HB 31 THR H 4.53
29 PHE HB3 31 THR H 4.75 #peak 436
29 PHE HB2 31 THR H 4.75
30 ASP HA 31 THR H 3.48 #peak 439
29 PHE HD 31 THR H 4.52 #peak 442
31 THR H 32 ASN H 4.98
32 ASN H 51 ILE HD1 5.44
32 ASN H 51 ILE HG2 5.61 #peak 448
32 ASN H 51 ILE HB 5.36 #peak 450
32 ASN H 32 ASN HB3 4.00
32 ASN H 32 ASN HB2 4.00
31 THR HB 32 ASN H 4.18 #peak 453
32 ASN HD21 33 ILE HB 5.93 #peak 457
32 ASN HA 32 ASN HD21 5.16
32 ASN HD21 33 ILE H 4.82 #peak 463
32 ASN H 32 ASN HD22 6.13 #peak 473
32 ASN HD22 33 ILE H 6.41 #peak 473
33 ILE H 33 ILE HG13 4.07 #peak 475
33 ILE H 33 ILE HB 4.15
33 ILE H 33 ILE HG12 4.39 #peak 478
34 ARG H 35 THR HG2 6.50 #peak 493
34 ARG H 51 ILE HG12 6.50 #peak 493
33 ILE H 34 ARG H 5.67 #peak 498
5 LEU HD1 35 THR H 5.43
33 ILE HG2 35 THR H 3.98 #peak 500
35 THR H 50 MET HB3 4.58 #peak 504
35 THR H 50 MET HB2 4.58
35 THR H 50 MET HG2 6.02
35 THR H 35 THR HB 4.09
35 THR H 51 ILE HA 5.14 #peak 509
35 THR H 49 LEU HA 5.81
35 THR H 50 MET HA 5.30 #peak 512
35 THR H 83 HIS HE1 5.12 #peak 513
34 ARG H 35 THR H 3.77 #peak 514
35 THR H 50 MET H 4.16 #peak 515
36 ILE H 36 ILE HB 4.05 #peak 520
35 THR HB 36 ILE H 5.17
35 THR H 36 ILE H 5.08
36 ILE HG2 37 VAL H 4.38
35 THR HG2 37 VAL H 4.85 #peak 531
37 VAL H 48 ASN HB3 5.24
37 VAL H 48 ASN HB2 5.24 #peak 535
36 ILE HA 37 VAL H 3.50 #peak 536
37 VAL H 49 LEU HA 4.67 #peak 538
37 VAL H 48 ASN HA 5.67 #peak 539
37 VAL H 48 ASN H 4.40
37 VAL H 38 LEU H 5.00
37 VAL HB 38 LEU H 5.43 #peak 547
33 ILE HG2 50 MET H 4.28 #peak 554
38 LEU HG 39 ASN H 3.83 #peak 555
39 ASN H 39 ASN HB 3.80
38 LEU HA 39 ASN H 3.41 #peak 558
39 ASN H 48 ASN H 5.28 #peak 561
39 ASN HB 39 ASN HD22 3.75
39 ASN HB 39 ASN HD21 3.75
39 ASN HA 39 ASN HD22 5.52
39 ASN HA 39 ASN HD21 5.52
19 THR HG2 40 ALA H 5.78
40 ALA H 40 ALA HB 3.50
39 ASN HB 40 ALA H 3.95 #peak 577
39 ASN HA 40 ALA H 3.30 #peak 581
40 ALA H 45 PHE HA 5.28 #peak 582
40 ALA H 41 LYS H 4.67 #peak 583
39 ASN H 40 ALA H 4.79 #peak 584
41 LYS H 44 ILE HG2 5.18
41 LYS H 41 LYS HG 4.04 #peak 586
41 LYS H 41 LYS HB 3.88 #peak 587
41 LYS H 44 ILE HB 5.26 #peak 588
41 LYS H 45 PHE HB2 5.61 #peak 589
39 ASN HB 41 LYS H 6.02
41 LYS H 45 PHE HB3 5.61
41 LYS H 41 LYS HE 6.13 #peak 592
41 LYS H 44 ILE HA 5.91 #peak 594
40 ALA HA 41 LYS H 3.20 #peak 595
41 LYS H 45 PHE HA 3.96 #peak 596
41 LYS H 45 PHE HD 5.93 #peak 598
41 LYS H 46 THR H 4.65
41 LYS H 42 ASP H 4.65
41 LYS H 43 GLY H 5.02 #peak 603
41 LYS HG 42 ASP H 3.93
41 LYS HB 42 ASP H 4.01 #peak 605
42 ASP H 44 ILE H 5.36 #peak 610
43 GLY H 44 ILE HG2 6.30 #peak 612
43 GLY H 44 ILE HG13 5.45 #peak 613
40 ALA HB 43 GLY H 5.34 #peak 614
41 LYS HG 43 GLY H 5.96 #peak 614
41 LYS HB 43 GLY H 5.66 #peak 615
42 ASP HB2 43 GLY H 5.33 #peak 618
42 ASP HB3 43 GLY H 5.33
44 ILE H 44 ILE HG2 3.98
44 ILE H 44 ILE HG13 3.76
41 LYS HB 44 ILE H 6.50 #peak 630
44 ILE H 44 ILE HB 3.50
42 ASP HB2 44 ILE H 5.83 #peak 632
40 ALA HA 44 ILE H 5.28 #peak 636
41 LYS H 44 ILE H 3.95
43 GLY H 44 ILE H 3.53 #peak 640
44 ILE H 45 PHE H 4.64
41 LYS HG 44 ILE H 6.31 #peak 642
45 PHE H 46 THR HG2 5.97
40 ALA HB 45 PHE H 5.54
44 ILE HB 45 PHE H 3.79
13 GLU HG 45 PHE H 6.50 #peak 648
11 VAL HA 45 PHE H 5.19 #peak 652
44 ILE HA 45 PHE H 3.43 #peak 653
12 GLY H 45 PHE H 4.18 #peak 656
14 ASP H 45 PHE H 4.91 #peak 657
38 LEU HD2 46 THR H 5.44 #peak 658
38 LEU HD1 46 THR H 5.97
11 VAL HG2 46 THR H 4.59 #peak 660
40 ALA HB 46 THR H 4.91
38 LEU HG 46 THR H 5.47
45 PHE HB2 46 THR H 4.45 #peak 664
39 ASN HB 46 THR H 4.96 #peak 665
45 PHE HB3 46 THR H 4.45
40 ALA HA 46 THR H 4.18 #peak 669
45 PHE HA 46 THR H 3.50 #peak 670
39 ASN H 46 THR H 3.97 #peak 672
46 THR H 47 CYS H 5.12 #peak 673
22 ILE HG2 47 CYS H 5.65 #peak 674
11 VAL HG2 47 CYS H 4.38 #peak 675
10 ILE HG2 47 CYS H 5.10
10 ILE HB 47 CYS H 4.79 #peak 678
38 LEU HB 47 CYS H 6.21 #peak 679
38 LEU HG 47 CYS H 6.44 #peak 679
11 VAL HA 47 CYS H 4.77 #peak 683
45 PHE HD 47 CYS H 5.24
45 PHE HZ 47 CYS H 5.79 #peak 687
45 PHE HE 47 CYS H 5.59
10 ILE H 47 CYS H 4.32 #peak 691
36 ILE HD1 48 ASN H 5.17 #peak 692
37 VAL HG1 48 ASN H 4.65
47 CYS HG 48 ASN H 4.79 #peak 694
47 CYS HA 48 ASN H 3.56 #peak 698
47 CYS H 48 ASN H 5.16
48 ASN HD21 78 LEU HD2 5.18
37 VAL HB 48 ASN HD21 5.62
48 ASN HA 48 ASN HD21 6.05 #peak 709
48 ASN HD22 78 LEU HD1 4.66
37 VAL HG1 48 ASN HD22 5.63 #peak 712
37 VAL HB 48 ASN HD22 5.62 #peak 714
48 ASN HA 48 ASN HD22 6.05 #peak 718
8 ILE HD1 49 LEU H 5.95 #peak 720
26 ILE HD1 49 LEU H 6.34 #peak 720
49 LEU H 78 LEU HD1 4.24 #peak 721
10 ILE HG13 49 LEU H 5.85 #peak 723
8 ILE HB 49 LEU H 4.63 #peak 725
49 LEU H 49 LEU HG 5.24 #peak 725
49 LEU H 49 LEU HB3 4.07
48 ASN HB3 49 LEU H 5.19
48 ASN HB2 49 LEU H 5.19 #peak 728
48 ASN HA 49 LEU H 3.36 #peak 730
49 LEU HB2 50 MET H 4.37 #peak 733
49 LEU H 50 MET H 4.88 #peak 739
51 ILE H 51 ILE HG13 4.08 #peak 743
6 ALA HB 51 ILE H 4.40 #peak 744
51 ILE H 51 ILE HG12 4.62 #peak 744
50 MET HB3 51 ILE H 5.30 #peak 746
50 MET HB2 51 ILE H 5.30 #peak 747
50 MET HG2 51 ILE H 5.44
7 GLY HA3 51 ILE H 5.43 #peak 750
33 ILE HA 51 ILE H 6.12 #peak 751
5 LEU HA 51 ILE H 5.47 #peak 752
50 MET HA 51 ILE H 3.47 #peak 754
6 ALA H 51 ILE H 4.30 #peak 756
51 ILE HG12 52 PHE H 4.98 #peak 759
33 ILE HA 52 PHE H 5.80 #peak 764
34 ARG H 52 PHE H 5.26 #peak 768
51 ILE H 52 PHE H 5.58
6 ALA HB 53 VAL H 4.87 #peak 772
3 ASP HB3 53 VAL H 5.34
52 PHE HB2 53 VAL H 4.70
52 PHE HB3 53 VAL H 4.70
5 LEU HA 53 VAL H 4.55 #peak 778
4 PHE HA 53 VAL H 5.60
52 PHE HA 53 VAL H 3.36 #peak 782
52 PHE H 53 VAL H 5.04
53 VAL H 54 LYS H 5.37
6 ALA H 53 VAL H 4.96 #peak 787
54 LYS H 54 LYS HG2 4.61 #peak 790
53 VAL HB 54 LYS H 3.51 #peak 791
55 ASN H 56 THR HG2 6.05 #peak 797
53 VAL HB 55 ASN H 4.02 #peak 799
55 ASN H 58 LYS HB3 5.18 #peak 800
53 VAL HA 55 ASN H 5.03
54 LYS H 55 ASN H 4.26
54 LYS HE 55 ASN HD22 4.81 #peak 816
57 ASP H 58 LYS HG3 6.50 #peak 823
57 ASP H 58 LYS HB2 6.50 #peak 824
57 ASP H 58 LYS HB3 6.50 #peak 824
57 ASP H 57 ASP HB 3.34 #peak 825
55 ASN HB3 57 ASP H 5.08 #peak 826
55 ASN HB2 57 ASP H 5.08 #peak 827
57 ASP H 59 LEU H 5.43 #peak 831
56 THR H 57 ASP H 5.01 #peak 832
53 VAL HG2 58 LYS H 4.99 #peak 834
53 VAL HG1 58 LYS H 5.68 #peak 835
58 LYS H 58 LYS HG3 4.29 #peak 837
57 ASP HB 58 LYS H 3.66 #peak 838
56 THR HA 58 LYS H 5.86
58 LYS H 59 LEU H 3.82 #peak 843
53 VAL HG2 59 LEU H 4.89
53 VAL HG1 59 LEU H 5.04
59 LEU H 60 THR HG2 5.45 #peak 848
59 LEU H 59 LEU HB3 4.13
58 LYS HG3 59 LEU H 4.92 #peak 850
53 VAL HB 59 LEU H 5.58
59 LEU H 59 LEU HB2 4.13
57 ASP HB 59 LEU H 5.72 #peak 854
56 THR HB 59 LEU H 5.57 #peak 858
59 LEU HD1 60 THR H 5.00
59 LEU HD2 60 THR H 4.62 #peak 862
59 LEU HB3 60 THR H 4.29
59 LEU HG 60 THR H 4.69
60 THR H 63 MET HE 5.54 #peak 866
59 LEU HB2 60 THR H 4.29
57 ASP HB 60 THR H 5.68
56 THR HA 60 THR H 4.92
58 LYS HA 60 THR H 5.77
59 LEU H 60 THR H 3.85
58 LYS H 60 THR H 4.56 #peak 876
60 THR HG2 61 THR H 4.18 #peak 878
58 LYS HG3 61 THR H 6.50 #peak 879
58 LYS HD 61 THR H 6.50 #peak 879
58 LYS HA 61 THR H 4.68 #peak 882
61 THR H 61 THR HB 3.58 #peak 883
58 LYS HZ 61 THR H 5.87 #peak 886
59 LEU H 61 THR H 5.43 #peak 887
61 THR H 62 LEU H 3.83
61 THR H 63 MET H 4.49 #peak 889
60 THR H 61 THR H 3.88
8 ILE HD1 62 LEU H 6.32 #peak 893
59 LEU HD1 62 LEU H 4.85 #peak 894
62 LEU H 62 LEU HB2 3.91
62 LEU H 62 LEU HG 3.37 #peak 896
62 LEU H 63 MET HG2 6.50 #peak 897
62 LEU H 63 MET HG3 5.77
59 LEU HA 62 LEU H 4.57 #peak 900
58 LYS HA 62 LEU H 5.50 #peak 902
61 THR HB 62 LEU H 3.86
58 LYS HZ 62 LEU H 5.25 #peak 904
59 LEU H 62 LEU H 5.51 #peak 905
62 LEU H 63 MET H 3.70
60 THR H 62 LEU H 5.18 #peak 908
59 LEU HD1 63 MET H 5.30 #peak 912
63 MET H 66 LEU HD1 5.38 #peak 912
62 LEU HB2 63 MET H 4.34
62 LEU HB3 63 MET H 4.04 #peak 914
63 MET H 63 MET HB3 3.98 #peak 916
63 MET H 63 MET HG2 4.20 #peak 916
63 MET H 63 MET HB2 3.98 #peak 917
63 MET H 63 MET HG3 3.79 #peak 918
64 ASP H 75 VAL HG1 4.71 #peak 924
61 THR HG2 64 ASP H 5.06 #peak 925
64 ASP H 65 LYS HG3 5.19 #peak 926
63 MET HB3 64 ASP H 4.21 #peak 927
63 MET HB2 64 ASP H 4.21 #peak 928
64 ASP H 64 ASP HB2 3.28 #peak 930
62 LEU HA 64 ASP H 5.78 #peak 931
60 THR HA 64 ASP H 5.07 #peak 933
61 THR HA 64 ASP H 4.29 #peak 934
65 LYS H 65 LYS HG3 3.58
65 LYS H 65 LYS HB3 3.86 #peak 939
65 LYS HB3 66 LEU H 4.14 #peak 939
65 LYS H 65 LYS HB2 3.32 #peak 940
64 ASP HB2 65 LYS H 3.87 #peak 942
65 LYS H 65 LYS HE 5.79 #peak 943
65 LYS H 68 LYS HE 6.47 #peak 943
62 LEU HA 65 LYS H 4.34 #peak 944
64 ASP H 65 LYS H 3.50
62 LEU HD2 65 LYS H 6.21 #peak 948
62 LEU HD2 66 LEU H 6.50 #peak 948
62 LEU HD1 65 LYS H 6.50 #peak 949
62 LEU HD1 66 LEU H 6.50 #peak 949
66 LEU H 66 LEU HD1 3.96
62 LEU HB2 65 LYS H 5.95 #peak 951
66 LEU H 69 VAL HG2 6.32 #peak 951
66 LEU H 66 LEU HB3 3.97
66 LEU H 66 LEU HB2 3.97 #peak 953
63 MET HA 66 LEU H 4.62 #peak 954
67 ARG H 75 VAL HG1 3.83 #peak 962
67 ARG H 75 VAL HG2 4.11 #peak 962
67 ARG H 69 VAL HG2 5.27 #peak 963
66 LEU HB3 67 ARG H 4.35 #peak 964
67 ARG H 67 ARG HG2 4.71 #peak 965
67 ARG H 67 ARG HB 3.22 #peak 966
66 LEU HB2 67 ARG H 4.35 #peak 967
67 ARG H 67 ARG HD 4.79
64 ASP HA 67 ARG H 4.25
67 ARG H 67 ARG HE 5.76 #peak 976
66 LEU H 67 ARG H 3.62 #peak 977
64 ASP H 67 ARG H 4.84 #peak 978
67 ARG HE 75 VAL HG2 5.28 #peak 980
67 ARG HB 67 ARG HE 4.66 #peak 982
67 ARG HE 75 VAL HB 4.87 #peak 982
67 ARG HA 67 ARG HE 5.42 #peak 984
64 ASP HA 67 ARG HE 5.78 #peak 985
67 ARG HE 75 VAL H 5.05 #peak 988
68 LYS H 75 VAL HG2 4.99 #peak 989
68 LYS H 69 VAL HG2 4.13
68 LYS H 68 LYS HG3 4.18 #peak 991
68 LYS H 68 LYS HB2 3.26 #peak 993
67 ARG HB 68 LYS H 3.77 #peak 994
68 LYS H 68 LYS HB3 3.70
68 LYS H 69 VAL HB 5.65 #peak 996
65 LYS HA 68 LYS H 4.24 #peak 999
64 ASP HA 68 LYS H 5.20 #peak 1001
68 LYS H 69 VAL H 3.28 #peak 1002
66 LEU H 68 LYS H 4.58
67 ARG H 68 LYS H 3.54 #peak 1004
69 VAL H 69 VAL HG2 3.19
68 LYS HG3 69 VAL H 5.75 #peak 1009
68 LYS HB2 69 VAL H 4.53
67 ARG HB 69 VAL H 4.98 #peak 1012
68 LYS HB3 69 VAL H 4.44 #peak 1013
69 VAL H 69 VAL HB 3.27 #peak 1014
66 LEU HA 69 VAL H 4.57
69 VAL H 72 VAL H 4.80
67 ARG H 69 VAL H 5.00 #peak 1020
69 VAL H 70 GLN H 4.47
69 VAL HG1 70 GLN H 3.52
70 GLN H 70 GLN HB 3.04 #peak 1024
69 VAL HB 70 GLN H 4.89 #peak 1025
69 VAL HA 70 GLN H 2.95 #peak 1027
70 GLN H 72 VAL H 5.63
70 GLN HG 70 GLN HE21 3.92
70 GLN HG 70 GLN HE22 3.92
69 VAL HG1 71 GLY H 4.42 #peak 1038
70 GLN HB 71 GLY H 3.82 #peak 1040
13 GLU HG 71 GLY H 5.54 #peak 1041
70 GLN HG 71 GLY H 3.95 #peak 1042
69 VAL HG1 72 VAL H 3.50 #peak 1047
72 VAL H 72 VAL HG1 3.93
69 VAL HG2 72 VAL H 4.76 #peak 1049
72 VAL H 72 VAL HB 3.19 #peak 1051
70 GLN HA 72 VAL H 4.29 #peak 1053
13 GLU H 72 VAL H 5.38 #peak 1056
71 GLY H 72 VAL H 3.34 #peak 1058
72 VAL H 73 PHE H 5.07 #peak 1059
72 VAL HG2 73 PHE H 4.39
11 VAL HB 73 PHE H 5.69 #peak 1062
72 VAL HB 73 PHE H 5.21 #peak 1063
12 GLY HA3 73 PHE H 4.40
12 GLY HA2 73 PHE H 4.35
72 VAL HG1 74 THR H 3.72
74 THR H 75 VAL HG2 3.90 #peak 1075
11 VAL HB 74 THR H 4.77
72 VAL HB 74 THR H 5.75 #peak 1078
73 PHE HB2 74 THR H 4.18
12 GLY HA2 74 THR H 4.75 #peak 1081
12 GLY HA3 74 THR H 5.42 #peak 1082
72 VAL HA 74 THR H 4.33
11 VAL H 74 THR H 3.83 #peak 1088
73 PHE H 74 THR H 3.55 #peak 1089
75 VAL H 75 VAL HG2 3.71
72 VAL HG1 75 VAL H 4.96 #peak 1091
74 THR HG2 75 VAL H 4.36 #peak 1092
75 VAL H 75 VAL HB 3.82 #peak 1093
75 VAL H 76 GLU HG 5.02 #peak 1094
67 ARG HD 75 VAL H 6.18 #peak 1095
67 ARG HA 75 VAL H 6.43 #peak 1096
74 THR H 75 VAL H 4.86
75 VAL HG1 76 GLU H 3.54 #peak 1103
10 ILE HG2 76 GLU H 6.16 #peak 1104
10 ILE HG13 76 GLU H 6.50 #peak 1104
9 ARG HB 76 GLU H 4.51 #peak 1105
76 GLU H 76 GLU HB2 3.97 #peak 1106
76 GLU H 76 GLU HB3 4.17 #peak 1107
76 GLU H 76 GLU HG 4.11 #peak 1108
75 VAL HA 76 GLU H 3.26 #peak 1110
10 ILE HA 76 GLU H 4.57 #peak 1111
9 ARG HA 76 GLU H 5.78
75 VAL H 76 GLU H 4.62
9 ARG H 76 GLU H 4.00 #peak 1114
10 ILE H 76 GLU H 6.00 #peak 1115
77 ARG H 77 ARG HB2 3.62 #peak 1116
76 GLU HB2 77 ARG H 3.75 #peak 1117
77 ARG H 77 ARG HB3 3.62 #peak 1117
76 GLU HB3 77 ARG H 4.03
76 GLU HG 77 ARG H 4.57 #peak 1119
77 ARG H 77 ARG HD 4.95
77 ARG H 78 LEU H 4.87 #peak 1123
78 LEU H 78 LEU HD1 4.10 #peak 1127
78 LEU H 78 LEU HB2 3.78 #peak 1128
77 ARG HG2 78 LEU H 4.61 #peak 1130
7 GLY HA3 78 LEU H 5.31 #peak 1132
8 ILE HA 78 LEU H 4.16 #peak 1135
7 GLY HA2 78 LEU H 5.59 #peak 1136
7 GLY H 78 LEU H 5.08 #peak 1137
78 LEU H 79 SER H 5.70 #peak 1137
8 ILE H 78 LEU H 5.16
78 LEU HD2 79 SER H 4.56 #peak 1140
78 LEU HB2 79 SER H 5.58 #peak 1141
78 LEU HG 79 SER H 6.24 #peak 1141
78 LEU HB3 79 SER H 5.25
79 SER HB 80 ASN H 5.00 #peak 1147
78 LEU HA 80 ASN H 5.10 #peak 1148
81 LEU H 81 LEU HD1 4.36 #peak 1160
81 LEU H 81 LEU HB2 3.30 #peak 1161
81 LEU H 81 LEU HG 3.53 #peak 1161
50 MET HE 81 LEU H 6.48 #peak 1162
81 LEU HD2 82 GLU H 4.62 #peak 1167
81 LEU HB3 82 GLU H 3.91 #peak 1168
82 GLU H 82 GLU HB 3.47 #peak 1169
82 GLU H 82 GLU HG2 4.29 #peak 1170
81 LEU HA 82 GLU H 3.38 #peak 1172
82 GLU H 83 HIS HD2 5.76 #peak 1173
5 LEU H 81 LEU HD1 6.33 #peak 1177
8 ILE H 77 ARG HA 5.78 #peak 1181
11 VAL H 75 VAL HA 4.84 #peak 1183
15 LYS H 45 PHE HE 5.54
21 GLN HA 21 GLN HE21 5.51 #peak 1186
25 VAL HG1 28 LYS H 5.57
37 VAL H 49 LEU H 5.62 #peak 1193
38 LEU HG 40 ALA H 6.41 #peak 1195
40 ALA H 41 LYS HD 6.15 #peak 1195
41 LYS HD 42 ASP H 5.59
42 ASP HB3 44 ILE H 5.83 #peak 1198
14 ASP H 44 ILE HA 4.01 #peak 1199
14 ASP HA 45 PHE H 6.24 #peak 1200
45 PHE H 45 PHE HE 5.86
10 ILE HG12 47 CYS H 6.50 #peak 1202
38 LEU HB 48 ASN H 5.72 #peak 1203
47 CYS HB2 48 ASN H 5.87
3 ASP HA 53 VAL H 5.10 #peak 1205
56 THR HG2 58 LYS H 6.03 #peak 1206
58 LYS HB2 60 THR H 6.50 #peak 1207
58 LYS HB3 60 THR H 6.50 #peak 1207
12 GLY HA3 72 VAL H 5.66
10 ILE HA 75 VAL H 6.21 #peak 1211
73 PHE HA 75 VAL H 6.50 #peak 1211
2 THR HA 2 THR HG2 3.32
3 ASP HB2 53 VAL H 5.34
3 ASP HB3 54 LYS HA 5.60
4 PHE HB 52 PHE HD 6.34 #peak 22
5 LEU HB3 50 MET HE 5.13 #peak 29
5 LEU HB3 52 PHE HZ 6.02
5 LEU HB3 6 ALA H 4.97
5 LEU HB2 6 ALA H 5.13
5 LEU HG 51 ILE HA 6.50 #peak 49
4 PHE HD 5 LEU HG 5.99
5 LEU HG 52 PHE HE 5.41 #peak 51
5 LEU H 5 LEU HG 4.70
5 LEU HG 6 ALA H 4.77
5 LEU HB2 5 LEU HD1 3.45 #peak 55
5 LEU HB3 5 LEU HD1 3.82
5 LEU HD1 50 MET HE 3.56 #peak 58
5 LEU HD1 50 MET HG2 5.20
5 LEU HD1 50 MET HG3 5.45 #peak 61
5 LEU HD1 34 ARG HD3 5.98 #peak 62
5 LEU HD1 34 ARG HD2 5.98 #peak 63
5 LEU HA 5 LEU HD1 3.44
5 LEU HD1 51 ILE HA 4.71 #peak 67
5 LEU HD1 52 PHE HA 4.38 #peak 68
5 LEU HD1 50 MET HA 4.62 #peak 69
5 LEU HD1 52 PHE H 5.45
5 LEU H 5 LEU HD1 4.55
5 LEU HD1 34 ARG H 5.56 #peak 75
5 LEU HD1 53 VAL H 5.96 #peak 75
5 LEU HD1 51 ILE H 4.31 #peak 76
5 LEU HD1 6 ALA H 3.70 #peak 77
5 LEU HB2 5 LEU HD2 3.47
5 LEU HB3 5 LEU HD2 3.48
5 LEU HD2 50 MET HG2 6.01 #peak 82
5 LEU HD2 83 HIS HB3 4.95 #peak 84
5 LEU HA 5 LEU HD2 4.23
5 LEU HD2 6 ALA HA 5.94
5 LEU HD2 51 ILE HA 5.72
5 LEU HD2 52 PHE HA 5.58
5 LEU H 5 LEU HD2 4.55
5 LEU HD2 6 ALA H 5.13
6 ALA HB 51 ILE HD1 3.88 #peak 94
6 ALA HB 7 GLY HA3 5.60
6 ALA HB 59 LEU HA 5.61
6 ALA HB 52 PHE HA 5.26 #peak 102
6 ALA HB 7 GLY HA2 4.69
6 ALA HB 78 LEU H 6.14 #peak 106
6 ALA HB 60 THR H 6.50
6 ALA HB 7 GLY H 3.57
6 ALA H 6 ALA HB 3.54
7 GLY HA3 78 LEU HB2 4.89 #peak 117
7 GLY HA2 8 ILE HB 5.30 #peak 127
8 ILE H 8 ILE HB 3.93 #peak 128
8 ILE HG12 77 ARG HA 5.50 #peak 132
8 ILE H 8 ILE HG12 4.46
8 ILE HG13 77 ARG HA 5.50 #peak 140
8 ILE HG2 10 ILE HG12 3.35 #peak 146
8 ILE HG2 63 MET HG2 4.50 #peak 147
8 ILE HG2 63 MET HG3 4.28 #peak 149
8 ILE HG2 77 ARG HD 6.18 #peak 150
8 ILE HG2 77 ARG HA 4.12 #peak 151
8 ILE HG2 9 ARG HA 4.45 #peak 153
8 ILE HG2 63 MET H 5.11 #peak 154
8 ILE HG2 78 LEU H 5.59 #peak 154
7 GLY H 8 ILE HG2 6.50 #peak 155
8 ILE HG2 11 VAL H 6.50 #peak 155
8 ILE HG2 75 VAL H 6.50 #peak 155
8 ILE HG2 9 ARG H 3.35 #peak 156
8 ILE HD1 62 LEU HD2 3.99 #peak 157
8 ILE HD1 62 LEU HD1 3.64 #peak 158
26 ILE HD1 49 LEU HB2 3.53 #peak 159
8 ILE HB 8 ILE HD1 3.23 #peak 160
33 ILE HB 33 ILE HD1 3.47 #peak 161
8 ILE HD1 63 MET HG2 4.70 #peak 162
8 ILE HD1 63 MET HG3 4.10 #peak 164
23 THR HA 26 ILE HD1 3.74 #peak 165
8 ILE HD1 77 ARG HA 5.04 #peak 166
8 ILE HA 8 ILE HD1 4.36 #peak 167
26 ILE HD1 27 SER H 4.92 #peak 168
24 GLY H 26 ILE HD1 5.90 #peak 169
8 ILE HD1 63 MET H 4.62 #peak 170
8 ILE H 8 ILE HD1 4.32
9 ARG HA 10 ILE HD1 5.31 #peak 173
9 ARG HA 11 VAL HG2 5.76 #peak 173
9 ARG HA 47 CYS H 5.55 #peak 179
9 ARG HG3 10 ILE H 4.89 #peak 195
9 ARG HB 9 ARG HD 3.50 #peak 199
9 ARG HD 76 GLU HB2 6.18 #peak 200
9 ARG HD 11 VAL HB 5.62 #peak 201
9 ARG HD 76 GLU HG 6.39 #peak 202
9 ARG HA 9 ARG HD 4.91
9 ARG HD 46 THR HG1 5.27
9 ARG HD 10 ILE H 5.35 #peak 207
10 ILE HB 22 ILE HG2 5.28 #peak 208
9 ARG HA 10 ILE HB 5.57 #peak 213
10 ILE HB 48 ASN HA 6.10 #peak 213
9 ARG HA 10 ILE HG12 6.07
10 ILE HG12 11 VAL H 4.98 #peak 221
9 ARG H 10 ILE HG12 5.89 #peak 222
10 ILE H 10 ILE HG12 4.73
10 ILE HG13 47 CYS HB2 5.86 #peak 227
10 ILE HG13 47 CYS HB3 5.57 #peak 228
10 ILE HG13 75 VAL HA 5.71
9 ARG HA 10 ILE HG13 5.83 #peak 231
10 ILE HG13 45 PHE HE 6.50 #peak 232
10 ILE HG13 11 VAL H 5.54 #peak 233
10 ILE HG12 75 VAL HA 5.09 #peak 235
10 ILE HG2 18 MET HE 4.49 #peak 238
10 ILE HG2 72 VAL HB 5.03 #peak 240
10 ILE HG2 47 CYS HB2 5.42
10 ILE HG2 47 CYS HB3 4.61 #peak 242
10 ILE HG2 72 VAL HA 4.79
10 ILE HG2 22 ILE HA 5.67 #peak 244
10 ILE HG2 67 ARG HA 6.21 #peak 244
10 ILE HG2 75 VAL HA 4.48 #peak 245
9 ARG HA 10 ILE HG2 5.50
10 ILE HG2 72 VAL H 5.62 #peak 250
10 ILE HG2 74 THR H 4.86 #peak 251
10 ILE H 10 ILE HG2 4.31
10 ILE HD1 22 ILE HG2 2.93 #peak 255
8 ILE HB 10 ILE HD1 4.08 #peak 256
10 ILE HB 10 ILE HD1 3.46
10 ILE HD1 47 CYS HB2 4.82
10 ILE HD1 47 CYS HB3 3.93 #peak 261
10 ILE HD1 22 ILE HA 5.93 #peak 262
10 ILE HD1 63 MET HA 6.50 #peak 262
10 ILE HD1 66 LEU HA 5.55 #peak 263
10 ILE HD1 75 VAL HA 5.48 #peak 264
10 ILE HA 10 ILE HD1 4.37
10 ILE HD1 45 PHE HZ 5.90
10 ILE HD1 45 PHE HE 4.94
10 ILE HD1 29 PHE HZ 5.78 #peak 269
10 ILE HD1 66 LEU H 6.05 #peak 270
10 ILE HD1 11 VAL H 5.46 #peak 271
8 ILE H 10 ILE HD1 6.38 #peak 272
9 ARG H 10 ILE HD1 6.50 #peak 272
10 ILE HD1 48 ASN H 6.50 #peak 272
10 ILE H 10 ILE HD1 4.38 #peak 273
10 ILE HD1 49 LEU H 4.72 #peak 273
10 ILE HD1 47 CYS H 4.96 #peak 274
10 ILE HA 11 VAL HB 5.40 #peak 279
11 VAL HB 46 THR HA 5.92 #peak 279
11 VAL HB 73 PHE HD 5.81 #peak 280
11 VAL HG2 46 THR HG2 3.45 #peak 284
9 ARG HD 11 VAL HG2 4.11 #peak 288
11 VAL HG2 46 THR HB 3.93 #peak 289
11 VAL HA 11 VAL HG2 3.38
11 VAL HG2 40 ALA HA 6.50 #peak 292
11 VAL HG2 46 THR HG1 5.25
11 VAL HG2 45 PHE HE 5.98 #peak 294
11 VAL HG2 73 PHE HD 6.20
11 VAL HG2 12 GLY H 4.40
11 VAL HG2 74 THR H 5.99 #peak 298
11 VAL HG1 41 LYS HE 5.08 #peak 304
11 VAL HG1 73 PHE HB2 5.47
11 VAL HG1 12 GLY HA3 6.42
11 VAL HG1 12 GLY HA2 6.00
11 VAL HG1 46 THR HB 5.81 #peak 308
11 VAL HG1 74 THR HB 6.50 #peak 308
11 VAL HA 11 VAL HG1 3.44
11 VAL HG1 46 THR HA 4.02 #peak 310
11 VAL HG1 73 PHE HD 3.81 #peak 311
11 VAL HG1 73 PHE HE 4.24 #peak 312
11 VAL HG1 12 GLY H 3.59 #peak 313
11 VAL HG1 74 THR H 4.93 #peak 314
11 VAL HG1 44 ILE H 6.01 #peak 315
11 VAL H 11 VAL HG1 4.60
12 GLY HA3 69 VAL HG1 5.27 #peak 317
12 GLY HA2 72 VAL HG1 5.53
12 GLY HA2 72 VAL HA 4.82
13 GLU HB3 44 ILE HD1 5.94 #peak 329
13 GLU HB3 15 LYS HG 5.16
13 GLU HB3 15 LYS HD 5.53 #peak 331
13 GLU HB3 71 GLY HA3 5.86
13 GLU HB3 71 GLY HA2 5.51 #peak 335
13 GLU HB3 44 ILE HA 5.80 #peak 336
13 GLU HB2 15 LYS HD 4.76
12 GLY HA2 13 GLU HB2 6.24 #peak 342
13 GLU HB2 71 GLY HA3 6.50
13 GLU HB2 15 LYS HA 6.35 #peak 345
13 GLU HB2 71 GLY HA2 6.50 #peak 345
13 GLU HB2 44 ILE HA 5.37
13 GLU HB2 73 PHE HE 4.24
13 GLU HG 44 ILE HG2 5.29 #peak 349
13 GLU HG 72 VAL HG2 5.86 #peak 349
13 GLU HG 69 VAL HG1 5.18 #peak 350
13 GLU HG 15 LYS HD 4.13
13 GLU HG 15 LYS HE 5.35 #peak 356
12 GLY HA3 13 GLU HG 5.61
13 GLU HG 71 GLY HA3 4.36 #peak 358
13 GLU HG 71 GLY HA2 4.38 #peak 360
13 GLU HG 14 ASP HA 6.01
13 GLU HG 44 ILE HA 5.94
13 GLU HG 45 PHE HE 5.75 #peak 363
13 GLU HG 73 PHE HD 5.73 #peak 364
14 ASP HB2 44 ILE HA 5.81 #peak 373
14 ASP HB3 43 GLY HA2 5.69
14 ASP HB3 44 ILE HA 5.81 #peak 381
13 GLU HG 15 LYS HB2 5.03
15 LYS HB2 16 ASN H 5.51
13 GLU HG 15 LYS HB3 5.03
15 LYS HG 18 MET HE 5.61 #peak 404
13 GLU HB2 15 LYS HG 4.20
13 GLU HG 15 LYS HG 4.07
14 ASP H 15 LYS HG 5.47
15 LYS HA 15 LYS HD 4.92
15 LYS HD 71 GLY HA2 5.46
11 VAL HG2 41 LYS HE 4.73 #peak 417
41 LYS HE 44 ILE HD1 5.26 #peak 417
25 VAL HG2 65 LYS HE 6.50 #peak 418
68 LYS HE 69 VAL HG2 6.50 #peak 418
15 LYS HG 15 LYS HE 2.86 #peak 419
41 LYS HG 41 LYS HE 3.02 #peak 419
41 LYS HA 41 LYS HE 6.12 #peak 420
64 ASP HA 68 LYS HE 6.24 #peak 420
15 LYS HA 15 LYS HE 4.98 #peak 421
29 PHE HA 65 LYS HE 5.58 #peak 421
16 ASN HB2 17 GLY H 4.55 #peak 434
16 ASN HB3 17 GLY H 4.55 #peak 441
16 ASN HA 17 GLY HA2 5.26 #peak 444
17 GLY HA2 18 MET HA 5.64 #peak 444
16 ASN HA 17 GLY HA3 5.26 #peak 448
17 GLY HA3 18 MET HA 5.64 #peak 448
18 MET HA 21 GLN HG2 3.96 #peak 453
18 MET HA 21 GLN HA 5.46
17 GLY H 18 MET HG3 5.96 #peak 489
18 MET HE 69 VAL HG2 4.92 #peak 496
18 MET HE 22 ILE HG12 3.90 #peak 497
18 MET HG3 18 MET HE 3.91 #peak 498
18 MET HG2 18 MET HE 3.91
12 GLY HA3 18 MET HE 4.63
18 MET HE 71 GLY HA3 3.50 #peak 501
18 MET HA 18 MET HE 4.05 #peak 503
18 MET HE 71 GLY HA2 3.60 #peak 504
18 MET HE 45 PHE HZ 3.68 #peak 506
18 MET HE 45 PHE HE 3.32 #peak 507
18 MET HE 72 VAL H 3.79 #peak 510
13 GLU H 18 MET HE 4.20 #peak 512
18 MET HE 21 GLN H 6.50
18 MET HE 70 GLN H 5.55
18 MET HE 71 GLY H 3.76 #peak 515
18 MET HE 73 PHE H 5.58
19 THR HA 38 LEU HD1 3.85 #peak 517
19 THR HB 38 LEU HD1 4.16 #peak 523
19 THR HG2 45 PHE HB2 4.37 #peak 530
19 THR HG2 45 PHE HB3 4.37
19 THR HA 19 THR HG2 3.45
72 VAL HA 72 VAL HG2 3.68 #peak 533
19 THR HG2 19 THR HG1 3.68
18 MET H 19 THR HG2 4.98 #peak 536
72 VAL HG2 74 THR H 5.75 #peak 536
20 ASN HA 23 THR H 5.47 #peak 541
21 GLN HB3 69 VAL HG1 5.87 #peak 566
21 GLN HB3 22 ILE H 4.35
21 GLN HB2 69 VAL HG1 5.54 #peak 575
21 GLN HB2 22 ILE HD1 5.62 #peak 576
21 GLN HB2 25 VAL HG2 5.34
20 ASN H 21 GLN HB2 6.03 #peak 580
21 GLN HG2 69 VAL HG1 4.39 #peak 583
21 GLN HG2 25 VAL HG2 5.24 #peak 584
21 GLN HG2 69 VAL HG2 5.64 #peak 584
21 GLN HG2 22 ILE HA 5.11 #peak 586
21 GLN HA 21 GLN HG2 3.99
18 MET H 21 GLN HG2 5.80 #peak 591
21 GLN H 21 GLN HG2 3.77 #peak 592
21 GLN HG3 25 VAL HG2 4.36
21 GLN HG3 69 VAL HG2 4.86
18 MET HA 21 GLN HG3 4.29
21 GLN HG3 25 VAL H 5.14 #peak 598
22 ILE HA 69 VAL HG2 4.98
22 ILE HA 25 VAL HB 4.29
22 ILE HA 23 THR HA 5.10 #peak 608
21 GLN HE21 22 ILE HA 6.50 #peak 609
22 ILE HA 26 ILE H 5.14
19 THR HG2 22 ILE HB 4.84 #peak 615
10 ILE HG2 22 ILE HB 6.01 #peak 616
22 ILE HB 47 CYS HG 6.50 #peak 616
21 GLN HG2 22 ILE HB 5.10
19 THR HA 22 ILE HB 4.73
22 ILE HB 45 PHE HZ 5.42
22 ILE HB 45 PHE HE 5.38 #peak 625
22 ILE HB 23 THR H 4.45
21 GLN HG2 22 ILE HG12 5.70 #peak 634
21 GLN HB2 22 ILE HG12 6.26 #peak 635
22 ILE HG12 45 PHE HZ 5.04
22 ILE HG12 45 PHE HE 4.97
18 MET HE 22 ILE HG13 5.28 #peak 644
21 GLN HG2 22 ILE HG13 6.20 #peak 645
19 THR HA 22 ILE HG13 5.54 #peak 646
22 ILE HG13 23 THR H 5.48
20 ASN H 22 ILE HG13 6.50
22 ILE H 22 ILE HG13 4.52
22 ILE HG2 22 ILE HG13 3.57
22 ILE HG2 22 ILE HG12 3.77
26 ILE HG2 49 LEU HB2 4.13
18 MET HE 22 ILE HG2 5.38 #peak 656
22 ILE HG2 25 VAL HB 5.71 #peak 656
21 GLN HG2 22 ILE HG2 5.40 #peak 657
19 THR HA 22 ILE HG2 3.97 #peak 659
22 ILE HA 22 ILE HG2 3.53 #peak 660
22 ILE HG2 23 THR HG1 4.13 #peak 661
26 ILE HG2 49 LEU HA 6.34 #peak 662
22 ILE HG2 45 PHE HD 4.69
22 ILE HG2 23 THR H 3.71 #peak 666
22 ILE HG2 25 VAL H 5.49 #peak 667
25 VAL H 26 ILE HG2 6.03 #peak 667
21 GLN H 22 ILE HG2 6.08
10 ILE HG2 22 ILE HD1 3.15 #peak 672
22 ILE HD1 69 VAL HG2 3.57 #peak 672
22 ILE HB 22 ILE HD1 3.65
18 MET HE 22 ILE HD1 3.69 #peak 676
21 GLN HG2 22 ILE HD1 4.37 #peak 677
22 ILE HD1 69 VAL HB 4.56 #peak 677
22 ILE HD1 23 THR HA 5.37 #peak 678
22 ILE HA 22 ILE HD1 3.24 #peak 679
22 ILE HD1 66 LEU HA 4.74 #peak 680
22 ILE HD1 69 VAL H 5.30 #peak 683
22 ILE HD1 23 THR H 5.14
22 ILE HD1 26 ILE H 5.63 #peak 685
22 ILE HD1 72 VAL H 5.09 #peak 686
22 ILE HD1 25 VAL H 5.43 #peak 687
22 ILE HD1 24 GLY H 5.92 #peak 688
22 ILE H 22 ILE HD1 4.23
23 THR HB 26 ILE HB 6.50 #peak 701
23 THR HG2 26 ILE HB 4.91 #peak 706
23 THR HA 23 THR HG2 3.42
23 THR HG2 23 THR HG1 3.51
23 THR HG2 27 SER HG 5.68 #peak 710
67 ARG HE 75 VAL HG1 4.44 #peak 711
24 GLY HA2 27 SER HG 5.19 #peak 715
24 GLY HA3 27 SER HG 5.19 #peak 720
25 VAL HA 28 LYS HB3 5.22
25 VAL HB 66 LEU HD2 4.53 #peak 734
65 LYS HB2 66 LEU HD2 5.14 #peak 734
25 VAL HG1 62 LEU HD2 5.75 #peak 740
25 VAL HG1 28 LYS HD2 5.23 #peak 743
25 VAL HG1 28 LYS HD3 5.23 #peak 743
25 VAL HG1 65 LYS HB3 4.12 #peak 744
25 VAL HG1 26 ILE HA 4.88 #peak 746
25 VAL HG1 65 LYS HE 4.90 #peak 747
25 VAL HA 25 VAL HG1 3.36
22 ILE HA 25 VAL HG1 4.85 #peak 749
25 VAL HG1 66 LEU HA 4.48 #peak 750
25 VAL HG1 29 PHE HE 3.84 #peak 751
25 VAL HG1 69 VAL H 6.46 #peak 752
25 VAL HG1 26 ILE H 4.04
25 VAL HG1 27 SER H 5.05 #peak 754
21 GLN HB3 25 VAL HG2 5.18 #peak 759
25 VAL HG2 28 LYS HE 5.18 #peak 761
25 VAL HA 25 VAL HG2 3.05 #peak 762
22 ILE HA 25 VAL HG2 3.62 #peak 763
21 GLN HA 25 VAL HG2 4.28 #peak 764
21 GLN HE21 25 VAL HG2 6.50 #peak 765
25 VAL HG2 29 PHE HD 6.50 #peak 765
25 VAL HG2 28 LYS H 5.77 #peak 766
25 VAL HG2 29 PHE HE 6.18 #peak 766
21 GLN HE22 25 VAL HG2 6.33
23 THR H 25 VAL HG2 5.52
25 VAL HG2 26 ILE H 4.13
25 VAL H 25 VAL HG2 3.14 #peak 770
21 GLN H 25 VAL HG2 5.85
26 ILE HA 49 LEU HD2 5.35
26 ILE HA 29 PHE HE 5.37 #peak 777
26 ILE HB 49 LEU HD2 5.19
23 THR HA 26 ILE HB 4.74 #peak 784
26 ILE HB 27 SER HA 5.86 #peak 785
22 ILE HG2 23 THR HA 4.18 #peak 795
26 ILE H 26 ILE HG2 3.81 #peak 797
26 ILE HG2 27 SER H 4.33 #peak 798
26 ILE HA 26 ILE HD1 4.39
26 ILE H 26 ILE HD1 3.86 #peak 800
25 VAL H 26 ILE HD1 5.69 #peak 801
23 THR HG2 27 SER HA 5.73 #peak 803
23 THR HG2 27 SER HB2 6.04 #peak 811
23 THR HG2 27 SER HB3 6.04 #peak 816
25 VAL HA 28 LYS HB2 5.22
66 LEU HD2 68 LYS HB2 6.50 #peak 835
68 LYS HB2 69 VAL HG1 6.50 #peak 835
28 LYS HA 28 LYS HG2 3.93
27 SER HG 28 LYS HG2 5.42 #peak 845
28 LYS HA 28 LYS HG3 3.93
27 SER HG 28 LYS HG3 5.42
25 VAL HA 28 LYS HD2 5.44 #peak 857
25 VAL HA 28 LYS HD3 5.44
68 LYS HA 68 LYS HD2 3.80 #peak 862
25 VAL HA 28 LYS HE 4.43
28 LYS HA 28 LYS HE 5.20 #peak 869
31 THR HB 51 ILE HB 4.39 #peak 893
29 PHE HD 31 THR HB 5.73 #peak 895
31 THR HG2 62 LEU HD2 3.79
31 THR HG2 62 LEU HD1 3.42 #peak 899
31 THR HG2 51 ILE HD1 3.10 #peak 900
31 THR HG2 51 ILE HB 3.68 #peak 901
30 ASP HB 31 THR HG2 5.85 #peak 902
29 PHE HB3 31 THR HG2 4.31 #peak 904
29 PHE HB2 31 THR HG2 4.31
31 THR H 31 THR HG2 3.67
31 THR HG2 32 ASN H 4.00 #peak 910
31 THR HG2 52 PHE H 4.54 #peak 910
31 THR HG2 34 ARG H 6.17 #peak 911
33 ILE HB 49 LEU HD1 5.73 #peak 928
33 ILE HG12 51 ILE HG2 4.65 #peak 936
33 ILE HG2 33 ILE HG12 4.05
33 ILE HG2 34 ARG HA 5.24 #peak 945
32 ASN HA 33 ILE HG2 5.73 #peak 946
33 ILE HG2 51 ILE HA 5.48 #peak 947
33 ILE HG2 49 LEU HA 5.81 #peak 948
33 ILE HG2 35 THR HA 5.58 #peak 949
33 ILE H 33 ILE HG2 4.48
33 ILE HG2 34 ARG H 4.10 #peak 953
27 SER HA 33 ILE HD1 3.47 #peak 956
8 ILE HD1 63 MET HA 4.51 #peak 957
7 GLY HA2 8 ILE HD1 5.16 #peak 959
33 ILE H 33 ILE HD1 4.26 #peak 962
33 ILE HD1 34 ARG H 5.50 #peak 963
5 LEU HD2 35 THR HB 5.81 #peak 976
33 ILE HG2 35 THR HB 6.15 #peak 976
35 THR HB 50 MET HB3 4.27 #peak 979
35 THR HB 50 MET HB2 4.27
35 THR HB 36 ILE HA 4.92 #peak 983
35 THR HB 49 LEU HA 6.08
35 THR HB 50 MET H 4.77 #peak 987
35 THR HA 35 THR HG2 3.50
35 THR H 35 THR HG2 4.33
35 THR HG2 36 ILE H 3.50 #peak 999
56 THR H 56 THR HG2 3.98 #peak 999
36 ILE HG2 37 VAL HB 5.72 #peak 1015
23 THR HB 36 ILE HG2 5.44 #peak 1018
35 THR HB 36 ILE HG2 5.82 #peak 1019
36 ILE HA 36 ILE HG2 3.63
36 ILE HG2 37 VAL HA 4.36 #peak 1021
36 ILE HG2 49 LEU HA 5.33
35 THR HA 36 ILE HG2 4.98 #peak 1023
36 ILE H 36 ILE HG2 3.50 #peak 1025
36 ILE HG2 48 ASN H 5.90 #peak 1026
36 ILE HB 36 ILE HD1 3.29 #peak 1029
23 THR HA 36 ILE HD1 5.11 #peak 1030
35 THR HB 36 ILE HD1 6.50 #peak 1031
23 THR HB 36 ILE HD1 5.81 #peak 1032
23 THR HG1 36 ILE HD1 4.73 #peak 1033
36 ILE HA 36 ILE HD1 4.47
36 ILE HD1 37 VAL HA 5.79 #peak 1035
36 ILE HD1 38 LEU HA 6.50 #peak 1037
36 ILE HD1 48 ASN HA 6.50 #peak 1037
23 THR H 36 ILE HD1 6.03 #peak 1038
36 ILE HD1 37 VAL H 4.64 #peak 1039
36 ILE HD1 38 LEU H 5.68 #peak 1040
35 THR HG2 37 VAL HB 5.32 #peak 1042
37 VAL HB 48 ASN HB2 4.61 #peak 1043
37 VAL HB 38 LEU HA 5.78 #peak 1044
37 VAL HB 47 CYS HA 6.43 #peak 1044
37 VAL HB 48 ASN HA 6.50 #peak 1044
37 VAL HB 48 ASN H 4.98
37 VAL HG1 38 LEU HB 4.72 #peak 1047
37 VAL HG1 48 ASN HB3 5.43
37 VAL HG1 39 ASN HB 4.41 #peak 1050
37 VAL HG1 48 ASN HB2 5.43 #peak 1050
37 VAL HA 37 VAL HG1 3.31 #peak 1051
37 VAL HG1 38 LEU HA 4.62 #peak 1052
37 VAL HG1 48 ASN HD21 5.63
37 VAL H 37 VAL HG1 4.20
37 VAL HG1 39 ASN H 4.61
37 VAL HG1 38 LEU H 3.76 #peak 1057
35 THR HG2 37 VAL HG2 3.08 #peak 1058
37 VAL HG2 48 ASN HB3 4.71
37 VAL HG2 48 ASN HB2 4.71 #peak 1062
35 THR HB 37 VAL HG2 5.39
37 VAL HA 37 VAL HG2 3.37
35 THR HA 37 VAL HG2 5.49
37 VAL HG2 38 LEU HA 6.11 #peak 1068
37 VAL HG2 48 ASN HA 6.50 #peak 1068
37 VAL HG2 48 ASN HD22 5.82 #peak 1069
37 VAL HG2 48 ASN HD21 5.82
37 VAL H 37 VAL HG2 3.78 #peak 1072
37 VAL HG2 48 ASN H 5.06
37 VAL HG2 38 LEU H 4.23 #peak 1074
38 LEU HA 48 ASN H 4.83 #peak 1079
38 LEU HG 47 CYS HB2 4.78 #peak 1087
38 LEU HA 38 LEU HG 4.12 #peak 1088
38 LEU H 38 LEU HG 5.33 #peak 1091
19 THR HG2 38 LEU HD1 3.17 #peak 1092
38 LEU HD1 47 CYS HG 4.09 #peak 1093
38 LEU HB 38 LEU HD1 3.29
38 LEU HD1 47 CYS HB2 4.05
38 LEU HD1 47 CYS HB3 4.43 #peak 1096
23 THR HB 38 LEU HD1 5.51 #peak 1100
23 THR HG1 38 LEU HD1 4.52 #peak 1101
38 LEU HA 38 LEU HD1 4.43 #peak 1102
38 LEU HD1 47 CYS HA 4.79 #peak 1102
19 THR HG1 38 LEU HD1 5.68 #peak 1103
38 LEU HD1 45 PHE HZ 4.96
23 THR H 38 LEU HD1 5.67 #peak 1107
22 ILE H 38 LEU HD1 6.01
38 LEU HD1 39 ASN H 4.82 #peak 1109
38 LEU HD1 47 CYS H 5.62
38 LEU H 38 LEU HD1 5.03
19 THR HG2 38 LEU HD2 3.10 #peak 1112
38 LEU HB 38 LEU HD2 3.15
38 LEU HD2 45 PHE HB2 4.77
38 LEU HD2 39 ASN HB 4.82 #peak 1116
38 LEU HD2 47 CYS HB2 5.13 #peak 1116
38 LEU HD2 45 PHE HB3 4.77
19 THR HA 38 LEU HD2 4.52
19 THR HB 38 LEU HD2 3.81
23 THR HG1 38 LEU HD2 5.23 #peak 1120
37 VAL HA 38 LEU HD2 5.91 #peak 1122
38 LEU HD2 39 ASN HA 3.92 #peak 1124
38 LEU HA 38 LEU HD2 4.11 #peak 1125
19 THR HG1 38 LEU HD2 4.77
38 LEU HD2 45 PHE HD 4.50
38 LEU HD2 45 PHE HZ 6.50 #peak 1128
38 LEU HD2 45 PHE HE 5.22
38 LEU HD2 40 ALA H 4.47 #peak 1131
38 LEU HD2 39 ASN H 4.25 #peak 1133
38 LEU HD2 48 ASN H 6.50 #peak 1134
38 LEU H 38 LEU HD2 4.72 #peak 1135
39 ASN HA 40 ALA HB 5.38 #peak 1137
39 ASN HB 41 LYS HD 5.45 #peak 1144
39 ASN HB 41 LYS HB 5.60 #peak 1145
38 LEU HA 39 ASN HB 5.03 #peak 1147
40 ALA HA 45 PHE HA 4.22
38 LEU HD2 40 ALA HB 4.04 #peak 1160
19 THR HG2 40 ALA HB 3.53 #peak 1161
40 ALA HB 45 PHE HB2 3.97 #peak 1163
40 ALA HB 45 PHE HB3 3.97
40 ALA HB 41 LYS HA 5.34
40 ALA HB 45 PHE HA 3.97
15 LYS H 40 ALA HB 6.49 #peak 1170
14 ASP H 40 ALA HB 5.87 #peak 1171
40 ALA HB 44 ILE H 6.16 #peak 1171
40 ALA HB 41 LYS H 3.65
2 THR HG2 3 ASP H 4.49 #peak 1174
41 LYS HB 41 LYS HE 4.41
40 ALA HA 41 LYS HB 5.34 #peak 1178
41 LYS HG 42 ASP HB2 4.99 #peak 1188
41 LYS HG 42 ASP HB3 4.99 #peak 1192
14 ASP HB2 43 GLY HA2 5.69 #peak 1196
14 ASP HB2 43 GLY HA3 5.69 #peak 1200
14 ASP HB3 43 GLY HA3 5.69
13 GLU HA 44 ILE HB 5.21 #peak 1214
12 GLY H 44 ILE HB 5.74 #peak 1216
43 GLY H 44 ILE HB 6.03 #peak 1219
13 GLU HA 44 ILE HG12 5.03 #peak 1224
44 ILE HG12 73 PHE HZ 5.85 #peak 1226
44 ILE H 44 ILE HG12 3.87
44 ILE HG12 45 PHE H 4.71 #peak 1228
42 ASP HB2 44 ILE HG13 5.91 #peak 1233
42 ASP HB3 44 ILE HG13 5.91 #peak 1234
13 GLU HA 44 ILE HG13 5.75 #peak 1235
42 ASP HA 44 ILE HG13 6.39 #peak 1235
40 ALA HA 44 ILE HG13 6.50 #peak 1237
44 ILE HG13 73 PHE HZ 5.42 #peak 1238
44 ILE HG13 45 PHE H 5.08 #peak 1240
44 ILE HG2 44 ILE HG13 3.25
44 ILE HG2 44 ILE HG12 3.45
44 ILE HG2 46 THR HB 6.09 #peak 1246
13 GLU HA 44 ILE HG2 3.89
44 ILE HA 44 ILE HG2 3.33
40 ALA HA 44 ILE HG2 5.64 #peak 1250
44 ILE HG2 45 PHE HA 4.86
44 ILE HG2 45 PHE HD 5.52
44 ILE HG2 73 PHE HD 4.55
14 ASP H 44 ILE HG2 4.18 #peak 1256
44 ILE HG2 46 THR H 5.49 #peak 1257
44 ILE HG2 45 PHE H 3.46 #peak 1258
44 ILE HB 44 ILE HD1 3.28
42 ASP HB2 44 ILE HD1 5.82 #peak 1264
42 ASP HB3 44 ILE HD1 5.82 #peak 1265
44 ILE HD1 46 THR HB 6.50 #peak 1267
13 GLU HA 44 ILE HD1 4.63
44 ILE HA 44 ILE HD1 3.96 #peak 1269
44 ILE HD1 73 PHE HD 5.04
44 ILE HD1 73 PHE HZ 4.08 #peak 1271
12 GLY H 44 ILE HD1 5.95
44 ILE H 44 ILE HD1 4.12
44 ILE HD1 45 PHE H 4.62 #peak 1275
43 GLY H 44 ILE HD1 6.03
40 ALA HA 45 PHE HB2 5.25
40 ALA HA 45 PHE HB3 5.25 #peak 1299
11 VAL HA 46 THR HB 4.19 #peak 1306
46 THR HB 47 CYS H 4.48
41 LYS HD 46 THR HG2 4.05 #peak 1313
44 ILE HB 46 THR HG2 5.47 #peak 1314
39 ASN HB 46 THR HG2 4.96
41 LYS HE 46 THR HG2 5.50
9 ARG HD 46 THR HG2 5.18 #peak 1317
46 THR HA 46 THR HG2 3.29
40 ALA HA 46 THR HG2 5.87 #peak 1320
45 PHE HA 46 THR HG2 4.90 #peak 1322
45 PHE HD 46 THR HG2 5.38 #peak 1323
39 ASN HD22 46 THR HG2 4.99 #peak 1324
9 ARG HE 46 THR HG2 5.36 #peak 1327
39 ASN HD21 46 THR HG2 4.99 #peak 1328
46 THR H 46 THR HG2 4.02
39 ASN H 46 THR HG2 4.65 #peak 1330
10 ILE H 46 THR HG2 5.97 #peak 1331
46 THR HG2 47 CYS H 4.29
37 VAL HG1 47 CYS HA 6.20
38 LEU HB 47 CYS HA 5.49 #peak 1336
38 LEU HG 47 CYS HA 6.23 #peak 1336
37 VAL H 47 CYS HA 5.77 #peak 1339
39 ASN H 47 CYS HA 5.98 #peak 1339
22 ILE HD1 47 CYS HB2 6.23 #peak 1343
36 ILE HD1 47 CYS HB2 6.50 #peak 1343
19 THR HG2 47 CYS HB2 5.67 #peak 1344
38 LEU HB 47 CYS HB2 5.71
10 ILE HB 47 CYS HB2 4.70 #peak 1347
22 ILE HG2 47 CYS HB3 5.22 #peak 1354
22 ILE HD1 47 CYS HB3 6.19 #peak 1355
36 ILE HD1 47 CYS HB3 6.50 #peak 1355
23 THR HG1 47 CYS HB3 5.64 #peak 1359
45 PHE HD 47 CYS HB3 5.72 #peak 1361
45 PHE HE 47 CYS HB3 5.66
10 ILE HD1 48 ASN HA 5.49 #peak 1365
9 ARG HG3 48 ASN HA 6.08 #peak 1366
9 ARG HB 48 ASN HA 5.37 #peak 1367
9 ARG HG2 48 ASN HA 6.08 #peak 1367
37 VAL HB 48 ASN HB3 4.61
36 ILE HD1 49 LEU HA 4.99 #peak 1392
36 ILE HB 49 LEU HA 5.39 #peak 1395
36 ILE HA 49 LEU HA 4.36 #peak 1397
49 LEU HA 50 MET HA 4.66 #peak 1398
8 ILE HD1 49 LEU HB3 4.88 #peak 1401
26 ILE HD1 49 LEU HB3 5.49 #peak 1401
10 ILE HG13 49 LEU HB3 5.46 #peak 1403
8 ILE HB 49 LEU HB3 4.19 #peak 1405
9 ARG HA 49 LEU HB3 6.18 #peak 1407
48 ASN HA 49 LEU HB3 6.41 #peak 1407
49 LEU HB3 50 MET H 5.12
48 ASN HA 49 LEU HB2 5.80 #peak 1416
49 LEU HB2 50 MET HA 5.89
8 ILE H 49 LEU HG 5.64
49 LEU HD1 62 LEU HD2 5.97 #peak 1424
26 ILE HG2 49 LEU HD1 3.54 #peak 1425
26 ILE HD1 49 LEU HD1 3.98 #peak 1425
33 ILE HG12 49 LEU HD1 4.00 #peak 1427
26 ILE HA 49 LEU HD1 5.79 #peak 1428
49 LEU HD1 50 MET HG2 6.36 #peak 1429
33 ILE HA 49 LEU HD1 4.56 #peak 1430
35 THR HB 49 LEU HD1 6.08 #peak 1431
36 ILE HA 49 LEU HD1 4.48 #peak 1433
49 LEU HA 49 LEU HD1 3.55 #peak 1434
48 ASN HA 49 LEU HD1 6.18 #peak 1435
49 LEU HD1 50 MET HA 5.54 #peak 1436
29 PHE HE 49 LEU HD1 5.31 #peak 1437
35 THR H 49 LEU HD1 4.82 #peak 1438
33 ILE H 49 LEU HD1 5.65 #peak 1439
49 LEU HD1 50 MET H 3.72
49 LEU H 49 LEU HD1 4.81
8 ILE H 49 LEU HD1 5.51 #peak 1442
49 LEU HD2 62 LEU HB3 4.02 #peak 1445
62 LEU HB3 66 LEU HD1 4.22 #peak 1445
49 LEU HB2 49 LEU HD2 3.54
49 LEU HB3 49 LEU HD2 3.64
49 LEU HA 49 LEU HD2 4.50 #peak 1451
7 GLY HA2 49 LEU HD2 6.03 #peak 1452
49 LEU HD2 50 MET HA 6.34 #peak 1452
49 LEU HD2 50 MET H 4.84 #peak 1455
8 ILE H 49 LEU HD2 5.35 #peak 1456
49 LEU H 49 LEU HD2 4.92
6 ALA HB 50 MET HA 6.36 #peak 1460
49 LEU HG 50 MET HA 5.34
8 ILE H 50 MET HA 4.89 #peak 1465
50 MET HG3 78 LEU HD1 5.16 #peak 1477
5 LEU HD2 50 MET HG3 4.67
35 THR HG2 50 MET HG3 4.40
50 MET HG3 81 LEU HB3 6.50 #peak 1480
35 THR HB 50 MET HG3 4.28
50 MET HA 50 MET HG3 4.24
35 THR H 50 MET HG3 5.75
50 MET H 50 MET HG3 5.01
50 MET HG3 51 ILE H 5.57
8 ILE H 50 MET HG3 6.08 #peak 1489
35 THR HG2 50 MET HG2 4.58
49 LEU HG 50 MET HG2 6.50 #peak 1492
35 THR HB 50 MET HG2 4.13 #peak 1496
7 GLY HA3 50 MET HG2 5.81 #peak 1497
49 LEU HA 50 MET HG2 5.78 #peak 1498
50 MET HA 50 MET HG2 4.17 #peak 1499
50 MET H 50 MET HG2 4.69 #peak 1500
8 ILE H 50 MET HG2 5.23 #peak 1501
50 MET HE 81 LEU HD1 3.20 #peak 1503
50 MET HE 81 LEU HD2 3.46 #peak 1503
5 LEU HD2 50 MET HE 3.17 #peak 1504
50 MET HE 51 ILE HG13 5.00 #peak 1505
5 LEU HG 50 MET HE 3.12 #peak 1506
50 MET HG2 50 MET HE 3.78
50 MET HG3 50 MET HE 3.56 #peak 1508
50 MET HE 83 HIS HB2 5.22 #peak 1510
7 GLY HA3 50 MET HE 4.23 #peak 1511
35 THR HB 50 MET HE 5.09
50 MET HE 81 LEU HA 4.85
5 LEU HA 50 MET HE 4.76
6 ALA HA 50 MET HE 4.21 #peak 1516
49 LEU HA 50 MET HE 6.05 #peak 1517
50 MET HE 52 PHE HA 6.22 #peak 1518
7 GLY HA2 50 MET HE 4.12 #peak 1519
50 MET HA 50 MET HE 4.33 #peak 1519
4 PHE HD 50 MET HE 6.35 #peak 1522
35 THR H 50 MET HE 5.99 #peak 1523
50 MET HE 78 LEU H 6.07 #peak 1525
50 MET HE 82 GLU H 6.50 #peak 1525
7 GLY H 50 MET HE 4.56
50 MET HE 51 ILE H 4.53 #peak 1527
50 MET H 50 MET HE 4.94 #peak 1528
6 ALA H 50 MET HE 4.78 #peak 1529
8 ILE H 50 MET HE 5.14 #peak 1529
33 ILE HA 51 ILE HB 5.86 #peak 1535
31 THR HA 51 ILE HB 5.93 #peak 1537
51 ILE HB 52 PHE H 4.39 #peak 1539
34 ARG H 51 ILE HB 6.07 #peak 1540
31 THR HB 51 ILE HG12 5.98
50 MET HA 51 ILE HG12 5.34 #peak 1548
15 LYS HG 16 ASN H 4.65 #peak 1549
51 ILE HG13 62 LEU HD1 5.14
50 MET HA 51 ILE HG13 5.32 #peak 1555
51 ILE HG13 52 PHE H 5.78
6 ALA H 51 ILE HG13 5.69 #peak 1558
8 ILE HG2 62 LEU HD1 4.98 #peak 1560
51 ILE HG2 62 LEU HD1 5.23 #peak 1560
51 ILE HG2 51 ILE HG12 3.46 #peak 1561
33 ILE HA 51 ILE HG2 3.48 #peak 1564
31 THR HB 51 ILE HG2 4.50
31 THR HA 51 ILE HG2 5.65
34 ARG HA 51 ILE HG2 5.96
51 ILE HA 51 ILE HG2 3.49
51 ILE HG2 52 PHE HA 5.77 #peak 1568
50 MET HA 51 ILE HG2 4.56 #peak 1569
29 PHE HD 51 ILE HG2 5.55 #peak 1570
8 ILE HG2 29 PHE HE 6.08 #peak 1571
29 PHE HE 51 ILE HG2 6.50 #peak 1571
51 ILE HG2 52 PHE HD 6.50 #peak 1571
35 THR H 51 ILE HG2 4.86 #peak 1572
33 ILE H 51 ILE HG2 4.59 #peak 1573
51 ILE HG2 52 PHE H 4.30 #peak 1573
34 ARG H 51 ILE HG2 4.15 #peak 1574
51 ILE H 51 ILE HG2 4.02 #peak 1575
8 ILE HG2 76 GLU H 4.33 #peak 1575
51 ILE HD1 62 LEU HD2 4.23
51 ILE HG2 51 ILE HD1 3.35
51 ILE HD1 59 LEU HD1 3.78
51 ILE HB 51 ILE HD1 3.35 #peak 1582
7 GLY HA3 51 ILE HD1 6.50 #peak 1585
51 ILE HD1 62 LEU HA 6.50 #peak 1585
51 ILE HD1 59 LEU HA 4.67 #peak 1586
31 THR HB 51 ILE HD1 4.15
5 LEU HA 51 ILE HD1 5.57 #peak 1589
31 THR HA 51 ILE HD1 5.92 #peak 1589
7 GLY HA2 51 ILE HD1 5.81 #peak 1591
50 MET HA 51 ILE HD1 6.10 #peak 1591
29 PHE HD 51 ILE HD1 4.70 #peak 1592
51 ILE HD1 58 LYS HZ 4.78 #peak 1593
31 THR H 51 ILE HD1 5.49 #peak 1594
51 ILE HD1 52 PHE H 4.43 #peak 1595
51 ILE HD1 53 VAL H 5.26 #peak 1596
51 ILE H 51 ILE HD1 4.12
6 ALA H 51 ILE HD1 5.01 #peak 1598
5 LEU HA 52 PHE HA 4.43
51 ILE HA 52 PHE HA 5.10 #peak 1603
53 VAL HB 59 LEU HD1 5.75 #peak 1619
53 VAL HB 59 LEU HD2 6.10
31 THR HG2 53 VAL HB 6.48
4 PHE HZ 53 VAL HB 5.46 #peak 1623
53 VAL HG1 62 LEU HD2 4.99 #peak 1626
53 VAL HG1 59 LEU HD1 3.44 #peak 1627
51 ILE HG13 53 VAL HG1 4.41 #peak 1628
53 VAL HG1 59 LEU HD2 4.84 #peak 1628
31 THR HG2 53 VAL HG1 4.04 #peak 1629
6 ALA HB 53 VAL HG1 3.33 #peak 1630
53 VAL HG1 58 LYS HG2 4.25 #peak 1631
53 VAL HG1 59 LEU HB3 4.51 #peak 1631
53 VAL HG1 59 LEU HB2 4.51
4 PHE HB 53 VAL HG1 5.97 #peak 1635
53 VAL HG1 59 LEU HA 4.11
31 THR HB 53 VAL HG1 4.44 #peak 1637
53 VAL HG1 54 LYS HA 5.85
53 VAL HA 53 VAL HG1 3.61
51 ILE HA 53 VAL HG1 5.70 #peak 1640
52 PHE HA 53 VAL HG1 4.58 #peak 1641
53 VAL HG1 58 LYS HZ 5.15 #peak 1642
53 VAL HG1 55 ASN H 4.56
52 PHE H 53 VAL HG1 4.48 #peak 1644
53 VAL HG1 54 LYS H 4.74 #peak 1644
53 VAL HG1 60 THR H 6.07 #peak 1645
4 PHE H 53 VAL HG1 4.97
53 VAL H 53 VAL HG1 3.85
51 ILE H 53 VAL HG1 5.67 #peak 1648
6 ALA H 53 VAL HG1 5.14
53 VAL HG2 59 LEU HD1 4.26 #peak 1650
53 VAL HG2 59 LEU HD2 3.99
6 ALA HB 53 VAL HG2 3.45
53 VAL HG2 59 LEU HB3 4.56 #peak 1654
53 VAL HG2 59 LEU HB2 4.56 #peak 1656
4 PHE HB 53 VAL HG2 4.80 #peak 1657
53 VAL HG2 59 LEU HA 4.39
53 VAL HG2 56 THR HA 4.46
53 VAL HG2 58 LYS HA 6.07 #peak 1660
53 VAL HG2 54 LYS HA 4.95
5 LEU HA 53 VAL HG2 5.06 #peak 1662
4 PHE HA 53 VAL HG2 5.47 #peak 1664
52 PHE HA 53 VAL HG2 4.54 #peak 1665
53 VAL HG2 55 ASN H 3.88 #peak 1668
53 VAL HG2 54 LYS H 4.05
5 LEU H 53 VAL HG2 5.97 #peak 1670
53 VAL HG2 60 THR H 6.50 #peak 1670
6 ALA H 53 VAL HG2 5.02
53 VAL H 53 VAL HG2 3.66
3 ASP HA 54 LYS HA 3.84 #peak 1677
3 ASP H 54 LYS HA 5.39 #peak 1679
54 LYS HB2 54 LYS HE 5.00
3 ASP HA 54 LYS HB2 5.52 #peak 1686
54 LYS HB2 55 ASN H 4.69
54 LYS H 54 LYS HB2 3.89
54 LYS HB3 54 LYS HE 5.00 #peak 1691
3 ASP HA 54 LYS HB3 5.52 #peak 1694
54 LYS HB3 55 ASN H 4.69
54 LYS H 54 LYS HB3 3.89
54 LYS HG2 54 LYS HE 4.04
54 LYS HG3 54 LYS HE 4.04
53 VAL HA 58 LYS HG2 5.67 #peak 1704
54 LYS H 54 LYS HG3 4.61 #peak 1707
54 LYS H 58 LYS HG2 5.21 #peak 1707
54 LYS HA 54 LYS HD 4.46
15 LYS HD 16 ASN HD22 5.47 #peak 1710
15 LYS H 15 LYS HD 4.94 #peak 1711
15 LYS HD 16 ASN HD21 5.47 #peak 1712
54 LYS H 54 LYS HD 4.79
54 LYS HA 54 LYS HE 4.83 #peak 1714
54 LYS HE 55 ASN HD21 4.81
54 LYS H 54 LYS HE 4.86 #peak 1717
53 VAL HG1 56 THR HA 5.74 #peak 1725
56 THR HA 59 LEU HD1 6.13
56 THR HA 59 LEU HB3 4.43 #peak 1728
56 THR HA 59 LEU HG 5.36 #peak 1729
56 THR HA 59 LEU HB2 4.43
55 ASN HA 56 THR HA 5.24 #peak 1731
56 THR HA 59 LEU H 4.42
59 LEU H 61 THR HB 6.19 #peak 1740
56 THR HB 57 ASP H 4.20 #peak 1741
53 VAL HG2 56 THR HG2 4.48 #peak 1743
56 THR HA 56 THR HG2 3.35
4 PHE HD 56 THR HG2 4.61 #peak 1748
56 THR HG2 59 LEU H 5.33 #peak 1749
56 THR HG2 57 ASP H 4.54
56 THR HG2 57 ASP HB 5.88 #peak 1751
57 ASP HB 60 THR HG2 6.15 #peak 1751
57 ASP HB 58 LYS HG3 6.50 #peak 1752
58 LYS HA 61 THR HG2 4.60 #peak 1759
57 ASP HB 58 LYS HA 5.21 #peak 1763
53 VAL HG2 58 LYS HB2 5.67 #peak 1767
55 ASN H 58 LYS HB2 5.18 #peak 1770
53 VAL HG2 58 LYS HB3 5.67
53 VAL HG2 58 LYS HG3 5.34
53 VAL HG1 58 LYS HG3 5.39 #peak 1780
31 THR HG2 58 LYS HG3 5.34 #peak 1781
58 LYS HG3 61 THR HB 5.70 #peak 1786
4 PHE HZ 58 LYS HG3 6.50 #peak 1787
58 LYS HG3 58 LYS HZ 6.05 #peak 1788
55 ASN H 58 LYS HG3 5.36 #peak 1789
54 LYS H 58 LYS HG3 5.57 #peak 1791
58 LYS HG2 62 LEU HD1 5.25
53 VAL HG2 58 LYS HG2 5.65 #peak 1793
58 LYS H 58 LYS HG2 4.61
58 LYS HD 62 LEU HD1 5.12
53 VAL HG2 58 LYS HD 5.99
31 THR HG2 58 LYS HD 5.75
58 LYS HD 62 LEU HB2 6.42
30 ASP HB 58 LYS HD 5.66 #peak 1803
58 LYS HA 58 LYS HD 3.54 #peak 1805
58 LYS HD 61 THR HB 4.83
58 LYS HD 59 LEU H 5.33 #peak 1808
58 LYS HD 62 LEU H 5.33 #peak 1809
58 LYS H 58 LYS HD 4.48 #peak 1810
58 LYS HE3 62 LEU HD1 4.93
59 LEU HA 62 LEU HG 4.55 #peak 1825
58 LYS HG3 59 LEU HA 5.14 #peak 1827
59 LEU HA 63 MET H 6.41 #peak 1830
53 VAL HG2 59 LEU HG 5.63
59 LEU HG 63 MET HG3 5.86 #peak 1858
59 LEU HG 60 THR HA 5.20 #peak 1859
59 LEU H 59 LEU HG 4.97
59 LEU HG 63 MET H 5.91 #peak 1862
59 LEU HD1 62 LEU HD2 5.56
62 LEU HD2 66 LEU HD2 5.95
59 LEU HD1 62 LEU HD1 3.76 #peak 1865
6 ALA HB 59 LEU HD1 2.95 #peak 1866
59 LEU HB3 59 LEU HD1 4.04 #peak 1867
59 LEU HB2 59 LEU HD1 4.04
59 LEU HD1 63 MET HG3 4.25 #peak 1870
59 LEU HA 59 LEU HD1 3.22 #peak 1871
59 LEU H 59 LEU HD1 4.44
6 ALA HB 59 LEU HD2 3.09
59 LEU HB3 59 LEU HD2 3.66
59 LEU HD2 77 ARG HG2 4.60
59 LEU HD2 63 MET HE 4.28 #peak 1880
59 LEU HB2 59 LEU HD2 3.66
59 LEU HD2 63 MET HG3 6.09
59 LEU HA 59 LEU HD2 4.25
56 THR HA 59 LEU HD2 4.31
56 THR HB 59 LEU HD2 5.16
59 LEU H 59 LEU HD2 4.65
59 LEU HD2 77 ARG HE 6.23 #peak 1892
59 LEU HD2 78 LEU H 5.58 #peak 1893
6 ALA H 59 LEU HD2 5.47 #peak 1896
60 THR HA 63 MET HG3 4.94
60 THR HA 63 MET H 4.26
60 THR HA 62 LEU H 5.33
60 THR HG2 63 MET HG3 4.96 #peak 1908
60 THR HA 60 THR HG2 3.15 #peak 1909
58 LYS H 60 THR HG2 5.98 #peak 1912
60 THR HG2 63 MET H 6.29 #peak 1912
60 THR H 60 THR HG2 3.70
61 THR HA 64 ASP HB2 3.93 #peak 1916
61 THR HA 63 MET H 4.97 #peak 1920
58 LYS HZ 61 THR HB 4.71 #peak 1923
58 LYS H 61 THR HB 5.98 #peak 1926
61 THR HB 63 MET H 6.29 #peak 1926
56 THR HB 60 THR H 5.69 #peak 1927
60 THR H 61 THR HB 6.07 #peak 1927
61 THR HG2 62 LEU HD2 4.29 #peak 1928
61 THR HG2 62 LEU HD1 5.44
61 THR HG2 64 ASP HB3 4.64
61 THR HG2 65 LYS HE 4.52 #peak 1932
61 THR HG2 62 LEU HA 4.36 #peak 1933
61 THR HA 61 THR HG2 3.19
58 LYS HZ 61 THR HG2 4.47 #peak 1936
61 THR HG2 62 LEU H 3.79
61 THR H 61 THR HG2 3.81
61 THR HG2 63 MET H 5.64 #peak 1939
8 ILE HG2 62 LEU HA 6.50 #peak 1942
49 LEU HD2 62 LEU HA 6.50 #peak 1942
59 LEU HD1 62 LEU HA 6.50 #peak 1942
62 LEU HA 65 LYS HG3 4.63
61 THR HB 62 LEU HA 5.33
29 PHE HZ 62 LEU HA 6.11 #peak 1950
59 LEU HA 62 LEU HB3 5.56
8 ILE HD1 62 LEU HB2 5.49 #peak 1963
59 LEU HA 62 LEU HB2 5.60 #peak 1966
29 PHE HE 62 LEU HB2 6.05 #peak 1967
29 PHE HD 62 LEU HB2 6.18 #peak 1968
62 LEU HG 63 MET H 5.46
51 ILE HD1 62 LEU HD1 3.24
49 LEU HD2 62 LEU HD1 3.59 #peak 1979
62 LEU HB2 62 LEU HD1 3.92 #peak 1980
62 LEU HB3 62 LEU HD1 3.62 #peak 1981
58 LYS HG3 62 LEU HD1 4.26 #peak 1982
62 LEU HD1 66 LEU HG 5.42 #peak 1983
26 ILE HA 62 LEU HD1 5.82 #peak 1984
58 LYS HE2 62 LEU HD1 4.93 #peak 1985
29 PHE HB3 62 LEU HD1 5.04 #peak 1986
29 PHE HB2 62 LEU HD1 5.04
62 LEU HA 62 LEU HD1 3.96 #peak 1988
62 LEU HD1 63 MET HA 5.90
59 LEU HA 62 LEU HD1 4.20
31 THR HB 62 LEU HD1 4.84
61 THR HB 62 LEU HD1 5.91
29 PHE HA 62 LEU HD1 5.92 #peak 1993
29 PHE HE 62 LEU HD1 4.60 #peak 1995
58 LYS HZ 62 LEU HD1 5.18 #peak 1995
62 LEU H 62 LEU HD1 4.06
62 LEU HD1 63 MET H 4.85
30 ASP H 62 LEU HD1 5.75 #peak 1999
62 LEU HB2 62 LEU HD2 4.11 #peak 2003
62 LEU HB3 62 LEU HD2 3.71 #peak 2004
62 LEU HD2 65 LYS HD3 4.87 #peak 2005
58 LYS HD 62 LEU HD2 5.09 #peak 2006
62 LEU HD2 65 LYS HD2 4.87 #peak 2006
62 LEU HD2 65 LYS HB2 5.19 #peak 2007
29 PHE HB3 62 LEU HD2 5.46 #peak 2009
29 PHE HB2 62 LEU HD2 5.46 #peak 2010
62 LEU HA 62 LEU HD2 3.56 #peak 2011
59 LEU HA 62 LEU HD2 5.00 #peak 2012
31 THR HB 62 LEU HD2 5.61 #peak 2013
61 THR HA 62 LEU HD2 6.04 #peak 2013
61 THR HB 62 LEU HD2 5.88
58 LYS HZ 62 LEU HD2 4.53 #peak 2017
62 LEU H 62 LEU HD2 4.13
61 THR H 62 LEU HD2 5.96
62 LEU HD2 63 MET H 4.88
8 ILE HD1 63 MET HE 4.24 #peak 2046
60 THR HG2 63 MET HE 3.60 #peak 2048
63 MET HG3 63 MET HE 3.58
63 MET HE 77 ARG HD 3.77 #peak 2051
60 THR HA 63 MET HE 3.36 #peak 2052
56 THR HA 63 MET HE 6.50 #peak 2053
61 THR HA 63 MET HE 6.50 #peak 2053
60 THR HB 63 MET HE 4.68
63 MET HE 77 ARG HA 3.61 #peak 2055
63 MET HE 76 GLU HA 3.86 #peak 2056
62 LEU H 63 MET HE 6.10 #peak 2058
63 MET HE 77 ARG HE 6.36 #peak 2058
63 MET H 63 MET HE 4.39 #peak 2059
63 MET HE 77 ARG H 3.33 #peak 2060
9 ARG H 63 MET HE 5.71 #peak 2061
61 THR HG2 64 ASP HB2 5.00 #peak 2064
64 ASP HB2 65 LYS HG3 5.57
64 ASP HB2 67 ARG HB 5.13 #peak 2066
64 ASP HB2 65 LYS HB2 6.22
64 ASP HB2 67 ARG H 5.82
64 ASP HB3 65 LYS HG3 4.92
64 ASP HB3 67 ARG HB 5.03 #peak 2076
64 ASP HB3 65 LYS HB2 5.37 #peak 2077
61 THR HA 64 ASP HB3 4.00 #peak 2079
64 ASP HB3 65 LYS H 3.88
64 ASP HB3 67 ARG H 5.62
64 ASP H 64 ASP HB3 3.55
65 LYS HA 65 LYS HG3 3.87
62 LEU HD1 65 LYS HB2 5.57
61 THR HG2 65 LYS HB2 5.43 #peak 2094
62 LEU HB3 65 LYS HB2 5.80 #peak 2094
62 LEU HA 65 LYS HB2 4.39
29 PHE HZ 65 LYS HB2 4.92 #peak 2097
63 MET H 65 LYS HB2 5.82 #peak 2099
64 ASP H 65 LYS HB2 6.15 #peak 2099
62 LEU HD1 65 LYS HB3 6.50
65 LYS HB3 66 LEU HD2 5.26 #peak 2102
25 VAL HG2 65 LYS HB3 6.50 #peak 2103
65 LYS HB3 69 VAL HG2 6.50 #peak 2103
62 LEU HA 65 LYS HB3 4.59 #peak 2106
29 PHE HE 65 LYS HB3 5.16 #peak 2108
29 PHE HZ 65 LYS HB3 5.62 #peak 2108
29 PHE HD 65 LYS HB3 6.11 #peak 2109
65 LYS HB3 68 LYS H 6.50 #peak 2109
62 LEU HD1 65 LYS HG3 6.50 #peak 2112
65 LYS HG3 65 LYS HE 4.05 #peak 2114
29 PHE HE 65 LYS HG3 5.98 #peak 2117
68 LYS HG2 69 VAL H 5.75 #peak 2118
63 MET H 65 LYS HG3 6.34 #peak 2121
62 LEU HD2 65 LYS HG2 5.48
62 LEU HA 65 LYS HG2 5.42 #peak 2123
64 ASP HB3 65 LYS HG2 6.23
65 LYS HA 65 LYS HG2 3.77
29 PHE HE 65 LYS HG2 5.51 #peak 2126
29 PHE HZ 65 LYS HG2 6.26 #peak 2126
65 LYS H 65 LYS HG2 4.02
62 LEU HA 65 LYS HD2 4.97
65 LYS HA 65 LYS HD2 5.03
29 PHE HE 65 LYS HD2 5.06
62 LEU HA 65 LYS HD3 4.97
65 LYS HA 65 LYS HD3 5.03
65 LYS HA 65 LYS HE 4.72 #peak 2140
65 LYS HA 68 LYS HE 5.13 #peak 2140
41 LYS HE 44 ILE H 5.72 #peak 2141
66 LEU H 66 LEU HG 4.44 #peak 2164
63 MET HA 66 LEU HD1 4.11 #peak 2167
63 MET HG3 66 LEU HD1 5.47 #peak 2168
66 LEU HA 66 LEU HD1 4.69 #peak 2169
66 LEU HD1 67 ARG H 5.19 #peak 2173
66 LEU HA 66 LEU HD2 3.24 #peak 2174
66 LEU H 66 LEU HD2 4.00
67 ARG HA 72 VAL HB 4.86 #peak 2182
67 ARG HA 69 VAL H 5.19 #peak 2185
67 ARG HB 75 VAL HG1 4.78 #peak 2187
67 ARG HB 75 VAL HG2 5.00 #peak 2187
67 ARG HB 68 LYS HE 6.17 #peak 2188
64 ASP HA 67 ARG HG2 5.31
64 ASP HA 67 ARG HG3 5.31
67 ARG H 67 ARG HG3 4.71 #peak 2205
67 ARG HD 75 VAL HG1 4.96 #peak 2206
67 ARG HD 75 VAL HG2 5.35 #peak 2206
67 ARG HB 67 ARG HD 3.61 #peak 2208
67 ARG HA 67 ARG HD 4.92
67 ARG HD 68 LYS H 5.78 #peak 2213
64 ASP H 67 ARG HD 6.31 #peak 2216
68 LYS HA 69 VAL HG2 5.26 #peak 2217
68 LYS HA 68 LYS HG3 3.83
68 LYS HA 68 LYS HD3 3.80 #peak 2219
68 LYS HA 69 VAL HB 6.11 #peak 2222
68 LYS HA 69 VAL HA 5.08 #peak 2223
65 LYS HB2 65 LYS HE 5.54 #peak 2229
68 LYS HB2 68 LYS HE 5.69 #peak 2234
68 LYS HB2 69 VAL HA 5.85 #peak 2235
65 LYS HA 68 LYS HB2 4.70 #peak 2236
66 LEU H 68 LYS HB2 6.43 #peak 2240
68 LYS HA 68 LYS HG2 3.83
68 LYS H 68 LYS HG2 4.18
65 LYS HG2 65 LYS HE 3.94 #peak 2246
64 ASP H 65 LYS HG2 6.27 #peak 2251
68 LYS HA 68 LYS HE 4.44 #peak 2255
29 PHE HD 65 LYS HE 4.59 #peak 2256
68 LYS H 68 LYS HE 5.15 #peak 2256
15 LYS H 15 LYS HE 5.41 #peak 2257
15 LYS HE 16 ASN HD21 5.14 #peak 2259
15 LYS HE 18 MET H 6.50 #peak 2260
67 ARG H 68 LYS HE 6.50 #peak 2260
68 LYS HB3 69 VAL HA 4.91 #peak 2263
69 VAL HB 70 GLN HA 6.50 #peak 2271
69 VAL HB 72 VAL H 5.33
15 LYS HD 69 VAL HG1 6.50 #peak 2276
22 ILE HB 69 VAL HG1 6.50 #peak 2276
69 VAL HA 69 VAL HG1 3.24
69 VAL HG1 70 GLN HA 4.57 #peak 2281
69 VAL H 69 VAL HG1 3.84
69 VAL HA 69 VAL HG2 3.28
66 LEU HA 69 VAL HG2 3.59 #peak 2290
45 PHE HE 69 VAL HG2 6.50
69 VAL HG2 70 GLN H 4.41
22 ILE H 69 VAL HG2 6.50 #peak 2296
69 VAL HG2 71 GLY H 6.50 #peak 2296
20 ASN HA 22 ILE HB 5.32 #peak 2297
66 LEU HA 69 VAL HB 4.92 #peak 2299
70 GLN HA 70 GLN HG 3.83
19 THR HB 20 ASN HA 5.02 #peak 2301
69 VAL HA 70 GLN HA 5.66 #peak 2301
70 GLN HA 71 GLY HA2 4.92
66 LEU HA 68 LYS H 5.09 #peak 2303
69 VAL HG1 70 GLN HB 4.54
69 VAL HG2 70 GLN HB 6.18
69 VAL HA 70 GLN HB 4.68
70 GLN HB 71 GLY HA2 5.58
70 GLN HB 72 VAL H 5.44 #peak 2315
21 GLN HG3 69 VAL HG1 4.51 #peak 2318
69 VAL HG1 70 GLN HG 4.72 #peak 2318
21 GLN HG3 22 ILE HB 4.83 #peak 2319
69 VAL HA 70 GLN HG 4.14 #peak 2321
70 GLN HG 71 GLY HA3 4.75 #peak 2322
21 GLN HA 21 GLN HG3 3.88 #peak 2323
70 GLN HG 71 GLY HA2 4.71
70 GLN HG 72 VAL H 4.88 #peak 2327
70 GLN H 70 GLN HG 3.45 #peak 2328
21 GLN HG3 22 ILE H 4.08 #peak 2329
12 GLY HA3 72 VAL HA 4.52 #peak 2333
69 VAL HG2 72 VAL HB 5.77 #peak 2338
10 ILE HG2 72 VAL HG1 3.13 #peak 2340
72 VAL HA 72 VAL HG1 3.77
67 ARG HA 72 VAL HG1 3.76 #peak 2343
66 LEU HA 72 VAL HG1 6.50 #peak 2344
72 VAL HG1 75 VAL HA 5.67 #peak 2345
10 ILE HA 72 VAL HG1 4.76 #peak 2346
45 PHE HZ 72 VAL HG1 5.95 #peak 2347
45 PHE HE 72 VAL HG1 6.37
69 VAL H 72 VAL HG1 5.69 #peak 2350
11 VAL H 72 VAL HG1 4.49
72 VAL HG1 73 PHE H 3.97 #peak 2355
69 VAL HB 72 VAL HG2 3.44 #peak 2358
12 GLY HA3 72 VAL HG2 5.37
12 GLY HA2 72 VAL HG2 4.84
66 LEU HA 72 VAL HG2 5.07 #peak 2361
15 LYS H 19 THR HG2 4.83 #peak 2365
69 VAL H 72 VAL HG2 5.04 #peak 2365
72 VAL H 72 VAL HG2 3.57 #peak 2366
13 GLU H 72 VAL HG2 5.67
11 VAL H 72 VAL HG2 5.63 #peak 2368
72 VAL HG1 73 PHE HB2 5.69 #peak 2370
11 VAL HG1 73 PHE HB3 6.33 #peak 2379
72 VAL HG1 73 PHE HB3 5.81 #peak 2381
12 GLY HA2 73 PHE HB3 5.84 #peak 2383
72 VAL HA 73 PHE HB3 5.61
73 PHE HB3 74 THR H 4.65
72 VAL HG1 74 THR HB 4.91 #peak 2390
11 VAL HB 74 THR HB 4.07 #peak 2393
74 THR HB 76 GLU HG 4.53 #peak 2394
10 ILE HA 74 THR HB 5.81 #peak 2396
74 THR HB 75 VAL H 3.59 #peak 2398
11 VAL HB 74 THR HG2 3.69 #peak 2399
73 PHE HB3 74 THR HG2 4.43
73 PHE HB2 74 THR HG2 3.75 #peak 2402
74 THR HA 74 THR HG2 3.08 #peak 2405
73 PHE HA 74 THR HG2 4.34 #peak 2406
73 PHE HD 74 THR HG2 4.65
74 THR H 74 THR HG2 3.83
11 VAL H 74 THR HG2 3.86 #peak 2410
73 PHE H 74 THR HG2 5.03 #peak 2412
10 ILE HG2 75 VAL HB 5.78 #peak 2414
63 MET HG3 75 VAL HG1 4.33 #peak 2421
63 MET HA 75 VAL HG1 3.48 #peak 2423
75 VAL HA 75 VAL HG1 3.94
63 MET H 75 VAL HG1 4.98 #peak 2427
9 ARG H 75 VAL HG1 5.21 #peak 2429
67 ARG HA 75 VAL HG2 3.65 #peak 2434
64 ASP HA 75 VAL HG1 6.49 #peak 2435
10 ILE HA 75 VAL HG2 4.38 #peak 2438
66 LEU H 75 VAL HG1 4.97 #peak 2439
9 ARG H 76 GLU HB3 6.08
8 ILE HG2 76 GLU HG 5.68 #peak 2450
76 GLU HG 78 LEU HD2 6.27 #peak 2450
74 THR HG2 76 GLU HG 5.19 #peak 2451
9 ARG HB 76 GLU HG 4.88 #peak 2452
74 THR HA 76 GLU HG 4.90 #peak 2455
9 ARG H 76 GLU HG 5.50
59 LEU HD1 77 ARG HG2 5.42 #peak 2471
77 ARG HA 77 ARG HG2 4.06
77 ARG H 77 ARG HG2 4.71
59 LEU HD1 77 ARG HG3 5.42 #peak 2480
59 LEU HD2 77 ARG HG3 4.60 #peak 2481
77 ARG HA 77 ARG HG3 4.06 #peak 2484
77 ARG HG3 78 LEU H 4.61 #peak 2485
77 ARG H 77 ARG HG3 4.71 #peak 2486
59 LEU HD1 77 ARG HD 4.24 #peak 2487
59 LEU HD2 77 ARG HD 3.59 #peak 2488
6 ALA HB 77 ARG HD 4.49 #peak 2489
77 ARG HB2 77 ARG HD 3.86 #peak 2490
77 ARG HB3 77 ARG HD 3.86 #peak 2491
4 PHE HZ 77 ARG HD 5.64 #peak 2492
4 PHE HE 77 ARG HD 5.28
77 ARG HD 78 LEU H 5.00
78 LEU HB3 78 LEU HD1 4.04
78 LEU HB3 78 LEU HD2 4.21
7 GLY HA3 78 LEU HB3 5.24
77 ARG HA 78 LEU HB3 5.82
7 GLY HA2 78 LEU HB3 5.90
8 ILE H 78 LEU HB3 6.35
9 ARG H 78 LEU HB3 6.50
78 LEU HB2 78 LEU HD1 3.74
77 ARG HA 78 LEU HB2 5.38 #peak 2508
7 GLY HA2 78 LEU HB2 5.26 #peak 2509
78 LEU HB2 80 ASN H 5.96 #peak 2511
7 GLY H 78 LEU HB2 6.19
77 ARG HA 78 LEU HG 5.15 #peak 2516
9 ARG HA 78 LEU HG 5.55
7 GLY HA2 78 LEU HG 5.68
78 LEU H 78 LEU HG 4.23
9 ARG HB 78 LEU HD1 3.68 #peak 2521
50 MET HE 78 LEU HD1 4.08 #peak 2522
48 ASN HB3 78 LEU HD1 4.80 #peak 2523
48 ASN HB2 78 LEU HD1 4.80
9 ARG HD 78 LEU HD1 4.24
7 GLY HA3 78 LEU HD1 3.94
78 LEU HA 78 LEU HD1 3.94
8 ILE HA 78 LEU HD1 4.75
9 ARG HA 78 LEU HD1 4.10 #peak 2529
48 ASN HA 78 LEU HD1 4.48 #peak 2529
7 GLY HA2 78 LEU HD1 4.13
48 ASN HD21 78 LEU HD1 4.66
7 GLY H 78 LEU HD1 6.06
78 LEU HD1 79 SER H 6.50
50 MET H 78 LEU HD1 6.46 #peak 2535
76 GLU H 78 LEU HD1 6.50 #peak 2535
8 ILE H 78 LEU HD1 3.96
9 ARG HB 78 LEU HD2 3.31 #peak 2538
9 ARG HD 78 LEU HD2 3.75 #peak 2540
8 ILE HA 78 LEU HD2 5.28
9 ARG HA 78 LEU HD2 4.18 #peak 2543
48 ASN HD22 78 LEU HD2 5.18
78 LEU H 78 LEU HD2 4.21
76 GLU H 78 LEU HD2 6.34 #peak 2548
9 ARG H 78 LEU HD2 4.39
78 LEU HB3 79 SER HB 5.83 #peak 2550
78 LEU H 79 SER HB 5.91 #peak 2552
80 ASN HB2 81 LEU HD2 5.84 #peak 2555
80 ASN HB2 81 LEU H 4.92
80 ASN HB3 81 LEU HD2 5.84 #peak 2561
80 ASN HB3 81 LEU H 4.92
81 LEU HA 82 GLU HB 5.42 #peak 2569
81 LEU HB2 81 LEU HD1 3.68
81 LEU HB2 81 LEU HD2 4.00
81 LEU HA 81 LEU HG 3.99
81 LEU HB3 81 LEU HD1 3.24 #peak 2585
50 MET HG2 81 LEU HD1 5.93
50 MET HG3 81 LEU HD1 5.12 #peak 2588
7 GLY HA3 81 LEU HD1 4.98
81 LEU HA 81 LEU HD1 4.11
5 LEU HA 81 LEU HD1 5.71 #peak 2591
79 SER HA 81 LEU HD1 6.19 #peak 2591
7 GLY HA2 81 LEU HD1 4.72 #peak 2592
81 LEU HD1 82 GLU H 5.18
7 GLY H 81 LEU HD1 4.18 #peak 2594
6 ALA H 81 LEU HD1 5.27 #peak 2595
81 LEU HB3 81 LEU HD2 3.20 #peak 2596
50 MET HG3 81 LEU HD2 4.72 #peak 2598
7 GLY HA3 81 LEU HD2 4.09 #peak 2599
81 LEU HA 81 LEU HD2 3.01 #peak 2600
7 GLY HA2 81 LEU HD2 4.30 #peak 2602
81 LEU H 81 LEU HD2 4.22
7 GLY H 81 LEU HD2 4.31 #peak 2605
79 SER H 81 LEU HD2 4.88 #peak 2605
8 ILE H 81 LEU HD2 5.19 #peak 2606
82 GLU HA 83 HIS HB2 5.44 #peak 2609
82 GLU HB 83 HIS HD2 5.22 #peak 2614
82 GLU HA 82 GLU HG2 4.08 #peak 2617
82 GLU HG2 83 HIS HA 5.85 #peak 2618
82 GLU HA 82 GLU HG3 4.08 #peak 2622
82 GLU HG3 83 HIS HA 5.85 #peak 2623
82 GLU H 82 GLU HG3 4.29
5 LEU HB3 81 LEU HD1 4.89 #peak 2629
8 ILE HB 9 ARG HA 6.35
8 ILE HB 48 ASN HA 6.50
10 ILE HG13 22 ILE HG2 5.55 #peak 2634
10 ILE HG13 26 ILE HD1 5.85 #peak 2634
8 ILE HG2 10 ILE HG13 4.00 #peak 2635
10 ILE HG13 66 LEU HD1 4.40 #peak 2635
11 VAL HG1 47 CYS H 6.04
12 GLY HA2 18 MET HE 5.88 #peak 2638
18 MET HE 69 VAL HG1 2.84 #peak 2641
18 MET HE 72 VAL HG2 3.00 #peak 2641
18 MET HE 21 GLN HE21 4.92
18 MET HA 21 GLN HB3 4.05 #peak 2643
18 MET HA 21 GLN HB2 4.66 #peak 2644
21 GLN HG3 24 GLY H 5.69 #peak 2646
23 THR HG2 26 ILE H 5.01 #peak 2647
27 SER HA 33 ILE HG12 5.82 #peak 2653
23 THR H 26 ILE HD1 5.39 #peak 2657
34 ARG HA 34 ARG HD3 5.61 #peak 2660
34 ARG HA 34 ARG HD2 5.61
36 ILE HA 37 VAL HB 5.04 #peak 2662
11 VAL HA 44 ILE HG2 4.69 #peak 2669
11 VAL HA 44 ILE HD1 5.95
39 ASN H 46 THR HB 6.08 #peak 2671
45 PHE H 46 THR HB 6.49 #peak 2671
51 ILE HD1 53 VAL HA 5.05 #peak 2673
3 ASP HB2 54 LYS HA 5.60 #peak 2674
56 THR HG2 77 ARG HD 6.50 #peak 2676
61 THR HG2 65 LYS HB3 5.35 #peak 2679
8 ILE HD1 62 LEU HA 5.82
29 PHE HE 65 LYS HD3 5.06 #peak 2682
41 LYS HE 44 ILE HB 4.85 #peak 2684
68 LYS HB3 68 LYS HE 5.30 #peak 2684
49 LEU HD2 62 LEU HD2 4.58 #peak 2686
62 LEU HD2 66 LEU HD1 5.13 #peak 2686
26 ILE H 66 LEU HD2 5.00 #peak 2688
68 LYS HB2 69 VAL HG2 5.48 #peak 2689
18 MET HE 72 VAL HA 5.17 #peak 2691
71 GLY H 72 VAL HB 5.43 #peak 2693
44 ILE HG2 73 PHE HB3 6.50 #peak 2694
72 VAL HG2 73 PHE HB3 6.50 #peak 2694
73 PHE HB3 75 VAL HG2 6.50 #peak 2694
63 MET HA 75 VAL HB 5.67 #peak 2695
7 GLY HA3 78 LEU HG 5.79 #peak 2697
50 MET HG2 78 LEU HD1 5.11 #peak 2699
50 MET HE 81 LEU HB2 4.97
50 MET HE 81 LEU HB3 5.06 #peak 2702
7 GLY H 81 LEU HG 6.50
79 SER H 81 LEU HG 6.50
5 LEU HD1 81 LEU HD1 3.94 #peak 2704
81 LEU HD1 83 HIS HB3 5.21 #peak 2706
5 LEU HB2 83 HIS HB3 6.50 #peak 2708
5 LEU HG 83 HIS HB3 6.50 #peak 2708
50 MET HE 83 HIS HB3 5.92
82 GLU H 83 HIS HB3 5.79 #peak 2713
5 LEU HD2 83 HIS HB2 5.60 #peak 2714
81 LEU HD1 83 HIS HB2 5.29 #peak 2715
4 PHE HA 5 LEU HB2 4.74 #peak 1
4 PHE HA 5 LEU HB3 4.93
4 PHE HA 5 LEU H 3.11 #peak 8
4 PHE HA 5 LEU HA 4.60
8 ILE HA 8 ILE HG2 3.47
8 ILE HA 78 LEU HB2 4.31 #peak 17
8 ILE HA 77 ARG HA 4.33 #peak 20
8 ILE HA 9 ARG H 3.39
10 ILE HA 10 ILE HG2 3.47
10 ILE HA 10 ILE HG12 4.14
10 ILE HA 75 VAL HA 3.84 #peak 26
13 GLU HA 13 GLU HG 3.90
13 GLU HA 44 ILE HA 3.87 #peak 33
13 GLU HA 14 ASP H 3.28 #peak 35
13 GLU HA 45 PHE H 4.42 #peak 36
15 LYS HA 15 LYS HG 3.42
13 GLU HG 15 LYS HA 5.74
5 LEU HA 6 ALA HA 4.59 #peak 41
15 LYS HA 17 GLY H 4.42 #peak 43
31 THR HA 31 THR HG2 3.37
31 THR HA 32 ASN H 3.36 #peak 53
32 ASN HA 33 ILE HB 4.71 #peak 54
32 ASN HA 33 ILE H 3.46
41 LYS HA 41 LYS HG 3.45
41 LYS HA 41 LYS HD 4.28 #peak 64
41 LYS HA 42 ASP H 3.07 #peak 67
41 LYS HG 42 ASP HA 4.81 #peak 68
11 VAL HG2 46 THR HA 3.30 #peak 73
11 VAL HA 46 THR HA 3.81 #peak 76
51 ILE HA 51 ILE HD1 4.52
33 ILE HA 51 ILE HA 4.71 #peak 82
34 ARG H 51 ILE HA 4.24 #peak 84
53 VAL HA 53 VAL HG2 3.83 #peak 86
53 VAL HA 54 LYS H 3.37 #peak 89
57 ASP HA 60 THR HG2 3.80 #peak 93
57 ASP HA 60 THR H 4.40 #peak 97
60 THR HB 61 THR H 4.01 #peak 100
60 THR H 60 THR HB 3.71
64 ASP HA 67 ARG HB 3.52 #peak 102
64 ASP HA 67 ARG HD 4.08 #peak 105
64 ASP HA 66 LEU H 4.61
71 GLY HA2 72 VAL HG2 4.87 #peak 108
72 VAL HG1 73 PHE HA 4.34 #peak 117
73 PHE HA 75 VAL HG2 4.88 #peak 118
72 VAL HA 73 PHE HA 4.48 #peak 122
73 PHE HA 73 PHE HD 3.64 #peak 123
74 THR HA 75 VAL HG2 3.85 #peak 127
74 THR HA 75 VAL H 2.92 #peak 132
75 VAL HA 75 VAL HG2 4.01 #peak 133
76 GLU HA 76 GLU HG 3.86 #peak 140
76 GLU HA 77 ARG H 2.95 #peak 141
77 ARG HA 78 LEU H 3.23 #peak 143
78 LEU HA 78 LEU HD2 2.95 #peak 144
78 LEU HA 78 LEU HG 4.05 #peak 146
79 SER HA 81 LEU HD2 4.73 #peak 149
79 SER HA 81 LEU HG 4.99 #peak 150
77 ARG HG3 79 SER HA 5.19 #peak 151
77 ARG HG2 79 SER HA 5.19 #peak 152
80 ASN HA 81 LEU HG 4.10 #peak 156
80 ASN HA 81 LEU H 3.16 #peak 158
29 PHE HA 62 LEU HD2 4.80
29 PHE HA 29 PHE HE 4.58 #peak 163
83 HIS HA 83 HIS HB3 2.55 #peak 165
83 HIS HA 83 HIS HD2 3.77 #peak 166
4 PHE HD 53 VAL HG2 3.41
4 PHE HD 59 LEU HD2 4.69 #peak 3
4 PHE HD 6 ALA HB 3.41 #peak 4
4 PHE HD 5 LEU HB3 4.73 #peak 5
4 PHE HD 54 LYS HA 5.08 #peak 6
4 PHE HD 6 ALA HA 3.40 #peak 7
4 PHE HA 4 PHE HD 3.81 #peak 8
4 PHE HD 5 LEU H 3.45 #peak 9
4 PHE H 4 PHE HD 3.19 #peak 10
4 PHE HE 53 VAL HG2 3.47
4 PHE HE 59 LEU HD2 2.77 #peak 13
4 PHE HE 6 ALA HB 2.92 #peak 14
4 PHE HE 56 THR HG2 3.33 #peak 14
29 PHE HE 66 LEU HG 4.15 #peak 16
12 GLY HA2 73 PHE HD 4.22 #peak 18
29 PHE HE 62 LEU HA 4.53 #peak 18
4 PHE HE 56 THR HA 3.85
4 PHE HE 55 ASN HA 3.19 #peak 20
73 PHE HD 74 THR H 3.78 #peak 21
13 GLU H 73 PHE HD 4.32 #peak 22
4 PHE H 4 PHE HE 4.73 #peak 23
4 PHE HE 7 GLY H 5.23 #peak 23
4 PHE HZ 53 VAL HG2 3.84
4 PHE HZ 53 VAL HG1 4.43
4 PHE HZ 59 LEU HD2 3.58 #peak 26
4 PHE HZ 56 THR HG2 3.35 #peak 27
4 PHE HZ 56 THR HA 3.55 #peak 28
4 PHE HZ 56 THR HB 4.67
4 PHE HZ 6 ALA HA 5.40 #peak 30
4 PHE HZ 55 ASN HA 5.12 #peak 31
29 PHE HD 62 LEU HD2 3.94 #peak 32
29 PHE HD 62 LEU HD1 3.82 #peak 33
26 ILE HG2 29 PHE HD 4.15 #peak 34
29 PHE HD 49 LEU HD2 3.56 #peak 35
29 PHE HD 31 THR HG2 3.68
29 PHE HD 51 ILE HG12 5.04 #peak 37
29 PHE HD 62 LEU HB3 5.64 #peak 37
29 PHE HD 65 LYS HD3 4.66 #peak 38
29 PHE HD 65 LYS HD2 4.66
26 ILE HA 29 PHE HD 4.44 #peak 40
29 PHE HA 29 PHE HD 3.08 #peak 44
29 PHE H 29 PHE HD 3.45 #peak 45
29 PHE HZ 66 LEU HD2 3.13 #peak 48
25 VAL HG1 29 PHE HZ 3.83 #peak 49
26 ILE HG2 29 PHE HZ 5.12 #peak 50
26 ILE HD1 29 PHE HZ 5.44 #peak 50
29 PHE HZ 62 LEU HB3 4.11 #peak 51
29 PHE HZ 65 LYS HG3 6.41 #peak 52
29 PHE HZ 66 LEU HG 3.63 #peak 54
29 PHE HZ 66 LEU HA 4.98 #peak 55
29 PHE HZ 66 LEU H 4.87 #peak 57
38 LEU HD1 45 PHE HD 3.62
19 THR HG2 45 PHE HD 3.64 #peak 60
10 ILE HG2 45 PHE HD 5.53
45 PHE HD 47 CYS HG 6.12
40 ALA HB 45 PHE HD 4.40
38 LEU HG 45 PHE HD 4.45 #peak 63
18 MET HE 45 PHE HD 4.45
45 PHE HD 47 CYS HB2 4.06 #peak 67
14 ASP HA 45 PHE HD 3.84 #peak 69
44 ILE HA 45 PHE HD 4.59 #peak 70
45 PHE HD 46 THR HA 5.00 #peak 70
45 PHE HA 45 PHE HD 4.10
12 GLY H 45 PHE HD 4.51 #peak 73
14 ASP H 45 PHE HD 4.64 #peak 74
45 PHE HD 46 THR H 4.19
45 PHE H 45 PHE HD 3.72 #peak 76
22 ILE HG2 45 PHE HE 3.58 #peak 77
38 LEU HD1 45 PHE HE 3.97 #peak 77
22 ILE HD1 45 PHE HE 3.71
19 THR HG2 45 PHE HE 4.29 #peak 79
45 PHE HE 72 VAL HG2 4.88 #peak 79
10 ILE HG2 45 PHE HE 3.92
22 ILE HG13 45 PHE HE 4.50 #peak 81
10 ILE HB 45 PHE HE 4.42 #peak 82
18 MET HB2 45 PHE HE 4.10 #peak 84
18 MET HB3 45 PHE HE 4.10 #peak 85
45 PHE HE 47 CYS HB2 4.73 #peak 86
12 GLY HA3 45 PHE HE 4.52 #peak 88
12 GLY H 45 PHE HE 4.17 #peak 91
13 GLU H 45 PHE HE 4.67 #peak 92
22 ILE HG2 45 PHE HZ 3.95 #peak 93
22 ILE HD1 45 PHE HZ 3.52
45 PHE HZ 72 VAL HG2 3.71 #peak 95
10 ILE HG2 45 PHE HZ 4.21
22 ILE HG13 45 PHE HZ 4.40 #peak 97
45 PHE HZ 71 GLY HA3 6.10 #peak 99
45 PHE HZ 72 VAL HA 6.45 #peak 99
5 LEU HD1 52 PHE HD 3.43 #peak 101
51 ILE HD1 52 PHE HD 5.65 #peak 102
52 PHE HD 53 VAL HG1 5.95 #peak 102
5 LEU HD2 52 PHE HD 4.94 #peak 103
5 LEU HB2 52 PHE HD 4.07 #peak 104
5 LEU HB3 52 PHE HD 5.27
5 LEU HA 52 PHE HD 3.33 #peak 110
4 PHE HA 52 PHE HD 3.56 #peak 112
52 PHE HA 52 PHE HD 3.13 #peak 113
52 PHE H 52 PHE HD 3.63 #peak 115
5 LEU H 52 PHE HD 4.02 #peak 116
4 PHE H 52 PHE HD 4.50
52 PHE HD 53 VAL H 3.51 #peak 118
6 ALA H 52 PHE HD 4.73 #peak 119
5 LEU HD1 52 PHE HE 3.55
5 LEU HD2 52 PHE HE 3.79
5 LEU HB2 52 PHE HE 3.44
5 LEU HB3 52 PHE HE 4.40
4 PHE HB 52 PHE HE 4.67 #peak 126
4 PHE HA 52 PHE HE 3.99
5 LEU H 52 PHE HE 4.12
5 LEU HD1 52 PHE HZ 4.09 #peak 130
5 LEU HD2 52 PHE HZ 4.20 #peak 131
5 LEU HB2 52 PHE HZ 3.95
29 PHE HE 65 LYS HE 3.67 #peak 133
73 PHE H 73 PHE HD 4.01 #peak 136
44 ILE HD1 73 PHE HE 3.50 #peak 137
44 ILE HG2 73 PHE HE 3.32 #peak 138
73 PHE HE 74 THR HG2 4.08 #peak 139
44 ILE HG13 73 PHE HE 5.64
44 ILE HG12 73 PHE HE 4.71
13 GLU HB3 73 PHE HE 3.67 #peak 142
13 GLU HG 73 PHE HE 3.68 #peak 144
13 GLU HA 73 PHE HE 3.91
13 GLU H 73 PHE HE 3.87 #peak 147
44 ILE HG2 73 PHE HZ 3.65 #peak 148
73 PHE HZ 74 THR HG2 5.15 #peak 149
13 GLU HB3 73 PHE HZ 3.63 #peak 150
13 GLU HA 73 PHE HZ 4.11
13 GLU H 73 PHE HZ 4.09 #peak 154
4 PHE HD 53 VAL H 4.76
4 PHE HE 53 VAL HG1 4.22
26 ILE HG2 29 PHE HE 4.00 #peak 157
29 PHE HE 49 LEU HD2 3.16 #peak 158
5 LEU HD2 83 HIS HD2 4.23 #peak 159
81 LEU HD2 83 HIS HD2 4.49 #peak 159
81 LEU HD1 83 HIS HD2 3.62 #peak 160
5 LEU HG 83 HIS HD2 5.52 #peak 161
81 LEU HB3 83 HIS HD2 3.97 #peak 162
50 MET HE 83 HIS HD2 3.86 #peak 163
82 GLU HG2 83 HIS HD2 5.07 #peak 164
82 GLU HG3 83 HIS HD2 5.07 #peak 164
83 HIS HB2 83 HIS HD2 3.19 #peak 165
82 GLU HA 83 HIS HD2 4.81 #peak 166
81 LEU HA 83 HIS HD2 3.89 #peak 167
81 LEU HD1 83 HIS HE1 4.79 #peak 168
50 MET HE 83 HIS HE1 4.83 #peak 170
3 ASP HA 54 LYS HB 4.80
3 ASP HB 4 PHE H 3.68
3 ASP HB 52 PHE HB 4.97
3 ASP HB 52 PHE HD 3.78
3 ASP HB 54 LYS HA 4.86
4 PHE H 52 PHE HB 5.62
4 PHE H 54 LYS HB 6.27
4 PHE HZ 59 LEU HB 6.11
5 LEU HD1 34 ARG HB 4.05
5 LEU HD1 34 ARG HG 4.40
5 LEU HD1 50 MET HB 4.16
5 LEU HD1 52 PHE HB 5.06
5 LEU HD2 50 MET HB 5.60
6 ALA HB 59 LEU HB 5.37
6 ALA HB 77 ARG HG 5.72
7 GLY H 77 ARG HG 5.53
7 GLY HA2 8 ILE HG1 5.00
7 GLY HA3 8 ILE HG1 6.27
8 ILE H 8 ILE HG1 3.85
8 ILE HA 8 ILE HG1 3.59
8 ILE HG2 8 ILE HG1 3.38
8 ILE HG2 66 LEU HB 4.68
8 ILE HG1 49 LEU HB3 5.31
8 ILE HG1 59 LEU HD1 3.70
8 ILE HG1 63 MET HG2 5.70
8 ILE HG1 63 MET HE 5.90
8 ILE HG1 77 ARG HA 4.76
8 ILE HG1 77 ARG HB 5.01
8 ILE HD1 63 MET HB 5.57
8 ILE HD1 66 LEU HB 6.07
9 ARG H 9 ARG HG 4.77
9 ARG HG 11 VAL HG2 3.92
9 ARG HG 47 CYS H 6.13
9 ARG HG 76 GLU H 5.47
9 ARG HD 48 ASN HD2 5.20
10 ILE HG2 66 LEU HB 5.35
10 ILE HD1 66 LEU HB 5.20
13 GLU HA 14 ASP HB 5.94
13 GLU HG 15 LYS HB 4.28
14 ASP H 14 ASP HB 3.58
14 ASP HA 15 LYS HB 5.77
14 ASP HA 18 MET HB 5.38
14 ASP HB 40 ALA HB 4.41
14 ASP HB 43 GLY H 5.23
14 ASP HB 43 GLY HA 4.13
14 ASP HB 44 ILE HA 5.13
14 ASP HB 44 ILE HG2 5.78
14 ASP HB 45 PHE H 6.27
14 ASP HB 45 PHE HD 4.63
15 LYS H 18 MET HB 3.59
15 LYS H 18 MET HG 3.80
15 LYS HA 16 ASN HB 5.51
15 LYS HA 16 ASN HD2 5.66
15 LYS HB 15 LYS HE 4.68
15 LYS HB 16 ASN HB 4.82
15 LYS HB 18 MET H 5.95
15 LYS HB 18 MET HB 4.82
15 LYS HB 18 MET HG 5.12
15 LYS HG 16 ASN HB 4.88
15 LYS HG 16 ASN HD2 4.81
15 LYS HG 18 MET HG 4.54
15 LYS HD 16 ASN HD2 4.69
15 LYS HE 16 ASN HD2 4.49
16 ASN HA 16 ASN HD2 4.65
16 ASN HB 16 ASN HD2 3.13
16 ASN HB 17 GLY H 4.00
16 ASN HB 18 MET H 5.59
17 GLY H 18 MET HG 5.09
17 GLY HA 19 THR H 4.90
17 GLY HA 20 ASN H 4.74
17 GLY HA 20 ASN HB 5.62
17 GLY HA 21 GLN HE21 5.62
17 GLY HA 21 GLN HE22 6.27
18 MET H 18 MET HB 3.23
18 MET HB 18 MET HE 3.57
18 MET HB 20 ASN H 5.61
18 MET HB 22 ILE HB 5.18
18 MET HB 22 ILE HG2 5.72
18 MET HB 22 ILE HG12 5.32
18 MET HB 45 PHE HD 4.91
18 MET HG 18 MET HE 3.38
18 MET HG 19 THR H 5.10
18 MET HG 21 GLN HE22 4.69
18 MET HG 45 PHE HE 4.58
18 MET HG 45 PHE HZ 5.47
18 MET HG 71 GLY H 6.27
19 THR HG2 45 PHE HB 3.81
20 ASN H 20 ASN HB 3.45
20 ASN HB 21 GLN H 3.73
20 ASN HB 21 GLN HE21 5.32
23 THR HA 26 ILE HG1 4.77
23 THR HB 26 ILE HG1 6.27
23 THR HG2 24 GLY HA 5.23
23 THR HG2 26 ILE HG1 5.38
23 THR HG2 27 SER HB 5.27
24 GLY H 26 ILE HG1 6.27
24 GLY HA 25 VAL HA 4.67
24 GLY HA 26 ILE H 5.52
24 GLY HA 26 ILE HB 6.25
24 GLY HA 26 ILE HG1 6.04
24 GLY HA 27 SER HG 4.56
24 GLY HA 28 LYS HG 6.04
24 GLY HA 28 LYS HE 6.27
25 VAL H 26 ILE HG1 5.11
25 VAL H 28 LYS HG 5.16
25 VAL H 28 LYS HD 6.27
25 VAL HA 28 LYS HB 4.43
25 VAL HA 28 LYS HG 4.43
25 VAL HA 28 LYS HD 4.56
25 VAL HG1 28 LYS HB 5.95
25 VAL HG1 28 LYS HG 4.61
25 VAL HG1 28 LYS HD 4.54
25 VAL HG2 28 LYS HG 4.12
26 ILE H 26 ILE HG1 3.66
26 ILE H 28 LYS HG 5.75
26 ILE HG2 29 PHE HB 5.23
26 ILE HG1 27 SER H 4.99
26 ILE HG1 27 SER HG 6.27
26 ILE HG1 29 PHE HZ 5.47
27 SER H 27 SER HB 3.38
27 SER H 28 LYS HB 5.64
27 SER HB 28 LYS H 4.15
27 SER HB 33 ILE HD1 3.91
27 SER HG 28 LYS HD 5.59
28 LYS H 28 LYS HB 3.24
28 LYS H 28 LYS HG 3.41
28 LYS H 28 LYS HD 5.00
28 LYS HA 28 LYS HG 3.39
28 LYS HA 28 LYS HD 4.56
28 LYS HB 28 LYS HD 3.23
28 LYS HB 28 LYS HE 4.01
28 LYS HB 29 PHE H 4.19
28 LYS HG 28 LYS HE 3.35
28 LYS HG 29 PHE H 5.04
29 PHE H 29 PHE HB 3.38
29 PHE HB 31 THR H 4.00
29 PHE HB 31 THR HG2 3.68
29 PHE HB 33 ILE HD1 6.05
29 PHE HB 51 ILE HD1 6.18
29 PHE HB 62 LEU HD1 4.33
29 PHE HB 62 LEU HD2 4.61
29 PHE HD 65 LYS HD 3.86
29 PHE HE 65 LYS HD 4.24
29 PHE HZ 65 LYS HD 4.54
31 THR HG2 58 LYS HE 3.96
32 ASN H 32 ASN HB 3.51
32 ASN HB 33 ILE HG2 6.27
32 ASN HB 33 ILE HG13 6.27
32 ASN HB 33 ILE HD1 6.27
32 ASN HB 51 ILE HG2 5.69
34 ARG H 50 MET HB 5.72
34 ARG HA 34 ARG HD 4.86
34 ARG HB 35 THR H 3.97
34 ARG HB 50 MET HG2 6.27
34 ARG HB 50 MET HG3 6.10
34 ARG HB 51 ILE H 5.21
34 ARG HB 51 ILE HA 4.38
34 ARG HG 35 THR H 6.27
34 ARG HG 52 PHE HD 3.87
34 ARG HG 52 PHE HE 4.13
35 THR H 50 MET HB 3.92
35 THR HB 50 MET HB 3.66
35 THR HG2 50 MET HB 4.09
36 ILE HG2 48 ASN HB 6.27
36 ILE HG1 37 VAL H 4.37
36 ILE HG1 37 VAL HA 4.48
36 ILE HG1 37 VAL HG2 4.90
36 ILE HG1 49 LEU HA 5.41
37 VAL H 48 ASN HB 4.58
37 VAL HB 48 ASN HB 3.94
37 VAL HB 48 ASN HD2 4.92
37 VAL HG1 39 ASN HD2 3.54
37 VAL HG1 48 ASN HB 4.55
37 VAL HG1 48 ASN HD2 4.78
37 VAL HG2 48 ASN HB 3.97
37 VAL HG2 48 ASN HD2 5.04
38 LEU HD1 45 PHE HB 4.60
38 LEU HD2 39 ASN HD2 6.27
38 LEU HD2 45 PHE HB 4.15
39 ASN H 45 PHE HB 5.39
39 ASN HA 39 ASN HD2 4.73
39 ASN HB 39 ASN HD2 3.19
39 ASN HD2 41 LYS HB 5.39
39 ASN HD2 41 LYS HD 4.62
39 ASN HD2 41 LYS HE 4.90
39 ASN HD2 46 THR HB 5.34
39 ASN HD2 46 THR HG2 4.29
39 ASN HD2 48 ASN HD2 6.03
41 LYS H 45 PHE HB 4.74
41 LYS HB 42 ASP HB 5.57
41 LYS HG 42 ASP HB 4.33
42 ASP HB 44 ILE H 5.05
42 ASP HB 44 ILE HG12 5.11
42 ASP HB 44 ILE HG13 5.12
43 GLY HA 44 ILE HG2 6.09
43 GLY HA 44 ILE HG13 6.22
45 PHE HB 46 THR H 3.83
46 THR HG2 48 ASN HD2 4.99
46 THR HG1 48 ASN HD2 5.65
48 ASN H 48 ASN HD2 5.55
48 ASN HB 49 LEU H 4.32
48 ASN HB 78 LEU HD1 3.94
48 ASN HD2 50 MET HE 6.27
50 MET HB 83 HIS HE1 4.39
51 ILE HG2 52 PHE HB 6.07
51 ILE HD1 52 PHE HB 6.27
51 ILE HD1 58 LYS HE 5.53
52 PHE H 52 PHE HB 3.68
52 PHE HB 53 VAL H 4.05
53 VAL HA 54 LYS HB 4.78
53 VAL HG1 58 LYS HB 5.47
53 VAL HG1 58 LYS HE 4.92
53 VAL HG2 54 LYS HB 5.39
53 VAL HG2 54 LYS HG 5.26
53 VAL HG2 58 LYS HB 5.00
54 LYS H 54 LYS HG 3.96
54 LYS HB 54 LYS HE 4.24
54 LYS HB 55 ASN HB 6.04
54 LYS HB 55 ASN HD2 4.58
54 LYS HG 55 ASN H 4.91
54 LYS HG 55 ASN HD2 4.14
54 LYS HD 55 ASN HD2 4.29
54 LYS HE 55 ASN HD2 4.17
55 ASN H 58 LYS HB 4.33
55 ASN HB 56 THR HG2 5.91
55 ASN HB 57 ASP H 4.47
55 ASN HD2 57 ASP HB 4.81
55 ASN HD2 58 LYS H 5.94
55 ASN HD2 58 LYS HG3 6.27
56 THR HA 59 LEU HB 3.79
56 THR HB 59 LEU HB 6.08
56 THR HG2 59 LEU HB 4.68
57 ASP H 58 LYS HB 5.69
57 ASP HB 58 LYS HB 5.57
58 LYS H 58 LYS HB 3.10
58 LYS HA 58 LYS HE 5.74
58 LYS HB 59 LEU H 4.30
58 LYS HG2 58 LYS HE 3.62
58 LYS HE 59 LEU HA 6.27
58 LYS HE 62 LEU H 5.93
58 LYS HE 62 LEU HD1 4.21
58 LYS HE 62 LEU HD2 4.10
59 LEU HB 60 THR H 3.65
59 LEU HB 60 THR HG2 5.00
59 LEU HD1 77 ARG HB 5.20
59 LEU HD1 77 ARG HG 4.54
59 LEU HD2 77 ARG HB 5.05
59 LEU HD2 77 ARG HG 3.89
60 THR HA 63 MET HB 4.20
60 THR HG2 63 MET HB 5.50
62 LEU H 65 LYS HD 5.66
62 LEU HA 65 LYS HD 4.22
62 LEU HD1 65 LYS HD 5.37
62 LEU HD2 65 LYS HD 4.10
63 MET HA 66 LEU HB 4.66
63 MET HB 64 ASP H 3.58
63 MET HB 75 VAL HG1 4.18
63 MET HE 77 ARG HB 2.98
64 ASP HA 67 ARG HG 4.64
64 ASP HB3 68 LYS HG 6.27
65 LYS H 65 LYS HD 4.62
65 LYS HA 65 LYS HD 4.24
65 LYS HA 68 LYS HG 4.09
65 LYS HA 68 LYS HD 5.36
66 LEU HB 67 ARG H 3.77
66 LEU HB 67 ARG HA 5.18
66 LEU HB 68 LYS H 5.10
66 LEU HB 75 VAL HG1 4.00
67 ARG H 67 ARG HG 3.98
67 ARG H 68 LYS HG 5.04
67 ARG HA 67 ARG HG 3.74
67 ARG HG 68 LYS H 5.34
67 ARG HG 72 VAL HG1 5.23
67 ARG HG 75 VAL H 4.89
67 ARG HG 75 VAL HG1 4.63
67 ARG HG 75 VAL HG2 3.74
68 LYS H 68 LYS HG 3.57
68 LYS H 68 LYS HD 4.24
68 LYS HA 68 LYS HG 3.30
68 LYS HA 68 LYS HD 3.31
68 LYS HD 69 VAL H 6.27
69 VAL HG1 70 GLN HE2 5.32
76 GLU HA 77 ARG HB 4.77
77 ARG H 77 ARG HB 3.16
77 ARG H 77 ARG HG 3.97
77 ARG HB 77 ARG HD 3.21
77 ARG HB 77 ARG HE 6.15
77 ARG HG 78 LEU H 3.96
77 ARG HG 78 LEU HA 6.18
77 ARG HG 78 LEU HB2 6.08
77 ARG HG 79 SER HA 4.34
80 ASN HB 80 ASN HD2 3.15
80 ASN HB 81 LEU HD2 5.08
81 LEU H 82 GLU HG 6.18
82 GLU H 82 GLU HG 3.57
82 GLU HA 82 GLU HG 3.55
82 GLU HG 83 HIS HA 5.04
82 GLU HG 83 HIS HD2 4.34
list of removed NOE constraints
6-> PHE A 4 H - PHE A 4 HB 0.00 3.95 # NoRestrctn I [2.29 3.93] -- intra
165-> GLN A 21 H - ILE A 22 HA 0.00 5.30 # NoRestrctn S [2.00 3.99] -- sequential
188-> ILE A 22 H - THR A 23 HA 0.00 5.98 # NoRestrctn S [2.00 3.99] -- sequential
249-> LYS A 28 H - PHE A 29 HA 0.00 5.69 # NoRestrctn S [2.00 3.99] -- sequential
271-> THR A 31 H - ASN A 32 HA 0.00 5.71 # NoRestrctn S [2.00 3.99] -- sequential
312-> VAL A 37 H - LEU A 38 HA 0.00 5.34 # NoRestrctn S [2.00 3.99] -- sequential
316-> LEU A 38 H - LEU A 38 HB 0.00 3.97 # NoRestrctn I [2.29 3.93] -- intra
365-> ILE A 44 H - PHE A 45 HA 0.00 5.67 # NoRestrctn S [2.00 3.99] -- sequential
470-> LYS A 58 H - LEU A 59 HA 0.00 5.61 # NoRestrctn S [2.00 3.99] -- sequential
560-> ARG A 67 H - LYS A 68 HA 0.00 5.42 # NoRestrctn S [2.00 3.99] -- sequential
674-> LEU A 81 H - GLU A 82 HB 0.00 6.50 # NoRestrctn S [2.00 6.01] -- sequential
702-> LEU A 62 H - MET A 63 HA 0.00 5.91 # NoRestrctn S [2.00 3.99] -- sequential
752-> LEU A 5 H - ALA A 6 HB 0.00 6.26 # NoRestrctn S [2.00 6.01] -- sequential
911-> LYS A 15 HG - LYS A 15 HD 0.00 2.81 # NoRestrctn I [2.26 2.50] -- intra
1073-> ILE A 26 HA - ILE A 26 HG2 0.00 3.83 # NoRestrctn I [2.63 3.78] -- intra
1111-> ILE A 33 HA - ILE A 33 HG2 0.00 3.78 # NoRestrctn I [2.63 3.78] -- intra
1531-> LYS A 15 HD - LYS A 15 HE 0.00 2.95 # NoRestrctn I [2.27 2.51] -- intra
1557-> ASP A 57 HB - LYS A 58 HD 0.00 6.50 # NoRestrctn S [2.00 5.99] -- sequential
1625-> THR A 60 H - THR A 61 HA 0.00 5.45 # NoRestrctn S [2.00 3.99] -- sequential
1647-> THR A 61 H - LEU A 62 HA 0.00 5.80 # NoRestrctn S [2.00 3.99] -- sequential
1720-> ASP A 64 H - LYS A 65 HA 0.00 5.53 # NoRestrctn S [2.00 3.99] -- sequential
1824-> VAL A 69 H - GLN A 70 HB 0.00 6.17 # NoRestrctn S [2.00 6.01] -- sequential
1829-> GLN A 70 HB - GLN A 70 HG 0.00 2.72 # NoRestrctn I [2.26 2.50] -- intra
2049-> PHE A 4 HA - PHE A 4 HB 0.00 3.01 # FixedDistn I [0.00 0.00] -- intra
2106-> SER A 79 HA - SER A 79 HB 0.00 2.78 # FixedDistn I [0.00 0.00] -- intra
2300-> ASP A 14 HB - LYS A 15 HA 0.00 6.05 # NoRestrctn S [2.00 6.01] -- sequential
2320-> LYS A 15 HD - ASN A 16 HB 0.00 6.24 # NoRestrctn S [2.00 5.99] -- sequential
2387-> LYS A 28 H - PHE A 29 HB 0.00 6.06 # NoRestrctn S [2.00 6.01] -- sequential
2482-> LYS A 54 HD - ASN A 55 HB 0.00 6.27 # NoRestrctn S [2.00 5.99] -- sequential
2512-> LEU A 62 H - MET A 63 HB 0.00 6.27 # NoRestrctn S [2.00 6.01] -- sequential
====== TOTAL ======: 30
table of distance constraints violations
Residual Violations greater than 0.10
2-> THR A 2 HG2* - PHE A 4 HN [ 0.00 6.29] 0.08 0.14 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.08 .. 0.51]
4-> PHE A 4 HN - LEU A 5 HB3 [ 0.00 6.50] 0.13 0.17 0.04 0.09 0.03 0.05 0.13 0.08 0.08 0.02 0.09 0.06 0.08 0.10 0.00 0.05 0.10 0.14 0.06 0.10 - 19 [ 0.02 .. 0.17]
120-> THR A 19 HN - LEU A 38 HD1* [ 0.00 4.56] 0.04 0.06 0.02 0.06 0.07 0.14 0.15 0.02 0.08 0.07 0.06 0.13 0.02 0.09 0.02 0.03 0.00 0.08 0.11 0.01 - 19 [ 0.01 .. 0.15]
122-> LYS A 15 HG* - THR A 19 HN [ 0.00 6.50] 0.00 0.16 0.00 0.14 0.11 0.08 0.08 0.00 0.00 0.05 0.00 0.13 0.00 0.00 0.14 0.00 0.02 0.00 0.00 0.00 - 9 [ 0.02 .. 0.16]
143-> ASN A 20 HN - ASN A 20 HD22 [ 0.00 5.58] 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 - 2 [ 0.14 .. 0.17]
199-> ILE A 22 HG2* - GLY A 24 HN [ 0.00 4.70] 0.00 0.00 0.01 0.09 0.06 0.10 0.01 0.00 0.04 0.01 0.08 0.02 0.11 0.04 0.02 0.00 0.00 0.00 0.05 0.02 - 14 [ 0.01 .. 0.11]
272-> PHE A 29 HD* - THR A 31 HN [ 0.00 4.52] 0.00 0.07 0.08 0.00 0.17 0.12 0.10 0.10 0.01 0.03 0.00 0.15 0.28 0.10 0.05 0.06 0.03 0.04 0.12 0.40 - 17 [ 0.01 .. 0.40]
345-> LYS A 41 HN - PHE A 45 HD* [ 0.00 5.93] 0.13 0.11 0.03 0.03 0.03 0.04 0.00 0.09 0.03 0.06 0.11 0.08 0.00 0.08 0.13 0.00 0.11 0.00 0.08 0.00 - 16 [ 0.00 .. 0.13]
398-> PHE A 45 HZ - CYS A 47 HN [ 0.00 5.79] 0.07 0.10 0.06 0.13 0.12 0.14 0.08 0.08 0.06 0.11 0.10 0.14 0.14 0.01 0.17 0.05 0.09 0.08 0.10 0.14 - 20 [ 0.01 .. 0.17]
401-> ILE A 36 HD1* - ASN A 48 HN [ 0.00 5.17] 0.09 0.08 0.04 0.07 0.06 0.03 0.00 0.01 0.04 0.04 0.02 0.04 0.10 0.00 0.01 0.00 0.00 0.09 0.05 0.01 - 16 [ 0.01 .. 0.10]
410-> VAL A 37 HG1* - ASN A 48 HD22 [ 0.00 5.63] 0.00 0.00 0.00 0.00 0.00 0.03 0.22 0.00 0.00 0.00 0.00 0.01 0.00 0.09 0.00 0.07 0.00 0.00 0.00 0.00 - 5 [ 0.01 .. 0.22]
436-> ILE A 51 HG12 - PHE A 52 HN [ 0.00 4.98] 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 - 3 [ 0.02 .. 0.11]
441-> ASP A 3 HB3 - VAL A 53 HN [ 0.00 5.34] 0.13 0.00 0.01 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.01 .. 0.13]
458-> ASP A 57 HN - LYS A 58 HG3 [ 0.00 6.50] 0.09 0.04 0.12 0.05 0.04 0.08 0.02 0.08 0.03 0.05 0.10 0.06 0.07 0.08 0.04 0.09 0.05 0.05 0.00 0.04 - 19 [ 0.02 .. 0.12]
498-> LYS A 58 HZ* - THR A 61 HN [ 0.00 5.87] 0.00 0.03 0.03 0.02 0.02 0.04 0.03 0.00 0.00 0.04 0.00 0.05 0.12 0.05 0.02 0.04 0.00 0.03 0.02 0.11 - 16 [ 0.00 .. 0.12]
707-> ASP A 3 HB2 - VAL A 53 HN [ 0.00 5.34] 0.15 0.13 0.00 0.00 0.00 0.00 0.01 0.10 0.08 0.01 0.13 0.03 0.19 0.14 0.36 0.00 0.11 0.05 0.07 0.03 - 15 [ 0.01 .. 0.36]
765-> ILE A 8 HG2* - ARG A 77 HD* [ 0.00 6.18] 0.31 0.27 0.28 0.30 0.30 0.29 0.31 0.29 0.29 0.33 0.30 0.33 0.32 0.31 0.24 0.31 0.31 0.26 0.26 0.33 - 20 [ 0.24 .. 0.33]
774-> ILE A 8 HD1* - LEU A 62 HD2* [ 0.00 3.99] 0.01 0.05 0.02 0.06 0.06 0.08 0.03 0.03 0.04 0.08 0.00 0.01 0.10 0.07 0.03 0.05 0.01 0.04 0.07 0.13 - 19 [ 0.01 .. 0.13]
794-> ARG A 9 HD* - VAL A 11 HB [ 0.00 5.62] 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.26 .. 0.26]
853-> VAL A 11 HG2* - ALA A 40 HA [ 0.00 6.50] 0.25 0.19 0.25 0.42 0.43 0.30 0.44 0.14 0.31 0.35 0.17 0.36 0.23 0.23 0.11 0.38 0.15 0.33 0.11 0.34 - 20 [ 0.11 .. 0.44]
878-> GLU A 13 HB3 - LYS A 15 HD* [ 0.00 5.53] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 - 1 [ 0.49 .. 0.49]
882-> GLU A 13 HB2 - LYS A 15 HD* [ 0.00 4.76] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 - 2 [ 0.04 .. 0.38]
891-> GLU A 13 HG* - VAL A 69 HG1* [ 0.00 5.18] 0.12 0.09 0.05 0.06 0.10 0.14 0.08 0.04 0.00 0.10 0.06 0.11 0.00 0.28 0.14 0.01 0.11 0.06 0.06 0.00 - 17 [ 0.01 .. 0.28]
913-> LYS A 15 HD* - GLY A 71 HA2 [ 0.00 5.46] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 - 1 [ 0.16 .. 0.16]
917-> LYS A 68 HE* - VAL A 69 HG2* [ 0.00 6.50] 0.12 0.14 0.15 0.16 0.26 0.19 0.30 0.16 0.12 0.24 0.16 0.13 0.27 0.29 0.28 0.17 0.12 0.11 0.23 0.25 - 20 [ 0.11 .. 0.30]
931-> MET A 18 HA - GLN A 21 HA [ 0.00 5.46] 0.07 0.11 0.12 0.13 0.01 0.12 0.11 0.09 0.05 0.14 0.10 0.15 0.00 0.07 0.07 0.03 0.09 0.13 0.11 0.04 - 19 [ 0.01 .. 0.15]
964-> ASN A 20 HN - GLN A 21 HB2 [ 0.00 6.03] 0.11 0.11 0.10 0.13 0.10 0.14 0.11 0.15 0.05 0.11 0.11 0.12 0.01 0.11 0.12 0.09 0.13 0.16 0.06 0.14 - 20 [ 0.01 .. 0.16]
1005-> THR A 19 HA - ILE A 22 HG2* [ 0.00 3.97] 0.06 0.20 0.20 0.07 0.00 0.00 0.07 0.20 0.01 0.04 0.00 0.07 0.08 0.06 0.08 0.12 0.11 0.09 0.09 0.10 - 17 [ 0.01 .. 0.20]
1020-> ILE A 22 HD1* - THR A 23 HA [ 0.00 5.37] 0.19 0.17 0.13 0.20 0.25 0.14 0.23 0.18 0.17 0.21 0.25 0.15 0.19 0.24 0.28 0.17 0.18 0.21 0.25 0.17 - 20 [ 0.13 .. 0.28]
1063-> GLN A 21 HE22 - VAL A 25 HG2* [ 0.00 6.33] 0.10 0.00 0.00 0.09 0.11 0.00 0.07 0.00 0.04 0.06 0.10 0.09 0.03 0.08 0.07 0.00 0.05 0.04 0.00 0.02 - 14 [ 0.02 .. 0.11]
1094-> LYS A 28 HA - LYS A 28 HE* [ 0.00 5.20] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 - 1 [ 0.25 .. 0.25]
1136-> THR A 23 HB - ILE A 36 HG2* [ 0.00 5.44] 0.31 0.23 0.11 0.34 1.05 0.96 0.69 0.25 0.37 0.99 1.09 0.78 0.95 0.78 0.57 0.26 0.42 0.60 0.77 0.58 - 20 [ 0.11 .. 1.09]
1146-> THR A 35 HB - ILE A 36 HD1* [ 0.00 6.50] 0.42 0.53 0.55 0.59 0.42 0.25 0.63 0.39 0.34 0.46 0.46 0.28 0.45 0.49 0.72 0.27 0.35 0.34 0.65 0.39 - 20 [ 0.25 .. 0.72]
1259-> ALA A 40 HA - ILE A 44 HG13 [ 0.00 6.50] 0.33 0.38 0.42 0.54 0.50 0.47 0.47 0.43 0.39 0.56 0.48 0.38 0.51 0.27 0.38 0.25 0.37 0.57 0.19 0.43 - 20 [ 0.19 .. 0.57]
1284-> ILE A 44 HD1* - PHE A 45 HN [ 0.00 4.62] 0.12 0.17 0.11 0.14 0.15 0.14 0.18 0.18 0.14 0.17 0.14 0.18 0.16 0.25 0.14 0.11 0.13 0.13 0.12 0.17 - 20 [ 0.11 .. 0.25]
1291-> ILE A 44 HB - THR A 46 HG2* [ 0.00 5.47] 0.01 0.06 0.07 0.05 0.01 0.07 0.10 0.11 0.08 0.12 0.13 0.07 0.13 0.15 0.08 0.13 0.13 0.07 0.02 0.16 - 20 [ 0.01 .. 0.16]
1294-> ARG A 9 HD* - THR A 46 HG2* [ 0.00 5.18] 0.00 0.00 0.00 0.00 0.32 0.20 0.37 0.39 0.35 0.36 0.23 0.34 0.40 0.28 0.00 0.31 0.36 0.00 0.00 0.35 - 13 [ 0.20 .. 0.40]
1319-> THR A 23 HG1 - CYS A 47 HB3 [ 0.00 5.64] 0.00 0.03 0.04 0.10 0.05 0.13 0.01 0.06 0.09 0.12 0.07 0.04 0.12 0.02 0.02 0.00 0.01 0.04 0.05 0.05 - 19 [ 0.00 .. 0.13]
1341-> LEU A 49 HD1* - LEU A 62 HD2* [ 0.00 5.97] 0.00 0.00 0.04 0.01 0.03 0.00 0.00 0.01 0.00 0.04 0.00 0.03 0.06 0.05 0.01 0.04 0.00 0.00 0.00 0.13 - 13 [ 0.00 .. 0.13]
1380-> MET A 50 HG3 - ILE A 51 HN [ 0.00 5.57] 0.08 0.07 0.08 0.05 0.06 0.04 0.04 0.08 0.05 0.06 0.04 0.05 0.09 0.04 0.08 0.06 0.05 0.10 0.04 0.03 - 20 [ 0.03 .. 0.10]
1381-> ILE A 8 HN - MET A 50 HG3 [ 0.00 6.08] 0.07 0.04 0.11 0.07 0.04 0.02 0.00 0.00 0.01 0.02 0.07 0.00 0.00 0.00 0.07 0.00 0.08 0.07 0.03 0.02 - 15 [ 0.00 .. 0.11]
1431-> THR A 31 HB - ILE A 51 HG2* [ 0.00 4.50] 0.07 0.03 0.06 0.00 0.00 0.00 0.03 0.14 0.00 0.08 0.02 0.03 0.00 0.10 0.01 0.00 0.06 0.02 0.01 0.00 - 13 [ 0.01 .. 0.14]
1460-> ILE A 51 HD1* - LYS A 58 HZ* [ 0.00 4.78] 0.00 0.05 0.04 0.07 0.03 0.02 0.03 0.06 0.04 0.07 0.00 0.01 0.04 0.03 0.03 0.07 0.00 0.03 0.21 0.00 - 17 [ 0.00 .. 0.21]
1481-> PHE A 4 HB* - VAL A 53 HG1* [ 0.00 5.97] 0.08 0.09 0.10 0.18 0.14 0.13 0.14 0.07 0.11 0.11 0.11 0.10 0.08 0.09 0.08 0.14 0.12 0.13 0.11 0.15 - 20 [ 0.07 .. 0.18]
1533-> LYS A 15 HD* - ASN A 16 HD22 [ 0.00 5.47] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.26 0.24 0.00 0.17 0.00 0.00 - 4 [ 0.05 .. 0.26]
1565-> THR A 31 HG2* - LYS A 58 HG3 [ 0.00 5.34] 0.00 0.01 0.07 0.04 0.00 0.04 0.00 0.10 0.00 0.03 0.00 0.07 0.00 0.09 0.04 0.00 0.00 0.00 0.00 0.00 - 9 [ 0.01 .. 0.10]
1567-> PHE A 4 HZ - LYS A 58 HG3 [ 0.00 6.50] 0.05 0.02 0.07 0.09 0.09 0.09 0.06 0.04 0.07 0.10 0.12 0.08 0.07 0.09 0.10 0.02 0.11 0.06 0.00 0.08 - 19 [ 0.02 .. 0.12]
1659-> LEU A 62 HD1* - LEU A 66 HG [ 0.00 5.42] 0.00 0.00 0.00 0.03 0.07 0.10 0.03 0.02 0.05 0.08 0.01 0.06 0.11 0.14 0.08 0.05 0.02 0.00 0.03 0.09 - 16 [ 0.01 .. 0.14]
1674-> ASP A 30 HN - LEU A 62 HD1* [ 0.00 5.75] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.11 - 2 [ 0.11 .. 0.15]
1698-> THR A 61 HA - MET A 63 HE* [ 0.00 6.50] 0.09 0.10 0.09 0.06 0.12 0.00 0.12 0.00 0.13 0.00 0.10 0.00 0.00 0.00 0.08 0.00 0.10 0.08 0.00 0.00 - 11 [ 0.06 .. 0.13]
1701-> MET A 63 HE* - GLU A 76 HA [ 0.00 3.86] 0.09 0.12 0.12 0.07 0.05 0.06 0.14 0.06 0.07 0.09 0.09 0.10 0.10 0.06 0.10 0.08 0.08 0.12 0.11 0.08 - 20 [ 0.05 .. 0.14]
1714-> ASP A 64 HB3 - LYS A 65 HB2 [ 0.00 5.37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.18 0.17 0.00 0.00 0.00 0.00 0.11 - 4 [ 0.11 .. 0.18]
1715-> THR A 61 HA - ASP A 64 HB3 [ 0.00 4.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.06 0.14 0.00 0.00 0.00 0.00 0.04 - 4 [ 0.04 .. 0.14]
1728-> LEU A 62 HD1* - LYS A 65 HB3 [ 0.00 6.50] 0.07 0.10 0.09 0.09 0.12 0.09 0.06 0.10 0.08 0.08 0.07 0.12 0.08 0.09 0.11 0.13 0.07 0.08 0.09 0.08 - 20 [ 0.06 .. 0.13]
1791-> ASP A 64 HN - LYS A 65 HG2 [ 0.00 6.27] 0.00 0.00 0.00 0.00 0.01 0.00 0.04 0.00 0.00 0.01 0.00 0.00 0.07 0.08 0.10 0.00 0.00 0.00 0.00 0.07 - 9 [ 0.00 .. 0.10]
1795-> LYS A 15 HN - LYS A 15 HE* [ 0.00 5.41] 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 - 2 [ 0.13 .. 0.18]
1797-> LYS A 15 HE* - MET A 18 HN [ 0.00 6.50] 0.00 0.06 0.01 0.00 0.05 0.00 0.29 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 - 6 [ 0.01 .. 0.29]
1802-> LYS A 15 HD* - VAL A 69 HG1* [ 0.00 6.50] 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.48 0.16 0.16 0.00 - 5 [ 0.16 .. 0.48]
1813-> ASN A 20 HA - ILE A 22 HB [ 0.00 5.32] 0.24 0.15 0.13 0.00 0.03 0.09 0.13 0.07 0.23 0.11 0.13 0.08 0.00 0.06 0.03 0.12 0.08 0.08 0.03 0.05 - 18 [ 0.03 .. 0.24]
1865-> VAL A 72 HG1* - THR A 74 HB [ 0.00 4.91] 0.12 0.21 0.32 0.20 0.20 0.14 0.16 0.18 0.27 0.15 0.19 0.12 0.21 0.23 0.11 0.30 0.14 0.09 0.14 0.25 - 20 [ 0.09 .. 0.32]
1871-> PHE A 73 HB3 - THR A 74 HG2* [ 0.00 4.43] 0.23 0.38 0.19 0.31 0.28 0.27 0.28 0.30 0.34 0.28 0.26 0.30 0.26 0.17 0.18 0.17 0.22 0.24 0.23 0.37 - 20 [ 0.17 .. 0.38]
1877-> VAL A 11 HN - THR A 74 HG2* [ 0.00 3.86] 0.02 0.04 0.00 0.02 0.02 0.04 0.00 0.08 0.00 0.00 0.01 0.00 0.00 0.00 0.13 0.00 0.02 0.03 0.00 0.02 - 12 [ 0.00 .. 0.13]
1904-> LEU A 59 HD1* - ARG A 77 HD* [ 0.00 4.24] 0.10 0.04 0.04 0.23 0.08 0.00 0.00 0.00 0.11 0.03 0.12 0.02 0.00 0.04 0.04 0.00 0.15 0.02 0.00 0.00 - 13 [ 0.02 .. 0.23]
1906-> ALA A 6 HB* - ARG A 77 HD* [ 0.00 4.49] 0.39 0.36 0.37 0.17 0.00 0.09 0.38 0.43 0.05 0.35 0.23 0.34 0.37 0.34 0.00 0.38 0.20 0.42 0.35 0.21 - 18 [ 0.05 .. 0.43]
1909-> PHE A 4 HZ - ARG A 77 HD* [ 0.00 5.64] 0.16 0.26 0.13 0.00 0.00 0.00 0.41 0.20 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.27 0.00 0.45 0.44 0.00 - 10 [ 0.00 .. 0.45]
1910-> PHE A 4 HE* - ARG A 77 HD* [ 0.00 5.28] 0.10 0.14 0.20 0.00 0.00 0.00 0.17 0.21 0.00 0.19 0.00 0.00 0.02 0.09 0.00 0.14 0.00 0.31 0.30 0.00 - 11 [ 0.02 .. 0.31]
1932-> ARG A 9 HD* - LEU A 78 HD1* [ 0.00 4.24] 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.11 .. 0.28]
1953-> LEU A 78 HB3 - SER A 79 HB* [ 0.00 5.83] 0.03 0.14 0.05 0.00 0.00 0.10 0.11 0.03 0.00 0.04 0.12 0.02 0.00 0.03 0.02 0.00 0.03 0.05 0.00 0.05 - 14 [ 0.02 .. 0.14]
1983-> GLU A 82 HA - HIS A 83 HB2 [ 0.00 5.44] 0.10 0.00 0.00 0.00 0.06 0.04 0.12 0.00 0.01 0.20 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.06 0.00 - 9 [ 0.00 .. 0.20]
2012-> VAL A 11 HA - ILE A 44 HD1* [ 0.00 5.95] 0.06 0.27 0.10 0.14 0.05 0.16 0.14 0.21 0.14 0.10 0.11 0.15 0.12 0.08 0.08 0.05 0.11 0.12 0.10 0.13 - 20 [ 0.05 .. 0.27]
2029-> ILE A 44 HG2* - PHE A 73 HB3 [ 0.00 6.50] 0.09 0.13 0.11 0.14 0.13 0.17 0.18 0.14 0.14 0.12 0.12 0.14 0.14 0.11 0.12 0.08 0.13 0.16 0.11 0.12 - 20 [ 0.08 .. 0.18]
2031-> PHE A 73 HB3 - VAL A 75 HG2* [ 0.00 6.50] 0.22 0.14 0.12 0.11 0.15 0.17 0.12 0.12 0.07 0.16 0.18 0.16 0.14 0.14 0.24 0.14 0.16 0.20 0.19 0.08 - 20 [ 0.07 .. 0.24]
2039-> LEU A 5 HD1* - LEU A 81 HD1* [ 0.00 3.94] 0.00 0.01 0.08 0.02 0.05 0.00 0.00 0.00 0.08 0.11 0.03 0.05 0.00 0.00 0.21 0.00 0.00 0.06 0.00 0.00 - 11 [ 0.00 .. 0.21]
2066-> LYS A 15 HA - GLY A 17 HN [ 0.00 4.42] 0.13 0.41 0.00 0.00 0.40 0.03 0.16 0.00 0.00 0.01 0.00 0.00 0.00 0.07 0.11 0.08 0.17 0.02 0.00 0.00 - 11 [ 0.01 .. 0.41]
2073-> LYS A 41 HA - ASP A 42 HN [ 0.00 3.07] 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.13 0.00 - 3 [ 0.12 .. 0.40]
2107-> ASN A 80 HA - LEU A 81 HG [ 0.00 4.10] 0.01 0.00 0.03 0.00 0.03 0.04 0.02 0.02 0.05 0.10 0.01 0.03 0.00 0.04 0.05 0.00 0.00 0.00 0.01 0.01 - 16 [ 0.00 .. 0.10]
2112-> HIS A 83 HA - HIS A 83 HD2 [ 0.00 3.77] 0.24 0.15 0.22 0.35 0.20 0.00 0.09 0.13 0.24 0.12 0.11 0.06 0.37 0.15 0.44 0.00 0.05 0.10 0.34 0.13 - 18 [ 0.05 .. 0.44]
2136-> PHE A 4 HZ - VAL A 53 HG1* [ 0.00 4.43] 0.11 0.18 0.07 0.04 0.07 0.05 0.16 0.11 0.06 0.02 0.09 0.04 0.10 0.06 0.05 0.11 0.08 0.12 0.13 0.09 - 20 [ 0.02 .. 0.18]
2182-> ILE A 22 HD1* - PHE A 45 HE* [ 0.00 3.71] 0.10 0.02 0.00 0.00 0.05 0.00 0.08 0.05 0.01 0.02 0.04 0.05 0.04 0.10 0.08 0.03 0.09 0.11 0.05 0.05 - 17 [ 0.01 .. 0.11]
2214-> ALA A 6 HN - PHE A 52 HD* [ 0.00 4.73] 0.07 0.05 0.05 0.03 0.02 0.00 0.06 0.07 0.04 0.07 0.03 0.06 0.06 0.01 0.09 0.00 0.04 0.11 0.05 0.01 - 18 [ 0.01 .. 0.11]
2219-> PHE A 4 HB* - PHE A 52 HE* [ 0.00 4.67] 0.10 0.08 0.08 0.04 0.08 0.02 0.09 0.09 0.07 0.06 0.06 0.04 0.04 0.08 0.05 0.10 0.06 0.11 0.13 0.06 - 20 [ 0.02 .. 0.13]
2225-> PHE A 29 HE* - LYS A 65 HE* [ 0.00 3.67] 0.00 0.00 0.00 0.00 0.37 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.55 0.31 0.24 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.24 .. 0.55]
2238-> GLU A 13 HB3 - PHE A 73 HZ [ 0.00 3.63] 0.09 0.13 0.31 0.14 0.11 0.24 0.17 0.12 0.10 0.13 0.13 0.14 0.13 0.24 0.29 0.34 0.17 0.41 0.30 0.11 - 20 [ 0.09 .. 0.41]
2240-> GLU A 13 HN - PHE A 73 HZ [ 0.00 4.09] 0.09 0.03 0.11 0.00 0.02 0.01 0.00 0.03 0.04 0.06 0.00 0.01 0.01 0.13 0.03 0.09 0.05 0.03 0.06 0.01 - 17 [ 0.01 .. 0.13]
2242-> PHE A 4 HE* - VAL A 53 HG1* [ 0.00 4.22] 0.10 0.17 0.11 0.11 0.12 0.09 0.13 0.10 0.09 0.07 0.11 0.08 0.10 0.09 0.10 0.14 0.10 0.16 0.13 0.11 - 20 [ 0.07 .. 0.17]
2245-> LEU A 5 HD2* - HIS A 83 HD2 [ 0.00 4.23] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.17 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.16 .. 0.26]
2248-> LEU A 5 HG - HIS A 83 HD2 [ 0.00 5.52] 0.00 0.00 0.00 0.00 0.21 0.28 0.00 0.00 0.22 0.01 0.00 0.00 0.03 0.00 0.18 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.01 .. 0.28]
2256-> LEU A 81 HD1* - HIS A 83 HE1 [ 0.00 4.79] 0.81 0.78 0.79 0.93 0.83 0.51 0.73 0.79 0.88 0.80 0.76 0.70 1.05 0.81 0.88 0.53 0.76 0.78 0.84 0.81 - 20 [ 0.51 .. 1.05]
2317-> LYS A 15 HG* - ASN A 16 HB* [ 0.00 4.88] 0.83 0.39 0.00 0.15 0.30 0.11 0.11 0.00 0.00 0.07 0.00 0.19 0.00 0.30 0.16 0.37 0.89 0.35 0.40 0.00 - 14 [ 0.07 .. 0.89]
2318-> LYS A 15 HG* - ASN A 16 HD2* [ 0.00 4.81] 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.08 0.23 0.11 0.00 0.00 - 5 [ 0.08 .. 0.23]
2321-> LYS A 15 HD* - ASN A 16 HD2* [ 0.00 4.69] 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.04 0.17 0.00 0.03 0.00 0.00 - 5 [ 0.03 .. 0.17]
2349-> ASN A 20 HB* - GLN A 21 HE21 [ 0.00 5.32] 0.06 0.10 0.03 0.04 0.08 0.01 0.07 0.09 0.10 0.05 0.09 0.05 0.10 0.07 0.08 0.08 0.05 0.05 0.07 0.06 - 20 [ 0.01 .. 0.10]
2372-> VAL A 25 HG2* - LYS A 28 HG* [ 0.00 4.12] 0.27 0.09 0.11 0.04 0.00 0.10 0.09 0.08 0.13 0.04 0.16 0.06 0.14 0.10 0.12 0.09 0.10 0.00 0.12 0.10 - 18 [ 0.04 .. 0.27]
2377-> ILE A 26 HG1* - SER A 27 HG [ 0.00 6.27] 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.02 0.04 0.00 0.00 0.01 - 6 [ 0.01 .. 0.36]
2383-> SER A 27 HG - LYS A 28 HD* [ 0.00 5.59] 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.09 0.00 0.00 0.00 - 3 [ 0.09 .. 0.32]
2405-> THR A 31 HG2* - LYS A 58 HE* [ 0.00 3.96] 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.04 0.00 - 4 [ 0.04 .. 0.16]
2419-> ARG A 34 HG* - PHE A 52 HD* [ 0.00 3.87] 0.09 0.14 0.00 0.00 0.00 0.00 0.29 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.14 0.12 0.00 - 7 [ 0.09 .. 0.29]
2432-> VAL A 37 HG1* - ASN A 39 HD2* [ 0.00 3.54] 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 - 2 [ 0.14 .. 0.17]
2434-> VAL A 37 HG1* - ASN A 48 HD2* [ 0.00 4.78] 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.10 0.11 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 - 7 [ 0.00 .. 0.11]
2443-> ASN A 39 HD2* - LYS A 41 HB* [ 0.00 5.39] 0.00 0.09 0.08 0.00 0.00 0.09 0.12 0.09 0.05 0.04 0.06 0.06 0.07 0.07 0.13 0.07 0.09 0.07 0.00 0.06 - 16 [ 0.04 .. 0.13]
2444-> ASN A 39 HD2* - LYS A 41 HD* [ 0.00 4.62] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 - 1 [ 0.26 .. 0.26]
2453-> ASP A 42 HB* - ILE A 44 HG12 [ 0.00 5.11] 0.08 0.04 0.02 0.05 0.00 0.04 0.02 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.04 0.13 0.00 0.00 0.11 0.00 - 11 [ 0.00 .. 0.13]
2458-> THR A 46 HG2* - ASN A 48 HD2* [ 0.00 4.99] 0.00 0.00 0.02 0.00 0.00 0.00 0.05 0.00 0.00 0.07 0.05 0.01 0.00 0.09 0.00 0.14 0.07 0.00 0.00 0.12 - 9 [ 0.01 .. 0.14]
2463-> ASN A 48 HD2* - MET A 50 HE* [ 0.00 6.27] 0.14 0.13 0.11 0.10 0.12 0.05 0.00 0.01 0.09 0.01 0.00 0.00 0.06 0.00 0.11 0.00 0.00 0.07 0.11 0.05 - 14 [ 0.01 .. 0.14]
2481-> LYS A 54 HG* - ASN A 55 HD2* [ 0.00 4.14] 0.00 0.00 0.11 0.10 0.12 0.00 0.00 0.12 0.00 0.15 0.00 0.10 0.13 0.12 0.13 0.11 0.00 0.10 0.13 0.11 - 13 [ 0.10 .. 0.15]
2513-> LEU A 62 HN - LYS A 65 HD* [ 0.00 5.66] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 - 1 [ 0.52 .. 0.52]
2515-> LEU A 62 HD1* - LYS A 65 HD* [ 0.00 5.37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 - 1 [ 0.43 .. 0.43]
2526-> LYS A 65 HA - LYS A 68 HD* [ 0.00 5.36] 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.02 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.02 .. 0.12]
-------------------------------------------
Number of Violations greater than 0.10 36 39 31 32 31 30 41 29 25 32 32 29 38 30 39 32 32 36 44 34
-------------------------------------------
---- Summary Of Residual Distance Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
0.1 - 0.2 ang: 21 26 21 19 16 21 25 17 13 20 23 20 24 13 24 18 21 21 27 20 20.50
0.2 - 0.5 ang: 13 11 8 9 13 7 13 11 11 9 7 7 10 15 12 13 9 12 14 11 10.75
> 0.5 ang: 2 2 2 4 2 2 3 1 1 3 2 2 4 2 3 1 2 3 3 3 2.35
Total : 131 109 109 112 112 100 115 105 112 116 105 113 113 130 110 109 109 112 126 113 113.05
Minimum Violation : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Maximum Violation : 0.835 0.778 0.793 0.925 1.054 0.958 0.728 0.793 0.882 0.995 1.090 0.782 1.052 0.809 0.878 0.534 0.893 0.783 0.843 0.810 1.090
Max Intra Viol : 0.243 0.152 0.218 0.352 0.196 0.172 0.132 0.133 0.236 0.120 0.106 0.055 0.370 0.147 0.438 0.053 0.064 0.247 0.342 0.135 0.438
Max Seque Viol : 0.835 0.529 0.546 0.595 0.417 0.275 0.629 0.387 0.344 0.462 0.456 0.295 0.449 0.488 0.717 0.368 0.893 0.353 0.652 0.392 0.893
Max Medium Viol : 0.808 0.778 0.793 0.925 0.830 0.510 0.728 0.793 0.882 0.799 0.757 0.696 1.052 0.809 0.878 0.534 0.762 0.783 0.843 0.810 1.052
Max Long Viol : 0.390 0.356 0.366 0.420 1.054 0.958 0.692 0.428 0.367 0.995 1.090 0.782 0.954 0.776 0.575 0.384 0.484 0.599 0.774 0.577 1.090
Average Violation : 0.005 0.004 0.004 0.004 0.004 0.004 0.005 0.004 0.004 0.004 0.004 0.004 0.005 0.005 0.005 0.004 0.004 0.004 0.005 0.004 0.00429
Avge Intra Viol : 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.000 0.001 0.000 0.000 0.000 0.001 0.000 0.001 0.000 0.000 0.001 0.002 0.001 0.00075
Avge Seque Viol : 0.006 0.007 0.005 0.006 0.006 0.005 0.006 0.005 0.005 0.006 0.005 0.005 0.006 0.005 0.006 0.005 0.005 0.005 0.007 0.007 0.00569
Avge Mediu Viol : 0.006 0.005 0.003 0.006 0.005 0.003 0.005 0.004 0.003 0.004 0.004 0.004 0.004 0.006 0.006 0.005 0.005 0.005 0.005 0.004 0.00465
Avge Long Viol : 0.005 0.004 0.004 0.004 0.005 0.004 0.006 0.005 0.004 0.005 0.005 0.004 0.006 0.006 0.004 0.005 0.005 0.006 0.006 0.004 0.00482
RMS Violation : 0.035 0.032 0.029 0.036 0.039 0.031 0.037 0.030 0.030 0.036 0.035 0.031 0.041 0.035 0.036 0.028 0.034 0.035 0.039 0.035 0.03428
RMS Intra : 0.012 0.009 0.011 0.017 0.010 0.009 0.009 0.007 0.012 0.007 0.006 0.004 0.018 0.007 0.021 0.003 0.004 0.015 0.019 0.007 0.01155
RMS Sequential : 0.042 0.044 0.042 0.052 0.046 0.033 0.042 0.040 0.043 0.043 0.041 0.037 0.052 0.039 0.044 0.032 0.039 0.042 0.048 0.052 0.04300
RMS Medium range : 0.048 0.037 0.029 0.040 0.032 0.023 0.037 0.027 0.025 0.031 0.029 0.025 0.030 0.036 0.042 0.029 0.046 0.031 0.040 0.030 0.03407
RMS Long range : 0.028 0.026 0.025 0.026 0.044 0.039 0.042 0.029 0.027 0.042 0.041 0.036 0.044 0.039 0.031 0.031 0.031 0.039 0.039 0.031 0.03510
Final --global-- Summary for 20 models, 2560 NOEs/model, 51200 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 219.733
Summ sq. viol : 60.183
Maximum viol : 1.090
Average viol : 0.00429
RMSD viol : 0.03428
Std. Dev. viol : 0.03402
RMS Intra : 0.01155
RMS Seque : 0.04300
RMS Medi : 0.03407
RMS Long : 0.03510
table of dihedral angle constraints violations
104-> [ARG A 67] PSI -53.6 -8.8 1.2 1.4 2.2 0.0 0.0 0.0 0.0 0.0 2.4 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.7 0.9 0.0 0.0 - 8 [ 0.0 .. 2.4]
112-> [VAL A 75] PSI 105.5 157.5 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.0]
---- ACOSummary Of Residual ACO Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
1 - 10. degrees : 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0.25
> 10. degrees : 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00
Total : 1 1 1 0 1 0 0 0 1 0 1 0 0 0 0 1 1 1 0 0 0.45
Minimum Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00
Maximum Violation : 1.2 1.4 2.2 0.0 2.0 0.0 0.0 0.0 2.4 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.7 0.9 0.0 0.0 2.36
Max PHI Viol : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00
Max PSI Viol : 1.2 1.4 2.2 0.0 2.0 0.0 0.0 0.0 2.4 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.7 0.9 0.0 0.0 2.36
Average Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.005
Avge PHI Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Avge PSI Viol : 0.145 0.154 0.197 0.000 0.188 0.000 0.000 0.000 0.202 0.000 0.038 0.000 0.000 0.000 0.000 0.016 0.111 0.123 0.000 0.000 0.097
RMS Violation : 0.113 0.127 0.208 0.000 0.190 0.000 0.000 0.000 0.219 0.000 0.008 0.000 0.000 0.000 0.000 0.001 0.067 0.081 0.000 0.000 0.092
RMS PHI Viol : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
RMS PSI Viol : 0.159 0.180 0.294 0.000 0.268 0.000 0.000 0.000 0.310 0.000 0.011 0.000 0.000 0.000 0.000 0.002 0.094 0.115 0.000 0.000 0.129
Final --global-- Summary for 20 models, 116 ACOs/model, 2320 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 10.92
Summ. Sq. Viol. : 19.43
Max. Viol. : 2.364
Avg. Viol. : 0.00471
RMS Viol. : 0.09151
Std. Dev. Viol. : 0.09139
JPEG image for inter-residue distance constraints per residue plot
S(phi)|S(psi) V/S Residue number
Text output from PDBStat of phi psi order
# CHAIN .GT. SUM.GT.
# RES ID DIH S(phi) S(psi) S(chi1) S(chi2) S(chi3) S(chi4) S(chi5) 0.90 1.6
# -----------------------------------------------------------------------------------
MET M 1 0.553 0.650 0.362 0.318
THR M 2 0.780 0.419 0.398
ASP M 3 0.800 0.969 0.550 0.924
PHE M 4 0.990 0.999 1.000 1.000 4 4
LEU M 5 1.000 1.000 0.999 1.000 5 5
ALA M 6 1.000 0.999 6 6
GLY M 7 0.999 0.999 7 7
ILE M 8 1.000 1.000 1.000 1.000 8 8
ARG M 9 0.999 1.000 0.998 0.939 0.851 0.988 1.000 9 9
ILE M 10 1.000 0.999 1.000 1.000 10 10
VAL M 11 1.000 0.999 0.999 11 11
GLY M 12 0.998 0.997 12 12
GLU M 13 0.999 0.999 0.999 0.998 0.674 13 13
ASP M 14 0.996 0.988 1.000 0.997 14 14
LYS M 15 0.914 0.980 0.535 0.673 0.293 0.669 15 15
ASN M 16 0.668 0.720 0.568 0.503
GLY M 17 0.417 0.948
MET M 18 1.000 0.998 0.998 0.759 0.668 18 18
THR M 19 1.000 1.000 0.999 19 19
ASN M 20 1.000 1.000 0.883 0.730 20 20
GLN M 21 1.000 1.000 0.998 0.999 0.942 21 21
ILE M 22 1.000 0.999 1.000 0.999 22 22
THR M 23 0.999 1.000 0.999 23 23
GLY M 24 0.999 1.000 24 24
VAL M 25 1.000 1.000 1.000 25 25
ILE M 26 1.000 1.000 1.000 1.000 26 26
SER M 27 0.999 0.999 0.999 27 27
LYS M 28 0.995 0.994 0.833 0.999 0.934 1.000 28 28
PHE M 29 0.996 0.796 0.996 0.998
ASP M 30 0.805 0.927 0.672 0.972 30
THR M 31 0.919 0.987 0.997 31 31
ASN M 32 0.983 0.996 0.734 0.648 32 32
ILE M 33 0.997 0.997 1.000 0.999 33 33
ARG M 34 0.994 0.999 0.570 0.441 0.661 0.680 1.000 34 34
THR M 35 0.998 0.999 0.996 35 35
ILE M 36 0.997 0.999 0.999 1.000 36 36
VAL M 37 0.999 0.998 1.000 37 37
LEU M 38 0.998 0.999 0.995 0.999 38 38
ASN M 39 0.998 0.995 0.977 0.800 39 39
ALA M 40 0.993 0.997 40 40
LYS M 41 0.973 0.845 0.901 0.803 0.834 0.363 41
ASP M 42 0.739 0.933 0.767 0.919
GLY M 43 0.984 0.997 43 43
ILE M 44 0.994 0.998 0.997 0.998 44 44
PHE M 45 0.998 1.000 1.000 0.400 45 45
THR M 46 0.999 1.000 0.999 46 46
CYS M 47 0.998 0.999 1.000 47 47
ASN M 48 0.997 0.993 0.825 0.862 48 48
LEU M 49 0.997 0.998 1.000 1.000 49 49
MET M 50 0.997 1.000 0.999 1.000 0.999 50 50
ILE M 51 1.000 0.999 1.000 0.999 51 51
PHE M 52 0.998 0.999 1.000 0.998 52 52
VAL M 53 0.998 0.999 0.999 53 53
LYS M 54 0.999 0.996 0.451 0.999 0.998 0.999 54 54
ASN M 55 0.982 0.991 0.657 0.562 55 55
THR M 56 0.996 0.999 1.000 56 56
ASP M 57 1.000 1.000 1.000 1.000 57 57
LYS M 58 1.000 1.000 0.999 1.000 0.941 0.846 58 58
LEU M 59 1.000 1.000 0.999 1.000 59 59
THR M 60 1.000 1.000 1.000 60 60
THR M 61 1.000 1.000 1.000 61 61
LEU M 62 1.000 0.999 1.000 0.997 62 62
MET M 63 1.000 0.999 0.999 0.991 0.810 63 63
ASP M 64 1.000 1.000 0.803 0.875 64 64
LYS M 65 1.000 1.000 0.998 0.998 0.737 0.637 65 65
LEU M 66 1.000 1.000 1.000 1.000 66 66
ARG M 67 1.000 0.998 1.000 1.000 1.000 0.998 1.000 67 67
LYS M 68 1.000 0.999 1.000 1.000 1.000 1.000 68 68
VAL M 69 0.998 0.999 1.000 69 69
GLN M 70 0.997 0.999 1.000 1.000 0.999 70 70
GLY M 71 0.991 0.994 71 71
VAL M 72 0.999 0.987 1.000 72 72
PHE M 73 0.979 0.993 0.999 0.300 73 73
THR M 74 0.997 0.999 0.998 74 74
VAL M 75 1.000 0.999 1.000 75 75
GLU M 76 1.000 0.999 1.000 1.000 1.000 76 76
ARG M 77 1.000 0.999 0.999 1.000 1.000 1.000 1.000 77 77
LEU M 78 0.988 0.984 0.997 1.000 78 78
SER M 79 0.983 0.974 0.697 79 79
ASN M 80 0.995 0.996 1.000 0.999 80 80
LEU M 81 0.998 0.996 0.999 0.999 81 81
GLU M 82 0.964 0.980 0.999 0.999 0.816 82 82
HIS M 83 0.960 0.590 0.999 0.994
HIS M 84 0.577 0.640 0.528 0.545
HIS M 85 0.807 0.350 0.313 0.488
HIS M 86 0.587 0.659 0.544 0.427
HIS M 87 0.803 0.452 0.611 0.664
HIS M 88 0.942 0.564 0.791 0.452
MET M 99 0.417 0.553 0.650 0.362 0.318
THR M 100 0.780 0.418 0.398
ASP M 101 0.800 0.969 0.550 0.924
PHE M 102 0.990 0.999 1.000 1.000 102 102
LEU M 103 1.000 1.000 0.999 1.000 103 103
ALA M 104 1.000 0.999 104 104
GLY M 105 0.999 0.999 105 105
ILE M 106 1.000 1.000 1.000 1.000 106 106
ARG M 107 0.999 1.000 0.998 0.939 0.851 0.988 1.000 107 107
ILE M 108 1.000 0.999 1.000 1.000 108 108
VAL M 109 1.000 0.999 0.999 109 109
GLY M 110 0.998 0.997 110 110
GLU M 111 0.999 0.999 0.999 0.998 0.674 111 111
ASP M 112 0.996 0.988 1.000 0.997 112 112
LYS M 113 0.914 0.980 0.535 0.673 0.293 0.669 113 113
ASN M 114 0.668 0.720 0.568 0.504
GLY M 115 0.417 0.948
MET M 116 1.000 0.998 0.998 0.759 0.668 116 116
THR M 117 1.000 1.000 0.999 117 117
ASN M 118 1.000 1.000 0.883 0.730 118 118
GLN M 119 1.000 1.000 0.998 0.999 0.942 119 119
ILE M 120 1.000 0.999 1.000 0.999 120 120
THR M 121 0.999 1.000 0.999 121 121
GLY M 122 0.999 1.000 122 122
VAL M 123 1.000 1.000 1.000 123 123
ILE M 124 1.000 1.000 1.000 1.000 124 124
SER M 125 0.999 0.999 0.999 125 125
LYS M 126 0.995 0.994 0.833 0.999 0.934 1.000 126 126
PHE M 127 0.996 0.796 0.996 0.998
ASP M 128 0.805 0.927 0.672 0.972 128
THR M 129 0.919 0.987 0.997 129 129
ASN M 130 0.983 0.996 0.734 0.648 130 130
ILE M 131 0.997 0.997 1.000 0.999 131 131
ARG M 132 0.994 0.999 0.570 0.441 0.661 0.680 1.000 132 132
THR M 133 0.998 0.999 0.996 133 133
ILE M 134 0.997 0.999 0.999 1.000 134 134
VAL M 135 0.999 0.998 1.000 135 135
LEU M 136 0.998 0.999 0.995 0.999 136 136
ASN M 137 0.998 0.995 0.977 0.800 137 137
ALA M 138 0.993 0.997 138 138
LYS M 139 0.973 0.845 0.901 0.803 0.834 0.363 139
ASP M 140 0.739 0.933 0.767 0.919
GLY M 141 0.984 0.997 141 141
ILE M 142 0.994 0.998 0.997 0.998 142 142
PHE M 143 0.998 1.000 1.000 0.400 143 143
THR M 144 0.999 1.000 0.999 144 144
CYS M 145 0.998 0.999 1.000 145 145
ASN M 146 0.997 0.993 0.825 0.862 146 146
LEU M 147 0.997 0.998 1.000 1.000 147 147
MET M 148 0.997 1.000 0.999 1.000 0.999 148 148
ILE M 149 0.999 0.999 1.000 0.999 149 149
PHE M 150 0.998 0.999 1.000 0.998 150 150
VAL M 151 0.998 0.999 0.999 151 151
LYS M 152 0.999 0.996 0.451 0.999 0.998 0.999 152 152
ASN M 153 0.982 0.991 0.657 0.562 153 153
THR M 154 0.996 0.999 1.000 154 154
ASP M 155 1.000 1.000 1.000 1.000 155 155
LYS M 156 1.000 1.000 0.999 1.000 0.941 0.846 156 156
LEU M 157 1.000 1.000 0.999 1.000 157 157
THR M 158 1.000 1.000 1.000 158 158
THR M 159 1.000 1.000 1.000 159 159
LEU M 160 1.000 0.999 1.000 0.997 160 160
MET M 161 1.000 0.999 0.999 0.991 0.810 161 161
ASP M 162 1.000 1.000 0.803 0.875 162 162
LYS M 163 1.000 1.000 0.998 0.998 0.737 0.636 163 163
LEU M 164 1.000 1.000 1.000 1.000 164 164
ARG M 165 1.000 0.998 1.000 1.000 1.000 0.998 1.000 165 165
LYS M 166 1.000 0.999 1.000 1.000 1.000 1.000 166 166
VAL M 167 0.998 0.999 1.000 167 167
GLN M 168 0.997 0.999 1.000 1.000 0.999 168 168
GLY M 169 0.991 0.994 169 169
VAL M 170 0.999 0.987 1.000 170 170
PHE M 171 0.979 0.993 0.999 0.300 171 171
THR M 172 0.997 0.999 0.998 172 172
VAL M 173 1.000 0.999 1.000 173 173
GLU M 174 1.000 0.999 1.000 1.000 1.000 174 174
ARG M 175 1.000 0.999 0.999 1.000 1.000 1.000 1.000 175 175
LEU M 176 0.988 0.984 0.997 1.000 176 176
SER M 177 0.983 0.974 0.697 177 177
ASN M 178 0.995 0.996 1.000 1.000 178 178
LEU M 179 0.998 0.996 0.999 0.999 179 179
GLU M 180 0.964 0.980 0.999 0.999 0.816 180 180
HIS M 181 0.960 0.590 0.999 0.994
HIS M 182 0.577 0.640 0.528 0.545
HIS M 183 0.807 0.350 0.313 0.488
HIS M 184 0.587 0.659 0.544 0.427
HIS M 185 0.803 0.452 0.611 0.664
HIS M 186 0.942 0.791 0.452
JPEG image of S(phi)~Residue_number Plot
JPEG image of S(psi)~Residue_number Plot
Table of Backbone and Heavy Atom RMSD
Text report of backbone and heavy atom RMSD for ordered regions
>
> Kabsch RMSD data for family `CTR148A_R3Cons_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 1 is: 0.388
> Kabsch RMSD of backbone atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 2 is: 0.435
> Kabsch RMSD of backbone atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 3 is: 0.727
> Kabsch RMSD of backbone atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 4 is: 0.410
> Kabsch RMSD of backbone atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 5 is: 0.398
> Kabsch RMSD of backbone atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 6 is: 0.459
> Kabsch RMSD of backbone atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 7 is: 0.481
> Kabsch RMSD of backbone atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 8 is: 0.479
> Kabsch RMSD of backbone atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 9 is: 0.408
> Kabsch RMSD of backbone atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 10 is: 0.388
> Kabsch RMSD of backbone atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 11 is: 0.336
> Kabsch RMSD of backbone atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 12 is: 0.353
> Kabsch RMSD of backbone atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 13 is: 0.477
> Kabsch RMSD of backbone atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 14 is: 0.378
> Kabsch RMSD of backbone atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 15 is: 0.418
> Kabsch RMSD of backbone atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 16 is: 0.301 (*)
> Kabsch RMSD of backbone atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 17 is: 0.526
> Kabsch RMSD of backbone atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 18 is: 0.337
> Kabsch RMSD of backbone atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 19 is: 0.763
> Kabsch RMSD of backbone atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 20 is: 0.556
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[4..15],[18..28],[31..40],[43..82],[102..113],[116..126],[129..138],[141..180], is: 0.451
> Range of RMSD values to reference struct. is 0.301 to 0.763
> Kabsch RMSD of heavy atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 1 is: 0.632
> Kabsch RMSD of heavy atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 2 is: 0.601
> Kabsch RMSD of heavy atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 3 is: 0.817
> Kabsch RMSD of heavy atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 4 is: 0.610
> Kabsch RMSD of heavy atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 5 is: 0.590
> Kabsch RMSD of heavy atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 6 is: 0.678
> Kabsch RMSD of heavy atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 7 is: 0.669
> Kabsch RMSD of heavy atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 8 is: 0.611
> Kabsch RMSD of heavy atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 9 is: 0.578
> Kabsch RMSD of heavy atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 10 is: 0.535
> Kabsch RMSD of heavy atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 11 is: 0.514
> Kabsch RMSD of heavy atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 12 is: 0.503 (*)
> Kabsch RMSD of heavy atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 13 is: 0.647
> Kabsch RMSD of heavy atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 14 is: 0.566
> Kabsch RMSD of heavy atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 15 is: 0.581
> Kabsch RMSD of heavy atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 16 is: 0.594
> Kabsch RMSD of heavy atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 17 is: 0.664
> Kabsch RMSD of heavy atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 18 is: 0.577
> Kabsch RMSD of heavy atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 19 is: 1.011
> Kabsch RMSD of heavy atoms in res. M[4..15],M[18..28],M[31..40],M[43..82],M[102..113],M[116..126],M[129..138],M[141..180],for model 20 is: 0.696
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[4..15],[18..28],[31..40],[43..82],[102..113],[116..126],[129..138],[141..180], is: 0.634
> Range of RMSD values to reference struct. is 0.503 to 1.011
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..186],for model 1 is: 0.925
> Kabsch RMSD of backb atoms in res. *[1..186],for model 2 is: 1.598
> Kabsch RMSD of backb atoms in res. *[1..186],for model 3 is: 1.965
> Kabsch RMSD of backb atoms in res. *[1..186],for model 4 is: 1.225
> Kabsch RMSD of backb atoms in res. *[1..186],for model 5 is: 0.755 (*)
> Kabsch RMSD of backb atoms in res. *[1..186],for model 6 is: 1.117
> Kabsch RMSD of backb atoms in res. *[1..186],for model 7 is: 1.415
> Kabsch RMSD of backb atoms in res. *[1..186],for model 8 is: 1.255
> Kabsch RMSD of backb atoms in res. *[1..186],for model 9 is: 1.140
> Kabsch RMSD of backb atoms in res. *[1..186],for model 10 is: 2.261
> Kabsch RMSD of backb atoms in res. *[1..186],for model 11 is: 1.927
> Kabsch RMSD of backb atoms in res. *[1..186],for model 12 is: 1.606
> Kabsch RMSD of backb atoms in res. *[1..186],for model 13 is: 1.732
> Kabsch RMSD of backb atoms in res. *[1..186],for model 14 is: 1.014
> Kabsch RMSD of backb atoms in res. *[1..186],for model 15 is: 2.785
> Kabsch RMSD of backb atoms in res. *[1..186],for model 16 is: 1.557
> Kabsch RMSD of backb atoms in res. *[1..186],for model 17 is: 1.424
> Kabsch RMSD of backb atoms in res. *[1..186],for model 18 is: 2.111
> Kabsch RMSD of backb atoms in res. *[1..186],for model 19 is: 1.237
> Kabsch RMSD of backb atoms in res. *[1..186],for model 20 is: 2.043
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..186], is: 1.555
> Range of RMSD values to reference struct. is 0.755 to 2.785
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..186],for model 1 is: 1.345
> Kabsch RMSD of heavy atoms in res. *[1..186],for model 2 is: 1.968
> Kabsch RMSD of heavy atoms in res. *[1..186],for model 3 is: 2.337
> Kabsch RMSD of heavy atoms in res. *[1..186],for model 4 is: 1.687
> Kabsch RMSD of heavy atoms in res. *[1..186],for model 5 is: 1.286 (*)
> Kabsch RMSD of heavy atoms in res. *[1..186],for model 6 is: 1.764
> Kabsch RMSD of heavy atoms in res. *[1..186],for model 7 is: 1.796
> Kabsch RMSD of heavy atoms in res. *[1..186],for model 8 is: 1.587
> Kabsch RMSD of heavy atoms in res. *[1..186],for model 9 is: 1.649
> Kabsch RMSD of heavy atoms in res. *[1..186],for model 10 is: 2.604
> Kabsch RMSD of heavy atoms in res. *[1..186],for model 11 is: 2.402
> Kabsch RMSD of heavy atoms in res. *[1..186],for model 12 is: 2.129
> Kabsch RMSD of heavy atoms in res. *[1..186],for model 13 is: 2.224
> Kabsch RMSD of heavy atoms in res. *[1..186],for model 14 is: 1.608
> Kabsch RMSD of heavy atoms in res. *[1..186],for model 15 is: 3.300
> Kabsch RMSD of heavy atoms in res. *[1..186],for model 16 is: 2.005
> Kabsch RMSD of heavy atoms in res. *[1..186],for model 17 is: 1.955
> Kabsch RMSD of heavy atoms in res. *[1..186],for model 18 is: 2.696
> Kabsch RMSD of heavy atoms in res. *[1..186],for model 19 is: 1.696
> Kabsch RMSD of heavy atoms in res. *[1..186],for model 20 is: 2.556
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..186], is: 2.030
> Range of RMSD values to reference struct. is 1.286 to 3.300
Summary of heavy atom and backbone RMSDs over the whole protein and ordered residues
RMSD Values
all residues ordered residues selected residues
All backbone atoms 1.6 0.5 0.4
All heavy atoms 2.0 0.6 0.6
Contact Map (constraints list and 3D Coordinates)
JPEG image of Contact Map for Constraints
JPEG image of Contact Map for Coordinates
Output from PROCHECK
Ramachandran Plot for all models
Text summary of Ramachandran Plot
+----------<<< P R O C H E C K S U M M A R Y >>>----------+
| |
| CTR148A_R3Cons_em_bcr3_020.rin 0.0 2920 residues |
| |
+| Ramachandran plot: 96.1% core 3.8% allow 0.1% gener 0.0% disall |
| |
+| All Ramachandrans: 12 labelled residues (out of2920) |
+| Chi1-chi2 plots: 30 labelled residues (out of1900) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
4 0.16
5 -0.39
6 -0.82
7 -0.87
8 0.27
9 -0.40
10 0.48
11 0.32
12 -0.27
13 -0.35
14 -0.31
15 -1.29
18 1.02
19 1.20
20 0.91
21 0.84
22 1.01
23 0.92
24 1.19
25 1.05
26 0.89
27 0.87
28 -0.20
31 -0.14
32 -0.26
33 -0.98
34 -1.28
35 0.09
36 -0.89
37 -0.28
38 -0.20
39 -1.10
40 -0.81
41 -1.11
43 0.86
44 -0.54
45 0.09
46 0.33
47 -0.12
48 -0.12
49 -0.05
50 -1.07
51 -0.71
52 -0.01
53 -0.05
54 0.22
55 -0.58
56 0.23
57 1.23
58 1.21
59 1.13
60 0.83
61 1.24
62 1.12
63 0.97
64 1.27
65 1.07
66 0.66
67 -0.29
68 -0.45
69 -0.13
70 0.37
71 -0.32
72 -0.33
73 -1.35
74 -0.21
75 -1.05
76 -0.73
77 -0.34
78 -1.51
79 -0.07
80 -0.37
81 -0.38
82 -1.80
101 -0.43
102 0.16
103 -0.39
104 -0.82
105 -0.86
106 0.27
107 -0.40
108 0.48
109 0.32
110 -0.27
111 -0.35
112 -0.31
116 1.02
117 1.20
118 0.91
119 0.84
120 1.01
121 0.92
122 1.19
123 1.05
124 0.89
125 0.87
126 -0.20
127 -0.74
128 -0.14
129 -0.14
130 -0.26
131 -0.98
132 -1.24
133 0.09
134 -0.89
135 -0.28
136 -0.20
137 -1.11
138 -0.81
139 -1.11
141 0.86
142 -0.54
143 0.09
144 0.33
145 -0.12
146 -0.12
147 -0.05
148 -1.07
149 -0.71
150 -0.02
151 -0.05
152 0.22
153 -0.58
154 0.22
155 1.23
156 1.21
157 1.13
158 0.84
159 1.24
160 1.12
161 0.97
162 1.27
163 1.08
164 0.66
165 -0.29
166 -0.45
167 -0.13
168 0.37
169 -0.32
170 -0.33
171 -1.35
172 -0.21
173 -1.05
174 -0.73
175 -0.34
#Reported_Model_Average 0.022
#Overall_Average_Reported 0.022
Procheck G-factors for all dihedral angles for each residue
JPEG image for residue all dihedral G-factors
Table of Procheck G-factors for all dihedrals for ordered residues
#alldih_gfactor
#Residue\Model average
4 -0.18
5 0.07
6 -0.82
7 -0.87
8 0.57
9 0.12
10 0.53
11 0.50
12 -0.27
13 -0.29
14 0.03
15 -0.49
18 0.16
19 0.85
20 0.28
21 -0.13
22 0.05
23 0.72
24 1.19
25 0.71
26 0.88
27 0.62
28 0.45
31 -0.45
32 -0.07
33 -0.06
34 -0.65
35 0.17
36 -0.63
37 0.19
38 -0.69
39 -1.37
40 -0.81
41 -1.79
43 0.86
44 -0.19
45 -0.50
46 -0.27
47 0.04
48 -0.05
49 0.16
50 -0.19
51 -1.47
52 -0.29
53 -0.28
54 0.54
55 -0.48
56 0.46
57 1.18
58 0.08
59 0.77
60 0.50
61 0.72
62 0.95
63 0.91
64 0.63
65 1.10
66 0.62
67 0.22
68 -0.12
69 0.25
70 0.01
71 -0.32
72 0.17
73 -2.11
74 -0.52
75 -0.31
76 0.22
77 0.18
78 -0.32
79 0.39
80 -0.15
81 0.17
82 -1.01
101 0.08
102 -0.18
103 0.07
104 -0.82
105 -0.86
106 0.57
107 0.12
108 0.53
109 0.53
110 -0.27
111 -0.29
112 0.03
116 0.16
117 0.81
118 0.27
119 -0.13
120 0.05
121 0.78
122 1.19
123 0.71
124 0.88
125 0.61
126 0.45
127 -0.89
128 0.35
129 -0.47
130 -0.07
131 -0.06
132 -0.63
133 0.20
134 -0.63
135 0.18
136 -0.69
137 -1.37
138 -0.81
139 -1.80
141 0.86
142 -0.19
143 -0.50
144 -0.27
145 0.04
146 -0.04
147 0.16
148 -0.20
149 -1.47
150 -0.29
151 -0.27
152 0.53
153 -0.48
154 0.46
155 1.18
156 0.08
157 0.77
158 0.49
159 0.74
160 0.95
161 0.91
162 0.63
163 1.11
164 0.62
165 0.22
166 -0.12
167 0.23
168 0.00
169 -0.32
170 0.16
171 -2.11
172 -0.52
173 -0.28
174 0.22
175 0.18
#Reported_Model_Average 0.022
#Overall_Average_Reported 0.022
Output from Verify3D
Verify3D Score over a window of $winsize_s residues
JPEG image for Verify3D Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
4 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 -0.84 -0.84 0.71 0.71 0.71 0.71 0.71 1.04 -0.84 -0.84
5 1.06 1.06 1.06 1.06 0.77 0.77 1.06 1.06 0.77 0.77 0.77 0.77 0.77 1.06 0.77 0.77 0.77 1.06 0.77 0.77
6 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
7 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
8 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
9 0.24 0.24 0.24 0.71 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.24 0.24 0.71 0.24 0.24 0.24 0.24 0.24
10 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
11 -0.09 -0.09 -0.09 -0.09 -0.40 -0.09 -0.09 -0.09 -0.40 -0.09 -0.09 -0.40 -0.09 -0.40 0.66 -0.40 -0.40 -0.09 -0.09 -0.09
12 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
13 0.28 0.28 0.28 -0.59 -0.59 -0.59 0.28 0.28 -0.59 -0.59 -0.59 -0.59 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 -0.59
14 0.51 0.34 0.34 0.51 0.34 0.51 0.51 0.34 0.34 0.34 0.51 0.34 0.34 0.51 0.34 0.51 0.34 0.34 0.51 0.34
15 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
18 1.00 1.00 1.00 1.00 1.00 1.00 0.23 1.00 1.00 1.00 0.23 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
19 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
20 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
21 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 -0.57 0.25
22 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
23 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
24 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
25 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
26 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
27 0.59 0.17 0.59 0.59 0.59 0.59 0.59 0.17 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.17 0.59 0.59 0.59
28 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 0.47 -0.10 -0.10 0.47 -0.10 0.47 0.47 -0.10 -0.10
31 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
32 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
33 0.81 0.93 0.93 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81
34 0.71 0.71 0.24 0.71 0.24 0.71 0.71 0.71 0.71 0.71 0.24 0.24 0.71 0.24 0.71 0.71 0.71 -0.44 0.71 0.71
35 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
36 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
37 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74
38 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77
39 0.51 -0.26 -0.26 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 -0.26
40 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49
41 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
43 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
44 -0.94 -0.94 -0.94 -0.94 -0.28 -0.94 -0.94 -0.94 -0.28 -0.94 -0.28 -0.28 -0.94 -0.28 -0.28 -0.28 -0.94 -0.28 -0.28 -0.28
45 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
46 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
47 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29
48 0.51 0.51 0.51 -0.26 -0.26 0.51 -0.26 0.51 -0.26 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 -0.26
49 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
50 1.00 1.00 0.91 1.00 1.00 0.91 1.00 0.91 1.00 1.00 1.00 1.00 0.91 1.00 0.91 1.00 0.91 1.00 0.91 1.00
51 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
52 0.71 -0.84 0.71 -0.84 0.71 0.71 0.71 -0.84 0.71 -0.84 0.71 -0.84 0.71 0.71 -0.84 0.71 -0.84 0.71 0.71 0.71
53 1.00 1.00 1.00 1.00 1.00 1.00 0.66 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
54 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
55 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 -0.26 -0.26 -0.26 0.51 0.51 0.51 0.51 0.51 0.41 0.51 0.51 0.51 -0.26
56 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
57 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
58 0.08 -0.72 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 -0.72 0.08 0.08 0.08 0.47 0.08 0.08 0.08 0.08
59 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 0.77 1.06 1.06 0.77 1.06
60 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
61 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
62 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
63 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.91 1.00 0.91 1.00 0.91 1.00 1.00 1.00 1.00
64 0.51 0.51 0.51 0.23 0.23 0.23 0.23 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.23 0.51
65 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
66 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
67 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.71 0.24 0.71 0.24 0.24 0.24 0.71
68 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10
69 -0.09 -0.09 -0.09 0.66 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
70 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03
71 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
72 0.66 0.66 0.66 0.66 1.00 1.00 1.00 0.66 0.66 1.00 1.00 1.00 1.00 0.66 1.00 0.66 1.00 1.00 1.00 0.66
73 -0.84 -0.84 -0.84 -0.84 0.71 0.71 -0.84 -0.84 0.71 -0.84 0.71 -0.84 0.71 0.71 -0.84 0.71 -0.84 -0.84 0.71 -0.84
74 0.08 0.08 0.55 0.08 0.55 0.55 0.08 0.08 0.55 0.08 0.08 0.55 0.08 0.55 0.55 0.55 0.08 0.08 0.55 0.08
75 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
76 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
77 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.44 0.71 -0.44 0.71 0.71 -0.88 -0.88 -0.88 -0.88
78 0.29 -0.68 -0.68 -0.68 0.29 0.29 -0.68 -0.68 0.29 -0.68 -0.68 -0.68 -0.68 -0.68 0.29 -0.68 -0.68 -0.68 0.29 -0.68
79 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
80 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
81 0.29 0.29 0.29 0.29 0.29 0.29 0.77 0.29 0.29 0.77 0.29 0.29 0.29 0.29 0.77 0.29 0.77 0.77 0.29 0.29
82 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04
101 0.51 0.51 0.51 0.34 0.34 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.34 0.34 0.51 0.34 0.51 0.51 0.51 0.34
102 0.71 0.71 0.71 0.71 0.71 -0.84 0.71 0.71 0.71 0.71 0.71 -0.84 0.71 -0.84 0.71 -0.84 0.71 0.71 -0.84 0.71
103 1.06 1.06 1.06 0.77 0.77 0.77 1.06 1.06 0.77 0.77 0.77 0.77 0.77 1.06 1.06 0.77 1.06 1.06 0.77 1.06
104 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
105 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
106 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
107 0.24 0.24 0.24 0.71 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.71 0.24 0.24 0.24 0.24 0.24
108 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
109 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.74 -0.40 -0.74 -0.09 -0.40 -0.09 -0.40 -0.09 -0.40 -0.09 -0.09 -0.09 -0.09
110 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
111 0.28 0.28 0.28 -0.59 -0.59 -0.59 -0.59 0.28 -0.59 -0.59 -0.59 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.59
112 0.51 0.34 0.34 0.51 0.34 0.51 0.51 0.34 0.34 0.34 0.34 0.34 0.34 0.51 0.34 0.51 0.51 0.34 0.51 0.34
113 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
116 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.23 1.00 0.23 1.00 1.00 1.00 1.00 1.00 1.00 1.00
117 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
118 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
119 0.25 0.25 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
120 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
121 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
122 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
123 -0.74 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
124 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
125 0.59 0.17 0.59 0.59 0.59 0.59 0.59 0.17 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.17 0.17 0.59 0.17
126 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 0.47 0.47 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10
127 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
128 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
129 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
130 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
131 0.93 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.93 0.81 0.81 0.81 0.81
132 0.71 0.24 0.24 0.71 0.71 0.71 0.71 0.71 0.71 0.24 0.24 0.24 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71
133 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
134 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
135 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.09 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74
136 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77
137 0.51 -0.26 -0.26 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 -0.26 0.51 -0.26
138 -0.25 0.49 0.49 -0.25 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
139 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
141 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
142 -0.94 -0.94 -0.94 -0.28 -0.28 -0.94 -0.94 -0.94 -0.28 -0.94 -0.28 -0.94 -0.28 -0.28 -0.94 -0.94 -0.94 -0.94 -0.28 -0.94
143 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
144 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
145 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29
146 0.51 -0.26 0.51 -0.26 0.51 -0.26 -0.26 0.51 -0.26 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 -0.26
147 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
148 0.91 0.91 0.91 1.00 0.91 1.00 1.00 1.00 0.91 1.00 1.00 0.91 1.00 1.00 0.91 1.00 1.00 1.00 1.00 1.00
149 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
150 -0.84 -0.84 0.71 0.71 0.71 0.71 0.71 -0.84 0.71 -0.84 0.71 -0.84 0.71 0.71 -0.84 0.71 -0.84 0.71 0.71 0.71
151 1.00 1.00 1.00 1.00 1.00 1.00 0.66 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
152 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
153 0.51 0.51 0.51 0.41 0.51 0.51 -0.26 -0.26 -0.26 -0.26 0.51 0.51 0.51 0.51 0.51 0.41 0.51 0.51 -0.26 -0.26
154 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
155 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
156 0.08 -0.72 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 -0.72 0.47 0.08 0.08 0.47 0.08 0.08 0.08 0.08
157 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 0.77 1.06
158 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
159 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
160 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
161 1.00 1.00 1.00 1.00 1.00 0.91 1.00 1.00 1.00 1.00 1.00 1.00 0.91 1.00 1.00 1.00 1.00 1.00 1.00 1.00
162 0.51 0.51 0.51 0.23 0.23 0.23 0.23 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.51 0.51 0.51 0.23 0.51 0.51
163 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.72
164 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
165 0.24 0.24 0.24 0.24 0.24 0.71 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.71 0.24 0.71 0.24 0.24 0.71 0.24
166 -0.10 -0.10 -0.10 0.47 -0.10 0.47 -0.10 -0.10 0.47 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 -0.10
167 -0.09 -0.09 -0.09 -0.40 -0.09 -0.09 -0.09 -0.09 -0.74 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
168 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03
169 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
170 0.66 0.66 1.00 0.66 1.00 1.00 1.00 0.66 0.66 1.00 0.66 1.00 0.66 0.66 1.00 0.66 0.66 1.00 0.66 0.66
171 -0.84 -0.84 -0.84 0.71 -0.84 0.71 -0.84 -0.84 0.71 -0.84 0.71 -0.84 0.71 0.71 -0.84 -0.84 -0.84 -0.84 0.71 -0.84
172 0.08 0.08 0.08 0.55 0.55 0.55 0.08 0.08 0.08 0.08 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.08 0.55 0.08
173 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
174 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
175 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.44 0.71 -0.44 0.71 0.71 -0.44 -0.88 -0.88 -0.88
#Reported_Model_Average 0.493 0.443 0.492 0.482 0.513 0.519 0.489 0.448 0.515 0.458 0.490 0.459 0.553 0.540 0.543 0.543 0.475 0.497 0.517 0.444
#Overall_Average_Reported 0.496
Output from ProsaII
ProsaII Score over a window of $winsize_s residues
JPEG image for ProsaII Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
4 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 -0.84 -0.84 0.71 0.71 0.71 0.71 0.71 1.04 -0.84 -0.84
5 1.06 1.06 1.06 1.06 0.77 0.77 1.06 1.06 0.77 0.77 0.77 0.77 0.77 1.06 0.77 0.77 0.77 1.06 0.77 0.77
6 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
7 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
8 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
9 0.24 0.24 0.24 0.71 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.24 0.24 0.71 0.24 0.24 0.24 0.24 0.24
10 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
11 -0.09 -0.09 -0.09 -0.09 -0.40 -0.09 -0.09 -0.09 -0.40 -0.09 -0.09 -0.40 -0.09 -0.40 0.66 -0.40 -0.40 -0.09 -0.09 -0.09
12 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
13 0.28 0.28 0.28 -0.59 -0.59 -0.59 0.28 0.28 -0.59 -0.59 -0.59 -0.59 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 -0.59
14 0.51 0.34 0.34 0.51 0.34 0.51 0.51 0.34 0.34 0.34 0.51 0.34 0.34 0.51 0.34 0.51 0.34 0.34 0.51 0.34
15 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
18 1.00 1.00 1.00 1.00 1.00 1.00 0.23 1.00 1.00 1.00 0.23 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
19 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
20 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
21 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 -0.57 0.25
22 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
23 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
24 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
25 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
26 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
27 0.59 0.17 0.59 0.59 0.59 0.59 0.59 0.17 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.17 0.59 0.59 0.59
28 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 0.47 -0.10 -0.10 0.47 -0.10 0.47 0.47 -0.10 -0.10
31 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
32 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
33 0.81 0.93 0.93 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81
34 0.71 0.71 0.24 0.71 0.24 0.71 0.71 0.71 0.71 0.71 0.24 0.24 0.71 0.24 0.71 0.71 0.71 -0.44 0.71 0.71
35 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
36 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
37 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74
38 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77
39 0.51 -0.26 -0.26 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 -0.26
40 0.49 0.49 0.49 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 -0.25 0.49 0.49 0.49
41 -0.10 0.47 0.47 0.47 0.47 0.47 0.47 0.08 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
43 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
44 -0.94 -0.94 -0.94 -0.94 -0.28 -0.94 -0.94 -0.94 -0.28 -0.94 -0.28 -0.28 -0.94 -0.28 -0.28 -0.28 -0.94 -0.28 -0.28 -0.28
45 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
46 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
47 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29
48 0.51 0.51 0.51 -0.26 -0.26 0.51 -0.26 0.51 -0.26 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 -0.26
49 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
50 1.00 1.00 0.91 1.00 1.00 0.91 1.00 0.91 1.00 1.00 1.00 1.00 0.91 1.00 0.91 1.00 0.91 1.00 0.91 1.00
51 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
52 0.71 -0.84 0.71 -0.84 0.71 0.71 0.71 -0.84 0.71 -0.84 0.71 -0.84 0.71 0.71 -0.84 0.71 -0.84 0.71 0.71 0.71
53 1.00 1.00 1.00 1.00 1.00 1.00 0.66 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
54 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
55 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 -0.26 -0.26 -0.26 0.51 0.51 0.51 0.51 0.51 0.41 0.51 0.51 0.51 -0.26
56 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
57 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
58 0.08 -0.72 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 -0.72 0.08 0.08 0.08 0.47 0.08 0.08 0.08 0.08
59 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 0.77 1.06 1.06 0.77 1.06
60 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
61 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
62 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
63 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.91 1.00 0.91 1.00 0.91 1.00 1.00 1.00 1.00
64 0.51 0.51 0.51 0.23 0.23 0.23 0.23 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.23 0.51
65 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
66 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
67 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.71 0.24 0.71 0.24 0.24 0.24 0.71
68 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10
69 -0.09 -0.09 -0.09 0.66 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
70 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03
71 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
72 0.66 0.66 0.66 0.66 1.00 1.00 1.00 0.66 0.66 1.00 1.00 1.00 1.00 0.66 1.00 0.66 1.00 1.00 1.00 0.66
73 -0.84 -0.84 -0.84 -0.84 0.71 0.71 -0.84 -0.84 0.71 -0.84 0.71 -0.84 0.71 0.71 -0.84 0.71 -0.84 -0.84 0.71 -0.84
74 0.08 0.08 0.55 0.08 0.55 0.55 0.08 0.08 0.55 0.08 0.08 0.55 0.08 0.55 0.55 0.55 0.08 0.08 0.55 0.08
75 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
76 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
77 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.44 0.71 -0.44 0.71 0.71 -0.88 -0.88 -0.88 -0.88
78 0.29 -0.68 -0.68 -0.68 0.29 0.29 -0.68 -0.68 0.29 -0.68 -0.68 -0.68 -0.68 -0.68 0.29 -0.68 -0.68 -0.68 0.29 -0.68
79 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
80 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
81 0.29 0.29 0.29 0.29 0.29 0.29 0.77 0.29 0.29 0.77 0.29 0.29 0.29 0.29 0.77 0.29 0.77 0.77 0.29 0.29
82 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.04
101 0.51 0.51 0.51 0.34 0.34 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.34 0.34 0.51 0.34 0.51 0.51 0.51 0.34
102 0.71 0.71 0.71 0.71 0.71 -0.84 0.71 0.71 0.71 0.71 0.71 -0.84 0.71 -0.84 0.71 -0.84 0.71 0.71 -0.84 0.71
103 1.06 1.06 1.06 0.77 0.77 0.77 1.06 1.06 0.77 0.77 0.77 0.77 0.77 1.06 1.06 0.77 1.06 1.06 0.77 1.06
104 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
105 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
106 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
107 0.24 0.24 0.24 0.71 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.71 0.24 0.24 0.24 0.24 0.24
108 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
109 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.74 -0.40 -0.74 -0.09 -0.40 -0.09 -0.40 -0.09 -0.40 -0.09 -0.09 -0.09 -0.09
110 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
111 0.28 0.28 0.28 -0.59 -0.59 -0.59 -0.59 0.28 -0.59 -0.59 -0.59 -0.59 0.28 0.28 0.28 0.28 0.28 0.28 0.28 -0.59
112 0.51 0.34 0.34 0.51 0.34 0.51 0.51 0.34 0.34 0.34 0.34 0.34 0.34 0.51 0.34 0.51 0.51 0.34 0.51 0.34
113 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
116 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.23 1.00 0.23 1.00 1.00 1.00 1.00 1.00 1.00 1.00
117 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
118 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
119 0.25 0.25 0.25 -0.57 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
120 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
121 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
122 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
123 -0.74 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
124 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
125 0.59 0.17 0.59 0.59 0.59 0.59 0.59 0.17 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.17 0.17 0.59 0.17
126 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10 -0.10 0.47 0.47 -0.10 -0.10 -0.10 -0.10 0.47 -0.10 -0.10
127 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
128 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
129 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
130 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
131 0.93 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.93 0.81 0.81 0.81 0.81
132 0.71 0.24 0.24 0.71 0.71 0.71 0.71 0.71 0.71 0.24 0.24 0.24 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71
133 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
134 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
135 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.09 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74
136 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77 0.77
137 0.51 -0.26 -0.26 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 -0.26 0.51 -0.26
138 -0.25 0.49 0.49 -0.25 -0.25 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
139 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
141 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
142 -0.94 -0.94 -0.94 -0.28 -0.28 -0.94 -0.94 -0.94 -0.28 -0.94 -0.28 -0.94 -0.28 -0.28 -0.94 -0.94 -0.94 -0.94 -0.28 -0.94
143 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40 1.40
144 0.55 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
145 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29 1.29
146 0.51 -0.26 0.51 -0.26 0.51 -0.26 -0.26 0.51 -0.26 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 -0.26
147 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
148 0.91 0.91 0.91 1.00 0.91 1.00 1.00 1.00 0.91 1.00 1.00 0.91 1.00 1.00 0.91 1.00 1.00 1.00 1.00 1.00
149 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
150 -0.84 -0.84 0.71 0.71 0.71 0.71 0.71 -0.84 0.71 -0.84 0.71 -0.84 0.71 0.71 -0.84 0.71 -0.84 0.71 0.71 0.71
151 1.00 1.00 1.00 1.00 1.00 1.00 0.66 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
152 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
153 0.51 0.51 0.51 0.41 0.51 0.51 -0.26 -0.26 -0.26 -0.26 0.51 0.51 0.51 0.51 0.51 0.41 0.51 0.51 -0.26 -0.26
154 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
155 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
156 0.08 -0.72 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 -0.72 0.47 0.08 0.08 0.47 0.08 0.08 0.08 0.08
157 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 0.77 1.06
158 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
159 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
160 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
161 1.00 1.00 1.00 1.00 1.00 0.91 1.00 1.00 1.00 1.00 1.00 1.00 0.91 1.00 1.00 1.00 1.00 1.00 1.00 1.00
162 0.51 0.51 0.51 0.23 0.23 0.23 0.23 0.51 0.51 0.51 0.23 0.51 0.51 0.51 0.51 0.51 0.51 0.23 0.51 0.51
163 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 -0.72
164 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06
165 0.24 0.24 0.24 0.24 0.24 0.71 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.71 0.24 0.71 0.24 0.24 0.71 0.24
166 -0.10 -0.10 -0.10 0.47 -0.10 0.47 -0.10 -0.10 0.47 -0.10 0.47 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 0.47 -0.10
167 -0.09 -0.09 -0.09 -0.40 -0.09 -0.09 -0.09 -0.09 -0.74 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09 -0.09
168 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03
169 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
170 0.66 0.66 1.00 0.66 1.00 1.00 1.00 0.66 0.66 1.00 0.66 1.00 0.66 0.66 1.00 0.66 0.66 1.00 0.66 0.66
171 -0.84 -0.84 -0.84 0.71 -0.84 0.71 -0.84 -0.84 0.71 -0.84 0.71 -0.84 0.71 0.71 -0.84 -0.84 -0.84 -0.84 0.71 -0.84
172 0.08 0.08 0.08 0.55 0.55 0.55 0.08 0.08 0.08 0.08 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.08 0.55 0.08
173 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00
174 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
175 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.88 -0.44 0.71 -0.44 0.71 0.71 -0.44 -0.88 -0.88 -0.88
#Reported_Model_Average 0.493 0.443 0.492 0.482 0.513 0.519 0.489 0.448 0.515 0.458 0.490 0.459 0.553 0.540 0.543 0.543 0.475 0.497 0.517 0.444
#Overall_Average_Reported 0.496
Output from MolProbity
VdW violations from MAGE
JPEG image for MAGE VdW violation
Table of MAGE VdW violations for ordered residues across all models
#mage_clash
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
4.000 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1
5.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
6.000 1 1 0 0 0 0 1 1 0 0 0 0 1 0 0 2 0 1 1 0
7.000 0 0 0 0 1 1 0 0 1 0 1 1 0 0 0 0 1 0 0 1
8.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
9.000 0 0 0 0 0 1 0 1 0 1 0 1 0 0 1 0 0 0 1 0
10.000 2 1 0 0 1 3 1 2 1 1 1 1 1 2 1 2 1 1 0 1
11.000 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 2
12.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
13.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
14.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
15.000 2 1 0 1 1 1 1 0 1 2 0 3 1 1 3 1 2 1 0 1
18.000 3 1 1 3 0 2 1 1 1 2 0 2 2 2 1 1 4 2 0 1
19.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
20.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
21.000 0 1 0 1 1 1 1 0 0 1 1 2 1 0 0 0 1 1 0 1
22.000 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
23.000 0 1 2 0 0 0 0 2 0 1 0 0 0 0 0 1 1 0 0 0
24.000 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0
25.000 0 0 0 0 1 0 1 0 0 1 1 1 0 0 0 0 0 0 0 1
26.000 1 1 1 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1
27.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
28.000 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0
31.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
32.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
33.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 1 1 0
34.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
35.000 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 1 0
36.000 0 0 2 0 1 2 2 2 1 1 2 1 1 0 2 0 0 0 0 1
37.000 0 3 0 0 0 3 1 0 0 3 2 3 0 0 1 0 0 3 0 2
38.000 0 3 3 0 1 3 3 3 3 3 3 3 3 1 0 2 2 2 1 3
39.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
40.000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
41.000 0 0 0 0 0 0 0 0 0 1 0 0 2 0 0 0 0 0 2 0
43.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
44.000 0 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 1 0 0
45.000 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 2 1 1
46.000 0 0 0 0 0 0 0 1 0 1 0 0 0 2 0 0 0 0 0 1
47.000 1 1 0 0 1 2 1 1 1 2 1 2 1 1 0 1 1 1 0 1
48.000 0 0 1 0 0 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0
49.000 1 1 0 1 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1
50.000 0 0 0 1 0 1 0 1 1 0 0 0 1 0 0 1 2 0 0 0
51.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 1 1 0
52.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
53.000 1 1 0 1 0 0 0 1 0 0 2 0 1 1 1 0 1 0 1 1
54.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
55.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
56.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
57.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
58.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
59.000 1 1 0 0 0 0 1 1 0 0 0 0 1 0 0 2 0 1 1 0
60.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
61.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
62.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1
63.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
64.000 0 0 1 0 1 0 1 0 1 0 0 0 0 1 1 0 0 0 0 0
65.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
66.000 1 1 0 0 1 1 0 1 0 0 0 0 0 0 1 1 0 1 0 0
67.000 1 1 1 1 0 1 0 0 1 0 1 1 0 1 0 0 1 1 1 0
68.000 0 0 1 0 1 0 1 0 1 0 0 0 0 1 1 0 0 0 0 0
69.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
70.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
71.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
72.000 1 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 2 0 0 0
73.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
74.000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
75.000 1 1 1 1 1 1 0 0 1 0 1 1 0 1 1 0 1 1 1 0
76.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
77.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
78.000 0 0 0 0 1 2 0 1 1 1 1 2 0 0 1 0 1 0 1 1
79.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
80.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
81.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
82.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
101.000 1 1 0 0 0 0 0 1 0 0 1 0 1 1 1 0 0 0 1 0
102.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
103.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
104.000 1 1 0 0 0 0 1 1 0 0 0 1 1 0 0 1 0 0 1 0
105.000 0 0 0 0 1 1 0 0 1 0 1 1 0 0 0 0 1 0 0 1
106.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
107.000 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0
108.000 2 1 0 0 2 3 1 2 1 1 1 1 1 2 0 2 1 1 0 1
109.000 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 2
110.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
111.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
112.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
113.000 2 1 0 1 1 1 1 0 1 2 0 1 1 1 1 1 2 1 0 1
116.000 3 1 1 3 2 2 1 1 1 2 0 2 2 2 1 1 3 2 0 1
117.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
118.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
119.000 0 1 0 1 0 1 0 0 0 1 0 2 1 0 0 0 1 1 0 1
120.000 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
121.000 0 1 2 0 0 0 0 2 0 1 0 0 0 0 0 1 1 0 0 0
122.000 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0
123.000 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 1
124.000 1 1 1 1 0 1 0 2 1 1 1 1 1 1 1 1 1 1 1 1
125.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
126.000 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0
127.000 0 0 0 1 0 0 0 0 0 0 0 0 2 0 0 0 0 0 1 1
128.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
129.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
130.000 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
131.000 0 1 0 0 0 1 0 0 0 0 0 0 1 0 1 1 0 1 1 0
132.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
133.000 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 1 0
134.000 0 1 2 0 1 2 2 2 1 1 2 1 1 0 2 0 0 0 0 1
135.000 0 3 0 0 0 3 1 0 0 3 2 3 0 0 1 0 0 2 0 2
136.000 0 2 3 0 1 3 3 3 3 3 3 3 3 1 0 2 2 4 1 3
137.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
138.000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
139.000 0 0 0 0 0 0 0 0 0 1 0 0 2 0 0 0 0 0 2 0
141.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
142.000 0 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 1 0 0
143.000 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 2 1 1
144.000 0 0 0 0 0 0 0 1 0 1 0 0 0 2 0 0 0 2 0 1
145.000 1 1 0 0 1 2 1 1 1 2 1 2 1 1 0 1 1 0 0 1
146.000 0 0 1 0 0 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0
147.000 1 1 0 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2
148.000 0 0 0 1 0 1 0 1 1 0 0 0 1 0 0 1 2 0 0 0
149.000 0 1 0 0 0 1 0 0 0 0 0 0 1 0 1 1 0 1 1 1
150.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
151.000 1 1 0 1 0 0 0 1 0 0 1 0 1 1 1 0 0 0 1 1
152.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
153.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
154.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
155.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
156.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
157.000 1 1 0 0 0 0 1 1 0 0 0 1 1 0 0 1 0 0 1 0
158.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
159.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
160.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1
161.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
162.000 0 0 0 0 1 0 1 0 1 0 0 0 0 1 1 0 1 0 0 0
163.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
164.000 1 1 0 0 1 1 0 1 0 0 0 0 0 0 1 1 0 1 0 0
165.000 1 1 1 1 0 1 0 0 1 0 1 1 0 1 0 0 1 1 1 0
166.000 0 0 0 0 1 0 1 0 1 0 0 0 0 1 1 0 1 0 0 0
167.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
168.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
169.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
170.000 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0
171.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
172.000 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
173.000 1 1 1 1 0 1 0 0 1 0 1 1 0 1 1 0 1 1 1 0
174.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
175.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
#Reported_Model_Average 0.322 0.349 0.247 0.253 0.253 0.473 0.315 0.384 0.336 0.370 0.342 0.397 0.356 0.322 0.301 0.288 0.370 0.356 0.308 0.356
#Overall_Average_Reported 0.335
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2831:M 45 PHE HA :M 40 ALA HA : -0.569: 0
: 2831:M 138 ALA HA :M 143 PHE HA : -0.560: 0
: 2831:M 173 VAL HB :M 165 ARG HE : -0.503: 0
: 2831:M 75 VAL HB :M 67 ARG HE : -0.493: 0
: 2831:M 18 MET 1HG :M 15 LYS 1HB : -0.490: 0
: 2831:M 18 MET CG :M 15 LYS 1HB : -0.464: 0
: 2831:M 72 VAL 3HG2 :M 18 MET 1HE : -0.438: 0
: 2831:M 116 MET 1HG :M 113 LYS 1HB : -0.485: 0
: 2831:M 116 MET CG :M 113 LYS 1HB : -0.472: 0
: 2831:M 170 VAL 3HG2 :M 116 MET 1HE : -0.436: 0
: 2831:M 26 ILE 1HG2 :M 49 LEU 3HD1 : -0.483: 0
: 2831:M 74 THR OG1 :M 11 VAL HB : -0.478: 0
: 2831:M 124 ILE 1HG2 :M 147 LEU 3HD1 : -0.478: 0
: 2831:M 109 VAL HB :M 172 THR OG1 : -0.477: 0
: 2831:M 151 VAL O :M 101 ASP HA : -0.460: 0
: 2831:M 3 ASP HA :M 53 VAL O : -0.440: 0
: 2831:M 66 LEU 3HD1 :M 10 ILE 1HD1 : -0.440: 0
: 2831:M 10 ILE HB :M 47 CYS 2HB : -0.436: 0
: 2831:M 145 CYS 2HB :M 108 ILE HB : -0.439: 0
: 2831:M 108 ILE 1HD1 :M 164 LEU 3HD1 : -0.434: 0
: 2831:M 130 ASN HA :M 20 ASN OD1 : -0.435: 0
: 2831:M 32 ASN HA :M 118 ASN OD1 : -0.424: 0
: 2831:M 104 ALA 1HB :M 157 LEU 3HD1 : -0.423: 0
: 2831:M 6 ALA 1HB :M 59 LEU 3HD1 : -0.417: 0
#sum2 ::8.48 clashscore : 8.48 clashscore B<40
#summary::2831 atoms:2831 atoms B<40:318210 potential dots:19890.0 A^2:24 bumps:24 bumps B<40:922.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2831:M 115 GLY N :M 113 LYS O : -0.610: 0
: 2831:M 17 GLY N :M 15 LYS O : -0.596: 0
: 2831:M 45 PHE HA :M 40 ALA HA : -0.557: 0
: 2831:M 138 ALA HA :M 143 PHE HA : -0.554: 0
: 2831:M 121 THR 1HG2 :M 23 THR 1HG2 : -0.532: 0
: 2831:M 136 LEU C :M 136 LEU 3HD2 : -0.513: 0
: 2831:M 38 LEU C :M 38 LEU 3HD2 : -0.502: 0
: 2831:M 38 LEU 2HB :M 134 ILE 2HG2 : -0.401: 0
: 2831:M 74 THR OG1 :M 11 VAL HB : -0.491: 0
: 2831:M 173 VAL HB :M 165 ARG HE : -0.489: 0
: 2831:M 109 VAL HB :M 172 THR OG1 : -0.487: 0
: 2831:M 75 VAL HB :M 67 ARG HE : -0.482: 0
: 2831:M 108 ILE 1HD1 :M 164 LEU 3HD1 : -0.461: 0
: 2831:M 66 LEU 3HD1 :M 10 ILE 1HD1 : -0.454: 0
: 2831:M 26 ILE 1HG2 :M 49 LEU 3HD1 : -0.437: 0
: 2831:M 119 GLN 1HG :M 116 MET HA : -0.437: 0
: 2831:M 151 VAL O :M 101 ASP HA : -0.432: 0
: 2831:M 3 ASP HA :M 53 VAL O : -0.428: 0
: 2831:M 18 MET HA :M 21 GLN 1HG : -0.425: 0
: 2831:M 6 ALA 1HB :M 59 LEU 3HD1 : -0.422: 0
: 2831:M 124 ILE 1HG2 :M 147 LEU 3HD1 : -0.419: 0
: 2831:M 135 VAL 3HG1 :M 37 VAL 2HG2 : -0.413: 0
: 2831:M 47 CYS HA :M 37 VAL O : -0.411: 0
: 2831:M 37 VAL 3HG1 :M 135 VAL 2HG2 : -0.408: 0
: 2831:M 135 VAL O :M 145 CYS HA : -0.401: 0
: 2831:M 104 ALA 1HB :M 157 LEU 3HD1 : -0.408: 0
: 2831:M 131 ILE HA :M 149 ILE 2HG2 : -0.401: 0
#sum2 ::9.54 clashscore : 9.54 clashscore B<40
#summary::2831 atoms:2831 atoms B<40:318516 potential dots:19910.0 A^2:27 bumps:27 bumps B<40:936.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2831:M 38 LEU C :M 38 LEU 3HD2 : -0.634: 0
: 2831:M 134 ILE 2HG2 :M 38 LEU 2HB : -0.437: 0
: 2831:M 134 ILE HA :M 146 ASN O : -0.410: 0
: 2831:M 136 LEU 3HD2 :M 136 LEU C : -0.630: 0
: 2831:M 136 LEU 2HB :M 36 ILE 2HG2 : -0.442: 0
: 2831:M 36 ILE HA :M 48 ASN O : -0.412: 0
: 2831:M 45 PHE HA :M 40 ALA HA : -0.552: 0
: 2831:M 143 PHE HA :M 138 ALA HA : -0.546: 0
: 2831:M 172 THR OG1 :M 109 VAL HB : -0.456: 0
: 2831:M 23 THR 1HG2 :M 121 THR 1HG2 : -0.452: 0
: 2831:M 124 ILE 2HD1 :M 121 THR HA : -0.427: 0
: 2831:M 26 ILE 2HD1 :M 23 THR HA : -0.420: 0
: 2831:M 120 ILE 1HG1 :M 116 MET O : -0.447: 0
: 2831:M 74 THR OG1 :M 11 VAL HB : -0.443: 0
: 2831:M 18 MET O :M 22 ILE 1HG1 : -0.440: 0
: 2831:M 75 VAL HB :M 67 ARG HE : -0.435: 0
: 2831:M 173 VAL HB :M 165 ARG HE : -0.434: 0
: 2831:M 68 LYS 1HG :M 64 ASP O : -0.404: 0
#sum2 ::6.36 clashscore : 6.36 clashscore B<40
#summary::2831 atoms:2831 atoms B<40:318353 potential dots:19900.0 A^2:18 bumps:18 bumps B<40:990.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2831:M 74 THR OG1 :M 11 VAL HB : -0.506: 0
: 2831:M 172 THR OG1 :M 109 VAL HB : -0.498: 0
: 2831:M 45 PHE HA :M 40 ALA HA : -0.483: 0
: 2831:M 75 VAL HB :M 67 ARG HE : -0.465: 0
: 2831:M 173 VAL HB :M 165 ARG HE : -0.464: 0
: 2831:M 143 PHE HA :M 138 ALA HA : -0.460: 0
: 2831:M 50 MET 2HG :M 83 HIS CE1 : -0.451: 0
: 2831:M 181 HIS CE1 :M 148 MET 2HG : -0.448: 0
: 2831:M 31 THR 2HG2 :M 29 PHE 2HB : -0.443: 0
: 2831:M 129 THR 2HG2 :M 127 PHE 2HB : -0.428: 0
: 2831:M 21 GLN 1HG :M 18 MET HA : -0.426: 0
: 2831:M 18 MET O :M 22 ILE 1HG1 : -0.409: 0
: 2831:M 15 LYS 1HB :M 18 MET CG : -0.405: 0
: 2831:M 119 GLN 1HG :M 116 MET HA : -0.423: 0
: 2831:M 116 MET O :M 120 ILE 1HG1 : -0.414: 0
: 2831:M 116 MET CG :M 113 LYS 1HB : -0.409: 0
: 2831:M 124 ILE 1HG2 :M 147 LEU 3HD1 : -0.422: 0
: 2831:M 49 LEU 3HD1 :M 26 ILE 1HG2 : -0.414: 0
: 2831:M 102 PHE CZ :M 151 VAL CG2 : -0.402: 0
: 2831:M 53 VAL CG2 :M 4 PHE CZ : -0.400: 0
#sum2 ::7.06 clashscore : 7.06 clashscore B<40
#summary::2831 atoms:2831 atoms B<40:318341 potential dots:19900.0 A^2:20 bumps:20 bumps B<40:971.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2831:M 115 GLY N :M 113 LYS O : -0.551: 0
: 2831:M 17 GLY N :M 15 LYS O : -0.549: 0
: 2831:M 134 ILE 2HG2 :M 38 LEU 2HB : -0.524: 0
: 2831:M 136 LEU 2HB :M 36 ILE 2HG2 : -0.517: 0
: 2831:M 143 PHE HA :M 138 ALA HA : -0.500: 0
: 2831:M 45 PHE HA :M 40 ALA HA : -0.500: 0
: 2831:M 143 PHE N :M 142 ILE 2HG2 : -0.442: 0
: 2831:M 45 PHE N :M 44 ILE 2HG2 : -0.442: 0
: 2831:M 172 THR OG1 :M 109 VAL HB : -0.442: 0
: 2831:M 74 THR OG1 :M 11 VAL HB : -0.440: 0
: 2831:M 108 ILE HB :M 145 CYS 2HB : -0.419: 0
: 2831:M 164 LEU 3HD1 :M 108 ILE 1HD1 : -0.408: 0
: 2831:M 10 ILE HB :M 47 CYS 2HB : -0.415: 0
: 2831:M 166 LYS 1HG :M 162 ASP O : -0.414: 0
: 2831:M 105 GLY 2HA :M 176 LEU 1HB : -0.413: 0
: 2831:M 116 MET 2HB :M 116 MET 2HE : -0.408: 0
: 2831:M 68 LYS 1HG :M 64 ASP O : -0.407: 0
: 2831:M 78 LEU 1HB :M 7 GLY 2HA : -0.404: 0
: 2831:M 66 LEU 1HB :M 75 VAL 1HG1 : -0.404: 0
: 2831:M 21 GLN O :M 25 VAL 3HG2 : -0.403: 0
#sum2 ::7.06 clashscore : 7.06 clashscore B<40
#summary::2831 atoms:2831 atoms B<40:318643 potential dots:19920.0 A^2:20 bumps:20 bumps B<40:933.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2831:M 45 PHE HA :M 40 ALA HA : -0.568: 0
: 2831:M 138 ALA HA :M 143 PHE HA : -0.566: 0
: 2831:M 136 LEU C :M 136 LEU 3HD2 : -0.513: 0
: 2831:M 36 ILE 2HG2 :M 136 LEU 2HB : -0.494: 0
: 2831:M 48 ASN O :M 36 ILE HA : -0.405: 0
: 2831:M 38 LEU C :M 38 LEU 3HD2 : -0.509: 0
: 2831:M 38 LEU 2HB :M 134 ILE 2HG2 : -0.494: 0
: 2831:M 134 ILE HA :M 146 ASN O : -0.405: 0
: 2831:M 109 VAL HB :M 172 THR OG1 : -0.481: 0
: 2831:M 116 MET CG :M 113 LYS 1HB : -0.480: 0
: 2831:M 119 GLN 1HG :M 116 MET HA : -0.443: 0
: 2831:M 74 THR OG1 :M 11 VAL HB : -0.478: 0
: 2831:M 124 ILE 1HG2 :M 147 LEU 3HD1 : -0.477: 0
: 2831:M 26 ILE 1HG2 :M 49 LEU 3HD1 : -0.468: 0
: 2831:M 18 MET CG :M 15 LYS 1HB : -0.468: 0
: 2831:M 18 MET HA :M 21 GLN 1HG : -0.430: 0
: 2831:M 135 VAL 3HG1 :M 37 VAL 2HG2 : -0.461: 0
: 2831:M 47 CYS HA :M 37 VAL O : -0.454: 0
: 2831:M 37 VAL 3HG1 :M 135 VAL 2HG2 : -0.453: 0
: 2831:M 145 CYS HA :M 135 VAL O : -0.437: 0
: 2831:M 66 LEU 3HD1 :M 10 ILE 1HD1 : -0.424: 0
: 2831:M 72 VAL 1HG1 :M 10 ILE 3HG2 : -0.420: 0
: 2831:M 170 VAL 1HG1 :M 108 ILE 3HG2 : -0.418: 0
: 2831:M 108 ILE 1HD1 :M 164 LEU 3HD1 : -0.415: 0
: 2831:M 145 CYS 2HB :M 108 ILE HB : -0.405: 0
: 2831:M 10 ILE HB :M 47 CYS 2HB : -0.400: 0
: 2831:M 173 VAL HB :M 165 ARG CG : -0.444: 0
: 2831:M 75 VAL HB :M 67 ARG CG : -0.439: 0
: 2831:M 78 LEU 1HB :M 7 GLY 2HA : -0.434: 0
: 2831:M 78 LEU 1HD2 :M 9 ARG 1HB : -0.413: 0
: 2831:M 133 THR HB :M 148 MET 1HB : -0.420: 0
: 2831:M 105 GLY 2HA :M 176 LEU 1HB : -0.419: 0
: 2831:M 35 THR HB :M 50 MET 1HB : -0.417: 0
: 2831:M 51 ILE 2HG2 :M 33 ILE HA : -0.416: 0
: 2831:M 131 ILE HA :M 149 ILE 2HG2 : -0.412: 0
#sum2 ::12.36 clashscore : 12.36 clashscore B<40
#summary::2831 atoms:2831 atoms B<40:317856 potential dots:19870.0 A^2:35 bumps:35 bumps B<40:998.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2831:M 45 PHE HA :M 40 ALA HA : -0.563: 0
: 2831:M 138 ALA HA :M 143 PHE HA : -0.551: 0
: 2831:M 10 ILE HB :M 47 CYS 2HB : -0.532: 0
: 2831:M 145 CYS 2HB :M 108 ILE HB : -0.528: 0
: 2831:M 136 LEU C :M 136 LEU 3HD2 : -0.479: 0
: 2831:M 48 ASN 2HB :M 37 VAL HB : -0.468: 0
: 2831:M 48 ASN O :M 36 ILE HA : -0.444: 0
: 2831:M 36 ILE 2HG2 :M 136 LEU 2HB : -0.415: 0
: 2831:M 38 LEU C :M 38 LEU 3HD2 : -0.476: 0
: 2831:M 146 ASN 2HB :M 135 VAL HB : -0.466: 0
: 2831:M 146 ASN O :M 134 ILE HA : -0.453: 0
: 2831:M 38 LEU 2HB :M 134 ILE 2HG2 : -0.416: 0
: 2831:M 109 VAL HB :M 172 THR OG1 : -0.460: 0
: 2831:M 74 THR OG1 :M 11 VAL HB : -0.454: 0
: 2831:M 6 ALA 1HB :M 59 LEU 3HD1 : -0.425: 0
: 2831:M 162 ASP O :M 166 LYS 1HG : -0.419: 0
: 2831:M 104 ALA 1HB :M 157 LEU 3HD1 : -0.418: 0
: 2831:M 18 MET CG :M 15 LYS 1HB : -0.414: 0
: 2831:M 64 ASP O :M 68 LYS 1HG : -0.411: 0
: 2831:M 24 GLY O :M 28 LYS 2HG : -0.410: 0
: 2831:M 116 MET CG :M 113 LYS 1HB : -0.405: 0
: 2831:M 126 LYS 2HG :M 122 GLY O : -0.402: 0
: 2831:M 21 GLN O :M 25 VAL 3HG2 : -0.402: 0
#sum2 ::8.12 clashscore : 8.12 clashscore B<40
#summary::2831 atoms:2831 atoms B<40:318312 potential dots:19890.0 A^2:23 bumps:23 bumps B<40:1021 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2831:M 45 PHE HA :M 40 ALA HA : -0.586: 0
: 2831:M 38 LEU C :M 38 LEU 3HD2 : -0.576: 0
: 2831:M 146 ASN O :M 134 ILE HA : -0.424: 0
: 2831:M 38 LEU 2HB :M 134 ILE 2HG2 : -0.422: 0
: 2831:M 136 LEU C :M 136 LEU 3HD2 : -0.575: 0
: 2831:M 36 ILE 2HG2 :M 136 LEU 2HB : -0.443: 0
: 2831:M 48 ASN O :M 36 ILE HA : -0.414: 0
: 2831:M 138 ALA HA :M 143 PHE HA : -0.561: 0
: 2831:M 74 THR OG1 :M 11 VAL HB : -0.487: 0
: 2831:M 46 THR HB :M 11 VAL 2HG2 : -0.408: 0
: 2831:M 121 THR 1HG2 :M 23 THR 1HG2 : -0.481: 0
: 2831:M 121 THR HA :M 124 ILE 2HD1 : -0.455: 0
: 2831:M 23 THR HA :M 26 ILE 2HD1 : -0.446: 0
: 2831:M 124 ILE 3HD1 :M 147 LEU 3HD1 : -0.402: 0
: 2831:M 109 VAL HB :M 172 THR OG1 : -0.472: 0
: 2831:M 109 VAL 2HG2 :M 144 THR HB : -0.414: 0
: 2831:M 10 ILE HB :M 47 CYS 2HB : -0.463: 0
: 2831:M 66 LEU 3HD1 :M 10 ILE 1HD1 : -0.439: 0
: 2831:M 145 CYS 2HB :M 108 ILE HB : -0.458: 0
: 2831:M 108 ILE 1HD1 :M 164 LEU 3HD1 : -0.438: 0
: 2831:M 83 HIS CE1 :M 50 MET 2HG : -0.433: 0
: 2831:M 148 MET 2HG :M 181 HIS CE1 : -0.431: 0
: 2831:M 104 ALA 1HB :M 157 LEU 3HD1 : -0.420: 0
: 2831:M 18 MET O :M 22 ILE 1HG1 : -0.417: 0
: 2831:M 116 MET O :M 120 ILE 1HG1 : -0.417: 0
: 2831:M 3 ASP HA :M 53 VAL O : -0.416: 0
: 2831:M 6 ALA 1HB :M 59 LEU 3HD1 : -0.413: 0
: 2831:M 176 LEU 1HD2 :M 107 ARG 1HB : -0.411: 0
: 2831:M 151 VAL O :M 101 ASP HA : -0.403: 0
: 2831:M 78 LEU 1HD2 :M 9 ARG 1HB : -0.402: 0
#sum2 ::10.60 clashscore : 10.60 clashscore B<40
#summary::2831 atoms:2831 atoms B<40:318263 potential dots:19890.0 A^2:30 bumps:30 bumps B<40:926.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2831:M 138 ALA HA :M 143 PHE HA : -0.554: 0
: 2831:M 143 PHE N :M 142 ILE 2HG2 : -0.450: 0
: 2831:M 45 PHE HA :M 40 ALA HA : -0.546: 0
: 2831:M 45 PHE N :M 44 ILE 2HG2 : -0.450: 0
: 2831:M 38 LEU C :M 38 LEU 3HD2 : -0.503: 0
: 2831:M 38 LEU 2HB :M 134 ILE 2HG2 : -0.497: 0
: 2831:M 36 ILE 2HG2 :M 136 LEU 2HB : -0.502: 0
: 2831:M 136 LEU C :M 136 LEU 3HD2 : -0.496: 0
: 2831:M 173 VAL HB :M 165 ARG HE : -0.482: 0
: 2831:M 75 VAL HB :M 67 ARG HE : -0.477: 0
: 2831:M 10 ILE HB :M 47 CYS 2HB : -0.474: 0
: 2831:M 26 ILE 1HG2 :M 49 LEU 3HD1 : -0.472: 0
: 2831:M 124 ILE 1HG2 :M 147 LEU 3HD1 : -0.472: 0
: 2831:M 109 VAL HB :M 172 THR OG1 : -0.463: 0
: 2831:M 145 CYS 2HB :M 108 ILE HB : -0.456: 0
: 2831:M 74 THR OG1 :M 11 VAL HB : -0.451: 0
: 2831:M 105 GLY 2HA :M 176 LEU 1HB : -0.446: 0
: 2831:M 78 LEU 1HB :M 7 GLY 2HA : -0.440: 0
: 2831:M 24 GLY O :M 28 LYS 2HG : -0.420: 0
: 2831:M 122 GLY O :M 126 LYS 2HG : -0.416: 0
: 2831:M 116 MET 2HG :M 113 LYS O : -0.414: 0
: 2831:M 18 MET 2HG :M 15 LYS O : -0.406: 0
: 2831:M 64 ASP O :M 68 LYS 1HG : -0.406: 0
: 2831:M 50 MET 2HG :M 83 HIS CE1 : -0.406: 0
: 2831:M 166 LYS 1HG :M 162 ASP O : -0.401: 0
: 2831:M 181 HIS CE1 :M 148 MET 2HG : -0.400: 0
#sum2 ::9.18 clashscore : 9.18 clashscore B<40
#summary::2831 atoms:2831 atoms B<40:318699 potential dots:19920.0 A^2:26 bumps:26 bumps B<40:985.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2831:M 38 LEU 2HB :M 134 ILE 2HG2 : -0.547: 0
: 2831:M 38 LEU C :M 38 LEU 3HD2 : -0.510: 0
: 2831:M 36 ILE 2HG2 :M 136 LEU 2HB : -0.542: 0
: 2831:M 136 LEU C :M 136 LEU 3HD2 : -0.501: 0
: 2831:M 138 ALA HA :M 143 PHE HA : -0.521: 0
: 2831:M 45 PHE HA :M 40 ALA HA : -0.515: 0
: 2831:M 145 CYS 2HB :M 108 ILE HB : -0.485: 0
: 2831:M 10 ILE HB :M 47 CYS 2HB : -0.484: 0
: 2831:M 47 CYS HA :M 37 VAL O : -0.427: 0
: 2831:M 145 CYS HA :M 135 VAL O : -0.422: 0
: 2831:M 135 VAL 3HG1 :M 37 VAL 2HG2 : -0.416: 0
: 2831:M 37 VAL 3HG1 :M 135 VAL 2HG2 : -0.407: 0
: 2831:M 26 ILE 1HG2 :M 49 LEU 3HD1 : -0.483: 0
: 2831:M 116 MET 1HG :M 113 LYS 1HB : -0.476: 0
: 2831:M 116 MET CG :M 113 LYS 1HB : -0.435: 0
: 2831:M 109 VAL HB :M 172 THR OG1 : -0.474: 0
: 2831:M 109 VAL 2HG2 :M 144 THR HB : -0.408: 0
: 2831:M 74 THR OG1 :M 11 VAL HB : -0.473: 0
: 2831:M 124 ILE 1HG2 :M 147 LEU 3HD1 : -0.473: 0
: 2831:M 46 THR HB :M 11 VAL 2HG2 : -0.402: 0
: 2831:M 18 MET 1HG :M 15 LYS 1HB : -0.459: 0
: 2831:M 18 MET CG :M 15 LYS 1HB : -0.439: 0
: 2831:M 42 ASP 1HB :M 41 LYS O : -0.457: 0
: 2831:M 139 LYS O :M 140 ASP 1HB : -0.454: 0
: 2831:M 23 THR CG2 :M 121 THR CG2 : -0.433: 0
: 2831:M 123 VAL 3HG2 :M 119 GLN O : -0.422: 0
: 2831:M 21 GLN O :M 25 VAL 3HG2 : -0.422: 0
: 2831:M 78 LEU 1HD2 :M 9 ARG 1HB : -0.406: 0
#sum2 ::9.89 clashscore : 9.89 clashscore B<40
#summary::2831 atoms:2831 atoms B<40:318258 potential dots:19890.0 A^2:28 bumps:28 bumps B<40:907.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2831:M 138 ALA HA :M 143 PHE HA : -0.583: 0
: 2831:M 143 PHE N :M 142 ILE 2HG2 : -0.432: 0
: 2831:M 45 PHE HA :M 40 ALA HA : -0.579: 0
: 2831:M 45 PHE N :M 44 ILE 2HG2 : -0.426: 0
: 2831:M 38 LEU C :M 38 LEU 3HD2 : -0.554: 0
: 2831:M 38 LEU 2HB :M 134 ILE 2HG2 : -0.510: 0
: 2831:M 146 ASN O :M 134 ILE HA : -0.400: 0
: 2831:M 136 LEU C :M 136 LEU 3HD2 : -0.542: 0
: 2831:M 36 ILE 2HG2 :M 136 LEU 2HB : -0.531: 0
: 2831:M 48 ASN O :M 36 ILE HA : -0.408: 0
: 2831:M 105 GLY 2HA :M 176 LEU 1HB : -0.491: 0
: 2831:M 37 VAL 3HG1 :M 135 VAL 2HG2 : -0.491: 0
: 2831:M 135 VAL 3HG1 :M 37 VAL 2HG2 : -0.460: 0
: 2831:M 78 LEU 1HB :M 7 GLY 2HA : -0.484: 0
: 2831:M 75 VAL HB :M 67 ARG HE : -0.465: 0
: 2831:M 109 VAL HB :M 172 THR OG1 : -0.462: 0
: 2831:M 173 VAL HB :M 165 ARG HE : -0.461: 0
: 2831:M 145 CYS 2HB :M 108 ILE HB : -0.451: 0
: 2831:M 74 THR OG1 :M 11 VAL HB : -0.447: 0
: 2831:M 10 ILE HB :M 47 CYS 2HB : -0.446: 0
: 2831:M 3 ASP HA :M 53 VAL O : -0.438: 0
: 2831:M 4 PHE CZ :M 53 VAL CG2 : -0.400: 0
: 2831:M 151 VAL O :M 101 ASP HA : -0.434: 0
: 2831:M 124 ILE 1HG2 :M 147 LEU 3HD1 : -0.430: 0
: 2831:M 26 ILE 1HG2 :M 49 LEU 3HD1 : -0.428: 0
: 2831:M 29 PHE HD1 :M 29 PHE HA : -0.401: 0
: 2831:M 25 VAL 3HG2 :M 21 GLN O : -0.400: 0
#sum2 ::9.54 clashscore : 9.54 clashscore B<40
#summary::2831 atoms:2831 atoms B<40:318202 potential dots:19890.0 A^2:27 bumps:27 bumps B<40:941 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2831:M 45 PHE HA :M 40 ALA HA : -0.535: 0
: 2831:M 138 ALA HA :M 143 PHE HA : -0.532: 0
: 2831:M 38 LEU 2HB :M 134 ILE 2HG2 : -0.522: 0
: 2831:M 38 LEU C :M 38 LEU 3HD2 : -0.424: 0
: 2831:M 36 ILE 2HG2 :M 136 LEU 2HB : -0.493: 0
: 2831:M 136 LEU C :M 136 LEU 3HD2 : -0.425: 0
: 2831:M 37 VAL 3HG1 :M 135 VAL 2HG2 : -0.466: 0
: 2831:M 135 VAL 3HG1 :M 37 VAL 2HG2 : -0.457: 0
: 2831:M 10 ILE HB :M 47 CYS 2HB : -0.455: 0
: 2831:M 47 CYS HA :M 37 VAL O : -0.446: 0
: 2831:M 145 CYS 2HB :M 108 ILE HB : -0.437: 0
: 2831:M 145 CYS HA :M 135 VAL O : -0.434: 0
: 2831:M 116 MET CG :M 113 LYS 1HB : -0.457: 0
: 2831:M 119 GLN 1HG :M 116 MET HA : -0.453: 0
: 2831:M 123 VAL 3HG2 :M 119 GLN O : -0.409: 0
: 2831:M 78 LEU 1HD2 :M 9 ARG 1HB : -0.452: 0
: 2831:M 18 MET CG :M 15 LYS 1HB : -0.452: 0
: 2831:M 18 MET HA :M 21 GLN 1HG : -0.447: 0
: 2831:M 78 LEU 1HB :M 7 GLY 2HA : -0.440: 0
: 2831:M 21 GLN O :M 25 VAL 3HG2 : -0.416: 0
: 2831:M 15 LYS 2HE :M 15 LYS 2HB : -0.402: 0
: 2831:M 74 THR OG1 :M 11 VAL HB : -0.451: 0
: 2831:M 109 VAL HB :M 172 THR OG1 : -0.451: 0
: 2831:M 176 LEU 1HD2 :M 107 ARG 1HB : -0.445: 0
: 2831:M 105 GLY 2HA :M 176 LEU 1HB : -0.441: 0
: 2831:M 26 ILE 1HG2 :M 49 LEU 3HD1 : -0.430: 0
: 2831:M 173 VAL HB :M 165 ARG HE : -0.426: 0
: 2831:M 75 VAL HB :M 67 ARG HE : -0.424: 0
: 2831:M 124 ILE 1HG2 :M 147 LEU 3HD1 : -0.412: 0
: 2831:M 104 ALA 1HB :M 157 LEU 2HD2 : -0.404: 0
#sum2 ::10.60 clashscore : 10.60 clashscore B<40
#summary::2831 atoms:2831 atoms B<40:318482 potential dots:19910.0 A^2:30 bumps:30 bumps B<40:970.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2831:M 41 LYS 2HE :M 41 LYS O : -0.801: 0
: 2831:M 139 LYS 2HE :M 139 LYS O : -0.785: 0
: 2831:M 38 LEU C :M 38 LEU 3HD2 : -0.586: 0
: 2831:M 38 LEU 2HB :M 134 ILE 2HG2 : -0.471: 0
: 2831:M 136 LEU C :M 136 LEU 3HD2 : -0.582: 0
: 2831:M 36 ILE 2HG2 :M 136 LEU 2HB : -0.470: 0
: 2831:M 138 ALA HA :M 143 PHE HA : -0.570: 0
: 2831:M 45 PHE HA :M 40 ALA HA : -0.567: 0
: 2831:M 62 LEU 2HD2 :M 29 PHE CG : -0.502: 0
: 2831:M 30 ASP 1HB :M 29 PHE O : -0.413: 0
: 2831:M 160 LEU 2HD2 :M 127 PHE CG : -0.500: 0
: 2831:M 127 PHE O :M 128 ASP 1HB : -0.403: 0
: 2831:M 83 HIS CE1 :M 50 MET 2HG : -0.497: 0
: 2831:M 148 MET 2HG :M 181 HIS CE1 : -0.483: 0
: 2831:M 74 THR OG1 :M 11 VAL HB : -0.472: 0
: 2831:M 109 VAL HB :M 172 THR OG1 : -0.472: 0
: 2831:M 3 ASP HA :M 53 VAL O : -0.467: 0
: 2831:M 151 VAL O :M 101 ASP HA : -0.451: 0
: 2831:M 6 ALA 1HB :M 59 LEU 3HD1 : -0.451: 0
: 2831:M 104 ALA 1HB :M 157 LEU 3HD1 : -0.441: 0
: 2831:M 26 ILE 1HG2 :M 49 LEU 3HD1 : -0.440: 0
: 2831:M 116 MET 2HG :M 113 LYS O : -0.433: 0
: 2831:M 116 MET O :M 119 GLN 1HG : -0.419: 0
: 2831:M 145 CYS 2HB :M 108 ILE HB : -0.432: 0
: 2831:M 18 MET 2HG :M 15 LYS O : -0.432: 0
: 2831:M 21 GLN 1HG :M 18 MET O : -0.420: 0
: 2831:M 124 ILE 1HG2 :M 147 LEU 3HD1 : -0.431: 0
: 2831:M 10 ILE HB :M 47 CYS 2HB : -0.420: 0
: 2831:M 131 ILE HA :M 149 ILE 2HG2 : -0.408: 0
#sum2 ::10.24 clashscore : 10.24 clashscore B<40
#summary::2831 atoms:2831 atoms B<40:318054 potential dots:19880.0 A^2:29 bumps:29 bumps B<40:970.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2831:M 18 MET 1HG :M 15 LYS 1HB : -0.561: 0
: 2831:M 72 VAL 3HG2 :M 18 MET 1HE : -0.496: 0
: 2831:M 138 ALA HA :M 143 PHE HA : -0.552: 0
: 2831:M 45 PHE HA :M 40 ALA HA : -0.551: 0
: 2831:M 116 MET 1HG :M 113 LYS 1HB : -0.545: 0
: 2831:M 170 VAL 3HG2 :M 116 MET 1HE : -0.485: 0
: 2831:M 10 ILE HB :M 47 CYS 2HB : -0.510: 0
: 2831:M 10 ILE O :M 46 THR HA : -0.445: 0
: 2831:M 74 THR OG1 :M 11 VAL HB : -0.419: 0
: 2831:M 46 THR HB :M 11 VAL 2HG2 : -0.413: 0
: 2831:M 145 CYS 2HB :M 108 ILE HB : -0.500: 0
: 2831:M 108 ILE O :M 144 THR HA : -0.434: 0
: 2831:M 109 VAL 2HG2 :M 144 THR HB : -0.423: 0
: 2831:M 109 VAL HB :M 172 THR OG1 : -0.416: 0
: 2831:M 3 ASP HA :M 53 VAL O : -0.453: 0
: 2831:M 151 VAL O :M 101 ASP HA : -0.445: 0
: 2831:M 124 ILE 1HG2 :M 147 LEU 3HD1 : -0.432: 0
: 2831:M 64 ASP O :M 68 LYS 1HG : -0.423: 0
: 2831:M 162 ASP O :M 166 LYS 1HG : -0.417: 0
: 2831:M 133 THR HA :M 38 LEU O : -0.416: 0
: 2831:M 136 LEU O :M 35 THR HA : -0.413: 0
: 2831:M 26 ILE 1HG2 :M 49 LEU 3HD1 : -0.410: 0
: 2831:M 75 VAL HB :M 67 ARG CG : -0.408: 0
: 2831:M 173 VAL HB :M 165 ARG CG : -0.401: 0
#sum2 ::8.48 clashscore : 8.48 clashscore B<40
#summary::2831 atoms:2831 atoms B<40:318225 potential dots:19890.0 A^2:24 bumps:24 bumps B<40:905.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2831:M 138 ALA HA :M 143 PHE HA : -0.582: 0
: 2831:M 45 PHE HA :M 40 ALA HA : -0.552: 0
: 2831:M 18 MET CG :M 15 LYS 1HB : -0.512: 0
: 2831:M 15 LYS 2HB :M 15 LYS 2HE : -0.400: 0
: 2831:M 116 MET CG :M 113 LYS 1HB : -0.504: 0
: 2831:M 109 VAL HB :M 172 THR OG1 : -0.474: 0
: 2831:M 74 THR OG1 :M 11 VAL HB : -0.471: 0
: 2831:M 3 ASP HA :M 53 VAL O : -0.452: 0
: 2831:M 151 VAL O :M 101 ASP HA : -0.449: 0
: 2831:M 134 ILE O :M 37 VAL HA : -0.443: 0
: 2831:M 135 VAL HA :M 36 ILE O : -0.443: 0
: 2831:M 36 ILE 3HG2 :M 134 ILE 3HG2 : -0.403: 0
: 2831:M 124 ILE 1HG2 :M 147 LEU 3HD1 : -0.433: 0
: 2831:M 26 ILE 1HG2 :M 49 LEU 3HD1 : -0.432: 0
: 2831:M 173 VAL 1HG1 :M 164 LEU 1HB : -0.422: 0
: 2831:M 75 VAL 1HG1 :M 66 LEU 1HB : -0.418: 0
: 2831:M 85 HIS 2HB :M 84 HIS O : -0.414: 0
: 2831:M 162 ASP O :M 166 LYS 1HG : -0.413: 0
: 2831:M 131 ILE HA :M 149 ILE 2HG2 : -0.409: 0
: 2831:M 176 LEU 1HD2 :M 107 ARG 1HB : -0.409: 0
: 2831:M 72 VAL 1HG1 :M 10 ILE 3HG2 : -0.405: 0
: 2831:M 64 ASP O :M 68 LYS 1HG : -0.405: 0
: 2831:M 51 ILE 2HG2 :M 33 ILE HA : -0.405: 0
: 2831:M 9 ARG 1HB :M 78 LEU 1HD2 : -0.404: 0
#sum2 ::8.48 clashscore : 8.48 clashscore B<40
#summary::2831 atoms:2831 atoms B<40:318228 potential dots:19890.0 A^2:24 bumps:24 bumps B<40:921.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2831:M 18 MET 2HG :M 15 LYS 1HB : -0.592: 0
: 2831:M 10 ILE HB :M 47 CYS 2HB : -0.581: 0
: 2831:M 66 LEU 3HD1 :M 10 ILE 1HD1 : -0.488: 0
: 2831:M 116 MET 2HG :M 113 LYS 1HB : -0.571: 0
: 2831:M 145 CYS 2HB :M 108 ILE HB : -0.564: 0
: 2831:M 108 ILE 1HD1 :M 164 LEU 3HD1 : -0.506: 0
: 2831:M 38 LEU C :M 38 LEU 3HD2 : -0.558: 0
: 2831:M 136 LEU C :M 136 LEU 3HD2 : -0.557: 0
: 2831:M 121 THR 1HG2 :M 23 THR 1HG2 : -0.523: 0
: 2831:M 45 PHE HA :M 40 ALA HA : -0.518: 0
: 2831:M 138 ALA HA :M 143 PHE HA : -0.500: 0
: 2831:M 26 ILE 1HG2 :M 49 LEU 3HD1 : -0.480: 0
: 2831:M 124 ILE 1HG2 :M 147 LEU 3HD1 : -0.472: 0
: 2831:M 104 ALA 1HB :M 157 LEU 3HD1 : -0.437: 0
: 2831:M 6 ALA 1HB :M 59 LEU 3HD1 : -0.431: 0
: 2831:M 6 ALA 1HB :M 59 LEU 2HD2 : -0.400: 0
: 2831:M 74 THR OG1 :M 11 VAL HB : -0.429: 0
: 2831:M 51 ILE 2HG2 :M 33 ILE HA : -0.422: 0
: 2831:M 109 VAL HB :M 172 THR OG1 : -0.422: 0
: 2831:M 131 ILE HA :M 149 ILE 2HG2 : -0.418: 0
: 2831:M 148 MET 2HG :M 181 HIS CE1 : -0.414: 0
: 2831:M 50 MET 2HG :M 83 HIS CE1 : -0.404: 0
#sum2 ::7.77 clashscore : 7.77 clashscore B<40
#summary::2831 atoms:2831 atoms B<40:318037 potential dots:19880.0 A^2:22 bumps:22 bumps B<40:930.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2831:M 138 ALA HA :M 143 PHE HA : -0.590: 0
: 2831:M 45 PHE HA :M 40 ALA HA : -0.589: 0
: 2831:M 38 LEU C :M 38 LEU 3HD2 : -0.585: 0
: 2831:M 136 LEU C :M 136 LEU 3HD2 : -0.571: 0
: 2831:M 116 MET 1HG :M 113 LYS 1HB : -0.516: 0
: 2831:M 116 MET CG :M 113 LYS 1HB : -0.456: 0
: 2831:M 119 GLN 1HG :M 116 MET HA : -0.424: 0
: 2831:M 18 MET 1HG :M 15 LYS 1HB : -0.500: 0
: 2831:M 18 MET CG :M 15 LYS 1HB : -0.456: 0
: 2831:M 18 MET HA :M 21 GLN 1HG : -0.425: 0
: 2831:M 72 VAL 3HG2 :M 18 MET 1HE : -0.408: 0
: 2831:M 12 GLY CA :M 72 VAL HA : -0.404: 0
: 2831:M 124 ILE 1HG2 :M 147 LEU 3HD1 : -0.484: 0
: 2831:M 26 ILE 1HG2 :M 49 LEU 3HD1 : -0.469: 0
: 2831:M 109 VAL HB :M 172 THR OG1 : -0.466: 0
: 2831:M 173 VAL HB :M 165 ARG HE : -0.466: 0
: 2831:M 10 ILE HB :M 47 CYS 2HB : -0.463: 0
: 2831:M 145 CYS 2HB :M 108 ILE HB : -0.463: 0
: 2831:M 74 THR OG1 :M 11 VAL HB : -0.460: 0
: 2831:M 83 HIS CE1 :M 50 MET 2HG : -0.459: 0
: 2831:M 35 THR H :M 50 MET 1HB : -0.427: 0
: 2831:M 148 MET 2HG :M 181 HIS CE1 : -0.458: 0
: 2831:M 148 MET 1HB :M 133 THR H : -0.428: 0
: 2831:M 75 VAL HB :M 67 ARG HE : -0.453: 0
: 2831:M 78 LEU 1HB :M 7 GLY 2HA : -0.441: 0
: 2831:M 105 GLY 2HA :M 176 LEU 1HB : -0.434: 0
: 2831:M 121 THR 1HG2 :M 23 THR 1HG2 : -0.425: 0
: 2831:M 3 ASP HA :M 53 VAL O : -0.401: 0
: 2831:M 162 ASP O :M 166 LYS 1HG : -0.400: 0
#sum2 ::10.24 clashscore : 10.24 clashscore B<40
#summary::2831 atoms:2831 atoms B<40:318184 potential dots:19890.0 A^2:29 bumps:29 bumps B<40:915.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2831:M 136 LEU C :M 136 LEU 3HD2 : -0.618: 0
: 2831:M 136 LEU C :M 136 LEU CD2 : -0.408: 0
: 2831:M 38 LEU C :M 38 LEU 3HD2 : -0.614: 0
: 2831:M 45 PHE HA :M 40 ALA HA : -0.530: 0
: 2831:M 45 PHE N :M 44 ILE 2HG2 : -0.420: 0
: 2831:M 138 ALA HA :M 143 PHE HA : -0.511: 0
: 2831:M 143 PHE N :M 142 ILE 2HG2 : -0.416: 0
: 2831:M 18 MET 1HG :M 15 LYS 1HB : -0.503: 0
: 2831:M 18 MET HA :M 21 GLN 1HG : -0.441: 0
: 2831:M 173 VAL HB :M 165 ARG HE : -0.500: 0
: 2831:M 26 ILE 1HG2 :M 49 LEU 3HD1 : -0.498: 0
: 2831:M 124 ILE 1HG2 :M 147 LEU 3HD1 : -0.495: 0
: 2831:M 116 MET 1HG :M 113 LYS 1HB : -0.495: 0
: 2831:M 119 GLN 1HG :M 116 MET HA : -0.440: 0
: 2831:M 75 VAL HB :M 67 ARG HE : -0.484: 0
: 2831:M 74 THR OG1 :M 11 VAL HB : -0.479: 0
: 2831:M 109 VAL HB :M 172 THR OG1 : -0.476: 0
: 2831:M 100 THR HB :M 99 MET O : -0.475: 0
: 2831:M 99 MET O :M 100 THR CB : -0.443: 0
: 2831:M 2 THR HB :M 1 MET O : -0.468: 0
: 2831:M 1 MET O :M 2 THR CB : -0.436: 0
: 2831:M 37 VAL 3HG1 :M 135 VAL 2HG2 : -0.452: 0
: 2831:M 135 VAL 3HG1 :M 37 VAL 2HG2 : -0.443: 0
: 2831:M 47 CYS HA :M 37 VAL O : -0.403: 0
: 2831:M 51 ILE 2HG2 :M 33 ILE HA : -0.436: 0
: 2831:M 131 ILE HA :M 149 ILE 2HG2 : -0.426: 0
: 2831:M 66 LEU 3HD1 :M 10 ILE 1HD1 : -0.412: 0
: 2831:M 144 THR 3HG2 :M 144 THR O : -0.404: 0
: 2831:M 6 ALA 1HB :M 59 LEU 3HD1 : -0.402: 0
: 2831:M 108 ILE 1HD1 :M 164 LEU 3HD1 : -0.400: 0
#sum2 ::10.60 clashscore : 10.60 clashscore B<40
#summary::2831 atoms:2831 atoms B<40:317999 potential dots:19870.0 A^2:30 bumps:30 bumps B<40:973.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2831:M 51 ILE 2HG2 :M 33 ILE HA : -0.556: 0
: 2831:M 131 ILE HA :M 149 ILE 2HG2 : -0.551: 0
: 2831:M 138 ALA HA :M 143 PHE HA : -0.533: 0
: 2831:M 45 PHE HA :M 40 ALA HA : -0.526: 0
: 2831:M 26 ILE 1HG2 :M 49 LEU 3HD1 : -0.479: 0
: 2831:M 124 ILE 1HG2 :M 147 LEU 3HD1 : -0.471: 0
: 2831:M 74 THR OG1 :M 11 VAL HB : -0.465: 0
: 2831:M 109 VAL HB :M 172 THR OG1 : -0.464: 0
: 2831:M 104 ALA 1HB :M 157 LEU 3HD1 : -0.452: 0
: 2831:M 129 THR 2HG2 :M 127 PHE 2HB : -0.448: 0
: 2831:M 151 VAL O :M 101 ASP HA : -0.437: 0
: 2831:M 29 PHE 2HB :M 31 THR 2HG2 : -0.437: 0
: 2831:M 3 ASP HA :M 53 VAL O : -0.434: 0
: 2831:M 173 VAL HB :M 165 ARG CG : -0.428: 0
: 2831:M 6 ALA 1HB :M 59 LEU 3HD1 : -0.427: 0
: 2831:M 78 LEU 1HD2 :M 9 ARG 1HB : -0.422: 0
: 2831:M 58 LYS O :M 62 LEU HG : -0.419: 0
: 2831:M 176 LEU 1HD2 :M 107 ARG 1HB : -0.419: 0
: 2831:M 75 VAL HB :M 67 ARG CG : -0.418: 0
: 2831:M 133 THR HA :M 38 LEU O : -0.416: 0
: 2831:M 136 LEU O :M 35 THR HA : -0.406: 0
: 2831:M 156 LYS O :M 160 LEU HG : -0.405: 0
: 2831:M 41 LYS 1HD :M 41 LYS N : -0.401: 0
: 2831:M 139 LYS 1HD :M 139 LYS N : -0.400: 0
#sum2 ::8.48 clashscore : 8.48 clashscore B<40
#summary::2831 atoms:2831 atoms B<40:318399 potential dots:19900.0 A^2:24 bumps:24 bumps B<40:991.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2831:M 26 ILE 1HG2 :M 49 LEU 3HD1 : -0.558: 0
: 2831:M 38 LEU C :M 38 LEU 3HD2 : -0.555: 0
: 2831:M 38 LEU 2HB :M 134 ILE 2HG2 : -0.463: 0
: 2831:M 45 PHE HA :M 40 ALA HA : -0.554: 0
: 2831:M 138 ALA HA :M 143 PHE HA : -0.545: 0
: 2831:M 136 LEU C :M 136 LEU 3HD2 : -0.545: 0
: 2831:M 36 ILE 2HG2 :M 136 LEU 2HB : -0.467: 0
: 2831:M 124 ILE 1HG2 :M 147 LEU 3HD1 : -0.539: 0
: 2831:M 147 LEU 1HD1 :M 149 ILE 3HG2 : -0.402: 0
: 2831:M 145 CYS 2HB :M 108 ILE HB : -0.491: 0
: 2831:M 74 THR OG1 :M 11 VAL HB : -0.488: 0
: 2831:M 46 THR HB :M 11 VAL 2HG2 : -0.428: 0
: 2831:M 10 ILE HB :M 47 CYS 2HB : -0.485: 0
: 2831:M 160 LEU 2HD2 :M 127 PHE CG : -0.481: 0
: 2831:M 62 LEU 2HD2 :M 29 PHE CG : -0.480: 0
: 2831:M 109 VAL HB :M 172 THR OG1 : -0.475: 0
: 2831:M 109 VAL 2HG2 :M 144 THR HB : -0.433: 0
: 2831:M 78 LEU 1HB :M 7 GLY 2HA : -0.439: 0
: 2831:M 37 VAL 3HG1 :M 135 VAL 2HG2 : -0.436: 0
: 2831:M 135 VAL 3HG1 :M 37 VAL 2HG2 : -0.429: 0
: 2831:M 18 MET 2HG :M 15 LYS O : -0.435: 0
: 2831:M 116 MET 2HG :M 113 LYS O : -0.434: 0
: 2831:M 105 GLY 2HA :M 176 LEU 1HB : -0.432: 0
: 2831:M 102 PHE CZ :M 151 VAL CG2 : -0.422: 0
: 2831:M 4 PHE CZ :M 53 VAL CG2 : -0.419: 0
: 2831:M 123 VAL 3HG2 :M 119 GLN O : -0.406: 0
: 2831:M 25 VAL 3HG2 :M 21 GLN O : -0.402: 0
#sum2 ::9.54 clashscore : 9.54 clashscore B<40
#summary::2831 atoms:2831 atoms B<40:318233 potential dots:19890.0 A^2:27 bumps:27 bumps B<40:969.7 score
Output from PDB validation software
Summary from PDB validation
May. 14, 13:55:47 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
none
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.010 Angstroms
All covalent bonds lie within a 6.0*RMSD range about the
standard dictionary values.
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.7 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
-7.8 CYS A 47 1 N - CA - CB 102.7 110.5
-7.8 CYS B 47 1 N - CA - CB 102.7 110.5
-7.9 CYS A 47 2 N - CA - CB 102.6 110.5
-7.9 CYS B 47 2 N - CA - CB 102.6 110.5
-7.9 CYS A 47 3 N - CA - CB 102.6 110.5
-7.9 CYS B 47 3 N - CA - CB 102.6 110.5
-7.7 CYS A 47 5 N - CA - CB 102.8 110.5
-7.7 CYS B 47 5 N - CA - CB 102.8 110.5
-7.8 CYS A 47 6 N - CA - CB 102.7 110.5
-7.8 CYS B 47 6 N - CA - CB 102.7 110.5
-7.7 CYS A 47 7 N - CA - CB 102.8 110.5
-7.7 CYS B 47 7 N - CA - CB 102.8 110.5
-7.8 CYS A 47 8 N - CA - CB 102.7 110.5
-7.8 CYS B 47 8 N - CA - CB 102.7 110.5
-8.0 CYS A 47 9 N - CA - CB 102.5 110.5
-7.9 CYS B 47 9 N - CA - CB 102.6 110.5
-7.9 CYS A 47 10 N - CA - CB 102.6 110.5
-7.9 CYS B 47 10 N - CA - CB 102.6 110.5
-7.8 CYS A 47 11 N - CA - CB 102.7 110.5
-7.8 CYS B 47 11 N - CA - CB 102.7 110.5
-7.8 CYS A 47 12 N - CA - CB 102.7 110.5
-7.8 CYS B 47 12 N - CA - CB 102.7 110.5
-7.8 CYS A 47 13 N - CA - CB 102.7 110.5
-7.8 CYS B 47 13 N - CA - CB 102.7 110.5
-7.7 CYS A 47 14 N - CA - CB 102.8 110.5
-7.7 CYS B 47 14 N - CA - CB 102.8 110.5
-7.9 CYS A 47 15 N - CA - CB 102.6 110.5
-7.9 CYS B 47 15 N - CA - CB 102.6 110.5
-7.8 CYS A 47 16 N - CA - CB 102.7 110.5
-7.8 CYS B 47 16 N - CA - CB 102.7 110.5
-7.8 CYS A 47 17 N - CA - CB 102.7 110.5
-7.8 CYS B 47 17 N - CA - CB 102.7 110.5
-7.8 CYS A 47 18 N - CA - CB 102.7 110.5
-7.8 CYS B 47 18 N - CA - CB 102.7 110.5
-7.8 CYS A 47 19 N - CA - CB 102.7 110.5
-7.8 CYS B 47 19 N - CA - CB 102.7 110.5
-7.8 CYS A 47 20 N - CA - CB 102.7 110.5
-7.8 CYS B 47 20 N - CA - CB 102.7 110.5
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A ASN 16 1HD2
1 A ASN 16 2HD2
1 A ASN 20 1HD2
1 A ASN 20 2HD2
1 A GLN 21 1HE2
1 A GLN 21 2HE2
1 A ASN 32 1HD2
1 A ASN 32 2HD2
1 A ASN 39 1HD2
1 A ASN 39 2HD2
1 A ASN 48 1HD2
1 A ASN 48 2HD2
1 A ASN 55 1HD2
1 A ASN 55 2HD2
1 A GLN 70 1HE2
1 A GLN 70 2HE2
1 A ASN 80 1HD2
1 A ASN 80 2HD2
1 B ASN 16 1HD2
1 B ASN 16 2HD2
1 B ASN 20 1HD2
1 B ASN 20 2HD2
1 B GLN 21 1HE2
1 B GLN 21 2HE2
1 B ASN 32 1HD2
1 B ASN 32 2HD2
1 B ASN 39 1HD2
1 B ASN 39 2HD2
1 B ASN 48 1HD2
1 B ASN 48 2HD2
1 B ASN 55 1HD2
1 B ASN 55 2HD2
1 B GLN 70 1HE2
1 B GLN 70 2HE2
1 B ASN 80 1HD2
1 B ASN 80 2HD2
2 A ASN 16 1HD2
2 A ASN 16 2HD2
2 A ASN 20 1HD2
2 A ASN 20 2HD2
2 A GLN 21 1HE2
2 A GLN 21 2HE2
2 A ASN 32 1HD2
2 A ASN 32 2HD2
2 A ASN 39 1HD2
2 A ASN 39 2HD2
2 A ASN 48 1HD2
2 A ASN 48 2HD2
2 A ASN 55 1HD2
2 A ASN 55 2HD2
2 A GLN 70 1HE2
2 A GLN 70 2HE2
2 A ASN 80 1HD2
2 A ASN 80 2HD2
2 B ASN 16 1HD2
2 B ASN 16 2HD2
2 B ASN 20 1HD2
2 B ASN 20 2HD2
2 B GLN 21 1HE2
2 B GLN 21 2HE2
2 B ASN 32 1HD2
2 B ASN 32 2HD2
2 B ASN 39 1HD2
2 B ASN 39 2HD2
2 B ASN 48 1HD2
2 B ASN 48 2HD2
2 B ASN 55 1HD2
2 B ASN 55 2HD2
2 B GLN 70 1HE2
2 B GLN 70 2HE2
2 B ASN 80 1HD2
2 B ASN 80 2HD2
3 A ASN 16 1HD2
3 A ASN 16 2HD2
3 A ASN 20 1HD2
3 A ASN 20 2HD2
3 A GLN 21 1HE2
3 A GLN 21 2HE2
3 A ASN 32 1HD2
3 A ASN 32 2HD2
3 A ASN 39 1HD2
3 A ASN 39 2HD2
3 A ASN 48 1HD2
3 A ASN 48 2HD2
3 A ASN 55 1HD2
3 A ASN 55 2HD2
3 A GLN 70 1HE2
3 A GLN 70 2HE2
3 A ASN 80 1HD2
3 A ASN 80 2HD2
3 B ASN 16 1HD2
3 B ASN 16 2HD2
3 B ASN 20 1HD2
3 B ASN 20 2HD2
3 B GLN 21 1HE2
3 B GLN 21 2HE2
3 B ASN 32 1HD2
3 B ASN 32 2HD2
3 B ASN 39 1HD2
3 B ASN 39 2HD2
3 B ASN 48 1HD2
3 B ASN 48 2HD2
3 B ASN 55 1HD2
3 B ASN 55 2HD2
3 B GLN 70 1HE2
3 B GLN 70 2HE2
3 B ASN 80 1HD2
3 B ASN 80 2HD2
4 A ASN 16 1HD2
4 A ASN 16 2HD2
4 A ASN 20 1HD2
4 A ASN 20 2HD2
4 A GLN 21 1HE2
4 A GLN 21 2HE2
4 A ASN 32 1HD2
4 A ASN 32 2HD2
4 A ASN 39 1HD2
4 A ASN 39 2HD2
4 A ASN 48 1HD2
4 A ASN 48 2HD2
4 A ASN 55 1HD2
4 A ASN 55 2HD2
4 A GLN 70 1HE2
4 A GLN 70 2HE2
4 A ASN 80 1HD2
4 A ASN 80 2HD2
4 B ASN 16 1HD2
4 B ASN 16 2HD2
4 B ASN 20 1HD2
4 B ASN 20 2HD2
4 B GLN 21 1HE2
4 B GLN 21 2HE2
4 B ASN 32 1HD2
4 B ASN 32 2HD2
4 B ASN 39 1HD2
4 B ASN 39 2HD2
4 B ASN 48 1HD2
4 B ASN 48 2HD2
4 B ASN 55 1HD2
4 B ASN 55 2HD2
4 B GLN 70 1HE2
4 B GLN 70 2HE2
4 B ASN 80 1HD2
4 B ASN 80 2HD2
5 A ASN 16 1HD2
5 A ASN 16 2HD2
5 A ASN 20 1HD2
5 A ASN 20 2HD2
5 A GLN 21 1HE2
5 A GLN 21 2HE2
5 A ASN 32 1HD2
5 A ASN 32 2HD2
5 A ASN 39 1HD2
5 A ASN 39 2HD2
5 A ASN 48 1HD2
5 A ASN 48 2HD2
5 A ASN 55 1HD2
5 A ASN 55 2HD2
5 A GLN 70 1HE2
5 A GLN 70 2HE2
5 A ASN 80 1HD2
5 A ASN 80 2HD2
5 B ASN 16 1HD2
5 B ASN 16 2HD2
5 B ASN 20 1HD2
5 B ASN 20 2HD2
5 B GLN 21 1HE2
5 B GLN 21 2HE2
5 B ASN 32 1HD2
5 B ASN 32 2HD2
5 B ASN 39 1HD2
5 B ASN 39 2HD2
5 B ASN 48 1HD2
5 B ASN 48 2HD2
5 B ASN 55 1HD2
5 B ASN 55 2HD2
5 B GLN 70 1HE2
5 B GLN 70 2HE2
5 B ASN 80 1HD2
5 B ASN 80 2HD2
6 A ASN 16 1HD2
6 A ASN 16 2HD2
6 A ASN 20 1HD2
6 A ASN 20 2HD2
6 A GLN 21 1HE2
6 A GLN 21 2HE2
6 A ASN 32 1HD2
6 A ASN 32 2HD2
6 A ASN 39 1HD2
6 A ASN 39 2HD2
6 A ASN 48 1HD2
6 A ASN 48 2HD2
6 A ASN 55 1HD2
6 A ASN 55 2HD2
6 A GLN 70 1HE2
6 A GLN 70 2HE2
6 A ASN 80 1HD2
6 A ASN 80 2HD2
6 B ASN 16 1HD2
6 B ASN 16 2HD2
6 B ASN 20 1HD2
6 B ASN 20 2HD2
6 B GLN 21 1HE2
6 B GLN 21 2HE2
6 B ASN 32 1HD2
6 B ASN 32 2HD2
6 B ASN 39 1HD2
6 B ASN 39 2HD2
6 B ASN 48 1HD2
6 B ASN 48 2HD2
6 B ASN 55 1HD2
6 B ASN 55 2HD2
6 B GLN 70 1HE2
6 B GLN 70 2HE2
6 B ASN 80 1HD2
6 B ASN 80 2HD2
7 A ASN 16 1HD2
7 A ASN 16 2HD2
7 A ASN 20 1HD2
7 A ASN 20 2HD2
7 A GLN 21 1HE2
7 A GLN 21 2HE2
7 A ASN 32 1HD2
7 A ASN 32 2HD2
7 A ASN 39 1HD2
7 A ASN 39 2HD2
7 A ASN 48 1HD2
7 A ASN 48 2HD2
7 A ASN 55 1HD2
7 A ASN 55 2HD2
7 A GLN 70 1HE2
7 A GLN 70 2HE2
7 A ASN 80 1HD2
7 A ASN 80 2HD2
7 B ASN 16 1HD2
7 B ASN 16 2HD2
7 B ASN 20 1HD2
7 B ASN 20 2HD2
7 B GLN 21 1HE2
7 B GLN 21 2HE2
7 B ASN 32 1HD2
7 B ASN 32 2HD2
7 B ASN 39 1HD2
7 B ASN 39 2HD2
7 B ASN 48 1HD2
7 B ASN 48 2HD2
7 B ASN 55 1HD2
7 B ASN 55 2HD2
7 B GLN 70 1HE2
7 B GLN 70 2HE2
7 B ASN 80 1HD2
7 B ASN 80 2HD2
8 A ASN 16 1HD2
8 A ASN 16 2HD2
8 A ASN 20 1HD2
8 A ASN 20 2HD2
8 A GLN 21 1HE2
8 A GLN 21 2HE2
8 A ASN 32 1HD2
8 A ASN 32 2HD2
8 A ASN 39 1HD2
8 A ASN 39 2HD2
8 A ASN 48 1HD2
8 A ASN 48 2HD2
8 A ASN 55 1HD2
8 A ASN 55 2HD2
8 A GLN 70 1HE2
8 A GLN 70 2HE2
8 A ASN 80 1HD2
8 A ASN 80 2HD2
8 B ASN 16 1HD2
8 B ASN 16 2HD2
8 B ASN 20 1HD2
8 B ASN 20 2HD2
8 B GLN 21 1HE2
8 B GLN 21 2HE2
8 B ASN 32 1HD2
8 B ASN 32 2HD2
8 B ASN 39 1HD2
8 B ASN 39 2HD2
8 B ASN 48 1HD2
8 B ASN 48 2HD2
8 B ASN 55 1HD2
8 B ASN 55 2HD2
8 B GLN 70 1HE2
8 B GLN 70 2HE2
8 B ASN 80 1HD2
8 B ASN 80 2HD2
9 A ASN 16 1HD2
9 A ASN 16 2HD2
9 A ASN 20 1HD2
9 A ASN 20 2HD2
9 A GLN 21 1HE2
9 A GLN 21 2HE2
9 A ASN 32 1HD2
9 A ASN 32 2HD2
9 A ASN 39 1HD2
9 A ASN 39 2HD2
9 A ASN 48 1HD2
9 A ASN 48 2HD2
9 A ASN 55 1HD2
9 A ASN 55 2HD2
9 A GLN 70 1HE2
9 A GLN 70 2HE2
9 A ASN 80 1HD2
9 A ASN 80 2HD2
9 B ASN 16 1HD2
9 B ASN 16 2HD2
9 B ASN 20 1HD2
9 B ASN 20 2HD2
9 B GLN 21 1HE2
9 B GLN 21 2HE2
9 B ASN 32 1HD2
9 B ASN 32 2HD2
9 B ASN 39 1HD2
9 B ASN 39 2HD2
9 B ASN 48 1HD2
9 B ASN 48 2HD2
9 B ASN 55 1HD2
9 B ASN 55 2HD2
9 B GLN 70 1HE2
9 B GLN 70 2HE2
9 B ASN 80 1HD2
9 B ASN 80 2HD2
10 A ASN 16 1HD2
10 A ASN 16 2HD2
10 A ASN 20 1HD2
10 A ASN 20 2HD2
10 A GLN 21 1HE2
10 A GLN 21 2HE2
10 A ASN 32 1HD2
10 A ASN 32 2HD2
10 A ASN 39 1HD2
10 A ASN 39 2HD2
10 A ASN 48 1HD2
10 A ASN 48 2HD2
10 A ASN 55 1HD2
10 A ASN 55 2HD2
10 A GLN 70 1HE2
10 A GLN 70 2HE2
10 A ASN 80 1HD2
10 A ASN 80 2HD2
10 B ASN 16 1HD2
10 B ASN 16 2HD2
10 B ASN 20 1HD2
10 B ASN 20 2HD2
10 B GLN 21 1HE2
10 B GLN 21 2HE2
10 B ASN 32 1HD2
10 B ASN 32 2HD2
10 B ASN 39 1HD2
10 B ASN 39 2HD2
10 B ASN 48 1HD2
10 B ASN 48 2HD2
10 B ASN 55 1HD2
10 B ASN 55 2HD2
10 B GLN 70 1HE2
10 B GLN 70 2HE2
10 B ASN 80 1HD2
10 B ASN 80 2HD2
11 A ASN 16 1HD2
11 A ASN 16 2HD2
11 A ASN 20 1HD2
11 A ASN 20 2HD2
11 A GLN 21 1HE2
11 A GLN 21 2HE2
11 A ASN 32 1HD2
11 A ASN 32 2HD2
11 A ASN 39 1HD2
11 A ASN 39 2HD2
11 A ASN 48 1HD2
11 A ASN 48 2HD2
11 A ASN 55 1HD2
11 A ASN 55 2HD2
11 A GLN 70 1HE2
11 A GLN 70 2HE2
11 A ASN 80 1HD2
11 A ASN 80 2HD2
11 B ASN 16 1HD2
11 B ASN 16 2HD2
11 B ASN 20 1HD2
11 B ASN 20 2HD2
11 B GLN 21 1HE2
11 B GLN 21 2HE2
11 B ASN 32 1HD2
11 B ASN 32 2HD2
11 B ASN 39 1HD2
11 B ASN 39 2HD2
11 B ASN 48 1HD2
11 B ASN 48 2HD2
11 B ASN 55 1HD2
11 B ASN 55 2HD2
11 B GLN 70 1HE2
11 B GLN 70 2HE2
11 B ASN 80 1HD2
11 B ASN 80 2HD2
12 A ASN 16 1HD2
12 A ASN 16 2HD2
12 A ASN 20 1HD2
12 A ASN 20 2HD2
12 A GLN 21 1HE2
12 A GLN 21 2HE2
12 A ASN 32 1HD2
12 A ASN 32 2HD2
12 A ASN 39 1HD2
12 A ASN 39 2HD2
12 A ASN 48 1HD2
12 A ASN 48 2HD2
12 A ASN 55 1HD2
12 A ASN 55 2HD2
12 A GLN 70 1HE2
12 A GLN 70 2HE2
12 A ASN 80 1HD2
12 A ASN 80 2HD2
12 B ASN 16 1HD2
12 B ASN 16 2HD2
12 B ASN 20 1HD2
12 B ASN 20 2HD2
12 B GLN 21 1HE2
12 B GLN 21 2HE2
12 B ASN 32 1HD2
12 B ASN 32 2HD2
12 B ASN 39 1HD2
12 B ASN 39 2HD2
12 B ASN 48 1HD2
12 B ASN 48 2HD2
12 B ASN 55 1HD2
12 B ASN 55 2HD2
12 B GLN 70 1HE2
12 B GLN 70 2HE2
12 B ASN 80 1HD2
12 B ASN 80 2HD2
13 A ASN 16 1HD2
13 A ASN 16 2HD2
13 A ASN 20 1HD2
13 A ASN 20 2HD2
13 A GLN 21 1HE2
13 A GLN 21 2HE2
13 A ASN 32 1HD2
13 A ASN 32 2HD2
13 A ASN 39 1HD2
13 A ASN 39 2HD2
13 A ASN 48 1HD2
13 A ASN 48 2HD2
13 A ASN 55 1HD2
13 A ASN 55 2HD2
13 A GLN 70 1HE2
13 A GLN 70 2HE2
13 A ASN 80 1HD2
13 A ASN 80 2HD2
13 B ASN 16 1HD2
13 B ASN 16 2HD2
13 B ASN 20 1HD2
13 B ASN 20 2HD2
13 B GLN 21 1HE2
13 B GLN 21 2HE2
13 B ASN 32 1HD2
13 B ASN 32 2HD2
13 B ASN 39 1HD2
13 B ASN 39 2HD2
13 B ASN 48 1HD2
13 B ASN 48 2HD2
13 B ASN 55 1HD2
13 B ASN 55 2HD2
13 B GLN 70 1HE2
13 B GLN 70 2HE2
13 B ASN 80 1HD2
13 B ASN 80 2HD2
14 A ASN 16 1HD2
14 A ASN 16 2HD2
14 A ASN 20 1HD2
14 A ASN 20 2HD2
14 A GLN 21 1HE2
14 A GLN 21 2HE2
14 A ASN 32 1HD2
14 A ASN 32 2HD2
14 A ASN 39 1HD2
14 A ASN 39 2HD2
14 A ASN 48 1HD2
14 A ASN 48 2HD2
14 A ASN 55 1HD2
14 A ASN 55 2HD2
14 A GLN 70 1HE2
14 A GLN 70 2HE2
14 A ASN 80 1HD2
14 A ASN 80 2HD2
14 B ASN 16 1HD2
14 B ASN 16 2HD2
14 B ASN 20 1HD2
14 B ASN 20 2HD2
14 B GLN 21 1HE2
14 B GLN 21 2HE2
14 B ASN 32 1HD2
14 B ASN 32 2HD2
14 B ASN 39 1HD2
14 B ASN 39 2HD2
14 B ASN 48 1HD2
14 B ASN 48 2HD2
14 B ASN 55 1HD2
14 B ASN 55 2HD2
14 B GLN 70 1HE2
14 B GLN 70 2HE2
14 B ASN 80 1HD2
14 B ASN 80 2HD2
15 A ASN 16 1HD2
15 A ASN 16 2HD2
15 A ASN 20 1HD2
15 A ASN 20 2HD2
15 A GLN 21 1HE2
15 A GLN 21 2HE2
15 A ASN 32 1HD2
15 A ASN 32 2HD2
15 A ASN 39 1HD2
15 A ASN 39 2HD2
15 A ASN 48 1HD2
15 A ASN 48 2HD2
15 A ASN 55 1HD2
15 A ASN 55 2HD2
15 A GLN 70 1HE2
15 A GLN 70 2HE2
15 A ASN 80 1HD2
15 A ASN 80 2HD2
15 B ASN 16 1HD2
15 B ASN 16 2HD2
15 B ASN 20 1HD2
15 B ASN 20 2HD2
15 B GLN 21 1HE2
15 B GLN 21 2HE2
15 B ASN 32 1HD2
15 B ASN 32 2HD2
15 B ASN 39 1HD2
15 B ASN 39 2HD2
15 B ASN 48 1HD2
15 B ASN 48 2HD2
15 B ASN 55 1HD2
15 B ASN 55 2HD2
15 B GLN 70 1HE2
15 B GLN 70 2HE2
15 B ASN 80 1HD2
15 B ASN 80 2HD2
16 A ASN 16 1HD2
16 A ASN 16 2HD2
16 A ASN 20 1HD2
16 A ASN 20 2HD2
16 A GLN 21 1HE2
16 A GLN 21 2HE2
16 A ASN 32 1HD2
16 A ASN 32 2HD2
16 A ASN 39 1HD2
16 A ASN 39 2HD2
16 A ASN 48 1HD2
16 A ASN 48 2HD2
16 A ASN 55 1HD2
16 A ASN 55 2HD2
16 A GLN 70 1HE2
16 A GLN 70 2HE2
16 A ASN 80 1HD2
16 A ASN 80 2HD2
16 B ASN 16 1HD2
16 B ASN 16 2HD2
16 B ASN 20 1HD2
16 B ASN 20 2HD2
16 B GLN 21 1HE2
16 B GLN 21 2HE2
16 B ASN 32 1HD2
16 B ASN 32 2HD2
16 B ASN 39 1HD2
16 B ASN 39 2HD2
16 B ASN 48 1HD2
16 B ASN 48 2HD2
16 B ASN 55 1HD2
16 B ASN 55 2HD2
16 B GLN 70 1HE2
16 B GLN 70 2HE2
16 B ASN 80 1HD2
16 B ASN 80 2HD2
17 A ASN 16 1HD2
17 A ASN 16 2HD2
17 A ASN 20 1HD2
17 A ASN 20 2HD2
17 A GLN 21 1HE2
17 A GLN 21 2HE2
17 A ASN 32 1HD2
17 A ASN 32 2HD2
17 A ASN 39 1HD2
17 A ASN 39 2HD2
17 A ASN 48 1HD2
17 A ASN 48 2HD2
17 A ASN 55 1HD2
17 A ASN 55 2HD2
17 A GLN 70 1HE2
17 A GLN 70 2HE2
17 A ASN 80 1HD2
17 A ASN 80 2HD2
17 B ASN 16 1HD2
17 B ASN 16 2HD2
17 B ASN 20 1HD2
17 B ASN 20 2HD2
17 B GLN 21 1HE2
17 B GLN 21 2HE2
17 B ASN 32 1HD2
17 B ASN 32 2HD2
17 B ASN 39 1HD2
17 B ASN 39 2HD2
17 B ASN 48 1HD2
17 B ASN 48 2HD2
17 B ASN 55 1HD2
17 B ASN 55 2HD2
17 B GLN 70 1HE2
17 B GLN 70 2HE2
17 B ASN 80 1HD2
17 B ASN 80 2HD2
18 A ASN 16 1HD2
18 A ASN 16 2HD2
18 A ASN 20 1HD2
18 A ASN 20 2HD2
18 A GLN 21 1HE2
18 A GLN 21 2HE2
18 A ASN 32 1HD2
18 A ASN 32 2HD2
18 A ASN 39 1HD2
18 A ASN 39 2HD2
18 A ASN 48 1HD2
18 A ASN 48 2HD2
18 A ASN 55 1HD2
18 A ASN 55 2HD2
18 A GLN 70 1HE2
18 A GLN 70 2HE2
18 A ASN 80 1HD2
18 A ASN 80 2HD2
18 B ASN 16 1HD2
18 B ASN 16 2HD2
18 B ASN 20 1HD2
18 B ASN 20 2HD2
18 B GLN 21 1HE2
18 B GLN 21 2HE2
18 B ASN 32 1HD2
18 B ASN 32 2HD2
18 B ASN 39 1HD2
18 B ASN 39 2HD2
18 B ASN 48 1HD2
18 B ASN 48 2HD2
18 B ASN 55 1HD2
18 B ASN 55 2HD2
18 B GLN 70 1HE2
18 B GLN 70 2HE2
18 B ASN 80 1HD2
18 B ASN 80 2HD2
19 A ASN 16 1HD2
19 A ASN 16 2HD2
19 A ASN 20 1HD2
19 A ASN 20 2HD2
19 A GLN 21 1HE2
19 A GLN 21 2HE2
19 A ASN 32 1HD2
19 A ASN 32 2HD2
19 A ASN 39 1HD2
19 A ASN 39 2HD2
19 A ASN 48 1HD2
19 A ASN 48 2HD2
19 A ASN 55 1HD2
19 A ASN 55 2HD2
19 A GLN 70 1HE2
19 A GLN 70 2HE2
19 A ASN 80 1HD2
19 A ASN 80 2HD2
19 B ASN 16 1HD2
19 B ASN 16 2HD2
19 B ASN 20 1HD2
19 B ASN 20 2HD2
19 B GLN 21 1HE2
19 B GLN 21 2HE2
19 B ASN 32 1HD2
19 B ASN 32 2HD2
19 B ASN 39 1HD2
19 B ASN 39 2HD2
19 B ASN 48 1HD2
19 B ASN 48 2HD2
19 B ASN 55 1HD2
19 B ASN 55 2HD2
19 B GLN 70 1HE2
19 B GLN 70 2HE2
19 B ASN 80 1HD2
19 B ASN 80 2HD2
20 A ASN 16 1HD2
20 A ASN 16 2HD2
20 A ASN 20 1HD2
20 A ASN 20 2HD2
20 A GLN 21 1HE2
20 A GLN 21 2HE2
20 A ASN 32 1HD2
20 A ASN 32 2HD2
20 A ASN 39 1HD2
20 A ASN 39 2HD2
20 A ASN 48 1HD2
20 A ASN 48 2HD2
20 A ASN 55 1HD2
20 A ASN 55 2HD2
20 A GLN 70 1HE2
20 A GLN 70 2HE2
20 A ASN 80 1HD2
20 A ASN 80 2HD2
20 B ASN 16 1HD2
20 B ASN 16 2HD2
20 B ASN 20 1HD2
20 B ASN 20 2HD2
20 B GLN 21 1HE2
20 B GLN 21 2HE2
20 B ASN 32 1HD2
20 B ASN 32 2HD2
20 B ASN 39 1HD2
20 B ASN 39 2HD2
20 B ASN 48 1HD2
20 B ASN 48 2HD2
20 B ASN 55 1HD2
20 B ASN 55 2HD2
20 B GLN 70 1HE2
20 B GLN 70 2HE2
20 B ASN 80 1HD2
20 B ASN 80 2HD2
OTHER IMPORTANT ISSUES
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
ASP( 1 A 3) HD2
GLU( 1 A 13) HE2
ASP( 1 A 14) HD2
ASP( 1 A 30) HD2
ASP( 1 A 42) HD2
ASP( 1 A 57) HD2
ASP( 1 A 64) HD2
GLU( 1 A 76) HE2
GLU( 1 A 82) HE2
HIS( 1 A 83) HD1
HIS( 1 A 84) HE2
HIS( 1 A 85) HE2
HIS( 1 A 86) HD1
HIS( 1 A 87) HD1
HIS( 1 A 88) HE2
ASP( 1 B 3) HD2
GLU( 1 B 13) HE2
ASP( 1 B 14) HD2
ASP( 1 B 30) HD2
ASP( 1 B 42) HD2
ASP( 1 B 57) HD2
ASP( 1 B 64) HD2
GLU( 1 B 76) HE2
GLU( 1 B 82) HE2
HIS( 1 B 83) HD1
HIS( 1 B 84) HE2
HIS( 1 B 85) HE2
HIS( 1 B 86) HD1
HIS( 1 B 87) HD1
HIS( 1 B 88) HE2
ASP( 2 A 3) HD2
GLU( 2 A 13) HE2
ASP( 2 A 14) HD2
ASP( 2 A 30) HD2
ASP( 2 A 42) HD2
ASP( 2 A 57) HD2
ASP( 2 A 64) HD2
GLU( 2 A 76) HE2
GLU( 2 A 82) HE2
HIS( 2 A 83) HD1
HIS( 2 A 84) HD1
HIS( 2 A 85) HD1
HIS( 2 A 86) HE2
HIS( 2 A 87) HE2
HIS( 2 A 88) HE2
ASP( 2 B 3) HD2
GLU( 2 B 13) HE2
ASP( 2 B 14) HD2
ASP( 2 B 30) HD2
ASP( 2 B 42) HD2
ASP( 2 B 57) HD2
ASP( 2 B 64) HD2
GLU( 2 B 76) HE2
GLU( 2 B 82) HE2
HIS( 2 B 83) HD1
HIS( 2 B 84) HD1
HIS( 2 B 85) HD1
HIS( 2 B 86) HE2
HIS( 2 B 87) HE2
HIS( 2 B 88) HE2
ASP( 3 A 3) HD2
GLU( 3 A 13) HE2
ASP( 3 A 14) HD2
ASP( 3 A 30) HD2
ASP( 3 A 42) HD2
ASP( 3 A 57) HD2
ASP( 3 A 64) HD2
GLU( 3 A 76) HE2
GLU( 3 A 82) HE2
HIS( 3 A 83) HD1
HIS( 3 A 84) HD1
HIS( 3 A 85) HE2
HIS( 3 A 86) HE2
HIS( 3 A 87) HE2
HIS( 3 A 88) HE2
ASP( 3 B 3) HD2
GLU( 3 B 13) HE2
ASP( 3 B 14) HD2
ASP( 3 B 30) HD2
ASP( 3 B 42) HD2
ASP( 3 B 57) HD2
ASP( 3 B 64) HD2
GLU( 3 B 76) HE2
GLU( 3 B 82) HE2
HIS( 3 B 83) HD1
HIS( 3 B 84) HD1
HIS( 3 B 85) HE2
HIS( 3 B 86) HE2
HIS( 3 B 87) HE2
HIS( 3 B 88) HE2
ASP( 4 A 3) HD2
GLU( 4 A 13) HE2
ASP( 4 A 14) HD2
ASP( 4 A 30) HD2
ASP( 4 A 42) HD2
ASP( 4 A 57) HD2
ASP( 4 A 64) HD2
GLU( 4 A 76) HE2
GLU( 4 A 82) HE2
HIS( 4 A 83) HE2
HIS( 4 A 84) HD1
HIS( 4 A 85) HE2
HIS( 4 A 86) HE2
HIS( 4 A 87) HD1
HIS( 4 A 88) HD1
ASP( 4 B 3) HD2
GLU( 4 B 13) HE2
ASP( 4 B 14) HD2
ASP( 4 B 30) HD2
ASP( 4 B 42) HD2
ASP( 4 B 57) HD2
ASP( 4 B 64) HD2
GLU( 4 B 76) HE2
GLU( 4 B 82) HE2
HIS( 4 B 83) HE2
HIS( 4 B 84) HD1
HIS( 4 B 85) HE2
HIS( 4 B 86) HE2
HIS( 4 B 87) HD1
HIS( 4 B 88) HD1
ASP( 5 A 3) HD2
GLU( 5 A 13) HE2
ASP( 5 A 14) HD2
ASP( 5 A 30) HD2
ASP( 5 A 42) HD2
ASP( 5 A 57) HD2
ASP( 5 A 64) HD2
GLU( 5 A 76) HE2
GLU( 5 A 82) HE2
HIS( 5 A 83) HD1
HIS( 5 A 84) HE2
HIS( 5 A 85) HE2
HIS( 5 A 86) HE2
HIS( 5 A 87) HE2
HIS( 5 A 88) HE2
ASP( 5 B 3) HD2
GLU( 5 B 13) HE2
ASP( 5 B 14) HD2
ASP( 5 B 30) HD2
ASP( 5 B 42) HD2
ASP( 5 B 57) HD2
ASP( 5 B 64) HD2
GLU( 5 B 76) HE2
GLU( 5 B 82) HE2
HIS( 5 B 83) HD1
HIS( 5 B 84) HE2
HIS( 5 B 85) HE2
HIS( 5 B 86) HE2
HIS( 5 B 87) HE2
HIS( 5 B 88) HE2
ASP( 6 A 3) HD2
GLU( 6 A 13) HE2
ASP( 6 A 14) HD2
ASP( 6 A 30) HD2
ASP( 6 A 42) HD2
ASP( 6 A 57) HD2
ASP( 6 A 64) HD2
GLU( 6 A 76) HE2
GLU( 6 A 82) HE2
HIS( 6 A 83) HD1
HIS( 6 A 84) HE2
HIS( 6 A 85) HE2
HIS( 6 A 86) HD1
HIS( 6 A 87) HD1
HIS( 6 A 88) HE2
ASP( 6 B 3) HD2
GLU( 6 B 13) HE2
ASP( 6 B 14) HD2
ASP( 6 B 30) HD2
ASP( 6 B 42) HD2
ASP( 6 B 57) HD2
ASP( 6 B 64) HD2
GLU( 6 B 76) HE2
GLU( 6 B 82) HE2
HIS( 6 B 83) HD1
HIS( 6 B 84) HE2
HIS( 6 B 85) HE2
HIS( 6 B 86) HD1
HIS( 6 B 87) HD1
HIS( 6 B 88) HE2
ASP( 7 A 3) HD2
GLU( 7 A 13) HE2
ASP( 7 A 14) HD2
ASP( 7 A 30) HD2
ASP( 7 A 42) HD2
ASP( 7 A 57) HD2
ASP( 7 A 64) HD2
GLU( 7 A 76) HE2
GLU( 7 A 82) HE2
HIS( 7 A 83) HD1
HIS( 7 A 84) HD1
HIS( 7 A 85) HD1
HIS( 7 A 86) HD1
HIS( 7 A 87) HE2
HIS( 7 A 88) HD1
ASP( 7 B 3) HD2
GLU( 7 B 13) HE2
ASP( 7 B 14) HD2
ASP( 7 B 30) HD2
ASP( 7 B 42) HD2
ASP( 7 B 57) HD2
ASP( 7 B 64) HD2
GLU( 7 B 76) HE2
GLU( 7 B 82) HE2
HIS( 7 B 83) HD1
HIS( 7 B 84) HD1
HIS( 7 B 85) HD1
HIS( 7 B 86) HD1
HIS( 7 B 87) HE2
HIS( 7 B 88) HD1
ASP( 8 A 3) HD2
GLU( 8 A 13) HE2
ASP( 8 A 14) HD2
ASP( 8 A 30) HD2
ASP( 8 A 42) HD2
ASP( 8 A 57) HD2
ASP( 8 A 64) HD2
GLU( 8 A 76) HE2
GLU( 8 A 82) HE2
HIS( 8 A 83) HD1
HIS( 8 A 84) HD1
HIS( 8 A 85) HD1
HIS( 8 A 86) HE2
HIS( 8 A 87) HD1
HIS( 8 A 88) HE2
ASP( 8 B 3) HD2
GLU( 8 B 13) HE2
ASP( 8 B 14) HD2
ASP( 8 B 30) HD2
ASP( 8 B 42) HD2
ASP( 8 B 57) HD2
ASP( 8 B 64) HD2
GLU( 8 B 76) HE2
GLU( 8 B 82) HE2
HIS( 8 B 83) HD1
HIS( 8 B 84) HD1
HIS( 8 B 85) HD1
HIS( 8 B 86) HE2
HIS( 8 B 87) HD1
HIS( 8 B 88) HE2
ASP( 9 A 3) HD2
GLU( 9 A 13) HE2
ASP( 9 A 14) HD2
ASP( 9 A 30) HD2
ASP( 9 A 42) HD2
ASP( 9 A 57) HD2
ASP( 9 A 64) HD2
GLU( 9 A 76) HE2
GLU( 9 A 82) HE2
HIS( 9 A 83) HD1
HIS( 9 A 84) HE2
HIS( 9 A 85) HE2
HIS( 9 A 86) HE2
HIS( 9 A 87) HE2
HIS( 9 A 88) HE2
ASP( 9 B 3) HD2
GLU( 9 B 13) HE2
ASP( 9 B 14) HD2
ASP( 9 B 30) HD2
ASP( 9 B 42) HD2
ASP( 9 B 57) HD2
ASP( 9 B 64) HD2
GLU( 9 B 76) HE2
GLU( 9 B 82) HE2
HIS( 9 B 83) HD1
HIS( 9 B 84) HE2
HIS( 9 B 85) HE2
HIS( 9 B 86) HE2
HIS( 9 B 87) HE2
HIS( 9 B 88) HE2
ASP( 10 A 3) HD2
GLU( 10 A 13) HE2
ASP( 10 A 14) HD2
ASP( 10 A 30) HD2
ASP( 10 A 42) HD2
ASP( 10 A 57) HD2
ASP( 10 A 64) HD2
GLU( 10 A 76) HE2
GLU( 10 A 82) HE2
HIS( 10 A 83) HD1
HIS( 10 A 84) HD1
HIS( 10 A 85) HD1
HIS( 10 A 86) HE2
HIS( 10 A 87) HD1
HIS( 10 A 88) HD1
ASP( 10 B 3) HD2
GLU( 10 B 13) HE2
ASP( 10 B 14) HD2
ASP( 10 B 30) HD2
ASP( 10 B 42) HD2
ASP( 10 B 57) HD2
ASP( 10 B 64) HD2
GLU( 10 B 76) HE2
GLU( 10 B 82) HE2
HIS( 10 B 83) HD1
HIS( 10 B 84) HD1
HIS( 10 B 85) HD1
HIS( 10 B 86) HE2
HIS( 10 B 87) HD1
HIS( 10 B 88) HD1
ASP( 11 A 3) HD2
GLU( 11 A 13) HE2
ASP( 11 A 14) HD2
ASP( 11 A 30) HD2
ASP( 11 A 42) HD2
ASP( 11 A 57) HD2
ASP( 11 A 64) HD2
GLU( 11 A 76) HE2
GLU( 11 A 82) HE2
HIS( 11 A 83) HD1
HIS( 11 A 84) HE2
HIS( 11 A 85) HD1
HIS( 11 A 86) HD1
HIS( 11 A 87) HE2
HIS( 11 A 88) HD1
ASP( 11 B 3) HD2
GLU( 11 B 13) HE2
ASP( 11 B 14) HD2
ASP( 11 B 30) HD2
ASP( 11 B 42) HD2
ASP( 11 B 57) HD2
ASP( 11 B 64) HD2
GLU( 11 B 76) HE2
GLU( 11 B 82) HE2
HIS( 11 B 83) HD1
HIS( 11 B 84) HE2
HIS( 11 B 85) HD1
HIS( 11 B 86) HD1
HIS( 11 B 87) HE2
HIS( 11 B 88) HD1
ASP( 12 A 3) HD2
GLU( 12 A 13) HE2
ASP( 12 A 14) HD2
ASP( 12 A 30) HD2
ASP( 12 A 42) HD2
ASP( 12 A 57) HD2
ASP( 12 A 64) HD2
GLU( 12 A 76) HE2
GLU( 12 A 82) HE2
HIS( 12 A 83) HD1
HIS( 12 A 84) HE2
HIS( 12 A 85) HE2
HIS( 12 A 86) HE2
HIS( 12 A 87) HE2
HIS( 12 A 88) HE2
ASP( 12 B 3) HD2
GLU( 12 B 13) HE2
ASP( 12 B 14) HD2
ASP( 12 B 30) HD2
ASP( 12 B 42) HD2
ASP( 12 B 57) HD2
ASP( 12 B 64) HD2
GLU( 12 B 76) HE2
GLU( 12 B 82) HE2
HIS( 12 B 83) HD1
HIS( 12 B 84) HE2
HIS( 12 B 85) HE2
HIS( 12 B 86) HE2
HIS( 12 B 87) HE2
HIS( 12 B 88) HE2
ASP( 13 A 3) HD2
GLU( 13 A 13) HE2
ASP( 13 A 14) HD2
ASP( 13 A 30) HD2
ASP( 13 A 42) HD2
ASP( 13 A 57) HD2
ASP( 13 A 64) HD2
GLU( 13 A 76) HE2
GLU( 13 A 82) HE2
HIS( 13 A 83) HD1
HIS( 13 A 84) HE2
HIS( 13 A 85) HD1
HIS( 13 A 86) HD1
HIS( 13 A 87) HD1
HIS( 13 A 88) HE2
ASP( 13 B 3) HD2
GLU( 13 B 13) HE2
ASP( 13 B 14) HD2
ASP( 13 B 30) HD2
ASP( 13 B 42) HD2
ASP( 13 B 57) HD2
ASP( 13 B 64) HD2
GLU( 13 B 76) HE2
GLU( 13 B 82) HE2
HIS( 13 B 83) HD1
HIS( 13 B 84) HE2
HIS( 13 B 85) HD1
HIS( 13 B 86) HD1
HIS( 13 B 87) HD1
HIS( 13 B 88) HE2
ASP( 14 A 3) HD2
GLU( 14 A 13) HE2
ASP( 14 A 14) HD2
ASP( 14 A 30) HD2
ASP( 14 A 42) HD2
ASP( 14 A 57) HD2
ASP( 14 A 64) HD2
GLU( 14 A 76) HE2
GLU( 14 A 82) HE2
HIS( 14 A 83) HD1
HIS( 14 A 84) HD1
HIS( 14 A 85) HE2
HIS( 14 A 86) HD1
HIS( 14 A 87) HD1
HIS( 14 A 88) HD1
ASP( 14 B 3) HD2
GLU( 14 B 13) HE2
ASP( 14 B 14) HD2
ASP( 14 B 30) HD2
ASP( 14 B 42) HD2
ASP( 14 B 57) HD2
ASP( 14 B 64) HD2
GLU( 14 B 76) HE2
GLU( 14 B 82) HE2
HIS( 14 B 83) HD1
HIS( 14 B 84) HD1
HIS( 14 B 85) HE2
HIS( 14 B 86) HD1
HIS( 14 B 87) HD1
HIS( 14 B 88) HD1
ASP( 15 A 3) HD2
GLU( 15 A 13) HE2
ASP( 15 A 14) HD2
ASP( 15 A 30) HD2
ASP( 15 A 42) HD2
ASP( 15 A 57) HD2
ASP( 15 A 64) HD2
GLU( 15 A 76) HE2
GLU( 15 A 82) HE2
HIS( 15 A 83) HE2
HIS( 15 A 84) HD1
HIS( 15 A 85) HE2
HIS( 15 A 86) HD1
HIS( 15 A 87) HD1
HIS( 15 A 88) HE2
ASP( 15 B 3) HD2
GLU( 15 B 13) HE2
ASP( 15 B 14) HD2
ASP( 15 B 30) HD2
ASP( 15 B 42) HD2
ASP( 15 B 57) HD2
ASP( 15 B 64) HD2
GLU( 15 B 76) HE2
GLU( 15 B 82) HE2
HIS( 15 B 83) HE2
HIS( 15 B 84) HD1
HIS( 15 B 85) HE2
HIS( 15 B 86) HD1
HIS( 15 B 87) HD1
HIS( 15 B 88) HE2
ASP( 16 A 3) HD2
GLU( 16 A 13) HE2
ASP( 16 A 14) HD2
ASP( 16 A 30) HD2
ASP( 16 A 42) HD2
ASP( 16 A 57) HD2
ASP( 16 A 64) HD2
GLU( 16 A 76) HE2
GLU( 16 A 82) HE2
HIS( 16 A 83) HD1
HIS( 16 A 84) HE2
HIS( 16 A 85) HE2
HIS( 16 A 86) HE2
HIS( 16 A 87) HE2
HIS( 16 A 88) HE2
ASP( 16 B 3) HD2
GLU( 16 B 13) HE2
ASP( 16 B 14) HD2
ASP( 16 B 30) HD2
ASP( 16 B 42) HD2
ASP( 16 B 57) HD2
ASP( 16 B 64) HD2
GLU( 16 B 76) HE2
GLU( 16 B 82) HE2
HIS( 16 B 83) HD1
HIS( 16 B 84) HE2
HIS( 16 B 85) HE2
HIS( 16 B 86) HE2
HIS( 16 B 87) HE2
HIS( 16 B 88) HE2
ASP( 17 A 3) HD2
GLU( 17 A 13) HE2
ASP( 17 A 14) HD2
ASP( 17 A 30) HD2
ASP( 17 A 42) HD2
ASP( 17 A 57) HD2
ASP( 17 A 64) HD2
GLU( 17 A 76) HE2
GLU( 17 A 82) HE2
HIS( 17 A 83) HD1
HIS( 17 A 84) HE2
HIS( 17 A 85) HE2
HIS( 17 A 86) HE2
HIS( 17 A 87) HD1
HIS( 17 A 88) HE2
ASP( 17 B 3) HD2
GLU( 17 B 13) HE2
ASP( 17 B 14) HD2
ASP( 17 B 30) HD2
ASP( 17 B 42) HD2
ASP( 17 B 57) HD2
ASP( 17 B 64) HD2
GLU( 17 B 76) HE2
GLU( 17 B 82) HE2
HIS( 17 B 83) HD1
HIS( 17 B 84) HE2
HIS( 17 B 85) HE2
HIS( 17 B 86) HE2
HIS( 17 B 87) HD1
HIS( 17 B 88) HE2
ASP( 18 A 3) HD2
GLU( 18 A 13) HE2
ASP( 18 A 14) HD2
ASP( 18 A 30) HD2
ASP( 18 A 42) HD2
ASP( 18 A 57) HD2
ASP( 18 A 64) HD2
GLU( 18 A 76) HE2
GLU( 18 A 82) HE2
HIS( 18 A 83) HD1
HIS( 18 A 84) HE2
HIS( 18 A 85) HE2
HIS( 18 A 86) HD1
HIS( 18 A 87) HD1
HIS( 18 A 88) HD1
ASP( 18 B 3) HD2
GLU( 18 B 13) HE2
ASP( 18 B 14) HD2
ASP( 18 B 30) HD2
ASP( 18 B 42) HD2
ASP( 18 B 57) HD2
ASP( 18 B 64) HD2
GLU( 18 B 76) HE2
GLU( 18 B 82) HE2
HIS( 18 B 83) HD1
HIS( 18 B 84) HE2
HIS( 18 B 85) HE2
HIS( 18 B 86) HD1
HIS( 18 B 87) HD1
HIS( 18 B 88) HD1
ASP( 19 A 3) HD2
GLU( 19 A 13) HE2
ASP( 19 A 14) HD2
ASP( 19 A 30) HD2
ASP( 19 A 42) HD2
ASP( 19 A 57) HD2
ASP( 19 A 64) HD2
GLU( 19 A 76) HE2
GLU( 19 A 82) HE2
HIS( 19 A 83) HE2
HIS( 19 A 84) HD1
HIS( 19 A 85) HD1
HIS( 19 A 86) HE2
HIS( 19 A 87) HE2
HIS( 19 A 88) HD1
ASP( 19 B 3) HD2
GLU( 19 B 13) HE2
ASP( 19 B 14) HD2
ASP( 19 B 30) HD2
ASP( 19 B 42) HD2
ASP( 19 B 57) HD2
ASP( 19 B 64) HD2
GLU( 19 B 76) HE2
GLU( 19 B 82) HE2
HIS( 19 B 83) HE2
HIS( 19 B 84) HD1
HIS( 19 B 85) HD1
HIS( 19 B 86) HE2
HIS( 19 B 87) HE2
HIS( 19 B 88) HD1
ASP( 20 A 3) HD2
GLU( 20 A 13) HE2
ASP( 20 A 14) HD2
ASP( 20 A 30) HD2
ASP( 20 A 42) HD2
ASP( 20 A 57) HD2
ASP( 20 A 64) HD2
GLU( 20 A 76) HE2
GLU( 20 A 82) HE2
HIS( 20 A 83) HD1
HIS( 20 A 84) HE2
HIS( 20 A 85) HD1
HIS( 20 A 86) HD1
HIS( 20 A 87) HD1
HIS( 20 A 88) HE2
ASP( 20 B 3) HD2
GLU( 20 B 13) HE2
ASP( 20 B 14) HD2
ASP( 20 B 30) HD2
ASP( 20 B 42) HD2
ASP( 20 B 57) HD2
ASP( 20 B 64) HD2
GLU( 20 B 76) HE2
GLU( 20 B 82) HE2
HIS( 20 B 83) HD1
HIS( 20 B 84) HE2
HIS( 20 B 85) HD1
HIS( 20 B 86) HD1
HIS( 20 B 87) HD1
HIS( 20 B 88) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 88) O2
HIS( 1 B 88) O2
HIS( 2 A 88) O2
HIS( 2 B 88) O2
HIS( 3 A 88) O2
HIS( 3 B 88) O2
HIS( 4 A 88) O2
HIS( 4 B 88) O2
HIS( 5 A 88) O2
HIS( 5 B 88) O2
HIS( 6 A 88) O2
HIS( 6 B 88) O2
HIS( 7 A 88) O2
HIS( 7 B 88) O2
HIS( 8 A 88) O2
HIS( 8 B 88) O2
HIS( 9 A 88) O2
HIS( 9 B 88) O2
HIS( 10 A 88) O2
HIS( 10 B 88) O2
HIS( 11 A 88) O2
HIS( 11 B 88) O2
HIS( 12 A 88) O2
HIS( 12 B 88) O2
HIS( 13 A 88) O2
HIS( 13 B 88) O2
HIS( 14 A 88) O2
HIS( 14 B 88) O2
HIS( 15 A 88) O2
HIS( 15 B 88) O2
HIS( 16 A 88) O2
HIS( 16 B 88) O2
HIS( 17 A 88) O2
HIS( 17 B 88) O2
HIS( 18 A 88) O2
HIS( 18 B 88) O2
HIS( 19 A 88) O2
HIS( 19 B 88) O2
HIS( 20 A 88) O2
HIS( 20 B 88) O2
CTR148A_R3Cons_em_bcr3.pdb: Missing KEYWDS records
CTR148A_R3Cons_em_bcr3.pdb: Missing TITLE record