NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
9182 |
1nhn   |
cing | 1-original | 1 | MR format | nomenclature mapping |
H atom name in entry Original H atom name
H ASN 3 HN ASN 3
HA ASN 3 HA ASN 3
1HB ASN 3 HB1 ASN 3
2HB ASN 3 HB2 ASN 3
1HD2 ASN 3 HD21 ASN 3
2HD2 ASN 3 HD22 ASN 3
H ALA 4 HN ALA 4
HA ALA 4 HA ALA 4
1HB ALA 4 HB1 ALA 4
2HB ALA 4 HB2 ALA 4
3HB ALA 4 HB3 ALA 4
HA PRO 5 HA PRO 5
1HB PRO 5 HB1 PRO 5
2HB PRO 5 HB2 PRO 5
1HG PRO 5 HG1 PRO 5
2HG PRO 5 HG2 PRO 5
1HD PRO 5 HD1 PRO 5
2HD PRO 5 HD2 PRO 5
H LYS 6 HN LYS 6
HA LYS 6 HA LYS 6
1HB LYS 6 HB1 LYS 6
2HB LYS 6 HB2 LYS 6
1HG LYS 6 HG1 LYS 6
2HG LYS 6 HG2 LYS 6
1HD LYS 6 HD1 LYS 6
2HD LYS 6 HD2 LYS 6
1HE LYS 6 HE1 LYS 6
2HE LYS 6 HE2 LYS 6
1HZ LYS 6 HZ1 LYS 6
2HZ LYS 6 HZ2 LYS 6
3HZ LYS 6 HZ3 LYS 6
NH1 ARG 7 NH1 ARG 7
NH2 ARG 7 NH2 ARG 7
H ARG 7 HN ARG 7
HA ARG 7 HA ARG 7
1HB ARG 7 HB1 ARG 7
2HB ARG 7 HB2 ARG 7
1HG ARG 7 HG1 ARG 7
2HG ARG 7 HG2 ARG 7
1HD ARG 7 HD1 ARG 7
2HD ARG 7 HD2 ARG 7
HE ARG 7 HE ARG 7
1HH1 ARG 7 HH11 ARG 7
2HH1 ARG 7 HH12 ARG 7
1HH2 ARG 7 HH21 ARG 7
2HH2 ARG 7 HH22 ARG 7
HA PRO 8 HA PRO 8
1HB PRO 8 HB1 PRO 8
2HB PRO 8 HB2 PRO 8
1HG PRO 8 HG1 PRO 8
2HG PRO 8 HG2 PRO 8
1HD PRO 8 HD1 PRO 8
2HD PRO 8 HD2 PRO 8
HA PRO 9 HA PRO 9
1HB PRO 9 HB1 PRO 9
2HB PRO 9 HB2 PRO 9
1HG PRO 9 HG1 PRO 9
2HG PRO 9 HG2 PRO 9
1HD PRO 9 HD1 PRO 9
2HD PRO 9 HD2 PRO 9
H SER 10 HN SER 10
HA SER 10 HA SER 10
1HB SER 10 HB1 SER 10
2HB SER 10 HB2 SER 10
HG SER 10 HG SER 10
H ALA 11 HN ALA 11
HA ALA 11 HA ALA 11
1HB ALA 11 HB1 ALA 11
2HB ALA 11 HB2 ALA 11
3HB ALA 11 HB3 ALA 11
H PHE 12 HN PHE 12
HA PHE 12 HA PHE 12
1HB PHE 12 HB1 PHE 12
2HB PHE 12 HB2 PHE 12
HD1 PHE 12 HD1 PHE 12
HD2 PHE 12 HD2 PHE 12
HE1 PHE 12 HE1 PHE 12
HE2 PHE 12 HE2 PHE 12
HZ PHE 12 HZ PHE 12
H PHE 13 HN PHE 13
HA PHE 13 HA PHE 13
1HB PHE 13 HB1 PHE 13
2HB PHE 13 HB2 PHE 13
HD1 PHE 13 HD1 PHE 13
HD2 PHE 13 HD2 PHE 13
HE1 PHE 13 HE1 PHE 13
HE2 PHE 13 HE2 PHE 13
HZ PHE 13 HZ PHE 13
H LEU 14 HN LEU 14
HA LEU 14 HA LEU 14
1HB LEU 14 HB1 LEU 14
2HB LEU 14 HB2 LEU 14
HG LEU 14 HG LEU 14
1HD1 LEU 14 HD11 LEU 14
2HD1 LEU 14 HD12 LEU 14
3HD1 LEU 14 HD13 LEU 14
1HD2 LEU 14 HD21 LEU 14
2HD2 LEU 14 HD22 LEU 14
3HD2 LEU 14 HD23 LEU 14
H PHE 15 HN PHE 15
HA PHE 15 HA PHE 15
1HB PHE 15 HB1 PHE 15
2HB PHE 15 HB2 PHE 15
HD1 PHE 15 HD1 PHE 15
HD2 PHE 15 HD2 PHE 15
HE1 PHE 15 HE1 PHE 15
HE2 PHE 15 HE2 PHE 15
HZ PHE 15 HZ PHE 15
H CYS 16 HN CYS 16
HA CYS 16 HA CYS 16
1HB CYS 16 HB1 CYS 16
2HB CYS 16 HB2 CYS 16
HG CYS 16 HG CYS 16
H SER 17 HN SER 17
HA SER 17 HA SER 17
1HB SER 17 HB1 SER 17
2HB SER 17 HB2 SER 17
HG SER 17 HG SER 17
H GLU 18 HN GLU 18
HA GLU 18 HA GLU 18
1HB GLU 18 HB1 GLU 18
2HB GLU 18 HB2 GLU 18
1HG GLU 18 HG1 GLU 18
2HG GLU 18 HG2 GLU 18
OH TYR 19 OH TYR 19
H TYR 19 HN TYR 19
HA TYR 19 HA TYR 19
1HB TYR 19 HB1 TYR 19
2HB TYR 19 HB2 TYR 19
HD1 TYR 19 HD1 TYR 19
HD2 TYR 19 HD2 TYR 19
HE1 TYR 19 HE1 TYR 19
HE2 TYR 19 HE2 TYR 19
HH TYR 19 HH TYR 19
NH1 ARG 20 NH1 ARG 20
NH2 ARG 20 NH2 ARG 20
H ARG 20 HN ARG 20
HA ARG 20 HA ARG 20
1HB ARG 20 HB1 ARG 20
2HB ARG 20 HB2 ARG 20
1HG ARG 20 HG1 ARG 20
2HG ARG 20 HG2 ARG 20
1HD ARG 20 HD1 ARG 20
2HD ARG 20 HD2 ARG 20
HE ARG 20 HE ARG 20
1HH1 ARG 20 HH11 ARG 20
2HH1 ARG 20 HH12 ARG 20
1HH2 ARG 20 HH21 ARG 20
2HH2 ARG 20 HH22 ARG 20
HA PRO 21 HA PRO 21
1HB PRO 21 HB1 PRO 21
2HB PRO 21 HB2 PRO 21
1HG PRO 21 HG1 PRO 21
2HG PRO 21 HG2 PRO 21
1HD PRO 21 HD1 PRO 21
2HD PRO 21 HD2 PRO 21
H LYS 22 HN LYS 22
HA LYS 22 HA LYS 22
1HB LYS 22 HB1 LYS 22
2HB LYS 22 HB2 LYS 22
1HG LYS 22 HG1 LYS 22
2HG LYS 22 HG2 LYS 22
1HD LYS 22 HD1 LYS 22
2HD LYS 22 HD2 LYS 22
1HE LYS 22 HE1 LYS 22
2HE LYS 22 HE2 LYS 22
1HZ LYS 22 HZ1 LYS 22
2HZ LYS 22 HZ2 LYS 22
3HZ LYS 22 HZ3 LYS 22
H ILE 23 HN ILE 23
HA ILE 23 HA ILE 23
HB ILE 23 HB ILE 23
1HG1 ILE 23 HG11 ILE 23
2HG1 ILE 23 HG12 ILE 23
1HG2 ILE 23 HG21 ILE 23
2HG2 ILE 23 HG22 ILE 23
3HG2 ILE 23 HG23 ILE 23
1HD1 ILE 23 HD11 ILE 23
2HD1 ILE 23 HD12 ILE 23
3HD1 ILE 23 HD13 ILE 23
H LYS 24 HN LYS 24
HA LYS 24 HA LYS 24
1HB LYS 24 HB1 LYS 24
2HB LYS 24 HB2 LYS 24
1HG LYS 24 HG1 LYS 24
2HG LYS 24 HG2 LYS 24
1HD LYS 24 HD1 LYS 24
2HD LYS 24 HD2 LYS 24
1HE LYS 24 HE1 LYS 24
2HE LYS 24 HE2 LYS 24
1HZ LYS 24 HZ1 LYS 24
2HZ LYS 24 HZ2 LYS 24
3HZ LYS 24 HZ3 LYS 24
H GLY 25 HN GLY 25
1HA GLY 25 HA1 GLY 25
2HA GLY 25 HA2 GLY 25
H GLU 26 HN GLU 26
HA GLU 26 HA GLU 26
1HB GLU 26 HB1 GLU 26
2HB GLU 26 HB2 GLU 26
1HG GLU 26 HG1 GLU 26
2HG GLU 26 HG2 GLU 26
H HIS 27 HN HIS 27
HA HIS 27 HA HIS 27
1HB HIS 27 HB1 HIS 27
2HB HIS 27 HB2 HIS 27
HD1 HIS 27 HD1 HIS 27
HD2 HIS 27 HD2 HIS 27
HE1 HIS 27 HE1 HIS 27
HA PRO 28 HA PRO 28
1HB PRO 28 HB1 PRO 28
2HB PRO 28 HB2 PRO 28
1HG PRO 28 HG1 PRO 28
2HG PRO 28 HG2 PRO 28
1HD PRO 28 HD1 PRO 28
2HD PRO 28 HD2 PRO 28
H GLY 29 HN GLY 29
1HA GLY 29 HA1 GLY 29
2HA GLY 29 HA2 GLY 29
H LEU 30 HN LEU 30
HA LEU 30 HA LEU 30
1HB LEU 30 HB1 LEU 30
2HB LEU 30 HB2 LEU 30
HG LEU 30 HG LEU 30
1HD1 LEU 30 HD11 LEU 30
2HD1 LEU 30 HD12 LEU 30
3HD1 LEU 30 HD13 LEU 30
1HD2 LEU 30 HD21 LEU 30
2HD2 LEU 30 HD22 LEU 30
3HD2 LEU 30 HD23 LEU 30
H SER 31 HN SER 31
HA SER 31 HA SER 31
1HB SER 31 HB1 SER 31
2HB SER 31 HB2 SER 31
HG SER 31 HG SER 31
H ILE 32 HN ILE 32
HA ILE 32 HA ILE 32
HB ILE 32 HB ILE 32
1HG1 ILE 32 HG11 ILE 32
2HG1 ILE 32 HG12 ILE 32
1HG2 ILE 32 HG21 ILE 32
2HG2 ILE 32 HG22 ILE 32
3HG2 ILE 32 HG23 ILE 32
1HD1 ILE 32 HD11 ILE 32
2HD1 ILE 32 HD12 ILE 32
3HD1 ILE 32 HD13 ILE 32
H GLY 33 HN GLY 33
1HA GLY 33 HA1 GLY 33
2HA GLY 33 HA2 GLY 33
H ASP 34 HN ASP 34
HA ASP 34 HA ASP 34
1HB ASP 34 HB1 ASP 34
2HB ASP 34 HB2 ASP 34
H VAL 35 HN VAL 35
HA VAL 35 HA VAL 35
HB VAL 35 HB VAL 35
1HG1 VAL 35 HG11 VAL 35
2HG1 VAL 35 HG12 VAL 35
3HG1 VAL 35 HG13 VAL 35
1HG2 VAL 35 HG21 VAL 35
2HG2 VAL 35 HG22 VAL 35
3HG2 VAL 35 HG23 VAL 35
H ALA 36 HN ALA 36
HA ALA 36 HA ALA 36
1HB ALA 36 HB1 ALA 36
2HB ALA 36 HB2 ALA 36
3HB ALA 36 HB3 ALA 36
H LYS 37 HN LYS 37
HA LYS 37 HA LYS 37
1HB LYS 37 HB1 LYS 37
2HB LYS 37 HB2 LYS 37
1HG LYS 37 HG1 LYS 37
2HG LYS 37 HG2 LYS 37
1HD LYS 37 HD1 LYS 37
2HD LYS 37 HD2 LYS 37
1HE LYS 37 HE1 LYS 37
2HE LYS 37 HE2 LYS 37
1HZ LYS 37 HZ1 LYS 37
2HZ LYS 37 HZ2 LYS 37
3HZ LYS 37 HZ3 LYS 37
H LYS 38 HN LYS 38
HA LYS 38 HA LYS 38
1HB LYS 38 HB1 LYS 38
2HB LYS 38 HB2 LYS 38
1HG LYS 38 HG1 LYS 38
2HG LYS 38 HG2 LYS 38
1HD LYS 38 HD1 LYS 38
2HD LYS 38 HD2 LYS 38
1HE LYS 38 HE1 LYS 38
2HE LYS 38 HE2 LYS 38
1HZ LYS 38 HZ1 LYS 38
2HZ LYS 38 HZ2 LYS 38
3HZ LYS 38 HZ3 LYS 38
H LEU 39 HN LEU 39
HA LEU 39 HA LEU 39
1HB LEU 39 HB1 LEU 39
2HB LEU 39 HB2 LEU 39
HG LEU 39 HG LEU 39
1HD1 LEU 39 HD11 LEU 39
2HD1 LEU 39 HD12 LEU 39
3HD1 LEU 39 HD13 LEU 39
1HD2 LEU 39 HD21 LEU 39
2HD2 LEU 39 HD22 LEU 39
3HD2 LEU 39 HD23 LEU 39
H GLY 40 HN GLY 40
1HA GLY 40 HA1 GLY 40
2HA GLY 40 HA2 GLY 40
H GLU 41 HN GLU 41
HA GLU 41 HA GLU 41
1HB GLU 41 HB1 GLU 41
2HB GLU 41 HB2 GLU 41
1HG GLU 41 HG1 GLU 41
2HG GLU 41 HG2 GLU 41
H MET 42 HN MET 42
HA MET 42 HA MET 42
1HB MET 42 HB1 MET 42
2HB MET 42 HB2 MET 42
1HG MET 42 HG1 MET 42
2HG MET 42 HG2 MET 42
1HE MET 42 HE1 MET 42
2HE MET 42 HE2 MET 42
3HE MET 42 HE3 MET 42
H TRP 43 HN TRP 43
HA TRP 43 HA TRP 43
1HB TRP 43 HB1 TRP 43
2HB TRP 43 HB2 TRP 43
HD1 TRP 43 HD1 TRP 43
HE1 TRP 43 HE1 TRP 43
HE3 TRP 43 HE3 TRP 43
HZ2 TRP 43 HZ2 TRP 43
HZ3 TRP 43 HZ3 TRP 43
HH2 TRP 43 HH2 TRP 43
H ASN 44 HN ASN 44
HA ASN 44 HA ASN 44
1HB ASN 44 HB1 ASN 44
2HB ASN 44 HB2 ASN 44
1HD2 ASN 44 HD21 ASN 44
2HD2 ASN 44 HD22 ASN 44
H ASN 45 HN ASN 45
HA ASN 45 HA ASN 45
1HB ASN 45 HB1 ASN 45
2HB ASN 45 HB2 ASN 45
1HD2 ASN 45 HD21 ASN 45
2HD2 ASN 45 HD22 ASN 45
H THR 46 HN THR 46
HA THR 46 HA THR 46
HB THR 46 HB THR 46
HG1 THR 46 HG1 THR 46
1HG2 THR 46 HG21 THR 46
2HG2 THR 46 HG22 THR 46
3HG2 THR 46 HG23 THR 46
H ALA 47 HN ALA 47
HA ALA 47 HA ALA 47
1HB ALA 47 HB1 ALA 47
2HB ALA 47 HB2 ALA 47
3HB ALA 47 HB3 ALA 47
H ALA 48 HN ALA 48
HA ALA 48 HA ALA 48
1HB ALA 48 HB1 ALA 48
2HB ALA 48 HB2 ALA 48
3HB ALA 48 HB3 ALA 48
H ASP 49 HN ASP 49
HA ASP 49 HA ASP 49
1HB ASP 49 HB1 ASP 49
2HB ASP 49 HB2 ASP 49
H ASP 50 HN ASP 50
HA ASP 50 HA ASP 50
1HB ASP 50 HB1 ASP 50
2HB ASP 50 HB2 ASP 50
H LYS 51 HN LYS 51
HA LYS 51 HA LYS 51
1HB LYS 51 HB1 LYS 51
2HB LYS 51 HB2 LYS 51
1HG LYS 51 HG1 LYS 51
2HG LYS 51 HG2 LYS 51
1HD LYS 51 HD1 LYS 51
2HD LYS 51 HD2 LYS 51
1HE LYS 51 HE1 LYS 51
2HE LYS 51 HE2 LYS 51
1HZ LYS 51 HZ1 LYS 51
2HZ LYS 51 HZ2 LYS 51
3HZ LYS 51 HZ3 LYS 51
H GLN 52 HN GLN 52
HA GLN 52 HA GLN 52
1HB GLN 52 HB1 GLN 52
2HB GLN 52 HB2 GLN 52
1HG GLN 52 HG1 GLN 52
2HG GLN 52 HG2 GLN 52
1HE2 GLN 52 HE21 GLN 52
2HE2 GLN 52 HE22 GLN 52
HA PRO 53 HA PRO 53
1HB PRO 53 HB1 PRO 53
2HB PRO 53 HB2 PRO 53
1HG PRO 53 HG1 PRO 53
2HG PRO 53 HG2 PRO 53
1HD PRO 53 HD1 PRO 53
2HD PRO 53 HD2 PRO 53
OH TYR 54 OH TYR 54
H TYR 54 HN TYR 54
HA TYR 54 HA TYR 54
1HB TYR 54 HB1 TYR 54
2HB TYR 54 HB2 TYR 54
HD1 TYR 54 HD1 TYR 54
HD2 TYR 54 HD2 TYR 54
HE1 TYR 54 HE1 TYR 54
HE2 TYR 54 HE2 TYR 54
HH TYR 54 HH TYR 54
H GLU 55 HN GLU 55
HA GLU 55 HA GLU 55
1HB GLU 55 HB1 GLU 55
2HB GLU 55 HB2 GLU 55
1HG GLU 55 HG1 GLU 55
2HG GLU 55 HG2 GLU 55
H LYS 56 HN LYS 56
HA LYS 56 HA LYS 56
1HB LYS 56 HB1 LYS 56
2HB LYS 56 HB2 LYS 56
1HG LYS 56 HG1 LYS 56
2HG LYS 56 HG2 LYS 56
1HD LYS 56 HD1 LYS 56
2HD LYS 56 HD2 LYS 56
1HE LYS 56 HE1 LYS 56
2HE LYS 56 HE2 LYS 56
1HZ LYS 56 HZ1 LYS 56
2HZ LYS 56 HZ2 LYS 56
3HZ LYS 56 HZ3 LYS 56
H LYS 57 HN LYS 57
HA LYS 57 HA LYS 57
1HB LYS 57 HB1 LYS 57
2HB LYS 57 HB2 LYS 57
1HG LYS 57 HG1 LYS 57
2HG LYS 57 HG2 LYS 57
1HD LYS 57 HD1 LYS 57
2HD LYS 57 HD2 LYS 57
1HE LYS 57 HE1 LYS 57
2HE LYS 57 HE2 LYS 57
1HZ LYS 57 HZ1 LYS 57
2HZ LYS 57 HZ2 LYS 57
3HZ LYS 57 HZ3 LYS 57
H ALA 58 HN ALA 58
HA ALA 58 HA ALA 58
1HB ALA 58 HB1 ALA 58
2HB ALA 58 HB2 ALA 58
3HB ALA 58 HB3 ALA 58
H ALA 59 HN ALA 59
HA ALA 59 HA ALA 59
1HB ALA 59 HB1 ALA 59
2HB ALA 59 HB2 ALA 59
3HB ALA 59 HB3 ALA 59
H LYS 60 HN LYS 60
HA LYS 60 HA LYS 60
1HB LYS 60 HB1 LYS 60
2HB LYS 60 HB2 LYS 60
1HG LYS 60 HG1 LYS 60
2HG LYS 60 HG2 LYS 60
1HD LYS 60 HD1 LYS 60
2HD LYS 60 HD2 LYS 60
1HE LYS 60 HE1 LYS 60
2HE LYS 60 HE2 LYS 60
1HZ LYS 60 HZ1 LYS 60
2HZ LYS 60 HZ2 LYS 60
3HZ LYS 60 HZ3 LYS 60
H LEU 61 HN LEU 61
HA LEU 61 HA LEU 61
1HB LEU 61 HB1 LEU 61
2HB LEU 61 HB2 LEU 61
HG LEU 61 HG LEU 61
1HD1 LEU 61 HD11 LEU 61
2HD1 LEU 61 HD12 LEU 61
3HD1 LEU 61 HD13 LEU 61
1HD2 LEU 61 HD21 LEU 61
2HD2 LEU 61 HD22 LEU 61
3HD2 LEU 61 HD23 LEU 61
H LYS 62 HN LYS 62
HA LYS 62 HA LYS 62
1HB LYS 62 HB1 LYS 62
2HB LYS 62 HB2 LYS 62
1HG LYS 62 HG1 LYS 62
2HG LYS 62 HG2 LYS 62
1HD LYS 62 HD1 LYS 62
2HD LYS 62 HD2 LYS 62
1HE LYS 62 HE1 LYS 62
2HE LYS 62 HE2 LYS 62
1HZ LYS 62 HZ1 LYS 62
2HZ LYS 62 HZ2 LYS 62
3HZ LYS 62 HZ3 LYS 62
H GLU 63 HN GLU 63
HA GLU 63 HA GLU 63
1HB GLU 63 HB1 GLU 63
2HB GLU 63 HB2 GLU 63
1HG GLU 63 HG1 GLU 63
2HG GLU 63 HG2 GLU 63
H LYS 64 HN LYS 64
HA LYS 64 HA LYS 64
1HB LYS 64 HB1 LYS 64
2HB LYS 64 HB2 LYS 64
1HG LYS 64 HG1 LYS 64
2HG LYS 64 HG2 LYS 64
1HD LYS 64 HD1 LYS 64
2HD LYS 64 HD2 LYS 64
1HE LYS 64 HE1 LYS 64
2HE LYS 64 HE2 LYS 64
1HZ LYS 64 HZ1 LYS 64
2HZ LYS 64 HZ2 LYS 64
3HZ LYS 64 HZ3 LYS 64
OH TYR 65 OH TYR 65
H TYR 65 HN TYR 65
HA TYR 65 HA TYR 65
1HB TYR 65 HB1 TYR 65
2HB TYR 65 HB2 TYR 65
HD1 TYR 65 HD1 TYR 65
HD2 TYR 65 HD2 TYR 65
HE1 TYR 65 HE1 TYR 65
HE2 TYR 65 HE2 TYR 65
HH TYR 65 HH TYR 65
H GLU 66 HN GLU 66
HA GLU 66 HA GLU 66
1HB GLU 66 HB1 GLU 66
2HB GLU 66 HB2 GLU 66
1HG GLU 66 HG1 GLU 66
2HG GLU 66 HG2 GLU 66
H LYS 67 HN LYS 67
HA LYS 67 HA LYS 67
1HB LYS 67 HB1 LYS 67
2HB LYS 67 HB2 LYS 67
1HG LYS 67 HG1 LYS 67
2HG LYS 67 HG2 LYS 67
1HD LYS 67 HD1 LYS 67
2HD LYS 67 HD2 LYS 67
1HE LYS 67 HE1 LYS 67
2HE LYS 67 HE2 LYS 67
1HZ LYS 67 HZ1 LYS 67
2HZ LYS 67 HZ2 LYS 67
3HZ LYS 67 HZ3 LYS 67
H ASP 68 HN ASP 68
HA ASP 68 HA ASP 68
1HB ASP 68 HB1 ASP 68
2HB ASP 68 HB2 ASP 68
H ILE 69 HN ILE 69
HA ILE 69 HA ILE 69
HB ILE 69 HB ILE 69
1HG1 ILE 69 HG11 ILE 69
2HG1 ILE 69 HG12 ILE 69
1HG2 ILE 69 HG21 ILE 69
2HG2 ILE 69 HG22 ILE 69
3HG2 ILE 69 HG23 ILE 69
1HD1 ILE 69 HD11 ILE 69
2HD1 ILE 69 HD12 ILE 69
3HD1 ILE 69 HD13 ILE 69
H ALA 70 HN ALA 70
HA ALA 70 HA ALA 70
1HB ALA 70 HB1 ALA 70
2HB ALA 70 HB2 ALA 70
3HB ALA 70 HB3 ALA 70
H ALA 71 HN ALA 71
HA ALA 71 HA ALA 71
1HB ALA 71 HB1 ALA 71
2HB ALA 71 HB2 ALA 71
3HB ALA 71 HB3 ALA 71
OH TYR 72 OH TYR 72
H TYR 72 HN TYR 72
HA TYR 72 HA TYR 72
1HB TYR 72 HB1 TYR 72
2HB TYR 72 HB2 TYR 72
HD1 TYR 72 HD1 TYR 72
HD2 TYR 72 HD2 TYR 72
HE1 TYR 72 HE1 TYR 72
HE2 TYR 72 HE2 TYR 72
HH TYR 72 HH TYR 72
NH1 ARG 73 NH1 ARG 73
NH2 ARG 73 NH2 ARG 73
H ARG 73 HN ARG 73
HA ARG 73 HA ARG 73
1HB ARG 73 HB1 ARG 73
2HB ARG 73 HB2 ARG 73
1HG ARG 73 HG1 ARG 73
2HG ARG 73 HG2 ARG 73
1HD ARG 73 HD1 ARG 73
2HD ARG 73 HD2 ARG 73
HE ARG 73 HE ARG 73
1HH1 ARG 73 HH11 ARG 73
2HH1 ARG 73 HH12 ARG 73
1HH2 ARG 73 HH21 ARG 73
2HH2 ARG 73 HH22 ARG 73
H ALA 74 HN ALA 74
HA ALA 74 HA ALA 74
1HB ALA 74 HB1 ALA 74
2HB ALA 74 HB2 ALA 74
3HB ALA 74 HB3 ALA 74
H LYS 75 HN LYS 75
HA LYS 75 HA LYS 75
1HB LYS 75 HB1 LYS 75
2HB LYS 75 HB2 LYS 75
1HG LYS 75 HG1 LYS 75
2HG LYS 75 HG2 LYS 75
1HD LYS 75 HD1 LYS 75
2HD LYS 75 HD2 LYS 75
1HE LYS 75 HE1 LYS 75
2HE LYS 75 HE2 LYS 75
1HZ LYS 75 HZ1 LYS 75
2HZ LYS 75 HZ2 LYS 75
3HZ LYS 75 HZ3 LYS 75
H GLY 76 HN GLY 76
1HA GLY 76 HA1 GLY 76
2HA GLY 76 HA2 GLY 76
H LYS 77 HN LYS 77
HA LYS 77 HA LYS 77
1HB LYS 77 HB1 LYS 77
2HB LYS 77 HB2 LYS 77
1HG LYS 77 HG1 LYS 77
2HG LYS 77 HG2 LYS 77
1HD LYS 77 HD1 LYS 77
2HD LYS 77 HD2 LYS 77
1HE LYS 77 HE1 LYS 77
2HE LYS 77 HE2 LYS 77
1HZ LYS 77 HZ1 LYS 77
2HZ LYS 77 HZ2 LYS 77
3HZ LYS 77 HZ3 LYS 77
HA PRO 78 HA PRO 78
1HB PRO 78 HB1 PRO 78
2HB PRO 78 HB2 PRO 78
1HG PRO 78 HG1 PRO 78
2HG PRO 78 HG2 PRO 78
1HD PRO 78 HD1 PRO 78
2HD PRO 78 HD2 PRO 78
H ASP 79 HN ASP 79
HA ASP 79 HA ASP 79
1HB ASP 79 HB1 ASP 79
2HB ASP 79 HB2 ASP 79
H ALA 80 HN ALA 80
HA ALA 80 HA ALA 80
1HB ALA 80 HB1 ALA 80
2HB ALA 80 HB2 ALA 80
3HB ALA 80 HB3 ALA 80
H ALA 81 HN ALA 81
HA ALA 81 HA ALA 81
1HB ALA 81 HB1 ALA 81
2HB ALA 81 HB2 ALA 81
3HB ALA 81 HB3 ALA 81
REMARK
REMARK Experimental Restraints for NMR Structures of Hamster High
REMARK Mobility Group Protein 1 (HMG1) Box 2.
REMARK
REMARK Authors: C.M. READ, P.D. CARY, C. CRANE-ROBINSON, P.C. DRISCOLL,
REMARK M.O.M. CARILLO, AND D.G. NORMAN
REMARK Address: Biophysics Laboratories, Department of Biological Sciences
REMARK University of Portsmouth, St. Michael's Building, White
REMARK Swan Road, Portsmouth PO1 2DT. United Kingdom.
REMARK
REMARK References:
REMARK 1 C.M. READ, P.D. CARY, C. CRANE-ROBINSON, P.C. DRISCOLL,
REMARK M.O.M. CARILLO, AND D.G. NORMAN (1994). In "Nucleic Acids and
REMARK Molecular Biology." Eds. F. Eckstein and D.M.J. Lilley. Publ. by
REMARK Springer-Verlag, Berlin, Heidelberg. Volume 9, in press.
REMARK
REMARK SUMMARY OF NMR DERIVED RESTRAINTS:
REMARK 1. NOE RESTRAINTS
REMARK INTRA-RESIDUE = 427
REMARK SEQUENTIAL (|I-J| = 1) = 426
REMARK SHORT RANGE (|I-J| = 2,3,4) = 372
REMARK LONG RANGE (|I-J| >= 5) = 253
REMARK TOTAL = 1478
REMARK 2. DIHEDRAL ANGLE RESTRAINTS
REMARK 38 RESTRAINTS WITH (-170 > PHI > -10)
REMARK 38 RESTRAINTS WITH ( +5 > PSI > -85)
REMARK TOTAL = 76
REMARK 3. HYDROGEN BOND RESTRAINTS
REMARK 32 RESTRAINTS WITH D(O-H) 1.5 - 2.5 ANGSTROMS
REMARK 32 RESTRAINTS WITH D(N-O) 2.5 - 3.5 ANGSTROMS
REMARK TOTAL = 64
REMARK
REMARK GRAND TOTAL OF RESTRAINTS = 1618
REMARK
REMARK A. NOE INTERPROTON DISTANCE RESTRAINTS
REMARK
!ASN 3, intra-residue NOES
assign (resid 3 and name HN )(resid 3 and name HA ) 0.0 0.0 2.5 !
assign (resid 3 and name HN )(resid 3 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 3 and name HN )(resid 3 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 3 and name HB* )(resid 3 and name HD21 ) 0.0 1.0 4.5 !
assign (resid 3 and name HB1 )(resid 3 and name HD22 ) 0.0 0.0 5.0 !
assign (resid 3 and name HB2 )(resid 3 and name HD22 ) 0.0 0.0 5.0 !
!ASN 3, sequential NOES
assign (resid 3 and name HN )(resid 4 and name HN ) 0.0 0.0 5.0 !
assign (resid 3 and name HA )(resid 4 and name HN ) 0.0 0.0 2.5 !
assign (resid 3 and name HB* )(resid 4 and name HN ) 0.0 1.0 4.5 !
!ASN 3, short-range NOES
!ASN 3, long-range NOES
assign (resid 3 and name HB1 )(resid 72 and name HE* ) 0.0 2.0 7.0 !
assign (resid 3 and name HB2 )(resid 72 and name HE* ) 0.0 2.0 7.0 !
!ALA 4, intra-residue NOES
assign (resid 4 and name HN )(resid 4 and name HA ) 0.0 0.0 2.5 !
assign (resid 4 and name HN )(resid 4 and name HB* ) 0.0 0.0 2.5 !
assign (resid 4 and name HA )(resid 4 and name HB* ) 0.0 0.0 2.5 !
!ALA 4, sequential NOES
assign (resid 4 and name HN )(resid 5 and name HD1 ) 0.0 0.0 3.5 !
assign (resid 4 and name HN )(resid 5 and name HD2 ) 0.0 0.0 3.5 !
assign (resid 4 and name HA )(resid 5 and name HG1 ) 0.0 0.0 5.0 !
assign (resid 4 and name HA )(resid 5 and name HG2 ) 0.0 0.0 5.0 !
assign (resid 4 and name HA )(resid 5 and name HD1 ) 0.0 0.0 3.5 !
assign (resid 4 and name HA )(resid 5 and name HD2 ) 0.0 0.0 3.5 !
assign (resid 4 and name HB* )(resid 5 and name HD1 ) 0.0 1.0 4.5 !
assign (resid 4 and name HB* )(resid 5 and name HD2 ) 0.0 1.0 4.5 !
!ALA 4, short-range NOES
!ALA 4, long-range NOES
assign (resid 4 and name HB* )(resid 65 and name HE* ) 0.0 3.0 8.0 !
assign (resid 4 and name HA )(resid 69 and name HD1* ) 0.0 1.0 6.0 !
assign (resid 4 and name HB* )(resid 69 and name HD1* ) 0.0 2.0 5.5 !
assign (resid 4 and name HA )(resid 72 and name HD* ) 0.0 2.0 5.5 !
assign (resid 4 and name HA )(resid 72 and name HE* ) 0.0 2.0 5.5 !
assign (resid 4 and name HB* )(resid 72 and name HD* ) 0.0 3.0 6.5 !
assign (resid 4 and name HB* )(resid 72 and name HE* ) 0.0 3.0 5.5 !
!PRO 5, intra-residue NOES
assign (resid 5 and name HA )(resid 5 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 5 and name HA )(resid 5 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 5 and name HA )(resid 5 and name HG1 ) 0.0 0.0 3.5 !
assign (resid 5 and name HA )(resid 5 and name HG2 ) 0.0 0.0 3.5 !
!PRO 5, sequential NOES
assign (resid 5 and name HA )(resid 6 and name HN ) 0.0 0.0 2.5 !
assign (resid 5 and name HB1 )(resid 6 and name HN ) 0.0 0.0 3.5 !
assign (resid 5 and name HB2 )(resid 6 and name HN ) 0.0 0.0 3.5 !
assign (resid 5 and name HG1 )(resid 6 and name HN ) 0.0 0.0 5.0 !
assign (resid 5 and name HG2 )(resid 6 and name HN ) 0.0 0.0 5.0 !
assign (resid 5 and name HD* )(resid 6 and name HN ) 0.0 1.0 6.0 !
!PRO 5, short-range NOES
!PRO 5, long-range NOES
assign (resid 5 and name HA )(resid 65 and name HB* ) 0.0 1.0 6.0 !
assign (resid 5 and name HA )(resid 65 and name HD* ) 0.0 2.0 5.5 !
assign (resid 5 and name HA )(resid 65 and name HE* ) 0.0 2.0 7.0 !
assign (resid 5 and name HB1 )(resid 65 and name HD* ) 0.0 2.0 5.5 !
assign (resid 5 and name HB1 )(resid 65 and name HE* ) 0.0 2.0 5.5 !
assign (resid 5 and name HB2 )(resid 65 and name HD* ) 0.0 2.0 5.5 !
assign (resid 5 and name HB2 )(resid 65 and name HE* ) 0.0 2.0 5.5 !
assign (resid 5 and name HG1 )(resid 65 and name HD* ) 0.0 2.0 7.0 !
assign (resid 5 and name HG1 )(resid 65 and name HE* ) 0.0 2.0 7.0 !
assign (resid 5 and name HG2 )(resid 65 and name HD* ) 0.0 2.0 7.0 !
assign (resid 5 and name HG2 )(resid 65 and name HE* ) 0.0 2.0 7.0 !
assign (resid 5 and name HB* )(resid 69 and name HN ) 0.0 1.0 6.0 !
assign (resid 5 and name HB* )(resid 69 and name HD1* ) 0.0 2.0 7.0 !
assign (resid 5 and name HG1 )(resid 69 and name HD1* ) 0.0 2.0 7.0 !
assign (resid 5 and name HG2 )(resid 69 and name HD1* ) 0.0 2.0 7.0 !
assign (resid 5 and name HD* )(resid 69 and name HA ) 0.0 1.0 6.0 !
assign (resid 5 and name HD* )(resid 69 and name HG2* ) 0.0 1.0 6.0 !
assign (resid 5 and name HD1 )(resid 69 and name HD1* ) 0.0 1.0 6.0 !
assign (resid 5 and name HD2 )(resid 69 and name HD1* ) 0.0 1.0 6.0 !
assign (resid 5 and name HD1 )(resid 72 and name HD* ) 0.0 2.0 5.5 !
assign (resid 5 and name HD1 )(resid 72 and name HE* ) 0.0 2.0 7.0 !
assign (resid 5 and name HD2 )(resid 72 and name HD* ) 0.0 2.0 5.5 !
assign (resid 5 and name HD2 )(resid 72 and name HE* ) 0.0 2.0 7.0 !
!LYS 6, intra-residue NOES
assign (resid 6 and name HN )(resid 6 and name HA ) 0.0 0.0 2.5 !
assign (resid 6 and name HN )(resid 6 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 6 and name HN )(resid 6 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 6 and name HN )(resid 6 and name HG1 ) 0.0 0.0 3.5 !
assign (resid 6 and name HN )(resid 6 and name HG2 ) 0.0 0.0 3.5 !
assign (resid 6 and name HN )(resid 6 and name HD* ) 0.0 1.0 6.0 !
assign (resid 6 and name HN )(resid 6 and name HE* ) 0.0 1.0 6.0 !
assign (resid 6 and name HA )(resid 6 and name HB* ) 0.0 1.0 4.5 !
assign (resid 6 and name HA )(resid 6 and name HG1 ) 0.0 0.0 5.0 !
assign (resid 6 and name HA )(resid 6 and name HG2 ) 0.0 0.0 5.0 !
!LYS 6, sequential NOES
assign (resid 6 and name HN )(resid 7 and name HN ) 0.0 0.0 3.5 !
assign (resid 6 and name HA )(resid 7 and name HN ) 0.0 0.0 2.5 !
!LYS 6, short-range NOES
!LYS 6, long-range NOES
assign (resid 6 and name HN )(resid 65 and name HD* ) 0.0 2.0 7.0 !
assign (resid 6 and name HN )(resid 65 and name HE* ) 0.0 2.0 7.0 !
assign (resid 6 and name HA )(resid 65 and name HD* ) 0.0 2.0 5.5 !
assign (resid 6 and name HA )(resid 65 and name HE* ) 0.0 2.0 7.0 !
!ARG 7, intra-residue NOES
assign (resid 7 and name HN )(resid 7 and name HA ) 0.0 0.0 2.5 !
assign (resid 7 and name HN )(resid 7 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 7 and name HN )(resid 7 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 7 and name HN )(resid 7 and name HG1 ) 0.0 0.0 3.5 !
assign (resid 7 and name HN )(resid 7 and name HG2 ) 0.0 0.0 3.5 !
assign (resid 7 and name HN )(resid 7 and name HD* ) 0.0 1.0 6.0 !
assign (resid 7 and name HA )(resid 7 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 7 and name HA )(resid 7 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 7 and name HA )(resid 7 and name HG1 ) 0.0 0.0 5.0 !
assign (resid 7 and name HA )(resid 7 and name HG2 ) 0.0 0.0 5.0 !
!ARG 7, sequential NOES
assign (resid 7 and name HN )(resid 8 and name HD1 ) 0.0 0.0 5.0 !
assign (resid 7 and name HN )(resid 8 and name HD2 ) 0.0 0.0 5.0 !
assign (resid 7 and name HA )(resid 8 and name HD1 ) 0.0 0.0 3.5 !
assign (resid 7 and name HA )(resid 8 and name HD2 ) 0.0 0.0 3.5 !
!ARG 7, short-range NOES
!ARG 7, long-range NOES
assign (resid 7 and name HN )(resid 65 and name HD* ) 0.0 2.0 7.0 !
assign (resid 7 and name HN )(resid 65 and name HE* ) 0.0 2.0 5.5 !
assign (resid 7 and name HA )(resid 65 and name HD* ) 0.0 2.0 5.5 !
assign (resid 7 and name HA )(resid 65 and name HE* ) 0.0 2.0 5.5 !
assign (resid 7 and name HB* )(resid 65 and name HE* ) 0.0 3.0 6.5 !
assign (resid 7 and name HG1 )(resid 65 and name HE* ) 0.0 2.0 7.0 !
assign (resid 7 and name HG2 )(resid 65 and name HE* ) 0.0 2.0 7.0 !
!PRO 8, intra-residue NOES
assign (resid 8 and name HA )(resid 8 and name HB1 ) 0.0 0.0 5.0 !
assign (resid 8 and name HA )(resid 8 and name HB2 ) 0.0 0.0 5.0 !
assign (resid 8 and name HA )(resid 8 and name HG* ) 0.0 1.0 6.0 !
assign (resid 8 and name HA )(resid 8 and name HD1 ) 0.0 0.0 5.0 !
assign (resid 8 and name HA )(resid 8 and name HD2 ) 0.0 0.0 5.0 !
!PRO 8, sequential NOES
assign (resid 8 and name HA )(resid 9 and name HD1 ) 0.0 0.0 3.5 !
assign (resid 8 and name HA )(resid 9 and name HD2 ) 0.0 0.0 3.5 !
assign (resid 8 and name HB1 )(resid 9 and name HD* ) 0.0 1.0 6.0 !
assign (resid 8 and name HB2 )(resid 9 and name HD* ) 0.0 1.0 6.0 !
!PRO 8, short-range NOES
!PRO 8, long-range NOES
assign (resid 8 and name HA )(resid 61 and name HD* ) 0.0 2.4 7.4 !
assign (resid 8 and name HD* )(resid 63 and name HN ) 0.0 1.0 6.0 !
assign (resid 8 and name HD* )(resid 65 and name HN ) 0.0 1.0 6.0 !
assign (resid 8 and name HD* )(resid 65 and name HB1 ) 0.0 1.0 6.0 !
assign (resid 8 and name HD* )(resid 65 and name HB2 ) 0.0 1.0 6.0 !
assign (resid 8 and name HD* )(resid 65 and name HD* ) 0.0 3.0 6.5 !
assign (resid 8 and name HD1 )(resid 65 and name HE* ) 0.0 2.0 5.5 !
assign (resid 8 and name HD2 )(resid 65 and name HE* ) 0.0 2.0 5.5 !
assign (resid 8 and name HD1 )(resid 66 and name HN ) 0.0 0.0 6.0 !
assign (resid 8 and name HD2 )(resid 66 and name HN ) 0.0 0.0 6.0 !
!PRO 9, intra-residue NOES
assign (resid 9 and name HA )(resid 9 and name HB* ) 0.0 1.0 4.5 !
assign (resid 9 and name HA )(resid 9 and name HG* ) 0.0 1.0 6.0 !
assign (resid 9 and name HA )(resid 9 and name HD1 ) 0.0 0.0 5.0 !
assign (resid 9 and name HA )(resid 9 and name HD2 ) 0.0 0.0 5.0 !
!PRO 9, sequential NOES
assign (resid 9 and name HA )(resid 10 and name HN ) 0.0 0.0 2.5 !
assign (resid 9 and name HB* )(resid 10 and name HN ) 0.0 1.0 3.5 !
assign (resid 9 and name HD1 )(resid 10 and name HN ) 0.0 0.0 5.0 !
assign (resid 9 and name HD2 )(resid 10 and name HN ) 0.0 0.0 5.0 !
!PRO 9, short-range NOES
assign (resid 9 and name HA )(resid 11 and name HN ) 0.0 0.0 6.0 !
assign (resid 9 and name HB* )(resid 11 and name HN ) 0.0 1.0 7.0 !
assign (resid 9 and name HA )(resid 13 and name HB1 ) 0.0 0.0 5.0 !
assign (resid 9 and name HA )(resid 13 and name HB2 ) 0.0 0.0 5.0 !
assign (resid 9 and name HA )(resid 13 and name HD* ) 0.0 2.0 5.5 !
assign (resid 9 and name HA )(resid 13 and name HE* ) 0.0 2.0 7.0 !
assign (resid 9 and name HB1 )(resid 13 and name HE* ) 0.0 2.0 7.0 !
assign (resid 9 and name HB2 )(resid 13 and name HE* ) 0.0 2.0 7.0 !
!PRO 9, long-range NOES
assign (resid 9 and name HA )(resid 14 and name HN ) 0.0 0.0 6.0 !
assign (resid 9 and name HB* )(resid 14 and name HN ) 0.0 1.0 4.5 !
assign (resid 9 and name HD1 )(resid 61 and name HD* ) 0.0 2.4 7.4 !
assign (resid 9 and name HD2 )(resid 61 and name HD* ) 0.0 2.4 7.4 !
!SER 10, intra-residue NOES
assign (resid 10 and name HN )(resid 10 and name HA ) 0.0 0.0 2.5 !
assign (resid 10 and name HN )(resid 10 and name HB* ) 0.0 1.0 4.5 !
assign (resid 10 and name HA )(resid 10 and name HB* ) 0.0 1.0 4.5 !
!SER 10, sequential NOES
assign (resid 10 and name HN )(resid 11 and name HN ) 0.0 0.0 5.0 !
assign (resid 10 and name HA )(resid 11 and name HN ) 0.0 0.0 2.5 !
assign (resid 10 and name HA )(resid 11 and name HB* ) 0.0 1.0 6.0 !
assign (resid 10 and name HB* )(resid 11 and name HN ) 0.0 1.0 4.5 !
!SER 10, short-range NOES
assign (resid 10 and name HN )(resid 12 and name HN ) 0.0 0.0 5.0 !
assign (resid 10 and name HA )(resid 12 and name HN ) 0.0 0.0 5.0 !
assign (resid 10 and name HB* )(resid 12 and name HN ) 0.0 1.0 4.5 !
assign (resid 10 and name HN )(resid 13 and name HN ) 0.0 0.0 3.5 !
assign (resid 10 and name HN )(resid 13 and name HA ) 0.0 0.0 5.0 !
assign (resid 10 and name HN )(resid 13 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 10 and name HN )(resid 13 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 10 and name HN )(resid 13 and name HD* ) 0.0 2.0 5.5 !
assign (resid 10 and name HN )(resid 13 and name HE* ) 0.0 2.0 7.0 !
assign (resid 10 and name HA )(resid 13 and name HN ) 0.0 0.0 5.0 !
assign (resid 10 and name HB* )(resid 13 and name HN ) 0.0 1.0 4.5 !
assign (resid 10 and name HB* )(resid 13 and name HD* ) 0.0 3.0 6.5 !
assign (resid 10 and name HB* )(resid 13 and name HE* ) 0.0 3.0 8.0 !
assign (resid 10 and name HN )(resid 14 and name HN ) 0.0 0.0 5.0 !
assign (resid 10 and name HN )(resid 14 and name HD* ) 0.0 2.4 7.4 !
!SER 10, long-range NOES
!ALA 11, intra-residue NOES
assign (resid 11 and name HN )(resid 11 and name HA ) 0.0 0.0 2.5 !
assign (resid 11 and name HN )(resid 11 and name HB* ) 0.0 1.0 3.5 !
assign (resid 11 and name HA )(resid 11 and name HB* ) 0.0 1.0 3.5 !
!ALA 11, sequential NOES
assign (resid 11 and name HN )(resid 12 and name HN ) 0.0 0.0 3.5 !
assign (resid 11 and name HN )(resid 12 and name HA ) 0.0 0.0 5.0 !
assign (resid 11 and name HN )(resid 12 and name HB* ) 0.0 1.0 6.0 !
assign (resid 11 and name HA )(resid 12 and name HN ) 0.0 0.0 3.5 !
assign (resid 11 and name HA )(resid 12 and name HD* ) 0.0 2.0 7.0 !
assign (resid 11 and name HB* )(resid 12 and name HN ) 0.0 1.0 3.5 !
assign (resid 11 and name HB* )(resid 12 and name HD* ) 0.0 3.0 8.0 !
!ALA 11, short-range NOES
assign (resid 11 and name HN )(resid 13 and name HN ) 0.0 0.0 5.0 !
assign (resid 11 and name HN )(resid 13 and name HA ) 0.0 0.0 5.0 !
assign (resid 11 and name HN )(resid 13 and name HD* ) 0.0 2.0 7.0 !
assign (resid 11 and name HB* )(resid 13 and name HN ) 0.0 1.0 4.5 !
assign (resid 11 and name HN )(resid 14 and name HG ) 0.0 0.0 5.0 !
assign (resid 11 and name HN )(resid 14 and name HD* ) 0.0 2.4 7.4 !
!ALA 11, long-range NOES
assign (resid 11 and name HB* )(resid 43 and name HD1 ) 0.0 1.0 6.0 !
assign (resid 11 and name HB* )(resid 43 and name HE1 ) 0.0 1.0 6.0 !
assign (resid 11 and name HB* )(resid 43 and name HE3 ) 0.0 1.0 7.0 !
assign (resid 11 and name HB* )(resid 43 and name HH2 ) 0.0 1.0 3.5 !
assign (resid 11 and name HB* )(resid 43 and name HZ2 ) 0.0 1.0 3.5 !
assign (resid 11 and name HA )(resid 54 and name HB1 ) 0.0 0.0 5.0 !
assign (resid 11 and name HA )(resid 54 and name HB2 ) 0.0 0.0 5.0 !
assign (resid 11 and name HB* )(resid 54 and name HB1 ) 0.0 1.0 4.5 !
assign (resid 11 and name HB* )(resid 54 and name HB2 ) 0.0 1.0 4.5 !
assign (resid 11 and name HN )(resid 55 and name HA ) 0.0 0.0 5.0 !
!PHE 12, intra-residue NOES
assign (resid 12 and name HN )(resid 12 and name HA ) 0.0 0.0 3.5 !
assign (resid 12 and name HN )(resid 12 and name HB1 ) 0.0 0.0 2.5 !
assign (resid 12 and name HN )(resid 12 and name HB2 ) 0.0 0.0 2.5 !
assign (resid 12 and name HN )(resid 12 and name HD* ) 0.0 2.0 5.5 !
assign (resid 12 and name HN )(resid 12 and name HE* ) 0.0 2.0 7.0 !
assign (resid 12 and name HA )(resid 12 and name HB1 ) 0.0 0.0 5.0 !
assign (resid 12 and name HA )(resid 12 and name HB2 ) 0.0 0.0 5.0 !
assign (resid 12 and name HA )(resid 12 and name HD* ) 0.0 2.0 4.5 !
assign (resid 12 and name HA )(resid 12 and name HE* ) 0.0 2.0 5.5 !
assign (resid 12 and name HB1 )(resid 12 and name HD* ) 0.0 2.0 4.5 !
assign (resid 12 and name HB2 )(resid 12 and name HD* ) 0.0 2.0 4.5 !
assign (resid 12 and name HB* )(resid 12 and name HE* ) 0.0 3.0 6.5 !
!PHE 12, sequential NOES
assign (resid 12 and name HN )(resid 13 and name HN ) 0.0 0.0 3.5 !
assign (resid 12 and name HN )(resid 13 and name HA ) 0.0 0.0 5.0 !
assign (resid 12 and name HN )(resid 13 and name HB1 ) 0.0 0.0 5.0 !
assign (resid 12 and name HN )(resid 13 and name HB2 ) 0.0 0.0 5.0 !
assign (resid 12 and name HA )(resid 13 and name HN ) 0.0 0.0 3.5 !
assign (resid 12 and name HB* )(resid 13 and name HN ) 0.0 1.0 4.5 !
assign (resid 12 and name HD* )(resid 13 and name HN ) 0.0 2.0 5.5 !
assign (resid 12 and name HD* )(resid 13 and name HA ) 0.0 2.0 7.0 !
assign (resid 12 and name HE* )(resid 13 and name HN ) 0.0 2.0 7.0 !
!PHE 12, short-range NOES
assign (resid 12 and name HN )(resid 14 and name HN ) 0.0 0.0 5.0 !
assign (resid 12 and name HN )(resid 14 and name HB* ) 0.0 1.0 7.0 !
assign (resid 12 and name HA )(resid 14 and name HN ) 0.0 0.0 5.0 !
assign (resid 12 and name HB* )(resid 14 and name HN ) 0.0 1.0 6.0 !
assign (resid 12 and name HA )(resid 15 and name HD* ) 0.0 2.0 5.5 !
assign (resid 12 and name HB* )(resid 15 and name HD* ) 0.0 3.0 8.0 !
assign (resid 12 and name HD* )(resid 15 and name HN ) 0.0 2.0 7.0 !
assign (resid 12 and name HD* )(resid 15 and name HB1 ) 0.0 2.0 7.0 !
assign (resid 12 and name HD* )(resid 15 and name HB2 ) 0.0 2.0 7.0 !
assign (resid 12 and name HD* )(resid 15 and name HD* ) 0.0 4.0 7.5 !
assign (resid 12 and name HD* )(resid 15 and name HE* ) 0.0 4.0 7.5 !
assign (resid 12 and name HE* )(resid 15 and name HE* ) 0.0 4.0 7.5 !
assign (resid 12 and name HA )(resid 16 and name HN ) 0.0 0.0 5.0 !
assign (resid 12 and name HB* )(resid 16 and name HN ) 0.0 1.0 6.0 !
assign (resid 12 and name HD* )(resid 16 and name HN ) 0.0 2.0 7.0 !
assign (resid 12 and name HD* )(resid 16 and name HG1 ) 0.0 2.0 7.0 !
!PHE 12, long-range NOES
assign (resid 12 and name HE* )(resid 36 and name HA ) 0.0 2.0 7.0 !
assign (resid 12 and name HE* )(resid 39 and name HN ) 0.0 2.0 7.0 !
assign (resid 12 and name HE* )(resid 39 and name HA ) 0.0 2.0 5.5 !
assign (resid 12 and name HE* )(resid 39 and name HB1 ) 0.0 2.0 5.5 !
assign (resid 12 and name HE* )(resid 39 and name HB2 ) 0.0 2.0 5.5 !
assign (resid 12 and name HE* )(resid 39 and name HG ) 0.0 2.0 5.5 !
assign (resid 12 and name HE* )(resid 39 and name HD1* ) 0.0 3.0 8.0 !
assign (resid 12 and name HE* )(resid 39 and name HD2* ) 0.0 3.0 8.0 !
assign (resid 12 and name HD* )(resid 40 and name HA1 ) 0.0 2.0 7.0 !
assign (resid 12 and name HD* )(resid 40 and name HA2 ) 0.0 2.0 7.0 !
assign (resid 12 and name HE* )(resid 40 and name HN ) 0.0 2.0 5.5 !
assign (resid 12 and name HE* )(resid 40 and name HA1 ) 0.0 2.0 4.5 !
assign (resid 12 and name HE* )(resid 40 and name HA2 ) 0.0 2.0 4.5 !
assign (resid 12 and name HE* )(resid 41 and name HN ) 0.0 2.0 5.5 !
assign (resid 12 and name HE* )(resid 41 and name HB* ) 0.0 3.0 8.0 !
assign (resid 12 and name HE* )(resid 42 and name HN ) 0.0 2.0 7.0 !
assign (resid 12 and name HN )(resid 43 and name HE1 ) 0.0 0.0 5.0 !
assign (resid 12 and name HN )(resid 43 and name HZ2 ) 0.0 0.0 5.0 !
assign (resid 12 and name HA )(resid 43 and name HE1 ) 0.0 0.0 5.0 !
assign (resid 12 and name HA )(resid 43 and name HZ2 ) 0.0 0.0 5.0 !
assign (resid 12 and name HA )(resid 43 and name HZ3 ) 0.0 0.0 5.0 !
assign (resid 12 and name HB* )(resid 43 and name HD1 ) 0.0 1.0 6.0 !
assign (resid 12 and name HB* )(resid 43 and name HE1 ) 0.0 1.0 4.5 !
assign (resid 12 and name HB* )(resid 43 and name HZ2 ) 0.0 1.0 6.0 !
assign (resid 12 and name HB* )(resid 43 and name HZ3 ) 0.0 1.0 6.0 !
assign (resid 12 and name HD* )(resid 43 and name HN ) 0.0 2.0 5.5 !
assign (resid 12 and name HD* )(resid 43 and name HA ) 0.0 2.0 7.0 !
assign (resid 12 and name HD* )(resid 43 and name HB* ) 0.0 3.0 6.5 !
assign (resid 12 and name HD* )(resid 43 and name HD1 ) 0.0 2.0 5.5 !
assign (resid 12 and name HD* )(resid 43 and name HE1 ) 0.0 2.0 5.5 !
assign (resid 12 and name HD* )(resid 43 and name HE3 ) 0.0 2.0 7.0 !
assign (resid 12 and name HD* )(resid 43 and name HZ2 ) 0.0 2.0 7.0 !
assign (resid 12 and name HE* )(resid 43 and name HN ) 0.0 2.0 5.5 !
assign (resid 12 and name HE* )(resid 43 and name HB* ) 0.0 3.0 5.5 !
assign (resid 12 and name HE* )(resid 43 and name HD1 ) 0.0 2.0 5.5 !
assign (resid 12 and name HD* )(resid 44 and name HN ) 0.0 2.0 7.0 !
assign (resid 12 and name HA )(resid 54 and name HE* ) 0.0 2.0 7.0 !
!PHE 13, intra-residue NOES
assign (resid 13 and name HN )(resid 13 and name HA ) 0.0 0.0 2.5 !
assign (resid 13 and name HN )(resid 13 and name HB1 ) 0.0 0.0 2.5 !
assign (resid 13 and name HN )(resid 13 and name HB2 ) 0.0 0.0 2.5 !
assign (resid 13 and name HN )(resid 13 and name HD* ) 0.0 2.0 5.5 !
assign (resid 13 and name HN )(resid 13 and name HE* ) 0.0 2.0 7.0 !
assign (resid 13 and name HA )(resid 13 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 13 and name HA )(resid 13 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 13 and name HA )(resid 13 and name HE* ) 0.0 2.0 7.0 !
assign (resid 13 and name HB1 )(resid 13 and name HE* ) 0.0 2.0 7.0 !
assign (resid 13 and name HB2 )(resid 13 and name HE* ) 0.0 2.0 7.0 !
!PHE 13, sequential NOES
assign (resid 13 and name HN )(resid 14 and name HN ) 0.0 0.0 3.5 !
assign (resid 13 and name HA )(resid 14 and name HN ) 0.0 0.0 3.5 !
assign (resid 13 and name HB1 )(resid 14 and name HN ) 0.0 0.0 3.5 !
assign (resid 13 and name HB2 )(resid 14 and name HN ) 0.0 0.0 3.5 !
assign (resid 13 and name HD* )(resid 14 and name HN ) 0.0 2.0 5.5 !
assign (resid 13 and name HD* )(resid 14 and name HD* ) 0.0 4.4 7.9 !
assign (resid 13 and name HE* )(resid 14 and name HD* ) 0.0 4.4 7.9 !
!PHE 13, short-range NOES
assign (resid 13 and name HA )(resid 16 and name HN ) 0.0 0.0 3.5 !
assign (resid 13 and name HA )(resid 16 and name HB* ) 0.0 1.0 6.0 !
assign (resid 13 and name HB* )(resid 16 and name HN ) 0.0 1.0 6.0 !
assign (resid 13 and name HD* )(resid 16 and name HN ) 0.0 2.0 7.0 !
assign (resid 13 and name HD* )(resid 16 and name HG1 ) 0.0 2.0 5.5 !
assign (resid 13 and name HE* )(resid 17 and name HN ) 0.0 2.0 7.0 !
!PHE 13, long-range NOES
!LEU 14, intra-residue NOES
assign (resid 14 and name HN )(resid 14 and name HA ) 0.0 0.0 3.5 !
assign (resid 14 and name HN )(resid 14 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 14 and name HN )(resid 14 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 14 and name HN )(resid 14 and name HG ) 0.0 0.0 3.5 !
assign (resid 14 and name HN )(resid 14 and name HD1* ) 0.0 0.0 3.5 !
assign (resid 14 and name HN )(resid 14 and name HD2* ) 0.0 0.0 3.5 !
assign (resid 14 and name HA )(resid 14 and name HB* ) 0.0 1.0 4.5 !
assign (resid 14 and name HA )(resid 14 and name HD* ) 0.0 2.4 7.4 !
!LEU 14, sequential NOES
assign (resid 14 and name HN )(resid 15 and name HN ) 0.0 0.0 3.5 !
assign (resid 14 and name HN )(resid 15 and name HA ) 0.0 0.0 5.0 !
assign (resid 14 and name HN )(resid 15 and name HB* ) 0.0 1.0 6.0 !
assign (resid 14 and name HN )(resid 15 and name HD* ) 0.0 2.0 7.0 !
assign (resid 14 and name HB* )(resid 15 and name HN ) 0.0 1.0 4.5 !
assign (resid 14 and name HG )(resid 15 and name HN ) 0.0 0.0 5.0 !
assign (resid 14 and name HD1* )(resid 15 and name HN ) 0.0 1.0 4.5 !
assign (resid 14 and name HD2* )(resid 15 and name HN ) 0.0 1.0 4.5 !
!LEU 14, short-range NOES
assign (resid 14 and name HN )(resid 16 and name HN ) 0.0 0.0 3.5 !
assign (resid 14 and name HA )(resid 16 and name HN ) 0.0 0.0 5.0 !
assign (resid 14 and name HB1 )(resid 16 and name HN ) 0.0 0.0 5.0 !
assign (resid 14 and name HB2 )(resid 16 and name HN ) 0.0 0.0 5.0 !
assign (resid 14 and name HD1* )(resid 16 and name HN ) 0.0 1.0 6.0 !
assign (resid 14 and name HD2* )(resid 16 and name HN ) 0.0 1.0 6.0 !
assign (resid 14 and name HD* )(resid 17 and name HN ) 0.0 2.4 7.4 !
!LEU 14, long-range NOES
assign (resid 14 and name HN )(resid 54 and name HD* ) 0.0 2.0 7.0 !
assign (resid 14 and name HA )(resid 54 and name HD* ) 0.0 2.0 7.0 !
assign (resid 14 and name HB1 )(resid 54 and name HD* ) 0.0 2.0 5.5 !
assign (resid 14 and name HB1 )(resid 54 and name HE* ) 0.0 2.0 7.0 !
assign (resid 14 and name HB2 )(resid 54 and name HD* ) 0.0 2.0 5.5 !
assign (resid 14 and name HB2 )(resid 54 and name HE* ) 0.0 2.0 7.0 !
assign (resid 14 and name HG )(resid 54 and name HD* ) 0.0 2.0 7.0 !
assign (resid 14 and name HG )(resid 54 and name HE* ) 0.0 2.0 5.5 !
assign (resid 14 and name HD* )(resid 54 and name HA ) 0.0 2.4 5.9 !
assign (resid 14 and name HD* )(resid 54 and name HB1 ) 0.0 2.4 7.4 !
assign (resid 14 and name HD* )(resid 54 and name HB2 ) 0.0 2.4 7.4 !
assign (resid 14 and name HD1* )(resid 54 and name HD* ) 0.0 3.0 6.5 !
assign (resid 14 and name HD1* )(resid 54 and name HE* ) 0.0 3.0 8.0 !
assign (resid 14 and name HD2* )(resid 54 and name HD* ) 0.0 3.0 6.5 !
assign (resid 14 and name HD2* )(resid 54 and name HE* ) 0.0 3.0 8.0 !
assign (resid 14 and name HG )(resid 57 and name HN ) 0.0 0.0 5.0 !
assign (resid 14 and name HD* )(resid 57 and name HN ) 0.0 2.4 7.4 !
assign (resid 14 and name HD* )(resid 57 and name HA ) 0.0 2.4 7.4 !
assign (resid 14 and name HG )(resid 58 and name HN ) 0.0 0.0 3.5 !
assign (resid 14 and name HD* )(resid 58 and name HN ) 0.0 2.4 4.9 !
assign (resid 14 and name HD* )(resid 59 and name HN ) 0.0 2.4 7.4 !
assign (resid 14 and name HD* )(resid 61 and name HN ) 0.0 2.4 7.4 !
!PHE 15, intra-residue NOES
assign (resid 15 and name HN )(resid 15 and name HA ) 0.0 0.0 3.5 !
assign (resid 15 and name HN )(resid 15 and name HB1 ) 0.0 0.0 2.5 !
assign (resid 15 and name HN )(resid 15 and name HB2 ) 0.0 0.0 2.5 !
assign (resid 15 and name HN )(resid 15 and name HD* ) 0.0 2.0 5.5 !
assign (resid 15 and name HA )(resid 15 and name HB1 ) 0.0 0.0 5.0 !
assign (resid 15 and name HA )(resid 15 and name HB2 ) 0.0 0.0 5.0 !
assign (resid 15 and name HA )(resid 15 and name HD* ) 0.0 2.0 4.5 !
assign (resid 15 and name HB1 )(resid 15 and name HD* ) 0.0 2.0 4.5 !
assign (resid 15 and name HB2 )(resid 15 and name HD* ) 0.0 2.0 4.5 !
!PHE 15, sequential NOES
assign (resid 15 and name HN )(resid 16 and name HN ) 0.0 0.0 3.5 !
assign (resid 15 and name HN )(resid 16 and name HB* ) 0.0 1.0 5.0 !
assign (resid 15 and name HA )(resid 16 and name HN ) 0.0 0.0 3.5 !
assign (resid 15 and name HB* )(resid 16 and name HN ) 0.0 1.0 4.5 !
assign (resid 15 and name HD* )(resid 16 and name HN ) 0.0 2.0 5.5 !
assign (resid 15 and name HD* )(resid 16 and name HG1 ) 0.0 2.0 5.5 !
assign (resid 15 and name HE* )(resid 16 and name HN ) 0.0 2.0 5.5 !
assign (resid 15 and name HE* )(resid 16 and name HG1 ) 0.0 2.0 7.0 !
!PHE 15, short-range NOES
assign (resid 15 and name HD* )(resid 17 and name HN ) 0.0 2.0 7.0 !
assign (resid 15 and name HE* )(resid 17 and name HN ) 0.0 2.0 7.0 !
assign (resid 15 and name HA )(resid 19 and name HD* ) 0.0 2.0 7.0 !
assign (resid 15 and name HD* )(resid 19 and name HB1 ) 0.0 2.0 7.0 !
assign (resid 15 and name HD* )(resid 19 and name HB2 ) 0.0 2.0 7.0 !
!PHE 15, long-range NOES
assign (resid 15 and name HB* )(resid 39 and name HD1* ) 0.0 2.0 7.0 !
assign (resid 15 and name HB* )(resid 39 and name HD2* ) 0.0 2.0 7.0 !
assign (resid 15 and name HD* )(resid 39 and name HA ) 0.0 2.0 7.0 !
assign (resid 15 and name HD* )(resid 39 and name HG ) 0.0 2.0 7.0 !
assign (resid 15 and name HD* )(resid 39 and name HD1* ) 0.0 3.0 6.5 !
assign (resid 15 and name HD* )(resid 39 and name HD2* ) 0.0 3.0 6.5 !
assign (resid 15 and name HE* )(resid 39 and name HN ) 0.0 2.0 7.0 !
assign (resid 15 and name HE* )(resid 39 and name HG ) 0.0 2.0 7.0 !
assign (resid 15 and name HE* )(resid 39 and name HD1* ) 0.0 3.0 6.5 !
assign (resid 15 and name HE* )(resid 39 and name HD2* ) 0.0 3.0 6.5 !
assign (resid 15 and name HZ )(resid 39 and name HA ) 0.0 0.0 5.0 !
assign (resid 15 and name HE* )(resid 42 and name HN ) 0.0 2.0 7.0 !
assign (resid 15 and name HE* )(resid 42 and name HB* ) 0.0 3.0 5.5 !
assign (resid 15 and name HE* )(resid 42 and name HG1 ) 0.0 2.0 7.0 !
assign (resid 15 and name HE* )(resid 42 and name HG2 ) 0.0 2.0 7.0 !
assign (resid 15 and name HZ )(resid 42 and name HN ) 0.0 0.0 5.0 !
assign (resid 15 and name HZ )(resid 42 and name HA ) 0.0 0.0 5.0 !
assign (resid 15 and name HZ )(resid 42 and name HB* ) 0.0 1.0 3.5 !
assign (resid 15 and name HZ )(resid 42 and name HG1 ) 0.0 0.0 5.0 !
assign (resid 15 and name HZ )(resid 42 and name HG2 ) 0.0 0.0 5.0 !
assign (resid 15 and name HZ )(resid 42 and name HE3 ) 0.0 0.0 3.5 !
assign (resid 15 and name HN )(resid 43 and name HE3 ) 0.0 0.0 5.0 !
assign (resid 15 and name HN )(resid 43 and name HZ3 ) 0.0 0.0 3.5 !
assign (resid 15 and name HB1 )(resid 43 and name HE3 ) 0.0 0.0 5.0 !
assign (resid 15 and name HB1 )(resid 43 and name HZ3 ) 0.0 0.0 3.5 !
assign (resid 15 and name HB2 )(resid 43 and name HE3 ) 0.0 0.0 5.0 !
assign (resid 15 and name HB2 )(resid 43 and name HZ3 ) 0.0 0.0 3.5 !
assign (resid 15 and name HD* )(resid 43 and name HE3 ) 0.0 2.0 7.0 !
assign (resid 15 and name HE* )(resid 43 and name HN ) 0.0 2.0 5.5 !
assign (resid 15 and name HE* )(resid 43 and name HB* ) 0.0 3.0 6.5 !
assign (resid 15 and name HE* )(resid 43 and name HE3 ) 0.0 2.0 5.5 !
assign (resid 15 and name HZ )(resid 43 and name HN ) 0.0 0.0 5.0 !
assign (resid 15 and name HZ )(resid 43 and name HA ) 0.0 0.0 3.5 !
assign (resid 15 and name HZ )(resid 43 and name HB* ) 0.0 1.0 6.0 !
assign (resid 15 and name HE* )(resid 44 and name HN ) 0.0 2.0 7.0 !
assign (resid 15 and name HA )(resid 54 and name HD* ) 0.0 2.0 5.5 !
assign (resid 15 and name HA )(resid 54 and name HE* ) 0.0 2.0 4.5 !
assign (resid 15 and name HB1 )(resid 54 and name HD* ) 0.0 2.0 7.0 !
assign (resid 15 and name HB1 )(resid 54 and name HE* ) 0.0 2.0 5.5 !
assign (resid 15 and name HB2 )(resid 54 and name HD* ) 0.0 2.0 7.0 !
assign (resid 15 and name HB2 )(resid 54 and name HE* ) 0.0 2.0 5.5 !
!CYS 16, intra-residue NOES
assign (resid 16 and name HN )(resid 16 and name HA ) 0.0 0.0 3.5 !
assign (resid 16 and name HN )(resid 16 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 16 and name HN )(resid 16 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 16 and name HN )(resid 16 and name HG1 ) 0.0 0.0 3.5 !
assign (resid 16 and name HA )(resid 16 and name HB1 ) 0.0 0.0 5.0 !
assign (resid 16 and name HA )(resid 16 and name HB2 ) 0.0 0.0 5.0 !
!CYS 16, sequential NOES
assign (resid 16 and name HN )(resid 17 and name HN ) 0.0 0.0 3.5 !
assign (resid 16 and name HN )(resid 17 and name HA ) 0.0 0.0 5.0 !
assign (resid 16 and name HA )(resid 17 and name HN ) 0.0 0.0 3.5 !
assign (resid 16 and name HB* )(resid 17 and name HN ) 0.0 1.0 4.5 !
!CYS 16, short-range NOES
assign (resid 16 and name HN )(resid 18 and name HN ) 0.0 0.0 5.0 !
assign (resid 16 and name HA )(resid 18 and name HN ) 0.0 0.0 5.0 !
assign (resid 16 and name HN )(resid 19 and name HD* ) 0.0 2.0 7.0 !
assign (resid 16 and name HA )(resid 19 and name HN ) 0.0 0.0 3.5 !
assign (resid 16 and name HA )(resid 19 and name HD* ) 0.0 2.0 7.0 !
assign (resid 16 and name HB* )(resid 19 and name HN ) 0.0 1.0 6.0 !
assign (resid 16 and name HA )(resid 20 and name HN ) 0.0 0.0 5.0 !
!CYS 16, long-range NOES
assign (resid 16 and name HN )(resid 39 and name HD1* ) 0.0 1.0 6.0 !
assign (resid 16 and name HN )(resid 39 and name HD2* ) 0.0 1.0 6.0 !
assign (resid 16 and name HA )(resid 39 and name HB* ) 0.0 1.0 6.0 !
assign (resid 16 and name HA )(resid 39 and name HG ) 0.0 0.0 5.0 !
assign (resid 16 and name HA )(resid 39 and name HD1* ) 0.0 1.0 4.5 !
assign (resid 16 and name HA )(resid 39 and name HD2* ) 0.0 1.0 4.5 !
assign (resid 16 and name HB* )(resid 39 and name HD1* ) 0.0 2.0 7.0 !
assign (resid 16 and name HB* )(resid 39 and name HD2* ) 0.0 2.0 7.0 !
!SER 17, intra-residue NOES
assign (resid 17 and name HN )(resid 17 and name HA ) 0.0 0.0 2.5 !
assign (resid 17 and name HN )(resid 17 and name HB* ) 0.0 1.0 3.5 !
assign (resid 17 and name HA )(resid 17 and name HB* ) 0.0 1.0 4.5 !
!SER 17, sequential NOES
assign (resid 17 and name HN )(resid 18 and name HN ) 0.0 0.0 3.5 !
assign (resid 17 and name HA )(resid 18 and name HN ) 0.0 0.0 3.5 !
!SER 17, short-range NOES
assign (resid 17 and name HN )(resid 19 and name HN ) 0.0 0.0 5.0 !
assign (resid 17 and name HA )(resid 19 and name HN ) 0.0 0.0 5.0 !
assign (resid 17 and name HB1 )(resid 19 and name HN ) 0.0 0.0 5.0 !
assign (resid 17 and name HB2 )(resid 19 and name HN ) 0.0 0.0 5.0 !
assign (resid 17 and name HA )(resid 20 and name HN ) 0.0 0.0 5.0 !
!SER 17, long-range NOES
assign (resid 17 and name HN )(resid 39 and name HD1* ) 0.0 1.0 6.0 !
assign (resid 17 and name HN )(resid 39 and name HD2* ) 0.0 1.0 6.0 !
!GLU 18, intra-residue NOES
assign (resid 18 and name HN )(resid 18 and name HA ) 0.0 0.0 2.5 !
assign (resid 18 and name HN )(resid 18 and name HB* ) 0.0 1.0 3.5 !
assign (resid 18 and name HN )(resid 18 and name HG* ) 0.0 1.0 4.5 !
assign (resid 18 and name HA )(resid 18 and name HB* ) 0.0 1.0 4.5 !
assign (resid 18 and name HA )(resid 18 and name HG* ) 0.0 1.0 6.0 !
!GLU 18, sequential NOES
assign (resid 18 and name HN )(resid 19 and name HN ) 0.0 0.0 3.5 !
assign (resid 18 and name HN )(resid 19 and name HA ) 0.0 0.0 6.0 !
assign (resid 18 and name HN )(resid 19 and name HB* ) 0.0 1.0 6.0 !
assign (resid 18 and name HN )(resid 19 and name HD* ) 0.0 2.0 7.0 !
assign (resid 18 and name HA )(resid 19 and name HN ) 0.0 0.0 3.5 !
assign (resid 18 and name HA )(resid 19 and name HD* ) 0.0 2.0 7.0 !
assign (resid 18 and name HB* )(resid 19 and name HN ) 0.0 1.0 4.5 !
assign (resid 18 and name HB1 )(resid 19 and name HE* ) 0.0 2.0 5.5 !
assign (resid 18 and name HB2 )(resid 19 and name HE* ) 0.0 2.0 5.5 !
assign (resid 18 and name HG* )(resid 19 and name HN ) 0.0 1.0 6.0 !
assign (resid 18 and name HG* )(resid 19 and name HD* ) 0.0 2.0 7.0 !
assign (resid 18 and name HG* )(resid 19 and name HE* ) 0.0 3.0 8.0 !
!GLU 18, short-range NOES
assign (resid 18 and name HN )(resid 20 and name HN ) 0.0 0.0 5.0 !
assign (resid 18 and name HG* )(resid 20 and name HN ) 0.0 1.0 6.0 !
assign (resid 18 and name HN )(resid 21 and name HD* ) 0.0 1.0 6.0 !
!GLU 18, long-range NOES
assign (resid 18 and name HN )(resid 39 and name HD* ) 0.0 2.4 7.4 !
assign (resid 18 and name HB* )(resid 54 and name HD* ) 0.0 3.0 8.0 !
assign (resid 18 and name HB1 )(resid 54 and name HE* ) 0.0 2.0 7.0 !
assign (resid 18 and name HB2 )(resid 54 and name HE* ) 0.0 2.0 7.0 !
assign (resid 18 and name HG* )(resid 54 and name HD* ) 0.0 3.0 8.0 !
assign (resid 18 and name HG* )(resid 54 and name HE* ) 0.0 3.0 8.0 !
!TYR 19, intra-residue NOES
assign (resid 19 and name HN )(resid 19 and name HA ) 0.0 0.0 2.5 !
assign (resid 19 and name HN )(resid 19 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 19 and name HN )(resid 19 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 19 and name HN )(resid 19 and name HD* ) 0.0 2.0 5.5 !
assign (resid 19 and name HN )(resid 19 and name HE* ) 0.0 2.0 7.0 !
assign (resid 19 and name HA )(resid 19 and name HB* ) 0.0 1.0 4.5 !
assign (resid 19 and name HA )(resid 19 and name HD* ) 0.0 2.0 4.5 !
!TYR 19, sequential NOES
assign (resid 19 and name HN )(resid 20 and name HN ) 0.0 0.0 3.5 !
assign (resid 19 and name HN )(resid 20 and name HB* ) 0.0 1.0 4.5 !
assign (resid 19 and name HA )(resid 20 and name HN ) 0.0 0.0 3.5 !
assign (resid 19 and name HB* )(resid 20 and name HN ) 0.0 1.0 6.0 !
assign (resid 19 and name HD* )(resid 20 and name HN ) 0.0 2.0 7.0 !
!TYR 19, short-range NOES
assign (resid 19 and name HN )(resid 21 and name HD* ) 0.0 1.0 6.0 !
assign (resid 19 and name HA )(resid 21 and name HD* ) 0.0 1.0 6.0 !
assign (resid 19 and name HN )(resid 23 and name HD1* ) 0.0 1.0 6.0 !
assign (resid 19 and name HD* )(resid 23 and name HG2* ) 0.0 3.0 8.0 !
assign (resid 19 and name HD* )(resid 23 and name HD1* ) 0.0 3.0 6.5 !
assign (resid 19 and name HE* )(resid 23 and name HG1* ) 0.0 3.0 6.5 !
assign (resid 19 and name HE* )(resid 23 and name HG2* ) 0.0 3.0 8.0 !
assign (resid 19 and name HE* )(resid 23 and name HD1* ) 0.0 3.0 8.0 !
!TYR 19, long-range NOES
assign (resid 19 and name HN )(resid 39 and name HD* ) 0.0 2.4 5.9 !
assign (resid 19 and name HB1 )(resid 39 and name HD1* ) 0.0 1.0 4.5 !
assign (resid 19 and name HB1 )(resid 39 and name HD2* ) 0.0 1.0 4.5 !
assign (resid 19 and name HB2 )(resid 39 and name HD1* ) 0.0 1.0 4.5 !
assign (resid 19 and name HB2 )(resid 39 and name HD2* ) 0.0 1.0 4.5 !
assign (resid 19 and name HD* )(resid 39 and name HD1* ) 0.0 3.0 6.5 !
assign (resid 19 and name HD* )(resid 39 and name HD2* ) 0.0 3.0 6.5 !
assign (resid 19 and name HE* )(resid 39 and name HD1* ) 0.0 3.0 8.0 !
assign (resid 19 and name HE* )(resid 39 and name HD2* ) 0.0 3.0 8.0 !
assign (resid 19 and name HD* )(resid 42 and name HG* ) 0.0 3.0 8.0 !
assign (resid 19 and name HD* )(resid 42 and name HE3 ) 0.0 2.0 4.5 !
assign (resid 19 and name HE* )(resid 42 and name HE3 ) 0.0 2.0 5.5 !
!ARG 20, intra-residue NOES
assign (resid 20 and name HN )(resid 20 and name HA ) 0.0 0.0 3.5 !
assign (resid 20 and name HN )(resid 20 and name HB* ) 0.0 1.0 3.5 !
assign (resid 20 and name HN )(resid 20 and name HG* ) 0.0 1.0 4.5 !
assign (resid 20 and name HN )(resid 20 and name HD* ) 0.0 1.0 6.0 !
assign (resid 20 and name HA )(resid 20 and name HB* ) 0.0 1.0 4.5 !
assign (resid 20 and name HA )(resid 20 and name HG1 ) 0.0 0.0 5.0 !
assign (resid 20 and name HA )(resid 20 and name HG2 ) 0.0 0.0 5.0 !
!ARG 20, sequential NOES
assign (resid 20 and name HN )(resid 21 and name HB* ) 0.0 1.0 6.0 !
assign (resid 20 and name HN )(resid 21 and name HD* ) 0.0 1.0 3.5 !
assign (resid 20 and name HA )(resid 21 and name HD* ) 0.0 1.0 6.0 !
!ARG 20, short-range NOES
assign (resid 20 and name HN )(resid 22 and name HN ) 0.0 0.0 5.0 !
assign (resid 20 and name HA )(resid 22 and name HN ) 0.0 0.0 5.0 !
assign (resid 20 and name HN )(resid 23 and name HD1* ) 0.0 1.0 6.0 !
!ARG 20, long-range NOES
assign (resid 20 and name HN )(resid 35 and name HG* ) 0.0 2.4 5.9 !
assign (resid 20 and name HN )(resid 39 and name HD1* ) 0.0 1.0 4.5 !
assign (resid 20 and name HN )(resid 39 and name HD2* ) 0.0 1.0 4.5 !
assign (resid 20 and name HA )(resid 35 and name HG* ) 0.0 2.4 7.4 !
assign (resid 20 and name HA )(resid 39 and name HD1* ) 0.0 1.0 4.5 !
assign (resid 20 and name HA )(resid 39 and name HD2* ) 0.0 1.0 4.5 !
!PRO 21, intra-residue NOES
assign (resid 21 and name HA )(resid 21 and name HB* ) 0.0 1.0 4.5 !
assign (resid 21 and name HA )(resid 21 and name HD* ) 0.0 1.0 6.0 !
!PRO 21, sequential NOES
assign (resid 21 and name HA )(resid 22 and name HN ) 0.0 0.0 3.5 !
assign (resid 21 and name HB* )(resid 22 and name HN ) 0.0 1.0 4.5 !
assign (resid 21 and name HD* )(resid 22 and name HN ) 0.0 1.0 4.5 !
!PRO 21, short-range NOES
assign (resid 21 and name HD* )(resid 23 and name HN ) 0.0 1.0 6.0 !
assign (resid 21 and name HD* )(resid 24 and name HN ) 0.0 1.0 6.0 !
!PRO 21, long-range NOES
assign (resid 21 and name HD* )(resid 39 and name HD* ) 0.0 3.4 8.4 !
!LYS 22, intra-residue NOES
assign (resid 22 and name HN )(resid 22 and name HA ) 0.0 0.0 2.5 !
assign (resid 22 and name HN )(resid 22 and name HB* ) 0.0 1.0 3.5 !
assign (resid 22 and name HN )(resid 22 and name HG* ) 0.0 1.0 4.5 !
assign (resid 22 and name HN )(resid 22 and name HD* ) 0.0 1.0 6.0 !
!LYS 22, sequential NOES
assign (resid 22 and name HN )(resid 23 and name HN ) 0.0 0.0 3.5 !
assign (resid 22 and name HN )(resid 23 and name HG1* ) 0.0 1.0 6.0 !
assign (resid 22 and name HN )(resid 23 and name HD1* ) 0.0 1.0 7.0 !
assign (resid 22 and name HG* )(resid 23 and name HN ) 0.0 1.0 6.0 !
!LYS 22, short-range NOES
assign (resid 22 and name HN )(resid 24 and name HN ) 0.0 0.0 5.0 !
assign (resid 22 and name HN )(resid 25 and name HN ) 0.0 0.0 5.0 !
assign (resid 22 and name HA )(resid 26 and name HN ) 0.0 0.0 5.0 !
!LYS 22, long-range NOES
assign (resid 22 and name HN )(resid 39 and name HD1* ) 0.0 1.0 6.0 !
!ILE 23, intra-residue NOES
assign (resid 23 and name HN )(resid 23 and name HA ) 0.0 0.0 2.5 !
assign (resid 23 and name HN )(resid 23 and name HB ) 0.0 1.0 4.5 !
assign (resid 23 and name HN )(resid 23 and name HG2* ) 0.0 1.0 4.5 !
assign (resid 23 and name HN )(resid 23 and name HD1* ) 0.0 1.0 4.5 !
assign (resid 23 and name HA )(resid 23 and name HB ) 0.0 0.0 3.5 !
assign (resid 23 and name HA )(resid 23 and name HG2* ) 0.0 1.0 3.5 !
!ILE 23, sequential NOES
assign (resid 23 and name HN )(resid 24 and name HB* ) 0.0 1.0 4.5 !
assign (resid 23 and name HN )(resid 24 and name HE* ) 0.0 1.0 6.0 !
assign (resid 23 and name HB )(resid 24 and name HN ) 0.0 0.0 3.5 !
assign (resid 23 and name HG2* )(resid 24 and name HN ) 0.0 1.0 4.5 !
assign (resid 23 and name HD1* )(resid 24 and name HN ) 0.0 1.0 4.5 !
!ILE 23, short-range NOES
assign (resid 23 and name HN )(resid 25 and name HN ) 0.0 0.0 5.0 !
assign (resid 23 and name HN )(resid 25 and name HA* ) 0.0 1.0 6.0 !
assign (resid 23 and name HG2* )(resid 25 and name HN ) 0.0 1.0 6.0 !
assign (resid 23 and name HA )(resid 27 and name HD2 ) 0.0 0.0 2.5 !
assign (resid 23 and name HG1* )(resid 27 and name HD2 ) 0.0 1.0 6.0 !
assign (resid 23 and name HG2* )(resid 27 and name HD2 ) 0.0 1.0 4.5 !
assign (resid 23 and name HD1* )(resid 27 and name HD2 ) 0.0 1.0 4.5 !
!ILE 23, long-range NOES
assign (resid 23 and name HD1* )(resid 35 and name HA ) 0.0 1.0 6.0 !
assign (resid 23 and name HD1* )(resid 38 and name HN ) 0.0 1.0 6.0 !
assign (resid 23 and name HD1* )(resid 39 and name HN ) 0.0 1.0 4.5 !
!LYS 24, intra-residue NOES
assign (resid 24 and name HN )(resid 24 and name HA ) 0.0 0.0 2.5 !
assign (resid 24 and name HN )(resid 24 and name HB1 ) 0.0 0.0 2.5 !
assign (resid 24 and name HN )(resid 24 and name HB2 ) 0.0 0.0 2.5 !
assign (resid 24 and name HN )(resid 24 and name HG* ) 0.0 1.0 4.5 !
assign (resid 24 and name HA )(resid 24 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 24 and name HA )(resid 24 and name HB2 ) 0.0 0.0 3.5 !
!LYS 24, sequential NOES
assign (resid 24 and name HN )(resid 25 and name HN ) 0.0 0.0 3.5 !
assign (resid 24 and name HN )(resid 25 and name HA* ) 0.0 1.0 4.5 !
assign (resid 24 and name HB1 )(resid 25 and name HN ) 0.0 0.0 3.5 !
assign (resid 24 and name HB2 )(resid 25 and name HN ) 0.0 0.0 3.5 !
assign (resid 24 and name HD* )(resid 25 and name HN ) 0.0 1.0 6.0 !
assign (resid 24 and name HE* )(resid 25 and name HN ) 0.0 1.0 6.0 !
!LYS 24, short-range NOES
assign (resid 24 and name HN )(resid 27 and name HD2 ) 0.0 0.0 5.0 !
assign (resid 24 and name HB* )(resid 27 and name HN ) 0.0 1.0 6.0 !
!LYS 24, long-range NOES
assign (resid 24 and name HN )(resid 30 and name HD* ) 0.0 2.4 7.4 !
assign (resid 24 and name HN )(resid 35 and name HG* ) 0.0 2.4 5.9 !
!GLY 25, intra-residue NOES
assign (resid 25 and name HN )(resid 25 and name HA* ) 0.0 1.0 3.5 !
!GLY 25, sequential NOES
assign (resid 25 and name HN )(resid 26 and name HN ) 0.0 0.0 2.5 !
assign (resid 25 and name HN )(resid 26 and name HG1 ) 0.0 0.0 5.0 !
assign (resid 25 and name HN )(resid 26 and name HG2 ) 0.0 0.0 5.0 !
assign (resid 25 and name HA* )(resid 26 and name HN ) 0.0 1.0 3.5 !
!GLY 25, short-range NOES
assign (resid 25 and name HN )(resid 27 and name HN ) 0.0 0.0 5.0 !
assign (resid 25 and name HA* )(resid 27 and name HN ) 0.0 1.0 6.0 !
!GLY 25, long-range NOES
!GLU 26, intra-residue NOES
assign (resid 26 and name HN )(resid 26 and name HA ) 0.0 0.0 2.5 !
assign (resid 26 and name HN )(resid 26 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 26 and name HN )(resid 26 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 26 and name HN )(resid 26 and name HG1 ) 0.0 0.0 3.5 !
assign (resid 26 and name HN )(resid 26 and name HG2 ) 0.0 0.0 3.5 !
assign (resid 26 and name HA )(resid 26 and name HB* ) 0.0 1.0 4.5 !
assign (resid 26 and name HA )(resid 26 and name HG* ) 0.0 1.0 6.0 !
!GLU 26, sequential NOES
assign (resid 26 and name HN )(resid 27 and name HN ) 0.0 0.0 2.5 !
assign (resid 26 and name HN )(resid 27 and name HA ) 0.0 0.0 5.0 !
assign (resid 26 and name HN )(resid 27 and name HB* ) 0.0 1.0 7.0 !
assign (resid 26 and name HA )(resid 27 and name HN ) 0.0 0.0 3.5 !
assign (resid 26 and name HB1 )(resid 27 and name HN ) 0.0 0.0 3.5 !
assign (resid 26 and name HB2 )(resid 27 and name HN ) 0.0 0.0 3.5 !
assign (resid 26 and name HG1 )(resid 27 and name HN ) 0.0 0.0 5.0 !
assign (resid 26 and name HG1 )(resid 27 and name HD2 ) 0.0 0.0 5.0 !
assign (resid 26 and name HG2 )(resid 27 and name HN ) 0.0 0.0 5.0 !
assign (resid 26 and name HG2 )(resid 27 and name HD2 ) 0.0 0.0 5.0 !
!GLU 26, short-range NOES
assign (resid 26 and name HN )(resid 28 and name HD1 ) 0.0 1.0 7.0 !
assign (resid 26 and name HN )(resid 28 and name HD2 ) 0.0 1.0 7.0 !
!GLU 26, long-range NOES
!HIS 27, intra-residue NOES
assign (resid 27 and name HN )(resid 27 and name HA ) 0.0 0.0 3.5 !
assign (resid 27 and name HN )(resid 27 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 27 and name HN )(resid 27 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 27 and name HN )(resid 27 and name HD2 ) 0.0 0.0 3.5 !
assign (resid 27 and name HN )(resid 27 and name HE1 ) 0.0 0.0 5.0 !
assign (resid 27 and name HA )(resid 27 and name HB1 ) 0.0 0.0 5.0 !
assign (resid 27 and name HA )(resid 27 and name HB2 ) 0.0 0.0 5.0 !
!HIS 27, sequential NOES
assign (resid 27 and name HN )(resid 28 and name HA ) 0.0 0.0 5.0 !
assign (resid 27 and name HN )(resid 28 and name HD1 ) 0.0 0.0 3.5 !
assign (resid 27 and name HN )(resid 28 and name HD2 ) 0.0 0.0 3.5 !
assign (resid 27 and name HA )(resid 28 and name HG* ) 0.0 1.0 6.0 !
assign (resid 27 and name HA )(resid 28 and name HD1 ) 0.0 0.0 3.5 !
assign (resid 27 and name HA )(resid 28 and name HD2 ) 0.0 0.0 3.5 !
!HIS 27, short-range NOES
assign (resid 27 and name HA )(resid 29 and name HN ) 0.0 0.0 5.0 !
assign (resid 27 and name HB1 )(resid 29 and name HN ) 0.0 0.0 5.0 !
assign (resid 27 and name HB2 )(resid 29 and name HN ) 0.0 0.0 5.0 !
assign (resid 27 and name HN )(resid 30 and name HD* ) 0.0 2.4 7.4 !
assign (resid 27 and name HA )(resid 30 and name HN ) 0.0 0.0 5.0 !
assign (resid 27 and name HB1 )(resid 30 and name HN ) 0.0 0.0 5.0 !
assign (resid 27 and name HB1 )(resid 30 and name HD* ) 0.0 2.4 5.9 !
assign (resid 27 and name HB2 )(resid 30 and name HN ) 0.0 0.0 5.0 !
assign (resid 27 and name HB2 )(resid 30 and name HD* ) 0.0 2.4 5.9 !
assign (resid 27 and name HD2 )(resid 30 and name HG ) 0.0 0.0 5.0 !
assign (resid 27 and name HD2 )(resid 30 and name HD* ) 0.0 2.4 5.9 !
!HIS 27, long-range NOES
assign (resid 27 and name HB1 )(resid 35 and name HG1* ) 0.0 1.0 6.0 !
assign (resid 27 and name HB1 )(resid 35 and name HG2* ) 0.0 1.0 6.0 !
assign (resid 27 and name HB2 )(resid 35 and name HG1* ) 0.0 1.0 6.0 !
assign (resid 27 and name HB2 )(resid 35 and name HG2* ) 0.0 1.0 6.0 !
!PRO 28, intra-residue NOES
assign (resid 28 and name HA )(resid 28 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 28 and name HA )(resid 28 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 28 and name HA )(resid 28 and name HD1 ) 0.0 0.0 5.0 !
assign (resid 28 and name HA )(resid 28 and name HD2 ) 0.0 0.0 5.0 !
assign (resid 28 and name HB* )(resid 28 and name HD1 ) 0.0 1.0 6.0 !
assign (resid 28 and name HB* )(resid 28 and name HD2 ) 0.0 1.0 6.0 !
!PRO 28, sequential NOES
assign (resid 28 and name HA )(resid 29 and name HN ) 0.0 0.0 2.5 !
assign (resid 28 and name HB* )(resid 29 and name HN ) 0.0 1.0 4.5 !
assign (resid 28 and name HG* )(resid 29 and name HN ) 0.0 1.0 4.5 !
assign (resid 28 and name HD1 )(resid 29 and name HN ) 0.0 0.0 5.0 !
assign (resid 28 and name HD2 )(resid 29 and name HN ) 0.0 0.0 5.0 !
!PRO 28, short-range NOES
assign (resid 28 and name HA )(resid 30 and name HN ) 0.0 0.0 3.5 !
!PRO 28, long-range NOES
!GLY 29, intra-residue NOES
assign (resid 29 and name HN )(resid 29 and name HA1 ) 0.0 0.0 2.5 !
assign (resid 29 and name HN )(resid 29 and name HA2 ) 0.0 0.0 2.5 !
!GLY 29, sequential NOES
assign (resid 29 and name HN )(resid 30 and name HN ) 0.0 0.0 3.5 !
assign (resid 29 and name HN )(resid 30 and name HB1 ) 0.0 0.0 5.0 !
assign (resid 29 and name HN )(resid 30 and name HB2 ) 0.0 0.0 5.0 !
assign (resid 29 and name HN )(resid 30 and name HG ) 0.0 0.0 5.0 !
assign (resid 29 and name HN )(resid 30 and name HD1* ) 0.0 1.0 6.0 !
assign (resid 29 and name HN )(resid 30 and name HD2* ) 0.0 1.0 6.0 !
assign (resid 29 and name HA1 )(resid 30 and name HN ) 0.0 0.0 3.5 !
assign (resid 29 and name HA2 )(resid 30 and name HN ) 0.0 0.0 3.5 !
!GLY 29, short-range NOES
!GLY 29, long-range NOES
assign (resid 29 and name HN )(resid 35 and name HG* ) 0.0 2.4 8.4 !
!LEU 30, intra-residue NOES
assign (resid 30 and name HN )(resid 30 and name HA ) 0.0 0.0 2.5 !
assign (resid 30 and name HN )(resid 30 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 30 and name HN )(resid 30 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 30 and name HN )(resid 30 and name HG ) 0.0 0.0 2.5 !
assign (resid 30 and name HN )(resid 30 and name HD1* ) 0.0 1.0 4.5 !
assign (resid 30 and name HN )(resid 30 and name HD2* ) 0.0 1.0 4.5 !
assign (resid 30 and name HA )(resid 30 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 30 and name HA )(resid 30 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 30 and name HA )(resid 30 and name HG ) 0.0 0.0 5.0 !
assign (resid 30 and name HA )(resid 30 and name HD1* ) 0.0 1.0 4.5 !
assign (resid 30 and name HA )(resid 30 and name HD2* ) 0.0 1.0 4.5 !
!LEU 30, sequential NOES
assign (resid 30 and name HN )(resid 31 and name HN ) 0.0 0.0 5.0 !
assign (resid 30 and name HA )(resid 31 and name HN ) 0.0 0.0 2.5 !
assign (resid 30 and name HB1 )(resid 31 and name HN ) 0.0 0.0 3.5 !
assign (resid 30 and name HB2 )(resid 31 and name HN ) 0.0 0.0 3.5 !
assign (resid 30 and name HG )(resid 31 and name HN ) 0.0 0.0 5.0 !
assign (resid 30 and name HD1* )(resid 31 and name HN ) 0.0 1.0 4.5 !
assign (resid 30 and name HD2* )(resid 31 and name HN ) 0.0 1.0 4.5 !
!LEU 30, short-range NOES
assign (resid 30 and name HA )(resid 34 and name HB1 ) 0.0 0.0 5.0 !
assign (resid 30 and name HA )(resid 34 and name HB2 ) 0.0 0.0 5.0 !
assign (resid 30 and name HD* )(resid 34 and name HB1 ) 0.0 2.4 5.9 !
assign (resid 30 and name HD* )(resid 34 and name HB2 ) 0.0 2.4 5.9 !
assign (resid 30 and name HD1* )(resid 34 and name HN ) 0.0 1.0 6.0 !
assign (resid 30 and name HD2* )(resid 34 and name HN ) 0.0 1.0 6.0 !
!LEU 30, long-range NOES
assign (resid 30 and name HN )(resid 35 and name HG* ) 0.0 2.4 7.4 !
assign (resid 30 and name HB* )(resid 35 and name HN ) 0.0 1.0 6.0 !
assign (resid 30 and name HB* )(resid 35 and name HG* ) 0.0 3.4 6.9 !
assign (resid 30 and name HG )(resid 35 and name HN ) 0.0 0.0 5.0 !
assign (resid 30 and name HD* )(resid 35 and name HA ) 0.0 2.4 5.9 !
assign (resid 30 and name HD* )(resid 35 and name HG* ) 0.0 4.8 7.3 !
assign (resid 30 and name HD1* )(resid 35 and name HN ) 0.0 1.0 4.5 !
assign (resid 30 and name HD2* )(resid 35 and name HN ) 0.0 1.0 4.5 !
assign (resid 30 and name HB* )(resid 36 and name HN ) 0.0 1.0 6.0 !
assign (resid 30 and name HD* )(resid 38 and name HN ) 0.0 2.4 7.4 !
!SER 31, intra-residue NOES
assign (resid 31 and name HN )(resid 31 and name HA ) 0.0 0.0 2.5 !
assign (resid 31 and name HN )(resid 31 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 31 and name HN )(resid 31 and name HB2 ) 0.0 0.0 3.5 !
!SER 31, sequential NOES
assign (resid 31 and name HN )(resid 32 and name HN ) 0.0 0.0 5.0 !
assign (resid 31 and name HA )(resid 32 and name HN ) 0.0 0.0 2.5 !
assign (resid 31 and name HA )(resid 32 and name HA ) 0.0 0.0 5.0 !
assign (resid 31 and name HB1 )(resid 32 and name HN ) 0.0 0.0 3.5 !
assign (resid 31 and name HB2 )(resid 32 and name HN ) 0.0 0.0 3.5 !
!SER 31, short-range NOES
assign (resid 31 and name HN )(resid 33 and name HN ) 0.0 0.0 5.0 !
assign (resid 31 and name HA )(resid 33 and name HN ) 0.0 0.0 3.5 !
assign (resid 31 and name HB1 )(resid 33 and name HN ) 0.0 0.0 3.5 !
assign (resid 31 and name HB2 )(resid 33 and name HN ) 0.0 0.0 3.5 !
assign (resid 31 and name HN )(resid 34 and name HN ) 0.0 0.0 3.5 !
assign (resid 31 and name HN )(resid 34 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 31 and name HN )(resid 34 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 31 and name HB1 )(resid 34 and name HN ) 0.0 0.0 5.0 !
assign (resid 31 and name HB2 )(resid 34 and name HN ) 0.0 0.0 5.0 !
assign (resid 31 and name HN )(resid 35 and name HN ) 0.0 0.0 5.0 !
assign (resid 31 and name HN )(resid 35 and name HG* ) 0.0 2.4 7.4 !
assign (resid 31 and name HA )(resid 35 and name HN ) 0.0 0.0 5.0 !
!SER 31, long-range NOES
!ILE 32, intra-residue NOES
assign (resid 32 and name HN )(resid 32 and name HA ) 0.0 0.0 2.5 !
assign (resid 32 and name HN )(resid 32 and name HB ) 0.0 0.0 2.5 !
assign (resid 32 and name HN )(resid 32 and name HG1* ) 0.0 1.0 4.5 !
assign (resid 32 and name HN )(resid 32 and name HG2* ) 0.0 1.0 3.5 !
assign (resid 32 and name HN )(resid 32 and name HD1* ) 0.0 1.0 4.5 !
assign (resid 32 and name HA )(resid 32 and name HB ) 0.0 0.0 3.5 !
assign (resid 32 and name HA )(resid 32 and name HG1* ) 0.0 1.0 4.5 !
assign (resid 32 and name HA )(resid 32 and name HG2* ) 0.0 1.0 3.5 !
assign (resid 32 and name HA )(resid 32 and name HD1* ) 0.0 1.0 4.5 !
!ILE 32, sequential NOES
assign (resid 32 and name HN )(resid 33 and name HN ) 0.0 0.0 5.0 !
assign (resid 32 and name HN )(resid 33 and name HA* ) 0.0 1.0 6.0 !
assign (resid 32 and name HA )(resid 33 and name HN ) 0.0 0.0 2.5 !
assign (resid 32 and name HB )(resid 33 and name HN ) 0.0 0.0 3.5 !
assign (resid 32 and name HG11 )(resid 33 and name HN ) 0.0 0.0 5.0 !
assign (resid 32 and name HG12 )(resid 33 and name HN ) 0.0 0.0 5.0 !
assign (resid 32 and name HG2* )(resid 33 and name HN ) 0.0 1.0 3.5 !
assign (resid 32 and name HD1* )(resid 33 and name HN ) 0.0 1.0 6.0 !
!ILE 32, short-range NOES
assign (resid 32 and name HN )(resid 34 and name HN ) 0.0 0.0 5.0 !
assign (resid 32 and name HN )(resid 34 and name HB* ) 0.0 1.0 6.0 !
assign (resid 32 and name HA )(resid 34 and name HN ) 0.0 0.0 3.5 !
assign (resid 32 and name HA )(resid 35 and name HN ) 0.0 0.0 3.5 !
assign (resid 32 and name HA )(resid 35 and name HB ) 0.0 0.0 3.5 !
assign (resid 32 and name HG1* )(resid 35 and name HN ) 0.0 1.0 6.0 !
assign (resid 32 and name HN )(resid 36 and name HN ) 0.0 0.0 5.0 !
assign (resid 32 and name HA )(resid 36 and name HN ) 0.0 0.0 3.5 !
assign (resid 32 and name HA )(resid 36 and name HB* ) 0.0 1.0 6.0 !
!ILE 32, long-range NOES
!GLY 33, intra-residue NOES
assign (resid 33 and name HN )(resid 33 and name HA* ) 0.0 1.0 3.5 !
!GLY 33, sequential NOES
assign (resid 33 and name HN )(resid 34 and name HN ) 0.0 0.0 2.5 !
assign (resid 33 and name HN )(resid 34 and name HA ) 0.0 0.0 5.0 !
assign (resid 33 and name HN )(resid 34 and name HB* ) 0.0 1.0 6.0 !
assign (resid 33 and name HA* )(resid 34 and name HN ) 0.0 1.0 3.5 !
!GLY 33, short-range NOES
assign (resid 33 and name HN )(resid 35 and name HN ) 0.0 0.0 5.0 !
assign (resid 33 and name HA* )(resid 35 and name HN ) 0.0 1.0 6.0 !
assign (resid 33 and name HN )(resid 36 and name HB* ) 0.0 1.0 6.0 !
assign (resid 33 and name HA* )(resid 36 and name HN ) 0.0 1.0 4.5 !
assign (resid 33 and name HA* )(resid 36 and name HB* ) 0.0 2.0 5.5 !
assign (resid 33 and name HN )(resid 37 and name HN ) 0.0 0.0 5.0 !
assign (resid 33 and name HA* )(resid 37 and name HN ) 0.0 1.0 6.0 !
!GLY 33, long-range NOES
!ASP 34, intra-residue NOES
assign (resid 34 and name HN )(resid 34 and name HA ) 0.0 0.0 2.5 !
assign (resid 34 and name HN )(resid 34 and name HB1 ) 0.0 0.0 2.5 !
assign (resid 34 and name HN )(resid 34 and name HB2 ) 0.0 0.0 2.5 !
assign (resid 34 and name HA )(resid 34 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 34 and name HA )(resid 34 and name HB2 ) 0.0 0.0 3.5 !
!ASP 34, sequential NOES
assign (resid 34 and name HN )(resid 35 and name HN ) 0.0 0.0 3.5 !
assign (resid 34 and name HN )(resid 35 and name HA ) 0.0 0.0 5.0 !
assign (resid 34 and name HN )(resid 35 and name HB ) 0.0 0.0 3.5 !
assign (resid 34 and name HN )(resid 35 and name HG* ) 0.0 2.4 5.9 !
assign (resid 34 and name HA )(resid 35 and name HN ) 0.0 0.0 3.5 !
assign (resid 34 and name HB1 )(resid 35 and name HN ) 0.0 0.0 3.5 !
assign (resid 34 and name HB2 )(resid 35 and name HN ) 0.0 0.0 3.5 !
!ASP 34, short-range NOES
assign (resid 34 and name HN )(resid 36 and name HB* ) 0.0 1.0 6.0 !
assign (resid 34 and name HA )(resid 36 and name HN ) 0.0 0.0 3.5 !
assign (resid 34 and name HA )(resid 36 and name HB* ) 0.0 1.0 6.0 !
assign (resid 34 and name HB1 )(resid 36 and name HN ) 0.0 0.0 5.0 !
assign (resid 34 and name HB2 )(resid 36 and name HN ) 0.0 0.0 5.0 !
assign (resid 34 and name HA )(resid 37 and name HN ) 0.0 0.0 2.5 !
assign (resid 34 and name HB1 )(resid 37 and name HN ) 0.0 0.0 5.0 !
assign (resid 34 and name HB2 )(resid 37 and name HN ) 0.0 0.0 5.0 !
!ASP 34, long-range NOES
!VAL 35, intra-residue NOES
assign (resid 35 and name HN )(resid 35 and name HA ) 0.0 0.0 2.5 !
assign (resid 35 and name HN )(resid 35 and name HB ) 0.0 0.0 2.5 !
assign (resid 35 and name HN )(resid 35 and name HG1* ) 0.0 1.0 4.5 !
assign (resid 35 and name HN )(resid 35 and name HG2* ) 0.0 1.0 4.5 !
assign (resid 35 and name HA )(resid 35 and name HB ) 0.0 0.0 3.5 !
assign (resid 35 and name HA )(resid 35 and name HG1* ) 0.0 1.0 4.5 !
assign (resid 35 and name HA )(resid 35 and name HG2* ) 0.0 1.0 4.5 !
!VAL 35, sequential NOES
assign (resid 35 and name HN )(resid 36 and name HN ) 0.0 0.0 3.5 !
assign (resid 35 and name HN )(resid 36 and name HA ) 0.0 0.0 5.0 !
assign (resid 35 and name HN )(resid 36 and name HB* ) 0.0 1.0 4.5 !
assign (resid 35 and name HA )(resid 36 and name HN ) 0.0 0.0 3.5 !
assign (resid 35 and name HB )(resid 36 and name HN ) 0.0 0.0 3.5 !
assign (resid 35 and name HG1* )(resid 36 and name HN ) 0.0 1.0 4.5 !
assign (resid 35 and name HG2* )(resid 36 and name HN ) 0.0 1.0 4.5 !
!VAL 35, short-range NOES
assign (resid 35 and name HN )(resid 37 and name HN ) 0.0 0.0 5.0 !
assign (resid 35 and name HA )(resid 37 and name HN ) 0.0 0.0 5.0 !
assign (resid 35 and name HB )(resid 37 and name HN ) 0.0 0.0 5.0 !
assign (resid 35 and name HG1* )(resid 37 and name HN ) 0.0 2.4 7.4 !
assign (resid 35 and name HG2* )(resid 37 and name HN ) 0.0 2.4 7.4 !
assign (resid 35 and name HN )(resid 38 and name HN ) 0.0 0.0 5.0 !
assign (resid 35 and name HA )(resid 38 and name HN ) 0.0 0.0 3.5 !
assign (resid 35 and name HG* )(resid 38 and name HN ) 0.0 2.4 7.4 !
assign (resid 35 and name HA )(resid 39 and name HN ) 0.0 0.0 5.0 !
assign (resid 35 and name HB )(resid 39 and name HD* ) 0.0 2.4 7.4 !
assign (resid 35 and name HG1* )(resid 39 and name HN ) 0.0 1.0 6.0 !
assign (resid 35 and name HG2* )(resid 39 and name HN ) 0.0 1.0 6.0 !
!VAL 35, long-range NOES
!ALA 36, intra-residue NOES
assign (resid 36 and name HN )(resid 36 and name HA ) 0.0 0.0 2.5 !
assign (resid 36 and name HN )(resid 36 and name HB* ) 0.0 1.0 3.5 !
!ALA 36, sequential NOES
assign (resid 36 and name HN )(resid 37 and name HN ) 0.0 0.0 2.5 !
assign (resid 36 and name HN )(resid 37 and name HD* ) 0.0 1.0 6.0 !
assign (resid 36 and name HA )(resid 37 and name HN ) 0.0 0.0 3.5 !
assign (resid 36 and name HB* )(resid 37 and name HN ) 0.0 1.0 3.5 !
!ALA 36, short-range NOES
assign (resid 36 and name HN )(resid 39 and name HN ) 0.0 0.0 5.0 !
assign (resid 36 and name HA )(resid 39 and name HN ) 0.0 0.0 3.5 !
!ALA 36, long-range NOES
!LYS 37, intra-residue NOES
assign (resid 37 and name HN )(resid 37 and name HA ) 0.0 0.0 2.5 !
assign (resid 37 and name HN )(resid 37 and name HB* ) 0.0 1.0 3.5 !
!LYS 37, sequential NOES
assign (resid 37 and name HN )(resid 38 and name HA ) 0.0 0.0 5.0 !
assign (resid 37 and name HA )(resid 38 and name HN ) 0.0 0.0 3.5 !
assign (resid 37 and name HG* )(resid 38 and name HN ) 0.0 1.0 6.0 !
!LYS 37, short-range NOES
assign (resid 37 and name HA )(resid 39 and name HN ) 0.0 0.0 5.0 !
assign (resid 37 and name HA )(resid 40 and name HN ) 0.0 0.0 3.5 !
!LYS 37, long-range NOES
!LYS 38, intra-residue NOES
assign (resid 38 and name HN )(resid 38 and name HA ) 0.0 0.0 2.5 !
assign (resid 38 and name HN )(resid 38 and name HB* ) 0.0 1.0 3.5 !
!LYS 38, sequential NOES
assign (resid 38 and name HN )(resid 39 and name HN ) 0.0 0.0 2.5 !
assign (resid 38 and name HN )(resid 39 and name HA ) 0.0 0.0 5.0 !
assign (resid 38 and name HN )(resid 39 and name HD* ) 0.0 2.4 7.4 !
assign (resid 38 and name HA )(resid 39 and name HN ) 0.0 0.0 3.5 !
assign (resid 38 and name HG* )(resid 39 and name HN ) 0.0 1.0 6.0 !
!LYS 38, short-range NOES
assign (resid 38 and name HA )(resid 41 and name HB1 ) 0.0 0.0 5.0 !
assign (resid 38 and name HA )(resid 41 and name HB2 ) 0.0 0.0 5.0 !
assign (resid 38 and name HA )(resid 42 and name HN ) 0.0 0.0 3.5 !
assign (resid 38 and name HG* )(resid 42 and name HN ) 0.0 1.0 6.0 !
!LYS 38, long-range NOES
!LEU 39, intra-residue NOES
assign (resid 39 and name HN )(resid 39 and name HA ) 0.0 0.0 3.5 !
assign (resid 39 and name HN )(resid 39 and name HB* ) 0.0 1.0 3.5 !
assign (resid 39 and name HN )(resid 39 and name HD1* ) 0.0 1.0 4.5 !
assign (resid 39 and name HN )(resid 39 and name HD2* ) 0.0 1.0 4.5 !
assign (resid 39 and name HA )(resid 39 and name HB* ) 0.0 1.0 6.0 !
assign (resid 39 and name HA )(resid 39 and name HD1* ) 0.0 1.0 6.0 !
assign (resid 39 and name HA )(resid 39 and name HD2* ) 0.0 1.0 6.0 !
!LEU 39, sequential NOES
assign (resid 39 and name HN )(resid 40 and name HN ) 0.0 0.0 3.5 !
assign (resid 39 and name HN )(resid 40 and name HA1 ) 0.0 1.0 6.0 !
assign (resid 39 and name HN )(resid 40 and name HA2 ) 0.0 1.0 6.0 !
assign (resid 39 and name HA )(resid 40 and name HN ) 0.0 0.0 3.5 !
assign (resid 39 and name HA )(resid 40 and name HA1 ) 0.0 0.0 5.0 !
assign (resid 39 and name HA )(resid 40 and name HA2 ) 0.0 0.0 5.0 !
assign (resid 39 and name HB* )(resid 40 and name HN ) 0.0 1.0 3.5 !
assign (resid 39 and name HG )(resid 40 and name HN ) 0.0 0.0 3.5 !
assign (resid 39 and name HD1* )(resid 40 and name HN ) 0.0 1.0 6.0 !
assign (resid 39 and name HD2* )(resid 40 and name HN ) 0.0 1.0 6.0 !
!LEU 39, short-range NOES
assign (resid 39 and name HA )(resid 41 and name HN ) 0.0 0.0 5.0 !
assign (resid 39 and name HA )(resid 42 and name HN ) 0.0 0.0 3.5 !
assign (resid 39 and name HD* )(resid 42 and name HN ) 0.0 2.4 7.4 !
assign (resid 39 and name HA )(resid 43 and name HN ) 0.0 0.0 5.0 !
assign (resid 39 and name HD* )(resid 43 and name HN ) 0.0 2.4 7.4 !
!LEU 39, long-range NOES
!GLY 40, intra-residue NOES
assign (resid 40 and name HN )(resid 40 and name HA* ) 0.0 1.0 3.5 !
!GLY 40, sequential NOES
assign (resid 40 and name HN )(resid 41 and name HN ) 0.0 0.0 2.5 !
assign (resid 40 and name HN )(resid 41 and name HB* ) 0.0 1.0 6.0 !
assign (resid 40 and name HN )(resid 41 and name HG* ) 0.0 1.0 6.0 !
assign (resid 40 and name HA1 )(resid 41 and name HN ) 0.0 0.0 5.0 !
assign (resid 40 and name HA2 )(resid 41 and name HN ) 0.0 0.0 5.0 !
!GLY 40, short-range NOES
assign (resid 40 and name HN )(resid 42 and name HN ) 0.0 0.0 5.0 !
assign (resid 40 and name HN )(resid 42 and name HG* ) 0.0 1.0 6.0 !
assign (resid 40 and name HA1 )(resid 42 and name HN ) 0.0 0.0 5.0 !
assign (resid 40 and name HA2 )(resid 42 and name HN ) 0.0 0.0 5.0 !
assign (resid 40 and name HN )(resid 43 and name HN ) 0.0 0.0 5.0 !
assign (resid 40 and name HA* )(resid 43 and name HN ) 0.0 1.0 6.0 !
!GLY 40, long-range NOES
!GLU 41, intra-residue NOES
assign (resid 41 and name HN )(resid 41 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 41 and name HN )(resid 41 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 41 and name HN )(resid 41 and name HG* ) 0.0 1.0 3.5 !
assign (resid 41 and name HA )(resid 41 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 41 and name HA )(resid 41 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 41 and name HA )(resid 41 and name HG* ) 0.0 1.0 4.5 !
!GLU 41, sequential NOES
assign (resid 41 and name HN )(resid 42 and name HN ) 0.0 0.0 3.5 !
assign (resid 41 and name HN )(resid 42 and name HG1 ) 0.0 0.0 5.0 !
assign (resid 41 and name HN )(resid 42 and name HG2 ) 0.0 0.0 5.0 !
assign (resid 41 and name HN )(resid 42 and name HE* ) 0.0 1.0 6.0 !
assign (resid 41 and name HB1 )(resid 42 and name HN ) 0.0 0.0 4.5 !
assign (resid 41 and name HB2 )(resid 42 and name HN ) 0.0 0.0 4.5 !
!GLU 41, short-range NOES
assign (resid 41 and name HN )(resid 43 and name HN ) 0.0 0.0 5.0 !
assign (resid 41 and name HB1 )(resid 43 and name HN ) 0.0 0.0 5.0 !
assign (resid 41 and name HB2 )(resid 43 and name HN ) 0.0 0.0 5.0 !
assign (resid 41 and name HN )(resid 44 and name HD21 ) 0.0 0.0 5.0 !
assign (resid 41 and name HA )(resid 44 and name HD21 ) 0.0 0.0 3.5 !
assign (resid 41 and name HA )(resid 44 and name HD22 ) 0.0 0.0 3.5 !
assign (resid 41 and name HB* )(resid 44 and name HD21 ) 0.0 1.0 6.0 !
assign (resid 41 and name HB* )(resid 44 and name HD22 ) 0.0 1.0 6.0 !
assign (resid 41 and name HB1 )(resid 45 and name HD21 ) 0.0 0.0 5.0 !
assign (resid 41 and name HB2 )(resid 45 and name HD21 ) 0.0 0.0 5.0 !
assign (resid 41 and name HB* )(resid 45 and name HD22 ) 0.0 1.0 6.0 !
!GLU 41, long-range NOES
!MET 42, intra-residue NOES
assign (resid 42 and name HN )(resid 42 and name HA ) 0.0 0.0 3.5 !
assign (resid 42 and name HN )(resid 42 and name HB* ) 0.0 1.0 3.5 !
assign (resid 42 and name HN )(resid 42 and name HG1 ) 0.0 0.0 3.5 !
assign (resid 42 and name HN )(resid 42 and name HG2 ) 0.0 0.0 3.5 !
assign (resid 42 and name HA )(resid 42 and name HB* ) 0.0 1.0 4.5 !
assign (resid 42 and name HA )(resid 42 and name HG1 ) 0.0 0.0 3.5 !
assign (resid 42 and name HA )(resid 42 and name HG2 ) 0.0 0.0 3.5 !
!MET 42, sequential NOES
assign (resid 42 and name HN )(resid 43 and name HN ) 0.0 0.0 3.5 !
assign (resid 42 and name HN )(resid 43 and name HB* ) 0.0 1.0 6.0 !
assign (resid 42 and name HA )(resid 43 and name HN ) 0.0 0.0 3.5 !
assign (resid 42 and name HB* )(resid 43 and name HN ) 0.0 1.0 4.5 !
assign (resid 42 and name HG1 )(resid 43 and name HN ) 0.0 0.0 5.0 !
assign (resid 42 and name HG2 )(resid 43 and name HN ) 0.0 0.0 5.0 !
!MET 42, short-range NOES
assign (resid 42 and name HN )(resid 44 and name HN ) 0.0 0.0 5.0 !
assign (resid 42 and name HN )(resid 45 and name HN ) 0.0 0.0 5.0 !
assign (resid 42 and name HA )(resid 45 and name HN ) 0.0 0.0 3.5 !
assign (resid 42 and name HB* )(resid 45 and name HN ) 0.0 1.0 6.0 !
assign (resid 42 and name HB* )(resid 45 and name HD21 ) 0.0 1.0 6.0 !
assign (resid 42 and name HB* )(resid 45 and name HD22 ) 0.0 1.0 6.0 !
!MET 42, long-range NOES
!TRP 43, intra-residue NOES
assign (resid 43 and name HN )(resid 43 and name HA ) 0.0 0.0 2.5 !
assign (resid 43 and name HN )(resid 43 and name HB* ) 0.0 1.0 3.5 !
assign (resid 43 and name HN )(resid 43 and name HD1 ) 0.0 0.0 5.0 !
assign (resid 43 and name HN )(resid 43 and name HE3 ) 0.0 0.0 5.0 !
assign (resid 43 and name HA )(resid 43 and name HB* ) 0.0 1.0 4.5 !
assign (resid 43 and name HA )(resid 43 and name HD1 ) 0.0 0.0 5.0 !
assign (resid 43 and name HA )(resid 43 and name HE1 ) 0.0 0.0 5.0 !
assign (resid 43 and name HA )(resid 43 and name HE3 ) 0.0 0.0 3.5 !
assign (resid 43 and name HB* )(resid 43 and name HD1 ) 0.0 1.0 3.5 !
assign (resid 43 and name HB* )(resid 43 and name HE1 ) 0.0 1.0 4.5 !
assign (resid 43 and name HB* )(resid 43 and name HE3 ) 0.0 1.0 4.5 !
assign (resid 43 and name HB* )(resid 43 and name HZ3 ) 0.0 1.0 6.0 !
!TRP 43, sequential NOES
assign (resid 43 and name HN )(resid 44 and name HN ) 0.0 0.0 3.5 !
assign (resid 43 and name HN )(resid 44 and name HA ) 0.0 0.0 5.0 !
assign (resid 43 and name HA )(resid 44 and name HN ) 0.0 0.0 3.5 !
assign (resid 43 and name HB* )(resid 44 and name HN ) 0.0 1.0 3.5 !
assign (resid 43 and name HD1 )(resid 44 and name HN ) 0.0 0.0 5.0 !
assign (resid 43 and name HD1 )(resid 44 and name HA ) 0.0 0.0 3.5 !
assign (resid 43 and name HD1 )(resid 44 and name HB* ) 0.0 1.0 6.0 !
assign (resid 43 and name HE1 )(resid 44 and name HA ) 0.0 0.0 5.0 !
assign (resid 43 and name HE3 )(resid 44 and name HN ) 0.0 0.0 5.0 !
!TRP 43, short-range NOES
assign (resid 43 and name HN )(resid 45 and name HN ) 0.0 0.0 5.0 !
assign (resid 43 and name HN )(resid 45 and name HB* ) 0.0 1.0 6.0 !
assign (resid 43 and name HA )(resid 45 and name HN ) 0.0 0.0 5.0 !
assign (resid 43 and name HB* )(resid 45 and name HN ) 0.0 1.0 6.0 !
assign (resid 43 and name HA )(resid 46 and name HN ) 0.0 0.0 3.5 !
assign (resid 43 and name HA )(resid 46 and name HG2* ) 0.0 1.0 6.0 !
assign (resid 43 and name HD1 )(resid 46 and name HG2* ) 0.0 1.0 6.0 !
assign (resid 43 and name HE3 )(resid 46 and name HB ) 0.0 0.0 5.0 !
assign (resid 43 and name HE3 )(resid 46 and name HG2* ) 0.0 1.0 6.0 !
assign (resid 43 and name HZ3 )(resid 46 and name HB ) 0.0 0.0 5.0 !
assign (resid 43 and name HZ3 )(resid 46 and name HG2* ) 0.0 1.0 6.0 !
!TRP 43, long-range NOES
assign (resid 43 and name HD1 )(resid 51 and name HE* ) 0.0 1.0 6.0 !
assign (resid 43 and name HE1 )(resid 51 and name HG* ) 0.0 1.0 6.0 !
assign (resid 43 and name HE1 )(resid 51 and name HE* ) 0.0 1.0 6.0 !
assign (resid 43 and name HE3 )(resid 51 and name HG* ) 0.0 1.0 6.0 !
assign (resid 43 and name HH2 )(resid 51 and name HN ) 0.0 0.0 5.0 !
assign (resid 43 and name HH2 )(resid 51 and name HG* ) 0.0 1.0 6.0 !
assign (resid 43 and name HH2 )(resid 51 and name HD1 ) 0.0 0.0 5.0 !
assign (resid 43 and name HH2 )(resid 51 and name HD2 ) 0.0 0.0 5.0 !
assign (resid 43 and name HZ2 )(resid 51 and name HG* ) 0.0 1.0 4.5 !
assign (resid 43 and name HZ2 )(resid 51 and name HD1 ) 0.0 0.0 5.0 !
assign (resid 43 and name HZ2 )(resid 51 and name HD2 ) 0.0 0.0 5.0 !
assign (resid 43 and name HZ2 )(resid 51 and name HE* ) 0.0 1.0 4.5 !
assign (resid 43 and name HZ3 )(resid 51 and name HA ) 0.0 0.0 3.5 !
assign (resid 43 and name HZ3 )(resid 51 and name HB* ) 0.0 1.0 6.0 !
assign (resid 43 and name HZ3 )(resid 51 and name HG* ) 0.0 1.0 6.0 !
assign (resid 43 and name HZ3 )(resid 51 and name HD1 ) 0.0 0.0 5.0 !
assign (resid 43 and name HZ3 )(resid 51 and name HD2 ) 0.0 0.0 5.0 !
assign (resid 43 and name HH2 )(resid 54 and name HN ) 0.0 0.0 5.0 !
assign (resid 43 and name HH2 )(resid 54 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 43 and name HH2 )(resid 54 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 43 and name HZ3 )(resid 54 and name HB1 ) 0.0 0.0 5.0 !
assign (resid 43 and name HZ3 )(resid 54 and name HB2 ) 0.0 0.0 5.0 !
!ASN 44, intra-residue NOES
assign (resid 44 and name HN )(resid 44 and name HA ) 0.0 0.0 2.5 !
assign (resid 44 and name HN )(resid 44 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 44 and name HN )(resid 44 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 44 and name HA )(resid 44 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 44 and name HA )(resid 44 and name HB2 ) 0.0 0.0 3.5 !
!ASN 44, sequential NOES
assign (resid 44 and name HN )(resid 45 and name HN ) 0.0 0.0 2.5 !
assign (resid 44 and name HN )(resid 45 and name HA ) 0.0 0.0 5.0 !
assign (resid 44 and name HN )(resid 45 and name HB1 ) 0.0 0.0 5.0 !
assign (resid 44 and name HN )(resid 45 and name HB2 ) 0.0 0.0 5.0 !
assign (resid 44 and name HN )(resid 45 and name HD21 ) 0.0 0.0 6.0 !
assign (resid 44 and name HN )(resid 45 and name HD22 ) 0.0 0.0 6.0 !
assign (resid 44 and name HA )(resid 45 and name HN ) 0.0 0.0 3.5 !
assign (resid 44 and name HB* )(resid 45 and name HN ) 0.0 1.0 4.5 !
assign (resid 44 and name HB* )(resid 45 and name HD21 ) 0.0 1.0 6.0 !
assign (resid 44 and name HB* )(resid 45 and name HD22 ) 0.0 1.0 6.0 !
assign (resid 44 and name HD2* )(resid 45 and name HN ) 0.0 1.0 6.0 !
!ASN 44, short-range NOES
assign (resid 44 and name HN )(resid 46 and name HN ) 0.0 0.0 5.0 !
assign (resid 44 and name HA )(resid 46 and name HN ) 0.0 0.0 3.5 !
!ASN 44, long-range NOES
!ASN 45, intra-residue NOES
assign (resid 45 and name HN )(resid 45 and name HA ) 0.0 0.0 2.5 !
assign (resid 45 and name HN )(resid 45 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 45 and name HN )(resid 45 and name HB2 ) 0.0 0.0 2.5 !
!ASN 45, sequential NOES
assign (resid 45 and name HN )(resid 46 and name HN ) 0.0 0.0 3.5 !
assign (resid 45 and name HN )(resid 46 and name HB ) 0.0 0.0 5.0 !
assign (resid 45 and name HA )(resid 46 and name HN ) 0.0 0.0 3.5 !
assign (resid 45 and name HB* )(resid 46 and name HN ) 0.0 1.0 4.5 !
!ASN 45, short-range NOES
!ASN 45, long-range NOES
!THR 46, intra-residue NOES
assign (resid 46 and name HN )(resid 46 and name HA ) 0.0 0.0 3.5 !
assign (resid 46 and name HN )(resid 46 and name HB ) 0.0 0.0 2.5 !
assign (resid 46 and name HN )(resid 46 and name HG2* ) 0.0 0.0 3.5 !
assign (resid 46 and name HA )(resid 46 and name HB ) 0.0 0.0 5.0 !
assign (resid 46 and name HA )(resid 46 and name HG2* ) 0.0 0.0 3.5 !
!THR 46, sequential NOES
assign (resid 46 and name HN )(resid 47 and name HN ) 0.0 0.0 3.5 !
assign (resid 46 and name HA )(resid 47 and name HN ) 0.0 0.0 2.5 !
assign (resid 46 and name HB )(resid 47 and name HN ) 0.0 0.0 3.5 !
assign (resid 46 and name HG2* )(resid 47 and name HN ) 0.0 1.0 3.5 !
!THR 46, short-range NOES
assign (resid 46 and name HN )(resid 48 and name HB* ) 0.0 1.0 6.0 !
assign (resid 46 and name HG2* )(resid 48 and name HN ) 0.0 1.0 6.0 !
assign (resid 46 and name HG2* )(resid 50 and name HN ) 0.0 1.0 4.5 !
assign (resid 46 and name HG2* )(resid 50 and name HA ) 0.0 1.0 6.0 !
assign (resid 46 and name HG2* )(resid 50 and name HB1 ) 0.0 1.0 4.5 !
assign (resid 46 and name HG2* )(resid 50 and name HB2 ) 0.0 1.0 4.5 !
!THR 46, long-range NOES
assign (resid 46 and name HB )(resid 51 and name HG* ) 0.0 1.0 6.0 !
assign (resid 46 and name HB )(resid 51 and name HE* ) 0.0 1.0 6.0 !
assign (resid 46 and name HG2* )(resid 51 and name HN ) 0.0 1.0 4.5 !
assign (resid 46 and name HG2* )(resid 51 and name HA ) 0.0 1.0 6.0 !
assign (resid 46 and name HG2* )(resid 51 and name HG* ) 0.0 2.0 4.5 !
assign (resid 46 and name HG2* )(resid 54 and name HD* ) 0.0 3.0 8.0 !
assign (resid 46 and name HG2* )(resid 54 and name HE* ) 0.0 3.0 6.5 !
assign (resid 46 and name HG2* )(resid 52 and name HN ) 0.0 1.0 6.0 !
!ALA 47, intra-residue NOES
assign (resid 47 and name HN )(resid 47 and name HA ) 0.0 0.0 3.5 !
assign (resid 47 and name HN )(resid 47 and name HB* ) 0.0 0.0 2.5 !
assign (resid 47 and name HA )(resid 47 and name HB* ) 0.0 0.0 3.5 !
!ALA 47, sequential NOES
assign (resid 47 and name HN )(resid 48 and name HN ) 0.0 0.0 3.5 !
assign (resid 47 and name HN )(resid 48 and name HA ) 0.0 0.0 5.0 !
assign (resid 47 and name HN )(resid 48 and name HB* ) 0.0 1.0 6.0 !
assign (resid 47 and name HA )(resid 48 and name HN ) 0.0 0.0 2.5 !
assign (resid 47 and name HB* )(resid 48 and name HN ) 0.0 1.0 3.5 !
assign (resid 47 and name HB* )(resid 48 and name HA ) 0.0 1.0 6.0 !
!ALA 47, short-range NOES
assign (resid 47 and name HN )(resid 49 and name HN ) 0.0 0.0 5.0 !
assign (resid 47 and name HA )(resid 49 and name HN ) 0.0 0.0 3.5 !
assign (resid 47 and name HB* )(resid 49 and name HN ) 0.0 1.0 3.5 !
assign (resid 47 and name HN )(resid 50 and name HN ) 0.0 0.0 5.0 !
assign (resid 47 and name HN )(resid 50 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 47 and name HN )(resid 50 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 47 and name HB* )(resid 50 and name HN ) 0.0 1.0 3.5 !
assign (resid 47 and name HN )(resid 51 and name HN ) 0.0 0.0 5.0 !
assign (resid 47 and name HN )(resid 51 and name HG* ) 0.0 1.0 6.0 !
assign (resid 47 and name HB* )(resid 51 and name HN ) 0.0 1.0 6.0 !
!ALA 47, long-range NOES
!ALA 48, intra-residue NOES
assign (resid 48 and name HN )(resid 48 and name HA ) 0.0 0.0 2.5 !
assign (resid 48 and name HN )(resid 48 and name HB* ) 0.0 0.0 2.5 !
assign (resid 48 and name HA )(resid 48 and name HB* ) 0.0 0.0 3.5 !
!ALA 48, sequential NOES
assign (resid 48 and name HN )(resid 49 and name HN ) 0.0 0.0 3.5 !
assign (resid 48 and name HA )(resid 49 and name HN ) 0.0 0.0 3.5 !
assign (resid 48 and name HB* )(resid 49 and name HN ) 0.0 1.0 3.5 !
assign (resid 48 and name HB* )(resid 49 and name HA ) 0.0 1.0 6.0 !
!ALA 48, short-range NOES
assign (resid 48 and name HN )(resid 50 and name HN ) 0.0 0.0 5.0 !
assign (resid 48 and name HA )(resid 50 and name HN ) 0.0 0.0 3.5 !
assign (resid 48 and name HB* )(resid 50 and name HN ) 0.0 1.0 6.0 !
assign (resid 48 and name HN )(resid 51 and name HN ) 0.0 0.0 5.0 !
assign (resid 48 and name HN )(resid 51 and name HG* ) 0.0 1.0 6.0 !
assign (resid 48 and name HN )(resid 51 and name HD* ) 0.0 1.0 6.0 !
assign (resid 48 and name HA )(resid 51 and name HN ) 0.0 0.0 3.5 !
assign (resid 48 and name HA )(resid 51 and name HB* ) 0.0 1.0 6.0 !
assign (resid 48 and name HA )(resid 51 and name HD* ) 0.0 1.0 6.0 !
assign (resid 48 and name HB* )(resid 51 and name HN ) 0.0 1.0 6.0 !
!ALA 48, long-range NOES
!ASP 49, intra-residue NOES
assign (resid 49 and name HN )(resid 49 and name HA ) 0.0 0.0 2.5 !
assign (resid 49 and name HN )(resid 49 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 49 and name HN )(resid 49 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 49 and name HA )(resid 49 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 49 and name HA )(resid 49 and name HB2 ) 0.0 0.0 3.5 !
!ASP 49, sequential NOES
assign (resid 49 and name HN )(resid 50 and name HN ) 0.0 0.0 3.5 !
assign (resid 49 and name HN )(resid 50 and name HA ) 0.0 0.0 5.0 !
assign (resid 49 and name HN )(resid 50 and name HB* ) 0.0 1.0 6.0 !
assign (resid 49 and name HA )(resid 50 and name HN ) 0.0 0.0 3.5 !
assign (resid 49 and name HB1 )(resid 50 and name HN ) 0.0 0.0 3.5 !
assign (resid 49 and name HB2 )(resid 50 and name HN ) 0.0 0.0 3.5 !
!ASP 49, short-range NOES
assign (resid 49 and name HN )(resid 51 and name HN ) 0.0 0.0 5.0 !
assign (resid 49 and name HN )(resid 52 and name HN ) 0.0 0.0 5.0 !
!ASP 49, long-range NOES
!ASP 50, intra-residue NOES
assign (resid 50 and name HN )(resid 50 and name HA ) 0.0 0.0 3.5 !
assign (resid 50 and name HN )(resid 50 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 50 and name HN )(resid 50 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 50 and name HA )(resid 50 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 50 and name HA )(resid 50 and name HB2 ) 0.0 0.0 3.5 !
!ASP 50, sequential NOES
assign (resid 50 and name HN )(resid 51 and name HN ) 0.0 0.0 2.5 !
assign (resid 50 and name HN )(resid 51 and name HB* ) 0.0 1.0 6.0 !
assign (resid 50 and name HA )(resid 51 and name HN ) 0.0 0.0 3.5 !
assign (resid 50 and name HB1 )(resid 51 and name HN ) 0.0 0.0 5.0 !
assign (resid 50 and name HB2 )(resid 51 and name HN ) 0.0 0.0 5.0 !
!ASP 50, short-range NOES
assign (resid 50 and name HN )(resid 52 and name HN ) 0.0 0.0 5.0 !
assign (resid 50 and name HN )(resid 52 and name HB* ) 0.0 1.0 6.0 !
assign (resid 50 and name HB1 )(resid 52 and name HN ) 0.0 0.0 5.0 !
assign (resid 50 and name HB2 )(resid 52 and name HN ) 0.0 0.0 5.0 !
assign (resid 50 and name HN )(resid 53 and name HD* ) 0.0 0.0 5.0 !
assign (resid 50 and name HA )(resid 53 and name HD1 ) 0.0 0.0 5.0 !
assign (resid 50 and name HA )(resid 53 and name HD2 ) 0.0 0.0 5.0 !
!ASP 50, long-range NOES
!LYS 51, intra-residue NOES
assign (resid 51 and name HN )(resid 51 and name HA ) 0.0 0.0 3.5 !
assign (resid 51 and name HN )(resid 51 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 51 and name HN )(resid 51 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 51 and name HN )(resid 51 and name HG1 ) 0.0 0.0 3.5 !
assign (resid 51 and name HN )(resid 51 and name HG2 ) 0.0 0.0 3.5 !
assign (resid 51 and name HN )(resid 51 and name HD1 ) 0.0 0.0 5.0 !
assign (resid 51 and name HN )(resid 51 and name HD2 ) 0.0 0.0 5.0 !
assign (resid 51 and name HA )(resid 51 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 51 and name HA )(resid 51 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 51 and name HA )(resid 51 and name HG1 ) 0.0 0.0 5.0 !
assign (resid 51 and name HA )(resid 51 and name HG2 ) 0.0 0.0 5.0 !
assign (resid 51 and name HA )(resid 51 and name HD1 ) 0.0 0.0 5.0 !
assign (resid 51 and name HA )(resid 51 and name HD2 ) 0.0 0.0 5.0 !
!LYS 51, sequential NOES
assign (resid 51 and name HN )(resid 52 and name HN ) 0.0 0.0 2.5 !
assign (resid 51 and name HN )(resid 52 and name HB1 ) 0.0 0.0 5.0 !
assign (resid 51 and name HN )(resid 52 and name HB2 ) 0.0 0.0 5.0 !
assign (resid 51 and name HA )(resid 52 and name HN ) 0.0 0.0 3.5 !
assign (resid 51 and name HB1 )(resid 52 and name HN ) 0.0 0.0 3.5 !
assign (resid 51 and name HB2 )(resid 52 and name HN ) 0.0 0.0 3.5 !
assign (resid 51 and name HB* )(resid 52 and name HE21 ) 0.0 1.0 4.5 !
assign (resid 51 and name HB* )(resid 52 and name HE22 ) 0.0 1.0 4.5 !
assign (resid 51 and name HD* )(resid 52 and name HN ) 0.0 1.0 6.0 !
assign (resid 51 and name HG* )(resid 52 and name HN ) 0.0 1.0 6.0 !
!LYS 51, short-range NOES
assign (resid 51 and name HN )(resid 53 and name HD1 ) 0.0 0.0 5.0 !
assign (resid 51 and name HN )(resid 53 and name HD2 ) 0.0 0.0 5.0 !
assign (resid 51 and name HA )(resid 54 and name HN ) 0.0 0.0 3.5 !
assign (resid 51 and name HA )(resid 54 and name HD* ) 0.0 2.0 4.5 !
assign (resid 51 and name HA )(resid 54 and name HE* ) 0.0 2.0 5.5 !
!LYS 51, long-range NOES
!GLN 52, intra-residue NOES
assign (resid 52 and name HN )(resid 52 and name HA ) 0.0 0.0 2.5 !
assign (resid 52 and name HN )(resid 52 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 52 and name HN )(resid 52 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 52 and name HN )(resid 52 and name HG1 ) 0.0 0.0 3.5 !
assign (resid 52 and name HN )(resid 52 and name HG2 ) 0.0 0.0 3.5 !
assign (resid 52 and name HA )(resid 52 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 52 and name HA )(resid 52 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 52 and name HA )(resid 52 and name HG1 ) 0.0 0.0 5.0 !
assign (resid 52 and name HA )(resid 52 and name HG2 ) 0.0 0.0 5.0 !
!GLN 52, sequential NOES
assign (resid 52 and name HN )(resid 53 and name HG* ) 0.0 1.0 6.0 !
assign (resid 52 and name HN )(resid 53 and name HD1 ) 0.0 0.0 3.5 !
assign (resid 52 and name HN )(resid 53 and name HD2 ) 0.0 0.0 3.5 !
assign (resid 52 and name HA )(resid 53 and name HD1 ) 0.0 0.0 5.0 !
assign (resid 52 and name HA )(resid 53 and name HD2 ) 0.0 0.0 5.0 !
assign (resid 52 and name HB1 )(resid 53 and name HD1 ) 0.0 0.0 5.0 !
assign (resid 52 and name HB1 )(resid 53 and name HD2 ) 0.0 0.0 5.0 !
assign (resid 52 and name HB2 )(resid 53 and name HD1 ) 0.0 0.0 5.0 !
assign (resid 52 and name HB2 )(resid 53 and name HD2 ) 0.0 0.0 5.0 !
!GLN 52, short-range NOES
assign (resid 52 and name HN )(resid 54 and name HN ) 0.0 0.0 5.0 !
assign (resid 52 and name HA )(resid 54 and name HN ) 0.0 0.0 5.0 !
assign (resid 52 and name HN )(resid 55 and name HN ) 0.0 0.0 5.0 !
assign (resid 52 and name HA )(resid 55 and name HN ) 0.0 0.0 3.5 !
assign (resid 52 and name HA )(resid 56 and name HN ) 0.0 0.0 3.5 !
!GLN 52, long-range NOES
!PRO 53, intra-residue NOES
assign (resid 53 and name HA )(resid 53 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 53 and name HA )(resid 53 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 53 and name HA )(resid 53 and name HD1 ) 0.0 0.0 5.0 !
assign (resid 53 and name HA )(resid 53 and name HD2 ) 0.0 0.0 5.0 !
!PRO 53, sequential NOES
assign (resid 53 and name HB1 )(resid 54 and name HN ) 0.0 0.0 3.5 !
assign (resid 53 and name HB2 )(resid 54 and name HN ) 0.0 0.0 3.5 !
assign (resid 53 and name HB* )(resid 54 and name HD* ) 0.0 3.0 8.0 !
assign (resid 53 and name HB* )(resid 54 and name HE* ) 0.0 3.0 9.0 !
!PRO 53, short-range NOES
assign (resid 53 and name HB* )(resid 55 and name HN ) 0.0 1.0 6.0 !
assign (resid 53 and name HG1 )(resid 54 and name HN ) 0.0 0.0 3.5 !
assign (resid 53 and name HG2 )(resid 54 and name HN ) 0.0 0.0 3.5 !
assign (resid 53 and name HD* )(resid 54 and name HN ) 0.0 1.0 4.5 !
!PRO 53, long-range NOES
!TYR 54, intra-residue NOES
assign (resid 54 and name HN )(resid 54 and name HA ) 0.0 0.0 3.5 !
assign (resid 54 and name HN )(resid 54 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 54 and name HN )(resid 54 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 54 and name HN )(resid 54 and name HD* ) 0.0 2.0 4.5 !
assign (resid 54 and name HN )(resid 54 and name HE* ) 0.0 2.0 7.0 !
assign (resid 54 and name HA )(resid 54 and name HB1 ) 0.0 0.0 5.0 !
assign (resid 54 and name HA )(resid 54 and name HB2 ) 0.0 0.0 5.0 !
assign (resid 54 and name HA )(resid 54 and name HD* ) 0.0 2.0 4.5 !
assign (resid 54 and name HA )(resid 54 and name HE* ) 0.0 2.0 5.5 !
!TYR 54, sequential NOES
assign (resid 54 and name HN )(resid 55 and name HN ) 0.0 0.0 3.5 !
assign (resid 54 and name HN )(resid 55 and name HA ) 0.0 0.0 5.0 !
assign (resid 54 and name HN )(resid 55 and name HB* ) 0.0 1.0 6.0 !
assign (resid 54 and name HN )(resid 55 and name HG1 ) 0.0 0.0 5.0 !
assign (resid 54 and name HN )(resid 55 and name HG2 ) 0.0 0.0 5.0 !
assign (resid 54 and name HB1 )(resid 55 and name HN ) 0.0 0.0 3.5 !
assign (resid 54 and name HB2 )(resid 55 and name HN ) 0.0 0.0 3.5 !
assign (resid 54 and name HD* )(resid 55 and name HN ) 0.0 2.0 5.5 !
!TYR 54, short-range NOES
assign (resid 54 and name HN )(resid 56 and name HN ) 0.0 0.0 5.0 !
assign (resid 54 and name HA )(resid 56 and name HN ) 0.0 0.0 5.0 !
assign (resid 54 and name HD* )(resid 56 and name HN ) 0.0 2.0 7.0 !
assign (resid 54 and name HN )(resid 57 and name HN ) 0.0 0.0 5.0 !
assign (resid 54 and name HA )(resid 57 and name HN ) 0.0 0.0 3.5 !
assign (resid 54 and name HA )(resid 58 and name HN ) 0.0 0.0 3.5 !
assign (resid 54 and name HD* )(resid 58 and name HN ) 0.0 2.0 7.0 !
!TYR 54, long-range NOES
!GLU 55, intra-residue NOES
assign (resid 55 and name HN )(resid 55 and name HA ) 0.0 0.0 2.5 !
assign (resid 55 and name HN )(resid 55 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 55 and name HN )(resid 55 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 55 and name HN )(resid 55 and name HG1 ) 0.0 0.0 2.5 !
assign (resid 55 and name HN )(resid 55 and name HG2 ) 0.0 0.0 2.5 !
assign (resid 55 and name HA )(resid 55 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 55 and name HA )(resid 55 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 55 and name HA )(resid 55 and name HG1 ) 0.0 0.0 5.0 !
assign (resid 55 and name HA )(resid 55 and name HG2 ) 0.0 0.0 5.0 !
!GLU 55, sequential NOES
assign (resid 55 and name HN )(resid 56 and name HN ) 0.0 0.0 3.5 !
assign (resid 55 and name HA )(resid 56 and name HN ) 0.0 0.0 3.5 !
assign (resid 55 and name HB1 )(resid 56 and name HN ) 0.0 0.0 3.5 !
assign (resid 55 and name HB2 )(resid 56 and name HN ) 0.0 0.0 3.5 !
assign (resid 55 and name HG1 )(resid 56 and name HN ) 0.0 0.0 5.0 !
assign (resid 55 and name HG2 )(resid 56 and name HN ) 0.0 0.0 5.0 !
!GLU 55, short-range NOES
assign (resid 55 and name HN )(resid 57 and name HN ) 0.0 0.0 5.0 !
assign (resid 55 and name HA )(resid 57 and name HN ) 0.0 0.0 3.5 !
assign (resid 55 and name HA )(resid 58 and name HN ) 0.0 0.0 3.5 !
!GLU 55, long-range NOES
!LYS 56, intra-residue NOES
assign (resid 56 and name HN )(resid 56 and name HA ) 0.0 0.0 3.5 !
assign (resid 56 and name HN )(resid 56 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 56 and name HN )(resid 56 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 56 and name HN )(resid 56 and name HG1 ) 0.0 0.0 3.5 !
assign (resid 56 and name HN )(resid 56 and name HG2 ) 0.0 0.0 3.5 !
assign (resid 56 and name HA )(resid 56 and name HB* ) 0.0 1.0 4.5 !
!LYS 56, sequential NOES
assign (resid 56 and name HN )(resid 57 and name HN ) 0.0 0.0 3.5 !
assign (resid 56 and name HA )(resid 57 and name HN ) 0.0 0.0 3.5 !
!LYS 56, short-range NOES
assign (resid 56 and name HN )(resid 58 and name HN ) 0.0 0.0 5.0 !
assign (resid 56 and name HA )(resid 58 and name HN ) 0.0 0.0 5.0 !
assign (resid 56 and name HN )(resid 59 and name HN ) 0.0 0.0 5.0 !
assign (resid 56 and name HA )(resid 59 and name HN ) 0.0 0.0 3.5 !
assign (resid 56 and name HA )(resid 60 and name HN ) 0.0 0.0 3.5 !
!LYS 56 long-range NOES
!LYS 57, intra-residue NOES
assign (resid 57 and name HN )(resid 57 and name HA ) 0.0 0.0 3.5 !
assign (resid 57 and name HN )(resid 57 and name HB* ) 0.0 1.0 3.5 !
assign (resid 57 and name HN )(resid 57 and name HG* ) 0.0 1.0 4.5 !
!LYS 57, sequential NOES
assign (resid 57 and name HN )(resid 58 and name HN ) 0.0 0.0 3.5 !
assign (resid 57 and name HA )(resid 58 and name HN ) 0.0 0.0 3.5 !
assign (resid 57 and name HB* )(resid 58 and name HN ) 0.0 1.0 4.5 !
assign (resid 57 and name HG* )(resid 58 and name HN ) 0.0 1.0 4.5 !
!LYS 57, short-range NOES
assign (resid 57 and name HN )(resid 59 and name HN ) 0.0 0.0 5.0 !
assign (resid 57 and name HA )(resid 59 and name HN ) 0.0 0.0 5.0 !
assign (resid 57 and name HN )(resid 60 and name HN ) 0.0 0.0 5.0 !
assign (resid 57 and name HA )(resid 60 and name HN ) 0.0 0.0 3.5 !
assign (resid 57 and name HN )(resid 61 and name HD* ) 0.0 2.4 7.4 !
!LYS 57 long-range NOES
!ALA 58, intra-residue NOES
assign (resid 58 and name HN )(resid 58 and name HA ) 0.0 0.0 2.5 !
assign (resid 58 and name HN )(resid 58 and name HB* ) 0.0 1.0 3.5 !
assign (resid 58 and name HA )(resid 58 and name HB* ) 0.0 1.0 3.5 !
!ALA 58, sequential NOES
assign (resid 58 and name HN )(resid 59 and name HN ) 0.0 0.0 3.5 !
assign (resid 58 and name HA )(resid 59 and name HN ) 0.0 0.0 3.5 !
!ALA 58, short-range NOES
assign (resid 58 and name HN )(resid 60 and name HN ) 0.0 0.0 5.0 !
assign (resid 58 and name HA )(resid 60 and name HN ) 0.0 0.0 5.0 !
assign (resid 58 and name HN )(resid 61 and name HD* ) 0.0 2.4 7.4 !
assign (resid 58 and name HA )(resid 62 and name HN ) 0.0 0.0 3.5 !
!ALA 58 long-range NOES
!ALA 59, intra-residue NOES
assign (resid 59 and name HN )(resid 59 and name HA ) 0.0 0.0 3.5 !
assign (resid 59 and name HN )(resid 59 and name HB* ) 0.0 0.0 2.5 !
assign (resid 59 and name HA )(resid 59 and name HB* ) 0.0 0.0 2.5 !
!ALA 59, sequential NOES
assign (resid 59 and name HN )(resid 60 and name HN ) 0.0 0.0 2.5 !
assign (resid 59 and name HN )(resid 60 and name HB1 ) 0.0 0.0 5.0 !
assign (resid 59 and name HN )(resid 60 and name HB2 ) 0.0 0.0 5.0 !
assign (resid 59 and name HA )(resid 60 and name HN ) 0.0 0.0 3.5 !
!ALA 59, short-range NOES
assign (resid 59 and name HN )(resid 61 and name HG ) 0.0 0.0 5.0 !
assign (resid 59 and name HA )(resid 61 and name HN ) 0.0 0.0 5.0 !
assign (resid 59 and name HA )(resid 62 and name HN ) 0.0 0.0 3.5 !
!ALA 59 long-range NOES
!LYS 60, intra-residue NOES
assign (resid 60 and name HN )(resid 60 and name HA ) 0.0 0.0 2.5 !
assign (resid 60 and name HN )(resid 60 and name HB1 ) 0.0 0.0 2.5 !
assign (resid 60 and name HN )(resid 60 and name HB2 ) 0.0 0.0 2.5 !
assign (resid 60 and name HA )(resid 60 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 60 and name HA )(resid 60 and name HB2 ) 0.0 0.0 3.5 !
!LYS 60, sequential NOES
assign (resid 60 and name HN )(resid 61 and name HN ) 0.0 0.0 3.5 !
assign (resid 60 and name HN )(resid 61 and name HG ) 0.0 0.0 5.0 !
assign (resid 60 and name HN )(resid 61 and name HD* ) 0.0 2.4 7.4 !
assign (resid 60 and name HB* )(resid 61 and name HN ) 0.0 1.0 4.5 !
!LYS 60, short-range NOES
assign (resid 60 and name HN )(resid 62 and name HN ) 0.0 0.0 5.0 !
assign (resid 60 and name HN )(resid 63 and name HB* ) 0.0 1.0 4.5 !
assign (resid 60 and name HN )(resid 64 and name HN ) 0.0 0.0 6.0 !
!LYS 60 long-range NOES
!LEU 61, intra-residue NOES
assign (resid 61 and name HN )(resid 61 and name HA ) 0.0 0.0 2.5 !
assign (resid 61 and name HN )(resid 61 and name HB* ) 0.0 0.0 3.5 !
assign (resid 61 and name HN )(resid 61 and name HG ) 0.0 1.0 4.5 !
assign (resid 61 and name HN )(resid 61 and name HD2* ) 0.0 1.0 4.5 !
assign (resid 61 and name HA )(resid 61 and name HD1* ) 0.0 1.0 4.5 !
assign (resid 61 and name HA )(resid 61 and name HD2* ) 0.0 1.0 4.5 !
!LEU 61, sequential NOES
assign (resid 61 and name HN )(resid 62 and name HN ) 0.0 0.0 3.5 !
assign (resid 61 and name HA )(resid 62 and name HN ) 0.0 0.0 3.5 !
assign (resid 61 and name HD1* )(resid 62 and name HN ) 0.0 1.0 6.0 !
assign (resid 61 and name HD2* )(resid 62 and name HN ) 0.0 1.0 6.0 !
!LEU 61, short-range NOES
assign (resid 61 and name HA )(resid 63 and name HN ) 0.0 0.0 5.0 !
assign (resid 61 and name HD* )(resid 63 and name HN ) 0.0 2.4 7.4 !
assign (resid 61 and name HD* )(resid 64 and name HN ) 0.0 2.4 7.4 !
!LEU 61 long-range NOES
!LYS 62, intra-residue NOES
assign (resid 62 and name HN )(resid 62 and name HA ) 0.0 0.0 2.5 !
assign (resid 62 and name HN )(resid 62 and name HB* ) 0.0 1.0 3.5 !
assign (resid 62 and name HN )(resid 62 and name HG1 ) 0.0 0.0 3.5 !
assign (resid 62 and name HN )(resid 62 and name HG2 ) 0.0 0.0 3.5 !
!LYS 62, sequential NOES
assign (resid 62 and name HN )(resid 63 and name HN ) 0.0 0.0 2.5 !
assign (resid 62 and name HN )(resid 63 and name HB* ) 0.0 1.0 6.0 !
assign (resid 62 and name HA )(resid 63 and name HN ) 0.0 0.0 3.5 !
!LYS 62, short-range NOES
assign (resid 62 and name HN )(resid 64 and name HN ) 0.0 0.0 5.0 !
assign (resid 62 and name HN )(resid 65 and name HB* ) 0.0 1.0 6.0 !
assign (resid 62 and name HA )(resid 65 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 62 and name HA )(resid 65 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 62 and name HA )(resid 66 and name HN ) 0.0 0.0 3.5 !
!LYS 62 long-range NOES
!GLU 63, intra-residue NOES
assign (resid 63 and name HN )(resid 63 and name HA ) 0.0 0.0 2.5 !
assign (resid 63 and name HN )(resid 63 and name HB1 ) 0.0 0.0 2.5 !
assign (resid 63 and name HN )(resid 63 and name HB2 ) 0.0 0.0 2.5 !
assign (resid 63 and name HN )(resid 63 and name HG* ) 0.0 1.0 4.5 !
assign (resid 63 and name HA )(resid 63 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 63 and name HA )(resid 63 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 63 and name HA )(resid 63 and name HG* ) 0.0 1.0 4.5 !
!GLU 63, sequential NOES
assign (resid 63 and name HN )(resid 64 and name HN ) 0.0 0.0 2.5 !
assign (resid 63 and name HA )(resid 64 and name HN ) 0.0 0.0 3.5 !
assign (resid 63 and name HB1 )(resid 64 and name HN ) 0.0 0.0 3.5 !
assign (resid 63 and name HB2 )(resid 64 and name HN ) 0.0 0.0 3.5 !
assign (resid 63 and name HG* )(resid 64 and name HN ) 0.0 1.0 4.5 !
!GLU 63, short-range NOES
assign (resid 63 and name HA )(resid 66 and name HN ) 0.0 0.0 3.5 !
!GLU 63 long-range NOES
!LYS 64, intra-residue NOES
assign (resid 64 and name HN )(resid 64 and name HA ) 0.0 0.0 2.5 !
assign (resid 64 and name HN )(resid 64 and name HB* ) 0.0 1.0 3.5 !
assign (resid 64 and name HN )(resid 64 and name HG* ) 0.0 1.0 4.5 !
!LYS 64, sequential NOES
assign (resid 64 and name HN )(resid 65 and name HN ) 0.0 0.0 2.5 !
assign (resid 64 and name HN )(resid 65 and name HB1 ) 0.0 0.0 5.0 !
assign (resid 64 and name HN )(resid 65 and name HB2 ) 0.0 0.0 5.0 !
assign (resid 64 and name HN )(resid 65 and name HD* ) 0.0 2.0 7.0 !
assign (resid 64 and name HB* )(resid 65 and name HN ) 0.1 0.0 3.5 !
assign (resid 64 and name HG* )(resid 65 and name HN ) 0.0 1.0 4.5 !
assign (resid 64 and name HD* )(resid 65 and name HN ) 0.0 1.0 4.5 !
!LYS 64, short-range NOES
assign (resid 64 and name HN )(resid 66 and name HN ) 0.0 0.0 5.0 !
!LYS 64 long-range NOES
!TYR 65, intra-residue NOES
assign (resid 65 and name HN )(resid 65 and name HA ) 0.0 0.0 2.5 !
assign (resid 65 and name HN )(resid 65 and name HB1 ) 0.0 0.0 2.5 !
assign (resid 65 and name HN )(resid 65 and name HB2 ) 0.0 0.0 2.5 !
assign (resid 65 and name HN )(resid 65 and name HD* ) 0.0 2.0 5.5 !
assign (resid 65 and name HN )(resid 65 and name HE* ) 0.0 2.0 7.0 !
assign (resid 65 and name HA )(resid 65 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 65 and name HA )(resid 65 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 65 and name HA )(resid 65 and name HD* ) 0.0 2.0 5.5 !
assign (resid 65 and name HA )(resid 65 and name HE* ) 0.0 2.0 7.0 !
!TYR 65, sequential NOES
assign (resid 65 and name HN )(resid 66 and name HN ) 0.0 0.0 3.5 !
assign (resid 65 and name HN )(resid 66 and name HB* ) 0.0 1.0 6.0 !
assign (resid 65 and name HN )(resid 66 and name HG1 ) 0.0 0.0 5.0 !
assign (resid 65 and name HA )(resid 66 and name HN ) 0.0 0.0 3.5 !
assign (resid 65 and name HB1 )(resid 66 and name HN ) 0.0 0.0 3.5 !
assign (resid 65 and name HB2 )(resid 66 and name HN ) 0.0 0.0 3.5 !
assign (resid 65 and name HD* )(resid 66 and name HN ) 0.0 2.0 4.5 !
assign (resid 65 and name HD* )(resid 66 and name HA ) 0.0 2.0 5.5 !
assign (resid 65 and name HD* )(resid 66 and name HB* ) 0.0 3.0 8.0 !
assign (resid 65 and name HD* )(resid 66 and name HG1 ) 0.0 2.0 5.5 !
assign (resid 65 and name HD* )(resid 66 and name HG2 ) 0.0 2.0 5.5 !
assign (resid 65 and name HE* )(resid 66 and name HN ) 0.0 2.0 7.0 !
assign (resid 65 and name HE* )(resid 66 and name HA ) 0.0 2.0 7.0 !
assign (resid 65 and name HE* )(resid 66 and name HG1 ) 0.0 2.0 7.0 !
assign (resid 65 and name HE* )(resid 66 and name HG2 ) 0.0 2.0 7.0 !
!TYR 65, short-range NOES
assign (resid 65 and name HA )(resid 67 and name HN ) 0.0 0.0 3.5 !
assign (resid 65 and name HB1 )(resid 67 and name HN ) 0.0 0.0 5.0 !
assign (resid 65 and name HB2 )(resid 67 and name HN ) 0.0 0.0 5.0 !
assign (resid 65 and name HD* )(resid 67 and name HN ) 0.0 2.0 7.0 !
assign (resid 65 and name HN )(resid 68 and name HN ) 0.0 0.0 5.0 !
assign (resid 65 and name HA )(resid 68 and name HN ) 0.0 0.0 3.5 !
assign (resid 65 and name HN )(resid 69 and name HN ) 0.0 0.0 6.0 !
assign (resid 65 and name HA )(resid 69 and name HN ) 0.0 0.0 3.5 !
assign (resid 65 and name HD* )(resid 69 and name HN ) 0.0 2.0 7.0 !
assign (resid 65 and name HD* )(resid 69 and name HB ) 0.0 2.0 5.5 !
assign (resid 65 and name HE* )(resid 69 and name HN ) 0.0 2.0 7.0 !
assign (resid 65 and name HE* )(resid 69 and name HA ) 0.0 2.0 7.0 !
assign (resid 65 and name HE* )(resid 69 and name HG1* ) 0.0 3.0 6.5 !
assign (resid 65 and name HE* )(resid 69 and name HG2* ) 0.0 3.0 5.5 !
!TYR 65 long-range NOES
!GLU 66, intra-residue NOES
assign (resid 66 and name HN )(resid 66 and name HA ) 0.0 0.0 2.5 !
assign (resid 66 and name HN )(resid 66 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 66 and name HN )(resid 66 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 66 and name HN )(resid 66 and name HG1 ) 0.0 0.0 2.5 !
assign (resid 66 and name HN )(resid 66 and name HG2 ) 0.0 0.0 2.5 !
assign (resid 66 and name HA )(resid 66 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 66 and name HA )(resid 66 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 66 and name HA )(resid 66 and name HG1 ) 0.0 0.0 3.5 !
assign (resid 66 and name HA )(resid 66 and name HG2 ) 0.0 0.0 3.5 !
!GLU 66, sequential NOES
assign (resid 66 and name HN )(resid 67 and name HN ) 0.0 0.0 3.5 !
assign (resid 66 and name HN )(resid 67 and name HB* ) 0.0 1.0 6.0 !
assign (resid 66 and name HN )(resid 67 and name HD* ) 0.0 1.0 4.5 !
assign (resid 66 and name HA )(resid 67 and name HN ) 0.0 0.0 3.5 !
assign (resid 66 and name HB1 )(resid 67 and name HN ) 0.0 0.0 3.5 !
assign (resid 66 and name HB2 )(resid 67 and name HN ) 0.0 0.0 3.5 !
assign (resid 66 and name HG1 )(resid 67 and name HN ) 0.0 0.0 5.0 !
assign (resid 66 and name HG2 )(resid 67 and name HN ) 0.0 0.0 5.0 !
!GLU 66, short-range NOES
assign (resid 66 and name HN )(resid 68 and name HN ) 0.0 0.0 5.0 !
assign (resid 66 and name HB* )(resid 68 and name HN ) 0.0 1.0 6.0 !
assign (resid 66 and name HN )(resid 69 and name HG1* ) 0.0 1.0 6.0 !
assign (resid 66 and name HN )(resid 69 and name HG2* ) 0.0 1.0 6.0 !
assign (resid 66 and name HA )(resid 69 and name HN ) 0.0 0.0 3.5 !
assign (resid 66 and name HB1 )(resid 69 and name HN ) 0.0 0.0 5.0 !
assign (resid 66 and name HB2 )(resid 69 and name HN ) 0.0 0.0 5.0 !
assign (resid 66 and name HA )(resid 70 and name HN ) 0.0 0.0 5.0 !
!GLU 66 long-range NOES
!LYS 67, intra-residue NOES
assign (resid 67 and name HN )(resid 67 and name HA ) 0.0 0.0 2.5 !
assign (resid 67 and name HN )(resid 67 and name HB* ) 0.0 1.0 3.5 !
assign (resid 67 and name HN )(resid 67 and name HG* ) 0.0 1.0 4.5 !
!LYS 67, sequential NOES
assign (resid 67 and name HN )(resid 68 and name HN ) 0.0 0.0 2.5 !
assign (resid 67 and name HN )(resid 68 and name HB1 ) 0.0 0.0 5.0 !
assign (resid 67 and name HN )(resid 68 and name HB2 ) 0.0 0.0 5.0 !
assign (resid 67 and name HA )(resid 68 and name HN ) 0.0 0.0 3.5 !
assign (resid 67 and name HB* )(resid 68 and name HN ) 0.0 1.0 3.5 !
assign (resid 67 and name HG* )(resid 68 and name HN ) 0.1 0.0 4.5 !
!LYS 67, short-range NOES
assign (resid 67 and name HN )(resid 69 and name HN ) 0.0 0.0 5.0 !
assign (resid 67 and name HN )(resid 69 and name HG2* ) 0.0 1.0 6.0 !
assign (resid 67 and name HA )(resid 69 and name HN ) 0.0 0.0 3.5 !
assign (resid 67 and name HB* )(resid 69 and name HN ) 0.0 1.0 6.0 !
assign (resid 67 and name HD* )(resid 69 and name HN ) 0.0 1.0 6.0 !
assign (resid 67 and name HN )(resid 70 and name HN ) 0.0 0.0 5.0 !
!LYS 67 long-range NOES
!ASP 68, intra-residue NOES
assign (resid 68 and name HN )(resid 68 and name HA ) 0.0 0.0 2.5 !
assign (resid 68 and name HN )(resid 68 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 68 and name HN )(resid 68 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 68 and name HA )(resid 68 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 68 and name HA )(resid 68 and name HB2 ) 0.0 0.0 3.5 !
!ASP 68, sequential NOES
assign (resid 68 and name HN )(resid 69 and name HN ) 0.0 0.0 3.5 !
assign (resid 68 and name HN )(resid 69 and name HB ) 0.0 0.0 5.0 !
assign (resid 68 and name HN )(resid 69 and name HG1* ) 0.0 1.0 6.0 !
assign (resid 68 and name HN )(resid 69 and name HG2* ) 0.0 1.0 6.0 !
assign (resid 68 and name HA )(resid 69 and name HN ) 0.0 0.0 3.5 !
assign (resid 68 and name HB1 )(resid 69 and name HN ) 0.0 0.0 3.5 !
assign (resid 68 and name HB2 )(resid 69 and name HN ) 0.0 0.0 3.5 !
!ASP 68, short-range NOES
assign (resid 68 and name HN )(resid 70 and name HN ) 0.0 0.0 5.0 !
assign (resid 68 and name HA )(resid 70 and name HN ) 0.0 0.0 5.0 !
assign (resid 68 and name HA )(resid 71 and name HN ) 0.0 0.0 3.5 !
assign (resid 68 and name HB1 )(resid 71 and name HN ) 0.0 0.0 5.0 !
assign (resid 68 and name HB2 )(resid 71 and name HN ) 0.0 0.0 5.0 !
assign (resid 68 and name HA )(resid 72 and name HN ) 0.0 0.0 5.0 !
!ASP 68 long-range NOES
!ILE 69, intra-residue NOES
assign (resid 69 and name HN )(resid 69 and name HA ) 0.0 0.0 2.5 !
assign (resid 69 and name HN )(resid 69 and name HB ) 0.0 0.0 2.5 !
assign (resid 69 and name HN )(resid 69 and name HG1* ) 0.0 1.0 4.5 !
assign (resid 69 and name HN )(resid 69 and name HG2* ) 0.0 1.0 3.5 !
assign (resid 69 and name HN )(resid 69 and name HD1* ) 0.0 1.0 4.5 !
assign (resid 69 and name HA )(resid 69 and name HB ) 0.0 0.0 2.5 !
assign (resid 69 and name HA )(resid 69 and name HG1* ) 0.0 1.0 4.5 !
assign (resid 69 and name HA )(resid 69 and name HG2* ) 0.0 1.0 3.5 !
assign (resid 69 and name HA )(resid 69 and name HD1* ) 0.0 1.0 4.5 !
!ILE 69, sequential NOES
assign (resid 69 and name HN )(resid 70 and name HN ) 0.0 0.0 3.5 !
assign (resid 69 and name HN )(resid 70 and name HA ) 0.0 0.0 5.0 !
assign (resid 69 and name HN )(resid 70 and name HB* ) 0.0 1.0 4.5 !
assign (resid 69 and name HA )(resid 70 and name HN ) 0.0 0.0 3.5 !
assign (resid 69 and name HB )(resid 70 and name HN ) 0.0 0.0 3.5 !
assign (resid 69 and name HG1* )(resid 70 and name HN ) 0.0 1.0 4.5 !
assign (resid 69 and name HG2* )(resid 70 and name HN ) 0.0 1.0 4.5 !
assign (resid 69 and name HG2* )(resid 70 and name HA ) 0.0 1.0 4.5 !
assign (resid 69 and name HD1* )(resid 70 and name HN ) 0.0 1.0 4.5 !
!ILE 69, short-range NOES
assign (resid 69 and name HN )(resid 71 and name HN ) 0.0 0.0 3.5 !
assign (resid 69 and name HA )(resid 71 and name HN ) 0.0 0.0 3.5 !
assign (resid 69 and name HG1* )(resid 71 and name HN ) 0.0 1.0 6.0 !
assign (resid 69 and name HG2* )(resid 71 and name HN ) 0.0 1.0 6.0 !
assign (resid 69 and name HN )(resid 72 and name HN ) 0.0 0.0 6.0 !
assign (resid 69 and name HN )(resid 72 and name HB* ) 0.0 1.0 6.0 !
assign (resid 69 and name HA )(resid 72 and name HN ) 0.0 0.0 3.5 !
assign (resid 69 and name HA )(resid 72 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 69 and name HA )(resid 72 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 69 and name HG1* )(resid 72 and name HB* ) 0.0 2.0 7.0 !
assign (resid 69 and name HG2* )(resid 72 and name HN ) 0.1 0.0 6.0 !
assign (resid 69 and name HD1* )(resid 72 and name HN ) 0.0 1.0 6.0 !
assign (resid 69 and name HD1* )(resid 72 and name HA ) 0.0 1.0 7.0 !
assign (resid 69 and name HD1* )(resid 72 and name HB* ) 0.0 2.0 5.5 !
assign (resid 69 and name HD1* )(resid 72 and name HE* ) 0.0 3.0 8.0 !
assign (resid 69 and name HA )(resid 73 and name HN ) 0.0 0.0 5.0 !
assign (resid 69 and name HD1* )(resid 73 and name HN ) 0.0 1.0 6.0 !
!ILE 69 long-range NOES
!ALA 70, intra-residue NOES
assign (resid 70 and name HN )(resid 70 and name HA ) 0.0 0.0 2.5 !
assign (resid 70 and name HN )(resid 70 and name HB* ) 0.0 1.0 3.5 !
assign (resid 70 and name HA )(resid 70 and name HB* ) 0.0 1.0 3.5 !
!ALA 70, sequential NOES
assign (resid 70 and name HN )(resid 71 and name HN ) 0.0 0.0 3.5 !
assign (resid 70 and name HN )(resid 71 and name HA ) 0.0 0.0 5.0 !
!ALA 70, short-range NOES
assign (resid 70 and name HN )(resid 72 and name HN ) 0.0 0.0 5.0 !
assign (resid 70 and name HA )(resid 73 and name HN ) 0.0 0.0 3.5 !
!ALA 70 long-range NOES
!ALA 71, intra-residue NOES
assign (resid 71 and name HN )(resid 71 and name HA ) 0.0 0.0 2.5 !
assign (resid 71 and name HN )(resid 71 and name HB* ) 0.0 1.0 3.5 !
assign (resid 71 and name HA )(resid 71 and name HB* ) 0.0 1.0 3.5 !
!ALA 71, sequential NOES
assign (resid 71 and name HN )(resid 72 and name HN ) 0.0 0.0 3.5 !
assign (resid 71 and name HN )(resid 72 and name HB* ) 0.0 1.0 6.0 !
assign (resid 71 and name HN )(resid 72 and name HD* ) 0.0 2.0 7.0 !
assign (resid 71 and name HB* )(resid 72 and name HN ) 0.0 1.0 4.5 !
!ALA 71, short-range NOES
!ALA 71 long-range NOES
!TYR 72, intra-residue NOES
assign (resid 72 and name HN )(resid 72 and name HA ) 0.0 0.0 3.5 !
assign (resid 72 and name HN )(resid 72 and name HB* ) 0.0 1.0 3.5 !
assign (resid 72 and name HN )(resid 72 and name HD* ) 0.0 2.0 5.5 !
assign (resid 72 and name HN )(resid 72 and name HE* ) 0.0 2.0 7.0 !
assign (resid 72 and name HA )(resid 72 and name HB* ) 0.0 1.0 4.5 !
assign (resid 72 and name HA )(resid 72 and name HD* ) 0.0 2.0 4.5 !
assign (resid 72 and name HA )(resid 72 and name HE* ) 0.0 2.0 7.0 !
assign (resid 72 and name HB* )(resid 72 and name HE* ) 0.0 3.0 6.5 !
!TYR 72, sequential NOES
assign (resid 72 and name HN )(resid 73 and name HN ) 0.0 0.0 2.5 !
assign (resid 72 and name HA )(resid 73 and name HN ) 0.0 0.0 3.5 !
assign (resid 72 and name HB* )(resid 73 and name HN ) 0.0 1.0 3.5 !
assign (resid 72 and name HD* )(resid 73 and name HN ) 0.0 2.0 5.5 !
assign (resid 72 and name HE* )(resid 73 and name HN ) 0.0 2.0 7.0 !
!TYR 72, short-range NOES
assign (resid 72 and name HN )(resid 74 and name HN ) 0.0 0.0 3.5 !
assign (resid 72 and name HB* )(resid 74 and name HN ) 0.0 1.0 6.0 !
assign (resid 72 and name HD* )(resid 74 and name HN ) 0.0 2.0 7.0 !
assign (resid 72 and name HB* )(resid 75 and name HN ) 0.0 1.0 6.0 !
!TYR 72 long-range NOES
!ARG 73, intra-residue NOES
assign (resid 73 and name HN )(resid 73 and name HB* ) 0.0 1.0 3.5 !
assign (resid 73 and name HN )(resid 73 and name HG1 ) 0.0 0.0 5.0 !
assign (resid 73 and name HN )(resid 73 and name HG2 ) 0.0 0.0 5.0 !
assign (resid 73 and name HA )(resid 73 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 73 and name HA )(resid 73 and name HB2 ) 0.0 0.0 3.5 !
!ARG 73, sequential NOES
assign (resid 73 and name HN )(resid 74 and name HN ) 0.0 0.0 2.5 !
assign (resid 73 and name HN )(resid 74 and name HB* ) 0.0 1.0 4.5 !
assign (resid 73 and name HB* )(resid 74 and name HN ) 0.0 1.0 3.5 !
assign (resid 73 and name HG* )(resid 74 and name HN ) 0.0 1.0 4.5 !
!ARG 73, short-range NOES
assign (resid 73 and name HA )(resid 75 and name HN ) 0.0 0.0 3.5 !
!ARG 73 long-range NOES
!ALA 74, intra-residue NOES
assign (resid 74 and name HN )(resid 74 and name HA ) 0.0 0.0 2.5 !
assign (resid 74 and name HN )(resid 74 and name HB* ) 0.0 1.0 3.5 !
assign (resid 74 and name HA )(resid 74 and name HB* ) 0.0 1.0 3.5 !
!ALA 74, sequential NOES
!ALA 74, short-range NOES
!ALA 74 long-range NOES
!LYS 75, intra-residue NOES
assign (resid 75 and name HN )(resid 75 and name HA ) 0.0 0.0 2.5 !
assign (resid 75 and name HN )(resid 75 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 75 and name HN )(resid 75 and name HB2 ) 0.0 0.0 3.5 !
!LYS 75, sequential NOES
assign (resid 75 and name HB1 )(resid 76 and name HN ) 0.0 0.0 3.5 !
assign (resid 75 and name HB2 )(resid 76 and name HN ) 0.0 0.0 3.5 !
!LYS 75, short-range NOES
assign (resid 75 and name HN )(resid 77 and name HN ) 0.0 0.0 5.0 !
assign (resid 75 and name HG* )(resid 79 and name HN ) 0.0 1.0 6.0 !
!LYS 75 long-range NOES
!GLY 76, intra-residue NOES
assign (resid 76 and name HN )(resid 76 and name HA1 ) 0.0 0.0 2.5 !
assign (resid 76 and name HN )(resid 76 and name HA2 ) 0.0 0.0 2.5 !
!GLY 76, sequential NOES
assign (resid 76 and name HA1 )(resid 77 and name HN ) 0.0 0.0 3.5 !
assign (resid 76 and name HA2 )(resid 77 and name HN ) 0.0 0.0 3.5 !
!GLY 76, short-range NOES
!GLY 76, long-range NOES
!LYS 77, intra-residue NOES
assign (resid 77 and name HN )(resid 77 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 77 and name HN )(resid 77 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 77 and name HN )(resid 77 and name HG* ) 0.0 1.0 6.0 !
assign (resid 77 and name HA )(resid 77 and name HB1 ) 0.0 0.0 5.0 !
assign (resid 77 and name HA )(resid 77 and name HB2 ) 0.0 0.0 5.0 !
!LYS 77, sequential NOES
assign (resid 77 and name HN )(resid 78 and name HD1 ) 0.0 0.0 5.0 !
assign (resid 77 and name HN )(resid 78 and name HD2 ) 0.0 0.0 5.0 !
!LYS 77, short-range NOES
assign (resid 77 and name HB1 )(resid 79 and name HN ) 0.0 0.0 5.0 !
assign (resid 77 and name HB2 )(resid 79 and name HN ) 0.0 0.0 5.0 !
assign (resid 77 and name HG* )(resid 79 and name HN ) 0.0 1.0 6.0 !
!PRO 78, intra-residue NOES
assign (resid 78 and name HA )(resid 78 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 78 and name HA )(resid 78 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 78 and name HA )(resid 78 and name HG* ) 0.0 1.0 6.0 !
assign (resid 78 and name HD1 )(resid 78 and name HG* ) 0.0 1.0 4.5 !
assign (resid 78 and name HD2 )(resid 78 and name HG* ) 0.0 1.0 4.5 !
!PRO 78, sequential NOES
assign (resid 78 and name HA )(resid 79 and name HN ) 0.0 0.0 3.5 !
assign (resid 78 and name HB1 )(resid 79 and name HN ) 0.0 0.0 3.5 !
assign (resid 78 and name HB2 )(resid 79 and name HN ) 0.0 0.0 3.5 !
assign (resid 78 and name HD* )(resid 79 and name HN ) 0.0 1.0 6.0 !
!PRO 78, short-range NOES
!ASP 79, intra-residue NOES
assign (resid 79 and name HN )(resid 79 and name HA ) 0.0 0.0 2.5 !
assign (resid 79 and name HN )(resid 79 and name HB1 ) 0.0 0.0 3.5 !
assign (resid 79 and name HN )(resid 79 and name HB2 ) 0.0 0.0 3.5 !
assign (resid 79 and name HA )(resid 79 and name HB1 ) 0.0 0.0 5.0 !
assign (resid 79 and name HA )(resid 79 and name HB2 ) 0.0 0.0 5.0 !
!ASP 79, sequential NOES
assign (resid 79 and name HN )(resid 80 and name HN ) 0.0 0.0 3.5 !
assign (resid 79 and name HA )(resid 80 and name HN ) 0.0 0.0 2.5 !
assign (resid 79 and name HB* )(resid 80 and name HN ) 0.0 1.0 4.5 !
!ASP 79, short-range NOES
assign (resid 79 and name HA )(resid 81 and name HN ) 0.0 0.0 5.0 !
!ALA 80, intra-residue NOES
assign (resid 80 and name HN )(resid 80 and name HA ) 0.0 0.0 3.5 !
assign (resid 80 and name HN )(resid 80 and name HB* ) 0.0 1.0 4.5 !
assign (resid 80 and name HA )(resid 80 and name HB* ) 0.0 1.0 6.0 !
!ALA 80, sequential NOES
assign (resid 80 and name HA )(resid 81 and name HN ) 0.0 0.0 2.5 !
!ALA 81, intra-residue NOES
assign (resid 81 and name HN )(resid 81 and name HA ) 0.0 0.0 2.5 !
assign (resid 81 and name HN )(resid 81 and name HB* ) 0.0 1.0 6.0 !
assign (resid 81 and name HA )(resid 81 and name HB* ) 0.0 1.0 6.0 !
REMARK
REMARK
REMARK B. DIHEDRAL ANGLE RESTRAINTS
REMARK
!!PHI ANGLE RESTRAINTS HELIX 1
!ALA 11
assign ( resid 11 and name C )
( resid 12 and name N )
( resid 12 and name CA )
( resid 12 and name C ) 1.0 -90 80 2
!PHE 12
assign ( resid 12 and name C )
( resid 13 and name N )
( resid 13 and name CA )
( resid 13 and name C ) 1.0 -90 80 2
!PHE 13
assign ( resid 13 and name C )
( resid 14 and name N )
( resid 14 and name CA )
( resid 14 and name C ) 1.0 -90 80 2
!LEU 14
assign ( resid 14 and name C )
( resid 15 and name N )
( resid 15 and name CA )
( resid 15 and name C ) 1.0 -90 80 2
!PHE 15
assign ( resid 15 and name C )
( resid 16 and name N )
( resid 16 and name CA )
( resid 16 and name C ) 1.0 -90 80 2
!CYS 16
assign ( resid 16 and name C )
( resid 17 and name N )
( resid 17 and name CA )
( resid 17 and name C ) 1.0 -90 80 2
!SER 17
assign ( resid 17 and name C )
( resid 18 and name N )
( resid 18 and name CA )
( resid 18 and name C ) 1.0 -90 80 2
!!PHI ANGLE RESTRAINTS HELIX 2
!ILE 32
assign ( resid 32 and name C )
( resid 33 and name N )
( resid 33 and name CA )
( resid 33 and name C ) 1.0 -90 80 2
!GLY 33
assign ( resid 33 and name C )
( resid 34 and name N )
( resid 34 and name CA )
( resid 34 and name C ) 1.0 -90 80 2
!ASP 34
assign ( resid 34 and name C )
( resid 35 and name N )
( resid 35 and name CA )
( resid 35 and name C ) 1.0 -90 80 2
!VAL 35
assign ( resid 35 and name C )
( resid 36 and name N )
( resid 36 and name CA )
( resid 36 and name C ) 1.0 -90 80 2
!ALA 36
assign ( resid 36 and name C )
( resid 37 and name N )
( resid 37 and name CA )
( resid 37 and name C ) 1.0 -90 80 2
!LYS 37
assign ( resid 37 and name C )
( resid 38 and name N )
( resid 38 and name CA )
( resid 38 and name C ) 1.0 -90 80 2
!LYS 37
assign ( resid 38 and name C )
( resid 39 and name N )
( resid 39 and name CA )
( resid 39 and name C ) 1.0 -90 80 2
!LEU 39
assign ( resid 39 and name C )
( resid 40 and name N )
( resid 40 and name CA )
( resid 40 and name C ) 1.0 -90 80 2
!GLY 40
assign ( resid 40 and name C )
( resid 41 and name N )
( resid 41 and name CA )
( resid 41 and name C ) 1.0 -90 80 2
!GLU 41
assign ( resid 41 and name C )
( resid 42 and name N )
( resid 42 and name CA )
( resid 42 and name C ) 1.0 -90 80 2
!MET 42
assign ( resid 42 and name C )
( resid 43 and name N )
( resid 43 and name CA )
( resid 43 and name C ) 1.0 -90 80 2
!!PHI ANGLE RESTRAINTS HELIX 3
!TRP 43
assign ( resid 43 and name C )
( resid 44 and name N )
( resid 44 and name CA )
( resid 44 and name C ) 1.0 -90 80 2
!TYR 54
assign ( resid 54 and name C )
( resid 55 and name N )
( resid 55 and name CA )
( resid 55 and name C ) 1.0 -90 80 2
!GLU 55
assign ( resid 55 and name C )
( resid 56 and name N )
( resid 56 and name CA )
( resid 56 and name C ) 1.0 -90 80 2
!LYS 56
assign ( resid 56 and name C )
( resid 57 and name N )
( resid 57 and name CA )
( resid 57 and name C ) 1.0 -90 80 2
!LYS 57
assign ( resid 57 and name C )
( resid 58 and name N )
( resid 58 and name CA )
( resid 58 and name C ) 1.0 -90 80 2
!ALA 58
assign ( resid 58 and name C )
( resid 59 and name N )
( resid 59 and name CA )
( resid 59 and name C ) 1.0 -90 80 2
!ALA 59
assign ( resid 59 and name C )
( resid 60 and name N )
( resid 60 and name CA )
( resid 60 and name C ) 1.0 -90 80 2
!LYS 60
assign ( resid 60 and name C )
( resid 61 and name N )
( resid 61 and name CA )
( resid 61 and name C ) 1.0 -90 80 2
!LEU 61
assign ( resid 61 and name C )
( resid 62 and name N )
( resid 62 and name CA )
( resid 62 and name C ) 1.0 -90 80 2
!LYS 62
assign ( resid 62 and name C )
( resid 63 and name N )
( resid 63 and name CA )
( resid 63 and name C ) 1.0 -90 80 2
!GLU 63
assign ( resid 63 and name C )
( resid 64 and name N )
( resid 64 and name CA )
( resid 64 and name C ) 1.0 -90 80 2
!LYS 64
assign ( resid 64 and name C )
( resid 65 and name N )
( resid 65 and name CA )
( resid 65 and name C ) 1.0 -90 80 2
!TYR 65
assign ( resid 65 and name C )
( resid 66 and name N )
( resid 66 and name CA )
( resid 66 and name C ) 1.0 -90 80 2
!GLU 66
assign ( resid 66 and name C )
( resid 67 and name N )
( resid 67 and name CA )
( resid 67 and name C ) 1.0 -90 80 2
!LYS 67
assign ( resid 67 and name C )
( resid 68 and name N )
( resid 68 and name CA )
( resid 68 and name C ) 1.0 -90 80 2
!ASP 68
assign ( resid 68 and name C )
( resid 69 and name N )
( resid 69 and name CA )
( resid 69 and name C ) 1.0 -90 80 2
!ILE 69
assign ( resid 69 and name C )
( resid 70 and name N )
( resid 70 and name CA )
( resid 70 and name C ) 1.0 -90 80 2
!ALA 70
assign ( resid 70 and name C )
( resid 71 and name N )
( resid 71 and name CA )
( resid 71 and name C ) 1.0 -90 80 2
!ALA 71
assign ( resid 71 and name C )
( resid 72 and name N )
( resid 72 and name CA )
( resid 72 and name C ) 1.0 -90 80 2
!TYR 72
assign ( resid 72 and name C )
( resid 73 and name N )
( resid 73 and name CA )
( resid 73 and name C ) 1.0 -90 80 2
!ARG 73
assign ( resid 73 and name C )
( resid 74 and name N )
( resid 74 and name CA )
( resid 74 and name C ) 1.0 -90 80 2
!!PSI ANGLE RESTRAINTS HELIX 1
!PHE 12
assign ( resid 12 and name N )
( resid 12 and name CA )
( resid 12 and name C )
( resid 13 and name N ) 1.0 -40 45 2
!PHE 13
assign ( resid 13 and name N )
( resid 13 and name CA )
( resid 13 and name C )
( resid 14 and name N ) 1.0 -40 45 2
!LEU 14
assign ( resid 14 and name N )
( resid 14 and name CA )
( resid 14 and name C )
( resid 15 and name N ) 1.0 -40 45 2
!PHE 15
assign ( resid 15 and name N )
( resid 15 and name CA )
( resid 15 and name C )
( resid 16 and name N ) 1.0 -40 45 2
!CYS 16
assign ( resid 16 and name N )
( resid 16 and name CA )
( resid 16 and name C )
( resid 17 and name N ) 1.0 -40 45 2
!SER 17
assign ( resid 17 and name N )
( resid 17 and name CA )
( resid 18 and name C )
( resid 17 and name N ) 1.0 -40 45 2
!!PSI ANGLE RESTRAINTS HELIX 2
!GLY 33
assign ( resid 33 and name N )
( resid 33 and name CA )
( resid 33 and name C )
( resid 34 and name N ) 1.0 -40 45 2
!ASP 34
assign ( resid 34 and name N )
( resid 34 and name CA )
( resid 34 and name C )
( resid 35 and name N ) 1.0 -40 45 2
!VAL 35
assign ( resid 35 and name N )
( resid 35 and name CA )
( resid 35 and name C )
( resid 36 and name N ) 1.0 -40 45 2
!ALA 36
assign ( resid 36 and name N )
( resid 36 and name CA )
( resid 36 and name C )
( resid 37 and name N ) 1.0 -40 45 2
!LYS 37
assign ( resid 37 and name N )
( resid 37 and name CA )
( resid 37 and name C )
( resid 38 and name N ) 1.0 -40 45 2
!LYS 38
assign ( resid 38 and name N )
( resid 38 and name CA )
( resid 38 and name C )
( resid 39 and name N ) 1.0 -40 45 2
!LEU 39
assign ( resid 39 and name N )
( resid 39 and name CA )
( resid 39 and name C )
( resid 40 and name N ) 1.0 -40 45 2
!GLY 40
assign ( resid 40 and name N )
( resid 40 and name CA )
( resid 40 and name C )
( resid 41 and name N ) 1.0 -40 45 2
!GLU 41
assign ( resid 41 and name N )
( resid 41 and name CA )
( resid 41 and name C )
( resid 42 and name N ) 1.0 -40 45 2
!MET 42
assign ( resid 42 and name N )
( resid 42 and name CA )
( resid 42 and name C )
( resid 43 and name N ) 1.0 -40 45 2
!TRP 43
assign ( resid 43 and name N )
( resid 43 and name CA )
( resid 43 and name C )
( resid 44 and name N ) 1.0 -40 45 2
!!PSI ANGLE RESTRAINTS HELIX 3
!TYR 54
assign ( resid 54 and name N )
( resid 54 and name CA )
( resid 54 and name C )
( resid 55 and name N ) 1.0 -40 45 2
!GLU 55
assign ( resid 55 and name N )
( resid 55 and name CA )
( resid 55 and name C )
( resid 56 and name N ) 1.0 -40 45 2
!LYS 56
assign ( resid 56 and name N )
( resid 56 and name CA )
( resid 56 and name C )
( resid 57 and name N ) 1.0 -40 45 2
!LYS 57
assign ( resid 57 and name N )
( resid 57 and name CA )
( resid 57 and name C )
( resid 58 and name N ) 1.0 -40 45 2
!ALA 58
assign ( resid 58 and name N )
( resid 58 and name CA )
( resid 58 and name C )
( resid 59 and name N ) 1.0 -40 45 2
!ALA 59
assign ( resid 59 and name N )
( resid 59 and name CA )
( resid 59 and name C )
( resid 60 and name N ) 1.0 -40 45 2
!LYS 60
assign ( resid 60 and name N )
( resid 60 and name CA )
( resid 60 and name C )
( resid 61 and name N ) 1.0 -40 45 2
!LEU 61
assign ( resid 61 and name N )
( resid 61 and name CA )
( resid 61 and name C )
( resid 62 and name N ) 1.0 -40 45 2
!LYS 62
assign ( resid 62 and name N )
( resid 62 and name CA )
( resid 62 and name C )
( resid 63 and name N ) 1.0 -40 45 2
!GLU 63
assign ( resid 63 and name N )
( resid 63 and name CA )
( resid 63 and name C )
( resid 64 and name N ) 1.0 -40 45 2
!LYS 64
assign ( resid 64 and name N )
( resid 64 and name CA )
( resid 64 and name C )
( resid 65 and name N ) 1.0 -40 45 2
!TYR 65
assign ( resid 65 and name N )
( resid 65 and name CA )
( resid 65 and name C )
( resid 66 and name N ) 1.0 -40 45 2
!GLU 66
assign ( resid 66 and name N )
( resid 66 and name CA )
( resid 66 and name C )
( resid 67 and name N ) 1.0 -40 45 2
!LYS 67
assign ( resid 67 and name N )
( resid 67 and name CA )
( resid 67 and name C )
( resid 68 and name N ) 1.0 -40 45 2
!ASP 68
assign ( resid 68 and name N )
( resid 68 and name CA )
( resid 68 and name C )
( resid 69 and name N ) 1.0 -40 45 2
!ILE 69
assign ( resid 69 and name N )
( resid 69 and name CA )
( resid 69 and name C )
( resid 70 and name N ) 1.0 -40 45 2
!ALA 70
assign ( resid 70 and name N )
( resid 70 and name CA )
( resid 70 and name C )
( resid 71 and name N ) 1.0 -40 45 2
!ALA 71
assign ( resid 71 and name N )
( resid 71 and name CA )
( resid 71 and name C )
( resid 72 and name N ) 1.0 -40 45 2
!TYR 72
assign ( resid 72 and name N )
( resid 72 and name CA )
( resid 72 and name C )
( resid 73 and name N ) 1.0 -40 45 2
!ARG 73
assign ( resid 73 and name N )
( resid 73 and name CA )
( resid 73 and name C )
( resid 74 and name N ) 1.0 -40 45 2
REMARK
REMARK
REMARK C. H-BOND RESTRAINTS
REMARK
!!!H-BOND RESTRAINTS HELIX 1
!PHE 12
assign (resid 12 and name O )(resid 16 and name HN ) 2.30 0.8 0.20
assign (resid 12 and name O )(resid 16 and name N ) 3.30 0.8 0.20
!PHE 13
assign (resid 13 and name O )(resid 17 and name HN ) 2.30 0.8 0.20
assign (resid 13 and name O )(resid 17 and name N ) 3.30 0.8 0.20
!LEU 14
assign (resid 14 and name O )(resid 18 and name HN ) 2.30 0.8 0.20
assign (resid 14 and name O )(resid 18 and name N ) 3.30 0.8 0.20
!PHE 15
assign (resid 15 and name O )(resid 19 and name HN ) 2.30 0.8 0.20
assign (resid 15 and name O )(resid 19 and name N ) 3.30 0.8 0.20
!!!H-BOND RESTRAINTS HELIX 1'
!ARG 20
assign (resid 20 and name O )(resid 24 and name HN ) 2.30 0.8 0.20
assign (resid 20 and name O )(resid 24 and name N ) 3.30 0.8 0.20
!PRO 21
assign (resid 21 and name O )(resid 25 and name HN ) 2.30 0.8 0.20
assign (resid 21 and name O )(resid 25 and name N ) 3.30 0.8 0.20
!LYS 22
assign (resid 22 and name O )(resid 26 and name HN ) 2.30 0.8 0.20
assign (resid 22 and name O )(resid 26 and name N ) 3.30 0.8 0.20
!ILE 23
assign (resid 23 and name O )(resid 27 and name HN ) 2.30 0.8 0.20
assign (resid 23 and name O )(resid 27 and name N ) 3.30 0.8 0.20
!!!H-BOND RESTRAINTS HELIX 2
!GLY 33
assign (resid 33 and name O )(resid 37 and name HN ) 2.30 0.8 0.20
assign (resid 33 and name O )(resid 37 and name N ) 3.30 0.8 0.20
!ASP 34
assign (resid 34 and name O )(resid 38 and name HN ) 2.30 0.8 0.20
assign (resid 34 and name O )(resid 38 and name N ) 3.30 0.8 0.20
!VAL 35
assign (resid 35 and name O )(resid 39 and name HN ) 2.30 0.8 0.20
assign (resid 35 and name O )(resid 39 and name N ) 3.30 0.8 0.20
!ALA 36
assign (resid 36 and name O )(resid 40 and name HN ) 2.30 0.8 0.20
assign (resid 36 and name O )(resid 40 and name N ) 3.30 0.8 0.20
!LYS 37
assign (resid 37 and name O )(resid 41 and name HN ) 2.30 0.8 0.20
assign (resid 37 and name O )(resid 41 and name N ) 3.30 0.8 0.20
!LYS 38
assign (resid 38 and name O )(resid 42 and name HN ) 2.30 0.8 0.20
assign (resid 38 and name O )(resid 42 and name N ) 3.30 0.8 0.20
!LEU 39
assign (resid 39 and name O )(resid 43 and name HN ) 2.30 0.8 0.20
assign (resid 39 and name O )(resid 43 and name N ) 3.30 0.8 0.20
!!!H-BOND RESTRAINTS HELIX 3
!TYR 54
assign (resid 54 and name O )(resid 58 and name HN ) 2.30 0.8 0.20
assign (resid 54 and name O )(resid 58 and name N ) 3.30 0.8 0.20
!GLU 55
assign (resid 55 and name O )(resid 59 and name HN ) 2.30 0.8 0.20
assign (resid 55 and name O )(resid 59 and name N ) 3.30 0.8 0.20
!LYS 56
assign (resid 56 and name O )(resid 60 and name HN ) 2.30 0.8 0.20
assign (resid 56 and name O )(resid 60 and name N ) 3.30 0.8 0.20
!LYS 57
assign (resid 57 and name O )(resid 61 and name HN ) 2.30 0.8 0.20
assign (resid 57 and name O )(resid 61 and name N ) 3.30 0.8 0.20
!ALA 58
assign (resid 58 and name O )(resid 62 and name HN ) 2.30 0.8 0.20
assign (resid 58 and name O )(resid 62 and name N ) 3.30 0.8 0.20
!ALA 59
assign (resid 59 and name O )(resid 63 and name HN ) 2.30 0.8 0.20
assign (resid 59 and name O )(resid 63 and name N ) 3.30 0.8 0.20
!LYS 60
assign (resid 60 and name O )(resid 64 and name HN ) 2.30 0.8 0.20
assign (resid 60 and name O )(resid 64 and name N ) 3.30 0.8 0.20
!LEU 61
assign (resid 61 and name O )(resid 65 and name HN ) 2.30 0.8 0.20
assign (resid 61 and name O )(resid 65 and name N ) 3.30 0.8 0.20
!LYS 62
assign (resid 62 and name O )(resid 66 and name HN ) 2.30 0.8 0.20
assign (resid 62 and name O )(resid 66 and name N ) 3.30 0.8 0.20
!GLU 63
assign (resid 63 and name O )(resid 67 and name HN ) 2.30 0.8 0.20
assign (resid 63 and name O )(resid 67 and name N ) 3.30 0.8 0.20
!LYS 64
assign (resid 64 and name O )(resid 68 and name HN ) 2.30 0.8 0.20
assign (resid 64 and name O )(resid 68 and name N ) 3.30 0.8 0.20
!TYR 65
assign (resid 65 and name O )(resid 69 and name HN ) 2.30 0.8 0.20
assign (resid 65 and name O )(resid 69 and name N ) 3.30 0.8 0.20
!GLU 66
assign (resid 66 and name O )(resid 70 and name HN ) 2.30 0.8 0.20
assign (resid 66 and name O )(resid 70 and name N ) 3.30 0.8 0.20
!LYS 67
assign (resid 67 and name O )(resid 71 and name HN ) 2.30 0.8 0.20
assign (resid 67 and name O )(resid 71 and name N ) 3.30 0.8 0.20
!ASP 68
assign (resid 68 and name O )(resid 72 and name HN ) 2.30 0.8 0.20
assign (resid 68 and name O )(resid 72 and name N ) 3.30 0.8 0.20
!ILE 69
assign (resid 69 and name O )(resid 73 and name HN ) 2.30 0.8 0.20
assign (resid 69 and name O )(resid 73 and name N ) 3.30 0.8 0.20
!ALA 70
assign (resid 70 and name O )(resid 74 and name HN ) 2.30 0.8 0.20
assign (resid 70 and name O )(resid 74 and name N ) 3.30 0.8 0.20
Contact the webmaster for help, if required. Tuesday, July 2, 2024 9:48:22 PM GMT (wattos1)