NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type | subtype | subsubtype |
|
|
2186 |
1bip   |
cing | recoord | 1-original | 5 | XPLOR/CNS | distance | NOE | simple |
!***************Medium range NOEs***************************************
! ========== NH (i) - NH (i+2) ==========================
assign (resid 12 and name HN ) (resid 10 and name HN ) 2.8 0.3 0.3
assign (resid 19 and name HN ) (resid 17 and name HN ) 4.2 0.6 0.8
assign (resid 20 and name HN ) (resid 18 and name HN ) 4.2 0.6 0.8
assign (resid 21 and name HN ) (resid 19 and name HN ) 4.2 0.6 0.8
assign (resid 27 and name HN ) (resid 25 and name HN ) 4.2 0.6 0.8
assign (resid 39 and name HN ) (resid 37 and name HN ) 4.2 0.6 0.8
assign (resid 40 and name HN ) (resid 38 and name HN ) 4.2 0.6 0.8
assign (resid 41 and name HN ) (resid 39 and name HN ) 4.2 0.6 0.8
assign (resid 42 and name HN ) (resid 40 and name HN ) 4.2 0.6 0.8
assign (resid 45 and name HN ) (resid 43 and name HN ) 4.2 0.6 0.8
assign (resid 46 and name HN ) (resid 44 and name HN ) 4.2 0.6 0.8
assign (resid 47 and name HN ) (resid 45 and name HN ) 4.2 0.6 0.8
assign (resid 48 and name HN ) (resid 46 and name HN ) 4.2 0.6 0.8
assign (resid 49 and name HN ) (resid 47 and name HN ) 4.2 0.6 0.8
assign (resid 50 and name HN ) (resid 48 and name HN ) 4.2 0.6 0.8
assign (resid 51 and name HN ) (resid 49 and name HN ) 4.2 0.6 0.8
assign (resid 64 and name HN ) (resid 62 and name HN ) 4.2 0.6 0.8
assign (resid 65 and name HN ) (resid 63 and name HN ) 4.2 0.6 0.8
assign (resid 66 and name HN ) (resid 64 and name HN ) 4.2 0.6 0.8
assign (resid 72 and name HN ) (resid 70 and name HN ) 4.2 0.6 0.8
assign (resid 73 and name HN ) (resid 71 and name HN ) 3.5 0.3 0.3
assign (resid 79 and name HN ) (resid 77 and name HN ) 4.2 0.6 0.8
assign (resid 90 and name HN ) (resid 88 and name HN ) 4.2 0.6 0.8
assign (resid 91 and name HN ) (resid 89 and name HN ) 4.2 0.6 0.8
assign (resid 92 and name HN ) (resid 90 and name HN ) 4.2 0.6 0.8
assign (resid 104 and name HN ) (resid 102 and name HN ) 3.4 0.3 0.3
! ========== Ha (i) - NH (i+2) ==========================
assign (resid 18 and name HN ) (resid 16 and name HA ) 3.5 0.3 0.3
assign (resid 21 and name HN ) (resid 19 and name HA ) 4.2 0.6 0.8
assign (resid 28 and name HN ) (resid 26 and name HA ) 4.2 0.6 0.8
assign (resid 38 and name HN ) (resid 36 and name HA ) 4.2 0.6 0.8
assign (resid 39 and name HN ) (resid 37 and name HA ) 4.2 0.6 0.8
assign (resid 41 and name HN ) (resid 39 and name HA ) 4.2 0.6 0.8
assign (resid 49 and name HN ) (resid 47 and name HA ) 4.2 0.6 0.8
assign (resid 51 and name HN ) (resid 49 and name HA ) 4.2 0.6 0.8
assign (resid 63 and name HN ) (resid 61 and name HA ) 4.2 0.6 0.8
assign (resid 65 and name HN ) (resid 63 and name HA ) 4.2 0.6 0.8
assign (resid 79 and name HN ) (resid 77 and name HA ) 3.8 0.3 0.3
assign (resid 85 and name HN ) (resid 83 and name HA ) 3.5 0.3 0.3
assign (resid 88 and name HN ) (resid 86 and name HA ) 4.2 0.6 0.8
assign (resid 90 and name HN ) (resid 88 and name HA ) 4.2 0.6 0.8
assign (resid 91 and name HN ) (resid 89 and name HA ) 4.2 0.6 0.8
assign (resid 93 and name HN ) (resid 91 and name HA ) 4.2 0.6 0.8
assign (resid 94 and name HN ) (resid 92 and name HA ) 4.2 0.6 0.8
assign (resid 101 and name HN ) (resid 99 and name HA ) 4.2 0.6 0.8
assign (resid 102 and name HN ) (resid 100 and name HA ) 4.2 0.6 0.8
assign (resid 122 and name HN ) (resid 120 and name HA ) 2.8 0.3 0.3
! ==================================================
! ========== Ha (i) - NH (i+3) ==========================
assign (resid 20 and name HN ) (resid 17 and name HA ) 3.4 0.3 0.3
assign (resid 21 and name HN ) (resid 18 and name HA ) 3.4 0.3 0.3
assign (resid 23 and name HN ) (resid 20 and name HA ) 3.4 0.3 0.3
assign (resid 24 and name HN ) (resid 21 and name HA ) 3.7 0.3 0.3
assign (resid 25 and name HN ) (resid 22 and name HA ) 3.4 0.3 0.3
assign (resid 26 and name HN ) (resid 23 and name HA ) 3.4 0.3 0.3
assign (resid 27 and name HN ) (resid 24 and name HA ) 3.4 0.3 0.3
assign (resid 28 and name HN ) (resid 25 and name HA ) 3.8 0.3 0.3
assign (resid 29 and name HN ) (resid 26 and name HA ) 3.8 0.3 0.3
assign (resid 40 and name HN ) (resid 37 and name HA ) 3.4 0.3 0.3
assign (resid 41 and name HN ) (resid 38 and name HA ) 3.4 0.3 0.3
assign (resid 42 and name HN ) (resid 39 and name HA ) 3.4 0.3 0.3
assign (resid 43 and name HN ) (resid 40 and name HA ) 3.4 0.3 0.3
assign (resid 44 and name HN ) (resid 41 and name HA ) 3.4 0.3 0.3
assign (resid 45 and name HN ) (resid 42 and name HA ) 3.4 0.3 0.3
assign (resid 47 and name HN ) (resid 44 and name HA ) 3.4 0.3 0.3
assign (resid 48 and name HN ) (resid 45 and name HA ) 3.4 0.3 0.3
assign (resid 49 and name HN ) (resid 46 and name HA ) 3.4 0.3 0.3
assign (resid 51 and name HN ) (resid 48 and name HA ) 3.4 0.3 0.3
assign (resid 56 and name HN ) (resid 53 and name HA ) 4.1 0.6 0.8
assign (resid 58 and name HN ) (resid 55 and name HA ) 4.2 0.6 0.8
assign (resid 59 and name HN ) (resid 56 and name HA ) 4.2 0.6 0.8
assign (resid 60 and name HN ) (resid 57 and name HA ) 3.4 0.3 0.3
assign (resid 61 and name HN ) (resid 58 and name HA ) 3.4 0.3 0.3
assign (resid 62 and name HN ) (resid 59 and name HA ) 3.4 0.3 0.3
assign (resid 63 and name HN ) (resid 60 and name HA ) 3.4 0.3 0.3
assign (resid 65 and name HN ) (resid 62 and name HA ) 3.4 0.3 0.3
assign (resid 66 and name HN ) (resid 63 and name HA ) 3.4 0.3 0.3
assign (resid 72 and name HN ) (resid 69 and name HA ) 4.1 0.5 0.5
assign (resid 90 and name HN ) (resid 87 and name HA ) 3.4 0.3 0.3
assign (resid 91 and name HN ) (resid 88 and name HA ) 3.4 0.3 0.3
assign (resid 92 and name HN ) (resid 89 and name HA ) 3.4 0.3 0.3
assign (resid 93 and name HN ) (resid 90 and name HA ) 3.4 0.3 0.3
assign (resid 94 and name HN ) (resid 91 and name HA ) 3.4 0.3 0.3
assign (resid 102 and name HN ) (resid 99 and name HA ) 4.2 0.6 0.8
! ========== Ha (i) - Hb (i+3) ==========================
assign (resid 18 and name HA ) (resid 21 and name HB#) 3.4 0.3 1.3
assign (resid 20 and name HA ) (resid 23 and name HB2) 3.5 0.3 0.3
assign (resid 21 and name HA ) (resid 24 and name HB ) 4.2 0.6 0.8
assign (resid 22 and name HA ) (resid 25 and name HB#) 4.2 0.6 1.8
assign (resid 23 and name HA ) (resid 26 and name HB ) 3.2 0.3 0.3
assign (resid 24 and name HA ) (resid 27 and name HB#) 3.8 0.3 1.3
assign (resid 42 and name HB# ) (resid 39 and name HA ) 3.4 0.3 1.3
assign (resid 43 and name HB# ) (resid 40 and name HA ) 3.4 0.3 1.3
assign (resid 44 and name HB# ) (resid 41 and name HA ) 4.2 0.6 1.8
assign (resid 45 and name HB# ) (resid 42 and name HA ) 4.2 0.6 1.8
assign (resid 46 and name HB# ) (resid 43 and name HA ) 3.4 0.3 1.3
assign (resid 49 and name HB# ) (resid 46 and name HA ) 3.4 0.3 1.3
assign (resid 60 and name HA ) (resid 63 and name HB# ) 3.5 0.3 1.3
assign (resid 91 and name HB# ) (resid 88 and name HA ) 3.4 0.3 1.3
assign (resid 92 and name HB# ) (resid 89 and name HA ) 3.0 0.3 1.3
! ==================================================
! ========== Ha (i) - NH (I+4) ==========================
assign (resid 21 and name HN ) (resid 17 and name HA ) 4.5 0.6 0.8
assign (resid 24 and name HN ) (resid 20 and name HA ) 4.2 0.6 0.8
assign (resid 26 and name HN ) (resid 22 and name HA ) 4.2 0.6 0.8
assign (resid 27 and name HN ) (resid 23 and name HA ) 4.2 0.6 0.8
assign (resid 29 and name HN ) (resid 25 and name HA ) 4.2 0.6 0.8
assign (resid 30 and name HN ) (resid 26 and name HA ) 3.6 0.3 0.3
assign (resid 41 and name HN ) (resid 37 and name HA ) 3.6 0.3 0.3
assign (resid 42 and name HN ) (resid 38 and name HA ) 4.2 0.6 0.8
assign (resid 45 and name HN ) (resid 41 and name HA ) 4.2 0.6 0.8
assign (resid 47 and name HN ) (resid 43 and name HA ) 4.2 0.6 0.8
assign (resid 48 and name HN ) (resid 44 and name HA ) 4.2 0.6 0.8
assign (resid 49 and name HN ) (resid 45 and name HA ) 4.2 0.6 0.8
assign (resid 61 and name HN ) (resid 57 and name HA ) 4.2 0.6 0.8
assign (resid 63 and name HN ) (resid 59 and name HA ) 4.2 0.6 0.8
assign (resid 64 and name HN ) (resid 60 and name HA ) 4.2 0.6 0.8
assign (resid 65 and name HN ) (resid 61 and name HA ) 3.4 0.3 0.3
assign (resid 66 and name HN ) (resid 62 and name HA ) 3.4 0.3 0.3
assign (resid 67 and name HN ) (resid 76 and name HA#) 4.2 0.6 1.8
assign (resid 91 and name HN ) (resid 87 and name HA ) 4.2 0.6 0.8
assign (resid 92 and name HN ) (resid 88 and name HA ) 4.2 0.6 0.8
assign (resid 104 and name HN ) (resid 100 and name HA ) 3.4 0.3 0.3
! =========== Other Medium range NOEs =========================
assign (resid 12 and name HN ) (resid 9 and name HN ) 4.2 0.6 0.8
assign (resid 23 and name HD#) (resid 27 and name HD# ) 4.2 0.6 3.8
assign (resid 23 and name HE#) (resid 27 and name HD# ) 2.8 0.3 3.3
assign (resid 24 and name HG1#) (resid 28 and name HB ) 3.2 0.3 1.3
assign (resid 24 and name HG2#) (resid 28 and name HB ) 4.2 0.6 50.0
!assign (resid 36 and name HN ) (resid 39 and name HB# ) 4.2 0.6 1.8
!assign (resid 36 and name HN ) (resid 39 and name HG# ) 4.2 0.6 1.8
!assign (resid 37 and name HN ) (resid 40 and name HB# ) 4.2 0.6 1.8
!assign (resid 37 and name HN ) (resid 40 and name HG# ) 4.2 0.6 50.0
assign (resid 38 and name HN ) (resid 36 and name HB# ) 3.0 0.3 1.3
assign (resid 39 and name HN ) (resid 36 and name HN ) 4.2 0.6 0.8
assign (resid 39 and name HN ) (resid 36 and name HB# ) 4.2 0.6 1.8
assign (resid 44 and name HN ) (resid 42 and name HB# ) 4.2 0.6 1.8
assign (resid 45 and name HN ) (resid 42 and name HB# ) 4.2 0.6 1.8
assign (resid 47 and name HN ) (resid 44 and name HB1 ) 4.2 0.6 0.8
assign (resid 56 and name HN ) (resid 53 and name HB#) 4.2 0.6 1.8
assign (resid 69 and name HN ) (resid 67 and name HG* ) 4.2 0.6 3.2
assign (resid 69 and name HG# ) (resid 67 and name HG* ) 3.4 0.3 3.7
assign (resid 71 and name HN ) (resid 69 and name HB ) 3.0 0.3 0.3
assign (resid 72 and name HN ) (resid 69 and name HN ) 4.2 0.6 0.8
assign (resid 72 and name HN ) (resid 69 and name HB ) 4.2 0.6 0.8
assign (resid 73 and name HN ) (resid 70 and name HN ) 4.2 0.6 0.8
assign (resid 73 and name HN ) (resid 71 and name HB1) 4.2 0.6 0.8
assign (resid 73 and name HN ) (resid 71 and name HB2) 4.2 0.6 0.8
assign (resid 85 and name HN ) (resid 82 and name HN ) 3.3 0.3 0.3
assign (resid 87 and name HA ) (resid 90 and name HE2# ) 3.4 0.3 1.3
assign (resid 91 and name HN ) (resid 89 and name HG1# ) 4.2 0.6 1.8
assign (resid 91 and name HN ) (resid 89 and name HG2# ) 4.2 0.6 1.8
assign (resid 92 and name HN ) (resid 89 and name HG* ) 4.2 0.6 3.2
assign (resid 97 and name HN ) (resid 99 and name HG2# ) 3.8 0.3 1.3
assign (resid 101 and name HN ) (resid 99 and name HB ) 3.4 0.3 0.3
assign (resid 101 and name HN ) (resid 99 and name HG2# ) 3.4 0.3 1.3
assign (resid 104 and name HN ) (resid 102 and name HB# ) 3.8 0.3 1.3
assign (resid 106 and name HN ) (resid 104 and name HD# ) 4.2 0.6 1.8
assign (resid 109 and name HN ) (resid 107 and name HA ) 4.2 0.6 0.8
assign (resid 109 and name HN ) (resid 107 and name HB ) 4.2 0.6 0.8
assign (resid 113 and name HD# ) (resid 117 and name HD1# ) 2.8 0.3 3.3
assign (resid 113 and name HE# ) (resid 117 and name HD1# ) 2.8 0.3 3.3
assign (resid 113 and name HZ ) (resid 117 and name HD1# ) 4.2 0.6 1.8
assign (resid 113 and name HD# ) (resid 117 and name HD2# ) 2.8 0.3 3.3
assign (resid 113 and name HE# ) (resid 117 and name HD2# ) 2.8 0.3 3.3
assign (resid 113 and name HZ ) (resid 117 and name HD2# ) 4.2 0.6 1.8
assign (resid 122 and name HN ) (resid 120 and name HB# ) 3.4 0.3 1.3
!*********************Long Range NOEs ********************************
!In oder of residue
assign (resid 6 and name HB1 ) (resid 55 and name HB1 ) 3.5 0.3 0.3
assign (resid 7 and name HN ) (resid 12 and name HD# ) 4.2 0.6 1.8
!assign (resid 7 and name HN ) (resid 12 and name HN ) 4.2 0.6 0.8
assign (resid 9 and name HN ) (resid 13 and name HA ) 3.4 0.3 0.3
assign (resid 14 and name HN ) (resid 9 and name HN ) 4.2 0.6 0.8
assign (resid 14 and name HD2 ) (resid 9 and name HA1 ) 3.8 0.3 0.3
assign (resid 14 and name HD2 ) (resid 9 and name HA2 ) 3.0 0.3 0.3
assign (resid 14 and name HE1 ) (resid 9 and name HA1 ) 4.2 0.6 0.8
assign (resid 14 and name HE1 ) (resid 9 and name HA2 ) 4.2 0.6 0.8
assign (resid 14 and name HE1 ) (resid 69 and name HA ) 3.4 0.3 0.3
assign (resid 14 and name HE1 ) (resid 69 and name HB ) 4.2 0.6 0.8
assign (resid 14 and name HE1 ) (resid 69 and name HG2#) 3.2 0.3 1.3
assign (resid 14 and name HE1 ) (resid 70 and name HB# ) 4.2 0.6 1.8
assign (resid 15 and name HD2# ) (resid 18 and name HB# ) 4.2 0.6 2.8
assign (resid 17 and name HA ) (resid 44 and name HA ) 4.2 0.6 0.8
assign (resid 18 and name HN ) (resid 47 and name HE21 ) 3.4 0.3 0.3
assign (resid 18 and name HN ) (resid 47 and name HE22 ) 3.4 0.3 0.3
assign (resid 19 and name HN ) (resid 47 and name HE21 ) 3.4 0.3 0.3
assign (resid 19 and name HN ) (resid 47 and name HE22 ) 3.4 0.3 0.3
assign (resid 19 and name HN ) (resid 44 and name HA ) 4.2 0.6 0.8
assign (resid 21 and name HE ) (resid 82 and name HD2# ) 4.2 0.6 1.8
assign (resid 22 and name HD1 ) (resid 19 and name HA ) 3.6 0.3 0.3
assign (resid 22 and name HE3 ) (resid 82 and name HD1#) 3.4 0.3 1.3
assign (resid 22 and name HE3 ) (resid 82 and name HD2#) 4.2 0.6 1.8
assign (resid 22 and name HZ2 ) (resid 82 and name HD1#) 4.2 0.6 1.8
assign (resid 22 and name HZ2 ) (resid 82 and name HD2#) 3.8 0.3 1.3
assign (resid 22 and name HD1 ) (resid 82 and name HD1#) 4.2 0.6 50.0
assign (resid 22 and name HD1 ) (resid 82 and name HD2#) 4.2 0.6 50.0
assign (resid 22 and name HH2 ) (resid 82 and name HD1#) 3.7 0.3 1.3
assign (resid 22 and name HH2 ) (resid 82 and name HD2#) 2.6 0.3 1.3
assign (resid 22 and name HZ3 ) (resid 82 and name HD1#) 2.4 0.3 1.3
assign (resid 22 and name HZ3 ) (resid 82 and name HD2#) 2.6 0.3 1.3
!assign (resid 22 and name HH2 ) (resid 82 and name HA ) 4.2 0.6 0.8
!assign (resid 22 and name HZ3 ) (resid 82 and name HA ) 4.2 0.6 0.8
assign (resid 23 and name HD# ) (resid 20 and name HA ) 2.8 0.3 2.3
assign (resid 23 and name HD# ) (resid 40 and name HN ) 4.2 0.6 2.8
assign (resid 23 and name HD# ) (resid 40 and name HA ) 4.2 0.6 2.8
assign (resid 23 and name HD# ) (resid 40 and name HB1 ) 3.0 0.3 2.3
assign (resid 23 and name HD# ) (resid 40 and name HB2 ) 3.0 0.3 2.3
assign (resid 23 and name HD# ) (resid 40 and name HG# ) 3.4 0.3 3.3
assign (resid 23 and name HD# ) (resid 37 and name HG2# ) 2.8 0.3 3.3
assign (resid 23 and name HE# ) (resid 37 and name HG2# ) 2.3 0.3 3.3
assign (resid 23 and name HE# ) (resid 41 and name HA ) 3.2 0.3 2.3
assign (resid 23 and name HE# ) (resid 41 and name HB2 ) 2.8 0.3 2.3
assign (resid 23 and name HE# ) (resid 41 and name HB1 ) 3.4 0.3 2.3
assign (resid 23 and name HD# ) (resid 41 and name HA ) 4.2 0.6 2.8
assign (resid 23 and name HE# ) (resid 93 and name HZ ) 4.2 0.6 2.8
assign (resid 23 and name HE# ) (resid 93 and name HE# ) 3.4 0.3 4.3
assign (resid 23 and name HD# ) (resid 37 and name HA ) 4.2 0.6 2.8
assign (resid 23 and name HE# ) (resid 37 and name HA ) 4.2 0.6 2.8
assign (resid 23 and name HE# ) (resid 37 and name HB ) 4.2 0.6 2.8
assign (resid 24 and name HA ) (resid 93 and name HD# ) 2.8 0.3 2.3
assign (resid 24 and name HA ) (resid 93 and name HE# ) 2.8 0.3 2.3
!assign (resid 24 and name HN ) (resid 93 and name HA ) 3.8 0.3 0.3
assign (resid 24 and name HG1# ) (resid 93 and name HD# ) 2.3 0.3 3.3
assign (resid 24 and name HG2# ) (resid 93 and name HD# ) 2.1 0.3 3.3
assign (resid 24 and name HG1# ) (resid 93 and name HE# ) 3.4 0.3 3.3
assign (resid 24 and name HG2# ) (resid 93 and name HE# ) 2.8 0.3 3.3
assign (resid 24 and name HG1# ) (resid 94 and name HN ) 4.2 0.6 1.8
assign (resid 24 and name HG2# ) (resid 94 and name HN ) 4.2 0.6 1.8
assign (resid 26 and name HG2# ) (resid 23 and name HE# ) 3.4 0.3 3.3
assign (resid 26 and name HG2# ) (resid 23 and name HD# ) 3.4 0.3 3.3
assign (resid 26 and name HG2# ) (resid 37 and name HG2# ) 3.4 0.3 2.3
assign (resid 27 and name HD# ) (resid 37 and name HG2#) 4.2 0.6 2.8
assign (resid 27 and name HE ) (resid 37 and name HG2#) 4.2 0.6 1.8
!assign (resid 27 and name HA ) (resid 85 and name HB# ) 3.4 0.3 2.3
assign (resid 30 and name HN ) (resid 26 and name HG2# ) 4.2 0.6 1.8
assign (resid 31 and name HN ) (resid 26 and name HA ) 2.5 0.3 0.3
assign (resid 31 and name HN ) (resid 26 and name HG2# ) 4.2 0.6 1.8
assign (resid 37 and name HN ) (resid 26 and name HG2# ) 4.2 0.6 1.8
assign (resid 37 and name HG2# ) (resid 23 and name HE# ) 2.8 0.3 3.3
assign (resid 37 and name HG2# ) (resid 23 and name HD# ) 3.4 0.3 3.3
!assign (resid 40 and name HN ) (resid 26 and name HG2#) 4.2 0.6 1.8
assign (resid 40 and name HN ) (resid 23 and name HD# ) 3.8 0.3 2.3
!assign (resid 40 and name HN ) (resid 36 and name HB# ) 3.8 0.3 1.3
assign (resid 41 and name HN ) (resid 23 and name HD# ) 3.4 0.3 2.3
assign (resid 41 and name HN ) (resid 23 and name HE# ) 3.4 0.3 2.3
assign (resid 43 and name HN ) (resid 39 and name HA ) 4.2 0.6 0.8
assign (resid 44 and name HA ) (resid 19 and name HB# ) 4.2 0.6 1.8
assign (resid 44 and name HA ) (resid 20 and name HA ) 4.2 0.6 0.8
assign (resid 44 and name HB# ) (resid 20 and name HA ) 4.2 0.6 1.8
assign (resid 48 and name HN ) (resid 17 and name HD* ) 3.4 0.3 2.7
assign (resid 50 and name HN ) (resid 105 and name HD* ) 4.2 0.6 3.2
assign (resid 54 and name HD# ) (resid 108 and name HG2# ) 4.2 0.6 3.8
assign (resid 54 and name HE# ) (resid 108 and name HG2# ) 4.2 0.6 3.8
assign (resid 59 and name HN ) (resid 12 and name HD#) 4.2 0.6 1.8
assign (resid 62 and name HA ) (resid 67 and name HG* ) 4.2 0.6 1.8
assign (resid 65 and name HA ) (resid 77 and name HA ) 4.2 0.6 0.8
assign (resid 65 and name HA ) (resid 77 and name HB# ) 4.2 0.6 1.8
assign (resid 65 and name HN ) (resid 77 and name HA ) 4.2 0.6 0.8
assign (resid 66 and name HN ) (resid 62 and name HN ) 4.2 0.6 0.8
assign (resid 66 and name HN ) (resid 77 and name HA ) 4.2 0.6 0.8
assign (resid 66 and name HN ) (resid 77 and name HN ) 4.2 0.6 0.8
assign (resid 67 and name HN ) (resid 62 and name HA ) 3.8 0.3 0.3
assign (resid 67 and name HN ) (resid 75 and name HN ) 3.4 0.3 0.3
assign (resid 67 and name HN ) (resid 75 and name HA ) 4.2 0.6 0.8
assign (resid 67 and name HN ) (resid 74 and name HA ) 4.2 0.6 0.8
!assign (resid 68 and name HA ) (resid 74 and name HB2 ) 4.2 0.6 2.8
assign (resid 68 and name HA ) (resid 74 and name HD2 ) 4.2 0.6 0.8
assign (resid 69 and name HN ) (resid 74 and name HA ) 3.2 0.3 0.3
assign (resid 72 and name HN ) (resid 68 and name HG1# ) 3.2 0.3 1.3
!assign (resid 72 and name HA# ) (resid 68 and name HG2# ) 2.8 0.3 3.3
!Tad assign (resid 73 and name HN ) (resid 69 and name HN ) 3.2 0.3 0.3
assign (resid 73 and name HN ) (resid 68 and name HG1#) 4.2 0.6 1.8
!assign (resid 74 and name HN ) (resid 68 and name HG1# ) 4.2 0.6 1.8
!assign (resid 74 and name HN ) (resid 68 and name HG2# ) 4.2 0.6 1.8
!assign (resid 74 and name HA ) (resid 73 and name HA ) 4.2 0.6 0.8
assign (resid 74 and name HA ) (resid 68 and name HA ) 2.3 0.3 0.3
assign (resid 74 and name HA ) (resid 68 and name HG1# ) 4.1 0.6 1.8
assign (resid 74 and name HA ) (resid 68 and name HG2# ) 3.3 0.3 1.3
assign (resid 74 and name HD2 ) (resid 68 and name HG1# ) 3.4 0.3 1.3
assign (resid 74 and name HD2 ) (resid 68 and name HG2# ) 2.5 0.3 1.3
assign (resid 74 and name HE1 ) (resid 68 and name HG2# ) 2.8 0.3 1.3
!assign (resid 75 and name HN ) (resid 62 and name HG1# ) 4.2 0.6 1.8
assign (resid 75 and name HN ) (resid 62 and name HG2# ) 4.2 0.6 1.8
assign (resid 75 and name HN ) (resid 69 and name HG2# ) 4.2 0.6 1.8
!assign (resid 75 and name HN ) (resid 68 and name HB ) 4.2 0.6 0.8
assign (resid 75 and name HN ) (resid 68 and name HA ) 3.4 0.3 0.3
!assign (resid 75 and name HN ) (resid 68 and name HG1# ) 3.8 0.3 3.3
!assign (resid 75 and name HN ) (resid 68 and name HG2# ) 3.4 0.3 3.3
assign (resid 75 and name HN ) (resid 67 and name HN ) 2.8 0.3 0.3
assign (resid 75 and name HN ) (resid 67 and name HG1#) 3.4 0.3 1.3
assign (resid 75 and name HN ) (resid 67 and name HG2#) 4.2 0.6 1.8
assign (resid 76 and name HN ) (resid 67 and name HG1#) 4.2 0.6 1.8
assign (resid 76 and name HN ) (resid 67 and name HG2#) 4.2 0.6 50.0
assign (resid 77 and name HN ) (resid 66 and name HN ) 4.2 0.6 0.8
assign (resid 77 and name HN ) (resid 66 and name HA1 ) 4.2 0.6 0.8
assign (resid 77 and name HN ) (resid 66 and name HA2 ) 2.8 0.3 0.3
!assign (resid 77 and name HN ) (resid 62 and name HA ) 4.2 0.6 0.8
assign (resid 66 and name HN ) (resid 76 and name HA1) 4.2 0.6 0.8
assign (resid 66 and name HN ) (resid 76 and name HA2) 4.5 0.4 50.0
assign (resid 81 and name HN ) (resid 87 and name HA ) 4.2 0.6 0.8
assign (resid 81 and name HN ) (resid 87 and name HD1 ) 4.2 0.6 0.8
assign (resid 81 and name HN ) (resid 87 and name HD2 ) 4.2 0.6 0.8
assign (resid 81 and name HA ) (resid 90 and name HE2# ) 4.2 0.6 1.8
assign (resid 81 and name HA ) (resid 86 and name HA ) 2.3 0.3 0.3
assign (resid 81 and name HN ) (resid 86 and name HA ) 4.2 0.6 0.8
assign (resid 82 and name HN ) (resid 86 and name HA ) 3.4 0.3 0.3
assign (resid 82 and name HN ) (resid 90 and name HE21 ) 4.2 0.6 0.8
assign (resid 82 and name HN ) (resid 90 and name HE22 ) 4.2 0.6 0.8
assign (resid 85 and name HA ) (resid 29 and name HB# ) 3.8 0.3 1.3
assign (resid 85 and name HA ) (resid 89 and name HG1# ) 3.8 0.3 1.3
assign (resid 85 and name HA ) (resid 89 and name HG2# ) 3.4 0.3 1.3
assign (resid 85 and name HA ) (resid 89 and name HB ) 3.4 0.3 0.3
assign (resid 86 and name HD1 ) (resid 89 and name HG* ) 4.2 0.6 3.2
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assign (resid 87 and name HN ) (resid 82 and name HN ) 4.2 0.6 0.8
assign (resid 87 and name HN ) (resid 81 and name HN ) 4.2 0.6 0.8
assign (resid 87 and name HN ) (resid 81 and name HA ) 3.4 0.3 0.3
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assign (resid 88 and name HN ) (resid 81 and name HN ) 4.2 0.6 50.0
assign (resid 90 and name HE2#) (resid 82 and name HD1#) 4.2 0.6 2.8
assign (resid 91 and name HE ) (resid 64 and name HB1 ) 4.2 0.6 0.8
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assign (resid 91 and name HE ) (resid 64 and name HG# ) 3.8 0.3 1.3
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assign (resid 93 and name HE# ) (resid 27 and name HB#) 3.2 0.3 3.3
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assign (resid 93 and name HZ# ) (resid 27 and name HB#) 2.9 0.3 3.3
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assign (resid 103 and name HB1 ) (resid 48 and name HD1# ) 3.4 0.3 1.3
assign (resid 103 and name HB1 ) (resid 48 and name HD2# ) 3.4 0.3 1.3
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assign (resid 105 and name HN ) (resid 100 and name HA ) 4.2 0.6 0.8
assign (resid 105 and name HN ) (resid 112 and name HA ) 4.2 0.6 50.0
assign (resid 107 and name HA ) (resid 53 and name HA ) 3.4 0.3 0.3
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assign (resid 107 and name HB ) (resid 98 and name HG1# ) 3.8 0.3 1.3
assign (resid 107 and name HG2#) (resid 98 and name HG1# ) 2.5 0.3 2.3
assign (resid 107 and name HG2#) (resid 98 and name HB ) 3.4 0.3 1.3
assign (resid 107 and name HA ) (resid 104 and name HD21 ) 4.2 0.6 50.0
assign (resid 107 and name HA ) (resid 104 and name HD22 ) 4.2 0.6 50.0
assign (resid 107 and name HA ) (resid 54 and name HB# ) 4.2 0.6 50.0
assign (resid 107 and name HA ) (resid 54 and name HD# ) 4.2 0.6 50.0
assign (resid 107 and name HA ) (resid 54 and name HE# ) 4.2 0.6 50.0
assign (resid 109 and name HB# ) (resid 113 and name HD# ) 4.2 0.6 3.8
assign (resid 109 and name HB# ) (resid 113 and name HE# ) 3.2 0.3 3.3
assign (resid 109 and name HB# ) (resid 113 and name HZ ) 4.2 0.6 1.8
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assign (resid 109 and name HE1 ) (resid 113 and name HD# ) 4.2 0.6 2.8
assign (resid 109 and name HE1 ) (resid 113 and name HE# ) 4.2 0.6 2.8
assign (resid 109 and name HE1 ) (resid 114 and name HA ) 4.2 0.6 0.8
assign (resid 109 and name HD2 ) (resid 114 and name HB1 ) 3.4 0.3 0.3
assign (resid 109 and name HD2 ) (resid 114 and name HB2 ) 3.4 0.3 0.3
assign (resid 109 and name HD2 ) (resid 114 and name HA ) 2.8 0.3 0.3
assign (resid 112 and name HA ) (resid 98 and name HB ) 4.2 0.6 0.8
assign (resid 112 and name HA ) (resid 98 and name HG2# ) 4.2 0.6 1.8
assign (resid 112 and name HA ) (resid 106 and name HA ) 3.8 0.3 0.3
assign (resid 112 and name HA ) (resid 99 and name HA ) 4.2 0.6 0.8
assign (resid 113 and name HN ) (resid 99 and name HA ) 4.2 0.6 0.8
assign (resid 113 and name HN ) (resid 106 and name HA ) 4.2 0.6 0.8
!assign (resid 113 and name HN ) (resid 98 and name HG1# ) 3.4 0.3 3.3
assign (resid 113 and name HN ) (resid 107 and name HG2# ) 3.0 0.3 0.3
!assign (resid 113 and name HN ) (resid 98 and name HB ) 4.2 0.6 0.8
assign (resid 113 and name HD# ) (resid 109 and name HA ) 4.2 0.6 2.8
assign (resid 113 and name HE# ) (resid 109 and name HA ) 3.4 0.3 2.3
assign (resid 113 and name HZ ) (resid 109 and name HA ) 4.2 0.6 0.8
assign (resid 113 and name HD# ) (resid 109 and name HD2 ) 3.4 0.3 2.3
assign (resid 114 and name HN ) (resid 99 and name HG2# ) 4.2 0.6 1.8
assign (resid 114 and name HN ) (resid 98 and name HG2# ) 4.2 0.6 1.8
assign (resid 114 and name HA ) (resid 108 and name HG2# ) 4.2 0.6 1.8
assign (resid 114 and name HA ) (resid 107 and name HG2# ) 4.2 0.6 1.8
assign (resid 115 and name HN ) (resid 109 and name HD2 ) 3.8 0.3 0.3
!================= NOEs with overlapp ===================
assign (resid 15 and name HD2#) (resid 18 and name HB1) 4.2 0.6 1.8
assign (resid 15 and name HD2#) (resid 18 and name HB2) 4.2 0.6 1.8
assign (resid 15 and name HN ) (resid 75 and name HB1) 4.2 0.6 0.8
assign (resid 15 and name HN ) (resid 75 and name HG#) 4.2 0.6 1.8
assign (resid 76 and name HN ) (resid 16 and name HD2) 4.2 0.6 0.8
assign (resid 76 and name HN ) (resid 15 and name HA ) 4.2 0.6 0.8
assign (resid 76 and name HN ) (resid 78 and name HD1# ) 3.6 0.3 1.3
!assign (resid 23 and name HE# ) (resid 38 and name HA ) 4.2 0.6 0.8
!assign (resid 51 and name HN ) (resid 56 and name HA ) 4.2 0.6 0.8
!assign (resid 54 and name HE# ) (resid 117 and name HA ) 4.2 0.6 2.8
!assign (resid 73 and name HN ) (resid 69 and name HG2# ) 3.4 0.3 1.3
!assign (resid 84 and name HN ) (resid 83 and name HB# ) 3.8 0.3 1.3
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!assign (resid 109 and name HD2 ) (resid 117 and name HD1# ) 4.2 0.6 1.8
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assign (resid 109 and name HE1 ) (resid 117 and name HD1# ) 3.4 0.3 1.3
assign (resid 109 and name HE1 ) (resid 117 and name HD2# ) 4.2 0.6 1.8
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assign (resid 103 and name HN ) (resid 98 and name HA) 3.4 0.3 0.3
assign (resid 63 and name HN ) (resid 62 and name HG1#) 4.2 0.6 1.8
assign (resid 63 and name HN ) (resid 62 and name HG2#) 4.2 0.6 1.8
assign (resid 75 and name HN ) (resid 68 and name HG2#) 4.2 0.6 1.8
assign (resid 109 and name HB# ) (resid 113 and name HD# ) 4.2 0.6 3.8
assign (resid 109 and name HB# ) (resid 113 and name HE# ) 3.6 0.3 3.3
assign (resid 109 and name HB# ) (resid 113 and name HZ ) 4.2 0.6 1.8
assign (resid 79 and name HN ) (resid 63 and name HA ) 4.2 0.6 0.8
assign (resid 79 and name HN ) (resid 64 and name HA ) 3.8 0.3 0.3
assign (resid 56 and name HE ) (resid 49 and name HA ) 3.0 0.3 0.3
assign (resid 56 and name HE ) (resid 52 and name HA ) 4.2 0.6 0.8
assign (resid 56 and name HE ) (resid 52 and name HA ) 4.2 0.6 0.8
assign (resid 56 and name HE ) (resid 53 and name HB#) 3.4 0.3 1.3
! =========== non-NOE ======================
assign (resid 66 and name HA# ) (resid 76 and name HA# ) 4.2 0.6 50.0
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assign (resid 5 and name HN ) (resid 21 and name HG2 ) 4.2 0.6 50.0
assign (resid 6 and name HN ) (resid 41 and name HA ) 4.2 0.6 50.0
assign (resid 6 and name HN ) (resid 47 and name HE21) 4.2 0.6 50.0
assign (resid 6 and name HN ) (resid 47 and name HE22) 4.2 0.6 50.0
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assign (resid 6 and name HN ) (resid 94 and name HB# ) 4.2 0.6 50.0
assign (resid 6 and name HN ) (resid 115 and name HA ) 4.2 0.6 50.0
assign (resid 6 and name HA ) (resid 118 and name HN ) 4.2 0.6 50.0
assign (resid 8 and name HA ) (resid 76 and name HN ) 3.5 0.3 50.0
assign (resid 9 and name HN ) (resid 12 and name HB ) 4.2 0.6 50.0
assign (resid 9 and name HN ) (resid 13 and name HB# ) 4.2 0.6 50.0
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assign (resid 10 and name HN ) (resid 12 and name HN ) 4.2 0.6 50.0
assign (resid 10 and name HN ) (resid 13 and name HD# ) 4.2 0.6 50.0
assign (resid 10 and name HN ) (resid 42 and name HB#) 4.2 0.6 50.0
assign (resid 10 and name HN ) (resid 93 and name HE# ) 4.2 0.6 50.0
assign (resid 11 and name HN ) (resid 50 and name HA ) 4.2 0.6 50.0
assign (resid 11 and name HN ) (resid 93 and name HZ ) 4.2 0.6 50.0
assign (resid 11 and name HN ) (resid 73 and name HE# ) 4.2 0.6 50.0
assign (resid 14 and name HN ) (resid 4 and name HG2#) 4.2 0.6 50.0
assign (resid 14 and name HN ) (resid 41 and name HA ) 4.2 0.6 50.0
assign (resid 14 and name HN ) (resid 45 and name HN ) 4.2 0.6 50.0
assign (resid 14 and name HN ) (resid 45 and name HB# ) 4.2 0.6 50.0
assign (resid 14 and name HN ) (resid 51 and name HG* ) 4.2 0.6 50.0
assign (resid 14 and name HN ) (resid 71 and name HA ) 4.2 0.6 50.0
assign (resid 14 and name HD2) (resid 74 and name HN ) 3.5 0.3 50.0
assign (resid 14 and name HE1) (resid 71 and name HN ) 4.2 0.6 50.0
assign (resid 15 and name HN ) (resid 13 and name HA ) 4.2 0.6 50.0
assign (resid 15 and name HN ) (resid 41 and name HA ) 4.2 0.6 50.0
assign (resid 15 and name HN ) (resid 44 and name HB# ) 4.2 0.6 50.0
assign (resid 15 and name HN ) (resid 58 and name HB# ) 4.2 0.6 50.0
assign (resid 15 and name HD21 ) (resid 66 and name HA1 ) 4.2 0.6 50.0
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assign (resid 15 and name HD21 ) (resid 67 and name HG13) 4.2 0.6 50.0
assign (resid 15 and name HD22 ) (resid 62 and name HA ) 4.2 0.6 50.0
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assign (resid 15 and name HB#) (resid 97 and name HN ) 4.2 0.6 50.0
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assign (resid 15 and name HN ) (resid 91 and name HA ) 4.2 0.6 50.0
assign (resid 15 and name HN ) (resid 91 and name HG# ) 4.2 0.6 50.0
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assign (resid 17 and name HN ) (resid 47 and name HB# ) 4.2 0.6 50.0
assign (resid 17 and name HN ) (resid 47 and name HE21) 4.2 0.6 50.0
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assign (resid 17 and name HA ) (resid 94 and name HN ) 4.2 0.6 50.0
assign (resid 19 and name HN ) (resid 47 and name HG1 ) 4.2 0.6 50.0
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assign (resid 20 and name HN ) (resid 94 and name HB# ) 4.2 0.6 50.0
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assign (resid 22 and name HA ) (resid 82 and name HD1#) 4.2 0.6 50.0
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assign (resid 22 and name HN ) (resid 90 and name HA ) 4.2 0.6 50.0
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assign (resid 24 and name HN ) (resid 93 and name HE# ) 4.2 0.6 50.0
assign (resid 24 and name HN ) (resid 93 and name HZ ) 4.2 0.6 50.0
assign (resid 25 and name HN ) (resid 93 and name HD# ) 4.2 0.6 50.0
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assign (resid 28 and name HN ) (resid 85 and name HB# ) 4.2 0.6 50.0
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assign (resid 30 and name HN ) (resid 85 and name HB# ) 4.2 0.6 50.0
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assign (resid 44 and name HN ) (resid 15 and name HA ) 4.2 0.6 50.0
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assign (resid 52 and name HA ) (resid 56 and name HN ) 4.2 0.6 50.0
assign (resid 47 and name HN ) (resid 15 and name HB# ) 4.2 0.6 50.0
assign (resid 53 and name HN ) (resid 48 and name HD# ) 4.2 0.6 50.0
assign (resid 53 and name HN ) (resid 56 and name HN ) 4.2 0.6 50.0
assign (resid 53 and name HN ) (resid 56 and name HA ) 4.2 0.6 50.0
assign (resid 53 and name HN ) (resid 57 and name HN ) 4.2 0.6 50.0
assign (resid 53 and name HN ) (resid 98 and name HG# ) 4.2 0.6 50.0
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assign (resid 57 and name HN ) (resid 106 and name HB# ) 4.2 0.6 50.0
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assign (resid 62 and name HN ) (resid 14 and name HB# ) 4.2 0.6 50.0
assign (resid 63 and name HA ) (resid 75 and name HN ) 4.2 0.6 50.0
assign (resid 63 and name HB#) (resid 74 and name HN ) 4.2 0.6 50.0
assign (resid 64 and name HA ) (resid 78 and name HN ) 4.2 0.6 50.0
assign (resid 65 and name HN ) (resid 77 and name HN ) 4.2 0.6 50.0
assign (resid 65 and name HA ) (resid 77 and name HN ) 4.2 0.6 50.0
assign (resid 68 and name HN ) (resid 74 and name HB# ) 4.2 0.6 50.0
assign (resid 70 and name HN ) (resid 14 and name HE1 ) 4.2 0.6 50.0
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assign (resid 73 and name HN ) (resid 70 and name HB# ) 4.2 0.6 50.0
assign (resid 75 and name HN ) (resid 67 and name HA ) 4.2 0.6 50.0
assign (resid 76 and name HN ) (resid 80 and name HE# ) 4.2 0.6 50.0
assign (resid 76 and name HN ) (resid 87 and name HD# ) 4.2 0.6 50.0
assign (resid 76 and name HN ) (resid 91 and name HD# ) 4.2 0.6 50.0
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assign (resid 77 and name HN ) (resid 87 and name HD# ) 4.2 0.6 50.0
assign (resid 77 and name HN ) (resid 87 and name HE ) 4.2 0.6 50.0
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assign (resid 77 and name HN ) (resid 65 and name HA ) 4.2 0.6 50.0
assign (resid 78 and name HN ) (resid 65 and name HA ) 4.2 0.6 50.0
assign (resid 78 and name HN ) (resid 66 and name HA# ) 4.2 0.6 50.0
assign (resid 78 and name HN ) (resid 67 and name HB ) 4.2 0.6 50.0
assign (resid 78 and name HN ) (resid 87 and name HE ) 4.2 0.6 50.0
assign (resid 80 and name HN ) (resid 85 and name HA ) 4.2 0.6 50.0
assign (resid 80 and name HN ) (resid 86 and name HD# ) 4.2 0.6 50.0
assign (resid 80 and name HN ) (resid 87 and name HN ) 4.2 0.6 50.0
assign (resid 80 and name HB#) (resid 87 and name HN ) 4.2 0.6 50.0
assign (resid 80 and name HN ) (resid 90 and name HG# ) 4.2 0.6 50.0
assign (resid 81 and name HN ) (resid 86 and name HB# ) 4.2 0.6 50.0
assign (resid 81 and name HN ) (resid 89 and name HN ) 4.2 0.6 50.0
assign (resid 81 and name HN ) (resid 87 and name HG# ) 4.2 0.6 50.0
assign (resid 81 and name HN ) (resid 90 and name HE# ) 4.2 0.6 50.0
assign (resid 82 and name HN ) (resid 29 and name HB# ) 4.2 0.6 50.0
assign (resid 82 and name HN ) (resid 86 and name HB# ) 4.2 0.6 50.0
assign (resid 87 and name HN ) (resid 90 and name HE# ) 4.2 0.6 50.0
assign (resid 94 and name HN ) (resid 26 and name HG2#) 4.2 0.6 50.0
assign (resid 97 and name HN ) (resid 99 and name HN ) 4.2 0.6 50.0
assign (resid 98 and name HG21) (resid 107 and name HN ) 4.2 0.6 50.0
assign (resid 98 and name HG23) (resid 107 and name HN ) 4.2 0.6 50.0
assign (resid 98 and name HN ) (resid 113 and name HN ) 4.2 0.6 50.0
assign (resid 99 and name HN ) (resid 101 and name HG* ) 4.2 0.6 50.0
assign (resid 99 and name HN ) (resid 112 and name HA ) 4.2 0.6 50.0
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assign (resid 100 and name HN ) (resid 49 and name HB# ) 4.2 0.6 50.0
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assign (resid 100 and name HN ) (resid 53 and name HB# ) 4.2 0.6 50.0
assign (resid 100 and name HN ) (resid 106 and name HB# ) 4.2 0.6 50.0
assign (resid 100 and name HN ) (resid 107 and name HN ) 4.2 0.6 50.0
assign (resid 100 and name HN ) (resid 107 and name HA ) 4.2 0.6 50.0
assign (resid 100 and name HN ) (resid 107 and name HG2#) 4.2 0.6 50.0
assign (resid 100 and name HN ) (resid 112 and name HA ) 4.2 0.6 50.0
assign (resid 100 and name HN ) (resid 112 and name HB1 ) 4.2 0.6 50.0
assign (resid 100 and name HN ) (resid 112 and name HB2 ) 4.2 0.6 50.0
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assign (resid 101 and name HN ) (resid 107 and name HA ) 4.2 0.6 50.0
assign (resid 105 and name HN ) (resid 99 and name HB ) 4.2 0.6 50.0
assign (resid 105 and name HN ) (resid 101 and name HN ) 4.2 0.6 50.0
assign (resid 105 and name HN ) (resid 101 and name HG* ) 4.2 0.6 50.0
assign (resid 105 and name HN ) (resid 102 and name HN ) 4.2 0.6 50.0
assign (resid 105 and name HN ) (resid 101 and name HA ) 4.2 0.6 50.0
assign (resid 106 and name HN ) (resid 101 and name HA ) 4.2 0.6 50.0
assign (resid 106 and name HN ) (resid 112 and name HA ) 4.2 0.6 50.0
assign (resid 106 and name HN ) (resid 99 and name HB ) 4.2 0.6 50.0
assign (resid 106 and name HN ) (resid 99 and name HG2#) 4.2 0.6 50.0
assign (resid 106 and name HN ) (resid 112 and name HA ) 4.2 0.6 50.0
assign (resid 107 and name HN ) (resid 98 and name HG* ) 4.2 0.6 50.0
assign (resid 107 and name HN ) (resid 99 and name HA ) 4.2 0.6 50.0
assign (resid 107 and name HN ) (resid 100 and name HA ) 4.2 0.6 50.0
assign (resid 107 and name HN ) (resid 104 and name HD2#) 4.2 0.6 50.0
assign (resid 107 and name HN ) (resid 104 and name HB# ) 4.2 0.6 50.0
assign (resid 107 and name HN ) (resid 109 and name HE1 ) 4.2 0.6 50.0
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assign (resid 108 and name HN ) (resid 106 and name HB# ) 4.2 0.6 50.0
assign (resid 113 and name HN ) (resid 99 and name HG2#) 4.2 0.6 50.0
assign (resid 114 and name HN ) (resid 97 and name HA ) 4.2 0.6 50.0
assign (resid 114 and name HN ) (resid 53 and name HA ) 4.2 0.6 50.0
assign (resid 114 and name HN ) (resid 107 and name HG2#) 4.2 0.6 50.0
assign (resid 114 and name HN ) (resid 108 and name HA ) 4.2 0.6 50.0
assign (resid 114 and name HN ) (resid 109 and name HD2 ) 4.2 0.6 50.0
assign (resid 114 and name HN ) (resid 109 and name HA ) 4.2 0.6 50.0
assign (resid 115 and name HN ) (resid 109 and name HB# ) 4.2 0.6 50.0
assign (resid 117 and name HN ) (resid 119 and name HN ) 4.2 0.6 50.0
assign (resid 118 and name HN ) (resid 113 and name HZ ) 4.2 0.6 50.0
assign (resid 119 and name HN ) (resid 117 and name HA ) 4.2 0.6 50.0
assign (resid 2 and name HN ) (resid 102 and name HB# ) 4.2 0.6 50.0
assign (resid 2 and name HN ) (resid 102 and name HG# ) 4.2 0.6 50.0
assign (resid 4 and name HN ) (resid 98 and name HB ) 4.2 0.6 50.0
assign (resid 4 and name HN ) (resid 98 and name HG* ) 4.2 0.6 50.0
assign (resid 6 and name HN ) (resid 1 and name HB# ) 4.2 0.6 50.0
assign (resid 7 and name HN ) (resid 55 and name HB# ) 4.2 0.6 50.0
assign (resid 14 and name HN ) (resid 58 and name HN ) 4.2 0.6 50.0
assign (resid 14 and name HN ) (resid 58 and name HA ) 4.2 0.6 50.0
assign (resid 15 and name HN ) (resid 13 and name HB# ) 4.2 0.6 50.0
assign (resid 15 and name HN ) (resid 57 and name HB# ) 4.2 0.6 50.0
assign (resid 15 and name HN ) (resid 61 and name HN ) 4.2 0.6 50.0
assign (resid 17 and name HN ) (resid 60 and name HG* ) 4.2 0.6 50.0
assign (resid 18 and name HN ) (resid 98 and name HB ) 4.2 0.6 50.0
assign (resid 48 and name HN ) (resid 19 and name HB# ) 4.2 0.6 50.0
assign (resid 50 and name HN ) (resid 98 and name HN ) 4.2 0.6 50.0
assign (resid 50 and name HN ) (resid 98 and name HA ) 4.2 0.6 50.0
assign (resid 51 and name HN ) (resid 99 and name HG2#) 4.2 0.6 50.0
assign (resid 53 and name HN ) (resid 55 and name HN ) 4.2 0.6 50.0
assign (resid 53 and name HN ) (resid 107 and name HA ) 4.2 0.6 50.0
assign (resid 53 and name HN ) (resid 99 and name HG2#) 4.2 0.6 50.0
assign (resid 58 and name HN ) (resid 13 and name HA ) 4.2 0.6 50.0
assign (resid 60 and name HN ) (resid 16 and name HA ) 4.2 0.6 50.0
assign (resid 96 and name HN ) (resid 1 and name HA ) 4.2 0.6 50.0
assign (resid 97 and name HN ) (resid 22 and name HE# ) 4.2 0.6 50.0
assign (resid 98 and name HN ) (resid 50 and name HB# ) 4.2 0.6 50.0
assign (resid 98 and name HN ) (resid 106 and name HA ) 4.2 0.6 50.0
assign (resid 98 and name HN ) (resid 112 and name HA ) 4.2 0.6 50.0
assign (resid 99 and name HN ) (resid 101 and name HG* ) 4.2 0.6 50.0
assign (resid 99 and name HN ) (resid 106 and name HN ) 4.2 0.6 50.0
assign (resid 99 and name HN ) (resid 106 and name HA ) 4.2 0.6 50.0
assign (resid 99 and name HN ) (resid 107 and name HA ) 4.2 0.6 50.0
assign (resid 100 and name HN ) (resid 104 and name HD2#) 4.2 0.6 50.0
assign (resid 100 and name HN ) (resid 105 and name HN ) 4.2 0.6 50.0
assign (resid 100 and name HN ) (resid 107 and name HG2#) 4.2 0.6 50.0
assign (resid 115 and name HN ) (resid 113 and name HB# ) 4.2 0.6 50.0
!**********Distance constraints of the sekundary structur elements**********
!========== Hydrogen Bonds of the type II turn ======================
assign (resid 82 and name HN ) (resid 85 and name O ) 1.9 0.6 0.3
assign (resid 82 and name N ) (resid 85 and name O ) 2.8 0.6 0.2
assign (resid 85 and name HN ) (resid 82 and name O ) 1.9 0.6 0.3
assign (resid 85 and name N ) (resid 82 and name O ) 2.8 0.6 0.2
assign (resid 103 and name HN ) (resid 97 and name O ) 1.9 0.6 0.4
assign (resid 103 and name N ) (resid 97 and name O ) 2.8 0.6 0.4
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