NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
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1872 |
1b3c   |
4279 | cing | recoord | 1-original | 1 | XPLOR/CNS | dihedral angle |
!! Constraints
!! LYS-1
assign ( resid 1 and name n ) ( resid 1 and name ca)
( resid 1 and name c ) ( resid 2 and name n ) 1.0 110.0 90.0 2
!! ASP-2
assign ( resid 1 and name c ) ( resid 2 and name n )
( resid 2 and name ca) ( resid 2 and name c ) 1.0 -120.0 50.0 2
assign ( resid 2 and name n ) ( resid 2 and name ca)
( resid 2 and name c ) ( resid 3 and name n ) 1.0 110.0 90.0 2
!! GLY-3
assign ( resid 2 and name c ) ( resid 3 and name n )
( resid 3 and name ca) ( resid 3 and name c ) 1.0 -120.0 50.0 2
assign ( resid 3 and name n ) ( resid 3 and name ca)
( resid 3 and name c ) ( resid 4 and name n ) 1.0 110.0 90.0 2
!! TYR-4
assign ( resid 3 and name c ) ( resid 4 and name n )
( resid 4 and name ca) ( resid 4 and name c ) 1.0 -120. 50.0 2
assign ( resid 4 and name n ) ( resid 4 and name ca)
( resid 4 and name c ) ( resid 5 and name n ) 1.0 110.0 90.0 2
!! VAL-6
assign ( resid 5 and name c ) ( resid 6 and name n )
( resid 6 and name ca) ( resid 6 and name c ) 1.0 -120. 50.0 2
assign ( resid 6 and name n ) ( resid 6 and name ca)
( resid 6 and name c ) ( resid 7 and name n ) 1.0 110.0 90.0 2
!! GLU-7
assign ( resid 6 and name c ) ( resid 7 and name n )
( resid 7 and name ca) ( resid 7 and name c ) 1.0 -120. 50.0 2
assign ( resid 7 and name n ) ( resid 7 and name ca)
( resid 7 and name c ) ( resid 8 and name n ) 1.0 110.0 90.0 2
!! LYS-8
assign ( resid 7 and name c ) ( resid 8 and name n )
( resid 8 and name ca) ( resid 8 and name c ) 1.0 -60 50.0 2
!! THR-9
assign ( resid 8 and name c ) ( resid 9 and name n )
( resid 9 and name ca) ( resid 9 and name c ) 1.0 -60. 50.0 2
!! CYS-11
assign ( resid 10 and name c ) ( resid 11 and name n )
( resid 11 and name ca) ( resid 11 and name c ) 1.0 -100. 50.0 2
assign ( resid 11 and name n ) ( resid 11 and name ca)
( resid 11 and name c ) ( resid 12 and name n ) 1.0 110.0 90.0 2
!! LYS-12
assign ( resid 11 and name c ) ( resid 12 and name n )
( resid 12 and name ca) ( resid 12 and name c ) 1.0 -60.0 50.0 2
assign ( resid 12 and name n ) ( resid 12 and name ca)
( resid 12 and name c ) ( resid 13 and name n ) 1.0 110.0 90.0 2
!! LYS-13
assign ( resid 12 and name c ) ( resid 13 and name n )
( resid 13 and name ca) ( resid 13 and name c ) 1.0 -120 50.0 2
assign ( resid 13 and name n ) ( resid 13 and name ca)
( resid 13 and name c ) ( resid 14 and name n ) 1.0 110.0 90.0 2
!! THR-14
assign ( resid 13 and name c ) ( resid 14 and name n )
( resid 14 and name ca) ( resid 14 and name c ) 1.0 -60. 50.0 2
assign ( resid 14 and name n ) ( resid 14 and name ca)
( resid 14 and name c ) ( resid 15 and name n ) 1.0 110.0 90.0 2
!! C15, code #27, J=9.64)
assign ( resid 14 and name c ) ( resid 15 and name n )
( resid 15 and name ca) ( resid 15 and name c ) 1.0 -120. 50.0 2
!! TYR-16, code #16, J=10.0)
assign ( resid 15 and name c ) ( resid 16 and name n )
( resid 16 and name ca) ( resid 16 and name c ) 1.0 -120. 50.0 2
!! LYS-17
assign ( resid 16 and name c ) ( resid 17 and name n )
( resid 17 and name ca) ( resid 17 and name c ) 1.0 -120. 50.0 2
assign ( resid 17 and name n ) ( resid 17 and name ca)
( resid 17 and name c ) ( resid 18 and name n ) 1.0 110.0 90.0 2
!! LEU-18
assign ( resid 17 and name c ) ( resid 18 and name n )
( resid 18 and name ca) ( resid 18 and name c ) 1.0 -60. 50.0 2
assign ( resid 18 and name n ) ( resid 18 and name ca)
( resid 18 and name c ) ( resid 19 and name n ) 1.0 110.0 90.0 22
!! ASN-21
assign ( resid 20 and name c ) ( resid 21 and name n )
( resid 21 and name ca) ( resid 21 and name c ) 1.0 -120. 50.0 2
!! ASP-22
assign ( resid 21 and name c ) ( resid 22 and name n )
( resid 22 and name ca) ( resid 22 and name c ) 1.0 -60. 50.0 2
!! PHE-23
assign ( resid 22 and name c ) ( resid 23 and name n )
( resid 23 and name ca) ( resid 23 and name c ) 1.0 -60. 20.0 2
!! CYS-24
assign ( resid 23 and name c ) ( resid 24 and name n )
( resid 24 and name ca) ( resid 24 and name c ) 1.0 -60. 20.0 2
!! ASN-25
assign ( resid 24 and name c ) ( resid 25 and name n )
( resid 25 and name ca) ( resid 25 and name c ) 1.0 -60. 20.0 2
!! ARG-26
assign ( resid 25 and name c ) ( resid 26 and name n )
( resid 26 and name ca) ( resid 26 and name c ) 1.0 -60. 20.0 2
!! GLU-27
assign ( resid 26 and name c ) ( resid 27 and name n )
( resid 27 and name ca) ( resid 27 and name c ) 1.0 -60. 20.0 2
!! CYS-28
assign ( resid 27 and name c ) ( resid 28 and name n )
( resid 28 and name ca) ( resid 28 and name c ) 1.0 -60. 20.0 2
!! #18 (K29, code #41, J=9.3)
assign ( resid 28 and name c ) ( resid 29 and name n )
( resid 29 and name ca) ( resid 29 and name c ) 1.0 -80. 40.0 2
!! #21 (I33, code #40, J=11.8)
assign ( resid 32 and name c ) ( resid 33 and name n )
( resid 33 and name ca) ( resid 33 and name c ) 1.0 -120. 50.0 2
!! GLY-35
assign ( resid 35 and name n ) ( resid 35 and name ca)
( resid 35 and name c ) ( resid 36 and name n ) 1.0 110.0 90.0 2
!! #22 (S36, code #19, J=7.0)
assign ( resid 35 and name c ) ( resid 36 and name n )
( resid 36 and name ca) ( resid 36 and name c ) 1.0 -120. 50.0 2
!! #23 (Y37, code #13, J=8.0)
assign ( resid 36 and name c ) ( resid 37 and name n )
( resid 37 and name ca) ( resid 37 and name c ) 1.0 -120. 50.0 2
!! GLY-38
assign ( resid 37 and name c ) ( resid 38 and name n )
( resid 38 and name ca) ( resid 38 and name c ) 1.0 -120. 50.0 2
!! Tyr-39
assign ( resid 39 and name n ) ( resid 39 and name ca)
( resid 39 and name c ) ( resid 40 and name n ) 1.0 110.0 90.0 2
!! #24 (C40, code #4, J=9.3)
assign ( resid 39 and name c ) ( resid 40 and name n )
( resid 40 and name ca) (resid 40 and name c ) 1.0 -120. 50.0 2
assign ( resid 40 and name n ) ( resid 40 and name ca)
( resid 40 and name c ) ( resid 41 and name n ) 1.0 110.0 90.0 2
!! #25 (Y41, code #7, J=9.4)
assign ( resid 40 and name c ) ( resid 41 and name n )
( resid 41 and name ca) ( resid 41 and name c ) 1.0 -120. 50.0 2
!! #27 (C45, code #62, J=10.)
assign ( resid 44 and name c ) ( resid 45 and name n )
( resid 45 and name ca) ( resid 45 and name c ) 1.0 -120. 50.0 2
assign ( resid 45 and name n ) ( resid 45 and name ca)
( resid 45 and name c ) ( resid 46 and name n ) 1.0 110.0 90.0 2
!! #28 (Y46, code #32, J=14)
assign ( resid 45 and name c ) ( resid 46 and name n )
( resid 46 and name ca) ( resid 46 and name c ) 1.0 -120. 50.0 2
assign ( resid 46 and name n ) ( resid 46 and name ca)
( resid 46 and name c ) ( resid 47 and name n ) 1.0 110.0 90.0 2
!! #29 (C47, code #2, J=11.0)
assign ( resid 46 and name c ) ( resid 47 and name n )
( resid 47 and name ca) ( resid 47 and name c ) 1.0 -120.0 50.0 2
assign ( resid 47 and name n ) ( resid 47 and name ca)
( resid 47 and name c ) ( resid 48 and name n ) 1.0 110.0 90.0 2
!! #30 (E48, code #11, J=12)
assign ( resid 47 and name c ) ( resid 48 and name n )
( resid 48 and name ca) ( resid 48 and name c ) 1.0 -120. 50.0 2
assign ( resid 48 and name n ) ( resid 48 and name ca)
( resid 48 and name c ) ( resid 49 and name n ) 1.0 110.0 90.0 2
!! #31 (L50, code #34, J=8.4)
assign ( resid 49 and name c ) ( resid 50 and name n )
( resid 50 and name ca) ( resid 50 and name c ) 1.0 -60.0 40.0 2
!! PRO 51
assign ( resid 51 and name n ) ( resid 51 and name ca)
( resid 51 and name c ) ( resid 52 and name n ) 1.0 110.0 90.0 2
!! #32 (D52)
assign ( resid 51 and name c ) ( resid 52 and name n )
( resid 52 and name ca) ( resid 52 and name c ) 1.0 -60. 40.0 2
!! #32 (S53, code #39, J=7.5)
assign ( resid 52 and name c ) ( resid 53 and name n )
( resid 53 and name ca) ( resid 53 and name c ) 1.0 -60. 40.0 2
!! #33 (T54, code #52, J=6.5)
assign ( resid 53 and name c ) ( resid 54 and name n )
( resid 54 and name ca) ( resid 54 and name c ) 1.0 -60. 40.0 2
assign ( resid 54 and name n ) ( resid 54 and name ca)
( resid 54 and name c ) ( resid 55 and name n ) 1.0 110.0 90.0 2
!! Q55, code #33, J=8.0)
assign ( resid 54 and name c ) ( resid 55 and name n )
( resid 55 and name ca) ( resid 55 and name c ) 1.0 -60. 40.0 2
assign ( resid 55 and name n ) ( resid 55 and name ca)
( resid 55 and name c ) ( resid 56 and name n ) 1.0 110.0 90.0 2
!! T56, code #15, J=11.8)
assign ( resid 55 and name c ) ( resid 56 and name n )
( resid 56 and name ca) ( resid 56 and name c ) 1.0 -120.0 50.0 2
assign ( resid 56 and name n ) ( resid 56 and name ca)
( resid 56 and name c ) ( resid 57 and name n ) 1.0 110.0 90.0 2
!!TRP-57
assign ( resid 56 and name c ) ( resid 57 and name n )
( resid 57 and name ca) ( resid 57 and name c ) 1.0 -60. 40.0 2
assign ( resid 57 and name n ) ( resid 57 and name ca)
( resid 57 and name c ) ( resid 58 and name n ) 1.0 110.0 90.0 2
!! PRO-58
assign ( resid 58 and name n ) ( resid 58 and name ca)
( resid 58 and name c ) ( resid 59 and name n ) 1.0 110.0 90.0 2
!! L59
assign ( resid 58 and name c ) ( resid 59 and name n )
( resid 59 and name ca) ( resid 59 and name c ) 1.0 -80. 50.0 2
assign ( resid 59 and name n ) ( resid 59 and name ca)
( resid 59 and name c ) ( resid 60 and name n ) 1.0 110.0 90.0 2
!! PRO-60
assign ( resid 60 and name n ) ( resid 60 and name ca)
( resid 60 and name c ) ( resid 61 and name n ) 1.0 110.0 90.0 2
!! ASN-61, code #21, J=7.0)
assign ( resid 60 and name c ) ( resid 61 and name n )
( resid 61 and name ca) ( resid 61 and name c ) 1.0 -80.0 50.0 2
!! assign ( resid 61 and name n ) ( resid 61 and name ca)
!! ( resid 61 and name c ) ( resid 62 and name n ) 1.0 120.0 80.0 2
!! #36 (K62, code #22, J=8.63)
assign ( resid 61 and name c ) ( resid 62 and name n )
( resid 62 and name ca) ( resid 62 and name c ) 1.0 -110. 50.0 2
assign ( resid 62 and name n ) ( resid 62 and name ca)
( resid 62 and name c ) ( resid 63 and name n ) 1.0 110.0 90.0 2
!! #37 (T63, code #29, J=9.0)
assign ( resid 62 and name c ) ( resid 63 and name n )
( resid 63 and name ca) ( resid 63 and name c ) 1.0 -110. 50.0 2
assign ( resid 63 and name n ) ( resid 63 and name ca)
( resid 63 and name c ) ( resid 64 and name n ) 1.0 110.0 90.0 2
!! D2 t2g3
assign (resid 2 and name n ) (resid 2 and name ca)
(resid 2 and name cb) (resid 2 and name cg) 1.0 -60. 60.0 2
!! Y4 g2t3 uf=b1 02oct98 t2g3
assign (resid 4 and name n ) (resid 4 and name ca)
(resid 4 and name cb) (resid 4 and name cg) 1.0 -60. 60.0 2
!! Leu-5 x1=-60, x2=180
assign (resid 5 and name n ) (resid 5 and name ca)
(resid 5 and name cb) (resid 5 and name cg) 1.0 -60. 60.0 2
!! Leu-5
assign (resid 5 and name ca) (resid 5 and name cb)
(resid 5 and name cg) (resid 5 and name cd1) 1.0 180. 60.0 2
!! Val-6 29sep98 g-
assign (resid 6 and name n ) (resid 6 and name ca)
(resid 6 and name cb) (resid 6 and name hb) 1.0 180. 60.0 2
!! Thr-9
assign (resid 9 and name n ) (resid 9 and name ca)
(resid 9 and name cb) (resid 9 and name cg2) 1.0 -60.0 60.0 2
!! C11 ( B1 upfield) g2t3
assign (resid 11 and name n ) (resid 11 and name ca)
(resid 11 and name cb) (resid 11 and name sg) 1.0 -60.0 60.0 2
!! Thr-14
assign (resid 14 and name n ) (resid 14 and name ca)
(resid 14 and name cb) (resid 14 and name cg2) 1.0 180.0 60.0 2
!! C15 (B2 downfield t2g3)
assign (resid 15 and name n ) (resid 15 and name ca)
(resid 15 and name cb) (resid 15 and name sg) 1.0 60.0 60.0 2
!! Y16 ( B1 upfield) t2g3
assign (resid 16 and name n ) (resid 16 and name ca)
(resid 16 and name cb) (resid 16 and name cg) 1.0 -60. 60.0 2
!! Leu-18 x1=-60, x2=180
assign (resid 18 and name n ) (resid 18 and name ca)
(resid 18 and name cb) (resid 18 and name cg) 1.0 -60. 60.0 2
!! Leu-18
assign (resid 18 and name ca) (resid 18 and name cb)
(resid 18 and name cg) (resid 18 and name cd1) 1.0 180. 60.0 2
!! N21 (uf large cc)
assign (resid 21 and name n ) (resid 21 and name ca)
(resid 21 and name cb) (resid 21 and name cg) 1.0 180. 60.0 2
!! D22 (upfield large cc)
assign (resid 22 and name n ) (resid 22 and name ca)
(resid 22 and name cb) (resid 22 and name cg) 1.0 -120 120. 2
!! F23 (B1 downfield) g2t3
assign (resid 23 and name n ) (resid 23 and name ca)
(resid 23 and name cb) (resid 23 and name cg) 1.0 180.0 60.0 2
!! C24 (overlap N25)
assign (resid 24 and name n ) (resid 24 and name ca)
(resid 24 and name cb) (resid 24 and name sg) 1.0 -60.0 60 2
!! C28 (df large cc) 13nov98 g2t3
assign (resid 28 and name n ) (resid 28 and name ca)
(resid 28 and name cb) (resid 28 and name sg) 1.0 180.0 60.0 2
!!S36 () g2g3
assign (resid 36 and name n ) (resid 36 and name ca)
(resid 36 and name cb) (resid 36 and name og) 1.0 60.0 60.0 2
!! Y37 (uf = 10Hz)
assign (resid 37 and name n ) (resid 37 and name ca)
(resid 37 and name cb) (resid 37 and name cg) 1.0 180.0 60.0 2
!!Y39 g2g3
assign (resid 39 and name n ) (resid 39 and name ca)
(resid 39 and name cb) (resid 39 and name cg) 1.0 60.0 60.0 2
!! C40 (df large cc)
assign (resid 40 and name n ) (resid 40 and name ca)
(resid 40 and name cb) (resid 40 and name sg) 1.0 180.0 60. 2
!!#53 Y41 (code # 7, B1 downfield) g2t3
assign (resid 41 and name n ) (resid 41 and name ca)
(resid 41 and name cb) (resid 41 and name cg) 1.0 180.0 60.0 2
!! F43 (uf large cc)
assign (resid 43 and name n ) (resid 43 and name ca)
(resid 43 and name cb) (resid 43 and name cg) 1.0 -60.0 60.0 2
!! C45( B1 upfield) g2t3
assign (resid 45 and name n ) (resid 45 and name ca)
(resid 45 and name cb) (resid 45 and name sg) 1.0 -60. 60.0 2
!! Y46(B1 upfield)
assign (resid 46 and name n ) (resid 46 and name ca)
(resid 46 and name cb) (resid 46 and name cg) 1.0 180. 60.0 2
!! C47 (b2= upfield) t2g3
assign (resid 47 and name n ) (resid 47 and name ca)
(resid 47 and name cb) (resid 47 and name sg) 1.0 -60. 60.0 2
!! L50 t2g3 df=b2
assign (resid 50 and name n ) (resid 50 and name ca)
(resid 50 and name cb) (resid 50 and name cg) 1.0 -60.0 120. 2
!! D52 uf=9Hz
assign (resid 52 and name n ) (resid 52 and name ca)
(resid 52 and name cb) (resid 52 and name cg) 1.0 -60. 60. 2
!! S53 t2g3
assign (resid 53 and name n ) (resid 53 and name ca)
(resid 53 and name cb) (resid 53 and name og) 1.0 -60. 60.0 2
!! Thr-54
assign (resid 54 and name n ) (resid 54 and name ca)
(resid 54 and name cb) (resid 54 and name cg2) 1.0 180.0 60.0 2
!! Thr-56
assign (resid 14 and name n ) (resid 14 and name ca)
(resid 14 and name cb) (resid 14 and name cg2) 1.0 180.0 60.0 2
!! W57 (B1 downfield) g2t3
assign (resid 57 and name n ) (resid 57 and name ca)
(resid 57 and name cb) (resid 57 and name cg) 1.0 180. 60.0 2
!! C64 (B1 downfield) g2t3
assign (resid 64 and name n ) (resid 64 and name ca)
(resid 64 and name cb) (resid 64 and name sg) 1.0 180 60.0 2
!! Proline omega angles; Pro 58 is cis .
!!#61 PRO 51
assign (resid 50 and name ca) (resid 50 and name c)
(resid 51 and name n) (resid 51 and name ca) 1.0 180. 5.0 2
!!#62 PRO 58
assign (resid 57 and name ca) (resid 57 and name c)
(resid 58 and name n) (resid 58 and name ca) 1.0 0.0 5.0 2
!!#63 PRO 60
assign (resid 59 and name ca) (resid 59 and name c)
(resid 60 and name n) (resid 60 and name ca) 1.0 180. 5.0 2
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