NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	cing	stage	position	program	type	subtype	subsubtype
	2129	1bfm	cing	1-original	4	DSPACE	distance	NOE	simple

;
;-------------------------------------
;   OTHER SHORT AND MED RANGE NOEs
;-------------------------------------
;
;HELIX I
;
;Glu2
;def/bou hgr[2] hn[3] 1.8 3.3      ;med in 15n data,wk in 13C data
;
;Leu3
def/bou hg[3] hn[3] 1.8 3.3       ;NOE orienting side-chain
def/bou hn[3] mds[3] 1.8 3.2      ;uf xpk stronger to hn than df 15N, 13C data
def/bou ha[3] mds[3] 1.8 3.2      ;ha3 only sees one of its methyls 13C
def/bou mdr[3] md1[8] 1.8 3.8     ;uf mg, med-str, 3-8,8-3 13C data
;
;Ile5
def/bou mg2[5] ha[5] 1.8 3.2      ;str-orientation of side chain
def/bou mg2[5] hn[5] 1.8 3.2      ;str 13c data--other methyl sees hn weak
;Asp 14
def/bou ha[14] hbs[14] 1.8 2.7    ;assigns stereochem
def/bou hn[14] ha[14] 1.8 2.7     ;assigns stereochem
;Ala17
def/bou mb[17] mg2[12] 1.8 3.2    ;str-13C 12-17 and 17-12
;
;HELIX II
;
;Ile26
def/bou mg2[26] hn[30] 1.8 5.5    ;wk 26-30 13c data, med 15n
;Ile31
def/bou mg2[31] hn[32] 1.8 3.2    ;str 13c data, 15n data
def/bou md1[31] ha[28] 1.8 3.8    ;med 13c data 31-28, (28-31 overlap)
;
;Ser41
def/bou ha[41] md1[44] 1.8 3.8    ;med 2D, observed in 13C data
def/bou ha[41] mg2[44] 1.8 3.8    ;med 2D, observed in 13C data
;Ile44
def/bou mg2[44] hn[45] 1.8 3.8    ;med-str
def/bou md1[44] mb[40] 1.8 5.5    ;wk in model, wk in 110ms data
;Leu46
def/bou ha[46] mds[46] 1.8 3.2    ;str uf xpk
;
;Ile55
def/bou mg2[55] hn[60] 1.8 5.5    ;wk-150ms 13c data
def/bou mg2[55] hbs[59] 1.8 5.5   ;med-wk 13c data
def/bou mg2[55] md1[60] 1.8 3.2   ;str 55-60, 60-55 13c data
def/bou mg2[55] mb[43] 1.8 3.8    ;med-str  43-55, 55-43
def/bou md1[55] hn[47] 1.8 5.5    ;wk 13c data
def/bou md1[55] hn[44] 1.8 5.5    ;wk 13c data
def/bou md1[55] ha[44] 1.8 3.2    ;v strong 55-44
;
;Asp59
def/bou hn[60] hbs[59] 1.8 5.0    ;wk 15n data
def/bou hn[56] hbs[59] 1.8 3.3    ;med 15n data, 2d data
def/bou mb[43] hbr[59] 1.8 3.8    ;med-str 13c data
; 
;HELIX III
;
def/bou hb[64] hn[65] 1.8 3.3     ;med-str-2D,15N,13C
def/bou mgr[64] hn[65] 1.8 3.2    ;str 13C
def/bou mgr[64] ha[61] 1.8 3.8    ;med-str 150ms, med 100ms
def/bou mgr[64] ha[65] 1.8 5.5    ;wk
;
;-----------------------------------------------
;
;   LONG RANGE NOEs-INTRAMOLECULAR
;
;-----------------------------------------------
;
;Leu3
def/bou mdr[3] hn[33] 1.8 3.8     ;med, 13C data, overlap in 15n
def/bou hn[3] mb[29] 1.9 5.5      ;wk, 13C and 15N data
def/bou mdr[3] ha[29] 1.8 3.8     ;med 3-29,med-wk 29-3 13C data
def/bou mdr[3] ha[33] 1.8 3.8     ;med-wk 3-29, med-wk 29-3 150ms 13C data
def/bou mdr[3] hbr[33] 1.8 5.5    ;wk 3-29, 29-3 150ms 13C data
def/bou mdr[3] hbr[32] 1.8 5.5    ;3-32 med-wk, 32-3 wk 150ms 13C data
def/bou mdr[3] mds[32] 1.8 5.5    ;med 3-32, wk 32-3 150ms 13C data-confirm in 4D
;
;Ile5
def/bou mg2[5] hn[26] 1.8 5.5     ;wk 
def/bou mg2[5] ha[26] 1.8 3.8     ;med 13c data 5-26
def/bou mg2[5] mb[29] 1.8 5.5     ;wk 5-29, 13c data 
;Ile8
def/bou md1[8] ha[29] 1.8 3.2     ;strong-13C data
def/bou md1[8] mb[29] 1.8 3.2
;Val20
def/bou mgr[20] mb[24] 1.8 3.2    ;str 20-24, 24-20 13c data
def/bou mgr[20] hn[25] 1.8 5.5    ;wk 13c data
;Ile26
def/bou mg2[26] hn[30] 1.8 5.5    ;wk 13c data
;Thr27
def/bou mg2[27] md1[31] 1.8 3.2   ;str! 27-31, 31-27
;Leu28
def/bou hg[28] mdr[32] 1.8 3.8    ;med 28-32, 32-28 13c data
def/bou mdr[28] hn[32] 1.8 5.5    ;v wk 28-32 13c data
;Asp38
def/bou hbs[38] hr[67] 1.8 7.5    ;wk +2.5A
;Ile39
def/bou mg2[39] hn[64] 1.8 5.5    ;13c data, 15n data--mg2 xpk stonger than md1
def/bou mg2[39] ha[64] 1.8 3.8    ;med-wk
def/bou mg2[39] mb[63] 1.8 3.2    ;str 63-39, 39-63 ovrlap 13C data
def/bou md1[39] har[36] 1.8 5.5   ;wk 13c data, 39-36, 36-39 d2o data
def/bou ha[39] hr[67] 1.8 5.2     ;str+2.5A
def/bou mg2[39] hr[67] 1.8 7.5    ;wk+2.5A
def/bou hn[39] hr[67] 1.8 7.5     ;wk +2.5A
;
;Ala40
def/bou mb[40] hn[41] 1.8 5.0     ;weak-mod
;
;Glu42
def/bou hgs[42] hr[67] 1.8 5.8    ;def nochiral-med+2.5A
def/bou hbs[42] hr[67] 1.8 5.8    ;betas non-degenerate--med+2.5A
;
;Ala43
def/bou ha[43] mb[63] 1.8 3.8     ;med-str 55.79ovrlp,56.11resolved
def/bou mb[43] ha[60] 1.8 3.8     ;med-str 43-60,60-43, str 110ms d2o
def/bou mb[43] hn[60] 1.8 5.5     ;wk 150ms 13C, med-wk 200ms 15N
;
;Leu46
def/bou mdr[46] hn[63] 1.8 5.5    ;wk 46-63
def/bou mdr[46] hbr[62] 1.8 5.5   ;wk 46-62, hbs overlapped
;
;Ile60
def/bou md1[60] mb[43] 1.8 3.2    ;43-60 str, 60-43 str
def/bou md1[60] mb[63] 1.8 5.5    ;med-wk, ~4.5A in model
;
;Ala63
def/bou ha[63] hbs[42] 1.8 5.0    ;wk-hbr&hgs overlap
def/bou ha[63] hgs[42] 1.8 5.0    ;wk 110ms data-
def/bou ha[63] mdr[46] 1.8 3.2    ;str
def/bou mb[63] mdr[46] 1.8 3.2    ;str
def/bou mb[63] hbs[42] 1.8 3.8    ;med 150ms NOESY
def/bou mb[63] hgs[42] 1.8 5.5    ;med-wk, can't resolve hgs
def/bou mb[63] hn[43] 1.8 3.8     ;med
def/bou mb[63] mb[43] 1.8 3.2     ;str 63-43 and 43-63
;
;Val64
def/bou mgs[64] mg2[39] 1.8 3.2   ;64-39str 110ms, 39-64 overlap
def/bou mgs[64] md1[39] 1.8 3.8   ;64-39str, but wker than mg2
def/bou mgs[64] hr[67] 1.8 6.3    ;med to methyl+2.5A
def/bou ha[64] hr[67] 1.8 5.2     ;str+2.5A
;
;-------------------------------------------------
;
;      INTERMOLECULAR NOES
;
;----------------------------------------------------
;
;Ile11  methyls overlap with methyls of 12
def/bou mg2[11] ha[106] 1.8 3.2       ;11-106 13C,2d-xfilt
def/bou mg2[11] hn[106] 1.8 3.8       ;wk,11-106 13C,str 200ms 15N
def/bou mg2[11] has[105] 1.8 3.8      ;med 2d, 2d-xfilt
def/bou md1[11] ha[102] 1.8 3.8       ;med-2d,2d-xfilt--3d xfilt
def/bou md1[11] hbr[102] 1.8 5.5      ;med-wk 13C,102-11 and 11-102
;
;Ile12
def/bou ha[12] mb[109] 1.8 3.2        ;str 13C data,str 2d-xfilt
def/bou mg2[12] mb[109] 1.8 3.2       ;str 109-12,med-str 12-109,med 2d-xfilt
def/bou md1[12] mb[109] 1.8 3.2       ;str 109-12,12-109, med 2d-xfilt 
;Ala15
def/bou mb[15] md1[113] 1.8 3.2       ;15-44 and 44-15 13C data,2d-xfilt
def/bou mb[15] ha[110] 1.8 5.5        ;weak in 13C data,v wk in 2d-xfilt
def/bou mb[15] hn[110] 1.8 3.8        ;med-wk 13C data,overlap in 15N
;Ala17
def/bou mb[17] md1[113] 1.8 3.2       ;str 13C data, med-str 2d-xfilt
def/bou ha[17] md1[113] 1.8 3.8       ;ok-wk 110ms 13c data,wk 2d-xfilt-but                                       right next to water-appears str in model
;Ala24
def/bou ha[24] ha[126] 1.8 3.3        ;med-str 110ms, next to diag
def/bou ha[24] mb[126] 1.8 5.5        ;wk-med-110ms,150ms,wk 2d-xfilt
def/bou mb[24] ha[126] 1.8 5.5        ;ha 24&57 overlap,wk NOE in 2d-xfilt
def/bou mb[24] hn[126] 1.8 5.5        ;wk 150ms, model looks medium
def/bou mb[24] ha[125] 1.8 3.2        ;str 24-56a,56a-24 110ms, wk-med h2o data,2d-xfilt
def/bou mb[24] hn[125] 1.8 5.5        ;v. wk 150ms 13c data
;Thr27
def/bou mg2[27] ha[126] 1.8 5.5       ;wk
def/bou mg2[27] mb[126] 1.8 5.5       ;med-wk, next to diagonal-110ms,2d-xfilt
def/bou mg2[27] ha[130] 1.8 5.5       ;wk, 27-130,130-27 13C
def/bou mg2[27] hbr[130] 1.8 5.5      ;wk, 27-130,130-27 13C data
def/bou mg2[27] hgr[130] 1.8 3.8      ;med, 13C data--med,2d-xfilt
def/bou mg2[27] hn[130] 1.8 5.5       ;wk, 150ms carbon data
def/bou mg2[27] hb[129] 1.8 3.8       ;str 27-60, med 60-27 3dxfilt
def/bou mg2[27] mg2[129] 1.8 3.2      ;str, 27-60, 60-27, str,2d-xfilt
;Leu28
def/bou mds[28] md1[129] 1.8 3.8      ;med 28-60a, 60a-28, 13c data, 3d-xfilt
def/bou mdr[28] md1[108] 1.8 3.2      ;str 28-39a, 39a-28 13c data, 3d-xfilt
def/bou mdr[28] mg2[129] 1.8 3.8      ;med 28-60a, 60a-28 13c data, 28-60a 3d-xfilt 
;Ile31
;def/bou mg2[31] hb[133] 1.8 5.5
def/bou mg2[31] md1[108] 1.8 3.8      ;med 31-39,39-31 13c data, 3d-xfilt
def/bou mg2[31] mgs[133] 1.8 3.2      ;med-str--only sees mgs in 110ms d2o data
def/bou md1[31] mg2[129] 1.8 3.8
def/bou md1[31] ha[130] 1.8 5.5       ;med-wk 13c data & 3d-xfilt
;Leu32
def/bou mdr[32] md1[108] 1.8 3.8      ;med-wk (32-39), 13c and 3d xfilt data
def/bou mds[32] ha[101] 1.8 3.8       ;med in 3dxfilt
;Ile39
def/bou hb[39] mdr[97] 1.8 5.5        ;wk 39-28, 28-39 13c data and 3d xfilt 
;Ala40
def/bou mb[40] mb[84] 1.8 3.2         ;str 13C-near diag,str 2d-xfilt
;Ile44
def/bou md1[44] hn[85] 1.8 5.5       ;wk
def/bou md1[44] hn[86] 1.8 5.5       ;med-wk
def/bou hg1s[44] ha[86] 1.8 5.5      ;wk in 110ms data
;Lys56
def/bou ha[56] hn[93] 1.8 5.0        ;wk-2d only
;Ile60
def/bou hgr[60] mb[93] 1.8 3.8       ;med 60-24, med/wk 24-60--3d xfilt too
def/bou md1[60] mb[93] 1.8 3.8       ;med 24-60, 60-24 13C and 3d xfilt
def/bou md1[60] hn[97] 1.8 5.5       ;med 200ms 15n data, wk 150ms 13c data
;
;______________________________________
;
;       B-sheet
;______________________________________
def/bou ha[54] ha[89] 1.8 5.0        ;wk,13C-d2o data B-sheet
def/bou hn[55] ha[89] 1.8 5.0        ;overlapped w/55 ha med, wk in 15n data, 13c data
def/bou mg2[54] ha[89] 1.8 5.5       ;wk,13C-d2o B sheet
def/bou hb[55] ha[89] 1.8 3.3        ;med 55-20, wk 20-55 d2o
def/bou mg2[55] ha[89] 1.8 5.5       ;v. weak-110ms d2o data
;
;hn[20] ha[19] not observable--hn exch and ha under h2o
;
def/bou mg2[54] hn[90] 1.8 3.8       ;med-str-13C data-B-sheet
def/bou hn[55] hn[90] 1.8 5.0        ;wk-15n data-B-sheet
def/bou hb[55] hn[90] 1.8 5.0        ;wk 13c data, med-wk 15n data
def/bou ha[56] hn[90] 1.8 5.0        ;wk 2d only
def/bou mg2[54] ha[90] 1.8 5.5       ;wk 13c d2o data  54-21,21-54
def/bou mg2[54] hbr[90] 1.8 3.8      ;uf beta 21 stronger to mg2[54] than df,
;                                     med 110ms 13c d2o and med 3d-xfilt

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