NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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11019 |
1qrj   |
4311 | cing | 1-original | 7 | DYANA/DIANA | distance | NOE | simple |
#------------ Main Chain ---------------------------- 52 ALA HA 52 ALA HN 5.5 # 52 ALA HA 53 LYS+ HN 5.5 # 52 ALA HN 53 LYS+ HN 2.9 # 52 ALA HN 54 ASP- HN 5.0 # 52 ALA HN 55 LEU HN 5.5 # vw 52 ALA HA 55 LEU HN 5.0 # #52 ALA HA 55 LEU HB 3.3 # BETAS OF 55 ARE PROBABLY MISASSINGED 52 ALA HA 56 GLN HN 5.0 # #------------ Side Chain ---------------------------- 52 ALA HA 55 LEU QD1 3.30 1.00E+00 #< #52 ALA HA 55 LEU QD2 5.00 1.00E+00 #> #52 ALA QB 55 LEU HG 5.50 1.00E+00 #sd #52 ALA QB 55 LEU QD1 5.50 1.00E+00 #sdviaha 52 ALA HN 53 LYS+ QD 5.5 #3d #------------ Main Chain ---------------------------- 53 LYS+ HA 53 LYS+ HN 5.0 # 53 LYS+ HA 54 ASP- HN 5.0 # 53 LYS+ HN 54 ASP- HN 2.9 # 53 LYS+ HN 55 LEU HN 5.0 # 53 LYS+ HN 56 GLN HN 5.5 # vw 53 LYS+ HA 56 GLN HN 5.0 # 53 LYS+ HA 56 GLN QB 3.3 # 53 LYS+ HA 57 ASP- HN 5.0 # #------------ Side Chain ---------------------------- 53 LYS+ HA 56 GLN QG 3.8 #sdqb 53 LYS+ QG 56 GLN QG 5.5 # #------------ Main Chain ---------------------------- 54 ASP- HA 54 ASP- HN 5.0 # 54 ASP- HN 55 LEU HN 2.9 # 54 ASP- HA 55 LEU HN 5.0 # med 54 ASP- HN 56 GLN HN 5.0 # 54 ASP- HN 57 ASP- HN 5.5 #sd 54 ASP- HA 57 ASP- HN 5.0 # 54 ASP- HA 57 ASP- HB2 5.0 # WEAK 54 ASP- HA 57 ASP- HB3 5.0 # WEAK 54 ASP- HA 58 LEU HN 5.0 # #------------ Side Chain ---------------------------- #54 ASP- HB2 55 LEU QD2 5.5 #> 54 ASP- HB3 55 LEU QD2 5.5 #< #------------ Main Chain ---------------------------- 55 LEU HA 55 LEU HN 5.0 # 55 LEU HA 55 LEU QD1 5.5 #> 55 LEU HA 55 LEU QD2 3.3 #< #55 LEU HN 55 LEU QD1 5.5 #> 55 LEU HN 55 LEU QD2 3.8 #< #55 LEU HA 56 GLN HN # NONE # 55 LEU HN 56 GLN HN 2.9 # 55 LEU HN 57 ASP- HN 5.0 # 55 LEU HN 58 LEU HN 5.0 # 55 LEU HA 58 LEU HN 5.0 # 55 LEU HA 58 LEU HB2 5.0 # WEAK 55 LEU HA 58 LEU HB3 5.0 # WEAK 55 LEU HA 58 LEU QD2 3.3 #< #55 LEU HA 59 LEU HN 5.0 # not present #------Side Chain (AIss=>qd1=0.42/26;qd2=-0.55/20.8)---- #55 LEU QD1 58 LEU QD2 5.50 1.00E+00 #>sd 55 LEU QD2 58 LEU QD2 3.30 1.00E+00 #< #------------ Main Chain ---------------------------- 56 GLN HA 56 GLN HN 5.0 # #56 GLN HA 57 ASP- HN 5.0 # 56 GLN HN 57 ASP- HN 2.9 # 56 GLN HN 58 LEU HN 5.0 # 56 GLN HN 59 LEU HN 5.0 # 56 GLN HA 59 LEU HN 5.5 #sd #56 GLN HA 59 LEU HB 3.3 # not present 56 GLN HA 60 GLN HN 5.0 # #------------ Side Chain ---------------------------- 56 GLN HE22 60 GLN QG 5.0 # 56 GLN HE22 59 LEU QD2 5.0 # #------------ Main Chain ---------------------------- 57 ASP- HA 57 ASP- HN 3.3 # #57 ASP- HA 58 LEU HN 5.0 # 57 ASP- HN 58 LEU HN 2.9 # 57 ASP- HN 59 LEU HN 5.0 # 57 ASP- HN 60 GLN HN 5.0 # 57 ASP- HA 60 GLN HN 5.0 # 57 ASP- HA 60 GLN QB 3.3 # 57 ASP- HA 61 TYR HN 5.0 # #------------ Side Chain ---------------------------- #------------ Main Chain ---------------------------- 58 LEU HA 58 LEU HN 3.3 # #58 LEU HA 58 LEU QD2 3.8 #> 58 LEU HA 58 LEU QD1 3.3 #< #58 LEU HA 59 LEU HN 5.0 # 58 LEU HN 59 LEU HN 2.9 # 58 LEU HN 60 GLN HN 5.0 # 58 LEU HN 61 TYR HN 5.5 # vw 58 LEU HA 61 TYR HN 5.0 # 58 LEU HA 61 TYR HB2 5.0 # VW 58 LEU HA 61 TYR HB3 5.0 # VW 58 LEU HA 62 LEU HN 5.0 # #----Side Chain (REss=>qd1=0.96/24.3;qd2=0.66/25.7)-------- 58 LEU QD1 61 TYR HD1 3.3 #o 58 LEU QD1 61 TYR HE1 5.5 #o,vw #58 LEU QD2 61 TYR HE1 5.5 #o,vw 58 LEU QD2 117 TRP HH2 5.0 #>vw #58 LEU QD1 117 TRP HH2 5.5 #< 58 LEU QD2 117 TRP HZ2 5.0 #>vw #58 LEU QD1 117 TRP HZ2 5.5 #< 58 LEU QD2 117 TRP HZ3 5.50 #< #58 LEU QD1 62 LEU HA 5.5 #sd 58 LEU QD1 62 LEU HB3 5.5 #o 58 LEU QD1 62 LEU HG 5.0 #o 58 LEU QD1 62 LEU QD1 3.3 #o/over #------------ Main Chain ---------------------------- 59 LEU HA 59 LEU HN 3.3 # #59 LEU HN 59 LEU QD2 5.5 #> #59 LEU HN 59 LEU QD1 3.8 #59 LEU HA 59 LEU QD1 3.3 #< #59 LEU HA 60 GLN HN 5.0 # 59 LEU HN 60 GLN HN 2.9 # 59 LEU HN 61 TYR HN 5.0 # 59 LEU HN 62 LEU HN 5.0 # 59 LEU HA 62 LEU HN 5.0 # #59 LEU HA 62 LEU HB 3.3 # not present 59 LEU HA 63 CYS HN 5.0 # added new #--------Side Chain (REss=>qd1=0.56/24.4;qd2=1.03/27.5)---- 59 LEU QD2 60 GLN HN 5.50 1.00E+00 # #@ 59 LEU QD1 60 GLN HN 5.50 1.00E+00 # #@ #59 LEU QD1 62 LEU HN 5.50 1.00E+00 #sdhn63 #59 LEU QD1 63 CYS HA 5.5 #sd 59 LEU QD1 63 CYS HN 5.00 1.00E+00 # #@ # 59 LEU QD2 63 CYS HN 5.00 1.00E+00 # #@ 59 LEU QD1 63 CYS QB 5.00 1.00E+00 # #@ #------------ Main Chain ---------------------------- 60 GLN HA 60 GLN HN 3.3 # 60 GLN HN 61 TYR HN 2.9 # 60 GLN HA 61 TYR HN 5.0 60 GLN HN 62 LEU HN 5.0 # 60 GLN HN 63 CYS HN 5.5 # over 60 GLN HA 63 CYS HN 5.0 # added new #60 GLN HA 63 CYS QB #notpresent #------------ Side Chain ---------------------------- #------------ Main Chain ---------------------------- 61 TYR HA 61 TYR HN 3.3 # 61 TYR HN 62 LEU HN 2.9 # 61 TYR HA 62 LEU HN 5.0 # #61 TYR HA 63 CYS HN 5.0 # not present! 61 TYR HN 63 CYS HN 5.00 1.00E+00 # #@ #------------ Side Chain ---------------------------- 61 TYR HA 61 TYR HD1 2.70 1.00E+00 # ### 61 TYR HA 61 TYR HE1 3.30 1.00E+00 # ### #61 TYR HA 62 LEU QD1 5.50 1.00E+00 # ###s,d #61 TYR HA 62 LEU QD2 5.50 1.00E+00 # ###s,d 61 TYR HB2 61 TYR HD1 3.30 1.00E+00 # ### #61 TYR HB2 62 LEU QD1 5.50 1.00E+00 # ###sd 61 TYR HB3 61 TYR HD1 3.30 1.00E+00 # ### #61 TYR HB3 62 LEU QD1 5.50 1.00E+00 # ###sd #61 TYR HB3 62 LEU QD2 5.50 1.00E+00 # ###sd 61 TYR HD1 62 LEU QD1 5.00 1.00E+00 # ### 61 TYR HD1 62 LEU QD2 3.30 1.00E+00 # ### #61 TYR HE1 62 LEU HA 5.50 1.00E+00 # ###sd 61 TYR HE1 62 LEU QD1 5.50 1.00E+00 # ### 61 TYR HE1 62 LEU QD2 3.30 1.00E+00 # ### 61 TYR HN 61 TYR HD1 3.30 1.00E+00 #3d #61 TYR HN 62 LEU QD1 5.50 1.00E+00 #sd #61 TYR HN 62 LEU QD2 5.50 1.00E+00 #sd 61 TYR HD1 62 LEU HN 5.50 1.00E+00 # ### #------------ Main Chain ---------------------------- 62 LEU HA 62 LEU HN 5.0 # 62 LEU HA 63 CYS HN 5.50 1.00E+00 62 LEU HN 63 CYS HN 2.90 1.00E+00 # #from 3.3 #--------Side Chain (AIss=>qd1=0.89/26.2;qd2=0.91/22.8)---- 62 LEU HB2 63 CYS HN 3.30 1.00E+00 #< 62 LEU HB3 63 CYS HN 5.00 1.00E+00 #> ################################################ #~~~~~~~~~~~~~LOOP-III (63-64)~~~~~~~~~~~ ################################################ #------------ Main Chain ---------------------------- 63 CYS HA 63 CYS HN 3.3 # 63 CYS HA 64 SER HN 3.3 # 63 CYS HN 64 SER HN 5.00 1.00E+00 # #@ #63 CYS HN 68 ALA QB 5.50 1.00E+00 #sdviaqb # 63 CYS HN 69 SER QB 5.50 1.00E+00 # noise #------------ Side Chain ---------------------------- 63 CYS HA 67 VAL HB 5.50 1.00E+00 #vw 63 CYS QB 67 VAL HB 5.00 1.00E+00 # #@ #63 CYS QB 67 VAL QG2 5.50 1.00E+00 # #@> 63 CYS QB 67 VAL QG1 5.00 1.00E+00 # #@< #63 CYS HA 67 VAL QG2 5.50 1.00E+00 # #@> 63 CYS HA 67 VAL QG1 5.00 1.00E+00 # #@< #63 CYS HN 67 VAL QG2 5.50 1.00E+00 #vw> 63 CYS HN 67 VAL QG1 5.00 1.00E+00 #w< #63 CYS HA 68 ALA QB 5.50#sdviaqb 63 CYS QB 68 ALA QB 5.50 #------------ Main Chain ---------------------------- 64 SER HA 64 SER HN 3.3 # 64 SER HA 65 SER HN 3.30 1.00E+00 # #@ #64 SER HN 65 SER HN #ov, but seems weak 64 SER HN 67 VAL QG2 5.00 1.00E+00 #< 64 SER HN 67 VAL QG1 5.00 1.00E+00 #> 64 SER HN 68 ALA QB 5.50 1.00E+00 # #@
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