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
3498 1dsq cing 1-original 8 DYANA/DIANA distance NOE simple


# PRO 29
 29  PRO HD3      38 GLY  HN     5.00
 29  PRO HD3      39 HIS  HN     5.00   

# VAL 30
 30  VAL HN       29 PRO  QB     3.90
 30  VAL HA       30 VAL  QG1    3.80
 30  VAL HA       30 VAL  QG2    3.80
 30  VAL HN       30 VAL  QG1    3.80
 30  VAL HN       30 VAL  HB     2.70
 30  VAL QG2      31 CYS- HN     3.80
 30  VAL QG2      35 GLY  HN     5.50
 30  VAL QG2      35 GLY  HA1    5.50
 30  VAL QG2      36 LYS+ HN     5.50
 30  VAL QG2      37 THR  QG2    5.50
 30  VAL QG2      37 THR  HA     5.50
 30  VAL HA       37 THR  HA     2.70 #ASSUMED (APPEARS TO OVERLAP W/ HOA PEAK)
 30  VAL HA       38 GLY  HN     5.00
 30  VAL HN       40 ILE  QG2    5.50 #POSSIBLY AN UNRELIABLE PEAK

# CYS- 31
 31  CYS- HN      31 CYS- HB2    2.70
 31  CYS- HN      31 CYS- HB3    2.70
 31  CYS- HA      31 CYS- HB2    3.30
 31  CYS- HA      33 SER  HN     5.00
 31  CYS- HB3     34 CYS- HN     3.30
 31  CYS- HB3     35 GLY  HN     3.30
 31  CYS- HN      35 GLY  HA1    5.00
 31  CYS- HB3     36 LYS+ HN     3.30 
 31  CYS- HN      37 THR  HA     3.30
 31  CYS- HN      37 THR  QG2    5.50
 31  CYS- HN      38 GLY  HN     5.00
 31  CYS- HN      39 HIS  HN     5.00
 31  CYS- HB2     39 HIS  HD2    5.00 #was 3.30 in p7
 31  CYS- HA      41 LYS+ HN     3.30 #was 5.00 in p7
 
# PHE 32
#32  PHE  HN      32 PHE  HB2    2.70 NON-FUNCTIONAL               
 32  PHE  HN      41 LYS+ QB     3.30
 32  PHE  HN      41 LYS+ HN     5.00   
#32  PHE  HB3     33 SER  HN     3.30 NON-FUNCTIONAL
#32  PHE  HB2     33 SER  HN     3.30 NON-FUNCTIONAL

# SER 33
#33  SER  HN      33 SER  HB2    2.70 #COULD BE HB3, NON-FUNCTIONAL
#33  SER  HB3     34 CYS- HN     2.70 #COULD BE HB2, NON-FUNCTIONAL
 33  SER  HN      35 GLY  HN     3.30
 33  SER  HN      41 LYS+ QB     3.90
 
# CYS- 34
 34  CYS- HN      34 CYS- HB3    3.30
 34  CYS- HA      34 CYS- HB2    3.30
 34  CYS- HA      34 CYS- HB3    3.30
 34  CYS- HA      36 LYS+ HN     5.00
 34  CYS- HN      36 LYS+ HN     5.00
 34  CYS- HB2     35 GLY  HN     5.00
 34  CYS- HB3     35 GLY  HN     5.00
 34  CYS- HA      36 LYS+ HN     5.00
 34  CYS- HB2     36 LYS+ HN     5.00
 34  CYS- HB3     36 LYS+ HN     5.00
 

# GLY 35
 35  GLY  HN      35 GLY  HA1    2.70
#35  GLY  HN      35 GLY  HA2    2.70 SPIN DIFFUSION
 
# LYS 36
#36  LYS+ HN      36 LYS+ QB     3.20 NON-FUNCTIONAL
 36  LYS+ HA      37 THR  QG2    3.80
#36  LYS+ QB     37 THR  HN      3.20 NON-FUNCTIONAL  
 36  LYS+ HB3     39 HIS  HE1    3.30  

# THR 37
 37  THR  HN      37 THR  QG2    3.80
 37  THR  HN      37 THR  HB     5.00
 37  THR  HA      39 HIS  HN     5.00

# GLY 38
 38  GLY  HN      38 GLY  HA1    3.30  #CHECK IF ITS HA2

# HIS 39
 39  HIS  HN      39 HIS  QB     3.90
 39  HIS  HD2     39 HIS  QB     3.90
 39  HIS  QB      40 ILE  HN     3.30
#39  HIS  HD2     40 ILE  HN     3.30 SPIN DIFFUSION THRU 39 QB
 39  HIS  HD2     43 ASP- HN     5.00 #LOOKS MEDIUM (SPIN DIFFUSION)
 39  HIS  QB      43 ASP- HN     5.60
 39  HIS  HD2     44 CYSZ HA     3.30
 39  HIS  HD2     44 CYSZ HB2    3.30
 39  HIS  HD2     44 CYSZ HN     3.30 
 
# ILE 40
 40  ILE  HN      40 ILE  QD1    3.20 
#40  ILE  HB      41 LYS+ HN     3.30 UNRELIABLE, SAME SHIFT AS 41 BETA
 40  ILE  QG2     41 LYS+ HN     3.80
 40  ILE  QG2     42 ARG+ HN     3.80
 40  ILE  HN      43 ASP- HB3    3.30
 40  ILE  QG2     43 ASP- HN     3.80
 40  ILE  HB      43 ASP- HN     5.00
#40  ILE  HN      44 CYSZ HB3    3.30 NOT SURE WHAT THIS NOE IS????
 

# LYS 41
#41  LYS+ HN      41 LYS+ QB     3.30 NON-FUNCTIONAL

# ARG 42
#42  ARG+ HN      42 ARG+ HB2    3.30 #MAY BE HB3  NON-FUNCTIONAL
#42  ARG+ HB3     43 ASP- HN     3.30 #MAY BE HB2  NON-FUNCTIONAL
 42  ARG+ HA      44 CYSZ HN     5.00

# ASP 43
 43  ASP- HN      43 ASP- HB2    2.70 
 43  ASP- HB3     44 CYSZ HN     5.00 
#43  ASP- HN      44 CYSZ HB2    5.00 DOESN'T SEEM RIGHT
   
# CYSZ 44
 44  CYSZ HN      44 CYSZ HB2    2.70
 44  CYSZ HN      44 CYSZ HB3    2.70
 44  CYSZ HA      44 CYSZ HB2    2.70
 44  CYSZ HB2     45 LYS+ HN     5.00
 44  CYSZ HA      46 GLU- HN     5.00

# LYS+ 45
 45  LYS+ HN      45 LYS+ QB     3.90
 
# GLU- 46
 46  GLU- HG2     47 GLU- HN     3.30

# GLU- 47



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