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
3511 1dsv cing 1-original 8 DYANA/DIANA distance NOE simple


# GLY 56
#56 GLY  HN       56 GLY  HA2    2.70 #CHECK STEREO OF G56
#56 GLY  HA2      57 LEU  HN     3.30 SPIN DIFFUSION
#56 GLY  HN       65 TYR  QE     5.50 NOT SURE WHERE THIS CAME FROM, NOT 3DNOE

# LEU 57
 57 LEU  HA       57 LEU  QD1    3.80
 57 LEU  HA       57 LEU  HG     3.30
 57 LEU  QD1      58 CYS- HN     3.30
 57 LEU  QD1      64 GLY  HN     3.20
 57 LEU  HA       65 TYR  HA     2.70
 57 LEU  QD1      65 TYR  QE     3.90
 57 LEU  HN       65 TYR  QD     5.50
 57 LEU  HN       65 TYR  QE     5.50
 57 LEU  HB2      65 TYR  QD     3.80
#57 LEU  HA       66 HIS  HA     5.00 LIKELY SPIN DIFF.
#57 LEU  QD2      66 HIS  HN     5.50 CHECK AGAIN
#57 LEU  HA       67 TRP  HN     5.00 LIKELY SPIN DIFF.

# CYS 58
 58 CYS- HN       58 CYS- HB2    2.70
 58 CYS- HN       58 CYS- HB3    2.70
 58 CYS- HA       59 PRO  HD2    2.70
 58 CYS- HA       59 PRO  HD3    2.70
 58 CYS- HA       60 ARG+ HN     5.00
 58 CYS- HB3      60 ARG+ HN     5.00 #APPEARS MED B/C SD
 58 CYS- HA       61 CYS- HN     5.00
 58 CYS- HB3      61 CYS- HN     5.00
 58 CYS- HN       62 LYS+ HA     5.00
#58 CYS- HN       63 LYS+ HN     5.00 SPIN DIFFUSION
 58 CYS- HB3      63 LYS+ HN     5.00
 58 CYS- HN       64 GLY  HN     5.00
 58 CYS- HB2      64 GLY  HN     5.00
 58 CYS- HB3      64 GLY  HN     5.00
 58 CYS- HN       65 TYR  HA     3.30
 58 CYS- HB2      66 HIS  HN     3.30
 58 CYS- HN       66 HIS  HN     3.30
 58 CYS- HB3      66 HIS  HD2    5.00
 58 CYS- HB2      66 HIS  HD2    2.70
 58 CYS- HB2      66 HIS  HE1    5.00
 58 CYS- HA       66 HIS  HD2    5.00
 58 CYS- HA       67 TRP  HA     5.00
 58 CYS- HA       68 LYS+ HN     5.00

# PRO 59
 59 PRO  QB       60 ARG+ HN     5.50
 59 PRO  HA       62 LYS+ HN     5.00
 59 PRO  QD       60 ARG+ HN     3.80

# ARG 60
 60 ARG+ HN       60 ARG+ HB2    2.70
#60 ARG+ HN       61 CYS- HB3    5.00 Spin Diffusion
#60 ARG+ HN       61 CYS- HA     5.00 NOT SURE
 60 ARG+ HN       62 LYS+ HN     5.00
 60 ARG+ HB2      61 CYS- HN     2.70
  
# CYS 61
 61 CYS- HN       61 CYS- HB3    2.70
 61 CYS- HA       61 CYS- HB2    2.70
 61 CYS- HA       61 CYS- HB3    2.70
 61 CYS- HN       63 LYS+ HN     5.00
 61 CYS- HB2      73 SER  HB3    5.00
 61 CYS- HB2      73 SER  HB2    5.00
 61 CYS- HA       76 ASP- HB2    3.30
 61 CYS- HA       76 ASP- HB3    3.30
 61 CYS- HB3      76 ASP- HA     3.30
 61 CYS- HB2      76 ASP- HA     3.30
 61 CYS- HA       76 ASP- HA     2.70
 61 CYS- HB2      82 LEU  QD2    3.80
 
# LYS 62
 62 LYS+ HN       64 GLY  HN     5.00

# LYS 63
#63 LYS+ HB3      64 GLY  HN     3.30 NON-FUNCTIONAL
 63 LYS+ HN       66 HIS  HE1    5.00
 
# GLY 64
 64 GLY  HA2      65 TYR  HN     3.30
 64 GLY  HN       66 HIS  HE1    5.00

# TYR 65
 65 TYR  HN       65 TYR  HB2    3.30
 65 TYR  HB3      65 TYR  QD     3.30
 65 TYR  HB2      66 HIS  HN     5.00
 65 TYR  HB3      66 HIS  HN     5.00

# HIS 66
 66 HIS  HE1      63 LYS+ HB2    5.00
#66 HIS  HN       66 HIS  QB     4.10 UNSURE
 66 HIS  HD2      66 HIS  HA     5.00
 66 HIS  HN       66 HIS  HD2    5.00
 66 HIS  QB       67 TRP  HN     3.20   
 66 HIS  HD2      67 TRP  HN     5.00
 66 HIS  HD2      70 GLU- HN     5.00
 66 HIS  QB       70 GLU- HN     5.50
 66 HIS  HD2      71 CYSZ HA     3.30
 66 HIS  HD2      71 CYSZ HB2    2.70
 66 HIS  HD2      71 CYSZ HN     3.30

# TRP 67
 67 TRP  HN       67 TRP  HB2    3.30
 67 TRP  HN       67 TRP  HD1    2.70
 67 TRP  HE3      68 LYS+ HN     3.30
 67 TRP  HB3      68 LYS+ HN     3.30
 67 TRP  HB3      69 SER  HN     3.30
 67 TRP  HN       70 GLU- QB     4.10
 67 TRP  HN       70 GLU- QG     4.10
 67 TRP  HB3      70 GLU- HN     3.30

# LYS 68
 68 LYS+ HN       68 LYS+ QB     3.90
 68 LYS+ HA       71 CYSZ HN     5.00 

# SER 69
 69 SER  HB3      69 SER  HN     2.70
 69 SER  HB2      70 GLU- HN     5.00
 69 SER  HN       70 GLU- QB     5.50
 69 SER  HN       70 GLU- QG     5.50
 69 SER  HA       71 CYSZ HN     5.00
 69 SER  HN       71 CYSZ HN     5.00

# GLU 70
 70 GLU- HN       70 GLU- QG     4.10
 70 GLU- HN       70 GLU- QB     4.10
 
# CYSZ 71
 71 CYSZ HN       71 CYSZ HB2    2.70
 71 CYSZ HN       71 CYSZ HB3    2.70
 71 CYSZ HA       71 CYSZ HB2    2.70
 71 CYSZ HB2      72 LYS+ HN     5.00
 71 CYSZ HB3      72 LYS+ HN     5.00
 71 CYSZ HA       73 SER  HN     3.30

# LYS 72
 
# SER 73
 73 SER  HN       73 SER  HB2    2.70
#73 SER  HA       75 PHE  HN     3.30 Doesn't align, NOE could be from 74 HA???
 73 SER  HB3      75 PHE  HN     3.30
 73 SER  HN       82 LEU  QD2    5.50
 73 SER  HB2      82 LEU  QD2    5.50

# LYS 74

# PHE 75
 75 PHE  HN       75 PHE  HB2    2.70
# 75 PHE  HN       75 PHE  HD1    5.00 correct Dan's restraint for pseudoatom
 75 PHE  HN       75 PHE  QD    7.3
 75 PHE  HB3      76 ASP- HN     5.00  
#75 PHE  HA       79 GLY  HN     5.00 LIKELY SPIN DIFF.
 75 PHE  HA       80 ASN  HN     5.00
 75 PHE  HA       81 PRO  HA     2.70
 75 PHE  QD       81 PRO  HA     5.00
#75 PHE  QE       81 PRO  QB     3.30 NOT SURE
 75 PHE  HN       82 LEU  QD2    3.80
 75 PHE  HA       82 LEU  HN     3.30

# ASP 76
 76 ASP- HN       76 ASP- HB3    3.30
 76 ASP- HB2      77 LYS+ HN     2.70
#76 ASP- HA       78 ASP- HN     5.00 Unreliable peak, overlap
 76 ASP- HN       79 GLY  HA1    5.00 #Maybe doesn't line up
 76 ASP- HN       79 GLY  HN     5.00
#76 ASP- HN       80 ASN  HA     5.00 LIKELY S.D.
 76 ASP- HA       80 ASN  HN     5.00
 76 ASP- HN       80 ASN  HN     3.30 #HARD TO TELL, OVERLAP
 76 ASP- HN       81 PRO  HA     5.00 #APPEARS MEDIUM, SD
 76 ASP- HN       82 LEU  QD2    3.80
 76 ASP- HN       82 LEU  HN     5.00

# LYS 77
#77 LYS+ HN       77 LYS+ HB2    2.70 NON-FUNCTIONAL
 77 LYS+ HA       79 GLY  HN     5.00
#77 LYS+ HA       80 ASN  HN     5.00 Very weak, spin diff

# ASP 78
 78 ASP- HN       78 ASP- HB3    3.30
 78 ASP- HN       79 GLY  HA1    5.00 #Maybe doesn't line up???
 78 ASP- HB3      79 GLY  HN     5.00
 78 ASP- HN       80 ASN  HN     5.00 #appears medium SD

# GLY 79
#79 GLY  HN       80 ASN  HA     5.00 NOT SURE

# ASN 80
 80 ASN  HN       80 ASN  HB2    2.70 
 80 ASN  HA       81 PRO  HD2    2.70
 80 ASN  HA       81 PRO  HD3    2.70

# PRO 81
 
# LEU 82
 82 LEU  HN       82 LEU  HB2    2.70
 82 LEU  HA       82 LEU  QD1    3.20
 82 LEU  HA       83 PRO  HD2    3.30
 82 LEU  HA       83 PRO  HD3    3.30

# LEU  85
# 85 LEU  HN       84 PRO  HA     2.70
# 85 LEU  HN       85 LEU  QB     3.50
# 85 LEU  HN       85 LEU  QQD    4.10 

# GLU- 86
# 86 GLU- HN       85 LEU  QQD    4.10 
# 86 GLU- HN       86 GLU- HB2    3.30
# 86 GLU- HN       86 GLU- HB3    3.30
# 86 GLU- HN       85 LEU  QB     4.10 
# 86 GLU- HN       85 LEU  HA     2.70
 
# THR 87
# 87 THR  HN       87 THR  HB     5.00 
# 87 THR  HN       86 GLU- HB2    5.00
# 87 THR  HN       86 GLU- HB3    5.00 
# 87 THR  HN       87 THR  QG2    5.00 
# 87 THR  HN       85 LEU  QB     5.00
 
# ALA 89
# 89 ALA  HN       89 ALA  QB     4.10

# GLU- 90
# 90 GLU- HN       89 ALA  QB     4.10
# 90 GLU- HN       90 GLU- QG     4.10
# 90 GLU- HN       90 GLU- HB3    2.70



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