BMRB

NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
619524 5u9b RC 30210 cing 1-original 5 DYANA/DIANA distance NOE simple


# Restraints file 5: ramptnt6d_Dec12.upl
#############################
# Intermolecular NOE's
#############################

9 ARG+ QD 102 RU H2' 4.2
9 ARG+ QD 102 RU H3' 5.5
9 ARG+ QD 102 RU H4' 5.5
9 ARG+ QD 102 RU H1' 4.7 #4.2 SP 11/13/2012
9 ARG+ QD 102 RU H5  4.0 # 5.62ppm
9 ARG+ QD 102 RU H6  4.2 # 7.3ppm
9 ARG+ QG 102 RU H1' 5.0
9 ARG+ QG 102 RU H5  5.5 #5.0 SP 11/13/2012
9 ARG+ QG 102 RU H6  5.0
9 ARG+ HE 102 RU H2' 4.0
9 ARG+ HE 102 RU H3' 4.5

#SP 10/31/2012
9 ARG+ QB 102 RU H5 5.0
9 ARG+ QB 102 RU H1' 5.0
11 THR QG2 102 RU H5 5.0
11 THR QG2 101 RC H5 5.0

13 TRP HE1 102 RU O2'  2.60 #2.50 SP 11/13/2012
13 TRP NE1 102 RU O2'  3.50

13 TRP HE1 102 RU H1'  3.50 # 7/19 by sangho
13 TRP HH2 103 RU H1' 4.50 # 5.93ppm, c=63.4
13 TRP HH2 102 RU H1' 4.50 # 5.62ppm, c=63.4
13 TRP HZ2 103 RU H6  5.00 # 7.83 c=82.6
13 TRP HZ2 103 RU H5  5.50 # 5.93 c=82.6
13 TRP HZ2 102 RU H1' 4.50 # 7/19 by sangho
13 TRP HZ2 103 RU H1' 4.50 # 7/19 by sangho

# 13 TRP HH2 102 RU H1' 5.00 # 5.62 c=82.6 # 7/19 by sangho
#SP 10/31/2012
# 13 TRP HH2 103 RU H2' 5.0 #2/2/2015rm
13 TRP HH2 103 RU H6 5.0

14 LEU QD1 102 RU H6  4.20 # 7.3 c=54.7,84.7
14 LEU QD1 102 RU H1' 4.20 # 5.93 c=54.7,84.7
14 LEU QD1 102 RU H5  4.20 # 5.62 c=54.7,84.7
14 LEU QD1 101 RC H5  4.20 # 6.02 c=54.7,84.7 
14 LEU QD1 101 RC H2' 5.00 # 3.93 c=54.7,84.7 
14 LEU QD2 102 RU H1' 5.50 # 5.93 c=82.7
#14 LEU QD2 102 RU H5  5.50 # 5.62 c=82.7 07202015rm

#SP 10/31/2012
14 LEU QD2 101 RC H2' 5.00
51 ILE QG2 101 RC H5 5.0

54 PHE HD1 101 RC H1' 5.00 # 6.18 c=71.75 
54 PHE HD1 101 RC H2' 4.50 # 3.93 c=71.75 
54 PHE HB2 101 RC H1' 5.00 # 6.18 c=67.48 
54 PHE HB2 101 RC H2' 4.00 # 3.92 c=67.48

#SP 10/31/2012
54 PHE HB2 101 RC H3' 5.00 

55 ASP H 101 RC O2 2.5 #3.0 SP 4/09/2012 #2.5 SP 4/0#6/2012
52 ALA O 101 RC N4 3.1

54 PHE H 101 RC N3 2.1 
54 PHE N 101 RC N3 3.1 

#SP 10/31/2012
63 ARG+ QG 100 RG H1' 5.00

67 LYS QE 100 RG H8  3.50 # 8.0  
67 LYS QE 100 RG H2' 4.20 # 4.8 
#67 LYS QE 100 RG H8  4.0 # 8.03 #SP re-intro 10/31/2012 SP 11/8/12

#68 TYR HD1 100 RG H1' 6.00 #5.89, 71.45 very weak
68 TYR HE1 100 RG H8  5.50 # 8.03
68 TYR HE2 100 RG H8  3.50 # 8.03 #5.5 SP 11/8/12
68 TYR HE2 100 RG H2' 3.50 # 4.79 m #5.5 SP 11/8/12
68 TYR HE2 101 RC H1' 5.50 # 56.5,6.18 m 
68 TYR HE2 101 RC H6  5.00 # 56.5 OK #re-intro SP 11/8/12
#68 TYR HE2 101 RC H5  4.00 # 56.5,6.00  
#68 TYR HE2 100 RG H1' 5.00 # 5.87 
#The above two peaks are at the diagonal (TYR QE=5.97), so they might be noise. about 90% sure 

#SP 10/31/2012
#68 TYR QD 101 RC H2'  5.0 #SP 11/2/2012
#68 TYR QD 100 RG H3'  6.0 #07152015rm #5.5 11/9/2012 #5.0 SP 11/2/2012, deleted 11/5/2012
68 TYR QD 101 RC H1'  5.5 #5.0 1/23/2015 SP
68 TYR QE 100 RG H1'  5.0
68 TYR QE 100 RG H2'  5.0
68 TYR QE 101 RC H5   5.0

44 GLN QB  99 RC H5  5.0 # 5.80 c=59.4  
46 GLU QB  99 RC H5  5.0 # 5.8, 1.73 on ffnoesy by Jane 1/13/2015

87 LEU QD1 103 RU H6  4.20 #7.83 c=55
87 LEU QD1 104 RU H6  4.20 #7.75 c=55
87 LEU QD1 103 RU H5  4.20 #5.93 c=55
87 LEU QD1 104 RU H5  4.20 #5.82 c=55
87 LEU QD1 103 RU H1' 4.20 #5.62 c=55
87 LEU QD1 103 RU H2' 3.50 #4.11 c=55
87 LEU QD1 103 RU H3' 3.50 #4.50 c=55
87 LEU QD1 104 RU H3' 5.00 #4.31 c=83
87 LEU QD1 104 RU H5' 5.00 #3.90 c=83
87 LEU QD2 103 RU H6  5.00 #7.83 c=83 good
87 LEU QD2 103 RU H5  4.00 #5.93 c=83 good
87 LEU QD2 104 RU H5  4.00 #5.82 c=83 
87 LEU QD2 103 RU H1' 4.20 #5.62 c=83 good
87 LEU QD2 103 RU H2' 3.00 #4.11 c=83 good, v strong peak
87 LEU QD2 103 RU H3' 4.20 #4.50 c=83 good
87 LEU QD2 104 RU H3' 5.00 #4.31 c=83
#87 LEU QD2 104 RU H5'' 5.00 #4.01 c=83 not 100% sure about this assignment

84 ARG QD  104 RU H5  4.5 #5.82 c=73.23
84 ARG QD  104 RU H3' 5.5 #5.93 c=73.23 
84 ARG HA  104 RU H5  5.0 #5.83 c=58.2 good
84 ARG QB  104 RU H5  5.0 #5.83 c=59.8 good
84 ARG QG  104 RU H5  5.0 #5.83 c=57.6 good

#15 THR N   98  RU H2' 10.00
#15 THR N   99  RC H2' 10.00
#17 GLU N   97  RC H2' 10.00
#17 GLU N   98  RU H2' 10.00
#47 ASN N   97  RC H2' 10.00
#47 ASN N   98  RU H2' 10.00
#47 ASN N   99  RC H2' 10.00

#19 CYSZ N  95  RG H2' 10.00
#19 CYSZ N  96  RU H2' 10.00
#20 ARG N   95  RG H2' 10.00
#20 ARG N   96  RU H2' 10.00
#22 PHE N   95  RG H2' 10.00
#22 PHE N   96  RU H2' 10.00
#35 LYS N   95  RG H2' 10.00
#35 LYS N   96  RU H2' 10.00
#36 PHE N   95  RG H2' 10.00
#36 PHE N   96  RU H2' 10.00

#27 CYS N   95  RG H2' 15.00
#28 SER N   95  RG H2' 15.00
#29 ARG N   95  RG H2' 15.00


#AMBIGUOUS RESTRAINTS
#AMBIG N3O2 = N3 101 O2 101
#54 PHE H 0 AMB N3O2 2.1 
#54 PHE N 0 AMB N3O2 3.1 

#AMBIG K67Y68 = H 67 H 68
#0 AMB K67Y68 100 RG O6  2.60