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
567587 2m99 19287 cing 1-original 3 DYANA/DIANA distance NOE simple


#cal9 refine3 refine6
#15 PHE QD   11 ALA QB   6.00
#15 PHE QD   53 ARG HG3  0.00
33 PHE QD   11 ALA QB   6.00
#33 PHE QD   53 ARG HG3  0.00

# peak 488 1553 1836 1553 1552 change to ambigious
 11 ALA  QB     33 PHE  QE      5.03
 11 ALA  QB     35 TYR  QD      0.00

 11 ALA  HA     33 PHE  QE      5.50
 11 ALA  HA     35 TYR  QD      0.00

 11 ALA  H      33 PHE  QE      5.35
 11 ALA  H      35 TYR  QD      0.00

 33 PHE  QE     35 TYR  HA      5.50
 35 TYR  QD     35 TYR  HA      0.00

 20 SER  HB3    33 PHE  QE      5.50
 20 SER  HB3    35 TYR  QD      0.00

 33 PHE  QE     34 THR  QG2     5.50 #4.73
 35 TYR  QD     34 THR  QG2     0.00

 33 PHE  QE     35 TYR  H       5.50
 35 TYR  QD     35 TYR  H       0.00


#cal10
42 ALA QB    4 PHE QE   6.00 #peak 1658
42 ALA QB    4 PHE HZ   0.00
42 ALA QB    7 LEU H    0.00
42 ALA QB    4 PHE QD   6.00 #peak 1483

#it should be 2 PRO HB2, but not stereo assigned
#therefore set einfach 2 PRO QB
 2 PRO QB    4 PHE QE   6.00
 2 PRO QB    4 PHE HZ   0.00
 2 PRO QB    7 LEU H    0.00
 2 PRO QB    4 PHE QD   6.00

#cal12
 7 LEU QD2   4 PHE QD   7.00
 7 LEU QD2  33 PHE HZ   0.00 
 
 7 LEU QD2  23 TYR QD   7.00
 7 LEU QD2  17 PHE QE   0.00
 7 LEU QD2   4 PHE H    0.00
 
 7 LEU QD2   4 PHE HZ   7.00
 7 LEU QD2   4 PHE QE   0.00
 7 LEU QD2   7 LEU H    0.00

#cal13 these constraints used in cal13
# 9 PRO HB2  51 CYSS H   7.00
# 9 PRO HB2  22 TYR QD   0.00
# 9 PRO HB2  33 PHE QD   7.00
# 9 PRO HB2  33 PHE QE   7.00
 
# 9 PRO HB3  51 CYSS H   7.00
# 9 PRO HB3  22 TYR QD   0.00
# 9 PRO HB3  33 PHE QD   7.00
# 9 PRO HB3  33 PHE QE   7.00

# 9 PRO QG   51 CYSS H   7.00
# 9 PRO QG   22 TYR QD   0.00
   
#cal14
25 GLN HE21  6 GLU HB3  6.00
25 GLN HE21 56 VAL HB   0.00
#25 GLN HE21  6 GLU QG   0.00

25 GLN HE22  6 GLU HB3  6.00
25 GLN HE22 56 VAL HB   0.00
#25 GLN HE22  6 GLU QG   0.00

25 GLN HE21  6 GLU HB2  6.00
25 GLN HE22  6 GLU HB2  6.00

#cal15
#43 ASN HD22  7 LEU HB3  6.00
#43 ASN HD22 46 ARG HG3  0.00

#cal16
#43 ASN HD22  7 LEU HB3  6.00
#43 ASN HD22 46 ARG HG3  0.00

#cal17
54 THR QG2    4 PHE QE   6.00 
54 THR QG2    4 PHE HZ   0.00
#54 THR QG2    7 LEU H    0.00
54 THR QG2    4 PHE QD   6.00 

#cal19
# 9 PRO HB2  51 CYSS H   7.00
 9 PRO HB2  22 TYR QD   6.00
 9 PRO HB2  33 PHE QD   6.00
 9 PRO HB2  33 PHE QE   6.00
 
# 9 PRO HB3  51 CYSS H   7.00
 9 PRO HB3  22 TYR QD   6.00
# 9 PRO HB3  33 PHE QD   6.00 #21
 9 PRO HB3  33 PHE QE   6.00

# 9 PRO QG   51 CYSS H   7.00
 9 PRO QG   22 TYR QD   6.00

#cal23
#17 PHE QD  34 THR QG2  6.00
#33 PHE QD  34 THR QG2  0.00

25 GLN HE21  23 TYR QD 6.00
25 GLN HE21  17 PHE QE 0.00

#cal24 
12 GLY H  12 GLY QA   6.00
12 GLY H  39 GLY HA2  0.00

12 GLY H  39 GLY HA3  6.00

10 SER H  40 GLY HA2  6.00

#cal26
17 PHE QD  34 THR QG2  6.00
33 PHE QD  34 THR QG2  6.00
17 PHE QD  34 THR HA  6.00
33 PHE QD  34 THR HA  6.00

#1468 
11 ALA  H      39 GLY  HA3   6.00
11 ALA  H      13 SER  HA    0.00
11 ALA  H      36 SER  HA    0.00
11 ALA  H      37 GLY  QA    0.00
11 ALA  H      38 CYSS HA    0.00

11 ALA  H      40 GLY  HA2   6.00
11 ALA  H      13 SER  HA    0.00
11 ALA  H      36 SER  HA    0.00
11 ALA  H      37 GLY  QA    0.00
11 ALA  H      38 CYSS HA    0.00

11 ALA  H      40 GLY  HA3   6.00
11 ALA  H      13 SER  HA    0.00
11 ALA  H      36 SER  HA    0.00
11 ALA  H      37 GLY  QA    0.00
11 ALA  H      38 CYSS HA    0.00

11 ALA  H      39 GLY  HA2   6.00 
11 ALA  H      13 SER  HA    0.00
11 ALA  H      36 SER  HA    0.00
11 ALA  H      37 GLY  QA    0.00
11 ALA  H      38 CYSS HA    0.00


11 ALA  HA      39 GLY  HA2   6.00
11 ALA  HA      13 SER  HA    0.00
11 ALA  HA      36 SER  HA    0.00
11 ALA  HA      37 GLY  QA    0.00
11 ALA  HA      38 CYSS HA    0.00
35 TYR  HA      39 GLY  HA2   0.00
35 TYR  HA      13 SER  HA    0.00
35 TYR  HA      36 SER  HA    0.00
35 TYR  HA      37 GLY  QA    0.00
35 TYR  HA      38 CYSS HA    0.00

11 ALA  HA      40 GLY  HA3   6.00
11 ALA  HA      13 SER  HA    0.00
11 ALA  HA      36 SER  HA    0.00
11 ALA  HA      37 GLY  QA    0.00
11 ALA  HA      38 CYSS HA    0.00
35 TYR  HA      40 GLY  HA3   0.00
35 TYR  HA      13 SER  HA    0.00
35 TYR  HA      36 SER  HA    0.00
35 TYR  HA      37 GLY  QA    0.00
35 TYR  HA      38 CYSS HA    0.00

12 GLY  H       40 GLY  H    6.00
12 GLY  H       13 SER  H    0.00
12 GLY  H       36 SER  H    0.00
12 GLY  H       37 GLY  H    0.00
12 GLY  H       38 CYSS H    0.00
12 GLY  H       14 CYSS H    0.00

12 GLY  H      40 GLY  HA2   6.00
12 GLY  H      13 SER  HA    0.00
12 GLY  H      36 SER  HA    0.00
12 GLY  H      37 GLY  QA    0.00
12 GLY  H      38 CYSS HA    0.00

12 GLY  H      40 GLY  HA3   6.00
12 GLY  H      13 SER  HA    0.00
12 GLY  H      36 SER  HA    0.00
12 GLY  H      37 GLY  QA    0.00
12 GLY  H      38 CYSS HA    0.00



10 SER  HA      40 GLY  H    6.00
10 SER  HA      13 SER  H    0.00
10 SER  HA      36 SER  H    0.00
10 SER  HA      37 GLY  H    0.00
10 SER  HA      38 CYSS H    0.00
10 SER  HA      14 CYSS H    0.00

10 SER  H      40 GLY  HA2   6.00
10 SER  H      13 SER  HA    0.00
10 SER  H      36 SER  HA    0.00
10 SER  H      37 GLY  QA    0.00
10 SER  H      38 CYSS HA    0.00

10 SER  H      40 GLY  HA3   6.00
10 SER  H      13 SER  HA    0.00
10 SER  H      36 SER  HA    0.00
10 SER  H      37 GLY  QA    0.00
10 SER  H      38 CYSS HA    0.00


10 SER  HB3      39 GLY  HA3   6.00
10 SER  HB3      13 SER  HA    0.00
10 SER  HB3      36 SER  HA    0.00
10 SER  HB3      37 GLY  QA    0.00
10 SER  HB3      38 CYSS HA    0.00

10 SER  HB3      40 GLY  H    6.00
10 SER  HB3      13 SER  H    0.00
10 SER  HB3      36 SER  H    0.00
10 SER  HB3      37 GLY  H    0.00
10 SER  HB3      38 CYSS H    0.00
10 SER  HB3      14 CYSS H    0.00













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