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 |
|
|
593667 |
2n0q   |
25531 | cing | 1-original | 1 | STAR | unknown |
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
loop_
_Homonucl_NOE.Atom_ID_1
_Homonucl_NOE.Comp_ID_1
_Homonucl_NOE.Comp_index_ID_1
_Homonucl_NOE.Atom_ID_2
_Homonucl_NOE.Comp_index_ID_2
_Homonucl_NOE.Comp_index_ID_2
_Homonucl_NOE.Val
_Homonucl_NOE.Val_err
H1' CYT 1 H6 1 1 5.4038e+07 10
H1' CYT 1 H6 2 2 7.6838e+08 30
H2'1 CYT 1 H1' 1 1 1.5288e+08 10
H2'1 CYT 1 H3' 1 1 1.79164e+08 20
H2'1 CYT 1 H6 1 1 9.3996e+07 10
H2'2 CYT 1 H3' 1 1 7.33115e+07 20
H3' CYT 1 H1' 1 1 2.3293e+07 10
H3' CYT 1 H6 1 1 5.5602e+07 10
H3' CYT 1 H6 2 2 3.3687e+07 10
H5 CYT 1 H6 1 1 2.7802e+08 20
Q5 THY 2 H1' 1 1 1.6166e+07 10
Q5 THY 2 H2'2 1 1 9.84271e+07 10
Q5 THY 2 H3' 1 1 1.83717e+08 20
Q5 THY 2 H5 1 1 6.6692e+07 10
Q5 THY 2 H6 1 1 1.0393e+08 10
Q5 THY 2 H6 2 2 2.7253e+08 20
H1' THY 2 H6 2 2 4.4846e+07 10
H1' THY 2 H6 3 3 3.3318e+07 10
H2'1 THY 2 H1' 2 2 1.3054e+08 10
H2'1 THY 2 H3' 2 2 2.08581e+08 30
H2'1 THY 2 H5 3 3 5.8438e+07 20
H2'1 THY 2 H6 3 3 6.9991e+07 10
H2'2 THY 2 H1' 2 2 2.4329e+08 10
H2'2 THY 2 H3' 2 2 1.62971e+08 30
H2'2 THY 2 H6 3 3 1.4446e+08 20
H3' THY 2 H1' 2 2 3.1621e+07 10
H3' THY 2 H6 2 2 3.9492e+07 50
H4' THY 2 H1' 2 2 1.05391e+08 20
H5'1 THY 2 H1' 2 2 6.04598e+07 20
H1' CYT 3 H6 3 3 3.1739e+07 10
H1' CYT 3 H8 4 4 1.8977e+07 10
H2'1 CYT 3 H1' 2 2 1.2768e+07 10
H2'1 CYT 3 H1' 3 3 7.9255e+07 10
H2'1 CYT 3 H3' 3 3 7.95289e+06 20
H2'1 CYT 3 H5 3 3 5.7134e+07 10
H2'1 CYT 3 H6 3 3 2.1806e+08 20
H2'1 CYT 3 H8 4 4 4.0451e+07 10
H2'2 CYT 3 H1' 3 3 1.7192e+08 10
H2'2 CYT 3 H6 3 3 1.2142e+08 20
H2'2 CYT 3 H8 4 4 6.3125e+07 10
H3' CYT 3 H6 3 3 8.2185e+06 10
H5 CYT 3 H1' 2 2 1.7735e+07 10
H5 CYT 3 H6 3 3 1.8578e+08 30
H6 CYT 3 H8 4 4 9.0287e+06 10
H1' GUA 4 H8 4 4 2.4852e+07 10
H1' GUA 4 H4a 4 4 8.5764e+07 10
H1' GUA 4 H8 5 5 2.2828e+07 20
H2'1 GUA 4 H1' 4 4 8.1475e+07 10
H2'1 GUA 4 H8 4 4 2.8509e+08 20
H2'1 GUA 4 H8 5 5 1.3906e+07 10
H2'2 GUA 4 H1' 4 4 1.9476e+08 20
H2'2 GUA 4 H8 4 4 1.1595e+08 20
H3' GUA 4 H1' 4 4 1.9884e+07 10
H3' GUA 4 H8 4 4 4.7169e+07 10
H8a GUA 4 H7a 4 4 1.9308e+08 20
H8a GUA 4 H9a 4 4 1.9593e+08 20
H8a GUA 4 H6 20 20 3.3554e+07 20
H8a GUA 4 H8 22 22 1.4911e+07 10
H2'1 GUA 4 H4a 4 4 3.33977e+06 10
H2'1 GUA 4 H3' 4 4 1.83477e+08 20
Q13 GUA 4 H1' 4 4 3.6593e+07 10
Q13 GUA 4 H4a 4 4 1.70743e+08 10
Q13 GUA 4 H1' 5 5 5.6477e+06 10
Q13 GUA 4 H8 5 5 1.77044e+07 10
H1' GUA 5 H8 5 5 2.6206e+07 10
H2'1 GUA 5 H1' 5 5 7.9918e+07 50
H2'1 GUA 5 H8 5 5 1.8112e+08 50
H2'1 GUA 5 H5 6 6 2.845e+07 10
H2'2 GUA 5 H1' 5 5 1.42e+08 50
H2'2 GUA 5 H5 6 6 4.5156e+07 10
H3' GUA 5 H1' 5 5 2.4164e+07 20
H3' GUA 5 H8 5 5 2.5981e+07 10
H3' GUA 5 H6 6 6 7.5309e+06 30
H1' CYT 6 H8 7 7 2.4029e+07 50
H2'1 CYT 6 H1' 6 6 6.3558e+07 30
H2'1 CYT 6 H5 6 6 2.8035e+07 10
H2'1 CYT 6 H6 6 6 2.2572e+08 50
H2'1 CYT 6 H8 7 7 4.5083e+07 30
H2'2 CYT 6 H1' 6 6 1.6882e+08 50
H3' CYT 6 H6 6 6 5.7562e+06 30
H5 CYT 6 H1' 5 5 1.0796e+07 10
H5 CYT 6 H8 5 5 1.7008e+07 10
H6 CYT 6 H8 5 5 8.01409e+06 10
H1' GUA 7 H6 8 8 4.2578e+07 30
H2'1 GUA 7 H5 8 8 3.2499e+07 20
H2'1 GUA 7 H6 8 8 4.921e+07 40
H2'2 GUA 7 H5 8 8 5.1184e+07 20
H2'2 GUA 7 H6 8 8 1.0025e+08 40
H3' GUA 7 H6 8 8 5.3139e+06 10
H1' CYT 8 H6 8 8 2.2178e+08 30
H1' CYT 8 H6 9 9 2.5627e+07 10
H2'1 CYT 8 H1' 8 8 1.0688e+08 10
H2'1 CYT 8 H3' 8 8 1.43129e+08 30
H2'1 CYT 8 H5 8 8 3.5469e+07 10
H2'1 CYT 8 H6 8 8 2.752e+08 30
H2'1 CYT 8 H5 9 9 4.0296e+07 40
H2'2 CYT 8 H1' 8 8 2.6115e+08 10
H2'2 CYT 8 H3' 8 8 8.94475e+07 30
H2'2 CYT 8 H5 8 8 6.8316e+06 10
H2'2 CYT 8 H6 8 8 1.1257e+08 30
H2'2 CYT 8 H5 9 9 3.82e+07 30
H3' CYT 8 H1' 8 8 1.5843e+07 10
H3' CYT 8 H6 8 8 2.4821e+07 10
H3' CYT 8 H6 9 9 7.672e+06 10
H5 CYT 8 H1' 7 7 1.9333e+07 30
H5 CYT 8 H8 7 7 2.148e+07 40
H5 CYT 8 H6 8 8 2.1156e+08 20
H6 CYT 8 H8 7 7 1.7574e+07 20
H1' CYT 9 H6 9 9 3.5013e+07 10
H1' CYT 9 H8 10 10 4.0131e+07 10
H2'1 CYT 9 H1' 9 9 8.6403e+07 10
H2'1 CYT 9 H5 9 9 3.2435e+07 10
H2'1 CYT 9 H6 9 9 2.6953e+08 30
H2'1 CYT 9 H8 10 10 2.7768e+07 10
H2'2 CYT 9 H1' 9 9 2.19e+08 10
H2'2 CYT 9 H8 10 10 6.1131e+07 10
H5 CYT 9 H6 8 8 3.3318e+07 20
H5 CYT 9 H6 9 9 2.1207e+08 20
H6 CYT 9 H8 10 10 6.86508e+06 10
H1' ADE 10 H6 11 11 4.2134e+07 10
H2'1 ADE 10 H1' 10 10 1.28435e+08 50
H2'1 ADE 10 H6 11 11 7.7456e+07 40
H2'2 ADE 10 H3' 10 10 1.34266e+08 40
H2'2 ADE 10 H6 11 11 1.1912e+08 10
H3' ADE 10 H1' 10 10 3.5364e+07 50
H3' ADE 10 H8 10 10 2.0444e+07 50
Q5 THY 11 H2'1 10 10 7.93702e+07 10
Q5 THY 11 H2'2 10 10 7.17158e+07 10
Q5 THY 11 H3' 10 10 3.11231e+07 10
Q5 THY 11 H8 10 10 1.1073e+08 10
Q5 THY 11 H6 11 11 2.0457e+08 20
Q5 THY 11 H5 12 12 1.7696e+07 10
Q5 THY 11 H1' 10 10 2.0935e+07 10
H1' THY 11 H6 11 11 3.6334e+07 10
H2'1 THY 11 H1' 11 11 1.2685e+08 10
H2'1 THY 11 H6 11 11 2.5505e+08 50
H2'1 THY 11 H5 12 12 3.4834e+07 10
H2'1 THY 11 H6 12 12 5.8708e+07 10
H2'2 THY 11 H6 11 11 9.7369e+07 20
H2'2 THY 11 H5 12 12 3.5204e+07 20
H2'2 THY 11 H6 12 12 8.3074e+07 30
H6 THY 11 H8 10 10 1.20851e+07 10
H1' CYT 12 H6 12 12 5.1644e+07 10
H3' CYT 12 H1' 12 12 2.1397e+07 10
H5 CYT 12 H1' 11 11 1.7999e+07 10
H5 CYT 12 H6 11 11 2.2828e+07 10
H5 CYT 12 H6 12 12 2.1101e+08 20
H1' GUA 13 H8 13 13 4.8705e+07 10
H1' GUA 13 H8 14 14 5.3105e+07 10
H2'1 GUA 13 H1' 13 13 8.6424e+07 20
H2'2 GUA 13 H1' 13 13 2.1937e+08 30
H2'2 GUA 13 H8 13 13 1.1349e+08 30
H1' ADE 14 H6 15 15 3.7429e+07 10
H2'1 ADE 14 H1' 14 14 1.03591e+08 50
H2'1 ADE 14 H6 15 15 6.3417e+07 30
H2'2 ADE 14 H3' 14 14 1.44938e+08 40
H2'2 ADE 14 H6 15 15 1.0724e+08 10
H3' ADE 14 H1' 14 14 3.7387e+07 50
H3' ADE 14 H8 14 14 4.2497e+07 50
Q5 THY 15 H1' 14 14 2.8676e+07 10
Q5 THY 15 H2'1 14 14 1.00169e+08 10
Q5 THY 15 H2'2 14 14 9.49857e+07 10
Q5 THY 15 H3' 14 14 2.32225e+07 10
Q5 THY 15 H8 14 14 1.108e+08 10
Q5 THY 15 H6 15 15 2.3777e+08 20
H1' THY 15 H6 15 15 3.2095e+07 10
H1' THY 15 H8 16 16 1.7694e+07 10
H2'1 THY 15 H1' 15 15 9.2093e+07 10
H2'1 THY 15 H6 15 15 2.0497e+08 10
H2'1 THY 15 H8 16 16 4.4003e+07 10
H2'2 THY 15 H1' 15 15 2.1537e+08 20
H2'2 THY 15 H6 15 15 7.4284e+07 10
H2'2 THY 15 H8 16 16 6.4488e+07 10
H6 THY 15 H8 14 14 1.2019e+07 10
H6 THY 15 H8 16 16 7.43469e+06 10
H1' GUA 16 H8 16 16 3.9319e+07 10
H1' GUA 16 H8 17 17 7.6982e+07 10
H2'1 GUA 16 H8 16 16 3.0796e+08 50
H2'2 GUA 16 H1' 16 16 2.2569e+08 30
H2'2 GUA 16 H8 16 16 1.3446e+08 50
H3' GUA 16 H1' 16 16 4.3259e+07 20
H3' GUA 16 H8 16 16 2.9914e+07 10
H1' GUA 17 H8 17 17 1.0177e+08 20
H1' GUA 17 H6 18 18 4.51983e+07 50
H2'1 GUA 17 H1' 17 17 1.3485e+08 50
H2'1 GUA 17 H8 17 17 2.52604e+08 40
H2'1 GUA 17 H5 18 18 2.8522e+07 10
H2'2 GUA 17 H5 18 18 5.7587e+07 10
H3' GUA 17 H8 17 17 4.3081e+07 50
H1' CYT 18 H8 19 19 2.8398e+07 50
H2'1 CYT 18 H1' 18 18 1.0543e+08 20
H2'1 CYT 18 H3' 18 18 1.237e+08 30
H2'1 CYT 18 H5 18 18 3.3694e+07 10
H2'1 CYT 18 H6 18 18 2.4406e+08 50
H2'1 CYT 18 H8 19 19 6.4553e+07 10
H2'2 CYT 18 H1' 18 18 2.6396e+08 50
H2'2 CYT 18 H3' 18 18 8.66297e+07 30
H2'2 CYT 18 H5 18 18 8.0715e+06 10
H3' CYT 18 H1' 18 18 1.2619e+07 10
H3' CYT 18 H6 18 18 1.32e+07 10
H3' CYT 18 H8 19 19 5.8417e+06 10
H5 CYT 18 H1' 17 17 2.3969e+07 10
H5 CYT 18 H8 17 17 2.0256e+07 20
H6 CYT 18 H8 17 17 1.70188e+07 10
H6 CYT 18 H8 19 19 2.55107e+07 20
H1' GUA 19 H6 20 20 4.8529e+07 10
H2'1 GUA 19 H5 20 20 3.2712e+07 10
H2'1 GUA 19 H6 20 20 5.0235e+07 10
H2'2 GUA 19 H5 20 20 4.189e+07 10
H2'2 GUA 19 H6 20 20 1.0584e+08 30
H1' CYT 20 H8a 4 4 2.9681e+07 10
H1' CYT 20 H6 20 20 3.9066e+07 10
H1' CYT 20 H5 21 21 5.8217e+07 20
H1' CYT 20 H6 21 21 3.3011e+07 10
H2'1 CYT 20 H7a 4 4 1.1224e+07 10
H2'1 CYT 20 H8a 4 4 3.6546e+07 10
H2'1 CYT 20 H1' 20 20 1.1957e+08 20
H2'1 CYT 20 H3' 20 20 1.64251e+08 20
H2'1 CYT 20 H5 20 20 2.805e+07 10
H2'1 CYT 20 H6 20 20 1.9381e+08 10
H2'1 CYT 20 H6 21 21 1.3774e+07 10
H2'2 CYT 20 H7a 4 4 1.2466e+07 10
H2'2 CYT 20 H8a 4 4 4.5205e+07 20
H2'2 CYT 20 H6 20 20 7.4138e+07 10
H2'2 CYT 20 H5 21 21 1.3476e+07 20
H2'2 CYT 20 H6 21 21 2.4142e+07 40
H3' CYT 20 H5 21 21 4.6641e+07 40
H3' CYT 20 H6 21 21 7.4033e+07 10
H5 CYT 20 H7a 4 4 2.2774e+07 10
H5 CYT 20 H1' 19 19 1.5689e+07 30
H5 CYT 20 H8 19 19 2.6154e+07 40
H5 CYT 20 H6 20 20 1.7879e+08 20
H6 CYT 20 H7a 4 4 1.5671e+07 10
H6 CYT 20 H8 19 19 1.523e+07 10
H1' CYT 21 H7a 4 4 2.0786e+07 10
H1' CYT 21 H8a 4 4 4.0089e+07 10
H1' CYT 21 H6 21 21 3.0155e+07 10
H1' CYT 21 H8 22 22 3.1564e+07 10
H2'1 CYT 21 H8a 4 4 8.6571e+06 20
H2'1 CYT 21 H1' 21 21 7.7577e+07 10
H2'1 CYT 21 H3' 21 21 1.81969e+08 20
H2'1 CYT 21 H5 21 21 1.8453e+07 20
H2'1 CYT 21 H6 21 21 2.2958e+08 40
H2'2 CYT 21 H8a 4 4 7.1723e+06 10
H2'2 CYT 21 H1' 21 21 1.5946e+08 10
H2'2 CYT 21 H3' 21 21 1.13379e+08 50
H2'2 CYT 21 H6 21 21 1.1502e+08 30
H2'2 CYT 21 H8 22 22 9.72151e+06 10
H3' CYT 21 H1' 21 21 1.4751e+07 10
H3' CYT 21 H6 21 21 3.3254e+07 10
H3' CYT 21 H8 22 22 6.0687e+06 10
H4' CYT 21 H8a 4 4 1.635e+07 10
H4' CYT 21 H1' 21 21 3.3726e+07 10
H4' CYT 21 H6 21 21 1.068e+07 10
H5 CYT 21 H6 21 21 1.665e+08 20
H5'1 CYT 21 H8a 4 4 4.2734e+06 10
H5'1 CYT 21 H1' 21 21 3.5533e+07 10
H5'1 CYT 21 H6 21 21 4.1092e+07 10
H5'2 CYT 21 H8a 4 4 3.8551e+06 10
H5'2 CYT 21 H6 21 21 2.1469e+07 10
H1' GUA 22 H9a 4 4 1.5095e+07 30
H1' GUA 22 H8 22 22 2.5642e+07 10
H1' GUA 22 H8 23 23 2.7607e+07 10
H2'1 GUA 22 H1' 22 22 1.0781e+08 10
H2'1 GUA 22 H3' 22 22 1.74652e+08 20
H2'1 GUA 22 H8 23 23 6.02e+07 10
H2'2 GUA 22 H1' 22 22 2.0903e+08 10
H2'2 GUA 22 H3' 22 22 1.2044e+08 30
H2'2 GUA 22 H8 23 23 1.1012e+08 10
H3' GUA 22 H1' 22 22 1.7189e+07 10
H3' GUA 22 H8 23 23 1.663e+07 10
H1' ADE 23 H8 23 23 4.0091e+07 10
H2'1 ADE 23 H1' 23 23 1.6056e+08 10
H2'1 ADE 23 H8 23 23 3.2928e+08 30
H2'1 ADE 23 H8 24 24 6.6851e+07 10
H2'2 GUA 4 H4a 4 4 1.18956e+07 10
H2'2 ADE 23 H1' 23 23 2.6147e+08 10
H2'2 ADE 23 H3' 23 23 1.62889e+08 30
H2'2 ADE 23 H8 23 23 1.4591e+08 20
H2'2 ADE 23 H8 24 24 9.9397e+07 10
H3' ADE 23 H8 23 23 4.0891e+07 10
H3' ADE 23 H8 24 24 1.0851e+07 10
H2'1 GUA 24 H1' 24 24 3.5632e+08 20
H2'1 GUA 24 H3' 24 24 1.3202e+08 40
H2'2 GUA 24 H1' 24 24 1.605e+08 40
H2'2 GUA 24 H3' 24 24 2.02526e+08 20
H2'2 GUA 24 H8 24 24 2.5609e+08 40
H3' GUA 24 H1' 24 24 4.0193e+07 10
H3' GUA 24 H8 24 24 4.6801e+07 50
H8 GUA 24 H8 23 23 2.16069e+07 10
stop_
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