NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type | subtype | subsubtype |
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2287 |
1bnb   |
cing | recoord | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!----------------------------------------- ! Gly 1 (Ala) Mutated to an alanine for technical reasons! ! peak 3.99 - 3.60 -P2d ! Distance= 2.53 0.73 0.25 ! peak 3.99 - 3.33 -P2d assign (resid 1 and name HA) (resid 2 and name HD*) 2.51 0.71 0.25 !----------------------------------------- ! Pro 2 !----------------------------------------- ! Leu 3 ! peak 8.47 - 4.35 -P2a assign (resid 3 and name HN) (resid 2 and name HA) 2.40 0.60 0.24 !----------------------------------------- ! Ser 4 ! peak 8.24 - 4.33 -L3a assign (resid 4 and name HN) (resid 3 and name HA) 2.69 0.89 0.27 !----------------------------------------- ! Cys 5 ! peak 8.27 - 4.23 -S4a assign (resid 5 and name HN) (resid 4 and name HA) 2.42 0.62 0.24 ! peak 8.27 - 3.91 -S4b assign (resid 5 and name HN) (resid 4 and name HB*) 3.22 1.42 0.32 !----------------------------------------- ! Gly 6 ! peak 8.36 - 2.70 weak -C5b assign (resid 6 and name HN) (resid 5 and name HB*) 2.92 1.12 0.29 ! peak 8.36 - 8.03 medium -R7NH assign (resid 6 and name HN) (resid 7 and name HN) 3.24 1.44 0.32 !----------------------------------------- ! Arg 7 ! peak 8.03 - 4.03 -G6A* ! Distance= 3.32 1.52 0.33 ! *** This interaction covered by next constraint. ! peak 8.03 - 3.91 medium -G6A* assign (resid 7 and name HN) (resid 6 and name HA*) 2.76 0.96 0.28 ! peak 8.02 - 7.53 medium -N8NH assign (resid 7 and name HN) (resid 8 and name HN) 2.60 0.80 0.26 !----------------------------------------- ! Asn 8 ! peak 7.54 - 4.15 -R7a assign (resid 8 and name HN) (resid 7 and name HA) 3.22 1.42 0.32 ! peak 7.54 - 1.86 -R7b assign (resid 8 and name HN) (resid 7 and name HB*) 5.10 3.30 0.00 ! peak 7.54 - 3.18 -R7d assign (resid 8 and name HN) (resid 7 and name HD*) 3.44 1.64 0.34 ! peak 2.77 - 0.54 -I24d assign (resid 8 and name HB1) (resid 24 and name HD*) 2.58 0.78 0.52 ! peak 2.58 - 0.54 -I24d assign (resid 8 and name HB2) (resid 24 and name HD*) 2.54 0.74 0.50 !----------------------------------------- ! Gly 9 ! peak 7.88 - 4.04 weak -G6A* assign (resid 9 and name HN) (resid 6 and name HA*) 3.23 1.43 0.32 ! peak 7.88 - 7.53 medium -N8HN assign (resid 9 and name HN) (resid 8 and name HN) 2.38 0.58 0.24 ! peak 7.88 - 0.51 weak -I24d !----------------------------------------- ! Gly 10 ! peak 8.07 - 4.14 weak -G9A* ! Distance= 3.30 1.50 0.33 ! *** This interaction covered by next constraint. ! peak 8.07 - 3.90 weak -G9A* assign (resid 10 and name HN) (resid 9 and name HA*) 2.89 1.09 0.29 ! peak 8.07 - 4.03 weak -G6A* assign (resid 10 and name HN) (resid 6 and name HA*) 3.07 1.27 0.31 ! peak 8.07 - 7.87 strong -G9HN assign (resid 10 and name HN) (resid 9 and name HN) 2.34 0.54 0.23 ! peak 4.61 - 2.36 -R36hd* assign (resid 10 and name HA*) (resid 36 and name HD*) 2.75 0.95 0.28 !----------------------------------------- ! Val 11 ! peak 8.82 - 3.23 -G10A* ! peak 8.82 - 4.57 -G10A* assign (resid 11 and name HN) (resid 10 and name HA*) 2.68 0.88 0.27 ! peak 8.82 - 0.51 -I24d assign (resid 11 and name HN) (resid 24 and name HD*) 3.02 1.22 0.60 ! peak 8.82 - 4.96 -C34ha assign (resid 11 and name HN) (resid 34 and name HA) 5.10 3.30 0.00 ! peak 4.36 - 2.70 -C5HB* assign (resid 11 and name HA) (resid 5 and name HB*) 2.54 0.74 0.25 ! peak 4.36 - 3.06 -C5HB* ! Distance= 2.83 1.03 0.28 !----------------------------------------- ! Cys 12 ! peak 8.64 - 4.37 -V11a assign (resid 12 and name HN) (resid 11 and name HA) 2.17 0.34 0.22 ! peak 8.64 - 1.89 -V11b assign (resid 12 and name HN) (resid 11 and name HB) 2.74 0.94 0.27 ! peak 2.73 - 0.81 -V32gS assign (resid 12 and name HB1) (resid 32 and name HG1*) 2.32 0.52 0.46 ! peak 5.46 - 4.98 -C34a assign (resid 12 and name HA) (resid 34 and name HA) 2.45 0.65 0.24 ! peak 5.46 - 0.80 -V32gS assign (resid 12 and name HA) (resid 32 and name HG1*) 2.89 1.09 0.58 !----------------------------------------- ! Ile 13 ! peak 9.48 - 5.43 -C12a assign (resid 13 and name HN) (resid 12 and name HA) 2.16 0.36 0.22 ! peak 9.48 - 2.71 -C12b assign (resid 13 and name HN) (resid 12 and name HB1) 5.10 3.30 0.00 ! peak 9.48 - 8.40 -K33HN assign (resid 13 and name HN) (resid 33 and name HN) 5.10 3.30 0.00 ! peak 4.65 - 3.88 -P14d assign (resid 13 and name HA) (resid 14 and name HD*) 2.23 0.43 0.22 ! peak 4.65 - 3.74 -P14d ! Distance= 2.43 0.63 0.24 ! *** This interaction covered in previous constraint. !----------------------------------------- ! Pro 14 ! peak 4.47 - 4.22 strong -V32a assign (resid 14 and name HA) (resid 32 and name HA) 2.25 0.45 0.23 ! peak 4.46 - 0.90 -V32gR assign (resid 14 and name HA) (resid 32 and name HG2*) 2.57 0.77 0.52 ! peak 4.46 - 0.81 -V32gS assign (resid 14 and name HA) (resid 32 and name HG1*) 2.58 0.78 0.52 ! peak 3.88 - 1.08 weak -I13HG2 ! Distance= 2.66 0.86 0.27 ! *** This interaction covered by the next constraint. ! peak 3.73 - 1.08 weak -I13HG2 assign (resid 14 and name HD*) (resid 13 and name HG2*) 2.53 0.73 0.50 !----------------------------------------- ! Ile 15 ! peak 8.71 - 4.44 -P14a assign (resid 15 and name HN) (resid 14 and name HA) 2.20 0.40 0.22 ! peak 8.71 - 2.45 -P14b assign (resid 15 and name HN) (resid 14 and name HB*) 3.87 2.07 0.39 ! peak 8.71 - 4.21 -V32a assign (resid 15 and name HN) (resid 32 and name HA) 2.77 0.97 0.28 ! peak 8.71 - 0.89 -V32gR assign (resid 15 and name HN) (resid 32 and name HG2*) 5.10 3.30 0.00 !----------------------------------------- ! Arg 16 ! peak 9.25 - 3.23 -I15a assign (resid 16 and name HN) (resid 15 and name HA) 5.10 3.30 0.00 ! peak 9.25 - 2.48 -I15b assign (resid 16 and name HN) (resid 15 and name HB*) 2.49 0.69 0.25 ! peak 9.25 - 0.82 -I15g2 assign (resid 16 and name HN) (resid 15 and name HG2*) 3.04 1.24 0.60 !----------------------------------------- ! Cys 17 ! peak 9.01 - 4.46 -R16a assign (resid 17 and name HN) (resid 16 and name HA) 2.21 0.41 0.22 ! peak 9.01 - 1.80 -R16b ! Distance= 3.32 1.52 0.33 ! peak 9.01 - 1.69 -R16b assign (resid 17 and name HN) (resid 16 and name HB*) 2.91 1.11 0.29 ! peak 9.01 - 1.30 -R16g assign (resid 17 and name HN) (resid 16 and name HG*) 3.19 1.39 0.32 ! peak 4.99 - 3.97 -P18d assign (resid 17 and name HA) (resid 18 and name HD*) 2.24 0.44 0.22 ! peak 4.99 - 3.67 -P18d ! Distance= 2.37 0.57 0.24 ! peak 4.99 - 1.83 -I13b assign (resid 17 and name HA) (resid 13 and name HB*) 2.84 1.04 0.28 ! peak 4.99 - 1.08 -I13g2 assign (resid 17 and name HA) (resid 13 and name HG2*) 2.98 1.18 0.60 ! peak 4.99 - 0.74 -I13d assign (resid 17 and name HA) (resid 13 and name HD*) 2.93 1.13 0.58 !----------------------------------------- ! Pro 18 ! peak 3.96 - 1.08 -I13g2 assign (resid 18 and name HD*) (resid 13 and name HG2*) 2.55 0.75 0.52 ! peak 3.96 - 0.75 -I13d assign (resid 18 and name HD*) (resid 13 and name HD*) 2.50 0.70 0.50 !----------------------------------------- ! Val 19 ! peak 8.41 - 4.52 -P18alpha assign (resid 19 and name HN) (resid 18 and name HA) 2.21 0.41 0.22 !----------------------------------------- ! Pro 20 ! peak 4.86 - 4.29 -V19alpha assign (resid 20 and name HA) (resid 19 and name HA) 1.89 0.09 0.19 ! peak 4.86 - 0.95 -V19gamma1 assign (resid 20 and name HA) (resid 19 and name HG*) 2.54 0.74 0.50 ! peak 4.86 - 1.05 -V19gamma2 ! Distance= 3.04 1.24 0.30 !----------------------------------------- ! Met 21 ! peak 9.42 - 1.88 -P20b assign (resid 21 and name HN) (resid 20 and name HB*) 3.72 1.92 0.37 ! peak 9.42 - 4.27 -V19a assign (resid 21 and name HN) (resid 19 and name HA) 2.98 1.18 0.30 !------------------------------------------ ! Arg 22 ! peak 8.74 - 4.08 -M21a assign (resid 22 and name HN) (resid 21 and name HA) 2.38 0.58 0.24 ! peak 1.45 - 0.64 -I24hg2* assign (resid 22 and name HG*) (resid 24 and name HG2*) 2.85 1.05 0.58 ! peak 6.99 - 4.48 -W38a assign (resid 22 and name HE) (resid 38 and name HA) 3.55 1.75 0.36 !----------------------------------------- ! Gln 23 ! peak 8.81 - 4.52 -R22a assign (resid 23 and name HN) (resid 22 and name HA) 2.22 0.42 0.22 ! peak 8.81 - 1.64 -R22b assign (resid 23 and name HN) (resid 22 and name HB*) 3.00 1.20 0.30 ! peak 8.81 - 1.43 -R22g assign (resid 23 and name HN) (resid 22 and name HG*) 3.60 1.80 0.36 ! peak 4.87 - 0.64 -I24g2 assign (resid 23 and name HA) (resid 24 and name HG2*) 3.03 1.23 0.60 !----------------------------------------- ! Ile 24 ! peak 8.74 - 4.84 -Q23a assign (resid 24 and name HN) (resid 23 and name HA) 2.25 0.45 0.23 ! peak 8.74 - 2.44 -Q23g assign (resid 24 and name HN) (resid 23 and name HG*) 5.10 3.30 0.00 ! peak 8.74 - 2.00 -Q23b assign (resid 24 and name HN) (resid 23 and name HB*) 2.93 1.13 0.29 ! peak 8.74 - 7.54 -G25NH assign (resid 24 and name HN) (resid 25 and name HN) 2.56 0.76 0.26 ! peak 8.74 - 5.52 -C35a assign (resid 24 and name HN) (resid 35 and name HA) 5.10 3.30 0.00 !----------------------------------------- ! Gly 25 ! peak 7.54 - 1.97 -I24b assign (resid 25 and name HN) (resid 24 and name HB*) 5.10 3.30 0.00 ! peak 7.54 - 0.75 -I24g1 assign (resid 25 and name HN) (resid 24 and name HG1*) 3.10 1.30 0.31 ! peak 7.54 - 0.54 -I24d assign (resid 25 and name HN) (resid 24 and name HD*) 3.68 1.88 0.74 ! peak 7.54 - 2.41 -Q23HG* ! Distance= 2.79 0.99 0.28 ! peak 7.54 - 2.29 -Q23HG* assign (resid 25 and name HN) (resid 23 and name HG*) 2.62 0.82 0.26 ! peak 4.26 - 2.22 -C34HBS assign (resid 25 and name HA*) (resid 34 and name HB2) 2.89 1.09 0.29 ! peak 4.29 - 1.00 -T26HG* assign (resid 25 and name HA*) (resid 26 and name HG2*) 2.76 0.96 0.66 ! peak 4.10 - 1.00 -T26HG* ! Distance= 3.20 1.40 0.64 !----------------------------------------- ! Thr 26 ! peak 8.69 - 4.26 strong -G25A* assign (resid 26 and name HN) (resid 25 and name HA*) 2.39 0.59 0.24 ! peak 8.69 - 4.08 strong -G25A* ! Distance= 2.54 0.74 0.25 ! *** interaction covered by previous constraint. ! peak 4.78 - 4.17 -K33a assign (resid 26 and name HA) (resid 33 and name HA) 2.28 0.48 0.23 !----------------------------------------- ! Cys 27 ! peak 8.37 - 4.34 -T26b assign (resid 27 and name HN) (resid 26 and name HB) 2.60 0.80 0.26 ! peak 8.37 - 0.99 -T26g assign (resid 27 and name HN) (resid 26 and name HG2*) 5.10 3.30 0.00 ! peak 3.06 - 0.81 -V32g assign (resid 27 and name HB2) (resid 32 and name HG1*) 2.35 0.55 0.48 ! peak 2.39 - 2.73 -C12hb* assign (resid 27 and name HB1) (resid 12 and name HB1) 5.10 3.30 0.00 ! peak 3.06 - 7.12 -F28h26 assign (resid 27 and name HB2) (resid 28 and name HD*) 3.03 1.23 0.30 ! peak 2.39 - 7.12 -F28h26 assign (resid 27 and name HB1) (resid 28 and name HD*) 3.02 1.22 0.30 !----------------------------------------- ! Phe 28 ! peak 7.72 - 4.53 -C27a assign (resid 28 and name HN) (resid 27 and name HA) 2.52 0.72 0.25 ! peak 7.72 - 2.39 -C27bR assign (resid 28 and name HN) (resid 27 and name HB1) 3.17 1.37 0.32 ! peak 7.13 - 1.96 -V32b assign (resid 28 and name HD*) (resid 32 and name HB) 2.64 0.84 0.26 ! peak 7.13 - 0.90 -V32gR assign (resid 28 and name HD*) (resid 32 and name HG2*) 3.01 1.21 0.60 ! peak 7.13 - 0.81 -V32gS assign (resid 28 and name HD*) (resid 32 and name HG1*) 2.78 0.98 0.56 !----------------------------------------- ! Gly 29 ! peak 8.35 - 4.52 strong -F28a assign (resid 29 and name HN) (resid 28 and name HA) 2.50 0.70 0.25 !----------------------------------------- ! Arg 30 ! peak 8.18 - 4.05 str-med -G29A* ! Distance= 2.52 0.72 0.25 ! *** This interaction covered by next constraint. ! peak 8.18 - 3.66 strong -G29A* assign (resid 30 and name HN) (resid 29 and name HA*) 2.25 0.45 0.23 !----------------------------------------- ! Pro 31 !----------------------------------------- ! Val 32 ! This is a degenerate NOE, unable to measure volume. assign (resid 32 and name HA) (resid 31 and name HD*) 3.00 1.20 0.50 !----------------------------------------- ! Lys 33 ! peak 8.41 - 4.19 -V32a assign (resid 33 and name HN) (resid 32 and name HA) 2.18 0.38 0.22 ! peak 8.41 - 4.44 weak -P14alpha assign (resid 33 and name HN) (resid 14 and name HA) 3.41 1.61 0.34 ! peak 8.41 - 0.81 -V32gS assign (resid 33 and name HN) (resid 32 and name HG1*) 2.95 1.15 0.60 ! peak 4.18 - 1.00 -T26g assign (resid 33 and name HA) (resid 26 and name HG2*) 2.68 0.88 0.54 !----------------------------------------- ! Cys 34 ! peak 8.15 - 4.17 -K33a assign (resid 34 and name HN) (resid 33 and name HA) 2.28 0.48 0.23 ! peak 8.15 - 1.86 -K33b assign (resid 34 and name HN) (resid 33 and name HB*) 3.16 1.36 0.32 ! peak 8.15 - 1.49 -K33g assign (resid 34 and name HN) (resid 33 and name HG*) 2.99 1.19 0.30 ! peak 8.15 - 0.99 -T26g assign (resid 34 and name HN) (resid 26 and name HG2*) 3.55 1.75 0.72 !----------------------------------------- ! Cys 35 ! peak 9.48 - 4.95 -C34a assign (resid 35 and name HN) (resid 34 and name HA) 2.29 0.49 0.23 ! peak 9.48 - 4.95 -C34HB1 assign (resid 35 and name HN) (resid 34 and name HB1) 5.10 3.30 0.00 ! peak 9.48 - 0.99 -I13h1, or I24hg1 ! Distance= 4.00 2.20 1.10 ! peak 9.48 - 8.82 -V11HN assign (resid 35 and name HN) (resid 11 and name HN) 3.06 1.26 0.31 ! peak 5.55 - 4.86 -Q23alpha assign (resid 35 and name HA) (resid 23 and name HA) 2.45 0.65 0.24 ! peak 5.55 - 0.64 -I24HG assign (resid 35 and name HA) (resid 24 and name HG2*) 3.35 1.55 0.68 ! peak 5.55 - 0.49 -I24HG assign (resid 35 and name HA) (resid 24 and name HG1*) 3.13 1.33 0.31 !----------------------------------------- ! Arg 36 ! peak 9.43 - 5.53 -C35a assign (resid 36 and name HN) (resid 35 and name HA) 2.38 0.58 0.24 ! peak 9.43 - 2.84 -C35bR assign (resid 36 and name HN) (resid 35 and name HB1) 4.28 2.48 0.43 ! peak 9.43 - 2.51 -C35bS assign (resid 36 and name HN) (resid 35 and name HB2) 2.89 1.09 0.29 ! peak 9.43 - 4.83 -Q23a assign (resid 36 and name HN) (resid 23 and name HA) 3.12 1.32 0.31 ! peak 9.43 - 8.74 -R22HN assign (resid 36 and name HN) (resid 22 and name HN) 3.14 1.34 0.31 ! peak 9.43 - 0.63 -I24g2 assign (resid 36 and name HN) (resid 24 and name HG2*) 5.10 3.30 0.00 ! peak 9.43 - 0.51 -I24d assign (resid 36 and name HN) (resid 24 and name HD*) 5.10 3.30 0.00 ! peak 9.43 - 2.57 -M21hg assign (resid 36 and name HN) (resid 21 and name HG*) 2.75 0.95 0.28 ! peak 9.43 - 2.16 -M21hg* ! Distance= 3.85 2.05 0.39 ! *** This constraint covered by previous assignment. ! peak 4.10 - 2.07 -hbS ! Distance= 2.50 0.70 0.25 ! peak 2.34 - 0.52 -I24d assign (resid 36 and name HD*) (resid 24 and name HD*) 2.47 0.67 0.50 ! peak 1.78 - 0.51 -I24d assign (resid 36 and name HB*) (resid 24 and name HD*) 2.93 1.13 0.58 ! peak 1.78 - 0.65 -I24g2 assign (resid 36 and name HB*) (resid 24 and name HG2*) 2.79 0.99 0.56 ! peak 6.26 - 0.63 -I24g2 assign (resid 36 and name HE) (resid 24 and name HG2*) 3.31 1.51 0.66 !----------------------------------------- ! Ser 37 ! peak 9.02 - 4.78 -R36a assign (resid 37 and name HN) (resid 36 and name HA) 3.12 1.32 0.31 ! peak 9.02 - 1.10 -R36b assign (resid 37 and name HN) (resid 36 and name HB*) 3.66 1.86 0.37 ! peak 9.02 - 1.54 -R36g assign (resid 37 and name HN) (resid 36 and name HG*) 3.22 1.42 0.32 ! peak 9.02 - 0.92 -R36g ! Distance= 3.38 1.58 0.34 ! peak 9.02 - 7.30 -W38HN assign (resid 37 and name HN) (resid 38 and name HN) 4.13 2.33 0.41 !----------------------------------------- ! Trp 38 ! peak 7.30 - 1.76 -R36b assign (resid 38 and name HN) (resid 36 and name HB*) 5.1 3.3 0.00 ! peak 7.30 - 1.53 -R36g assign (resid 38 and name HN) (resid 36 and name HG*) 5.1 3.3 0.00 ! peak 7.30 - 0.92 -R36g assign (resid 38 and name HN) (resid 36 and name HG*) 2.58 0.78 0.26 ! peak 7.05 - 0.92 -R36g assign (resid 38 and name HZ3) (resid 36 and name HG*) 5.10 3.30 0.00 !----------------------------------------- ! !
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