NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | type | subsubtype |
27857 | 2sob | 4010 | cing | recoord | 1-original | 3 | chemical shift | format 3 |
!residue HN N Ha Hb other ! !A1 !T2 7.95 118 4.36 4.74 gMe 1.20 !S3 8.47 120.8 4.59 3.87, 3.92 !T4 8.27 118.7 4.37 4.64 gMe 1.23 !K5 8.22 125.7 !K6 8.30 125 4.35 1.80 g 1.46; d 2.18 !L7 8.02 117.3 4.39 1.77 g 1.27; dMe1 0.90; d Me2 0.83 !H8 8.57 121 4.85 3.24, 3.16 d2 7.30; e1 8.62 !K9 8.27 125.2 4.34 1.84, 1.77 g 1.45,1.41 !E10 8.53 126.2 4.62 1.96 g 2.34 !P11 5.00 2.37 g 2.02 !A12 8.16 122.3 5.04 1.40 !T13 8.06 111.2 4.13 4.72 gMe 1.31 !L14 9.12 127.5 4.17 1.95 g 1.24; dMe 0.84 !I15 8.37 127.8 4.24 1.40 g 1.65; gMe 0.89; dMe 0.97 !K16 8.26 125.9 4.34 1.77 g 1.42 !A17 9.52 132.8 4.59 1.42 !I18 7.99 127.7 3.88 1.60 g 1.84; gMe 0.85; dMe 1.09 !D19 8.21 120.1 4.53 3.05, 2.99 !G20 8.49 105.6 3.84 !D21 8.13 116.6 4.97 2.88, 2.58 !T22 7.62 117.7 5.34 3.80 gMe 1.04 !V23 9.09 124.3 4.70 1.93 gMe 0.84 !K24 9.26 129.9 5.50 1.84 g 1.43; d 0.84; e 2.39 !L25 9.30 128.3 5.26 1.76, 1.55 g 1.46; dMe1 0.19; dMe2 0.79 !M26 9.47 123.9 4.87 2.30, 2.52 g 1.75 !Y27 9.11 132.3 5.01 3.24, 2.88 d 7.32; e 6.94 !K28 9.28 129.2 3.61 1.77 g 1.47 !G29 8.39 104.3 4.15, 3.59 !Q30 7.91 121.7 5.06 2.16, 2.08 g 2.41; Nd 113.56; NHd1 7.48; NHd2 6.89 !P31 4.56 1.87 g 1.45; d 3.96" !M32 8.98 125.1 5.06 2.42 g 2.11 !T33 8.26 119 4.64 4.36 gMe 1.52 !F34 9.30 127.7 5.27 2.70 d 6.91; e 6.52; z 6.45 !R35 8.99 124.2 5.31 1.56 g 1.42; d 2.69,3.11; Ne 86.88, NHe 7.21 !L36 8.53 127.2 4.43 g 1.65; dMe 0.80 !L37 7.49 127.5 4.15 1.09 g 1.48; dMe 0.99,0.55 !L38 9.41 127.8 4.64 2.19, 1.93 g 1.68; dME 0.75" !V39 9.11 128.4 3.92 1.97 !D40 8.44 123.1 4.36 !T41 8.04 114.4 4.83 1.88 gMe 1.07 !P42 4.35 2.31 g 2.01; d 2.59 !E43 8.40 120.3 4.28 2.33 g 2.04 !T44 7.86 116 4.28 4.57 gMe 1.19 !K45 8.12 124.7 4.32 1.69 g 1.43 !H46 8.29 120.5 5.02 3.18 !P47 4.57 !K48 8.34 124.4 4.35 1.80 g 1.46; d 2.18" !K49 8.49 124 4.34 1.81 g 1.48; d 2.32; e 3.02 !G50 8.47 112.8 4.01, 3.97 !V51 7.96 120.8 4.16 2.11 gMe 0.94 !E52 8.49 126.1 4.29 1.96 g 2.29 !K53 8.13 123.7 4.25 1.70 g 1.38 !Y54 8.13 122 4.66 3.11, 2.97 d 7.11; e 6.81 !G55 8.26 112.4 4.17 !P56 4.27 2.33 g 2.05; d 3.70 !E57 8.64 121.2 4.26 2.38 g 2.08 !A58 7.91 124.6 4.45 1.44 !S59 8.12 115.6 4.23 3.94 !A60 8.11 126 4.35 1.44 !F61 8.09 121.7 4.28 3.22 d 7.27; e 7.40; z 7.33 !T62 8.18 117 3.71 4.08 gMe 1.20 !K63 7.66 122.8 3.72 1.80 g 1.23 !K64 7.75 118.5 3.98 1.95 g 1.32; d 0.82 !M65 7.52 118.1 4.27 2.06 g 2.43 !L66 8.20 120.1 3.94 dMe 0.91 !E67 8.52 119.6 3.88 2.07 g 2.52 !N68 7.57 115.6 4.76 2.86 "Ng 114.98, NHg1 7.68; NHg2 6.98 !A69 6.97 124.6 4.49 1.43 !K70 10.09 127.1 4.42 2.06, 1.93 g 1.60 !K71 8.87 123.7 4.66 1.80 !I72 8.92 130.9 5.25 1.86 g 1.56,1.45; gMe 0.69; dMe 0.91 !E73 8.84 125.8 5.31 1.84 g 2.02 !V74 9.59 119.3 5.18 1.48 gMe1 0.44; gMe2 0.30 !E75 9.02 127.3 5.00 2.28, 2.20 !F76 8.55 124.4 5.04 3.29, 3.05 d 7.08, e 6.90 !D77 8.90 123.2 4.69 2.91, 2.61 !K78 8.67 127.6 4.25 1.92 g 1.49 !G79 8.58 110 4.14, 3.85 !Q80 7.75 121.6 4.28 2.15 g 2.34; Nd 113.95, NHd1 7.59; NHd2 7.01 !R81 8.41 124.6 4.48 1.85 g 2.29; d 3.03,3.22; Ne 86.96, NHe 7.28 !T82 8.11 117.7 4.34 4.72 gMe 1.23 !D83 8.44 122.1 4.66 2.74 !K84 8.16 125.2 4.35 1.61 !Y85 8.39 126.4 4.78 2.71, 2.61 d 7.06; e 6.82 !G86 8.12 110.6 4.17, 3.70 !R87 8.46 122.4 4.34 1.81, 2.05 g 1.49,2.33; d 3.20,3.43, Ne 86.92, NHe 8.62 !V88 8.04 124 4.03 1.35 gMe1 0.55; gMe2 0.46 !L89 8.47 131.5 4.91 1.76 g 1.32; dMe 0.80,0.56 !A90 8.51 124.9 4.91 1.20 !Y91 8.70 122 4.70 3.12, 2.74 d 7.02 !I92 8.61 124.5 4.91 1.47 g 1.55; gMe 0.75; dMe 0.82 !Y93 9.40 127.5 5.14 2.81, 2.45 d 6.67, e 6.69 !A94 9.27 127.7 5.05 1.18 !D95 9.73 128.7 4.43 2.91, 1.22 !G96 9.30 105.2 4.26, 3.66 !K97 7.90 123.7 4.70 1.86 g 2.11, d 3.05 !M98 8.81 115.8 4.31 2.39 !V99 9.42 133 3.87 1.93 gMe1 0.95; gMe2 0.73 !N100 7.88 119.3 3.98 2.47, 1.94 gN 114.02; gNH2 7.57,6.87 !E101 7.98 126.2 4.25 1.46, 1.74 g 3.20,2.04 !A102 7.30 126.7 4.14 1.63 !L103 8.26 125.9 4.62 dMe 0.91 ! !Minor conformational form involving residues 43 - 55 ! !E43* 8.39 119.7 4.28 2.33 g 2.04 !T44* 7.89 116.3 gMe 1.20 !H46* 8.26 121.6 5.04 3.18 tentative: H46 and H46* may be reversed !K49* 8.54 123.7 4.26 1.80 g 1.45 !G50* 8.38 112.7 4.02 !V51* 7.91 120.7 4.14 2.13 gMe 0.93 !E52* 8.50 126.5 4.26 1.95 g 2.28 !K53* 8.16 124 4.25 1.66 g 1.28 !Y54* 7.95 120.4 4.63 3.39, 2.75 d 7.07; e 6.84 !G55* 8.18 112.4 4.13 ! !Minor conformational form involving residues 100 - 103 ! !N100** 7.68 119.6 4.03 1.82,1.44 gN 113.9; gNH2 7.50,6.83 !E101** 8.02 125.8 !A102** 7.69 128.9 4.20 1.60 !L103** 7.86 130.6 4.17 1.79 g 1.42 ! ! ! SN-OB NOE & H-BOND RESTRAINTS ! ONLY DATA FOR THE MAJOR CONFORMATIONAL FORM WERE USED ! ! NOE'S ! ! S = 1.8 - 2.9 ? (1.1) ! M = 1.8 - 4.2 ? (2.4) ! W = 1.8 - 5.0 ? (3.2) !VW = 1.8 - 6.5 ? (4.7) ! PSEUDOATOMS ! METHYLENE B'S + 1A ! METHYLS + 1.5 A ! DEGENERATE METHYLS (VAL, LEU) + 2.4 A ! DEGENERATE AROMATICS (PHE, TYR) + 2.0 A ! ! ! PHI COUPLING CONSTANTS ! ! J > 8.1, PHI = -120 +/- 40 ! 5.6 < J < 8.0, PHI = NOT USED ! J < 5.5, PHI = -60 +/- 20 ! !!!!!STATISTICS: !!!TOTAL RESTRAINTS = 870 (49 PHI + 813 NOE + 8 H-BOND) !!INTRA-RESIDUE NOE 214 !!SHORT-RANGE NOE 334 !!LONG RANGE NOE 265 !!!H-BONDS 8 ! !!!! NOE RESTRAINTS ! !!!! LONG-RANGE !
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