NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
627022 |
5oeo   |
34161 | cing | 1-original | 2 | STAR | peak |
#########################
# Spectral peak lists #
#########################
save_nef_nmr_spectrum_PeakList_12_1_1.peaks
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode nef_nmr_spectrum_PeakList_12_1_1.peaks
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type NOESY
_Spectral_peak_list.Number_of_spectral_dimensions 2
_Spectral_peak_list.Chemical_shift_list nef_chemical_shift_list_ShiftList_1-final.prot
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
1 1H 100 circular 12.8 ppm 11.8 yes .
2 1H 100 circular 12.8 ppm 11.8 yes .
stop_
loop_
_Peak.Index_ID
_Peak.ID
_Peak.Volume
_Peak.Volume_uncertainty
_Peak.Height
_Peak.Height_uncertainty
_Peak.Position_1
_Peak.Position_uncertainty_1
_Peak.Position_2
_Peak.Position_uncertainty_2
_Peak.Entity_assembly_ID_1
_Peak.Seq_ID_1
_Peak.Comp_ID_1
_Peak.Atom_ID_1
_Peak.Entity_assembly_ID_2
_Peak.Seq_ID_2
_Peak.Comp_ID_2
_Peak.Atom_ID_2
_Peak.Auth_asym_ID_1
_Peak.Auth_seq_ID_1
_Peak.Auth_comp_ID_1
_Peak.Auth_atom_ID_1
_Peak.Auth_asym_ID_2
_Peak.Auth_seq_ID_2
_Peak.Auth_comp_ID_2
_Peak.Auth_atom_ID_2
1 1 7253000 . 7253000 . 7.51 . 1.325 . 1 303 TRP HD1 1 130 ALA HB1 A 701 TRP HD1 A 128 ALA HB%
2 2 7253000 . 7253000 . 7.51 . 1.325 . 1 303 TRP HD1 1 130 ALA HB2 A 701 TRP HD1 A 128 ALA HB%
3 3 7253000 . 7253000 . 7.51 . 1.325 . 1 303 TRP HD1 1 130 ALA HB3 A 701 TRP HD1 A 128 ALA HB%
4 4 3821000 . 3821000 . 7.52 . 0.513 . 1 303 TRP HD1 1 102 ILE HD11 A 701 TRP HD1 A 100 ILE HD1%
5 5 3821000 . 3821000 . 7.52 . 0.513 . 1 303 TRP HD1 1 102 ILE HD12 A 701 TRP HD1 A 100 ILE HD1%
6 6 3821000 . 3821000 . 7.52 . 0.513 . 1 303 TRP HD1 1 102 ILE HD13 A 701 TRP HD1 A 100 ILE HD1%
7 7 5335000 . 5335000 . 7.514 . 2.089 . 1 303 TRP HD1 . . . . A 701 TRP HD1 . . . .
8 8 3789000 . 3789000 . 7.512 . 2.304 . 1 303 TRP HD1 . . . . A 701 TRP HD1 . . . .
9 9 3335000 . 3335000 . 7.507 . 2.258 . 1 303 TRP HD1 1 127 ILE HB A 701 TRP HD1 A 125 ILE HB
10 10 2582000 . 2582000 . 7.513 . 3.281 . 1 303 TRP HD1 1 303 TRP HB3 A 701 TRP HD1 A 701 TRP HBy
11 11 5564000 . 5564000 . 7.512 . 3.24 . 1 303 TRP HD1 1 303 TRP HB2 A 701 TRP HD1 A 701 TRP HBx
12 12 4876000 . 4876000 . 7.516 . 3.166 . 1 303 TRP HD1 . . . . A 701 TRP HD1 . . . .
13 13 5149000 . 5149000 . 7.515 . 3.126 . 1 303 TRP HD1 . . . . A 701 TRP HD1 . . . .
14 14 3246000 . 3246000 . 7.507 . 3.382 . 1 303 TRP HD1 . . . . A 701 TRP HD1 . . . .
15 15 6448000 . 6448000 . 7.514 . 3.996 . 1 303 TRP HD1 . . . . A 701 TRP HD1 . . . .
16 16 2510000 . 2510000 . 7.513 . 8.031 . 1 303 TRP HD1 1 303 TRP H A 701 TRP HD1 A 701 TRP H
17 17 2970000 . 2970000 . 7.518 . 7.886 . 1 303 TRP HD1 . . . . A 701 TRP HD1 . . . .
18 18 13550000 . 13550000 . 7.073 . 10.679 . 1 303 TRP HZ2 1 303 TRP HE1 A 701 TRP HZ2 A 701 TRP HE1
19 19 5417000 . 5417000 . 7.51 . 10.676 . 1 303 TRP HD1 1 303 TRP HE1 A 701 TRP HD1 A 701 TRP HE1
20 20 1810000 . 1810000 . 7.508 . 7.262 . 1 303 TRP HD1 . . . . A 701 TRP HD1 . . . .
21 21 2361000 . 2361000 . 7.516 . 7.188 . 1 303 TRP HD1 . . . . A 701 TRP HD1 . . . .
22 22 4950000 . 4950000 . 7.068 . 0.518 . 1 303 TRP HZ2 1 102 ILE HD11 A 701 TRP HZ2 A 100 ILE HD1%
23 23 4950000 . 4950000 . 7.068 . 0.518 . 1 303 TRP HZ2 1 102 ILE HD12 A 701 TRP HZ2 A 100 ILE HD1%
24 24 4950000 . 4950000 . 7.068 . 0.518 . 1 303 TRP HZ2 1 102 ILE HD13 A 701 TRP HZ2 A 100 ILE HD1%
25 25 5836000 . 5836000 . 7.078 . 0.617 . 1 303 TRP HZ2 . . . . A 701 TRP HZ2 . . . .
26 26 8720000 . 8720000 . 7.07 . 1.128 . 1 303 TRP HZ2 . . . . A 701 TRP HZ2 . . . .
27 27 15120000 . 15120000 . 7.071 . 1.28 . 1 303 TRP HZ2 . . . . A 701 TRP HZ2 . . . .
28 28 5133000 . 5133000 . 7.069 . 1.411 . 1 303 TRP HZ2 . . . . A 701 TRP HZ2 . . . .
29 29 3595000 . 3595000 . 7.07 . 1.637 . 1 303 TRP HZ2 . . . . A 701 TRP HZ2 . . . .
30 30 5955000 . 5955000 . 7.074 . 3.643 . 1 303 TRP HZ2 . . . . A 701 TRP HZ2 . . . .
31 31 3136000 . 3136000 . 7.088 . 2.372 . . . . . . . . . . . . . . . . .
32 32 4163000 . 4163000 . 7.085 . 2.097 . . . . . . . . . . . . . . . . .
33 33 6750000 . 6750000 . 7.008 . 1.127 . 1 303 TRP HH2 . . . . A 701 TRP HH2 . . . .
34 34 7723000 . 7723000 . 7.004 . 1.272 . 1 303 TRP HH2 . . . . A 701 TRP HH2 . . . .
35 35 6353000 . 6353000 . 7.011 . 1.415 . 1 303 TRP HH2 . . . . A 701 TRP HH2 . . . .
36 36 6358000 . 6358000 . 7.007 . 0.515 . 1 303 TRP HH2 1 102 ILE HD11 A 701 TRP HH2 A 100 ILE HD1%
37 37 6358000 . 6358000 . 7.007 . 0.515 . 1 303 TRP HH2 1 102 ILE HD12 A 701 TRP HH2 A 100 ILE HD1%
38 38 6358000 . 6358000 . 7.007 . 0.515 . 1 303 TRP HH2 1 102 ILE HD13 A 701 TRP HH2 A 100 ILE HD1%
39 39 3598000 . 3598000 . 6.994 . 0.658 . . . . . . . . . . . . . . . . .
40 40 4797000 . 4797000 . 7.007 . 0.617 . 1 303 TRP HH2 . . . . A 701 TRP HH2 . . . .
41 41 4457000 . 4457000 . 6.995 . 1.914 . 1 303 TRP HH2 1 126 MET HB3 A 701 TRP HH2 A 124 MET HBy
42 42 4457000 . 4457000 . 6.995 . 1.914 . 1 303 TRP HH2 1 146 MET HE1 A 701 TRP HH2 A 144 MET HE%
43 43 4457000 . 4457000 . 6.995 . 1.914 . 1 303 TRP HH2 1 146 MET HE2 A 701 TRP HH2 A 144 MET HE%
44 44 4457000 . 4457000 . 6.995 . 1.914 . 1 303 TRP HH2 1 146 MET HE3 A 701 TRP HH2 A 144 MET HE%
45 45 4319000 . 4319000 . 7.42 . 0.57 . 1 303 TRP HE3 . . . . A 701 TRP HE3 . . . .
46 46 4484000 . 4484000 . 7.421 . 0.515 . 1 303 TRP HE3 1 102 ILE HD11 A 701 TRP HE3 A 100 ILE HD1%
47 47 4484000 . 4484000 . 7.421 . 0.515 . 1 303 TRP HE3 1 102 ILE HD12 A 701 TRP HE3 A 100 ILE HD1%
48 48 4484000 . 4484000 . 7.421 . 0.515 . 1 303 TRP HE3 1 102 ILE HD13 A 701 TRP HE3 A 100 ILE HD1%
49 49 5843000 . 5843000 . 7.417 . 1.913 . 1 303 TRP HE3 1 146 MET HE1 A 701 TRP HE3 A 144 MET HE%
50 50 5843000 . 5843000 . 7.417 . 1.913 . 1 303 TRP HE3 1 146 MET HE2 A 701 TRP HE3 A 144 MET HE%
51 51 5843000 . 5843000 . 7.417 . 1.913 . 1 303 TRP HE3 1 146 MET HE3 A 701 TRP HE3 A 144 MET HE%
52 52 3066000 . 3066000 . 7.511 . 1.834 . 1 303 TRP HD1 . . . . A 701 TRP HD1 . . . .
53 53 7237000 . 7237000 . 7.689 . 0.679 . 1 309 ASN HD21 . . . . A 707 ASN HD21 . . . .
54 54 4010000 . 4010000 . 7.417 . 4.372 . 1 303 TRP HE3 . . . . A 701 TRP HE3 . . . .
55 55 6099000 . 6099000 . 7.42 . 7.029 . 1 303 TRP HE3 . . . . A 701 TRP HE3 . . . .
56 56 6350000 . 6350000 . 7.419 . 6.981 . 1 303 TRP HE3 . . . . A 701 TRP HE3 . . . .
57 57 10870000 . 10870000 . 7.514 . 7.408 . . . . . . . . . . . . . . . . .
58 58 6375000 . 6375000 . 7.514 . 7.623 . 1 303 TRP HD1 . . . . A 701 TRP HD1 . . . .
59 59 2725000 . 2725000 . 7.014 . 3.644 . 1 303 TRP HH2 . . . . A 701 TRP HH2 . . . .
60 60 3395000 . 3395000 . 7.013 . 1.634 . 1 303 TRP HH2 . . . . A 701 TRP HH2 . . . .
61 61 5955000 . 5955000 . 7.087 . 3.644 . . . . . . . . . . . . . . . . .
62 62 2642000 . 2642000 . 7.01 . 10.687 . 1 303 TRP HH2 1 303 TRP HE1 A 701 TRP HH2 A 701 TRP HE1
63 63 4586000 . 4586000 . 7.014 . 7.73 . 1 303 TRP HH2 . . . . A 701 TRP HH2 . . . .
64 64 3388000 . 3388000 . 7.512 . 3.205 . 1 303 TRP HD1 . . . . A 701 TRP HD1 . . . .
65 65 4688000 . 4688000 . 7.073 . 1.326 . 1 303 TRP HZ2 1 130 ALA HB1 A 701 TRP HZ2 A 128 ALA HB%
66 66 4688000 . 4688000 . 7.073 . 1.326 . 1 303 TRP HZ2 1 130 ALA HB2 A 701 TRP HZ2 A 128 ALA HB%
67 67 4688000 . 4688000 . 7.073 . 1.326 . 1 303 TRP HZ2 1 130 ALA HB3 A 701 TRP HZ2 A 128 ALA HB%
68 68 4424000 . 4424000 . 7.006 . 1.324 . 1 303 TRP HH2 1 130 ALA HB1 A 701 TRP HH2 A 128 ALA HB%
69 69 4424000 . 4424000 . 7.006 . 1.324 . 1 303 TRP HH2 1 130 ALA HB2 A 701 TRP HH2 A 128 ALA HB%
70 70 4424000 . 4424000 . 7.006 . 1.324 . 1 303 TRP HH2 1 130 ALA HB3 A 701 TRP HH2 A 128 ALA HB%
71 71 3147000 . 3147000 . 7.417 . 1.836 . 1 303 TRP HE3 . . . . A 701 TRP HE3 . . . .
72 72 2682000 . 2682000 . 7.417 . 1.333 . 1 303 TRP HE3 1 130 ALA HB1 A 701 TRP HE3 A 128 ALA HB%
73 73 2682000 . 2682000 . 7.417 . 1.333 . 1 303 TRP HE3 1 130 ALA HB2 A 701 TRP HE3 A 128 ALA HB%
74 74 2682000 . 2682000 . 7.417 . 1.333 . 1 303 TRP HE3 1 130 ALA HB3 A 701 TRP HE3 A 128 ALA HB%
75 75 3443000 . 3443000 . 7.411 . 3.241 . 1 303 TRP HE3 . . . . A 701 TRP HE3 . . . .
76 76 3721000 . 3721000 . 7.418 . 3.203 . 1 303 TRP HE3 . . . . A 701 TRP HE3 . . . .
77 77 2483000 . 2483000 . 7.422 . 3.165 . 1 303 TRP HE3 . . . . A 701 TRP HE3 . . . .
78 78 2927000 . 2927000 . 7.093 . 2.271 . . . . . . . . . . . . . . . . .
79 79 2242000 . 2242000 . 7.089 . 0.78 . . . . . . . . . . . . . . . . .
80 80 12480000 . 12480000 . 7.003 . 0.783 . 1 303 TRP HH2 1 127 ILE HG21 A 701 TRP HH2 A 125 ILE HG2%
81 81 12480000 . 12480000 . 7.003 . 0.783 . 1 303 TRP HH2 1 127 ILE HG22 A 701 TRP HH2 A 125 ILE HG2%
82 82 12480000 . 12480000 . 7.003 . 0.783 . 1 303 TRP HH2 1 127 ILE HG23 A 701 TRP HH2 A 125 ILE HG2%
83 83 8287000 . 8287000 . 7.004 . 0.822 . 1 303 TRP HH2 1 127 ILE HD11 A 701 TRP HH2 A 125 ILE HD1%
84 84 8287000 . 8287000 . 7.004 . 0.822 . 1 303 TRP HH2 1 127 ILE HD12 A 701 TRP HH2 A 125 ILE HD1%
85 85 8287000 . 8287000 . 7.004 . 0.822 . 1 303 TRP HH2 1 127 ILE HD13 A 701 TRP HH2 A 125 ILE HD1%
86 86 3199000 . 3199000 . 7.688 . 1.5 . . . . . . . . . . . . . . . . .
stop_
save_
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