Content for NMR-STAR saveframe, "peak_list_1_2_3_4"
save_peak_list_1_2_3_4
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_1_2_3_4
_Spectral_peak_list.Entry_ID 18351
_Spectral_peak_list.ID 4
_Spectral_peak_list.Sample_ID 4
_Spectral_peak_list.Sample_label $unlabeled
_Spectral_peak_list.Sample_condition_list_ID 28
_Spectral_peak_list.Sample_condition_list_label $CondSet1
_Spectral_peak_list.Experiment_ID 33
_Spectral_peak_list.Experiment_name '2D 1H-1H NOESY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details ARIA2_NOE_Peaks_run96_it8_NC2|65|1|7
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_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
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 1H . . 11160.7142857 . . . . . . . 18351 4
2 . . H 1 1H . . 11160.7047589 . . . . . . . 18351 4
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 0.0 . 'Orig. #: 1, ARIA2 REJECT' 18351 4
2 0.0 . 'Orig. #: 2, ARIA2 REJECT' 18351 4
3 0.0 . 'Orig. #: 3, ARIA2 REJECT' 18351 4
4 1.0 . 'Orig. #: 4' 18351 4
5 0.0 . 'Orig. #: 5, ARIA2 REJECT' 18351 4
6 0.0 . 'Orig. #: 6, ARIA2 REJECT' 18351 4
7 1.0 . 'Orig. #: 7' 18351 4
8 1.0 . 'Orig. #: 8' 18351 4
9 1.0 . 'Orig. #: 9' 18351 4
10 1.0 . 'Orig. #: 10' 18351 4
11 0.0 . 'Orig. #: 11, ARIA2 REJECT' 18351 4
12 1.0 . 'Orig. #: 12' 18351 4
13 1.0 . 'Orig. #: 13' 18351 4
14 1.0 . 'Orig. #: 14' 18351 4
15 1.0 . 'Orig. #: 15' 18351 4
16 1.0 . 'Orig. #: 16' 18351 4
17 1.0 . 'Orig. #: 18' 18351 4
18 1.0 . 'Orig. #: 19' 18351 4
19 1.0 . 'Orig. #: 20' 18351 4
20 1.0 . 'Orig. #: 21' 18351 4
21 1.0 . 'Orig. #: 22' 18351 4
stop_
loop_
_Peak_general_char.Peak_ID
_Peak_general_char.Intensity_val
_Peak_general_char.Intensity_val_err
_Peak_general_char.Measurement_method
_Peak_general_char.Entry_ID
_Peak_general_char.Spectral_peak_list_ID
1 11811430.0 . volume 18351 4
2 9083786.0 . volume 18351 4
3 11831156.0 . volume 18351 4
4 2883460.0 . volume 18351 4
5 4366084.0 . volume 18351 4
6 2563574.0 . volume 18351 4
7 3841908.0 . volume 18351 4
8 3220370.0 . volume 18351 4
9 1040202.0 . volume 18351 4
10 1706122.0 . volume 18351 4
11 10012412.0 . volume 18351 4
12 2245648.0 . volume 18351 4
13 2562942.0 . volume 18351 4
14 1616616.0 . volume 18351 4
15 4285606.0 . volume 18351 4
16 2771086.0 . volume 18351 4
17 1580092.0 . volume 18351 4
18 5210462.0 . volume 18351 4
19 2087328.0 . volume 18351 4
20 3493528.0 . volume 18351 4
21 1374540.0 . volume 18351 4
stop_
loop_
_Peak_char.Peak_ID
_Peak_char.Spectral_dim_ID
_Peak_char.Chem_shift_val
_Peak_char.Chem_shift_val_err
_Peak_char.Line_width_val
_Peak_char.Line_width_val_err
_Peak_char.Phase_val
_Peak_char.Phase_val_err
_Peak_char.Decay_rate_val
_Peak_char.Decay_rate_val_err
_Peak_char.Coupling_pattern
_Peak_char.Bounding_box_upper_val
_Peak_char.Bounding_box_lower_val
_Peak_char.Bounding_box_range_val
_Peak_char.Details
_Peak_char.Derivation_method_ID
_Peak_char.Entry_ID
_Peak_char.Spectral_peak_list_ID
1 1 -0.347 . . . . . . . . . . . . 1 18351 4
1 2 0.610 . . . . . . . . . . . . 1 18351 4
2 1 -0.347 . . . . . . . . . . . . 1 18351 4
2 2 3.770 . . . . . . . . . . . . 1 18351 4
3 1 -0.347 . . . . . . . . . . . . 1 18351 4
3 2 4.284 . . . . . . . . . . . . 1 18351 4
4 1 -0.347 . . . . . . . . . . . . 1 18351 4
4 2 4.639 . . . . . . . . . . . . 1 18351 4
5 1 -0.347 . . . . . . . . . . . . 1 18351 4
5 2 8.790 . . . . . . . . . . . . 1 18351 4
6 1 -0.347 . . . . . . . . . . . . 1 18351 4
6 2 7.628 . . . . . . . . . . . . 1 18351 4
7 1 -0.347 . . . . . . . . . . . . 1 18351 4
7 2 7.392 . . . . . . . . . . . . 1 18351 4
8 1 -0.346 . . . . . . . . . . . . 1 18351 4
8 2 6.933 . . . . . . . . . . . . 1 18351 4
9 1 -0.346 . . . . . . . . . . . . 1 18351 4
9 2 3.924 . . . . . . . . . . . . 1 18351 4
10 1 -0.347 . . . . . . . . . . . . 1 18351 4
10 2 4.488 . . . . . . . . . . . . 1 18351 4
11 1 -0.347 . . . . . . . . . . . . 1 18351 4
11 2 8.326 . . . . . . . . . . . . 1 18351 4
12 1 -0.347 . . . . . . . . . . . . 1 18351 4
12 2 3.259 . . . . . . . . . . . . 1 18351 4
13 1 -0.347 . . . . . . . . . . . . 1 18351 4
13 2 2.410 . . . . . . . . . . . . 1 18351 4
14 1 -0.347 . . . . . . . . . . . . 1 18351 4
14 2 2.274 . . . . . . . . . . . . 1 18351 4
15 1 -0.346 . . . . . . . . . . . . 1 18351 4
15 2 1.746 . . . . . . . . . . . . 1 18351 4
16 1 -0.347 . . . . . . . . . . . . 1 18351 4
16 2 2.060 . . . . . . . . . . . . 1 18351 4
17 1 -0.345 . . . . . . . . . . . . 1 18351 4
17 2 1.445 . . . . . . . . . . . . 1 18351 4
18 1 -0.344 . . . . . . . . . . . . 1 18351 4
18 2 1.295 . . . . . . . . . . . . 1 18351 4
19 1 -0.344 . . . . . . . . . . . . 1 18351 4
19 2 1.408 . . . . . . . . . . . . 1 18351 4
20 1 -0.347 . . . . . . . . . . . . 1 18351 4
20 2 2.157 . . . . . . . . . . . . 1 18351 4
21 1 -0.347 . . . . . . . . . . . . 1 18351 4
21 2 4.102 . . . . . . . . . . . . 1 18351 4
stop_
loop_
_Assigned_peak_chem_shift.Peak_ID
_Assigned_peak_chem_shift.Spectral_dim_ID
_Assigned_peak_chem_shift.Set_ID
_Assigned_peak_chem_shift.Magnetization_linkage_ID
_Assigned_peak_chem_shift.Assembly_atom_ID
_Assigned_peak_chem_shift.Val
_Assigned_peak_chem_shift.Contribution_fractional_val
_Assigned_peak_chem_shift.Figure_of_merit
_Assigned_peak_chem_shift.Assigned_chem_shift_list_ID
_Assigned_peak_chem_shift.Atom_chem_shift_ID
_Assigned_peak_chem_shift.Entity_assembly_ID
_Assigned_peak_chem_shift.Entity_ID
_Assigned_peak_chem_shift.Comp_index_ID
_Assigned_peak_chem_shift.Comp_ID
_Assigned_peak_chem_shift.Atom_ID
_Assigned_peak_chem_shift.Ambiguity_code
_Assigned_peak_chem_shift.Ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_atom_peak_num
_Assigned_peak_chem_shift.Auth_entity_ID
_Assigned_peak_chem_shift.Auth_seq_ID
_Assigned_peak_chem_shift.Auth_comp_ID
_Assigned_peak_chem_shift.Auth_atom_ID
_Assigned_peak_chem_shift.Auth_ambiguity_code
_Assigned_peak_chem_shift.Auth_ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_amb_atom_grp_ID
_Assigned_peak_chem_shift.Resonance_ID
_Assigned_peak_chem_shift.Details
_Assigned_peak_chem_shift.Entry_ID
_Assigned_peak_chem_shift.Spectral_peak_list_ID
1 1 1 . . -0.347 . . 1 . 1 1 60 ALA MB . . . . . . . . . . 467 . 18351 4
1 2 1 . . 0.610 . . 1 . 1 1 80 LEU MD1 . . . . . . . . . . 703 . 18351 4
2 1 1 . . -0.347 . . 1 . 1 1 60 ALA MB . . . . . . . . . . 467 . 18351 4
2 2 1 . . 3.770 . . 1 . 1 1 50 GLU HA . . . . . . . . . . 412 . 18351 4
3 1 1 . . -0.347 . . 1 . 1 1 60 ALA MB . . . . . . . . . . 467 . 18351 4
3 2 1 . . 4.284 . . 1 . 1 1 60 ALA HA . . . . . . . . . . 455 . 18351 4
4 1 1 . . -0.347 . . 1 . 1 1 60 ALA MB . . . . . . . . . . 467 . 18351 4
4 2 1 . . 4.639 . . 1 . 1 1 59 ARG HA . . . . . . . . . . 496 . 18351 4
5 1 1 . . -0.347 . . 1 . 1 1 60 ALA MB . . . . . . . . . . 467 . 18351 4
5 2 1 . . 8.790 . . 1 . 1 1 61 ARG H . . . . . . . . . . 465 . 18351 4
6 1 1 . . -0.347 . . 1 . 1 1 60 ALA MB . . . . . . . . . . 467 . 18351 4
6 2 1 . . 7.628 . . 1 . 1 1 53 CYS H . . . . . . . . . . 70 . 18351 4
7 1 1 . . -0.347 . . 1 . 1 1 60 ALA MB . . . . . . . . . . 467 . 18351 4
7 2 1 . . 7.392 . . 1 . 1 1 49 PHE QD . . . . . . . . . . 747 . 18351 4
8 1 1 . . -0.346 . . 1 . 1 1 60 ALA MB . . . . . . . . . . 467 . 18351 4
8 2 1 . . 6.933 . . 1 . 1 1 49 PHE QE . . . . . . . . . . 748 . 18351 4
9 1 1 . . -0.346 . . 1 . 1 1 60 ALA MB . . . . . . . . . . 467 . 18351 4
9 2 1 . . 3.924 . . 1 . 1 1 49 PHE HB2 . . . . . . . . . . 580 . 18351 4
10 1 1 . . -0.347 . . 1 . 1 1 60 ALA MB . . . . . . . . . . 467 . 18351 4
10 2 1 . . 4.488 . . 1 . 1 1 49 PHE HA . . . . . . . . . . 609 . 18351 4
11 1 1 . . -0.347 . . 1 . 1 1 60 ALA MB . . . . . . . . . . 467 . 18351 4
11 2 1 . . 8.326 . . 1 . 1 1 60 ALA H . . . . . . . . . . 789 . 18351 4
12 1 1 . . -0.347 . . 1 . 1 1 60 ALA MB . . . . . . . . . . 467 . 18351 4
12 2 1 . . 3.259 . . 1 . 1 1 77 PRO HD3 . . . . . . . . . . 757 . 18351 4
13 1 1 . . -0.347 . . 1 . 1 1 60 ALA MB . . . . . . . . . . 467 . 18351 4
13 2 1 . . 2.410 . . 1 . 1 1 53 CYS HB2 . . . . . . . . . . 349 . 18351 4
14 1 1 . . -0.347 . . 1 . 1 1 60 ALA MB . . . . . . . . . . 467 . 18351 4
14 2 1 . . 2.274 . . 1 . 1 1 53 CYS HB3 . . . . . . . . . . 350 . 18351 4
15 1 1 . . -0.346 . . 1 . 1 1 60 ALA MB . . . . . . . . . . 467 . 18351 4
15 2 1 . . 1.746 . . 1 . 1 1 77 PRO HG2 . . . . . . . . . . 784 . 18351 4
16 1 1 . . -0.347 . . 1 . 1 1 60 ALA MB . . . . . . . . . . 467 . 18351 4
16 2 1 . . 2.060 . . 1 . 1 1 50 GLU HB3 . . . . . . . . . . 414 . 18351 4
17 1 1 . . -0.345 . . 1 . 1 1 60 ALA MB . . . . . . . . . . 467 . 18351 4
17 2 1 . . 1.445 . . 1 . 1 1 80 LEU HB3 . . . . . . . . . . 700 . 18351 4
18 1 1 . . -0.344 . . 1 . 1 1 60 ALA MB . . . . . . . . . . 467 . 18351 4
18 2 1 . . 1.295 . . 1 . 1 1 77 PRO HG3 . . . . . . . . . . 783 . 18351 4
19 1 1 . . -0.344 . . 1 . 1 1 60 ALA MB . . . . . . . . . . 467 . 18351 4
19 2 1 . . 1.408 . . 1 . 1 1 61 ARG HG3 . . . . . . . . . . 755 . 18351 4
20 1 1 . . -0.347 . . 1 . 1 1 60 ALA MB . . . . . . . . . . 467 . 18351 4
20 2 1 . . 2.157 . . 1 . 1 1 50 GLU HG3 . . . . . . . . . . 729 . 18351 4
21 1 1 . . -0.347 . . 1 . 1 1 60 ALA MB . . . . . . . . . . 467 . 18351 4
21 2 1 . . 4.102 . . 1 . 1 1 77 PRO HD2 . . . . . . . . . . 786 . 18351 4
stop_
save_