Content for NMR-STAR saveframe, "peak_list_1_2_3"
save_peak_list_1_2_3
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_1_2_3
_Spectral_peak_list.Entry_ID 25658
_Spectral_peak_list.ID 3
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $13C-15N
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $standard
_Spectral_peak_list.Experiment_ID 3
_Spectral_peak_list.Experiment_name '2D 1H-13C HSQC/HMQC'
_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 'Default list'
_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 . . 4259.19238281 Hz . . . . . . 25658 3
2 . . C 13 13C . . 10683.76074220 Hz . . . . . . 25658 3
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . 25658 3
2 1.0 . . 25658 3
3 1.0 . . 25658 3
4 1.0 . . 25658 3
5 1.0 . . 25658 3
6 1.0 . . 25658 3
7 1.0 . . 25658 3
8 1.0 . . 25658 3
9 1.0 . . 25658 3
10 1.0 . . 25658 3
11 1.0 . . 25658 3
12 1.0 . . 25658 3
13 1.0 . . 25658 3
14 1.0 . . 25658 3
15 1.0 . . 25658 3
16 1.0 . . 25658 3
17 1.0 . . 25658 3
18 1.0 . . 25658 3
19 1.0 . . 25658 3
20 1.0 . . 25658 3
21 1.0 . . 25658 3
22 1.0 . . 25658 3
23 1.0 . . 25658 3
24 1.0 . . 25658 3
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 1703213.50000 . height 25658 3
1 12655042.56250 . volume 25658 3
2 1635684.50000 . height 25658 3
2 11954660.43750 . volume 25658 3
3 1381233.37500 . height 25658 3
3 10260509.18750 . volume 25658 3
4 1175160.12500 . height 25658 3
4 8566780.50000 . volume 25658 3
5 955014.56250 . height 25658 3
5 7789093.00000 . volume 25658 3
6 973812.50000 . height 25658 3
6 7833187.31250 . volume 25658 3
7 8317366.00000 . height 25658 3
7 67750606.00000 . volume 25658 3
8 8500667.00000 . height 25658 3
8 66108371.00000 . volume 25658 3
9 4955818.50000 . height 25658 3
9 37604923.75000 . volume 25658 3
10 5361221.50000 . height 25658 3
10 40873498.75000 . volume 25658 3
11 4382353.00000 . height 25658 3
11 33095349.75000 . volume 25658 3
12 2313154.00000 . height 25658 3
12 18378060.37500 . volume 25658 3
13 4032091.50000 . height 25658 3
13 33737636.25000 . volume 25658 3
14 7236712.50000 . height 25658 3
14 59632539.50000 . volume 25658 3
15 4824556.50000 . height 25658 3
15 39421319.00000 . volume 25658 3
16 2857790.25000 . height 25658 3
16 23504678.75000 . volume 25658 3
17 1234992.37500 . height 25658 3
17 9612372.31250 . volume 25658 3
18 8935741.00000 . height 25658 3
18 67111925.00000 . volume 25658 3
19 3230565.75000 . height 25658 3
19 26030464.25000 . volume 25658 3
20 502756.34375 . height 25658 3
20 3738372.15625 . volume 25658 3
21 308575.53125 . height 25658 3
21 2503026.48438 . volume 25658 3
22 763155.68750 . height 25658 3
22 6327722.06250 . volume 25658 3
23 209206.12500 . height 25658 3
23 1587899.78125 . volume 25658 3
24 5131958.00000 . height 25658 3
24 41701229.00000 . volume 25658 3
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 6.440 . 29.3212737395 . . . . . . . . . . 2 25658 3
1 2 124.370 . 353.0518131330 . . . . . . . . . . 2 25658 3
3 1 7.326 . 32.8295253508 . . . . . . . . . . 2 25658 3
3 2 114.904 . 330.9859952120 . . . . . . . . . . 2 25658 3
5 1 7.093 . 62.7531218363 . . . . . . . . . . 2 25658 3
5 2 124.248 . 553.5743205680 . . . . . . . . . . 2 25658 3
7 1 6.875 . 41.0490543741 . . . . . . . . . . 2 25658 3
7 2 133.927 . 451.9961608030 . . . . . . . . . . 2 25658 3
8 1 6.615 . 52.0196292709 . . . . . . . . . . 2 25658 3
8 2 117.887 . 357.0585698310 . . . . . . . . . . 2 25658 3
9 1 6.986 . 30.7605720258 . . . . . . . . . . 2 25658 3
9 2 118.616 . 369.4150712580 . . . . . . . . . . 2 25658 3
10 1 7.116 . 32.1692986365 . . . . . . . . . . 2 25658 3
10 2 132.961 . 370.7055500330 . . . . . . . . . . 2 25658 3
11 1 7.393 . 29.6466292530 . . . . . . . . . . 2 25658 3
11 2 132.978 . 373.6338829440 . . . . . . . . . . 2 25658 3
12 1 7.432 . 35.2143185023 . . . . . . . . . . 2 25658 3
12 2 130.608 . 478.3517938060 . . . . . . . . . . 2 25658 3
14 1 6.873 . 40.8433535640 . . . . . . . . . . 2 25658 3
14 2 133.138 . 496.6630285270 . . . . . . . . . . 2 25658 3
15 1 6.610 . 65.8623219745 . . . . . . . . . . 2 25658 3
15 2 117.747 . 376.0097903250 . . . . . . . . . . 2 25658 3
16 1 7.042 . 42.1409288512 . . . . . . . . . . 2 25658 3
16 2 131.307 . 558.1892229510 . . . . . . . . . . 2 25658 3
17 1 6.849 . 95.0645483948 . . . . . . . . . . 2 25658 3
17 2 132.230 . 1145.0074612000 . . . . . . . . . . 2 25658 3
18 1 7.223 . 25.3983811251 . . . . . . . . . . 2 25658 3
18 2 131.762 . 439.5056126050 . . . . . . . . . . 2 25658 3
19 1 7.265 . 73.9870990499 . . . . . . . . . . 2 25658 3
19 2 131.895 . 850.5742056400 . . . . . . . . . . 2 25658 3
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 . . 6.440 . . 1 . 1 1 30 TRP HD1 . . . . . . . . . . 1578 . 25658 3
1 2 1 . . 124.370 . . 1 . 1 1 30 TRP CD1 . . . . . . . . . . 1577 . 25658 3
3 1 1 . . 7.326 . . 1 . 1 1 30 TRP HZ2 . . . . . . . . . . 1581 . 25658 3
3 2 1 . . 114.904 . . 1 . 1 1 30 TRP CZ2 . . . . . . . . . . 1580 . 25658 3
5 1 1 . . 7.093 . . 1 . 1 1 30 TRP HH2 . . . . . . . . . . 1612 . 25658 3
5 2 1 . . 124.248 . . 1 . 1 1 30 TRP CH2 . . . . . . . . . . 1611 . 25658 3
7 1 1 . . 6.875 . . 1 . 1 1 29 TYR QD . . . . . . . . . . 1583 . 25658 3
7 2 1 . . 133.927 . . 1 . 1 1 29 TYR CD2 . . . . . . . . . . 1582 . 25658 3
8 1 1 . . 6.615 . . 1 . 1 1 29 TYR QE . . . . . . . . . . 1585 . 25658 3
8 2 1 . . 117.887 . . 1 . 1 1 29 TYR CE2 . . . . . . . . . . 1584 . 25658 3
9 1 1 . . 6.986 . . 1 . 1 1 48 TYR QE . . . . . . . . . . 1589 . 25658 3
9 2 1 . . 118.616 . . 1 . 1 1 48 TYR CE1 . . . . . . . . . . 1588 . 25658 3
10 1 1 . . 7.116 . . 1 . 1 1 48 TYR QD . . . . . . . . . . 1587 . 25658 3
10 2 1 . . 132.961 . . 1 . 1 1 48 TYR CD1 . . . . . . . . . . 1586 . 25658 3
11 1 1 . . 7.393 . . 1 . 1 1 40 PHE QD . . . . . . . . . . 1591 . 25658 3
11 2 1 . . 132.978 . . 1 . 1 1 40 PHE CD2 . . . . . . . . . . 1590 . 25658 3
12 1 1 . . 7.432 . . 1 . 1 1 40 PHE QE . . . . . . . . . . 1593 . 25658 3
12 2 1 . . 130.608 . . 1 . 1 1 40 PHE CE2 . . . . . . . . . . 1592 . 25658 3
14 1 1 . . 6.873 . . 1 . 1 1 57 TYR QD . . . . . . . . . . 1595 . 25658 3
14 2 1 . . 133.138 . . 1 . 1 1 57 TYR CD2 . . . . . . . . . . 1594 . 25658 3
15 1 1 . . 6.610 . . 1 . 1 1 57 TYR QE . . . . . . . . . . 1596 . 25658 3
15 2 1 . . 117.747 . . 1 . 1 1 57 TYR CE2 . . . . . . . . . . 1597 . 25658 3
16 1 2 . . 7.042 . . 1 . 1 1 120 PHE QE . . . . . . . . . . 1598 . 25658 3
16 2 1 . . 131.307 . . 1 . 1 1 120 PHE CE1 . . . . . . . . . . 1599 . 25658 3
17 1 1 . . 6.849 . . 1 . 1 1 120 PHE QD . . . . . . . . . . 1600 . 25658 3
17 2 1 . . 132.230 . . 1 . 1 1 120 PHE CD1 . . . . . . . . . . 1613 . 25658 3
18 1 1 . . 7.223 . . 1 . 1 1 179 PHE QD . . . . . . . . . . 1606 . 25658 3
18 2 1 . . 131.762 . . 1 . 1 1 179 PHE CD2 . . . . . . . . . . 1607 . 25658 3
19 1 1 . . 7.265 . . 1 . 1 1 179 PHE QE . . . . . . . . . . 1608 . 25658 3
19 2 1 . . 131.895 . . 1 . 1 1 179 PHE CE2 . . . . . . . . . . 1609 . 25658 3
stop_
save_