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 25684
_Spectral_peak_list.ID 3
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $wr10_43_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $1
_Spectral_peak_list.Experiment_ID 4
_Spectral_peak_list.Experiment_name '3D 1H-15N NOESY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_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 'New 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 . . 5580.35693359 Hz . . . . . . 25684 3
2 . . H 1 1H . . 8396.57910156 Hz . . . . . . 25684 3
3 . . N 15 15N . . 1772.50000000 Hz . . . . . . 25684 3
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . 25684 3
2 1.0 . . 25684 3
3 1.0 . . 25684 3
4 1.0 . . 25684 3
5 1.0 . . 25684 3
6 1.0 . . 25684 3
7 1.0 . . 25684 3
8 1.0 . . 25684 3
9 1.0 . . 25684 3
10 1.0 . . 25684 3
11 1.0 . . 25684 3
12 1.0 . . 25684 3
13 1.0 . . 25684 3
14 1.0 . . 25684 3
15 1.0 . . 25684 3
16 1.0 . . 25684 3
17 1.0 . . 25684 3
18 1.0 . . 25684 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 161681.1093750 . height 25684 3
1 2589457.6367200 . volume 25684 3
2 212100.0312500 . height 25684 3
2 3517881.6679700 . volume 25684 3
3 95746.8281250 . height 25684 3
3 1561904.0488300 . volume 25684 3
4 77744.8906250 . height 25684 3
4 1474972.8847700 . volume 25684 3
5 238630.6562500 . height 25684 3
5 4231147.2421900 . volume 25684 3
6 196809.4375000 . height 25684 3
6 3396099.2421900 . volume 25684 3
7 4110030.5000000 . height 25684 3
7 55881876.6875000 . volume 25684 3
8 270153.4062500 . height 25684 3
8 4394962.8437500 . volume 25684 3
9 118948.3203120 . height 25684 3
9 2192650.1464800 . volume 25684 3
10 100889.0312500 . height 25684 3
10 2101170.9648400 . volume 25684 3
11 132961.1718750 . height 25684 3
11 2692589.1484400 . volume 25684 3
12 244023.8281250 . height 25684 3
12 4404936.9765600 . volume 25684 3
13 1433459.6250000 . height 25684 3
13 23793211.0000000 . volume 25684 3
14 877232.4375000 . height 25684 3
14 14351101.8359000 . volume 25684 3
15 50502.0742188 . height 25684 3
15 1014249.5937500 . volume 25684 3
16 137716.3437500 . height 25684 3
16 2600759.1132800 . volume 25684 3
17 82967.0234375 . height 25684 3
17 1142556.8105500 . volume 25684 3
18 332980.7500000 . height 25684 3
18 5366901.1406200 . volume 25684 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 10.314 . 21.2213482200 . . . . . . . . . . 2 25684 3
1 2 0.531 . 55.4916797652 . . . . . . . . . . 2 25684 3
1 3 129.832 . 23.8928161251 . . . . . . . . . . 2 25684 3
2 1 10.313 . 22.3567301805 . . . . . . . . . . 2 25684 3
2 2 0.678 . 64.0362913980 . . . . . . . . . . 2 25684 3
2 3 129.832 . 23.8202218960 . . . . . . . . . . 2 25684 3
3 1 10.313 . 20.7018032890 . . . . . . . . . . 2 25684 3
3 2 1.408 . 86.8684666047 . . . . . . . . . . 2 25684 3
3 3 129.832 . 22.2451987304 . . . . . . . . . . 2 25684 3
4 1 10.313 . 21.4816196084 . . . . . . . . . . 2 25684 3
4 2 1.462 . 109.3438030550 . . . . . . . . . . 2 25684 3
4 3 129.832 . 24.3680880032 . . . . . . . . . . 2 25684 3
5 1 10.313 . 21.7212688547 . . . . . . . . . . 2 25684 3
5 2 3.250 . 117.7442778550 . . . . . . . . . . 2 25684 3
5 3 129.832 . 23.1404351133 . . . . . . . . . . 2 25684 3
6 1 10.313 . 20.8644521182 . . . . . . . . . . 2 25684 3
6 2 3.338 . 127.6697003290 . . . . . . . . . . 2 25684 3
6 3 129.832 . 23.3427181778 . . . . . . . . . . 2 25684 3
7 1 10.313 . 21.1609785625 . . . . . . . . . . 2 25684 3
7 2 7.413 . 40.5149619585 . . . . . . . . . . 2 25684 3
7 3 129.832 . 23.0641563671 . . . . . . . . . . 2 25684 3
8 1 10.314 . 22.5291911579 . . . . . . . . . . 2 25684 3
8 2 8.246 . 60.1742500569 . . . . . . . . . . 2 25684 3
8 3 129.832 . 23.4842045108 . . . . . . . . . . 2 25684 3
9 1 10.020 . 27.4884836818 . . . . . . . . . . 2 25684 3
9 2 0.532 . 55.2639635880 . . . . . . . . . . 2 25684 3
9 3 129.169 . 29.4100347658 . . . . . . . . . . 2 25684 3
10 1 10.019 . 28.8355752124 . . . . . . . . . . 2 25684 3
10 2 3.138 . 190.0148863140 . . . . . . . . . . 2 25684 3
10 3 129.169 . 28.4610229234 . . . . . . . . . . 2 25684 3
11 1 10.019 . 28.6641120805 . . . . . . . . . . 2 25684 3
11 2 3.253 . 157.2968261670 . . . . . . . . . . 2 25684 3
11 3 129.169 . 28.2605799163 . . . . . . . . . . 2 25684 3
12 1 10.019 . 27.7096727849 . . . . . . . . . . 2 25684 3
12 2 6.966 . 56.3617557520 . . . . . . . . . . 2 25684 3
12 3 129.169 . 27.8105229884 . . . . . . . . . . 2 25684 3
13 1 10.019 . 27.2628042735 . . . . . . . . . . 2 25684 3
13 2 7.221 . 44.9319050830 . . . . . . . . . . 2 25684 3
13 3 129.169 . 27.5915473451 . . . . . . . . . . 2 25684 3
14 1 10.020 . 26.7123261295 . . . . . . . . . . 2 25684 3
14 2 7.328 . 44.2872931353 . . . . . . . . . . 2 25684 3
14 3 129.169 . 27.5031629577 . . . . . . . . . . 2 25684 3
15 1 10.016 . 31.4875161442 . . . . . . . . . . 2 25684 3
15 2 8.279 . 79.5004719665 . . . . . . . . . . 2 25684 3
15 3 129.169 . 27.1952658768 . . . . . . . . . . 2 25684 3
16 1 10.015 . 27.4630386195 . . . . . . . . . . 2 25684 3
16 2 7.741 . 68.4139472261 . . . . . . . . . . 2 25684 3
16 3 129.169 . 26.9455991313 . . . . . . . . . . 2 25684 3
17 1 10.314 . 18.7787885521 . . . . . . . . . . 2 25684 3
17 2 8.477 . 47.8130151995 . . . . . . . . . . 2 25684 3
17 3 129.869 . 20.8365599004 . . . . . . . . . . 2 25684 3
18 1 10.314 . 22.3442571107 . . . . . . . . . . 2 25684 3
18 2 3.998 . 63.9271878231 . . . . . . . . . . 2 25684 3
18 3 129.879 . 23.8099827245 . . . . . . . . . . 2 25684 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 . . 10.314 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 3
1 2 1 . . 0.531 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 3
1 3 1 . . 129.832 . . 4 . 1 1 17 TRP NE1 . . . . . . . . . . 321 . 25684 3
2 1 1 . . 10.313 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 3
2 2 1 . . 0.678 . . 4 . 1 1 18 LEU MD1 . . . . . . . . . . 289 . 25684 3
2 3 1 . . 129.832 . . 4 . 1 1 17 TRP NE1 . . . . . . . . . . 321 . 25684 3
3 1 1 . . 10.313 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 3
3 2 1 . . 1.408 . . 4 . 1 1 18 LEU HB2 . . . . . . . . . . 230 . 25684 3
3 3 1 . . 129.832 . . 4 . 1 1 17 TRP NE1 . . . . . . . . . . 321 . 25684 3
4 1 1 . . 10.313 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 3
4 2 1 . . 1.462 . . 4 . 1 1 18 LEU HB3 . . . . . . . . . . 355 . 25684 3
4 3 1 . . 129.832 . . 4 . 1 1 17 TRP NE1 . . . . . . . . . . 321 . 25684 3
5 1 1 . . 10.313 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 3
5 2 1 . . 3.250 . . 4 . 1 1 17 TRP HB2 . . . . . . . . . . 228 . 25684 3
5 3 1 . . 129.832 . . 4 . 1 1 17 TRP NE1 . . . . . . . . . . 321 . 25684 3
6 1 1 . . 10.313 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 3
6 2 1 . . 3.338 . . 4 . 1 1 17 TRP HB3 . . . . . . . . . . 386 . 25684 3
6 3 1 . . 129.832 . . 4 . 1 1 17 TRP NE1 . . . . . . . . . . 321 . 25684 3
7 1 1 . . 10.313 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 3
7 2 1 . . 7.413 . . 4 . 1 1 17 TRP HD1 . . . . . . . . . . 311 . 25684 3
7 3 1 . . 129.832 . . 4 . 1 1 17 TRP NE1 . . . . . . . . . . 321 . 25684 3
8 1 1 . . 10.314 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 3
8 2 1 . . 8.246 . . 4 . 1 1 17 TRP H . . . . . . . . . . 21 . 25684 3
8 3 1 . . 129.832 . . 4 . 1 1 17 TRP NE1 . . . . . . . . . . 321 . 25684 3
9 1 1 . . 10.020 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 155 . 25684 3
9 2 1 . . 0.532 . . 4 . 1 1 18 LEU MD2 . . . . . . . . . . 381 . 25684 3
9 3 1 . . 129.169 . . 4 . 1 1 21 TRP NE1 . . . . . . . . . . 380 . 25684 3
10 1 1 . . 10.019 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 155 . 25684 3
10 2 1 . . 3.138 . . 4 . 1 1 21 TRP HB2 . . . . . . . . . . 236 . 25684 3
10 3 1 . . 129.169 . . 4 . 1 1 21 TRP NE1 . . . . . . . . . . 380 . 25684 3
11 1 1 . . 10.019 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 155 . 25684 3
11 2 1 . . 3.253 . . 4 . 1 1 21 TRP HB3 . . . . . . . . . . 237 . 25684 3
11 3 1 . . 129.169 . . 4 . 1 1 21 TRP NE1 . . . . . . . . . . 380 . 25684 3
12 1 1 . . 10.019 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 155 . 25684 3
12 2 1 . . 6.966 . . 4 . 1 1 21 TRP HH2 . . . . . . . . . . 382 . 25684 3
12 3 1 . . 129.169 . . 4 . 1 1 21 TRP NE1 . . . . . . . . . . 380 . 25684 3
13 1 1 . . 10.019 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 155 . 25684 3
13 2 1 . . 7.221 . . 4 . 1 1 21 TRP HD1 . . . . . . . . . . 363 . 25684 3
13 3 1 . . 129.169 . . 4 . 1 1 21 TRP NE1 . . . . . . . . . . 380 . 25684 3
14 1 1 . . 10.020 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 155 . 25684 3
14 2 1 . . 7.328 . . 4 . 1 1 21 TRP HZ2 . . . . . . . . . . 391 . 25684 3
14 3 1 . . 129.169 . . 4 . 1 1 21 TRP NE1 . . . . . . . . . . 380 . 25684 3
15 1 1 . . 10.016 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 155 . 25684 3
15 2 1 . . 8.279 . . 4 . 1 1 20 GLY H . . . . . . . . . . 313 . 25684 3
15 3 1 . . 129.169 . . 4 . 1 1 21 TRP NE1 . . . . . . . . . . 380 . 25684 3
16 1 1 . . 10.015 . . 4 . 1 1 21 TRP HE1 . . . . . . . . . . 155 . 25684 3
16 2 1 . . 7.741 . . 4 . 1 1 21 TRP H . . . . . . . . . . 3 . 25684 3
16 3 1 . . 129.169 . . 4 . 1 1 21 TRP NE1 . . . . . . . . . . 380 . 25684 3
17 1 1 . . 10.314 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 3
17 2 1 . . 8.477 . . 4 . 1 1 16 GLY H . . . . . . . . . . 23 . 25684 3
17 3 1 . . 129.869 . . 4 . 1 1 17 TRP NE1 . . . . . . . . . . 321 . 25684 3
18 1 1 . . 10.314 . . 4 . 1 1 17 TRP HE1 . . . . . . . . . . 310 . 25684 3
18 2 1 . . 3.998 . . 4 . 1 1 16 GLY HA3 . . . . . . . . . . 312 . 25684 3
18 3 1 . . 129.879 . . 4 . 1 1 17 TRP NE1 . . . . . . . . . . 321 . 25684 3
stop_
save_