Content for NMR-STAR saveframe, "peak_list_1_2_3_4_5_6_7_8_9_10"
save_peak_list_1_2_3_4_5_6_7_8_9_10
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10
_Spectral_peak_list.Entry_ID 18863
_Spectral_peak_list.ID 10
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $methanol_CN
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $methanol_25c
_Spectral_peak_list.Experiment_ID 18
_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 . . 4001.828 . . . . . . . 18863 10
2 . . C 13 13C . . 4250.000 . . . . . . . 18863 10
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . 18863 10
2 1.0 . . 18863 10
3 1.0 . . 18863 10
4 1.0 . . 18863 10
5 1.0 . . 18863 10
6 1.0 . . 18863 10
7 1.0 . . 18863 10
8 1.0 . . 18863 10
9 1.0 . . 18863 10
10 1.0 . . 18863 10
11 1.0 . . 18863 10
12 1.0 . . 18863 10
13 1.0 . . 18863 10
14 1.0 . . 18863 10
15 1.0 . . 18863 10
16 1.0 . . 18863 10
17 1.0 . . 18863 10
18 1.0 . . 18863 10
19 1.0 . . 18863 10
20 1.0 . . 18863 10
21 1.0 . . 18863 10
22 1.0 . . 18863 10
23 1.0 . . 18863 10
24 1.0 . . 18863 10
25 1.0 . . 18863 10
26 1.0 . . 18863 10
27 1.0 . . 18863 10
28 1.0 . . 18863 10
29 1.0 . . 18863 10
30 1.0 . . 18863 10
31 1.0 . . 18863 10
32 1.0 . . 18863 10
33 1.0 . . 18863 10
34 1.0 . . 18863 10
35 1.0 . . 18863 10
36 1.0 . . 18863 10
37 1.0 . . 18863 10
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 4360094.0000000 . height 18863 10
1 34289985.2500000 . volume 18863 10
2 -2455498.2500000 . height 18863 10
2 -19836839.2500000 . volume 18863 10
3 -5397026.5000000 . height 18863 10
3 -41356797.0000000 . volume 18863 10
4 -2003011.5000000 . height 18863 10
4 -14924733.3750000 . volume 18863 10
5 2750330.5000000 . height 18863 10
5 21202969.5000000 . volume 18863 10
6 -68478.9531250 . height 18863 10
6 -1169833.8261700 . volume 18863 10
7 44181.8710938 . height 18863 10
7 -1517963.8476600 . volume 18863 10
8 -103992.3515620 . height 18863 10
8 -943596.8867190 . volume 18863 10
9 125404.0625000 . height 18863 10
9 1659032.3007800 . volume 18863 10
10 202599.5312500 . height 18863 10
10 3045678.2343800 . volume 18863 10
11 255796.1093750 . height 18863 10
11 525379.7968750 . volume 18863 10
12 -105092.1953120 . height 18863 10
12 -267316.4687500 . volume 18863 10
13 186524.5468750 . height 18863 10
13 1286827.5820300 . volume 18863 10
14 -16604.8652344 . height 18863 10
14 -216480.5825200 . volume 18863 10
15 -224672.4375000 . height 18863 10
15 -1166827.4101600 . volume 18863 10
16 -467333.0312500 . height 18863 10
16 -1572171.3515600 . volume 18863 10
17 33462.2890625 . height 18863 10
17 18368.4306641 . volume 18863 10
18 1485452.0000000 . height 18863 10
18 11841456.5000000 . volume 18863 10
19 1868593.8750000 . height 18863 10
19 14161657.6250000 . volume 18863 10
20 10734531.0000000 . height 18863 10
20 90156054.0000000 . volume 18863 10
21 26242322.0000000 . height 18863 10
21 219458456.0000000 . volume 18863 10
22 9415615.0000000 . height 18863 10
22 89036794.5000000 . volume 18863 10
23 16310630.0000000 . height 18863 10
23 147806856.0000000 . volume 18863 10
24 1867638.2500000 . height 18863 10
24 16157126.2500000 . volume 18863 10
25 1336026.1250000 . height 18863 10
25 8150413.6250000 . volume 18863 10
26 6045692.5000000 . height 18863 10
26 54240151.5000000 . volume 18863 10
27 4363090.0000000 . height 18863 10
27 35096437.2500000 . volume 18863 10
28 6310158.5000000 . height 18863 10
28 53051154.0000000 . volume 18863 10
29 8784261.0000000 . height 18863 10
29 74977011.0000000 . volume 18863 10
30 15375540.0000000 . height 18863 10
30 139518880.0000000 . volume 18863 10
31 2225279.7500000 . height 18863 10
31 19338600.7500000 . volume 18863 10
32 2055755.2500000 . height 18863 10
32 17647068.1250000 . volume 18863 10
33 1528314.2500000 . height 18863 10
33 15004019.6250000 . volume 18863 10
34 1051102.3750000 . height 18863 10
34 8363381.1562500 . volume 18863 10
35 921645.2500000 . height 18863 10
35 8368531.6875000 . volume 18863 10
36 1029411.6250000 . height 18863 10
36 7959746.6875000 . volume 18863 10
37 977135.9375000 . height 18863 10
37 7480968.0000000 . volume 18863 10
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 7.230 . . . . . . . . . . . . 8 18863 10
1 2 115.236 . . . . . . . . . . . . 8 18863 10
2 1 7.351 . . . . . . . . . . . . 8 18863 10
2 2 121.202 . . . . . . . . . . . . 8 18863 10
3 1 7.075 . . . . . . . . . . . . 8 18863 10
3 2 127.438 . . . . . . . . . . . . 8 18863 10
4 1 6.643 . . . . . . . . . . . . 8 18863 10
4 2 127.444 . . . . . . . . . . . . 8 18863 10
5 1 8.599 . . . . . . . . . . . . 8 18863 10
5 2 138.016 . . . . . . . . . . . . 8 18863 10
18 1 7.117 . . . . . . . . . . . . 8 18863 10
18 2 132.008 . . . . . . . . . . . . 8 18863 10
19 1 7.062 . . . . . . . . . . . . 8 18863 10
19 2 133.122 . . . . . . . . . . . . 8 18863 10
20 1 6.943 . . . . . . . . . . . . 8 18863 10
20 2 134.007 . . . . . . . . . . . . 8 18863 10
21 1 6.588 . . . . . . . . . . . . 8 18863 10
21 2 118.914 . . . . . . . . . . . . 8 18863 10
22 1 6.973 . . . . . . . . . . . . 8 18863 10
22 2 133.968 . . . . . . . . . . . . 8 18863 10
23 1 6.570 . . . . . . . . . . . . 8 18863 10
23 2 118.912 . . . . . . . . . . . . 8 18863 10
24 1 6.825 . . . . . . . . . . . . 8 18863 10
24 2 132.977 . . . . . . . . . . . . 8 18863 10
25 1 6.981 . . . . . . . . . . . . 8 18863 10
25 2 131.976 . . . . . . . . . . . . 8 18863 10
26 1 6.923 . . . . . . . . . . . . 8 18863 10
26 2 134.004 . . . . . . . . . . . . 8 18863 10
27 1 7.098 . . . . . . . . . . . . 8 18863 10
27 2 134.264 . . . . . . . . . . . . 8 18863 10
28 1 6.638 . . . . . . . . . . . . 8 18863 10
28 2 119.025 . . . . . . . . . . . . 8 18863 10
29 1 6.896 . . . . . . . . . . . . 8 18863 10
29 2 133.998 . . . . . . . . . . . . 8 18863 10
30 1 6.573 . . . . . . . . . . . . 8 18863 10
30 2 118.841 . . . . . . . . . . . . 8 18863 10
31 1 7.213 . . . . . . . . . . . . 8 18863 10
31 2 115.189 . . . . . . . . . . . . 8 18863 10
32 1 6.984 . . . . . . . . . . . . 8 18863 10
32 2 125.301 . . . . . . . . . . . . 8 18863 10
33 1 6.967 . . . . . . . . . . . . 8 18863 10
33 2 125.249 . . . . . . . . . . . . 8 18863 10
34 1 6.876 . . . . . . . . . . . . 8 18863 10
34 2 122.606 . . . . . . . . . . . . 8 18863 10
35 1 6.854 . . . . . . . . . . . . 8 18863 10
35 2 122.671 . . . . . . . . . . . . 8 18863 10
36 1 7.105 . . . . . . . . . . . . 8 18863 10
36 2 133.141 . . . . . . . . . . . . 8 18863 10
37 1 7.019 . . . . . . . . . . . . 8 18863 10
37 2 133.020 . . . . . . . . . . . . 8 18863 10
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 . . 7.230 . . 1 . 1 1 67 TRP HZ2 . . . . . . . . . . 730 . 18863 10
1 2 1 . . 115.236 . . 1 . 1 1 67 TRP CZ2 . . . . . . . . . . 731 . 18863 10
2 1 1 . . 7.351 . . 1 . 1 1 36 HIS HD2 . . . . . . . . . . 477 . 18863 10
2 2 1 . . 121.202 . . 1 . 1 1 36 HIS CD2 . . . . . . . . . . 478 . 18863 10
3 1 1 . . 7.075 . . 1 . 1 1 67 TRP HD1 . . . . . . . . . . 483 . 18863 10
3 2 1 . . 127.438 . . 1 . 1 1 67 TRP CD1 . . . . . . . . . . 484 . 18863 10
4 1 1 . . 6.643 . . 1 . 1 1 49 TRP HD1 . . . . . . . . . . 481 . 18863 10
4 2 1 . . 127.444 . . 1 . 1 1 49 TRP CD1 . . . . . . . . . . 482 . 18863 10
5 1 1 . . 8.599 . . 1 . 1 1 36 HIS HE1 . . . . . . . . . . 479 . 18863 10
5 2 1 . . 138.016 . . 1 . 1 1 36 HIS CE1 . . . . . . . . . . 480 . 18863 10
18 1 1 . . 7.117 . . 1 . 1 1 41 PHE QD . . . . . . . . . . 625 . 18863 10
18 2 1 . . 132.008 . . 1 . 1 1 41 PHE CD1 . . . . . . . . . . 626 . 18863 10
19 1 1 . . 7.062 . . 1 . 1 1 41 PHE QE . . . . . . . . . . 627 . 18863 10
19 2 1 . . 133.122 . . 1 . 1 1 41 PHE CE1 . . . . . . . . . . 628 . 18863 10
20 1 1 . . 6.943 . . 1 . 1 1 50 TYR QD . . . . . . . . . . 633 . 18863 10
20 2 1 . . 134.007 . . 1 . 1 1 50 TYR CD1 . . . . . . . . . . 634 . 18863 10
21 1 1 . . 6.588 . . 1 . 1 1 50 TYR QE . . . . . . . . . . 635 . 18863 10
21 2 1 . . 118.914 . . 1 . 1 1 50 TYR CE1 . . . . . . . . . . 636 . 18863 10
22 1 1 . . 6.973 . . 1 . 1 1 61 TYR QD . . . . . . . . . . 665 . 18863 10
22 2 1 . . 133.968 . . 1 . 1 1 61 TYR CD1 . . . . . . . . . . 666 . 18863 10
23 1 1 . . 6.570 . . 1 . 1 1 61 TYR QE . . . . . . . . . . 667 . 18863 10
23 2 1 . . 118.912 . . 1 . 1 1 61 TYR CE1 . . . . . . . . . . 668 . 18863 10
24 1 1 . . 6.825 . . 1 . 1 1 63 PHE QD . . . . . . . . . . 670 . 18863 10
24 2 1 . . 132.977 . . 1 . 1 1 63 PHE CD1 . . . . . . . . . . 671 . 18863 10
25 1 1 . . 6.981 . . 1 . 1 1 63 PHE QE . . . . . . . . . . 672 . 18863 10
25 2 1 . . 131.976 . . 1 . 1 1 63 PHE CE1 . . . . . . . . . . 673 . 18863 10
26 1 1 . . 6.923 . . 1 . 1 1 63 PHE HZ . . . . . . . . . . 674 . 18863 10
26 2 1 . . 134.004 . . 1 . 1 1 63 PHE CZ . . . . . . . . . . 675 . 18863 10
27 1 1 . . 7.098 . . 1 . 1 1 64 TYR QD . . . . . . . . . . 678 . 18863 10
27 2 1 . . 134.264 . . 1 . 1 1 64 TYR CD1 . . . . . . . . . . 679 . 18863 10
28 1 1 . . 6.638 . . 1 . 1 1 64 TYR QE . . . . . . . . . . 680 . 18863 10
28 2 1 . . 119.025 . . 1 . 1 1 64 TYR CE1 . . . . . . . . . . 681 . 18863 10
29 1 1 . . 6.896 . . 1 . 1 1 81 TYR QD . . . . . . . . . . 722 . 18863 10
29 2 1 . . 133.998 . . 1 . 1 1 81 TYR CD1 . . . . . . . . . . 723 . 18863 10
30 1 1 . . 6.573 . . 1 . 1 1 81 TYR QE . . . . . . . . . . 724 . 18863 10
30 2 1 . . 118.841 . . 1 . 1 1 81 TYR CE1 . . . . . . . . . . 725 . 18863 10
31 1 1 . . 7.213 . . 1 . 1 1 49 TRP HZ2 . . . . . . . . . . 732 . 18863 10
31 2 1 . . 115.189 . . 1 . 1 1 49 TRP CZ2 . . . . . . . . . . 733 . 18863 10
32 1 1 . . 6.984 . . 1 . 1 1 67 TRP HH2 . . . . . . . . . . 734 . 18863 10
32 2 1 . . 125.301 . . 1 . 1 1 67 TRP CH2 . . . . . . . . . . 735 . 18863 10
33 1 1 . . 6.967 . . 1 . 1 1 49 TRP HH2 . . . . . . . . . . 736 . 18863 10
33 2 1 . . 125.249 . . 1 . 1 1 49 TRP CH2 . . . . . . . . . . 737 . 18863 10
34 1 1 . . 6.876 . . 1 . 1 1 49 TRP HZ3 . . . . . . . . . . 738 . 18863 10
34 2 1 . . 122.606 . . 1 . 1 1 49 TRP CZ3 . . . . . . . . . . 739 . 18863 10
35 1 1 . . 6.854 . . 1 . 1 1 67 TRP HZ3 . . . . . . . . . . 740 . 18863 10
35 2 1 . . 122.671 . . 1 . 1 1 67 TRP CZ3 . . . . . . . . . . 741 . 18863 10
36 1 2 . . 7.105 . . 1 . 1 1 45 PHE QD . . . . . . . . . . 755 . 18863 10
36 2 1 . . 133.141 . . 1 . 1 1 45 PHE CD1 . . . . . . . . . . 757 . 18863 10
37 1 1 . . 7.019 . . 1 . 1 1 45 PHE QE . . . . . . . . . . 756 . 18863 10
37 2 1 . . 133.020 . . 1 . 1 1 45 PHE CE1 . . . . . . . . . . 758 . 18863 10
stop_
save_