Content for NMR-STAR saveframe, "peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15_16"
save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15_16
_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_11_12_13_14_15_16
_Spectral_peak_list.Entry_ID 18225
_Spectral_peak_list.ID 16
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Experiment_ID 16
_Spectral_peak_list.Experiment_name '13CHSQC_arom*800 (H[C[caro]])'
_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 . . C 13 13C . . 8043.53906250 . . . . . . . 18225 16
2 . . H 1 1H . . 6504.04980469 . . . . . . . 18225 16
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . 18225 16
2 1.0 . . 18225 16
3 1.0 . . 18225 16
4 1.0 . . 18225 16
5 1.0 . . 18225 16
6 1.0 . . 18225 16
7 1.0 . . 18225 16
8 1.0 . . 18225 16
9 1.0 . . 18225 16
10 1.0 . . 18225 16
11 1.0 . . 18225 16
12 1.0 . . 18225 16
13 1.0 . . 18225 16
14 1.0 . . 18225 16
15 1.0 . . 18225 16
16 1.0 . . 18225 16
17 1.0 . . 18225 16
18 1.0 . . 18225 16
19 1.0 . . 18225 16
20 1.0 . . 18225 16
21 1.0 . . 18225 16
22 1.0 . . 18225 16
23 1.0 . . 18225 16
24 1.0 . . 18225 16
25 1.0 . . 18225 16
26 1.0 . . 18225 16
27 1.0 . . 18225 16
28 1.0 . . 18225 16
29 1.0 . . 18225 16
30 1.0 . . 18225 16
31 1.0 . . 18225 16
32 1.0 . . 18225 16
33 1.0 . . 18225 16
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 73517.78906250 . height 18225 16
1 461787.70312500 . volume 18225 16
2 17957.78515620 . height 18225 16
2 104802.17041000 . volume 18225 16
3 17734.75781250 . height 18225 16
3 111304.54199200 . volume 18225 16
4 12639.02734380 . height 18225 16
4 78234.28295900 . volume 18225 16
5 97089.71093750 . height 18225 16
5 635583.46093800 . volume 18225 16
6 48579.57421880 . height 18225 16
6 397081.73046900 . volume 18225 16
7 58330.92187500 . height 18225 16
7 525089.10156200 . volume 18225 16
8 14983.92285160 . height 18225 16
8 97871.52392580 . volume 18225 16
9 133885.68750000 . height 18225 16
9 972883.62500000 . volume 18225 16
10 152567.32812500 . height 18225 16
10 1040488.50000000 . volume 18225 16
11 165878.40625000 . height 18225 16
11 1094805.51562000 . volume 18225 16
12 9784.35156250 . height 18225 16
12 83539.15161130 . volume 18225 16
13 13288.70996090 . height 18225 16
13 91177.73828120 . volume 18225 16
14 42366.45312500 . height 18225 16
14 339785.20703100 . volume 18225 16
15 61432.87890620 . height 18225 16
15 372720.09179700 . volume 18225 16
16 14266.44628910 . height 18225 16
16 97128.79687500 . volume 18225 16
17 15223.10253910 . height 18225 16
17 98946.37988280 . volume 18225 16
18 8424.49023438 . height 18225 16
18 73195.52099610 . volume 18225 16
19 16051.16406250 . height 18225 16
19 112490.75585900 . volume 18225 16
20 40030.21093750 . height 18225 16
20 286805.55664100 . volume 18225 16
21 43299.79687500 . height 18225 16
21 333008.66406200 . volume 18225 16
22 44811.89453120 . height 18225 16
22 311020.15820300 . volume 18225 16
23 208095.98437500 . height 18225 16
23 1200265.65430000 . volume 18225 16
24 119879.78906200 . height 18225 16
24 829643.12500000 . volume 18225 16
25 33531.00781250 . height 18225 16
25 324379.93310500 . volume 18225 16
26 280027.87500000 . height 18225 16
26 1847445.10156000 . volume 18225 16
27 194664.23437500 . height 18225 16
27 1353789.99219000 . volume 18225 16
28 151045.92187500 . height 18225 16
28 1090763.96875000 . volume 18225 16
29 194664.23437500 . height 18225 16
29 1353789.99219000 . volume 18225 16
30 280027.87500000 . height 18225 16
30 1847445.10156000 . volume 18225 16
31 166583.43750000 . height 18225 16
31 1183855.36914000 . volume 18225 16
32 156553.18750000 . height 18225 16
32 846076.01953100 . volume 18225 16
33 194664.23437500 . height 18225 16
33 1353789.99219000 . volume 18225 16
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 1 132.924 . 152.9350645910 . . . . . . . . . . . 18225 16
1 2 6.933 . 49.5223304153 . . . . . . . . . . . 18225 16
2 1 127.019 . 145.4192443200 . . . . . . . . . . . 18225 16
2 2 7.200 . 29.5514290638 . . . . . . . . . . . 18225 16
3 1 123.812 . 150.5239996120 . . . . . . . . . . . 18225 16
3 2 7.035 . 77.0171617566 . . . . . . . . . . . 18225 16
4 1 126.891 . 152.7876391630 . . . . . . . . . . . 18225 16
4 2 7.329 . 30.0131459134 . . . . . . . . . . . 18225 16
5 1 133.032 . 155.5925577670 . . . . . . . . . . . 18225 16
5 2 7.039 . 57.8863447151 . . . . . . . . . . . 18225 16
6 1 133.257 . 297.0380275630 . . . . . . . . . . . 18225 16
6 2 7.005 . 71.4998198556 . . . . . . . . . . . 18225 16
7 1 131.666 . 305.6476726010 . . . . . . . . . . . 18225 16
7 2 7.241 . 64.6446233381 . . . . . . . . . . . 18225 16
8 1 114.407 . 168.4173714860 . . . . . . . . . . . 18225 16
8 2 7.429 . 53.8495205712 . . . . . . . . . . . 18225 16
9 1 118.028 . 179.0358378130 . . . . . . . . . . . 18225 16
9 2 6.760 . 66.4631907115 . . . . . . . . . . . 18225 16
10 1 118.118 . 157.3199523030 . . . . . . . . . . . 18225 16
10 2 6.777 . 66.1084712174 . . . . . . . . . . . 18225 16
11 1 118.172 . 157.5529563950 . . . . . . . . . . . 18225 16
11 2 6.767 . 62.5853119146 . . . . . . . . . . . 18225 16
12 1 121.063 . 247.4211005880 . . . . . . . . . . . 18225 16
12 2 7.503 . 56.3701611728 . . . . . . . . . . . 18225 16
13 1 121.126 . 200.2070882430 . . . . . . . . . . . 18225 16
13 2 6.940 . 52.3833466624 . . . . . . . . . . . 18225 16
14 1 132.166 . 310.6565414360 . . . . . . . . . . . 18225 16
14 2 6.995 . 34.1368084908 . . . . . . . . . . . 18225 16
15 1 117.974 . 155.5005067680 . . . . . . . . . . . 18225 16
15 2 6.673 . 29.7057223519 . . . . . . . . . . . 18225 16
16 1 114.458 . 170.3024992440 . . . . . . . . . . . 18225 16
16 2 7.455 . 55.3498095789 . . . . . . . . . . . 18225 16
17 1 123.860 . 162.9777327400 . . . . . . . . . . . 18225 16
17 2 7.086 . 82.0580552881 . . . . . . . . . . . 18225 16
18 1 120.798 . 303.3818756050 . . . . . . . . . . . 18225 16
18 2 6.931 . 53.9014685627 . . . . . . . . . . . 18225 16
19 1 120.664 . 181.1453398820 . . . . . . . . . . . 18225 16
19 2 7.493 . 44.9295852282 . . . . . . . . . . . 18225 16
20 1 131.429 . 263.9909996290 . . . . . . . . . . . 18225 16
20 2 7.120 . 145.0322017960 . . . . . . . . . . . 18225 16
21 1 131.070 . 304.4510096090 . . . . . . . . . . . 18225 16
21 2 7.167 . 35.6588071069 . . . . . . . . . . . 18225 16
22 1 119.963 . 156.5394365370 . . . . . . . . . . . 18225 16
22 2 7.201 . 83.6990690787 . . . . . . . . . . . 18225 16
23 1 136.560 . 160.7637144310 . . . . . . . . . . . 18225 16
23 2 8.563 . 28.4667239879 . . . . . . . . . . . 18225 16
24 1 119.999 . 149.2990501150 . . . . . . . . . . . 18225 16
24 2 7.231 . 83.0237451894 . . . . . . . . . . . 18225 16
25 1 136.445 . 304.5844116430 . . . . . . . . . . . 18225 16
25 2 8.555 . 20.1407015027 . . . . . . . . . . . 18225 16
26 1 119.880 . 196.4406681840 . . . . . . . . . . . 18225 16
26 2 7.255 . 23.2924714336 . . . . . . . . . . . 18225 16
27 1 136.486 . 168.1183255960 . . . . . . . . . . . 18225 16
27 2 8.566 . 31.1773236628 . . . . . . . . . . . 18225 16
28 1 119.985 . 152.5193967970 . . . . . . . . . . . 18225 16
28 2 7.240 . 75.8572483946 . . . . . . . . . . . 18225 16
29 1 136.468 . 168.1183255960 . . . . . . . . . . . 18225 16
29 2 8.564 . 31.1773236628 . . . . . . . . . . . 18225 16
30 1 119.907 . 196.4406681840 . . . . . . . . . . . 18225 16
30 2 7.252 . 23.2924714336 . . . . . . . . . . . 18225 16
31 1 136.503 . 149.2005267800 . . . . . . . . . . . 18225 16
31 2 8.558 . 34.8908297105 . . . . . . . . . . . 18225 16
32 1 120.379 . 141.8127149290 . . . . . . . . . . . 18225 16
32 2 7.293 . 20.7652404152 . . . . . . . . . . . 18225 16
33 1 136.516 . 168.1183255960 . . . . . . . . . . . 18225 16
33 2 8.564 . 31.1773236628 . . . . . . . . . . . 18225 16
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 . . 132.924 . . 1 . 1 1 10 TYR CD1 . . . . . . . . . . 633 . 18225 16
1 2 1 . . 6.933 . . 1 . 1 1 10 TYR QD . . . . . . . . . . 278 . 18225 16
2 1 1 . . 127.019 . . 1 . 1 1 51 TRP CD1 . . . . . . . . . . 656 . 18225 16
2 2 1 . . 7.200 . . 1 . 1 1 51 TRP HD1 . . . . . . . . . . 456 . 18225 16
3 1 1 . . 123.812 . . 1 . 1 1 24 TRP CH2 . . . . . . . . . . 642 . 18225 16
3 2 1 . . 7.035 . . 1 . 1 1 24 TRP HH2 . . . . . . . . . . 641 . 18225 16
4 1 1 . . 126.891 . . 1 . 1 1 24 TRP CD1 . . . . . . . . . . 655 . 18225 16
4 2 1 . . 7.329 . . 1 . 1 1 24 TRP HD1 . . . . . . . . . . 453 . 18225 16
5 1 1 . . 133.032 . . 1 . 1 1 11 TYR CD1 . . . . . . . . . . 636 . 18225 16
5 2 1 . . 7.039 . . 1 . 1 1 11 TYR QD . . . . . . . . . . 277 . 18225 16
6 1 1 . . 133.257 . . 1 . 1 1 21 TYR CD1 . . . . . . . . . . 660 . 18225 16
6 2 1 . . 7.005 . . 1 . 1 1 21 TYR QD . . . . . . . . . . 503 . 18225 16
7 1 1 . . 131.666 . . 1 . 1 1 7 PHE CD1 . . . . . . . . . . 658 . 18225 16
7 2 1 . . 7.241 . . 1 . 1 1 7 PHE QD . . . . . . . . . . 428 . 18225 16
8 1 1 . . 114.407 . . 1 . 1 1 24 TRP CZ2 . . . . . . . . . . 644 . 18225 16
8 2 1 . . 7.429 . . 1 . 1 1 24 TRP HZ2 . . . . . . . . . . 643 . 18225 16
9 1 1 . . 118.028 . . 1 . 1 1 11 TYR CE1 . . . . . . . . . . 638 . 18225 16
9 2 1 . . 6.760 . . 1 . 1 1 11 TYR QE . . . . . . . . . . 637 . 18225 16
10 1 1 . . 118.118 . . 1 . 1 1 21 TYR CE1 . . . . . . . . . . 661 . 18225 16
10 2 1 . . 6.777 . . 1 . 1 1 21 TYR QE . . . . . . . . . . 507 . 18225 16
11 1 1 . . 118.172 . . 1 . 1 1 10 TYR CE1 . . . . . . . . . . 635 . 18225 16
11 2 1 . . 6.767 . . 1 . 1 1 10 TYR QE . . . . . . . . . . 634 . 18225 16
12 1 1 . . 121.063 . . 1 . 1 1 24 TRP CE3 . . . . . . . . . . 649 . 18225 16
12 2 1 . . 7.503 . . 1 . 1 1 24 TRP HE3 . . . . . . . . . . 455 . 18225 16
13 1 1 . . 121.126 . . 1 . 1 1 24 TRP CZ3 . . . . . . . . . . 640 . 18225 16
13 2 1 . . 6.940 . . 1 . 1 1 24 TRP HZ3 . . . . . . . . . . 639 . 18225 16
14 1 1 . . 132.166 . . 1 . 1 1 35 TYR CD1 . . . . . . . . . . 628 . 18225 16
14 2 1 . . 6.995 . . 1 . 1 1 35 TYR QD . . . . . . . . . . 592 . 18225 16
15 1 1 . . 117.974 . . 1 . 1 1 35 TYR CE1 . . . . . . . . . . 630 . 18225 16
15 2 1 . . 6.673 . . 1 . 1 1 35 TYR QE . . . . . . . . . . 629 . 18225 16
16 1 1 . . 114.458 . . 1 . 1 1 51 TRP CZ2 . . . . . . . . . . 650 . 18225 16
16 2 1 . . 7.455 . . 1 . 1 1 51 TRP HZ2 . . . . . . . . . . 646 . 18225 16
17 1 1 . . 123.860 . . 1 . 1 1 51 TRP CH2 . . . . . . . . . . 651 . 18225 16
17 2 1 . . 7.086 . . 1 . 1 1 51 TRP HH2 . . . . . . . . . . 647 . 18225 16
18 1 1 . . 120.798 . . 1 . 1 1 51 TRP CZ3 . . . . . . . . . . 653 . 18225 16
18 2 1 . . 6.931 . . 1 . 1 1 51 TRP HZ3 . . . . . . . . . . 652 . 18225 16
19 1 1 . . 120.664 . . 1 . 1 1 51 TRP CE3 . . . . . . . . . . 654 . 18225 16
19 2 1 . . 7.493 . . 1 . 1 1 51 TRP HE3 . . . . . . . . . . 645 . 18225 16
20 1 1 . . 131.429 . . 1 . 1 1 54 PHE CD1 . . . . . . . . . . 624 . 18225 16
20 2 1 . . 7.120 . . 1 . 1 1 54 PHE QD . . . . . . . . . . 558 . 18225 16
21 1 1 . . 131.070 . . 1 . 1 1 39 PHE CD1 . . . . . . . . . . 667 . 18225 16
21 2 1 . . 7.167 . . 1 . 1 1 39 PHE QD . . . . . . . . . . 590 . 18225 16
22 1 1 . . 119.963 . . 1 . 1 1 59 HIS CD2 . . . . . . . . . . 676 . 18225 16
22 2 1 . . 7.201 . . 1 . 1 1 59 HIS HD2 . . . . . . . . . . 579 . 18225 16
23 1 1 . . 136.560 . . 1 . 1 1 59 HIS CE1 . . . . . . . . . . 677 . 18225 16
23 2 1 . . 8.563 . . 1 . 1 1 59 HIS HE1 . . . . . . . . . . 678 . 18225 16
24 1 2 . . 119.999 . . 1 . 1 1 60 HIS CD2 . . . . . . . . . . 683 . 18225 16
24 2 2 . . 7.231 . . 1 . 1 1 60 HIS HD2 . . . . . . . . . . 682 . 18225 16
25 1 1 . . 136.445 . . 1 . 1 1 60 HIS CE1 . . . . . . . . . . 685 . 18225 16
25 2 1 . . 8.555 . . 1 . 1 1 60 HIS HE1 . . . . . . . . . . 684 . 18225 16
26 1 1 . . 119.880 . . 1 . 1 1 61 HIS CD2 . . . . . . . . . . 687 . 18225 16
26 2 1 . . 7.255 . . 1 . 1 1 61 HIS HD2 . . . . . . . . . . 668 . 18225 16
27 1 1 . . 136.486 . . 1 . 1 1 61 HIS CE1 . . . . . . . . . . 688 . 18225 16
27 2 1 . . 8.566 . . 1 . 1 1 61 HIS HE1 . . . . . . . . . . 689 . 18225 16
28 1 2 . . 119.985 . . 1 . 1 1 62 HIS CD2 . . . . . . . . . . 694 . 18225 16
28 2 2 . . 7.240 . . 1 . 1 1 62 HIS HD2 . . . . . . . . . . 693 . 18225 16
29 1 1 . . 136.468 . . 1 . 1 1 62 HIS CE1 . . . . . . . . . . 695 . 18225 16
29 2 1 . . 8.564 . . 1 . 1 1 62 HIS HE1 . . . . . . . . . . 696 . 18225 16
30 1 1 . . 119.907 . . 1 . 1 1 63 HIS CD2 . . . . . . . . . . 698 . 18225 16
30 2 2 . . 7.252 . . 1 . 1 1 63 HIS HD2 . . . . . . . . . . 697 . 18225 16
31 1 1 . . 136.503 . . 1 . 1 1 63 HIS CE1 . . . . . . . . . . 699 . 18225 16
31 2 1 . . 8.558 . . 1 . 1 1 63 HIS HE1 . . . . . . . . . . 700 . 18225 16
32 1 1 . . 120.379 . . 1 . 1 1 64 HIS CD2 . . . . . . . . . . 702 . 18225 16
32 2 1 . . 7.293 . . 1 . 1 1 64 HIS HD2 . . . . . . . . . . 701 . 18225 16
33 1 1 . . 136.516 . . 1 . 1 1 64 HIS CE1 . . . . . . . . . . 704 . 18225 16
33 2 1 . . 8.564 . . 1 . 1 1 64 HIS HE1 . . . . . . . . . . 703 . 18225 16
stop_
save_