Content for NMR-STAR saveframe, "peak_list_1_2_3_4_5_6_7_8"
save_peak_list_1_2_3_4_5_6_7_8
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8
_Spectral_peak_list.Entry_ID 17701
_Spectral_peak_list.ID 8
_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 7
_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 . . 2400.16625977 . . . . . . . 17701 8
2 . . C 13 13C . . 4523.70019531 . . . . . . . 17701 8
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . 17701 8
2 1.0 . . 17701 8
3 1.0 . . 17701 8
4 1.0 . . 17701 8
5 1.0 . . 17701 8
6 1.0 . . 17701 8
7 1.0 . . 17701 8
8 1.0 . . 17701 8
9 1.0 . . 17701 8
10 1.0 . . 17701 8
11 1.0 . . 17701 8
12 1.0 . . 17701 8
13 1.0 . . 17701 8
14 1.0 . . 17701 8
15 1.0 . . 17701 8
16 1.0 . . 17701 8
17 1.0 . . 17701 8
18 1.0 . . 17701 8
19 1.0 . . 17701 8
20 1.0 . . 17701 8
21 1.0 . . 17701 8
22 1.0 . . 17701 8
23 1.0 . . 17701 8
24 1.0 . . 17701 8
25 1.0 . . 17701 8
26 1.0 . . 17701 8
27 1.0 . . 17701 8
28 1.0 . . 17701 8
29 1.0 . . 17701 8
30 1.0 . . 17701 8
31 1.0 . . 17701 8
32 1.0 . . 17701 8
33 1.0 . . 17701 8
34 1.0 . . 17701 8
35 1.0 . . 17701 8
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 158077.0468750 . height 17701 8
1 1311527.0937500 . volume 17701 8
2 -63726.1914062 . height 17701 8
2 -530018.6406250 . volume 17701 8
3 -52482.5742188 . height 17701 8
3 -439976.8671880 . volume 17701 8
4 -85276.9218750 . height 17701 8
4 -718688.2500000 . volume 17701 8
5 -62064.4335938 . height 17701 8
5 -525004.2031250 . volume 17701 8
6 -181114.1093750 . height 17701 8
6 -1498709.7187500 . volume 17701 8
7 -163673.5468750 . height 17701 8
7 -1384016.9375000 . volume 17701 8
8 -46527.3085938 . height 17701 8
8 -393034.5000000 . volume 17701 8
9 -98083.0625000 . height 17701 8
9 -834488.1875000 . volume 17701 8
10 -167262.5937500 . height 17701 8
10 -1380917.4531200 . volume 17701 8
11 -594838.2500000 . height 17701 8
11 -4829256.6250000 . volume 17701 8
12 -200508.7187500 . height 17701 8
12 -1724657.7500000 . volume 17701 8
13 -181851.8906250 . height 17701 8
13 -1542952.3593800 . volume 17701 8
14 -255508.9843750 . height 17701 8
14 -2140991.8593800 . volume 17701 8
15 -37007.7382812 . height 17701 8
15 -309259.6699220 . volume 17701 8
16 -222733.7187500 . height 17701 8
16 -1842755.1406200 . volume 17701 8
17 -153591.9062500 . height 17701 8
17 -1268631.4453100 . volume 17701 8
18 115483.7031250 . height 17701 8
18 982552.6328120 . volume 17701 8
19 -224710.5937500 . height 17701 8
19 -1939789.1250000 . volume 17701 8
20 -101160.6484380 . height 17701 8
20 -878387.9843750 . volume 17701 8
21 -23436.9335938 . height 17701 8
21 -195256.8496090 . volume 17701 8
22 -267573.3750000 . height 17701 8
22 -2210606.6093800 . volume 17701 8
23 -200930.5625000 . height 17701 8
23 -1679944.3906200 . volume 17701 8
24 -182309.0312500 . height 17701 8
24 -1534590.9687500 . volume 17701 8
25 -23774.7539062 . height 17701 8
25 -200120.4628910 . volume 17701 8
26 -30107.0625000 . height 17701 8
26 -253098.7773440 . volume 17701 8
27 -48644.9882812 . height 17701 8
27 -408330.2343750 . volume 17701 8
28 58713.4882812 . height 17701 8
28 489771.1015620 . volume 17701 8
29 263457.9375000 . height 17701 8
29 2193126.3750000 . volume 17701 8
30 -415427.5937500 . height 17701 8
30 -3505543.0625000 . volume 17701 8
31 -342480.6875000 . height 17701 8
31 -2893542.4375000 . volume 17701 8
32 -139318.3750000 . height 17701 8
32 -1194533.1093800 . volume 17701 8
33 -1565582.0000000 . height 17701 8
33 -12728947.7500000 . volume 17701 8
34 -13146.5468750 . height 17701 8
34 -108745.2705080 . volume 17701 8
35 28773.2500000 . height 17701 8
35 259979.3789060 . volume 17701 8
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 7.113 . 26.6516830688 . . . . . . . . . . 1 17701 8
1 2 129.134 . 63.4097203572 . . . . . . . . . . 1 17701 8
2 1 7.040 . 27.6839408653 . . . . . . . . . . 1 17701 8
2 2 114.489 . 61.9922568205 . . . . . . . . . . 1 17701 8
3 1 6.878 . 29.1573183371 . . . . . . . . . . 1 17701 8
3 2 130.796 . 73.3234716572 . . . . . . . . . . 1 17701 8
4 1 7.201 . 31.9150399704 . . . . . . . . . . 1 17701 8
4 2 131.913 . 67.3812876319 . . . . . . . . . . 1 17701 8
5 1 6.767 . 33.3359361570 . . . . . . . . . . 1 17701 8
5 2 131.073 . 68.8397354671 . . . . . . . . . . 1 17701 8
6 1 6.579 . 25.7364698652 . . . . . . . . . . 1 17701 8
6 2 130.277 . 62.7531626794 . . . . . . . . . . 1 17701 8
7 1 6.917 . 36.9027757340 . . . . . . . . . . 1 17701 8
7 2 131.407 . 72.4559257319 . . . . . . . . . . 1 17701 8
8 1 7.051 . 30.1024848881 . . . . . . . . . . 1 17701 8
8 2 129.660 . 78.9695980521 . . . . . . . . . . 1 17701 8
9 1 6.522 . 44.4696457359 . . . . . . . . . . 1 17701 8
9 2 117.138 . 61.7905709302 . . . . . . . . . . 1 17701 8
10 1 7.339 . 23.7253794655 . . . . . . . . . . 1 17701 8
10 2 133.233 . 72.6652961782 . . . . . . . . . . 1 17701 8
11 1 6.878 . 21.0757038353 . . . . . . . . . . 1 17701 8
11 2 118.300 . 66.9386841707 . . . . . . . . . . 1 17701 8
12 1 6.975 . 62.6903424860 . . . . . . . . . . 1 17701 8
12 2 132.254 . 64.3316648498 . . . . . . . . . . 1 17701 8
13 1 7.087 . 36.6834115131 . . . . . . . . . . 1 17701 8
13 2 133.971 . 67.5212948492 . . . . . . . . . . 1 17701 8
14 1 6.818 . 32.1508911178 . . . . . . . . . . 1 17701 8
14 2 118.035 . 63.4738931404 . . . . . . . . . . 1 17701 8
15 1 6.853 . 30.5116375456 . . . . . . . . . . 1 17701 8
15 2 132.642 . 62.7545108472 . . . . . . . . . . 1 17701 8
16 1 6.639 . 26.0757733302 . . . . . . . . . . 1 17701 8
16 2 117.675 . 62.5293668386 . . . . . . . . . . 1 17701 8
17 1 6.502 . 26.6054945037 . . . . . . . . . . 1 17701 8
17 2 117.987 . 59.1624527845 . . . . . . . . . . 1 17701 8
18 1 6.200 . 37.6592865380 . . . . . . . . . . 1 17701 8
18 2 131.236 . 64.3284966557 . . . . . . . . . . 1 17701 8
19 1 7.013 . 58.5056836548 . . . . . . . . . . 1 17701 8
19 2 132.308 . 65.5735295414 . . . . . . . . . . 1 17701 8
20 1 7.041 . 61.6754525968 . . . . . . . . . . 1 17701 8
20 2 133.728 . 85.6098633207 . . . . . . . . . . 1 17701 8
21 1 7.263 . 30.9659719330 . . . . . . . . . . 1 17701 8
21 2 129.397 . 56.8392901762 . . . . . . . . . . 1 17701 8
22 1 6.837 . 27.0832378097 . . . . . . . . . . 1 17701 8
22 2 119.776 . 58.8755626945 . . . . . . . . . . 1 17701 8
23 1 6.930 . 31.6595555365 . . . . . . . . . . 1 17701 8
23 2 118.785 . 60.7195864965 . . . . . . . . . . 1 17701 8
25 1 6.191 . 32.1147709047 . . . . . . . . . . 1 17701 8
25 2 122.245 . 62.8033145185 . . . . . . . . . . 1 17701 8
26 1 6.769 . 31.5681852415 . . . . . . . . . . 1 17701 8
26 2 122.835 . 64.1474377314 . . . . . . . . . . 1 17701 8
27 1 6.598 . 32.7035177923 . . . . . . . . . . 1 17701 8
27 2 119.222 . 61.0981519912 . . . . . . . . . . 1 17701 8
28 1 7.064 . 75.2569044195 . . . . . . . . . . 1 17701 8
28 2 120.118 . 82.4075605448 . . . . . . . . . . 1 17701 8
30 1 7.734 . 31.0780452770 . . . . . . . . . . 1 17701 8
30 2 137.918 . 66.5458112462 . . . . . . . . . . 1 17701 8
31 1 7.906 . 28.4498907494 . . . . . . . . . . 1 17701 8
31 2 138.484 . 130.7264981640 . . . . . . . . . . 1 17701 8
32 1 6.886 . 46.6884588244 . . . . . . . . . . 1 17701 8
32 2 131.571 . 73.4670515190 . . . . . . . . . . 1 17701 8
33 1 8.243 . 21.4322493532 . . . . . . . . . . 1 17701 8
33 2 137.076 . 63.2312229516 . . . . . . . . . . 1 17701 8
34 1 6.505 . 28.0245028743 . . . . . . . . . . 1 17701 8
34 2 131.162 . 73.1916208546 . . . . . . . . . . 1 17701 8
35 1 7.093 . 110.2198862720 . . . . . . . . . . 1 17701 8
35 2 119.939 . 92.4826875204 . . . . . . . . . . 1 17701 8
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 . . 7.113 . . 1 . 1 1 115 TRP HD1 . . . . . . . . . . 1787 . 17701 8
1 2 1 . . 129.134 . . 1 . 1 1 115 TRP CD1 . . . . . . . . . . 1788 . 17701 8
2 1 1 . . 7.040 . . 1 . 1 1 115 TRP HZ2 . . . . . . . . . . 1789 . 17701 8
2 2 1 . . 114.489 . . 1 . 1 1 115 TRP CZ2 . . . . . . . . . . 1790 . 17701 8
3 1 1 . . 6.878 . . 1 . 1 1 98 PHE QD . . . . . . . . . . 1791 . 17701 8
3 2 1 . . 130.796 . . 1 . 1 1 98 PHE CD1 . . . . . . . . . . 1959 . 17701 8
4 1 1 . . 7.201 . . 1 . 1 1 22 PHE QD . . . . . . . . . . 1792 . 17701 8
4 2 1 . . 131.913 . . 1 . 1 1 22 PHE CD1 . . . . . . . . . . 1793 . 17701 8
5 1 1 . . 6.767 . . 1 . 1 1 22 PHE QE . . . . . . . . . . 1794 . 17701 8
5 2 1 . . 131.073 . . 1 . 1 1 22 PHE CE1 . . . . . . . . . . 1795 . 17701 8
6 1 1 . . 6.579 . . 1 . 1 1 111 PHE QD . . . . . . . . . . 1796 . 17701 8
6 2 1 . . 130.277 . . 1 . 1 1 111 PHE CD1 . . . . . . . . . . 1797 . 17701 8
7 1 1 . . 6.917 . . 1 . 1 1 111 PHE QE . . . . . . . . . . 1798 . 17701 8
7 2 1 . . 131.407 . . 1 . 1 1 111 PHE CE1 . . . . . . . . . . 1799 . 17701 8
8 1 1 . . 7.051 . . 1 . 1 1 111 PHE HZ . . . . . . . . . . 1800 . 17701 8
8 2 1 . . 129.660 . . 1 . 1 1 111 PHE CZ . . . . . . . . . . 1801 . 17701 8
9 1 1 . . 6.522 . . 1 . 1 1 82 TYR QE . . . . . . . . . . 1957 . 17701 8
9 2 1 . . 117.138 . . 1 . 1 1 82 TYR CE1 . . . . . . . . . . 1958 . 17701 8
10 1 1 . . 7.339 . . 1 . 1 1 55 TYR QD . . . . . . . . . . 1803 . 17701 8
10 2 1 . . 133.233 . . 1 . 1 1 55 TYR CD1 . . . . . . . . . . 1804 . 17701 8
11 1 1 . . 6.878 . . 1 . 1 1 55 TYR QE . . . . . . . . . . 1805 . 17701 8
11 2 1 . . 118.300 . . 1 . 1 1 55 TYR CE1 . . . . . . . . . . 1806 . 17701 8
12 1 1 . . 6.975 . . 1 . 1 1 59 TYR QD . . . . . . . . . . 1807 . 17701 8
12 2 1 . . 132.254 . . 1 . 1 1 59 TYR CD1 . . . . . . . . . . 1818 . 17701 8
13 1 1 . . 7.087 . . 1 . 1 1 99 TYR QD . . . . . . . . . . 1809 . 17701 8
13 2 1 . . 133.971 . . 1 . 1 1 99 TYR CD1 . . . . . . . . . . 1812 . 17701 8
14 1 1 . . 6.818 . . 1 . 1 1 99 TYR QE . . . . . . . . . . 1810 . 17701 8
14 2 1 . . 118.035 . . 1 . 1 1 99 TYR CE1 . . . . . . . . . . 1811 . 17701 8
15 1 1 . . 6.853 . . 1 . 1 1 114 TYR QD . . . . . . . . . . 1813 . 17701 8
15 2 1 . . 132.642 . . 1 . 1 1 114 TYR CD1 . . . . . . . . . . 1816 . 17701 8
16 1 1 . . 6.639 . . 1 . 1 1 114 TYR QE . . . . . . . . . . 1814 . 17701 8
16 2 1 . . 117.675 . . 1 . 1 1 114 TYR CE1 . . . . . . . . . . 1815 . 17701 8
17 1 1 . . 6.502 . . 1 . 1 1 123 TYR QE . . . . . . . . . . 1822 . 17701 8
17 2 1 . . 117.987 . . 1 . 1 1 123 TYR CE1 . . . . . . . . . . 1823 . 17701 8
18 1 1 . . 6.200 . . 1 . 1 1 126 HIS HD2 . . . . . . . . . . 1889 . 17701 8
18 2 1 . . 131.236 . . 1 . 1 1 126 HIS CD2 . . . . . . . . . . 1890 . 17701 8
19 1 1 . . 7.013 . . 1 . 1 1 7 TYR QD . . . . . . . . . . 1802 . 17701 8
19 2 1 . . 132.308 . . 1 . 1 1 7 TYR CD1 . . . . . . . . . . 1817 . 17701 8
20 1 1 . . 7.041 . . 1 . 1 1 82 TYR QD . . . . . . . . . . 1808 . 17701 8
20 2 1 . . 133.728 . . 1 . 1 1 82 TYR CD1 . . . . . . . . . . 1819 . 17701 8
21 1 1 . . 7.263 . . 1 . 1 1 22 PHE HZ . . . . . . . . . . 1820 . 17701 8
21 2 1 . . 129.397 . . 1 . 1 1 22 PHE CZ . . . . . . . . . . 1821 . 17701 8
22 1 1 . . 6.837 . . 1 . 1 1 59 TYR QE . . . . . . . . . . 1955 . 17701 8
22 2 1 . . 119.776 . . 1 . 1 1 59 TYR CE1 . . . . . . . . . . 1956 . 17701 8
23 1 1 . . 6.930 . . 1 . 1 1 7 TYR QE . . . . . . . . . . 1953 . 17701 8
23 2 1 . . 118.785 . . 1 . 1 1 7 TYR CE1 . . . . . . . . . . 1954 . 17701 8
25 1 1 . . 6.191 . . 1 . 1 1 115 TRP HZ3 . . . . . . . . . . 1826 . 17701 8
25 2 1 . . 122.245 . . 1 . 1 1 115 TRP CZ3 . . . . . . . . . . 1827 . 17701 8
26 1 1 . . 6.769 . . 1 . 1 1 115 TRP HH2 . . . . . . . . . . 1824 . 17701 8
26 2 1 . . 122.835 . . 1 . 1 1 115 TRP CH2 . . . . . . . . . . 1825 . 17701 8
27 1 1 . . 6.598 . . 1 . 1 1 115 TRP HE3 . . . . . . . . . . 1828 . 17701 8
27 2 1 . . 119.222 . . 1 . 1 1 115 TRP CE3 . . . . . . . . . . 1829 . 17701 8
28 1 1 . . 7.064 . . 1 . 1 1 122 HIS HD2 . . . . . . . . . . 1891 . 17701 8
28 2 1 . . 120.118 . . 1 . 1 1 122 HIS CD2 . . . . . . . . . . 1892 . 17701 8
30 1 1 . . 7.734 . . 1 . 1 1 126 HIS HE1 . . . . . . . . . . 1902 . 17701 8
30 2 1 . . 137.918 . . 1 . 1 1 126 HIS CE1 . . . . . . . . . . 1903 . 17701 8
31 1 1 . . 7.906 . . 1 . 1 1 60 HIS HE1 . . . . . . . . . . 1910 . 17701 8
31 2 1 . . 138.484 . . 1 . 1 1 60 HIS CE1 . . . . . . . . . . 1912 . 17701 8
32 1 1 . . 6.886 . . 1 . . . . . . . . . . . . . . . . 1960 . 17701 8
32 2 1 . . 131.571 . . 1 . . . . . . . . . . . . . . . . 1961 . 17701 8
33 1 2 . . 8.243 . . 1 . 1 1 146 HIS HE1 . . . . . . . . . . 1968 . 17701 8
33 2 1 . . 137.076 . . 1 . 1 1 146 HIS CE1 . . . . . . . . . . 1965 . 17701 8
34 1 1 . . 6.505 . . 1 . 1 1 123 TYR QD . . . . . . . . . . 1962 . 17701 8
34 2 1 . . 131.162 . . 1 . 1 1 123 TYR CD1 . . . . . . . . . . 1963 . 17701 8
35 1 1 . . 7.093 . . 1 . 1 1 146 HIS HD2 . . . . . . . . . . 1970 . 17701 8
35 2 1 . . 119.939 . . 1 . 1 1 146 HIS CD2 . . . . . . . . . . 1972 . 17701 8
stop_
save_