Content for NMR-STAR saveframe, spectral_peak_list_6
save_spectral_peak_list_6
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_6
_Spectral_peak_list.Entry_ID 51945
_Spectral_peak_list.ID 6
_Spectral_peak_list.Name 'peak list 6 PHD hncaco poly scrub'
_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.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 6
_Spectral_peak_list.Experiment_name '3D HN(CA)CO'
_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 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_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 . . N 15 N* . 'not observed' 1938.61 Hz . . . . . . 51945 6
2 . . C 13 C* . 'not observed' 2812.456 Hz . . . . . . 51945 6
3 . . H 1 H* . 'not observed' 9765.625 Hz . . . . . . 51945 6
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
3 $software_3 . . 51945 6
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 13613.402000 . height 51945 6
2 19346.545000 . height 51945 6
3 7288.639000 . height 51945 6
4 6321.651000 . height 51945 6
5 6375.951000 . height 51945 6
6 7448.477000 . height 51945 6
7 6814.901000 . height 51945 6
8 17247.957000 . height 51945 6
9 28364.055000 . height 51945 6
10 11447.290000 . height 51945 6
11 8475.922000 . height 51945 6
12 10549.758000 . height 51945 6
13 7943.282000 . height 51945 6
14 13303.779000 . height 51945 6
15 7911.549000 . height 51945 6
16 8226.353000 . height 51945 6
17 11035.060000 . height 51945 6
18 7004.232000 . height 51945 6
19 39802.270000 . height 51945 6
20 13806.515000 . height 51945 6
21 13037.682000 . height 51945 6
22 13315.946000 . height 51945 6
23 18037.281000 . height 51945 6
24 12928.753000 . height 51945 6
25 14438.603000 . height 51945 6
26 16356.645000 . height 51945 6
27 7679.132000 . height 51945 6
28 12015.886000 . height 51945 6
29 7573.593000 . height 51945 6
30 9817.829000 . height 51945 6
31 10861.152000 . height 51945 6
32 88314.422000 . height 51945 6
33 31938.996000 . height 51945 6
34 13851.065000 . height 51945 6
35 12745.560000 . height 51945 6
36 8301.459000 . height 51945 6
37 23072.043000 . height 51945 6
38 14110.348000 . height 51945 6
39 9509.417000 . height 51945 6
40 10987.850000 . height 51945 6
41 14446.852000 . height 51945 6
42 7519.869000 . height 51945 6
43 10975.446000 . height 51945 6
44 8947.838000 . height 51945 6
45 10737.400000 . height 51945 6
46 5376.984000 . height 51945 6
47 10923.282000 . height 51945 6
48 5729.029000 . height 51945 6
49 4839.735000 . height 51945 6
50 6918.701000 . height 51945 6
51 7005.366000 . height 51945 6
52 8304.935000 . height 51945 6
53 32509.088000 . height 51945 6
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 1 122.545 . . . . . . . . . . . . . 51945 6
1 2 174.871 . . . . . . . . . . . . . 51945 6
1 3 7.741 . . . . . . . . . . . . . 51945 6
2 1 122.508 . . . . . . . . . . . . . 51945 6
2 2 178.247 . . . . . . . . . . . . . 51945 6
2 3 7.738 . . . . . . . . . . . . . 51945 6
3 1 119.897 . . . . . . . . . . . . . 51945 6
3 2 178.159 . . . . . . . . . . . . . 51945 6
3 3 10.196 . . . . . . . . . . . . . 51945 6
4 1 118.135 . . . . . . . . . . . . . 51945 6
4 2 177.482 . . . . . . . . . . . . . 51945 6
4 3 8.594 . . . . . . . . . . . . . 51945 6
5 1 120.495 . . . . . . . . . . . . . 51945 6
5 2 178.563 . . . . . . . . . . . . . 51945 6
5 3 8.932 . . . . . . . . . . . . . 51945 6
6 1 121.634 . . . . . . . . . . . . . 51945 6
6 2 179.431 . . . . . . . . . . . . . 51945 6
6 3 8.918 . . . . . . . . . . . . . 51945 6
7 1 121.592 . . . . . . . . . . . . . 51945 6
7 2 177.602 . . . . . . . . . . . . . 51945 6
7 3 8.920 . . . . . . . . . . . . . 51945 6
8 1 125.611 . . . . . . . . . . . . . 51945 6
8 2 179.563 . . . . . . . . . . . . . 51945 6
8 3 8.195 . . . . . . . . . . . . . 51945 6
9 1 128.240 . . . . . . . . . . . . . 51945 6
9 2 175.321 . . . . . . . . . . . . . 51945 6
9 3 8.030 . . . . . . . . . . . . . 51945 6
10 1 120.574 . . . . . . . . . . . . . 51945 6
10 2 177.442 . . . . . . . . . . . . . 51945 6
10 3 7.548 . . . . . . . . . . . . . 51945 6
11 1 119.053 . . . . . . . . . . . . . 51945 6
11 2 179.244 . . . . . . . . . . . . . 51945 6
11 3 7.295 . . . . . . . . . . . . . 51945 6
12 1 116.961 . . . . . . . . . . . . . 51945 6
12 2 177.011 . . . . . . . . . . . . . 51945 6
12 3 7.351 . . . . . . . . . . . . . 51945 6
13 1 115.758 . . . . . . . . . . . . . 51945 6
13 2 171.720 . . . . . . . . . . . . . 51945 6
13 3 7.549 . . . . . . . . . . . . . 51945 6
14 1 116.060 . . . . . . . . . . . . . 51945 6
14 2 175.046 . . . . . . . . . . . . . 51945 6
14 3 7.655 . . . . . . . . . . . . . 51945 6
15 1 114.130 . . . . . . . . . . . . . 51945 6
15 2 176.439 . . . . . . . . . . . . . 51945 6
15 3 7.801 . . . . . . . . . . . . . 51945 6
16 1 114.350 . . . . . . . . . . . . . 51945 6
16 2 177.723 . . . . . . . . . . . . . 51945 6
16 3 7.558 . . . . . . . . . . . . . 51945 6
17 1 111.799 . . . . . . . . . . . . . 51945 6
17 2 173.302 . . . . . . . . . . . . . 51945 6
17 3 8.073 . . . . . . . . . . . . . 51945 6
18 1 111.434 . . . . . . . . . . . . . 51945 6
18 2 178.048 . . . . . . . . . . . . . 51945 6
18 3 7.788 . . . . . . . . . . . . . 51945 6
19 1 115.289 . . . . . . . . . . . . . 51945 6
19 2 174.500 . . . . . . . . . . . . . 51945 6
19 3 8.198 . . . . . . . . . . . . . 51945 6
20 1 115.231 . . . . . . . . . . . . . 51945 6
20 2 176.505 . . . . . . . . . . . . . 51945 6
20 3 8.197 . . . . . . . . . . . . . 51945 6
21 1 116.699 . . . . . . . . . . . . . 51945 6
21 2 176.590 . . . . . . . . . . . . . 51945 6
21 3 8.430 . . . . . . . . . . . . . 51945 6
22 1 118.834 . . . . . . . . . . . . . 51945 6
22 2 178.702 . . . . . . . . . . . . . 51945 6
22 3 8.345 . . . . . . . . . . . . . 51945 6
23 1 118.803 . . . . . . . . . . . . . 51945 6
23 2 178.092 . . . . . . . . . . . . . 51945 6
23 3 7.894 . . . . . . . . . . . . . 51945 6
24 1 117.589 . . . . . . . . . . . . . 51945 6
24 2 176.742 . . . . . . . . . . . . . 51945 6
24 3 7.903 . . . . . . . . . . . . . 51945 6
25 1 118.185 . . . . . . . . . . . . . 51945 6
25 2 174.091 . . . . . . . . . . . . . 51945 6
25 3 7.907 . . . . . . . . . . . . . 51945 6
26 1 119.478 . . . . . . . . . . . . . 51945 6
26 2 180.564 . . . . . . . . . . . . . 51945 6
26 3 7.786 . . . . . . . . . . . . . 51945 6
27 1 119.016 . . . . . . . . . . . . . 51945 6
27 2 176.881 . . . . . . . . . . . . . 51945 6
27 3 8.056 . . . . . . . . . . . . . 51945 6
28 1 119.574 . . . . . . . . . . . . . 51945 6
28 2 176.906 . . . . . . . . . . . . . 51945 6
28 3 8.157 . . . . . . . . . . . . . 51945 6
29 1 120.114 . . . . . . . . . . . . . 51945 6
29 2 178.077 . . . . . . . . . . . . . 51945 6
29 3 8.040 . . . . . . . . . . . . . 51945 6
30 1 120.286 . . . . . . . . . . . . . 51945 6
30 2 177.695 . . . . . . . . . . . . . 51945 6
30 3 8.528 . . . . . . . . . . . . . 51945 6
31 1 121.474 . . . . . . . . . . . . . 51945 6
31 2 177.945 . . . . . . . . . . . . . 51945 6
31 3 8.132 . . . . . . . . . . . . . 51945 6
32 1 123.116 . . . . . . . . . . . . . 51945 6
32 2 176.418 . . . . . . . . . . . . . 51945 6
32 3 8.402 . . . . . . . . . . . . . 51945 6
33 1 122.666 . . . . . . . . . . . . . 51945 6
33 2 176.119 . . . . . . . . . . . . . 51945 6
33 3 8.372 . . . . . . . . . . . . . 51945 6
34 1 121.872 . . . . . . . . . . . . . 51945 6
34 2 177.483 . . . . . . . . . . . . . 51945 6
34 3 8.633 . . . . . . . . . . . . . 51945 6
35 1 119.087 . . . . . . . . . . . . . 51945 6
35 2 179.753 . . . . . . . . . . . . . 51945 6
35 3 7.625 . . . . . . . . . . . . . 51945 6
36 1 119.178 . . . . . . . . . . . . . 51945 6
36 2 174.917 . . . . . . . . . . . . . 51945 6
36 3 7.634 . . . . . . . . . . . . . 51945 6
37 1 121.687 . . . . . . . . . . . . . 51945 6
37 2 174.020 . . . . . . . . . . . . . 51945 6
37 3 8.396 . . . . . . . . . . . . . 51945 6
38 1 118.197 . . . . . . . . . . . . . 51945 6
38 2 175.575 . . . . . . . . . . . . . 51945 6
38 3 8.385 . . . . . . . . . . . . . 51945 6
39 1 119.527 . . . . . . . . . . . . . 51945 6
39 2 179.922 . . . . . . . . . . . . . 51945 6
39 3 8.091 . . . . . . . . . . . . . 51945 6
40 1 118.007 . . . . . . . . . . . . . 51945 6
40 2 176.023 . . . . . . . . . . . . . 51945 6
40 3 8.063 . . . . . . . . . . . . . 51945 6
41 1 122.647 . . . . . . . . . . . . . 51945 6
41 2 179.345 . . . . . . . . . . . . . 51945 6
41 3 8.314 . . . . . . . . . . . . . 51945 6
42 1 118.948 . . . . . . . . . . . . . 51945 6
42 2 177.955 . . . . . . . . . . . . . 51945 6
42 3 8.062 . . . . . . . . . . . . . 51945 6
43 1 120.148 . . . . . . . . . . . . . 51945 6
43 2 179.095 . . . . . . . . . . . . . 51945 6
43 3 8.031 . . . . . . . . . . . . . 51945 6
44 1 118.146 . . . . . . . . . . . . . 51945 6
44 2 175.249 . . . . . . . . . . . . . 51945 6
44 3 8.589 . . . . . . . . . . . . . 51945 6
45 1 116.259 . . . . . . . . . . . . . 51945 6
45 2 177.588 . . . . . . . . . . . . . 51945 6
45 3 8.934 . . . . . . . . . . . . . 51945 6
46 1 117.579 . . . . . . . . . . . . . 51945 6
46 2 176.672 . . . . . . . . . . . . . 51945 6
46 3 7.445 . . . . . . . . . . . . . 51945 6
47 1 119.489 . . . . . . . . . . . . . 51945 6
47 2 179.473 . . . . . . . . . . . . . 51945 6
47 3 8.078 . . . . . . . . . . . . . 51945 6
48 1 117.776 . . . . . . . . . . . . . 51945 6
48 2 179.537 . . . . . . . . . . . . . 51945 6
48 3 7.609 . . . . . . . . . . . . . 51945 6
49 1 117.695 . . . . . . . . . . . . . 51945 6
49 2 177.227 . . . . . . . . . . . . . 51945 6
49 3 7.603 . . . . . . . . . . . . . 51945 6
50 1 121.224 . . . . . . . . . . . . . 51945 6
50 2 177.562 . . . . . . . . . . . . . 51945 6
50 3 8.627 . . . . . . . . . . . . . 51945 6
51 1 117.262 . . . . . . . . . . . . . 51945 6
51 2 178.969 . . . . . . . . . . . . . 51945 6
51 3 8.625 . . . . . . . . . . . . . 51945 6
52 1 122.046 . . . . . . . . . . . . . 51945 6
52 2 178.309 . . . . . . . . . . . . . 51945 6
52 3 8.688 . . . . . . . . . . . . . 51945 6
53 1 126.042 . . . . . . . . . . . . . 51945 6
53 2 175.309 . . . . . . . . . . . . . 51945 6
53 3 8.366 . . . . . . . . . . . . . 51945 6
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 . . . 122.545 . . . . . . 678 SER N . . . . . . . . . . . . 51945 6
1 2 . . . 174.871 . . . . . . 677 GLN C . . . . . . . . . . . . 51945 6
1 3 . . . 7.741 . . . . . . 678 SER H . . . . . . . . . . . . 51945 6
2 1 . . . 122.508 . . . . . . 678 SER N . . . . . . . . . . . . 51945 6
2 2 . . . 178.247 . . . . . . 678 SER C . . . . . . . . . . . . 51945 6
2 3 . . . 7.738 . . . . . . 678 SER H . . . . . . . . . . . . 51945 6
3 1 . . . 119.897 . . . . . . 635 GLU N . . . . . . . . . . . . 51945 6
3 2 . . . 178.159 . . . . . . 635 GLU C . . . . . . . . . . . . 51945 6
3 3 . . . 10.196 . . . . . . 635 GLU H . . . . . . . . . . . . 51945 6
4 1 . . . 118.135 . . . . . . 637 PHE N . . . . . . . . . . . . 51945 6
4 2 . . . 177.482 . . . . . . 636 ASP C . . . . . . . . . . . . 51945 6
4 3 . . . 8.594 . . . . . . 637 PHE H . . . . . . . . . . . . 51945 6
5 1 . . . 120.495 . . . . . . 597 LYS N . . . . . . . . . . . . 51945 6
5 2 . . . 178.563 . . . . . . 597 LYS C . . . . . . . . . . . . 51945 6
5 3 . . . 8.932 . . . . . . 597 LYS H . . . . . . . . . . . . 51945 6
6 1 . . . 121.634 . . . . . . 634 ALA N . . . . . . . . . . . . 51945 6
6 2 . . . 179.431 . . . . . . 634 ALA C . . . . . . . . . . . . 51945 6
6 3 . . . 8.918 . . . . . . 634 ALA H . . . . . . . . . . . . 51945 6
7 1 . . . 121.592 . . . . . . 634 ALA N . . . . . . . . . . . . 51945 6
7 2 . . . 177.602 . . . . . . 633 GLU C . . . . . . . . . . . . 51945 6
7 3 . . . 8.920 . . . . . . 634 ALA H . . . . . . . . . . . . 51945 6
8 1 . . . 125.611 . . . . . . 672 ALA N . . . . . . . . . . . . 51945 6
8 2 . . . 179.563 . . . . . . 672 ALA C . . . . . . . . . . . . 51945 6
8 3 . . . 8.195 . . . . . . 672 ALA H . . . . . . . . . . . . 51945 6
9 1 . . . 128.240 . . . . . . 606 LEU N . . . . . . . . . . . . 51945 6
9 2 . . . 175.321 . . . . . . 605 LYS C . . . . . . . . . . . . 51945 6
9 3 . . . 8.030 . . . . . . 606 LEU H . . . . . . . . . . . . 51945 6
10 1 . . . 120.574 . . . . . . 636 ASP N . . . . . . . . . . . . 51945 6
10 2 . . . 177.442 . . . . . . 636 ASP C . . . . . . . . . . . . 51945 6
10 3 . . . 7.548 . . . . . . 636 ASP H . . . . . . . . . . . . 51945 6
11 1 . . . 119.053 . . . . . . 643 ARG N . . . . . . . . . . . . 51945 6
11 2 . . . 179.244 . . . . . . 643 ARG C . . . . . . . . . . . . 51945 6
11 3 . . . 7.295 . . . . . . 643 ARG H . . . . . . . . . . . . 51945 6
12 1 . . . 116.961 . . . . . . 666 GLN N . . . . . . . . . . . . 51945 6
12 2 . . . 177.011 . . . . . . 666 GLN C . . . . . . . . . . . . 51945 6
12 3 . . . 7.351 . . . . . . 666 GLN H . . . . . . . . . . . . 51945 6
13 1 . . . 115.758 . . . . . . 668 THR N . . . . . . . . . . . . 51945 6
13 2 . . . 171.720 . . . . . . 668 THR C . . . . . . . . . . . . 51945 6
13 3 . . . 7.549 . . . . . . 668 THR H . . . . . . . . . . . . 51945 6
14 1 . . . 116.060 . . . . . . 609 SER N . . . . . . . . . . . . 51945 6
14 2 . . . 175.046 . . . . . . 609 SER C . . . . . . . . . . . . 51945 6
14 3 . . . 7.655 . . . . . . 609 SER H . . . . . . . . . . . . 51945 6
15 1 . . . 114.130 . . . . . . 645 LEU N . . . . . . . . . . . . 51945 6
15 2 . . . 176.439 . . . . . . 645 LEU C . . . . . . . . . . . . 51945 6
15 3 . . . 7.801 . . . . . . 645 LEU H . . . . . . . . . . . . 51945 6
16 1 . . . 114.350 . . . . . . 659 ARG N . . . . . . . . . . . . 51945 6
16 2 . . . 177.723 . . . . . . 659 ARG C . . . . . . . . . . . . 51945 6
16 3 . . . 7.558 . . . . . . 659 ARG H . . . . . . . . . . . . 51945 6
17 1 . . . 111.799 . . . . . . 647 SER N . . . . . . . . . . . . 51945 6
17 2 . . . 173.302 . . . . . . 647 SER C . . . . . . . . . . . . 51945 6
17 3 . . . 8.073 . . . . . . 647 SER H . . . . . . . . . . . . 51945 6
18 1 . . . 111.434 . . . . . . 608 SER N . . . . . . . . . . . . 51945 6
18 2 . . . 178.048 . . . . . . 607 ALA C . . . . . . . . . . . . 51945 6
18 3 . . . 7.788 . . . . . . 608 SER H . . . . . . . . . . . . 51945 6
19 1 . . . 115.289 . . . . . . 589 THR N . . . . . . . . . . . . 51945 6
19 2 . . . 174.500 . . . . . . 589 THR C . . . . . . . . . . . . 51945 6
19 3 . . . 8.198 . . . . . . 589 THR H . . . . . . . . . . . . 51945 6
20 1 . . . 115.231 . . . . . . 589 THR N . . . . . . . . . . . . 51945 6
20 2 . . . 176.505 . . . . . . 588 GLU C . . . . . . . . . . . . 51945 6
20 3 . . . 8.197 . . . . . . 589 THR H . . . . . . . . . . . . 51945 6
21 1 . . . 116.699 . . . . . . 629 ASP N . . . . . . . . . . . . 51945 6
21 2 . . . 176.590 . . . . . . 629 ASP C . . . . . . . . . . . . 51945 6
21 3 . . . 8.430 . . . . . . 629 ASP H . . . . . . . . . . . . 51945 6
22 1 . . . 118.834 . . . . . . 619 ASN N . . . . . . . . . . . . 51945 6
22 2 . . . 178.702 . . . . . . 619 ASN C . . . . . . . . . . . . 51945 6
22 3 . . . 8.345 . . . . . . 619 ASN H . . . . . . . . . . . . 51945 6
23 1 . . . 118.803 . . . . . . 622 GLU N . . . . . . . . . . . . 51945 6
23 2 . . . 178.092 . . . . . . 622 GLU C . . . . . . . . . . . . 51945 6
23 3 . . . 7.894 . . . . . . 622 GLU H . . . . . . . . . . . . 51945 6
24 1 . . . 117.589 . . . . . . 670 ASP N . . . . . . . . . . . . 51945 6
24 2 . . . 176.742 . . . . . . 670 ASP C . . . . . . . . . . . . 51945 6
24 3 . . . 7.903 . . . . . . 670 ASP H . . . . . . . . . . . . 51945 6
25 1 . . . 118.185 . . . . . . 646 ASN N . . . . . . . . . . . . 51945 6
25 2 . . . 174.091 . . . . . . 646 ASN C . . . . . . . . . . . . 51945 6
25 3 . . . 7.907 . . . . . . 646 ASN H . . . . . . . . . . . . 51945 6
26 1 . . . 119.478 . . . . . . 618 ALA N . . . . . . . . . . . . 51945 6
26 2 . . . 180.564 . . . . . . 618 ALA C . . . . . . . . . . . . 51945 6
26 3 . . . 7.786 . . . . . . 618 ALA H . . . . . . . . . . . . 51945 6
27 1 . . . 119.016 . . . . . . 621 LYS N . . . . . . . . . . . . 51945 6
27 2 . . . 176.881 . . . . . . 620 VAL C . . . . . . . . . . . . 51945 6
27 3 . . . 8.056 . . . . . . 621 LYS H . . . . . . . . . . . . 51945 6
28 1 . . . 119.574 . . . . . . 611 LYS N . . . . . . . . . . . . 51945 6
28 2 . . . 176.906 . . . . . . 611 LYS C . . . . . . . . . . . . 51945 6
28 3 . . . 8.157 . . . . . . 611 LYS H . . . . . . . . . . . . 51945 6
29 1 . . . 120.114 . . . . . . 623 LEU N . . . . . . . . . . . . 51945 6
29 2 . . . 178.077 . . . . . . 622 GLU C . . . . . . . . . . . . 51945 6
29 3 . . . 8.040 . . . . . . 623 LEU H . . . . . . . . . . . . 51945 6
30 1 . . . 120.286 . . . . . . 625 GLN N . . . . . . . . . . . . 51945 6
30 2 . . . 177.695 . . . . . . 625 GLN C . . . . . . . . . . . . 51945 6
30 3 . . . 8.528 . . . . . . 625 GLN H . . . . . . . . . . . . 51945 6
31 1 . . . 121.474 . . . . . . 607 ALA N . . . . . . . . . . . . 51945 6
31 2 . . . 177.945 . . . . . . 607 ALA C . . . . . . . . . . . . 51945 6
31 3 . . . 8.132 . . . . . . 607 ALA H . . . . . . . . . . . . 51945 6
32 1 . . . 123.116 . . . . . . 588 GLU N . . . . . . . . . . . . 51945 6
32 2 . . . 176.418 . . . . . . 588 GLU C . . . . . . . . . . . . 51945 6
32 3 . . . 8.402 . . . . . . 588 GLU H . . . . . . . . . . . . 51945 6
33 1 . . . 122.666 . . . . . . 590 MET N . . . . . . . . . . . . 51945 6
33 2 . . . 176.119 . . . . . . 590 MET C . . . . . . . . . . . . 51945 6
33 3 . . . 8.372 . . . . . . 590 MET H . . . . . . . . . . . . 51945 6
34 1 . . . 121.872 . . . . . . 615 GLU N . . . . . . . . . . . . 51945 6
34 2 . . . 177.483 . . . . . . 615 GLU C . . . . . . . . . . . . 51945 6
34 3 . . . 8.633 . . . . . . 615 GLU H . . . . . . . . . . . . 51945 6
35 1 . . . 119.087 . . . . . . 663 ALA N . . . . . . . . . . . . 51945 6
35 2 . . . 179.753 . . . . . . 663 ALA C . . . . . . . . . . . . 51945 6
35 3 . . . 7.625 . . . . . . 663 ALA H . . . . . . . . . . . . 51945 6
36 1 . . . 119.178 . . . . . . 677 GLN N . . . . . . . . . . . . 51945 6
36 2 . . . 174.917 . . . . . . 677 GLN C . . . . . . . . . . . . 51945 6
36 3 . . . 7.634 . . . . . . 677 GLN H . . . . . . . . . . . . 51945 6
37 1 . . . 121.687 . . . . . . 591 GLU N . . . . . . . . . . . . 51945 6
37 2 . . . 174.020 . . . . . . 591 GLU C . . . . . . . . . . . . 51945 6
37 3 . . . 8.396 . . . . . . 591 GLU H . . . . . . . . . . . . 51945 6
38 1 . . . 118.197 . . . . . . 631 LYS N . . . . . . . . . . . . 51945 6
38 2 . . . 175.575 . . . . . . 631 LYS C . . . . . . . . . . . . 51945 6
38 3 . . . 8.385 . . . . . . 631 LYS H . . . . . . . . . . . . 51945 6
39 1 . . . 119.527 . . . . . . 664 LEU N . . . . . . . . . . . . 51945 6
39 2 . . . 179.922 . . . . . . 663 ALA C . . . . . . . . . . . . 51945 6
39 3 . . . 8.091 . . . . . . 664 LEU H . . . . . . . . . . . . 51945 6
40 1 . . . 118.007 . . . . . . 612 GLN N . . . . . . . . . . . . 51945 6
40 2 . . . 176.023 . . . . . . 612 GLN C . . . . . . . . . . . . 51945 6
40 3 . . . 8.063 . . . . . . 612 GLN H . . . . . . . . . . . . 51945 6
41 1 . . . 122.647 . . . . . . 617 ALA N . . . . . . . . . . . . 51945 6
41 2 . . . 179.345 . . . . . . 617 ALA C . . . . . . . . . . . . 51945 6
41 3 . . . 8.314 . . . . . . 617 ALA H . . . . . . . . . . . . 51945 6
42 1 . . . 118.948 . . . . . . 621 LYS N . . . . . . . . . . . . 51945 6
42 2 . . . 177.955 . . . . . . 621 LYS C . . . . . . . . . . . . 51945 6
42 3 . . . 8.062 . . . . . . 621 LYS H . . . . . . . . . . . . 51945 6
43 1 . . . 120.148 . . . . . . 623 LEU N . . . . . . . . . . . . 51945 6
43 2 . . . 179.095 . . . . . . 623 LEU C . . . . . . . . . . . . 51945 6
43 3 . . . 8.031 . . . . . . 623 LEU H . . . . . . . . . . . . 51945 6
44 1 . . . 118.146 . . . . . . 637 PHE N . . . . . . . . . . . . 51945 6
44 2 . . . 175.249 . . . . . . 637 PHE C . . . . . . . . . . . . 51945 6
44 3 . . . 8.589 . . . . . . 637 PHE H . . . . . . . . . . . . 51945 6
45 1 . . . 116.259 . . . . . . 626 ASN N . . . . . . . . . . . . 51945 6
45 2 . . . 177.588 . . . . . . 626 ASN C . . . . . . . . . . . . 51945 6
45 3 . . . 8.934 . . . . . . 626 ASN H . . . . . . . . . . . . 51945 6
46 1 . . . 117.579 . . . . . . 667 LEU N . . . . . . . . . . . . 51945 6
46 2 . . . 176.672 . . . . . . 667 LEU C . . . . . . . . . . . . 51945 6
46 3 . . . 7.445 . . . . . . 667 LEU H . . . . . . . . . . . . 51945 6
47 1 . . . 119.489 . . . . . . 664 LEU N . . . . . . . . . . . . 51945 6
47 2 . . . 179.473 . . . . . . 664 LEU C . . . . . . . . . . . . 51945 6
47 3 . . . 8.078 . . . . . . 664 LEU H . . . . . . . . . . . . 51945 6
48 1 . . . 117.776 . . . . . . 674 PHE N . . . . . . . . . . . . 51945 6
48 2 . . . 179.537 . . . . . . 673 ALA C . . . . . . . . . . . . 51945 6
48 3 . . . 7.609 . . . . . . 674 PHE H . . . . . . . . . . . . 51945 6
49 1 . . . 117.695 . . . . . . 674 PHE N . . . . . . . . . . . . 51945 6
49 2 . . . 177.227 . . . . . . 674 PHE C . . . . . . . . . . . . 51945 6
49 3 . . . 7.603 . . . . . . 674 PHE H . . . . . . . . . . . . 51945 6
50 1 . . . 121.224 . . . . . . 633 GLU N . . . . . . . . . . . . 51945 6
50 2 . . . 177.562 . . . . . . 633 GLU C . . . . . . . . . . . . 51945 6
50 3 . . . 8.627 . . . . . . 633 GLU H . . . . . . . . . . . . 51945 6
51 1 . . . 117.262 . . . . . . 658 LYS N . . . . . . . . . . . . 51945 6
51 2 . . . 178.969 . . . . . . 658 LYS C . . . . . . . . . . . . 51945 6
51 3 . . . 8.625 . . . . . . 658 LYS H . . . . . . . . . . . . 51945 6
52 1 . . . 122.046 . . . . . . 641 LEU N . . . . . . . . . . . . 51945 6
52 2 . . . 178.309 . . . . . . 641 LEU C . . . . . . . . . . . . 51945 6
52 3 . . . 8.688 . . . . . . 641 LEU H . . . . . . . . . . . . 51945 6
53 1 . . . 126.042 . . . . . . 605 LYS N . . . . . . . . . . . . 51945 6
53 2 . . . 175.309 . . . . . . 605 LYS C . . . . . . . . . . . . 51945 6
53 3 . . . 8.366 . . . . . . 605 LYS H . . . . . . . . . . . . 51945 6
stop_
loop_
_Peak_row_format.Index_ID
_Peak_row_format.ID
_Peak_row_format.Peak_ID
_Peak_row_format.Volume
_Peak_row_format.Volume_uncertainty
_Peak_row_format.Height
_Peak_row_format.Height_uncertainty
_Peak_row_format.Figure_of_merit
_Peak_row_format.Restraint
_Peak_row_format.Position_1
_Peak_row_format.Position_uncertainty_1
_Peak_row_format.Position_2
_Peak_row_format.Position_uncertainty_2
_Peak_row_format.Position_3
_Peak_row_format.Position_uncertainty_3
_Peak_row_format.Position_4
_Peak_row_format.Position_uncertainty_4
_Peak_row_format.Entity_assembly_ID_1
_Peak_row_format.Entity_ID_1
_Peak_row_format.Comp_index_ID_1
_Peak_row_format.Seq_ID_1
_Peak_row_format.Comp_ID_1
_Peak_row_format.Atom_ID_1
_Peak_row_format.Ambiguity_code_1
_Peak_row_format.Ambiguity_set_ID_1
_Peak_row_format.Entity_assembly_ID_2
_Peak_row_format.Entity_ID_2
_Peak_row_format.Comp_index_ID_2
_Peak_row_format.Seq_ID_2
_Peak_row_format.Comp_ID_2
_Peak_row_format.Atom_ID_2
_Peak_row_format.Ambiguity_code_2
_Peak_row_format.Ambiguity_set_ID_2
_Peak_row_format.Entity_assembly_ID_3
_Peak_row_format.Entity_ID_3
_Peak_row_format.Comp_index_ID_3
_Peak_row_format.Seq_ID_3
_Peak_row_format.Comp_ID_3
_Peak_row_format.Atom_ID_3
_Peak_row_format.Ambiguity_code_3
_Peak_row_format.Ambiguity_set_ID_3
_Peak_row_format.Entity_assembly_ID_4
_Peak_row_format.Entity_ID_4
_Peak_row_format.Comp_index_ID_4
_Peak_row_format.Seq_ID_4
_Peak_row_format.Comp_ID_4
_Peak_row_format.Atom_ID_4
_Peak_row_format.Ambiguity_code_4
_Peak_row_format.Ambiguity_set_ID_4
_Peak_row_format.Entry_ID
_Peak_row_format.Spectral_peak_list_ID
. 1 . . . 13613.402000 . . . 122.545 . 174.871 . 7.741 . . . . . 678 . SER N . . . . 677 . GLN C . . . . 678 . SER H . . . . . . . . . . 51945 6
. 10 . . . 11447.290000 . . . 120.574 . 177.442 . 7.548 . . . . . 636 . ASP N . . . . 636 . ASP C . . . . 636 . ASP H . . . . . . . . . . 51945 6
. 11 . . . 8475.922000 . . . 119.053 . 179.244 . 7.295 . . . . . 643 . ARG N . . . . 643 . ARG C . . . . 643 . ARG H . . . . . . . . . . 51945 6
. 12 . . . 10549.758000 . . . 116.961 . 177.011 . 7.351 . . . . . 666 . GLN N . . . . 666 . GLN C . . . . 666 . GLN H . . . . . . . . . . 51945 6
. 13 . . . 7943.282000 . . . 115.758 . 171.720 . 7.549 . . . . . 668 . THR N . . . . 668 . THR C . . . . 668 . THR H . . . . . . . . . . 51945 6
. 14 . . . 13303.779000 . . . 116.060 . 175.046 . 7.655 . . . . . 609 . SER N . . . . 609 . SER C . . . . 609 . SER H . . . . . . . . . . 51945 6
. 15 . . . 7911.549000 . . . 114.130 . 176.439 . 7.801 . . . . . 645 . LEU N . . . . 645 . LEU C . . . . 645 . LEU H . . . . . . . . . . 51945 6
. 16 . . . 8226.353000 . . . 114.350 . 177.723 . 7.558 . . . . . 659 . ARG N . . . . 659 . ARG C . . . . 659 . ARG H . . . . . . . . . . 51945 6
. 17 . . . 11035.060000 . . . 111.799 . 173.302 . 8.073 . . . . . 647 . SER N . . . . 647 . SER C . . . . 647 . SER H . . . . . . . . . . 51945 6
. 18 . . . 7004.232000 . . . 111.434 . 178.048 . 7.788 . . . . . 608 . SER N . . . . 607 . ALA C . . . . 608 . SER H . . . . . . . . . . 51945 6
. 19 . . . 39802.270000 . . . 115.289 . 174.500 . 8.198 . . . . . 589 . THR N . . . . 589 . THR C . . . . 589 . THR H . . . . . . . . . . 51945 6
. 2 . . . 19346.545000 . . . 122.508 . 178.247 . 7.738 . . . . . 678 . SER N . . . . 678 . SER C . . . . 678 . SER H . . . . . . . . . . 51945 6
. 20 . . . 13806.515000 . . . 115.231 . 176.505 . 8.197 . . . . . 589 . THR N . . . . 588 . GLU C . . . . 589 . THR H . . . . . . . . . . 51945 6
. 21 . . . 13037.682000 . . . 116.699 . 176.590 . 8.430 . . . . . 629 . ASP N . . . . 629 . ASP C . . . . 629 . ASP H . . . . . . . . . . 51945 6
. 22 . . . 13315.946000 . . . 118.834 . 178.702 . 8.345 . . . . . 619 . ASN N . . . . 619 . ASN C . . . . 619 . ASN H . . . . . . . . . . 51945 6
. 23 . . . 18037.281000 . . . 118.803 . 178.092 . 7.894 . . . . . 622 . GLU N . . . . 622 . GLU C . . . . 622 . GLU H . . . . . . . . . . 51945 6
. 24 . . . 12928.753000 . . . 117.589 . 176.742 . 7.903 . . . . . 670 . ASP N . . . . 670 . ASP C . . . . 670 . ASP H . . . . . . . . . . 51945 6
. 25 . . . 14438.603000 . . . 118.185 . 174.091 . 7.907 . . . . . 646 . ASN N . . . . 646 . ASN C . . . . 646 . ASN H . . . . . . . . . . 51945 6
. 26 . . . 16356.645000 . . . 119.478 . 180.564 . 7.786 . . . . . 618 . ALA N . . . . 618 . ALA C . . . . 618 . ALA H . . . . . . . . . . 51945 6
. 27 . . . 7679.132000 . . . 119.016 . 176.881 . 8.056 . . . . . 621 . LYS N . . . . 620 . VAL C . . . . 621 . LYS H . . . . . . . . . . 51945 6
. 28 . . . 12015.886000 . . . 119.574 . 176.906 . 8.157 . . . . . 611 . LYS N . . . . 611 . LYS C . . . . 611 . LYS H . . . . . . . . . . 51945 6
. 29 . . . 7573.593000 . . . 120.114 . 178.077 . 8.040 . . . . . 623 . LEU N . . . . 622 . GLU C . . . . 623 . LEU H . . . . . . . . . . 51945 6
. 3 . . . 7288.639000 . . . 119.897 . 178.159 . 10.196 . . . . . 635 . GLU N . . . . 635 . GLU C . . . . 635 . GLU H . . . . . . . . . . 51945 6
. 30 . . . 9817.829000 . . . 120.286 . 177.695 . 8.528 . . . . . 625 . GLN N . . . . 625 . GLN C . . . . 625 . GLN H . . . . . . . . . . 51945 6
. 31 . . . 10861.152000 . . . 121.474 . 177.945 . 8.132 . . . . . 607 . ALA N . . . . 607 . ALA C . . . . 607 . ALA H . . . . . . . . . . 51945 6
. 32 . . . 88314.422000 . . . 123.116 . 176.418 . 8.402 . . . . . 588 . GLU N . . . . 588 . GLU C . . . . 588 . GLU H . . . . . . . . . . 51945 6
. 33 . . . 31938.996000 . . . 122.666 . 176.119 . 8.372 . . . . . 590 . MET N . . . . 590 . MET C . . . . 590 . MET H . . . . . . . . . . 51945 6
. 34 . . . 13851.065000 . . . 121.872 . 177.483 . 8.633 . . . . . 615 . GLU N . . . . 615 . GLU C . . . . 615 . GLU H . . . . . . . . . . 51945 6
. 35 . . . 12745.560000 . . . 119.087 . 179.753 . 7.625 . . . . . 663 . ALA N . . . . 663 . ALA C . . . . 663 . ALA H . . . . . . . . . . 51945 6
. 36 . . . 8301.459000 . . . 119.178 . 174.917 . 7.634 . . . . . 677 . GLN N . . . . 677 . GLN C . . . . 677 . GLN H . . . . . . . . . . 51945 6
. 37 . . . 23072.043000 . . . 121.687 . 174.020 . 8.396 . . . . . 591 . GLU N . . . . 591 . GLU C . . . . 591 . GLU H . . . . . . . . . . 51945 6
. 38 . . . 14110.348000 . . . 118.197 . 175.575 . 8.385 . . . . . 631 . LYS N . . . . 631 . LYS C . . . . 631 . LYS H . . . . . . . . . . 51945 6
. 39 . . . 9509.417000 . . . 119.527 . 179.922 . 8.091 . . . . . 664 . LEU N . . . . 663 . ALA C . . . . 664 . LEU H . . . . . . . . . . 51945 6
. 4 . . . 6321.651000 . . . 118.135 . 177.482 . 8.594 . . . . . 637 . PHE N . . . . 636 . ASP C . . . . 637 . PHE H . . . . . . . . . . 51945 6
. 40 . . . 10987.850000 . . . 118.007 . 176.023 . 8.063 . . . . . 612 . GLN N . . . . 612 . GLN C . . . . 612 . GLN H . . . . . . . . . . 51945 6
. 41 . . . 14446.852000 . . . 122.647 . 179.345 . 8.314 . . . . . 617 . ALA N . . . . 617 . ALA C . . . . 617 . ALA H . . . . . . . . . . 51945 6
. 42 . . . 7519.869000 . . . 118.948 . 177.955 . 8.062 . . . . . 621 . LYS N . . . . 621 . LYS C . . . . 621 . LYS H . . . . . . . . . . 51945 6
. 43 . . . 10975.446000 . . . 120.148 . 179.095 . 8.031 . . . . . 623 . LEU N . . . . 623 . LEU C . . . . 623 . LEU H . . . . . . . . . . 51945 6
. 44 . . . 8947.838000 . . . 118.146 . 175.249 . 8.589 . . . . . 637 . PHE N . . . . 637 . PHE C . . . . 637 . PHE H . . . . . . . . . . 51945 6
. 45 . . . 10737.400000 . . . 116.259 . 177.588 . 8.934 . . . . . 626 . ASN N . . . . 626 . ASN C . . . . 626 . ASN H . . . . . . . . . . 51945 6
. 46 . . . 5376.984000 . . . 117.579 . 176.672 . 7.445 . . . . . 667 . LEU N . . . . 667 . LEU C . . . . 667 . LEU H . . . . . . . . . . 51945 6
. 47 . . . 10923.282000 . . . 119.489 . 179.473 . 8.078 . . . . . 664 . LEU N . . . . 664 . LEU C . . . . 664 . LEU H . . . . . . . . . . 51945 6
. 48 . . . 5729.029000 . . . 117.776 . 179.537 . 7.609 . . . . . 674 . PHE N . . . . 673 . ALA C . . . . 674 . PHE H . . . . . . . . . . 51945 6
. 49 . . . 4839.735000 . . . 117.695 . 177.227 . 7.603 . . . . . 674 . PHE N . . . . 674 . PHE C . . . . 674 . PHE H . . . . . . . . . . 51945 6
. 5 . . . 6375.951000 . . . 120.495 . 178.563 . 8.932 . . . . . 597 . LYS N . . . . 597 . LYS C . . . . 597 . LYS H . . . . . . . . . . 51945 6
. 50 . . . 6918.701000 . . . 121.224 . 177.562 . 8.627 . . . . . 633 . GLU N . . . . 633 . GLU C . . . . 633 . GLU H . . . . . . . . . . 51945 6
. 51 . . . 7005.366000 . . . 117.262 . 178.969 . 8.625 . . . . . 658 . LYS N . . . . 658 . LYS C . . . . 658 . LYS H . . . . . . . . . . 51945 6
. 52 . . . 8304.935000 . . . 122.046 . 178.309 . 8.688 . . . . . 641 . LEU N . . . . 641 . LEU C . . . . 641 . LEU H . . . . . . . . . . 51945 6
. 53 . . . 32509.088000 . . . 126.042 . 175.309 . 8.366 . . . . . 605 . LYS N . . . . 605 . LYS C . . . . 605 . LYS H . . . . . . . . . . 51945 6
. 6 . . . 7448.477000 . . . 121.634 . 179.431 . 8.918 . . . . . 634 . ALA N . . . . 634 . ALA C . . . . 634 . ALA H . . . . . . . . . . 51945 6
. 7 . . . 6814.901000 . . . 121.592 . 177.602 . 8.920 . . . . . 634 . ALA N . . . . 633 . GLU C . . . . 634 . ALA H . . . . . . . . . . 51945 6
. 8 . . . 17247.957000 . . . 125.611 . 179.563 . 8.195 . . . . . 672 . ALA N . . . . 672 . ALA C . . . . 672 . ALA H . . . . . . . . . . 51945 6
. 9 . . . 28364.055000 . . . 128.240 . 175.321 . 8.030 . . . . . 606 . LEU N . . . . 605 . LYS C . . . . 606 . LEU H . . . . . . . . . . 51945 6
stop_
save_