Content for NMR-STAR saveframe, spectral_peak_list_4
save_spectral_peak_list_4
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_4
_Spectral_peak_list.Entry_ID 51948
_Spectral_peak_list.ID 4
_Spectral_peak_list.Name 'peak list 4 hnco 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 4
_Spectral_peak_list.Experiment_name '3D HNCO'
_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' 2725 Hz . . . . . . 51948 4
2 . . C 13 C* . 'not observed' 3000 Hz . . . . . . 51948 4
3 . . H 1 H* . 'not observed' 6602.113 Hz . . . . . . 51948 4
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 . . 51948 4
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 40692836.000000 . height 51948 4
2 81258512.000000 . height 51948 4
3 77735752.000000 . height 51948 4
4 111077808.000000 . height 51948 4
5 119617616.000000 . height 51948 4
6 88460904.000000 . height 51948 4
7 228819000.000000 . height 51948 4
8 245560576.000000 . height 51948 4
9 195106624.000000 . height 51948 4
10 134748512.000000 . height 51948 4
11 197279328.000000 . height 51948 4
12 196793568.000000 . height 51948 4
13 165559824.000000 . height 51948 4
14 128069184.000000 . height 51948 4
15 240788576.000000 . height 51948 4
16 224599856.000000 . height 51948 4
17 114714576.000000 . height 51948 4
18 94125456.000000 . height 51948 4
19 107836664.000000 . height 51948 4
20 41356924.000000 . height 51948 4
21 158886368.000000 . height 51948 4
22 107358344.000000 . height 51948 4
23 181248624.000000 . height 51948 4
24 140409600.000000 . height 51948 4
25 85210664.000000 . height 51948 4
26 229886016.000000 . height 51948 4
27 267115344.000000 . height 51948 4
28 199761888.000000 . height 51948 4
29 208284160.000000 . height 51948 4
30 96205696.000000 . height 51948 4
31 131089040.000000 . height 51948 4
32 191505376.000000 . height 51948 4
33 154332784.000000 . height 51948 4
34 118581088.000000 . height 51948 4
35 55503160.000000 . height 51948 4
36 111819712.000000 . height 51948 4
37 183240048.000000 . height 51948 4
38 64309928.000000 . height 51948 4
39 76602672.000000 . height 51948 4
40 118768592.000000 . height 51948 4
41 134041840.000000 . height 51948 4
42 52802144.000000 . height 51948 4
43 27844674.000000 . height 51948 4
44 86612864.000000 . height 51948 4
45 77174800.000000 . height 51948 4
46 13127582.000000 . height 51948 4
47 24672920.000000 . height 51948 4
48 34736316.000000 . height 51948 4
49 26213898.000000 . height 51948 4
50 14431341.000000 . height 51948 4
51 55184512.000000 . height 51948 4
52 81368800.000000 . height 51948 4
53 44854900.000000 . height 51948 4
54 6439188.000000 . height 51948 4
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 1 110.602 . . . . . . . . . . . . . 51948 4
1 2 172.603 . . . . . . . . . . . . . 51948 4
1 3 8.390 . . . . . . . . . . . . . 51948 4
2 1 115.816 . . . . . . . . . . . . . 51948 4
2 2 171.373 . . . . . . . . . . . . . 51948 4
2 3 8.299 . . . . . . . . . . . . . 51948 4
3 1 115.847 . . . . . . . . . . . . . 51948 4
3 2 174.261 . . . . . . . . . . . . . 51948 4
3 3 8.319 . . . . . . . . . . . . . 51948 4
4 1 110.949 . . . . . . . . . . . . . 51948 4
4 2 172.384 . . . . . . . . . . . . . 51948 4
4 3 8.475 . . . . . . . . . . . . . 51948 4
5 1 113.163 . . . . . . . . . . . . . 51948 4
5 2 171.530 . . . . . . . . . . . . . 51948 4
5 3 8.011 . . . . . . . . . . . . . 51948 4
6 1 121.098 . . . . . . . . . . . . . 51948 4
6 2 171.597 . . . . . . . . . . . . . 51948 4
6 3 8.427 . . . . . . . . . . . . . 51948 4
7 1 119.653 . . . . . . . . . . . . . 51948 4
7 2 172.348 . . . . . . . . . . . . . 51948 4
7 3 7.924 . . . . . . . . . . . . . 51948 4
8 1 123.554 . . . . . . . . . . . . . 51948 4
8 2 172.797 . . . . . . . . . . . . . 51948 4
8 3 8.266 . . . . . . . . . . . . . 51948 4
9 1 123.447 . . . . . . . . . . . . . 51948 4
9 2 173.581 . . . . . . . . . . . . . 51948 4
9 3 8.205 . . . . . . . . . . . . . 51948 4
10 1 108.817 . . . . . . . . . . . . . 51948 4
10 2 175.412 . . . . . . . . . . . . . 51948 4
10 3 8.401 . . . . . . . . . . . . . 51948 4
11 1 108.989 . . . . . . . . . . . . . 51948 4
11 2 174.306 . . . . . . . . . . . . . 51948 4
11 3 8.354 . . . . . . . . . . . . . 51948 4
12 1 113.401 . . . . . . . . . . . . . 51948 4
12 2 171.809 . . . . . . . . . . . . . 51948 4
12 3 7.847 . . . . . . . . . . . . . 51948 4
13 1 124.251 . . . . . . . . . . . . . 51948 4
13 2 171.936 . . . . . . . . . . . . . 51948 4
13 3 8.171 . . . . . . . . . . . . . 51948 4
14 1 121.218 . . . . . . . . . . . . . 51948 4
14 2 174.619 . . . . . . . . . . . . . 51948 4
14 3 8.275 . . . . . . . . . . . . . 51948 4
15 1 109.897 . . . . . . . . . . . . . 51948 4
15 2 174.191 . . . . . . . . . . . . . 51948 4
15 3 8.252 . . . . . . . . . . . . . 51948 4
16 1 120.397 . . . . . . . . . . . . . 51948 4
16 2 171.299 . . . . . . . . . . . . . 51948 4
16 3 8.187 . . . . . . . . . . . . . 51948 4
17 1 120.248 . . . . . . . . . . . . . 51948 4
17 2 173.908 . . . . . . . . . . . . . 51948 4
17 3 8.220 . . . . . . . . . . . . . 51948 4
18 1 121.098 . . . . . . . . . . . . . 51948 4
18 2 174.396 . . . . . . . . . . . . . 51948 4
18 3 8.210 . . . . . . . . . . . . . 51948 4
19 1 120.731 . . . . . . . . . . . . . 51948 4
19 2 172.383 . . . . . . . . . . . . . 51948 4
19 3 8.176 . . . . . . . . . . . . . 51948 4
20 1 120.553 . . . . . . . . . . . . . 51948 4
20 2 172.303 . . . . . . . . . . . . . 51948 4
20 3 8.204 . . . . . . . . . . . . . 51948 4
21 1 119.108 . . . . . . . . . . . . . 51948 4
21 2 171.549 . . . . . . . . . . . . . 51948 4
21 3 8.078 . . . . . . . . . . . . . 51948 4
22 1 120.005 . . . . . . . . . . . . . 51948 4
22 2 173.151 . . . . . . . . . . . . . 51948 4
22 3 8.427 . . . . . . . . . . . . . 51948 4
23 1 121.309 . . . . . . . . . . . . . 51948 4
23 2 172.253 . . . . . . . . . . . . . 51948 4
23 3 8.092 . . . . . . . . . . . . . 51948 4
24 1 121.260 . . . . . . . . . . . . . 51948 4
24 2 174.970 . . . . . . . . . . . . . 51948 4
24 3 8.119 . . . . . . . . . . . . . 51948 4
25 1 124.905 . . . . . . . . . . . . . 51948 4
25 2 173.534 . . . . . . . . . . . . . 51948 4
25 3 8.425 . . . . . . . . . . . . . 51948 4
26 1 110.216 . . . . . . . . . . . . . 51948 4
26 2 174.135 . . . . . . . . . . . . . 51948 4
26 3 8.314 . . . . . . . . . . . . . 51948 4
27 1 120.416 . . . . . . . . . . . . . 51948 4
27 2 171.355 . . . . . . . . . . . . . 51948 4
27 3 8.133 . . . . . . . . . . . . . 51948 4
28 1 122.020 . . . . . . . . . . . . . 51948 4
28 2 173.690 . . . . . . . . . . . . . 51948 4
28 3 8.461 . . . . . . . . . . . . . 51948 4
29 1 123.585 . . . . . . . . . . . . . 51948 4
29 2 173.452 . . . . . . . . . . . . . 51948 4
29 3 8.176 . . . . . . . . . . . . . 51948 4
30 1 122.503 . . . . . . . . . . . . . 51948 4
30 2 174.313 . . . . . . . . . . . . . 51948 4
30 3 8.263 . . . . . . . . . . . . . 51948 4
31 1 122.078 . . . . . . . . . . . . . 51948 4
31 2 173.392 . . . . . . . . . . . . . 51948 4
31 3 8.258 . . . . . . . . . . . . . 51948 4
32 1 122.199 . . . . . . . . . . . . . 51948 4
32 2 171.644 . . . . . . . . . . . . . 51948 4
32 3 8.234 . . . . . . . . . . . . . 51948 4
33 1 124.252 . . . . . . . . . . . . . 51948 4
33 2 172.088 . . . . . . . . . . . . . 51948 4
33 3 8.213 . . . . . . . . . . . . . 51948 4
34 1 124.818 . . . . . . . . . . . . . 51948 4
34 2 173.536 . . . . . . . . . . . . . 51948 4
34 3 8.187 . . . . . . . . . . . . . 51948 4
35 1 116.250 . . . . . . . . . . . . . 51948 4
35 2 174.914 . . . . . . . . . . . . . 51948 4
35 3 8.166 . . . . . . . . . . . . . 51948 4
36 1 117.484 . . . . . . . . . . . . . 51948 4
36 2 172.028 . . . . . . . . . . . . . 51948 4
36 3 8.256 . . . . . . . . . . . . . 51948 4
37 1 120.316 . . . . . . . . . . . . . 51948 4
37 2 173.548 . . . . . . . . . . . . . 51948 4
37 3 7.830 . . . . . . . . . . . . . 51948 4
38 1 124.968 . . . . . . . . . . . . . 51948 4
38 2 173.679 . . . . . . . . . . . . . 51948 4
38 3 8.103 . . . . . . . . . . . . . 51948 4
39 1 119.342 . . . . . . . . . . . . . 51948 4
39 2 174.466 . . . . . . . . . . . . . 51948 4
39 3 8.221 . . . . . . . . . . . . . 51948 4
40 1 116.082 . . . . . . . . . . . . . 51948 4
40 2 174.767 . . . . . . . . . . . . . 51948 4
40 3 8.113 . . . . . . . . . . . . . 51948 4
41 1 122.112 . . . . . . . . . . . . . 51948 4
41 2 172.641 . . . . . . . . . . . . . 51948 4
41 3 7.883 . . . . . . . . . . . . . 51948 4
42 1 123.708 . . . . . . . . . . . . . 51948 4
42 2 175.088 . . . . . . . . . . . . . 51948 4
42 3 8.004 . . . . . . . . . . . . . 51948 4
43 1 121.324 . . . . . . . . . . . . . 51948 4
43 2 171.519 . . . . . . . . . . . . . 51948 4
43 3 7.942 . . . . . . . . . . . . . 51948 4
44 1 122.009 . . . . . . . . . . . . . 51948 4
44 2 175.226 . . . . . . . . . . . . . 51948 4
44 3 7.951 . . . . . . . . . . . . . 51948 4
45 1 112.854 . . . . . . . . . . . . . 51948 4
45 2 175.543 . . . . . . . . . . . . . 51948 4
45 3 7.907 . . . . . . . . . . . . . 51948 4
46 1 122.857 . . . . . . . . . . . . . 51948 4
46 2 173.689 . . . . . . . . . . . . . 51948 4
46 3 8.046 . . . . . . . . . . . . . 51948 4
47 1 121.101 . . . . . . . . . . . . . 51948 4
47 2 173.692 . . . . . . . . . . . . . 51948 4
47 3 8.133 . . . . . . . . . . . . . 51948 4
48 1 115.871 . . . . . . . . . . . . . 51948 4
48 2 174.046 . . . . . . . . . . . . . 51948 4
48 3 8.038 . . . . . . . . . . . . . 51948 4
49 1 122.742 . . . . . . . . . . . . . 51948 4
49 2 171.054 . . . . . . . . . . . . . 51948 4
49 3 7.824 . . . . . . . . . . . . . 51948 4
50 1 113.545 . . . . . . . . . . . . . 51948 4
50 2 174.425 . . . . . . . . . . . . . 51948 4
50 3 7.738 . . . . . . . . . . . . . 51948 4
51 1 128.774 . . . . . . . . . . . . . 51948 4
51 2 172.131 . . . . . . . . . . . . . 51948 4
51 3 7.521 . . . . . . . . . . . . . 51948 4
52 1 120.542 . . . . . . . . . . . . . 51948 4
52 2 174.304 . . . . . . . . . . . . . 51948 4
52 3 8.291 . . . . . . . . . . . . . 51948 4
53 1 123.776 . . . . . . . . . . . . . 51948 4
53 2 171.823 . . . . . . . . . . . . . 51948 4
53 3 8.076 . . . . . . . . . . . . . 51948 4
54 1 120.722 . . . . . . . . . . . . . 51948 4
54 2 174.064 . . . . . . . . . . . . . 51948 4
54 3 8.332 . . . . . . . . . . . . . 51948 4
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 . . . 110.602 . . . . . . 448 GLY N . . . . . . . . . . . . 51948 4
1 2 . . . 172.603 . . . . . . 447 HIS C . . . . . . . . . . . . 51948 4
1 3 . . . 8.390 . . . . . . 448 GLY H . . . . . . . . . . . . 51948 4
2 1 . . . 115.816 . . . . . . 449 SER N . . . . . . . . . . . . 51948 4
2 2 . . . 171.373 . . . . . . 448 GLY C . . . . . . . . . . . . 51948 4
2 3 . . . 8.299 . . . . . . 449 SER H . . . . . . . . . . . . 51948 4
3 1 . . . 115.847 . . . . . . 473 SER N . . . . . . . . . . . . 51948 4
3 2 . . . 174.261 . . . . . . 472 PRO C . . . . . . . . . . . . 51948 4
3 3 . . . 8.319 . . . . . . 473 SER H . . . . . . . . . . . . 51948 4
4 1 . . . 110.949 . . . . . . 450 GLY N . . . . . . . . . . . . 51948 4
4 2 . . . 172.384 . . . . . . 449 SER C . . . . . . . . . . . . 51948 4
4 3 . . . 8.475 . . . . . . 450 GLY H . . . . . . . . . . . . 51948 4
5 1 . . . 113.163 . . . . . . 451 THR N . . . . . . . . . . . . 51948 4
5 2 . . . 171.530 . . . . . . 450 GLY C . . . . . . . . . . . . 51948 4
5 3 . . . 8.011 . . . . . . 451 THR H . . . . . . . . . . . . 51948 4
6 1 . . . 121.098 . . . . . . 452 ASN N . . . . . . . . . . . . 51948 4
6 2 . . . 171.597 . . . . . . 451 THR C . . . . . . . . . . . . 51948 4
6 3 . . . 8.427 . . . . . . 452 ASN H . . . . . . . . . . . . 51948 4
7 1 . . . 119.653 . . . . . . 453 VAL N . . . . . . . . . . . . 51948 4
7 2 . . . 172.348 . . . . . . 452 ASN C . . . . . . . . . . . . 51948 4
7 3 . . . 7.924 . . . . . . 453 VAL H . . . . . . . . . . . . 51948 4
8 1 . . . 123.554 . . . . . . 454 ASP N . . . . . . . . . . . . 51948 4
8 2 . . . 172.797 . . . . . . 453 VAL C . . . . . . . . . . . . 51948 4
8 3 . . . 8.266 . . . . . . 454 ASP H . . . . . . . . . . . . 51948 4
9 1 . . . 123.447 . . . . . . 455 LEU N . . . . . . . . . . . . 51948 4
9 2 . . . 173.581 . . . . . . 454 ASP C . . . . . . . . . . . . 51948 4
9 3 . . . 8.205 . . . . . . 455 LEU H . . . . . . . . . . . . 51948 4
10 1 . . . 108.817 . . . . . . 456 GLY N . . . . . . . . . . . . 51948 4
10 2 . . . 175.412 . . . . . . 455 LEU C . . . . . . . . . . . . 51948 4
10 3 . . . 8.401 . . . . . . 456 GLY H . . . . . . . . . . . . 51948 4
11 1 . . . 108.989 . . . . . . 462 GLY N . . . . . . . . . . . . 51948 4
11 2 . . . 174.306 . . . . . . 461 ASP C . . . . . . . . . . . . 51948 4
11 3 . . . 8.354 . . . . . . 462 GLY H . . . . . . . . . . . . 51948 4
12 1 . . . 113.401 . . . . . . 457 THR N . . . . . . . . . . . . 51948 4
12 2 . . . 171.809 . . . . . . 456 GLY C . . . . . . . . . . . . 51948 4
12 3 . . . 7.847 . . . . . . 457 THR H . . . . . . . . . . . . 51948 4
13 1 . . . 124.251 . . . . . . 458 LEU N . . . . . . . . . . . . 51948 4
13 2 . . . 171.936 . . . . . . 457 THR C . . . . . . . . . . . . 51948 4
13 3 . . . 8.171 . . . . . . 458 LEU H . . . . . . . . . . . . 51948 4
14 1 . . . 121.218 . . . . . . 459 GLU N . . . . . . . . . . . . 51948 4
14 2 . . . 174.619 . . . . . . 458 LEU C . . . . . . . . . . . . 51948 4
14 3 . . . 8.275 . . . . . . 459 GLU H . . . . . . . . . . . . 51948 4
15 1 . . . 109.897 . . . . . . 460 GLY N . . . . . . . . . . . . 51948 4
15 2 . . . 174.191 . . . . . . 459 GLU C . . . . . . . . . . . . 51948 4
15 3 . . . 8.252 . . . . . . 460 GLY H . . . . . . . . . . . . 51948 4
16 1 . . . 120.397 . . . . . . 461 ASP N . . . . . . . . . . . . 51948 4
16 2 . . . 171.299 . . . . . . 460 GLY C . . . . . . . . . . . . 51948 4
16 3 . . . 8.187 . . . . . . 461 ASP H . . . . . . . . . . . . 51948 4
17 1 . . . 120.248 . . . . . . 486 MET N . . . . . . . . . . . . 51948 4
17 2 . . . 173.908 . . . . . . 485 ASP C . . . . . . . . . . . . 51948 4
17 3 . . . 8.220 . . . . . . 486 MET H . . . . . . . . . . . . 51948 4
18 1 . . . 121.098 . . . . . . 496 ASP N . . . . . . . . . . . . 51948 4
18 2 . . . 174.396 . . . . . . 495 LEU C . . . . . . . . . . . . 51948 4
18 3 . . . 8.210 . . . . . . 496 ASP H . . . . . . . . . . . . 51948 4
19 1 . . . 120.731 . . . . . . 485 ASP N . . . . . . . . . . . . 51948 4
19 2 . . . 172.383 . . . . . . 484 ASN C . . . . . . . . . . . . 51948 4
19 3 . . . 8.176 . . . . . . 485 ASP H . . . . . . . . . . . . 51948 4
20 1 . . . 120.553 . . . . . . 475 GLN N . . . . . . . . . . . . 51948 4
20 2 . . . 172.303 . . . . . . 474 LEU C . . . . . . . . . . . . 51948 4
20 3 . . . 8.204 . . . . . . 475 GLN H . . . . . . . . . . . . 51948 4
21 1 . . . 119.108 . . . . . . 463 MET N . . . . . . . . . . . . 51948 4
21 2 . . . 171.549 . . . . . . 462 GLY C . . . . . . . . . . . . 51948 4
21 3 . . . 8.078 . . . . . . 463 MET H . . . . . . . . . . . . 51948 4
22 1 . . . 120.005 . . . . . . 464 ASN N . . . . . . . . . . . . 51948 4
22 2 . . . 173.151 . . . . . . 463 MET C . . . . . . . . . . . . 51948 4
22 3 . . . 8.427 . . . . . . 464 ASN H . . . . . . . . . . . . 51948 4
23 1 . . . 121.309 . . . . . . 465 ILE N . . . . . . . . . . . . 51948 4
23 2 . . . 172.253 . . . . . . 464 ASN C . . . . . . . . . . . . 51948 4
23 3 . . . 8.092 . . . . . . 465 ILE H . . . . . . . . . . . . 51948 4
24 1 . . . 121.260 . . . . . . 478 LEU N . . . . . . . . . . . . 51948 4
24 2 . . . 174.970 . . . . . . 477 ALA C . . . . . . . . . . . . 51948 4
24 3 . . . 8.119 . . . . . . 478 LEU H . . . . . . . . . . . . 51948 4
25 1 . . . 124.905 . . . . . . 466 GLU N . . . . . . . . . . . . 51948 4
25 2 . . . 173.534 . . . . . . 465 ILE C . . . . . . . . . . . . 51948 4
25 3 . . . 8.425 . . . . . . 466 GLU H . . . . . . . . . . . . 51948 4
26 1 . . . 110.216 . . . . . . 467 GLY N . . . . . . . . . . . . 51948 4
26 2 . . . 174.135 . . . . . . 466 GLU C . . . . . . . . . . . . 51948 4
26 3 . . . 8.314 . . . . . . 467 GLY H . . . . . . . . . . . . 51948 4
27 1 . . . 120.416 . . . . . . 468 GLU N . . . . . . . . . . . . 51948 4
27 2 . . . 171.355 . . . . . . 467 GLY C . . . . . . . . . . . . 51948 4
27 3 . . . 8.133 . . . . . . 468 GLU H . . . . . . . . . . . . 51948 4
28 1 . . . 122.020 . . . . . . 469 GLU N . . . . . . . . . . . . 51948 4
28 2 . . . 173.690 . . . . . . 468 GLU C . . . . . . . . . . . . 51948 4
28 3 . . . 8.461 . . . . . . 469 GLU H . . . . . . . . . . . . 51948 4
29 1 . . . 123.585 . . . . . . 470 LEU N . . . . . . . . . . . . 51948 4
29 2 . . . 173.452 . . . . . . 469 GLU C . . . . . . . . . . . . 51948 4
29 3 . . . 8.176 . . . . . . 470 LEU H . . . . . . . . . . . . 51948 4
30 1 . . . 122.503 . . . . . . 471 MET N . . . . . . . . . . . . 51948 4
30 2 . . . 174.313 . . . . . . 470 LEU C . . . . . . . . . . . . 51948 4
30 3 . . . 8.263 . . . . . . 471 MET H . . . . . . . . . . . . 51948 4
31 1 . . . 122.078 . . . . . . 476 GLU N . . . . . . . . . . . . 51948 4
31 2 . . . 173.392 . . . . . . 475 GLN C . . . . . . . . . . . . 51948 4
31 3 . . . 8.258 . . . . . . 476 GLU H . . . . . . . . . . . . 51948 4
32 1 . . . 122.199 . . . . . . 481 ASP N . . . . . . . . . . . . 51948 4
32 2 . . . 171.644 . . . . . . 480 SER C . . . . . . . . . . . . 51948 4
32 3 . . . 8.234 . . . . . . 481 ASP H . . . . . . . . . . . . 51948 4
33 1 . . . 124.252 . . . . . . 474 LEU N . . . . . . . . . . . . 51948 4
33 2 . . . 172.088 . . . . . . 473 SER C . . . . . . . . . . . . 51948 4
33 3 . . . 8.213 . . . . . . 474 LEU H . . . . . . . . . . . . 51948 4
34 1 . . . 124.818 . . . . . . 477 ALA N . . . . . . . . . . . . 51948 4
34 2 . . . 173.536 . . . . . . 476 GLU C . . . . . . . . . . . . 51948 4
34 3 . . . 8.187 . . . . . . 477 ALA H . . . . . . . . . . . . 51948 4
35 1 . . . 116.250 . . . . . . 479 SER N . . . . . . . . . . . . 51948 4
35 2 . . . 174.914 . . . . . . 478 LEU C . . . . . . . . . . . . 51948 4
35 3 . . . 8.166 . . . . . . 479 SER H . . . . . . . . . . . . 51948 4
36 1 . . . 117.484 . . . . . . 480 SER N . . . . . . . . . . . . 51948 4
36 2 . . . 172.028 . . . . . . 479 SER C . . . . . . . . . . . . 51948 4
36 3 . . . 8.256 . . . . . . 480 SER H . . . . . . . . . . . . 51948 4
37 1 . . . 120.316 . . . . . . 482 ILE N . . . . . . . . . . . . 51948 4
37 2 . . . 173.548 . . . . . . 481 ASP C . . . . . . . . . . . . 51948 4
37 3 . . . 7.830 . . . . . . 482 ILE H . . . . . . . . . . . . 51948 4
38 1 . . . 124.968 . . . . . . 483 LEU N . . . . . . . . . . . . 51948 4
38 2 . . . 173.679 . . . . . . 482 ILE C . . . . . . . . . . . . 51948 4
38 3 . . . 8.103 . . . . . . 483 LEU H . . . . . . . . . . . . 51948 4
39 1 . . . 119.342 . . . . . . 484 ASN N . . . . . . . . . . . . 51948 4
39 2 . . . 174.466 . . . . . . 483 LEU C . . . . . . . . . . . . 51948 4
39 3 . . . 8.221 . . . . . . 484 ASN H . . . . . . . . . . . . 51948 4
40 1 . . . 116.082 . . . . . . 488 SER N . . . . . . . . . . . . 51948 4
40 2 . . . 174.767 . . . . . . 487 GLU C . . . . . . . . . . . . 51948 4
40 3 . . . 8.113 . . . . . . 488 SER H . . . . . . . . . . . . 51948 4
41 1 . . . 122.112 . . . . . . 489 VAL N . . . . . . . . . . . . 51948 4
41 2 . . . 172.641 . . . . . . 488 SER C . . . . . . . . . . . . 51948 4
41 3 . . . 7.883 . . . . . . 489 VAL H . . . . . . . . . . . . 51948 4
42 1 . . . 123.708 . . . . . . 491 ALA N . . . . . . . . . . . . 51948 4
42 2 . . . 175.088 . . . . . . 490 LEU C . . . . . . . . . . . . 51948 4
42 3 . . . 8.004 . . . . . . 491 ALA H . . . . . . . . . . . . 51948 4
43 1 . . . 121.324 . . . . . . 500 PHE N . . . . . . . . . . . . 51948 4
43 2 . . . 171.519 . . . . . . 499 SER C . . . . . . . . . . . . 51948 4
43 3 . . . 7.942 . . . . . . 500 PHE H . . . . . . . . . . . . 51948 4
44 1 . . . 122.009 . . . . . . 492 ALA N . . . . . . . . . . . . 51948 4
44 2 . . . 175.226 . . . . . . 491 ALA C . . . . . . . . . . . . 51948 4
44 3 . . . 7.951 . . . . . . 492 ALA H . . . . . . . . . . . . 51948 4
45 1 . . . 112.854 . . . . . . 493 THR N . . . . . . . . . . . . 51948 4
45 2 . . . 175.543 . . . . . . 492 ALA C . . . . . . . . . . . . 51948 4
45 3 . . . 7.907 . . . . . . 493 THR H . . . . . . . . . . . . 51948 4
46 1 . . . 122.857 . . . . . . 495 LEU N . . . . . . . . . . . . 51948 4
46 2 . . . 173.689 . . . . . . 494 LYS C . . . . . . . . . . . . 51948 4
46 3 . . . 8.046 . . . . . . 495 LEU H . . . . . . . . . . . . 51948 4
47 1 . . . 121.101 . . . . . . 497 LYS N . . . . . . . . . . . . 51948 4
47 2 . . . 173.692 . . . . . . 496 ASP C . . . . . . . . . . . . 51948 4
47 3 . . . 8.133 . . . . . . 497 LYS H . . . . . . . . . . . . 51948 4
48 1 . . . 115.871 . . . . . . 499 SER N . . . . . . . . . . . . 51948 4
48 2 . . . 174.046 . . . . . . 498 GLU C . . . . . . . . . . . . 51948 4
48 3 . . . 8.038 . . . . . . 499 SER H . . . . . . . . . . . . 51948 4
49 1 . . . 122.742 . . . . . . 503 TRP N . . . . . . . . . . . . 51948 4
49 2 . . . 171.054 . . . . . . 502 THR C . . . . . . . . . . . . 51948 4
49 3 . . . 7.824 . . . . . . 503 TRP H . . . . . . . . . . . . 51948 4
50 1 . . . 113.545 . . . . . . 502 THR N . . . . . . . . . . . . 51948 4
50 2 . . . 174.425 . . . . . . 501 LEU C . . . . . . . . . . . . 51948 4
50 3 . . . 7.738 . . . . . . 502 THR H . . . . . . . . . . . . 51948 4
51 1 . . . 128.774 . . . . . . 504 LEU N . . . . . . . . . . . . 51948 4
51 2 . . . 172.131 . . . . . . 503 TRP C . . . . . . . . . . . . 51948 4
51 3 . . . 7.521 . . . . . . 504 LEU H . . . . . . . . . . . . 51948 4
52 1 . . . 120.542 . . . . . . 487 GLU N . . . . . . . . . . . . 51948 4
52 2 . . . 174.304 . . . . . . 486 MET C . . . . . . . . . . . . 51948 4
52 3 . . . 8.291 . . . . . . 487 GLU H . . . . . . . . . . . . 51948 4
53 1 . . . 123.776 . . . . . . 490 LEU N . . . . . . . . . . . . 51948 4
53 2 . . . 171.823 . . . . . . 489 VAL C . . . . . . . . . . . . 51948 4
53 3 . . . 8.076 . . . . . . 490 LEU H . . . . . . . . . . . . 51948 4
54 1 . . . 120.722 . . . . . . 498 GLU N . . . . . . . . . . . . 51948 4
54 2 . . . 174.064 . . . . . . 497 LYS C . . . . . . . . . . . . 51948 4
54 3 . . . 8.332 . . . . . . 498 GLU H . . . . . . . . . . . . 51948 4
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 . . . 40692836.000000 . . . 110.602 . 172.603 . 8.390 . . . . . 448 . GLY N . . . . 447 . HIS C . . . . 448 . GLY H . . . . . . . . . . 51948 4
. 10 . . . 134748512.000000 . . . 108.817 . 175.412 . 8.401 . . . . . 456 . GLY N . . . . 455 . LEU C . . . . 456 . GLY H . . . . . . . . . . 51948 4
. 11 . . . 197279328.000000 . . . 108.989 . 174.306 . 8.354 . . . . . 462 . GLY N . . . . 461 . ASP C . . . . 462 . GLY H . . . . . . . . . . 51948 4
. 12 . . . 196793568.000000 . . . 113.401 . 171.809 . 7.847 . . . . . 457 . THR N . . . . 456 . GLY C . . . . 457 . THR H . . . . . . . . . . 51948 4
. 13 . . . 165559824.000000 . . . 124.251 . 171.936 . 8.171 . . . . . 458 . LEU N . . . . 457 . THR C . . . . 458 . LEU H . . . . . . . . . . 51948 4
. 14 . . . 128069184.000000 . . . 121.218 . 174.619 . 8.275 . . . . . 459 . GLU N . . . . 458 . LEU C . . . . 459 . GLU H . . . . . . . . . . 51948 4
. 15 . . . 240788576.000000 . . . 109.897 . 174.191 . 8.252 . . . . . 460 . GLY N . . . . 459 . GLU C . . . . 460 . GLY H . . . . . . . . . . 51948 4
. 16 . . . 224599856.000000 . . . 120.397 . 171.299 . 8.187 . . . . . 461 . ASP N . . . . 460 . GLY C . . . . 461 . ASP H . . . . . . . . . . 51948 4
. 17 . . . 114714576.000000 . . . 120.248 . 173.908 . 8.220 . . . . . 486 . MET N . . . . 485 . ASP C . . . . 486 . MET H . . . . . . . . . . 51948 4
. 18 . . . 94125456.000000 . . . 121.098 . 174.396 . 8.210 . . . . . 496 . ASP N . . . . 495 . LEU C . . . . 496 . ASP H . . . . . . . . . . 51948 4
. 19 . . . 107836664.000000 . . . 120.731 . 172.383 . 8.176 . . . . . 485 . ASP N . . . . 484 . ASN C . . . . 485 . ASP H . . . . . . . . . . 51948 4
. 2 . . . 81258512.000000 . . . 115.816 . 171.373 . 8.299 . . . . . 449 . SER N . . . . 448 . GLY C . . . . 449 . SER H . . . . . . . . . . 51948 4
. 20 . . . 41356924.000000 . . . 120.553 . 172.303 . 8.204 . . . . . 475 . GLN N . . . . 474 . LEU C . . . . 475 . GLN H . . . . . . . . . . 51948 4
. 21 . . . 158886368.000000 . . . 119.108 . 171.549 . 8.078 . . . . . 463 . MET N . . . . 462 . GLY C . . . . 463 . MET H . . . . . . . . . . 51948 4
. 22 . . . 107358344.000000 . . . 120.005 . 173.151 . 8.427 . . . . . 464 . ASN N . . . . 463 . MET C . . . . 464 . ASN H . . . . . . . . . . 51948 4
. 23 . . . 181248624.000000 . . . 121.309 . 172.253 . 8.092 . . . . . 465 . ILE N . . . . 464 . ASN C . . . . 465 . ILE H . . . . . . . . . . 51948 4
. 24 . . . 140409600.000000 . . . 121.260 . 174.970 . 8.119 . . . . . 478 . LEU N . . . . 477 . ALA C . . . . 478 . LEU H . . . . . . . . . . 51948 4
. 25 . . . 85210664.000000 . . . 124.905 . 173.534 . 8.425 . . . . . 466 . GLU N . . . . 465 . ILE C . . . . 466 . GLU H . . . . . . . . . . 51948 4
. 26 . . . 229886016.000000 . . . 110.216 . 174.135 . 8.314 . . . . . 467 . GLY N . . . . 466 . GLU C . . . . 467 . GLY H . . . . . . . . . . 51948 4
. 27 . . . 267115344.000000 . . . 120.416 . 171.355 . 8.133 . . . . . 468 . GLU N . . . . 467 . GLY C . . . . 468 . GLU H . . . . . . . . . . 51948 4
. 28 . . . 199761888.000000 . . . 122.020 . 173.690 . 8.461 . . . . . 469 . GLU N . . . . 468 . GLU C . . . . 469 . GLU H . . . . . . . . . . 51948 4
. 29 . . . 208284160.000000 . . . 123.585 . 173.452 . 8.176 . . . . . 470 . LEU N . . . . 469 . GLU C . . . . 470 . LEU H . . . . . . . . . . 51948 4
. 3 . . . 77735752.000000 . . . 115.847 . 174.261 . 8.319 . . . . . 473 . SER N . . . . 472 . PRO C . . . . 473 . SER H . . . . . . . . . . 51948 4
. 30 . . . 96205696.000000 . . . 122.503 . 174.313 . 8.263 . . . . . 471 . MET N . . . . 470 . LEU C . . . . 471 . MET H . . . . . . . . . . 51948 4
. 31 . . . 131089040.000000 . . . 122.078 . 173.392 . 8.258 . . . . . 476 . GLU N . . . . 475 . GLN C . . . . 476 . GLU H . . . . . . . . . . 51948 4
. 32 . . . 191505376.000000 . . . 122.199 . 171.644 . 8.234 . . . . . 481 . ASP N . . . . 480 . SER C . . . . 481 . ASP H . . . . . . . . . . 51948 4
. 33 . . . 154332784.000000 . . . 124.252 . 172.088 . 8.213 . . . . . 474 . LEU N . . . . 473 . SER C . . . . 474 . LEU H . . . . . . . . . . 51948 4
. 34 . . . 118581088.000000 . . . 124.818 . 173.536 . 8.187 . . . . . 477 . ALA N . . . . 476 . GLU C . . . . 477 . ALA H . . . . . . . . . . 51948 4
. 35 . . . 55503160.000000 . . . 116.250 . 174.914 . 8.166 . . . . . 479 . SER N . . . . 478 . LEU C . . . . 479 . SER H . . . . . . . . . . 51948 4
. 36 . . . 111819712.000000 . . . 117.484 . 172.028 . 8.256 . . . . . 480 . SER N . . . . 479 . SER C . . . . 480 . SER H . . . . . . . . . . 51948 4
. 37 . . . 183240048.000000 . . . 120.316 . 173.548 . 7.830 . . . . . 482 . ILE N . . . . 481 . ASP C . . . . 482 . ILE H . . . . . . . . . . 51948 4
. 38 . . . 64309928.000000 . . . 124.968 . 173.679 . 8.103 . . . . . 483 . LEU N . . . . 482 . ILE C . . . . 483 . LEU H . . . . . . . . . . 51948 4
. 39 . . . 76602672.000000 . . . 119.342 . 174.466 . 8.221 . . . . . 484 . ASN N . . . . 483 . LEU C . . . . 484 . ASN H . . . . . . . . . . 51948 4
. 4 . . . 111077808.000000 . . . 110.949 . 172.384 . 8.475 . . . . . 450 . GLY N . . . . 449 . SER C . . . . 450 . GLY H . . . . . . . . . . 51948 4
. 40 . . . 118768592.000000 . . . 116.082 . 174.767 . 8.113 . . . . . 488 . SER N . . . . 487 . GLU C . . . . 488 . SER H . . . . . . . . . . 51948 4
. 41 . . . 134041840.000000 . . . 122.112 . 172.641 . 7.883 . . . . . 489 . VAL N . . . . 488 . SER C . . . . 489 . VAL H . . . . . . . . . . 51948 4
. 42 . . . 52802144.000000 . . . 123.708 . 175.088 . 8.004 . . . . . 491 . ALA N . . . . 490 . LEU C . . . . 491 . ALA H . . . . . . . . . . 51948 4
. 43 . . . 27844674.000000 . . . 121.324 . 171.519 . 7.942 . . . . . 500 . PHE N . . . . 499 . SER C . . . . 500 . PHE H . . . . . . . . . . 51948 4
. 44 . . . 86612864.000000 . . . 122.009 . 175.226 . 7.951 . . . . . 492 . ALA N . . . . 491 . ALA C . . . . 492 . ALA H . . . . . . . . . . 51948 4
. 45 . . . 77174800.000000 . . . 112.854 . 175.543 . 7.907 . . . . . 493 . THR N . . . . 492 . ALA C . . . . 493 . THR H . . . . . . . . . . 51948 4
. 46 . . . 13127582.000000 . . . 122.857 . 173.689 . 8.046 . . . . . 495 . LEU N . . . . 494 . LYS C . . . . 495 . LEU H . . . . . . . . . . 51948 4
. 47 . . . 24672920.000000 . . . 121.101 . 173.692 . 8.133 . . . . . 497 . LYS N . . . . 496 . ASP C . . . . 497 . LYS H . . . . . . . . . . 51948 4
. 48 . . . 34736316.000000 . . . 115.871 . 174.046 . 8.038 . . . . . 499 . SER N . . . . 498 . GLU C . . . . 499 . SER H . . . . . . . . . . 51948 4
. 49 . . . 26213898.000000 . . . 122.742 . 171.054 . 7.824 . . . . . 503 . TRP N . . . . 502 . THR C . . . . 503 . TRP H . . . . . . . . . . 51948 4
. 5 . . . 119617616.000000 . . . 113.163 . 171.530 . 8.011 . . . . . 451 . THR N . . . . 450 . GLY C . . . . 451 . THR H . . . . . . . . . . 51948 4
. 50 . . . 14431341.000000 . . . 113.545 . 174.425 . 7.738 . . . . . 502 . THR N . . . . 501 . LEU C . . . . 502 . THR H . . . . . . . . . . 51948 4
. 51 . . . 55184512.000000 . . . 128.774 . 172.131 . 7.521 . . . . . 504 . LEU N . . . . 503 . TRP C . . . . 504 . LEU H . . . . . . . . . . 51948 4
. 52 . . . 81368800.000000 . . . 120.542 . 174.304 . 8.291 . . . . . 487 . GLU N . . . . 486 . MET C . . . . 487 . GLU H . . . . . . . . . . 51948 4
. 53 . . . 44854900.000000 . . . 123.776 . 171.823 . 8.076 . . . . . 490 . LEU N . . . . 489 . VAL C . . . . 490 . LEU H . . . . . . . . . . 51948 4
. 54 . . . 6439188.000000 . . . 120.722 . 174.064 . 8.332 . . . . . 498 . GLU N . . . . 497 . LYS C . . . . 498 . GLU H . . . . . . . . . . 51948 4
. 6 . . . 88460904.000000 . . . 121.098 . 171.597 . 8.427 . . . . . 452 . ASN N . . . . 451 . THR C . . . . 452 . ASN H . . . . . . . . . . 51948 4
. 7 . . . 228819000.000000 . . . 119.653 . 172.348 . 7.924 . . . . . 453 . VAL N . . . . 452 . ASN C . . . . 453 . VAL H . . . . . . . . . . 51948 4
. 8 . . . 245560576.000000 . . . 123.554 . 172.797 . 8.266 . . . . . 454 . ASP N . . . . 453 . VAL C . . . . 454 . ASP H . . . . . . . . . . 51948 4
. 9 . . . 195106624.000000 . . . 123.447 . 173.581 . 8.205 . . . . . 455 . LEU N . . . . 454 . ASP C . . . . 455 . LEU H . . . . . . . . . . 51948 4
stop_
save_