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 51381
_Spectral_peak_list.ID 4
_Spectral_peak_list.Name HNCO_Tom22_1_74_pH6
_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 5
_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 text
_Spectral_peak_list.Text_data
;
_nef_peak.index
_nef_peak.peak_id
_nef_peak.volume
_nef_peak.volume_uncertainty
_nef_peak.height
_nef_peak.height_uncertainty
_nef_peak.position_1
_nef_peak.position_uncertainty_1
_nef_peak.position_2
_nef_peak.position_uncertainty_2
_nef_peak.position_3
_nef_peak.position_uncertainty_3
_nef_peak.chain_code_1
_nef_peak.sequence_code_1
_nef_peak.residue_name_1
_nef_peak.atom_name_1
_nef_peak.chain_code_2
_nef_peak.sequence_code_2
_nef_peak.residue_name_2
_nef_peak.atom_name_2
_nef_peak.chain_code_3
_nef_peak.sequence_code_3
_nef_peak.residue_name_3
_nef_peak.atom_name_3
_nef_peak.ccpn_figure_of_merit
_nef_peak.ccpn_linked_integral
_nef_peak.ccpn_annotation
_nef_peak.ccpn_comment
_nef_peak.ccpn_peak_list_serial
1 1 . . 88167440 . 8.030916473 . 113.3840819 . 177.8201959 . A 33 THR H A 33 THR N A 32 ALA C 1 . . . 1
2 2 . . 124662864 . 8.166085879 . 115.7781129 . 177.8534667 . A 31 SER H A 31 SER N A 30 ALA C 1 . . . 1
3 3 . . 140498768 . 8.077589927 . 117.4872875 . 175.7907534 . A 20 SER H A 20 SER N A 20-1 . C 1 . . . 1
4 4 . . 176376032 . 8.3289791 . 120.0535052 . 174.7387144 . A 35 ASN H A 35 ASN N A 34 ASN C 1 . . . 1
5 5 . . 101205032 . 8.285081293 . 119.8940085 . 176.124936 . A 22 ASN H A 22 ASN N A 21 ARG C 1 . . . 1
6 8 . . 213603168 . 8.302605243 . 121.4312105 . 174.2515365 . A 34 ASN H A 34 ASN N A 33 THR C 1 . . . 1
7 9 . . 59147548 . 8.444396333 . 123.4162887 . 174.3928973 . A 1 MET H A 1 MET N A 1-1 . C 1 . . . 1
8 10 . . 112848920 . 8.264997382 . 123.3720181 . 176.4491228 . A 29 LYS H A 29 LYS N A 28 GLU C 1 . . . 1
9 12 . . 143989952 . 8.129697196 . 125.4053889 . 175.4408403 . A 24 ALA H A 24 ALA N A 23 GLN C 1 . . . 1
10 13 . . 178757280 . 8.245072612 . 125.976682 . 176.3592874 . A 30 ALA H A 30 ALA N A 29 LYS C 1 . . . 1
11 14 . . 135374928 . 8.224939093 . 126.7215057 . 174.3617715 . A 32 ALA H A 32 ALA N A 31 SER C 1 . . . 1
12 16 . . 139758768 . 8.190425163 . 123.4001257 . 174.4987529 . A 21 ARG H A 21 ARG N A 20 SER C 1 . . . 1
13 17 . . 144037376 . 8.168083199 . 121.3955835 . 175.1851764 . A 23 GLN H A 23 GLN N A 22 ASN C 1 . . . 1
14 18 . . 132950536 . 7.986875553 . 115.2602953 . 177.3017012 . A 5 THR H A 5 THR N A 4 LEU C 1 . . . 1
15 19 . . 120739080 . 8.225516542 . 123.9657578 . 174.2189891 . A 6 GLU H A 6 GLU N A 5 THR C 1 . . . 1
16 20 . . 86759248 . 8.257577078 . 124.2609504 . 176.1297718 . A 4 LEU H A 4 LEU N A 3 GLU C 1 . . . 1
17 21 . . -90876.15618 . 8.255114565 . 124.331 . 177.3216636 . A 4 LEU H A 4 LEU N A 4 LEU C 1 . . . 1
18 24 . . 171757936 . 8.350710757 . 123.7160964 . 176.2474212 . A 28 GLU H A 28 GLU N A 27 GLU C 1 . . . 1
19 25 . . 121610824 . 8.113479655 . 122.6257058 . 175.7855568 . A 2 VAL H A 2 VAL N A 1 MET C 1 . . . 1
20 32 . . 93439154.64 . 8.0778917 . 120.99 . 176.1195003 . A 67 ASP H A 67 ASP N A 66 LYS C 1 . . . 1
21 33 . . 134304976 . 8.419490311 . 125.6673028 . 175.767797 . A 3 GLU H A 3 GLU N A 2 VAL C 1 . . . 1
22 34 . . 79153664 . 8.115812149 . 123.8692677 . 175.8690907 . A 7 ILE H A 7 ILE N A 6 GLU C 1 . . . 1
23 35 . . 179908112 . 8.315161031 . 127.0620912 . 176.0090449 . A 8 LYS H A 8 LYS N A 7 ILE C 1 . . . 1
24 36 . . 63120064 . 8.214815062 . 122.4632537 . 175.9530686 . A 9 ASP H A 9 ASP N A 8 LYS C 1 . . . 1
25 37 . . 82143672 . 8.204613736 . 120.8857047 . 175.7781929 . A 10 ASP H A 10 ASP N A 9 ASP C 1 . . . 1
26 38 . . 109921464 . 8.065567506 . 125.1581139 . 176.1313135 . A 12 VAL H A 12 VAL N A 11 VAL C 1 . . . 1
27 40 . . 86835208 . 7.883912506 . 120.8716277 . 175.8829889 . A 11 VAL H A 11 VAL N A 10 ASP C 1 . . . 1
28 41 . . 100246176 . 8.346494896 . 125.5682013 . 175.7935866 . A 13 GLN H A 13 GLN N A 12 VAL C 1 . . . 1
29 42 . . 86830960 . 8.220323071 . 125.070238 . 175.4970106 . A 14 LEU H A 14 LEU N A 13 GLN C 1 . . . 1
30 43 . . 159408416 . 7.939797027 . 120.8857047 . 177.5360871 . A 25 ILE H A 25 ILE N A 24 ALA C 1 . . . 1
31 44 . . 144373536 . 8.062473499 . 125.3924496 . 176.2408023 . A 26 VAL H A 26 VAL N A 25 ILE C 1 . . . 1
32 45 . . 127831544 . 8.216222665 . 121.2036994 . 174.696655 . A 36 ASP H A 36 ASP N A 35 ASN C 1 . . . 1
33 46 . . 90745312 . 7.895192518 . 120.8075184 . 175.9695355 . A 37 VAL H A 37 VAL N A 36 ASP C 1 . . . 1
34 47 . . 96378096 . 8.130051566 . 125.070238 . 175.9121943 . A 38 VAL H A 38 VAL N A 37 VAL C 1 . . . 1
35 48 . . 100228000 . 8.298736433 . 125.3631576 . 175.6438856 . A 39 ASP H A 39 ASP N A 38 VAL C 1 . . . 1
36 49 . . 95706160 . 8.206453763 . 121.8769146 . 175.6640595 . A 40 ASP H A 40 ASP N A 39 ASP C 1 . . . 1
37 50 . . 90041560 . 8.233227591 . 121.6137868 . 176.1102809 . A 41 GLU H A 41 GLU N A 40 ASP C 1 . . . 1
38 51 . . 124862064 . 8.258945842 . 122.199626 . 176.1229469 . A 42 ASP H A 42 ASP N A 41 GLU C 1 . . . 1
39 52 . . 153913120 . 8.24376801 . 122.5804215 . 175.886584 . A 43 ASP H A 43 ASP N A 42 ASP C 1 . . . 1
40 53 . . 129602816 . 8.20572434 . 116.9563653 . 176.4430617 . A 44 SER H A 44 SER N A 43 ASP C 1 . . . 1
41 54 . . 136810480 . 8.31054042 . 122.854598 . 174.4890705 . A 45 ASP H A 45 ASP N A 44 SER C 1 . . . 1
42 55 . . 120936208 . 8.069262973 . 116.3853772 . 176.2469647 . A 46 SER H A 46 SER N A 45 ASP C 1 . . . 1
43 56 . . 121786600 . 8.186031275 . 122.8147572 . 174.1186175 . A 47 ASP H A 47 ASP N A 46 SER C 1 . . . 1
44 57 . . 131481304 . 7.985110788 . 120.9109566 . 175.6558799 . A 48 PHE H A 48 PHE N A 47 ASP C 1 . . . 1
45 58 . . 42178136 . 8.145278375 . 123.3713044 . 175.5184985 . A 48 PHE H A 48 PHE N A 47 ASP C 1 . . . 1
46 59 . . 183535104 . 8.145765578 . 122.2920571 . 175.661 . A 50 ASP H A 50 ASP N A 49 GLU C 1 . . . 1
47 60 . . 139682576 . 8.169304842 . 121.7295162 . 175.8953859 . A 51 GLU H A 51 GLU N A 50 ASP C 1 . . . 1
48 61 . . 106925392 . 8.131500644 . 121.6457096 . 175.8878972 . A 52 PHE H A 52 PHE N A 51 GLU C 1 . . . 1
49 62 . . 81030696 . 8.223040933 . 123.5470562 . 176.232528 . A 53 ASP H A 53 ASP N A 52 PHE C 1 . . . 1
50 63 . . 91870136 . 8.37760357 . 122.9266905 . 176.2241393 . A 54 GLU H A 54 GLU N A 53 ASP C 1 . . . 1
51 64 . . 149143904 . 8.362480428 . 119.2118462 . 176.4782424 . A 55 ASN H A 55 ASN N A 54 GLU C 1 . . . 1
52 65 . . 110027704 . 8.142822808 . 121.3501592 . 175.5443686 . A 56 GLU H A 56 GLU N A 55 ASN C 1 . . . 1
53 66 . . 130457736 . 8.080771409 . 115.2867237 . 176.6961285 . A 57 THR H A 57 THR N A 56 GLU C 1 . . . 1
54 67 . . 541763.375 . 8.079778557 . 115.2867237 . 174.7192725 . A 57 THR H A 57 THR N A 57 THR C 1 . . . 1
55 68 . . 149044752 . 8.016170626 . 124.5136908 . 174.7223028 . A 58 LEU H A 58 LEU N A 57 THR C 1 . . . 1
56 69 . . 150605152 . 7.94489679 . 122.2599547 . 177.5367613 . A 59 LEU H A 59 LEU N A 58 LEU C 1 . . . 1
57 70 . . 83106552 . 8.051608526 . 120.3231638 . 177.4188942 . A 60 ASP H A 60 ASP N A 59 LEU C 1 . . . 1
58 71 . . 117759152 . 7.879163225 . 120.6044343 . 176.3692763 . A 61 ARG H A 61 ARG N A 60 ASP C 1 . . . 1
59 72 . . 129478880 . 7.96333629 . 122.0107866 . 176.3641577 . A 62 ILE H A 62 ILE N A 61 ARG C 1 . . . 1
60 73 . . 107922376 . 7.998645184 . 124.5422209 . 176.7157365 . A 63 VAL H A 63 VAL N A 62 ILE C 1 . . . 1
61 74 . . 131641016 . 8.110456684 . 127.3549256 . 175.8953859 . A 64 ALA H A 64 ALA N A 63 VAL C 1 . . . 1
62 75 . . 165575488 . 7.969221105 . 121.7295162 . 177.6532801 . A 65 LEU H A 65 LEU N A 64 ALA C 1 . . . 1
63 76 . . 158021104 . 8.016299632 . 121.1669752 . 177.5360871 . A 66 LYS H A 66 LYS N A 65 LEU C 1 . . . 1
64 77 . . 82395856 . 7.833870343 . 121.1669752 . 175.7781929 . A 68 ILE H A 68 ILE N A 67 ASP C 1 . . . 1
65 78 . . 125635600 . 8.092802237 . 127.0736551 . 176.0125788 . A 69 VAL H A 69 VAL N A 68 ILE C 1 . . . 1
66 79 . . 49743116 . 7.751482922 . 127.0736551 . 176.1297718 . A 76 GLU H A 76 GLU N A 76-1 . C 1 . . . 1
;
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 . aliased 5.46111 ppm . . . . . . 51381 4
2 . . N 15 15N . aliased 36.0026 ppm . . . . . . 51381 4
3 . . C 13 CO . aliased 15.0007 ppm . . . . . . 51381 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
2 $software_2 . . 51381 4
stop_
save_