Content for NMR-STAR saveframe, "H-N_assignments_pH_6.1"
save_H-N_assignments_pH_6.1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode H-N_assignments_pH_6.1
_Assigned_chem_shift_list.Entry_ID 15552
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $pH_6.1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details '1H and 15N assignments for backbone amides and asparagine and tryptophan N-H sidechains at pH 6.1'
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
4 '2D 1H-15N HSQC' . . . 15552 2
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_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $SPARKY . . 15552 2
2 $NMRPipe . . 15552 2
3 $Omega_Spectrometer_Operating_Software . . 15552 2
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_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 3 3 LYS H H 1 8.459 0.000 . 1 . . . . 716 K HN . 15552 2
2 . 1 1 3 3 LYS N N 15 122.209 0.000 . 1 . . . . 716 K N . 15552 2
3 . 1 1 4 4 LEU H H 1 8.251 0.000 . 1 . . . . 717 L HN . 15552 2
4 . 1 1 4 4 LEU N N 15 124.407 0.000 . 1 . . . . 717 L N . 15552 2
5 . 1 1 5 5 LEU H H 1 8.273 0.000 . 1 . . . . 718 L HN . 15552 2
6 . 1 1 5 5 LEU N N 15 124.306 0.000 . 1 . . . . 718 L N . 15552 2
7 . 1 1 6 6 ILE H H 1 8.113 0.000 . 1 . . . . 719 I HN . 15552 2
8 . 1 1 6 6 ILE N N 15 122.547 0.000 . 1 . . . . 719 I N . 15552 2
9 . 1 1 7 7 THR H H 1 8.332 0.000 . 1 . . . . 720 T HN . 15552 2
10 . 1 1 7 7 THR N N 15 118.824 0.000 . 1 . . . . 720 T N . 15552 2
11 . 1 1 8 8 ILE H H 1 8.171 0.000 . 1 . . . . 721 I HN . 15552 2
12 . 1 1 8 8 ILE N N 15 123.006 0.000 . 1 . . . . 721 I N . 15552 2
13 . 1 1 9 9 HIS H H 1 8.415 0.000 . 1 . . . . 722 H HN . 15552 2
14 . 1 1 9 9 HIS N N 15 122.525 0.000 . 1 . . . . 722 H N . 15552 2
15 . 1 1 10 10 ASP H H 1 8.238 0.000 . 1 . . . . 723 D HN . 15552 2
16 . 1 1 10 10 ASP N N 15 121.436 0.000 . 1 . . . . 723 D N . 15552 2
17 . 1 1 11 11 ARG H H 1 8.331 0.000 . 1 . . . . 724 R HN . 15552 2
18 . 1 1 11 11 ARG N N 15 121.679 0.000 . 1 . . . . 724 R N . 15552 2
19 . 1 1 12 12 LYS H H 1 8.397 0.000 . 1 . . . . 725 K HN . 15552 2
20 . 1 1 12 12 LYS N N 15 122.074 0.000 . 1 . . . . 725 K N . 15552 2
21 . 1 1 13 13 GLU H H 1 8.340 0.000 . 1 . . . . 726 E HN . 15552 2
22 . 1 1 13 13 GLU N N 15 120.898 0.000 . 1 . . . . 726 E N . 15552 2
23 . 1 1 14 14 PHE H H 1 8.136 0.000 . 1 . . . . 727 F HN . 15552 2
24 . 1 1 14 14 PHE N N 15 120.367 0.000 . 1 . . . . 727 F N . 15552 2
25 . 1 1 15 15 ALA H H 1 8.125 0.000 . 1 . . . . 728 A HN . 15552 2
26 . 1 1 15 15 ALA N N 15 123.981 0.000 . 1 . . . . 728 A N . 15552 2
27 . 1 1 16 16 LYS H H 1 8.000 0.000 . 1 . . . . 729 K HN . 15552 2
28 . 1 1 16 16 LYS N N 15 119.710 0.000 . 1 . . . . 729 K N . 15552 2
29 . 1 1 17 17 PHE H H 1 8.073 0.000 . 1 . . . . 730 F HN . 15552 2
30 . 1 1 17 17 PHE N N 15 120.602 0.000 . 1 . . . . 730 F N . 15552 2
31 . 1 1 18 18 GLU H H 1 8.280 0.000 . 1 . . . . 731 E HN . 15552 2
32 . 1 1 18 18 GLU N N 15 121.207 0.000 . 1 . . . . 731 E N . 15552 2
33 . 1 1 19 19 GLU H H 1 8.231 0.000 . 1 . . . . 732 E HN . 15552 2
34 . 1 1 19 19 GLU N N 15 121.348 0.000 . 1 . . . . 732 E N . 15552 2
35 . 1 1 20 20 GLU H H 1 8.275 0.000 . 1 . . . . 733 E HN . 15552 2
36 . 1 1 20 20 GLU N N 15 120.852 0.000 . 1 . . . . 733 E N . 15552 2
37 . 1 1 21 21 ARG H H 1 8.114 0.000 . 1 . . . . 734 R HN . 15552 2
38 . 1 1 21 21 ARG N N 15 120.660 0.000 . 1 . . . . 734 R N . 15552 2
39 . 1 1 22 22 ALA H H 1 8.000 0.000 . 1 . . . . 735 A HN . 15552 2
40 . 1 1 22 22 ALA N N 15 122.952 0.000 . 1 . . . . 735 A N . 15552 2
41 . 1 1 23 23 ARG H H 1 7.936 0.000 . 1 . . . . 736 R HN . 15552 2
42 . 1 1 23 23 ARG N N 15 118.993 0.000 . 1 . . . . 736 R N . 15552 2
43 . 1 1 24 24 ALA H H 1 7.986 0.000 . 1 . . . . 737 A HN . 15552 2
44 . 1 1 24 24 ALA N N 15 123.462 0.000 . 1 . . . . 737 A N . 15552 2
45 . 1 1 25 25 LYS H H 1 7.942 0.000 . 1 . . . . 738 K HN . 15552 2
46 . 1 1 25 25 LYS N N 15 119.109 0.000 . 1 . . . . 738 K N . 15552 2
47 . 1 1 26 26 TRP H H 1 7.861 0.000 . 1 . . . . 739 W HN . 15552 2
48 . 1 1 26 26 TRP HE1 H 1 10.136 0.000 . 1 . . . . 739 W HE1 . 15552 2
49 . 1 1 26 26 TRP N N 15 120.417 0.000 . 1 . . . . 739 W N . 15552 2
50 . 1 1 26 26 TRP NE1 N 15 129.437 0.000 . 1 . . . . 739 W NE1 . 15552 2
51 . 1 1 27 27 ASP H H 1 8.195 0.000 . 1 . . . . 740 D HN . 15552 2
52 . 1 1 27 27 ASP N N 15 121.758 0.000 . 1 . . . . 740 D N . 15552 2
53 . 1 1 28 28 THR H H 1 7.983 0.000 . 1 . . . . 741 T HN . 15552 2
54 . 1 1 28 28 THR N N 15 114.011 0.000 . 1 . . . . 741 T N . 15552 2
55 . 1 1 29 29 ALA H H 1 8.147 0.000 . 1 . . . . 742 A HN . 15552 2
56 . 1 1 29 29 ALA N N 15 124.654 0.000 . 1 . . . . 742 A N . 15552 2
57 . 1 1 30 30 ASN H H 1 8.096 0.000 . 1 . . . . 743 N HN . 15552 2
58 . 1 1 30 30 ASN HD21 H 1 7.558 0.000 . 2 . . . . 743 N HD21 . 15552 2
59 . 1 1 30 30 ASN HD22 H 1 6.820 0.000 . 2 . . . . 743 N HD22 . 15552 2
60 . 1 1 30 30 ASN N N 15 116.044 0.000 . 1 . . . . 743 N N . 15552 2
61 . 1 1 30 30 ASN ND2 N 15 113.507 0.001 . 1 . . . . 743 N ND2 . 15552 2
62 . 1 1 31 31 ASN H H 1 8.078 0.000 . 1 . . . . 744 N HN . 15552 2
63 . 1 1 31 31 ASN HD21 H 1 7.673 0.000 . 2 . . . . 744 N HD21 . 15552 2
64 . 1 1 31 31 ASN HD22 H 1 6.888 0.000 . 2 . . . . 744 N HD22 . 15552 2
65 . 1 1 31 31 ASN N N 15 119.847 0.000 . 1 . . . . 744 N N . 15552 2
66 . 1 1 31 31 ASN ND2 N 15 112.953 0.000 . 1 . . . . 744 N ND2 . 15552 2
67 . 1 1 33 33 LEU H H 1 8.078 0.000 . 1 . . . . 746 L HN . 15552 2
68 . 1 1 33 33 LEU N N 15 119.944 0.000 . 1 . . . . 746 L N . 15552 2
69 . 1 1 34 34 TYR H H 1 7.788 0.000 . 1 . . . . 747 Y HN . 15552 2
70 . 1 1 34 34 TYR N N 15 119.698 0.000 . 1 . . . . 747 Y N . 15552 2
71 . 1 1 35 35 LYS H H 1 7.914 0.000 . 1 . . . . 748 K HN . 15552 2
72 . 1 1 35 35 LYS N N 15 123.070 0.000 . 1 . . . . 748 K N . 15552 2
73 . 1 1 36 36 GLU H H 1 8.277 0.000 . 1 . . . . 749 E HN . 15552 2
74 . 1 1 36 36 GLU N N 15 121.934 0.000 . 1 . . . . 749 E N . 15552 2
75 . 1 1 37 37 ALA H H 1 8.335 0.000 . 1 . . . . 750 A HN . 15552 2
76 . 1 1 37 37 ALA N N 15 125.173 0.000 . 1 . . . . 750 A N . 15552 2
77 . 1 1 38 38 THR H H 1 8.071 0.000 . 1 . . . . 751 T HN . 15552 2
78 . 1 1 38 38 THR N N 15 112.711 0.000 . 1 . . . . 751 T N . 15552 2
79 . 1 1 39 39 SER H H 1 8.260 0.000 . 1 . . . . 752 S HN . 15552 2
80 . 1 1 39 39 SER N N 15 117.893 0.000 . 1 . . . . 752 S N . 15552 2
81 . 1 1 40 40 THR H H 1 8.084 0.000 . 1 . . . . 753 T HN . 15552 2
82 . 1 1 40 40 THR N N 15 115.619 0.000 . 1 . . . . 753 T N . 15552 2
83 . 1 1 41 41 PHE H H 1 8.184 0.000 . 1 . . . . 754 F HN . 15552 2
84 . 1 1 41 41 PHE N N 15 122.148 0.000 . 1 . . . . 754 F N . 15552 2
85 . 1 1 42 42 THR H H 1 8.020 0.000 . 1 . . . . 755 T HN . 15552 2
86 . 1 1 42 42 THR N N 15 115.553 0.000 . 1 . . . . 755 T N . 15552 2
87 . 1 1 43 43 ASN H H 1 8.344 0.000 . 1 . . . . 756 N HN . 15552 2
88 . 1 1 43 43 ASN HD21 H 1 7.586 0.000 . 2 . . . . 756 N HD21 . 15552 2
89 . 1 1 43 43 ASN HD22 H 1 6.894 0.000 . 2 . . . . 756 N HD22 . 15552 2
90 . 1 1 43 43 ASN N N 15 121.286 0.000 . 1 . . . . 756 N N . 15552 2
91 . 1 1 43 43 ASN ND2 N 15 112.741 0.003 . 1 . . . . 756 N ND2 . 15552 2
92 . 1 1 44 44 ILE H H 1 8.071 0.000 . 1 . . . . 757 I HN . 15552 2
93 . 1 1 44 44 ILE N N 15 121.205 0.000 . 1 . . . . 757 I N . 15552 2
94 . 1 1 45 45 THR H H 1 8.138 0.000 . 1 . . . . 758 T HN . 15552 2
95 . 1 1 45 45 THR N N 15 118.192 0.000 . 1 . . . . 758 T N . 15552 2
96 . 1 1 46 46 TYR H H 1 8.226 0.000 . 1 . . . . 759 Y HN . 15552 2
97 . 1 1 46 46 TYR N N 15 123.645 0.000 . 1 . . . . 759 Y N . 15552 2
98 . 1 1 47 47 ARG H H 1 8.224 0.000 . 1 . . . . 760 R HN . 15552 2
99 . 1 1 47 47 ARG N N 15 124.322 0.000 . 1 . . . . 760 R N . 15552 2
100 . 1 1 48 48 GLY H H 1 7.728 0.000 . 1 . . . . 761 G HN . 15552 2
101 . 1 1 48 48 GLY N N 15 109.755 0.000 . 1 . . . . 761 G N . 15552 2
102 . 1 1 49 49 THR H H 1 7.672 0.000 . 1 . . . . 762 T HN . 15552 2
103 . 1 1 49 49 THR N N 15 118.302 0.000 . 1 . . . . 762 T N . 15552 2
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