Content for NMR-STAR saveframe, "pH_6.1_shifts"
save_pH_6.1_shifts
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode pH_6.1_shifts
_Assigned_chem_shift_list.Entry_ID 16162
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $pH_6.1_conditions
_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 'These are assignments at physiological pH, transfered from the pH 5.0 assignments by acquiring HSQC spectra at various intermediate pH values and tracking the change in peak position.'
_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
1 '2D 1H-15N HSQC' . . . 16162 2
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loop_
_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 LEU H H 1 8.380 0.000 . 1 1 . . . 753 L HN . 16162 2
2 . 1 1 3 3 LEU N N 15 125.084 0.000 . 1 1 . . . 753 L N . 16162 2
3 . 1 1 4 4 LEU H H 1 8.270 0.000 . 1 1 . . . 754 L HN . 16162 2
4 . 1 1 4 4 LEU N N 15 123.955 0.000 . 1 1 . . . 754 L N . 16162 2
5 . 1 1 5 5 MET H H 1 8.274 0.000 . 1 1 . . . 755 M HN . 16162 2
6 . 1 1 5 5 MET N N 15 121.970 0.000 . 1 1 . . . 755 M N . 16162 2
7 . 1 1 6 6 ILE H H 1 8.133 0.000 . 1 1 . . . 756 I HN . 16162 2
8 . 1 1 6 6 ILE N N 15 123.160 0.000 . 1 1 . . . 756 I N . 16162 2
9 . 1 1 7 7 ILE H H 1 8.190 0.000 . 1 1 . . . 757 I HN . 16162 2
10 . 1 1 7 7 ILE N N 15 125.449 0.000 . 1 1 . . . 757 I N . 16162 2
11 . 1 1 8 8 HIS H H 1 8.521 0.000 . 1 1 . . . 758 H HN . 16162 2
12 . 1 1 8 8 HIS N N 15 123.735 0.000 . 1 1 . . . 758 H N . 16162 2
13 . 1 1 9 9 ASP H H 1 8.340 0.000 . 1 1 . . . 759 D HN . 16162 2
14 . 1 1 9 9 ASP N N 15 122.017 0.000 . 1 1 . . . 759 D N . 16162 2
15 . 1 1 10 10 ARG H H 1 8.458 0.000 . 1 1 . . . 760 R HN . 16162 2
16 . 1 1 10 10 ARG N N 15 122.394 0.000 . 1 1 . . . 760 R N . 16162 2
17 . 1 1 11 11 ARG H H 1 8.418 0.000 . 1 1 . . . 761 R HN . 16162 2
18 . 1 1 11 11 ARG N N 15 121.753 0.000 . 1 1 . . . 761 R N . 16162 2
19 . 1 1 12 12 GLU H H 1 8.350 0.000 . 1 1 . . . 762 E HN . 16162 2
20 . 1 1 12 12 GLU N N 15 120.915 0.000 . 1 1 . . . 762 E N . 16162 2
21 . 1 1 13 13 PHE H H 1 8.099 0.000 . 1 1 . . . 763 F HN . 16162 2
22 . 1 1 13 13 PHE N N 15 120.317 0.000 . 1 1 . . . 763 F N . 16162 2
23 . 1 1 14 14 ALA H H 1 8.130 0.000 . 1 1 . . . 764 A HN . 16162 2
24 . 1 1 14 14 ALA N N 15 124.302 0.000 . 1 1 . . . 764 A N . 16162 2
25 . 1 1 15 15 LYS H H 1 8.020 0.000 . 1 1 . . . 765 K HN . 16162 2
26 . 1 1 15 15 LYS N N 15 119.768 0.000 . 1 1 . . . 765 K N . 16162 2
27 . 1 1 16 16 PHE H H 1 8.062 0.000 . 1 1 . . . 766 F HN . 16162 2
28 . 1 1 16 16 PHE N N 15 120.112 0.000 . 1 1 . . . 766 F N . 16162 2
29 . 1 1 17 17 GLU H H 1 8.197 0.000 . 1 1 . . . 767 E HN . 16162 2
30 . 1 1 17 17 GLU N N 15 122.023 0.000 . 1 1 . . . 767 E N . 16162 2
31 . 1 1 18 18 LYS H H 1 8.178 0.000 . 1 1 . . . 768 K HN . 16162 2
32 . 1 1 18 18 LYS N N 15 121.633 0.000 . 1 1 . . . 768 K N . 16162 2
33 . 1 1 19 19 GLU H H 1 8.364 0.000 . 1 1 . . . 769 E HN . 16162 2
34 . 1 1 19 19 GLU N N 15 120.547 0.000 . 1 1 . . . 769 E N . 16162 2
35 . 1 1 20 20 LYS H H 1 8.103 0.000 . 1 1 . . . 770 K HN . 16162 2
36 . 1 1 20 20 LYS N N 15 121.073 0.000 . 1 1 . . . 770 K N . 16162 2
37 . 1 1 21 21 MET H H 1 8.164 0.000 . 1 1 . . . 771 M HN . 16162 2
38 . 1 1 21 21 MET N N 15 120.323 0.000 . 1 1 . . . 771 M N . 16162 2
39 . 1 1 22 22 ASN H H 1 8.285 0.000 . 1 1 . . . 772 N HN . 16162 2
40 . 1 1 22 22 ASN HD21 H 1 7.580 0.000 . 2 1 . . . 772 N HD21 . 16162 2
41 . 1 1 22 22 ASN HD22 H 1 6.893 0.000 . 2 1 . . . 772 N HD22 . 16162 2
42 . 1 1 22 22 ASN N N 15 119.499 0.000 . 1 1 . . . 772 N N . 16162 2
43 . 1 1 22 22 ASN ND2 N 15 112.905 0.001 . 1 2 . . . 772 N ND2 . 16162 2
44 . 1 1 23 23 ALA H H 1 8.116 0.000 . 1 1 . . . 773 A HN . 16162 2
45 . 1 1 23 23 ALA N N 15 124.262 0.000 . 1 1 . . . 773 A N . 16162 2
46 . 1 1 24 24 LYS H H 1 8.097 0.000 . 1 1 . . . 774 K HN . 16162 2
47 . 1 1 24 24 LYS N N 15 119.678 0.000 . 1 1 . . . 774 K N . 16162 2
48 . 1 1 25 25 TRP H H 1 7.954 0.000 . 1 1 . . . 775 W HN . 16162 2
49 . 1 1 25 25 TRP HE1 H 1 10.131 0.000 . 1 1 . . . 775 W HE1 . 16162 2
50 . 1 1 25 25 TRP N N 15 121.261 0.000 . 1 1 . . . 775 W N . 16162 2
51 . 1 1 25 25 TRP NE1 N 15 129.479 0.000 . 1 1 . . . 775 W NE1 . 16162 2
52 . 1 1 26 26 ASP H H 1 8.215 0.000 . 1 1 . . . 776 D HN . 16162 2
53 . 1 1 26 26 ASP N N 15 121.691 0.000 . 1 1 . . . 776 D N . 16162 2
54 . 1 1 27 27 THR H H 1 7.977 0.000 . 1 1 . . . 777 T HN . 16162 2
55 . 1 1 27 27 THR N N 15 113.784 0.000 . 1 1 . . . 777 T N . 16162 2
56 . 1 1 28 28 GLN H H 1 8.325 0.000 . 1 1 . . . 778 Q HN . 16162 2
57 . 1 1 28 28 GLN HE21 H 1 7.561 0.000 . 2 1 . . . 778 Q HE21 . 16162 2
58 . 1 1 28 28 GLN HE22 H 1 6.801 0.000 . 2 1 . . . 778 Q HE22 . 16162 2
59 . 1 1 28 28 GLN N N 15 121.792 0.000 . 1 1 . . . 778 Q N . 16162 2
60 . 1 1 28 28 GLN NE2 N 15 112.708 0.004 . 1 2 . . . 778 Q NE2 . 16162 2
61 . 1 1 29 29 GLU H H 1 8.320 0.000 . 1 1 . . . 779 E HN . 16162 2
62 . 1 1 29 29 GLU N N 15 121.308 0.000 . 1 1 . . . 779 E N . 16162 2
63 . 1 1 30 30 ASN H H 1 8.384 0.000 . 1 1 . . . 780 N HN . 16162 2
64 . 1 1 30 30 ASN HD21 H 1 7.641 0.000 . 2 1 . . . 780 N HD21 . 16162 2
65 . 1 1 30 30 ASN HD22 H 1 6.894 0.000 . 2 1 . . . 780 N HD22 . 16162 2
66 . 1 1 30 30 ASN N N 15 120.818 0.000 . 1 1 . . . 780 N N . 16162 2
67 . 1 1 30 30 ASN ND2 N 15 113.281 0.002 . 1 2 . . . 780 N ND2 . 16162 2
68 . 1 1 32 32 ILE H H 1 8.011 0.000 . 1 1 . . . 782 I HN . 16162 2
69 . 1 1 32 32 ILE N N 15 119.405 0.000 . 1 1 . . . 782 I N . 16162 2
70 . 1 1 33 33 TYR H H 1 7.960 0.000 . 1 1 . . . 783 Y HN . 16162 2
71 . 1 1 33 33 TYR N N 15 123.116 0.000 . 1 1 . . . 783 Y N . 16162 2
72 . 1 1 34 34 LYS H H 1 7.972 0.000 . 1 1 . . . 784 K HN . 16162 2
73 . 1 1 34 34 LYS N N 15 123.544 0.000 . 1 1 . . . 784 K N . 16162 2
74 . 1 1 35 35 SER H H 1 8.222 0.000 . 1 1 . . . 785 S HN . 16162 2
75 . 1 1 35 35 SER N N 15 118.638 0.000 . 1 1 . . . 785 S N . 16162 2
76 . 1 1 37 37 ILE H H 1 8.060 0.000 . 1 1 . . . 787 I HN . 16162 2
77 . 1 1 37 37 ILE N N 15 120.087 0.000 . 1 1 . . . 787 I N . 16162 2
78 . 1 1 38 38 ASN H H 1 8.347 0.000 . 1 1 . . . 788 N HN . 16162 2
79 . 1 1 38 38 ASN HD21 H 1 7.577 0.000 . 2 1 . . . 788 N HD21 . 16162 2
80 . 1 1 38 38 ASN HD22 H 1 6.895 0.000 . 2 1 . . . 788 N HD22 . 16162 2
81 . 1 1 38 38 ASN N N 15 121.962 0.000 . 1 1 . . . 788 N N . 16162 2
82 . 1 1 38 38 ASN ND2 N 15 112.870 0.003 . 1 2 . . . 788 N ND2 . 16162 2
83 . 1 1 39 39 ASN H H 1 8.259 0.000 . 1 1 . . . 789 N HN . 16162 2
84 . 1 1 39 39 ASN HD21 H 1 7.477 0.000 . 2 1 . . . 789 N HD21 . 16162 2
85 . 1 1 39 39 ASN HD22 H 1 6.821 0.000 . 2 1 . . . 789 N HD22 . 16162 2
86 . 1 1 39 39 ASN N N 15 119.668 0.000 . 1 1 . . . 789 N N . 16162 2
87 . 1 1 39 39 ASN ND2 N 15 112.447 0.000 . 1 2 . . . 789 N ND2 . 16162 2
88 . 1 1 40 40 PHE H H 1 8.065 0.000 . 1 1 . . . 790 F HN . 16162 2
89 . 1 1 40 40 PHE N N 15 120.145 0.000 . 1 1 . . . 790 F N . 16162 2
90 . 1 1 41 41 LYS H H 1 8.045 0.000 . 1 1 . . . 791 K HN . 16162 2
91 . 1 1 41 41 LYS N N 15 122.070 0.000 . 1 1 . . . 791 K N . 16162 2
92 . 1 1 42 42 ASN H H 1 8.209 0.000 . 1 1 . . . 792 N HN . 16162 2
93 . 1 1 42 42 ASN HD21 H 1 7.682 0.000 . 2 1 . . . 792 N HD21 . 16162 2
94 . 1 1 42 42 ASN HD22 H 1 7.039 0.000 . 2 1 . . . 792 N HD22 . 16162 2
95 . 1 1 42 42 ASN N N 15 120.701 0.000 . 1 1 . . . 792 N N . 16162 2
96 . 1 1 42 42 ASN ND2 N 15 113.227 0.001 . 1 2 . . . 792 N ND2 . 16162 2
97 . 1 1 44 44 ASN H H 1 8.357 0.000 . 1 1 . . . 794 N HN . 16162 2
98 . 1 1 44 44 ASN HD21 H 1 7.591 0.000 . 2 1 . . . 794 N HD21 . 16162 2
99 . 1 1 44 44 ASN HD22 H 1 6.950 0.000 . 2 1 . . . 794 N HD22 . 16162 2
100 . 1 1 44 44 ASN N N 15 117.358 0.000 . 1 1 . . . 794 N N . 16162 2
101 . 1 1 44 44 ASN ND2 N 15 113.414 0.002 . 1 2 . . . 794 N ND2 . 16162 2
102 . 1 1 45 45 TYR H H 1 7.922 0.000 . 1 1 . . . 795 Y HN . 16162 2
103 . 1 1 45 45 TYR N N 15 120.898 0.000 . 1 1 . . . 795 Y N . 16162 2
104 . 1 1 46 46 GLY H H 1 8.290 0.000 . 1 1 . . . 796 G HN . 16162 2
105 . 1 1 46 46 GLY N N 15 110.817 0.000 . 1 1 . . . 796 G N . 16162 2
106 . 1 1 47 47 ARG H H 1 7.987 0.000 . 1 1 . . . 797 R HN . 16162 2
107 . 1 1 47 47 ARG N N 15 120.711 0.000 . 1 1 . . . 797 R N . 16162 2
108 . 1 1 48 48 LYS H H 1 8.359 0.000 . 1 1 . . . 798 K HN . 16162 2
109 . 1 1 48 48 LYS N N 15 122.905 0.000 . 1 1 . . . 798 K N . 16162 2
110 . 1 1 49 49 ALA H H 1 8.293 0.000 . 1 1 . . . 799 A HN . 16162 2
111 . 1 1 49 49 ALA N N 15 125.359 0.000 . 1 1 . . . 799 A N . 16162 2
112 . 1 1 50 50 GLY H H 1 8.348 0.000 . 1 1 . . . 800 G HN . 16162 2
113 . 1 1 50 50 GLY N N 15 108.338 0.000 . 1 1 . . . 800 G N . 16162 2
114 . 1 1 51 51 LEU H H 1 8.168 0.000 . 1 1 . . . 801 L HN . 16162 2
115 . 1 1 51 51 LEU N N 15 121.896 0.000 . 1 1 . . . 801 L N . 16162 2
116 . 1 1 52 52 GLY H H 1 8.589 0.000 . 1 1 . . . 802 G HN . 16162 2
117 . 1 1 52 52 GLY N N 15 110.248 0.000 . 1 1 . . . 802 G N . 16162 2
118 . 1 1 53 53 SER H H 1 8.193 0.000 . 1 1 . . . 803 S HN . 16162 2
119 . 1 1 53 53 SER N N 15 115.609 0.000 . 1 1 . . . 803 S N . 16162 2
120 . 1 1 54 54 GLU H H 1 8.572 0.000 . 1 1 . . . 804 E HN . 16162 2
121 . 1 1 54 54 GLU N N 15 122.555 0.000 . 1 1 . . . 804 E N . 16162 2
122 . 1 1 56 56 HIS H H 1 8.241 0.000 . 1 1 . . . 806 H HN . 16162 2
123 . 1 1 56 56 HIS N N 15 125.493 0.000 . 1 1 . . . 806 H N . 16162 2
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