Content for NMR-STAR saveframe, "chem_shift_perturbation_1"
save_chem_shift_perturbation_1
_Chem_shift_perturbation_list.Sf_category chem_shift_perturbation
_Chem_shift_perturbation_list.Sf_framecode chem_shift_perturbation_1
_Chem_shift_perturbation_list.Entry_ID 50449
_Chem_shift_perturbation_list.ID 1
_Chem_shift_perturbation_list.Name 'XcpH Chemical shift perturbation'
_Chem_shift_perturbation_list.Type 'macromolecular binding'
_Chem_shift_perturbation_list.Entity_assembly_ID .
_Chem_shift_perturbation_list.Titrated_entity_assembly_name .
_Chem_shift_perturbation_list.Sample_condition_list_ID 2
_Chem_shift_perturbation_list.Sample_condition_list_label $sample_conditions_2
_Chem_shift_perturbation_list.Chem_shift_ref_set_ID 1
_Chem_shift_perturbation_list.Chem_shift_ref_set_label $chem_shift_reference_1
_Chem_shift_perturbation_list.Details
;
XcpH was mixed with increasing concentrations of XcpJ soluble domain and a 2D 1H-15N HSQC spectrum was collected for each sample.
Chemical shift perturbation is reported for the change in signal from the sample without XcpJ and the sample with most XcpJ (80 uM).
;
_Chem_shift_perturbation_list.Text_data_format .
_Chem_shift_perturbation_list.Text_data .
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_Chem_shift_perturbation_experiment.Experiment_ID
_Chem_shift_perturbation_experiment.Experiment_name
_Chem_shift_perturbation_experiment.Sample_ID
_Chem_shift_perturbation_experiment.Sample_label
_Chem_shift_perturbation_experiment.Sample_state
_Chem_shift_perturbation_experiment.Entry_ID
_Chem_shift_perturbation_experiment.Chem_shift_perturbation_list_ID
1 '2D 1H-15N HSQC' . . . 50449 1
15 '2D 1H-15N HSQC' . . . 50449 1
16 '2D 1H-15N HSQC' . . . 50449 1
17 '2D 1H-15N HSQC' . . . 50449 1
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_Chem_shift_perturbation_software.Software_ID
_Chem_shift_perturbation_software.Software_label
_Chem_shift_perturbation_software.Method_ID
_Chem_shift_perturbation_software.Method_label
_Chem_shift_perturbation_software.Entry_ID
_Chem_shift_perturbation_software.Chem_shift_perturbation_list_ID
3 $software_3 . . 50449 1
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_Chem_shift_perturbation.ID
_Chem_shift_perturbation.Assembly_atom_ID
_Chem_shift_perturbation.Entity_assembly_ID
_Chem_shift_perturbation.Entity_ID
_Chem_shift_perturbation.Comp_index_ID
_Chem_shift_perturbation.Seq_ID
_Chem_shift_perturbation.Comp_ID
_Chem_shift_perturbation.Atom_ID
_Chem_shift_perturbation.Atom_type
_Chem_shift_perturbation.Atom_isotope_number
_Chem_shift_perturbation.Titration_value
_Chem_shift_perturbation.Titration_value_err
_Chem_shift_perturbation.Chem_shift_val
_Chem_shift_perturbation.Chem_shift_val_err
_Chem_shift_perturbation.Difference_chem_shift_val
_Chem_shift_perturbation.Difference_chem_shift_val_err
_Chem_shift_perturbation.Resonance_ID
_Chem_shift_perturbation.Auth_entity_assembly_ID
_Chem_shift_perturbation.Auth_seq_ID
_Chem_shift_perturbation.Auth_comp_ID
_Chem_shift_perturbation.Auth_atom_ID
_Chem_shift_perturbation.Entry_ID
_Chem_shift_perturbation.Chem_shift_perturbation_list_ID
1 . 1 1 8 8 THR H H 1 . . . . 0.036636412 . . . 29 THR . 50449 1
2 . 1 1 12 12 LEU H H 1 . . . . 0.081231624 . . . 33 LEU . 50449 1
3 . 1 1 13 13 ASP H H 1 . . . . 0.013798188 . . . 34 ASP . 50449 1
4 . 1 1 14 14 SER H H 1 . . . . 0.047878248 . . . 35 SER . 50449 1
5 . 1 1 16 16 ALA H H 1 . . . . 0.027656645 . . . 37 ALA . 50449 1
6 . 1 1 19 19 LEU H H 1 . . . . 0.049228616 . . . 40 LEU . 50449 1
7 . 1 1 20 20 ALA H H 1 . . . . 0.080941378 . . . 41 ALA . 50449 1
8 . 1 1 21 21 GLY H H 1 . . . . 0.174553258 . . . 42 GLY . 50449 1
9 . 1 1 25 25 VAL H H 1 . . . . 0.025595052 . . . 46 VAL . 50449 1
10 . 1 1 27 27 THR H H 1 . . . . 0.086057403 . . . 48 THR . 50449 1
11 . 1 1 30 30 ALA H H 1 . . . . 0.114406323 . . . 51 ALA . 50449 1
12 . 1 1 34 34 ASN H H 1 . . . . 0.111257839 . . . 55 ASN . 50449 1
13 . 1 1 38 38 GLY H H 1 . . . . 0.108606891 . . . 59 GLY . 50449 1
14 . 1 1 39 39 LEU H H 1 . . . . 0.036584377 . . . 60 LEU . 50449 1
15 . 1 1 40 40 ARG H H 1 . . . . 0.014713599 . . . 61 ARG . 50449 1
16 . 1 1 42 42 GLU H H 1 . . . . 0.032733876 . . . 63 GLU . 50449 1
17 . 1 1 43 43 ARG H H 1 . . . . 0.087279723 . . . 64 ARG . 50449 1
18 . 1 1 44 44 ASP H H 1 . . . . 0.020821623 . . . 65 ASP . 50449 1
19 . 1 1 45 45 ALA H H 1 . . . . 0.018760064 . . . 66 ALA . 50449 1
20 . 1 1 46 46 TYR H H 1 . . . . 0.065534393 . . . 67 TYR . 50449 1
21 . 1 1 47 47 GLN H H 1 . . . . 0.035378336 . . . 68 GLN . 50449 1
22 . 1 1 48 48 VAL H H 1 . . . . 0.03039013 . . . 69 VAL . 50449 1
23 . 1 1 49 49 LEU H H 1 . . . . 0.048709616 . . . 70 LEU . 50449 1
24 . 1 1 50 50 ARG H H 1 . . . . 0.033532472 . . . 71 ARG . 50449 1
25 . 1 1 51 51 TYR H H 1 . . . . 0.047374325 . . . 72 TYR . 50449 1
26 . 1 1 53 53 GLU H H 1 . . . . 0.039817793 . . . 74 GLU . 50449 1
27 . 1 1 54 54 ALA H H 1 . . . . 0.047748054 . . . 75 ALA . 50449 1
28 . 1 1 56 56 ALA H H 1 . . . . 0.039317384 . . . 77 ALA . 50449 1
29 . 1 1 57 57 ARG H H 1 . . . . 0.091014871 . . . 78 ARG . 50449 1
30 . 1 1 58 58 TRP H H 1 . . . . 0.040232657 . . . 79 TRP . 50449 1
31 . 1 1 59 59 LEU H H 1 . . . . 0.034004804 . . . 80 LEU . 50449 1
32 . 1 1 65 65 SER H H 1 . . . . 0.036816527 . . . 86 SER . 50449 1
33 . 1 1 67 67 ARG H H 1 . . . . 0.029466195 . . . 88 ARG . 50449 1
34 . 1 1 68 68 LEU H H 1 . . . . 0.033903933 . . . 89 LEU . 50449 1
35 . 1 1 70 70 GLU H H 1 . . . . 0.015010885 . . . 91 GLU . 50449 1
36 . 1 1 71 71 TRP H H 1 . . . . 0.036842593 . . . 92 TRP . 50449 1
37 . 1 1 72 72 ALA H H 1 . . . . 0.036365047 . . . 93 ALA . 50449 1
38 . 1 1 73 73 GLU H H 1 . . . . 0.054341574 . . . 94 GLU . 50449 1
39 . 1 1 74 74 LEU H H 1 . . . . 0.027178607 . . . 95 LEU . 50449 1
40 . 1 1 75 75 THR H H 1 . . . . 0.114252381 . . . 96 THR . 50449 1
41 . 1 1 80 80 GLY H H 1 . . . . 0.121979821 . . . 101 GLY . 50449 1
42 . 1 1 85 85 LEU H H 1 . . . . 0.035444699 . . . 106 LEU . 50449 1
43 . 1 1 86 86 ALA H H 1 . . . . 0.101698083 . . . 107 ALA . 50449 1
44 . 1 1 87 87 GLY H H 1 . . . . 0.061809519 . . . 108 GLY . 50449 1
45 . 1 1 97 97 GLY H H 1 . . . . 0.03070304 . . . 118 GLY . 50449 1
46 . 1 1 98 98 THR H H 1 . . . . 0.039374357 . . . 119 THR . 50449 1
47 . 1 1 99 99 ASP H H 1 . . . . 0.128192733 . . . 120 ASP . 50449 1
48 . 1 1 100 100 GLN H H 1 . . . . 0.03773429 . . . 121 GLN . 50449 1
49 . 1 1 102 102 GLN H H 1 . . . . 0.055634582 . . . 123 GLN . 50449 1
50 . 1 1 103 103 LEU H H 1 . . . . 0.072915476 . . . 124 LEU . 50449 1
51 . 1 1 104 104 LEU H H 1 . . . . 0.138517424 . . . 125 LEU . 50449 1
52 . 1 1 105 105 ILE H H 1 . . . . 0.035888578 . . . 126 ILE . 50449 1
53 . 1 1 109 109 GLY H H 1 . . . . 0.188240821 . . . 130 GLY . 50449 1
54 . 1 1 110 110 GLU H H 1 . . . . 0.132274626 . . . 131 GLU . 50449 1
55 . 1 1 114 114 PHE H H 1 . . . . 0.18845744 . . . 135 PHE . 50449 1
56 . 1 1 115 115 ARG H H 1 . . . . 0.098339005 . . . 136 ARG . 50449 1
57 . 1 1 116 116 LEU H H 1 . . . . 0.323437768 . . . 137 LEU . 50449 1
58 . 1 1 117 117 ARG H H 1 . . . . 0.160339255 . . . 138 ARG . 50449 1
59 . 1 1 118 118 LEU H H 1 . . . . 0.095397205 . . . 139 LEU . 50449 1
60 . 1 1 119 119 ALA H H 1 . . . . 0.019627532 . . . 140 ALA . 50449 1
61 . 1 1 120 120 GLU H H 1 . . . . 0.03569351 . . . 141 GLU . 50449 1
62 . 1 1 121 121 ARG H H 1 . . . . 0.022873784 . . . 142 ARG . 50449 1
63 . 1 1 122 122 GLY H H 1 . . . . 0.02586033 . . . 143 GLY . 50449 1
64 . 1 1 124 124 GLU H H 1 . . . . 0.022776303 . . . 145 GLU . 50449 1
65 . 1 1 125 125 GLY H H 1 . . . . 0.033380783 . . . 146 GLY . 50449 1
66 . 1 1 126 126 ARG H H 1 . . . . 0.048909781 . . . 147 ARG . 50449 1
67 . 1 1 128 128 LEU H H 1 . . . . 0.07997037 . . . 149 LEU . 50449 1
68 . 1 1 132 132 SER H H 1 . . . . 0.173563869 . . . 153 SER . 50449 1
69 . 1 1 141 141 GLU H H 1 . . . . 0.292943043 . . . 162 GLU . 50449 1
70 . 1 1 143 143 ALA H H 1 . . . . 0.195994107 . . . 164 ALA . 50449 1
71 . 1 1 145 145 ARG H H 1 . . . . 0.027527259 . . . 166 ARG . 50449 1
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