Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 51198
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name WW1WW2_CS
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_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
;
Due to domain flexibility (leading to broadening) assignments
were partially based on a related mutant protein.
As this form is the subject of a continuation paper those shifts
will be reported and deposited upon submission of this second
manuscript.
This is mentioned in the Experimental section of the main
citation associated with this deposition.
;
_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' . . . 51198 1
stop_
loop_
_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 $software_1 . . 51198 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_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 5 5 ASP H H 1 8.2 0.01 . 1 . . . . . 16 ASP H . 51198 1
2 . 1 . 1 5 5 ASP N N 15 120.4 0.1 . 1 . . . . . 16 ASP N . 51198 1
3 . 1 . 1 6 6 GLU H H 1 8.45 0.01 . 1 . . . . . 17 GLU H . 51198 1
4 . 1 . 1 6 6 GLU N N 15 121.5 0.1 . 1 . . . . . 17 GLU N . 51198 1
5 . 1 . 1 7 7 LEU H H 1 8.57 0.01 . 1 . . . . . 18 LEU H . 51198 1
6 . 1 . 1 7 7 LEU N N 15 122.7 0.1 . 1 . . . . . 18 LEU N . 51198 1
7 . 1 . 1 10 10 GLY H H 1 8.78 0.01 . 1 . . . . . 21 GLY H . 51198 1
8 . 1 . 1 10 10 GLY N N 15 111.6 0.1 . 1 . . . . . 21 GLY N . 51198 1
9 . 1 . 1 11 11 TRP H H 1 7.74 0.01 . 1 . . . . . 22 TRP H . 51198 1
10 . 1 . 1 11 11 TRP N N 15 121.5 0.1 . 1 . . . . . 22 TRP N . 51198 1
11 . 1 . 1 12 12 GLU H H 1 9.37 0.01 . 1 . . . . . 23 GLU H . 51198 1
12 . 1 . 1 12 12 GLU N N 15 119.4 0.1 . 1 . . . . . 23 GLU N . 51198 1
13 . 1 . 1 13 13 GLU H H 1 8.81 0.01 . 1 . . . . . 24 GLU H . 51198 1
14 . 1 . 1 13 13 GLU N N 15 123.7 0.1 . 1 . . . . . 24 GLU N . 51198 1
15 . 1 . 1 16 16 THR H H 1 9.43 0.01 . 1 . . . . . 27 THR H . 51198 1
16 . 1 . 1 16 16 THR N N 15 116.1 0.1 . 1 . . . . . 27 THR N . 51198 1
17 . 1 . 1 19 19 GLY H H 1 7.9 0.01 . 1 . . . . . 30 GLY H . 51198 1
18 . 1 . 1 19 19 GLY N N 15 106.9 0.1 . 1 . . . . . 30 GLY N . 51198 1
19 . 1 . 1 20 20 TRP H H 1 7.74 0.01 . 1 . . . . . 31 TRP H . 51198 1
20 . 1 . 1 20 20 TRP N N 15 121.5 0.1 . 1 . . . . . 31 TRP N . 51198 1
21 . 1 . 1 23 23 TYR H H 1 8.82 0.01 . 1 . . . . . 34 TYR H . 51198 1
22 . 1 . 1 23 23 TYR N N 15 116 0.1 . 1 . . . . . 34 TYR N . 51198 1
23 . 1 . 1 24 24 ALA H H 1 9.18 0.01 . 1 . . . . . 35 ALA H . 51198 1
24 . 1 . 1 24 24 ALA N N 15 124 0.1 . 1 . . . . . 35 ALA N . 51198 1
25 . 1 . 1 26 26 HIS H H 1 8.82 0.01 . 1 . . . . . 37 HIS H . 51198 1
26 . 1 . 1 26 26 HIS N N 15 123.3 0.1 . 1 . . . . . 37 HIS N . 51198 1
27 . 1 . 1 27 27 THR H H 1 8.5 0.01 . 1 . . . . . 38 THR H . 51198 1
28 . 1 . 1 27 27 THR N N 15 116.5 0.1 . 1 . . . . . 38 THR N . 51198 1
29 . 1 . 1 28 28 GLU H H 1 7.36 0.01 . 1 . . . . . 39 GLU H . 51198 1
30 . 1 . 1 28 28 GLU N N 15 117.6 0.1 . 1 . . . . . 39 GLU N . 51198 1
31 . 1 . 1 29 29 GLU H H 1 7.57 0.01 . 1 . . . . . 40 GLU H . 51198 1
32 . 1 . 1 29 29 GLU N N 15 117.2 0.1 . 1 . . . . . 40 GLU N . 51198 1
33 . 1 . 1 31 31 THR H H 1 8.03 0.01 . 1 . . . . . 42 THR H . 51198 1
34 . 1 . 1 31 31 THR N N 15 109.9 0.1 . 1 . . . . . 42 THR N . 51198 1
35 . 1 . 1 33 33 TRP HE1 H 1 10.7 0.01 . 1 . . . . . 44 TRP HE1 . 51198 1
36 . 1 . 1 33 33 TRP NE1 N 15 129.8 0.1 . 1 . . . . . 44 TRP NE1 . 51198 1
37 . 1 . 1 37 37 LYS H H 1 9.84 0.01 . 1 . . . . . 48 LYS H . 51198 1
38 . 1 . 1 37 37 LYS N N 15 119.7 0.1 . 1 . . . . . 48 LYS N . 51198 1
39 . 1 . 1 38 38 THR H H 1 7.99 0.01 . 1 . . . . . 49 THR H . 51198 1
40 . 1 . 1 38 38 THR N N 15 108.4 0.1 . 1 . . . . . 49 THR N . 51198 1
41 . 1 . 1 39 39 GLY H H 1 8.22 0.01 . 1 . . . . . 50 GLY H . 51198 1
42 . 1 . 1 39 39 GLY N N 15 109.6 0.1 . 1 . . . . . 50 GLY N . 51198 1
43 . 1 . 1 40 40 LYS H H 1 7.54 0.01 . 1 . . . . . 51 LYS H . 51198 1
44 . 1 . 1 40 40 LYS N N 15 117.9 0.1 . 1 . . . . . 51 LYS N . 51198 1
45 . 1 . 1 43 43 ARG H H 1 9 0.01 . 1 . . . . . 54 ARG H . 51198 1
46 . 1 . 1 43 43 ARG N N 15 123.7 0.1 . 1 . . . . . 54 ARG N . 51198 1
47 . 1 . 1 45 45 ALA H H 1 8.34 0.01 . 1 . . . . . 56 ALA H . 51198 1
48 . 1 . 1 45 45 ALA N N 15 125.6 0.1 . 1 . . . . . 56 ALA N . 51198 1
49 . 1 . 1 46 46 GLY H H 1 8.07 0.01 . 1 . . . . . 57 GLY H . 51198 1
50 . 1 . 1 46 46 GLY N N 15 107.5 0.1 . 1 . . . . . 57 GLY N . 51198 1
51 . 1 . 1 47 47 ASP H H 1 8.18 0.01 . 1 . . . . . 58 ASP H . 51198 1
52 . 1 . 1 47 47 ASP N N 15 119.9 0.1 . 1 . . . . . 58 ASP N . 51198 1
53 . 1 . 1 50 50 TYR H H 1 8.49 0.01 . 1 . . . . . 61 TYR H . 51198 1
54 . 1 . 1 50 50 TYR N N 15 121.1 0.1 . 1 . . . . . 61 TYR N . 51198 1
55 . 1 . 1 51 51 GLY H H 1 8.32 0.01 . 1 . . . . . 62 GLY H . 51198 1
56 . 1 . 1 51 51 GLY N N 15 115 0.1 . 1 . . . . . 62 GLY N . 51198 1
57 . 1 . 1 52 52 TRP H H 1 7.77 0.01 . 1 . . . . . 63 TRP H . 51198 1
58 . 1 . 1 52 52 TRP HE1 H 1 10.06 0.01 . 1 . . . . . 63 TRP HE1 . 51198 1
59 . 1 . 1 52 52 TRP N N 15 118.3 0.1 . 1 . . . . . 63 TRP N . 51198 1
60 . 1 . 1 52 52 TRP NE1 N 15 129.5 0.1 . 1 . . . . . 63 TRP NE1 . 51198 1
61 . 1 . 1 53 53 GLU H H 1 9.33 0.01 . 1 . . . . . 64 GLU H . 51198 1
62 . 1 . 1 53 53 GLU N N 15 120.3 0.1 . 1 . . . . . 64 GLU N . 51198 1
63 . 1 . 1 54 54 GLN H H 1 8.85 0.01 . 1 . . . . . 65 GLN H . 51198 1
64 . 1 . 1 54 54 GLN HE21 H 1 6.91 0.01 . 2 . . . . . 65 GLN HE21 . 51198 1
65 . 1 . 1 54 54 GLN HE22 H 1 7.67 0.01 . 2 . . . . . 65 GLN HE22 . 51198 1
66 . 1 . 1 54 54 GLN N N 15 122.4 0.1 . 1 . . . . . 65 GLN N . 51198 1
67 . 1 . 1 54 54 GLN NE2 N 15 113.3 0.1 . 1 . . . . . 65 GLN NE2 . 51198 1
68 . 1 . 1 55 55 GLU H H 1 8.41 0.01 . 1 . . . . . 66 GLU H . 51198 1
69 . 1 . 1 55 55 GLU N N 15 126.4 0.1 . 1 . . . . . 66 GLU N . 51198 1
70 . 1 . 1 56 56 THR H H 1 8.22 0.01 . 1 . . . . . 67 THR H . 51198 1
71 . 1 . 1 56 56 THR N N 15 113.3 0.1 . 1 . . . . . 67 THR N . 51198 1
72 . 1 . 1 57 57 ASP H H 1 9.24 0.01 . 1 . . . . . 68 ASP H . 51198 1
73 . 1 . 1 57 57 ASP N N 15 125.9 0.1 . 1 . . . . . 68 ASP N . 51198 1
74 . 1 . 1 58 58 GLU H H 1 9.15 0.01 . 1 . . . . . 69 GLU H . 51198 1
75 . 1 . 1 58 58 GLU N N 15 117.5 0.1 . 1 . . . . . 69 GLU N . 51198 1
76 . 1 . 1 59 59 ASN H H 1 8.44 0.01 . 1 . . . . . 70 ASN H . 51198 1
77 . 1 . 1 59 59 ASN HD21 H 1 6.98 0.01 . 2 . . . . . 70 ASN HD21 . 51198 1
78 . 1 . 1 59 59 ASN HD22 H 1 7.85 0.01 . 2 . . . . . 70 ASN HD22 . 51198 1
79 . 1 . 1 59 59 ASN N N 15 117.3 0.1 . 1 . . . . . 70 ASN N . 51198 1
80 . 1 . 1 59 59 ASN ND2 N 15 115 0.1 . 1 . . . . . 70 ASN ND2 . 51198 1
81 . 1 . 1 60 60 GLY H H 1 8.19 0.01 . 1 . . . . . 71 GLY H . 51198 1
82 . 1 . 1 60 60 GLY N N 15 108.8 0.1 . 1 . . . . . 71 GLY N . 51198 1
83 . 1 . 1 61 61 GLN H H 1 8.55 0.01 . 1 . . . . . 72 GLN H . 51198 1
84 . 1 . 1 61 61 GLN HE21 H 1 6.8 0.01 . 2 . . . . . 72 GLN HE21 . 51198 1
85 . 1 . 1 61 61 GLN HE22 H 1 7.14 0.01 . 2 . . . . . 72 GLN HE22 . 51198 1
86 . 1 . 1 61 61 GLN N N 15 122.2 0.1 . 1 . . . . . 72 GLN N . 51198 1
87 . 1 . 1 61 61 GLN NE2 N 15 112.1 0.1 . 1 . . . . . 72 GLN NE2 . 51198 1
88 . 1 . 1 62 62 VAL H H 1 8.42 0.01 . 1 . . . . . 73 VAL H . 51198 1
89 . 1 . 1 62 62 VAL N N 15 124.5 0.1 . 1 . . . . . 73 VAL N . 51198 1
90 . 1 . 1 63 63 PHE H H 1 8.55 0.01 . 1 . . . . . 74 PHE H . 51198 1
91 . 1 . 1 63 63 PHE N N 15 122.2 0.1 . 1 . . . . . 74 PHE N . 51198 1
92 . 1 . 1 64 64 PHE H H 1 8.97 0.01 . 1 . . . . . 75 PHE H . 51198 1
93 . 1 . 1 64 64 PHE N N 15 116.6 0.1 . 1 . . . . . 75 PHE N . 51198 1
94 . 1 . 1 65 65 VAL H H 1 9.23 0.01 . 1 . . . . . 76 VAL H . 51198 1
95 . 1 . 1 65 65 VAL N N 15 122.1 0.1 . 1 . . . . . 76 VAL N . 51198 1
96 . 1 . 1 66 66 ASP H H 1 8.34 0.01 . 1 . . . . . 77 ASP H . 51198 1
97 . 1 . 1 66 66 ASP N N 15 126.6 0.1 . 1 . . . . . 77 ASP N . 51198 1
98 . 1 . 1 67 67 HIS H H 1 8.63 0.01 . 1 . . . . . 78 HIS H . 51198 1
99 . 1 . 1 67 67 HIS N N 15 121.8 0.1 . 1 . . . . . 78 HIS N . 51198 1
100 . 1 . 1 68 68 ILE H H 1 8.06 0.01 . 1 . . . . . 79 ILE H . 51198 1
101 . 1 . 1 68 68 ILE N N 15 120.5 0.1 . 1 . . . . . 79 ILE N . 51198 1
102 . 1 . 1 69 69 ASN H H 1 7.56 0.01 . 1 . . . . . 80 ASN H . 51198 1
103 . 1 . 1 69 69 ASN HD21 H 1 7.06 0.01 . 2 . . . . . 80 ASN HD21 . 51198 1
104 . 1 . 1 69 69 ASN N N 15 115.3 0.1 . 1 . . . . . 80 ASN N . 51198 1
105 . 1 . 1 69 69 ASN ND2 N 15 119.2 0.1 . 1 . . . . . 80 ASN ND2 . 51198 1
106 . 1 . 1 70 70 LYS H H 1 7.46 0.01 . 1 . . . . . 81 LYS H . 51198 1
107 . 1 . 1 70 70 LYS N N 15 117 0.1 . 1 . . . . . 81 LYS N . 51198 1
108 . 1 . 1 71 71 ARG H H 1 7.46 0.01 . 1 . . . . . 82 ARG H . 51198 1
109 . 1 . 1 71 71 ARG N N 15 117 0.1 . 1 . . . . . 82 ARG N . 51198 1
110 . 1 . 1 72 72 THR H H 1 8.48 0.01 . 1 . . . . . 83 THR H . 51198 1
111 . 1 . 1 72 72 THR N N 15 114.6 0.1 . 1 . . . . . 83 THR N . 51198 1
112 . 1 . 1 73 73 THR H H 1 9.4 0.01 . 1 . . . . . 84 THR H . 51198 1
113 . 1 . 1 73 73 THR N N 15 117.9 0.1 . 1 . . . . . 84 THR N . 51198 1
114 . 1 . 1 74 74 TYR H H 1 9 0.01 . 1 . . . . . 85 TYR H . 51198 1
115 . 1 . 1 74 74 TYR N N 15 124.8 0.1 . 1 . . . . . 85 TYR N . 51198 1
116 . 1 . 1 75 75 LEU H H 1 8.59 0.01 . 1 . . . . . 86 LEU H . 51198 1
117 . 1 . 1 75 75 LEU N N 15 125.1 0.1 . 1 . . . . . 86 LEU N . 51198 1
118 . 1 . 1 76 76 ASP H H 1 8.23 0.01 . 1 . . . . . 87 ASP H . 51198 1
119 . 1 . 1 76 76 ASP N N 15 126.5 0.1 . 1 . . . . . 87 ASP N . 51198 1
120 . 1 . 1 78 78 ARG H H 1 8.47 0.01 . 1 . . . . . 89 ARG H . 51198 1
121 . 1 . 1 78 78 ARG N N 15 118.3 0.1 . 1 . . . . . 89 ARG N . 51198 1
122 . 1 . 1 79 79 LEU H H 1 7.33 0.01 . 1 . . . . . 90 LEU H . 51198 1
123 . 1 . 1 79 79 LEU N N 15 118.4 0.1 . 1 . . . . . 90 LEU N . 51198 1
124 . 1 . 1 80 80 ALA H H 1 7.28 0.01 . 1 . . . . . 91 ALA H . 51198 1
125 . 1 . 1 80 80 ALA N N 15 129 0.1 . 1 . . . . . 91 ALA N . 51198 1
stop_
save_