Content for NMR-STAR saveframe, "chem_shift_list_1"
save_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 6992
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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 .
_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 COSY . . . 6992 1
2 TOCSY . . . 6992 1
3 '1H-15N HSQC' . . . 6992 1
4 '1H-13C HSQC' . . . 6992 1
5 NOE . . . 6992 1
stop_
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 1 1 NAG H H 1 8.36 0.01 . . . . . . . NAG1 H . 6992 1
2 . 1 1 1 1 NAG H81 H 1 2.0 0.01 . . . . . . . NAG1 CH3 . 6992 1
3 . 1 1 1 1 NAG H82 H 1 2.0 0.01 . . . . . . . NAG1 CH3 . 6992 1
4 . 1 1 1 1 NAG H83 H 1 2.0 0.01 . . . . . . . NAG1 CH3 . 6992 1
5 . 1 1 1 1 NAG H1 H 1 4.47 0.01 . . . . . . . NAG1 H1 . 6992 1
6 . 1 1 1 1 NAG H2 H 1 3.69 0.01 . . . . . . . NAG1 H2 . 6992 1
7 . 1 1 1 1 NAG H3 H 1 3.51 0.01 . . . . . . . NAG1 H3 . 6992 1
8 . 1 1 1 1 NAG H4 H 1 3.84 0.01 . . . . . . . NAG1 H4 . 6992 1
9 . 1 1 1 1 NAG H5 H 1 3.37 0.01 . . . . . . . NAG1 H5 . 6992 1
10 . 1 1 1 1 NAG H6 H 1 3.86 0.01 . . . . . . . NAG1 H6 . 6992 1
11 . 1 1 1 1 NAG C8 C 13 22.83 0.1 . . . . . . . NAG1 CH3 . 6992 1
12 . 1 1 1 1 NAG C1 C 13 101.0 0.1 . . . . . . . NAG1 C1 . 6992 1
13 . 1 1 1 1 NAG C2 C 13 56.79 0.1 . . . . . . . NAG1 C2 . 6992 1
14 . 1 1 1 1 NAG C3 C 13 74.32 0.1 . . . . . . . NAG1 C3 . 6992 1
15 . 1 1 1 1 NAG C4 C 13 75.62 0.1 . . . . . . . NAG1 C4 . 6992 1
16 . 1 1 1 1 NAG C5 C 13 76.83 0.1 . . . . . . . NAG1 C5 . 6992 1
17 . 1 1 1 1 NAG C6 C 13 60.69 0.1 . . . . . . . NAG1 C6 . 6992 1
18 . 1 1 1 1 NAG N N 15 122.92 0.1 . . . . . . . NAG1 N . 6992 1
19 . 1 1 2 2 NAM H H 1 7.95 0.01 . . . . . . . NAM1 H . 6992 1
20 . 1 1 2 2 NAM H1 H 1 4.47 0.01 . . . . . . . NAM1 H1 . 6992 1
21 . 1 1 2 2 NAM H2 H 1 3.78 0.01 . . . . . . . NAM1 H2 . 6992 1
22 . 1 1 2 2 NAM H3 H 1 3.6 0.01 . . . . . . . NAM1 H3 . 6992 1
23 . 1 1 2 2 NAM H4 H 1 3.82 0.01 . . . . . . . NAM1 H4 . 6992 1
24 . 1 1 2 2 NAM H5 H 1 3.47 0.01 . . . . . . . NAM1 H5 . 6992 1
25 . 1 1 2 2 NAM H6 H 1 3.90 0.01 . . . . . . . NAM1 H6 . 6992 1
26 . 1 1 2 2 NAM C1 C 13 101.9 0.1 . . . . . . . NAM1 C1 . 6992 1
27 . 1 1 2 2 NAM C2 C 13 55.4 0.1 . . . . . . . NAM1 C2 . 6992 1
28 . 1 1 2 2 NAM C3 C 13 80.08 0.1 . . . . . . . NAM1 C3 . 6992 1
29 . 1 1 2 2 NAM C4 C 13 75.62 0.1 . . . . . . . NAM1 C4 . 6992 1
30 . 1 1 2 2 NAM C5 C 13 75.81 0.1 . . . . . . . NAM1 C5 . 6992 1
31 . 1 1 2 2 NAM C6 C 13 61.89 0.1 . . . . . . . NAM1 C6 . 6992 1
32 . 1 1 2 2 NAM C8 C 13 23.02 0.1 . . . . . . . NAM1 CH3 . 6992 1
33 . 1 1 2 2 NAM N N 15 121.9 0.1 . . . . . . . NAM1 N . 6992 1
34 . 1 1 3 3 DGL HA H 1 4.35 0.01 . . . . . . . D-Lac1 HA . 6992 1
35 . 1 1 3 3 DGL HB H 1 1.35 0.01 . . . . . . . D-Lac1 HB . 6992 1
36 . 1 1 3 3 DGL CA C 13 78.96 0.1 . . . . . . . D-Lac1 CA . 6992 1
37 . 1 1 3 3 DGL CB C 13 18.75 0.1 . . . . . . . D-Lac1 CB . 6992 1
38 . 1 1 4 4 DAL H H 1 8.27 0.01 . . . . . . . L-Ala1 H . 6992 1
39 . 1 1 4 4 DAL HA H 1 4.29 0.01 . . . . . . . L-Ala1 HA . 6992 1
40 . 1 1 4 4 DAL HB1 H 1 1.39 0.01 . . . . . . . L-Ala1 HB . 6992 1
41 . 1 1 4 4 DAL HB2 H 1 1.39 0.01 . . . . . . . L-Ala1 HB . 6992 1
42 . 1 1 4 4 DAL HB3 H 1 1.39 0.01 . . . . . . . L-Ala1 HB . 6992 1
43 . 1 1 4 4 DAL CA C 13 50.48 0.1 . . . . . . . L-Ala1 CA . 6992 1
44 . 1 1 4 4 DAL CB C 13 17.73 0.1 . . . . . . . L-Ala1 CB . 6992 1
45 . 1 1 4 4 DAL N N 15 126.83 0.1 . . . . . . . L-Ala1 N . 6992 1
46 . 1 1 5 5 GLU H H 1 8.11 0.01 . . . . . . . Glu1 H . 6992 1
47 . 1 1 5 5 GLU HA H 1 4.28 0.01 . . . . . . . Glu1 HA . 6992 1
48 . 1 1 5 5 GLU HB2 H 1 2.08 0.01 . . . . . . . Glu1 HB . 6992 1
49 . 1 1 5 5 GLU HB3 H 1 1.91 0.01 . . . . . . . Glu1 HB . 6992 1
50 . 1 1 5 5 GLU HG2 H 1 2.28 0.01 . . . . . . . Glu1 HG . 6992 1
51 . 1 1 5 5 GLU CA C 13 28.59 0.1 . . . . . . . Glu1 CA . 6992 1
52 . 1 1 5 5 GLU CB C 13 28.59 0.1 . . . . . . . Glu1 CB . 6992 1
53 . 1 1 5 5 GLU CG C 13 32.2 0.1 . . . . . . . Glu1 CG . 6992 1
54 . 1 1 5 5 GLU N N 15 122.81 0.1 . . . . . . . Glu1 N . 6992 1
55 . 1 1 6 6 LYS H H 1 8.23 0.01 . . . . . . . Lys1 H . 6992 1
56 . 1 1 6 6 LYS HA H 1 4.2 0.01 . . . . . . . Lys1 HA . 6992 1
57 . 1 1 6 6 LYS HB2 H 1 1.76 0.01 . . . . . . . Lys1 HB . 6992 1
58 . 1 1 6 6 LYS HB3 H 1 1.73 0.01 . . . . . . . Lys1 HB . 6992 1
59 . 1 1 6 6 LYS HG2 H 1 1.43 0.01 . . . . . . . Lys1 HG . 6992 1
60 . 1 1 6 6 LYS HG3 H 1 1.38 0.01 . . . . . . . Lys1 HG . 6992 1
61 . 1 1 6 6 LYS HD2 H 1 1.65 0.01 . . . . . . . Lys1 HD . 6992 1
62 . 1 1 6 6 LYS HE2 H 1 2.97 0.01 . . . . . . . Lys1 HE . 6992 1
63 . 1 1 6 6 LYS HZ1 H 1 7.5 0.01 . . . . . . . Lys1 HZ . 6992 1
64 . 1 1 6 6 LYS HZ2 H 1 7.5 0.01 . . . . . . . Lys1 HZ . 6992 1
65 . 1 1 6 6 LYS HZ3 H 1 7.5 0.01 . . . . . . . Lys1 HZ . 6992 1
66 . 1 1 6 6 LYS CA C 13 54.66 0.1 . . . . . . . Lys1 CA . 6992 1
67 . 1 1 6 6 LYS CB C 13 31.09 0.1 . . . . . . . Lys1 CB . 6992 1
68 . 1 1 6 6 LYS CG C 13 22.65 0.1 . . . . . . . Lys1 CG . 6992 1
69 . 1 1 6 6 LYS CD C 13 27.1 0.1 . . . . . . . Lys1 CD . 6992 1
70 . 1 1 6 6 LYS CE C 13 40.09 0.1 . . . . . . . Lys1 CE . 6992 1
71 . 1 1 6 6 LYS N N 15 125.86 0.1 . . . . . . . Lys1 N . 6992 1
72 . 1 1 7 7 DAL H H 1 8.28 0.01 . . . . . . . D-Ala2 H . 6992 1
73 . 1 1 7 7 DAL HA H 1 4.29 0.01 . . . . . . . D-Ala2 HA . 6992 1
74 . 1 1 7 7 DAL HB H 1 1.33 0.01 . . . . . . . D-Ala2 HB . 6992 1
75 . 1 1 7 7 DAL CA C 13 50.48 0.1 . . . . . . . D-Ala2 CA . 6992 1
76 . 1 1 7 7 DAL CB C 13 17.27 0.1 . . . . . . . D-Ala2 CB . 6992 1
77 . 1 1 7 7 DAL N N 15 127.25 0.1 . . . . . . . D-Ala2 N . 6992 1
78 . 1 1 8 8 DAL H H 1 8.02 0.01 . . . . . . . D-Ala1 H . 6992 1
79 . 1 1 8 8 DAL HA H 1 4.13 0.01 . . . . . . . D-Ala1 HA . 6992 1
80 . 1 1 8 8 DAL HB H 1 1.33 0.01 . . . . . . . D-Ala1 HB . 6992 1
81 . 1 1 8 8 DAL CA C 13 50.95 0.1 . . . . . . . D-Ala1 CA . 6992 1
82 . 1 1 8 8 DAL CB C 13 17.64 0.1 . . . . . . . D-Ala1 CB . 6992 1
83 . 1 1 8 8 DAL N N 15 126.83 0.1 . . . . . . . D-Ala1 N . 6992 1
84 . 1 1 9 9 NAG H H 1 8.41 0.01 . . . . . . . NAG2 H . 6992 1
85 . 1 1 9 9 NAG H1 H 1 4.46 0.01 . . . . . . . NAG2 H1 . 6992 1
86 . 1 1 9 9 NAG H2 H 1 3.72 0.01 . . . . . . . NAG2 H2 . 6992 1
87 . 1 1 9 9 NAG H3 H 1 3.65 0.01 . . . . . . . NAG2 H3 . 6992 1
88 . 1 1 9 9 NAG H4 H 1 3.52 0.01 . . . . . . . NAG2 H4 . 6992 1
89 . 1 1 9 9 NAG H5 H 1 3.42 0.01 . . . . . . . NAG2 H5 . 6992 1
90 . 1 1 9 9 NAG H6 H 1 3.86 0.01 . . . . . . . NAG2 H6 . 6992 1
91 . 1 1 9 9 NAG CH3 C 13 22.83 0.1 . . . . . . . NAG2 CH3 . 6992 1
92 . 1 1 9 9 NAG C1 C 13 101.0 0.1 . . . . . . . NAG2 C1 . 6992 1
93 . 1 1 9 9 NAG C2 C 13 56.14 0.1 . . . . . . . NAG2 C2 . 6992 1
94 . 1 1 9 9 NAG C3 C 13 72.94 0.1 . . . . . . . NAG2 C3 . 6992 1
95 . 1 1 9 9 NAG C4 C 13 80.17 0.1 . . . . . . . NAG2 C4 . 6992 1
96 . 1 1 9 9 NAG C5 C 13 75.44 0.1 . . . . . . . NAG2 C5 . 6992 1
97 . 1 1 9 9 NAG C6 C 13 60.69 0.1 . . . . . . . NAG2 C6 . 6992 1
98 . 1 1 10 10 NAM H H 1 7.63 0.01 . . . . . . . NAM2 H . 6992 1
99 . 1 1 10 10 NAM H1 H 1 4.33 0.01 . . . . . . . NAM2 H1 . 6992 1
100 . 1 1 10 10 NAM H2 H 1 3.7 0.01 . . . . . . . NAM2 H2 . 6992 1
101 . 1 1 10 10 NAM H3 H 1 3.56 0.01 . . . . . . . NAM2 H3 . 6992 1
102 . 1 1 10 10 NAM H4 H 1 3.78 0.01 . . . . . . . NAM2 H4 . 6992 1
103 . 1 1 10 10 NAM H5 H 1 3.43 0.01 . . . . . . . NAM2 H5 . 6992 1
104 . 1 1 10 10 NAM H6 H 1 3.82 0.01 . . . . . . . NAM2 H6 . 6992 1
105 . 1 1 10 10 NAM C8 C 13 23.11 0.1 . . . . . . . NAM2 CH3 . 6992 1
106 . 1 1 10 10 NAM C1 C 13 102.69 0.1 . . . . . . . NAM2 C1 . 6992 1
107 . 1 1 10 10 NAM C2 C 13 56.7 0.1 . . . . . . . NAM2 C2 . 6992 1
108 . 1 1 10 10 NAM C3 C 13 80.08 0.1 . . . . . . . NAM2 C3 . 6992 1
109 . 1 1 10 10 NAM C4 C 13 76.09 0.1 . . . . . . . NAM2 C4 . 6992 1
110 . 1 1 10 10 NAM C5 C 13 75.81 0.1 . . . . . . . NAM2 C5 . 6992 1
111 . 1 1 10 10 NAM C6 C 13 61.06 0.1 . . . . . . . NAM2 C6 . 6992 1
112 . 1 1 10 10 NAM N N 15 122.96 0.1 . . . . . . . NAM2 N . 6992 1
113 . 1 1 11 11 DGL HA H 1 4.37 0.01 . . . . . . . D-Lac2 HA . 6992 1
114 . 1 1 11 11 DGL HB H 1 1.33 0.01 . . . . . . . D-Lac2 HB . 6992 1
115 . 1 1 11 11 DGL CA C 13 78.68 0.1 . . . . . . . D-Lac2 CA . 6992 1
116 . 1 1 11 11 DGL CB C 13 18.66 0.1 . . . . . . . D-Lac2 CB . 6992 1
117 . 1 1 12 12 DAL N N 15 124.68 0.1 . . . . . . . D-Ala2 N . 6992 1
118 . 1 1 12 12 DAL H H 1 8.31 0.01 . . . . . . . D-Ala2 H . 6992 1
119 . 1 1 12 12 DAL HA H 1 4.29 0.01 . . . . . . . D-Ala2 HA . 6992 1
120 . 1 1 12 12 DAL HB1 H 1 1.39 0.01 . . . . . . . D-Ala2 HB . 6992 1
121 . 1 1 12 12 DAL HB2 H 1 1.39 0.01 . . . . . . . D-Ala2 HB . 6992 1
122 . 1 1 12 12 DAL HB3 H 1 1.39 0.01 . . . . . . . D-Ala2 HB . 6992 1
123 . 1 1 12 12 DAL CA C 13 50.48 0.1 . . . . . . . D-Ala2 CA . 6992 1
124 . 1 1 12 12 DAL CB C 13 17.73 0.1 . . . . . . . D-Ala2 CB . 6992 1
125 . 1 1 13 13 GLU H H 1 8.13 0.01 . . . . . . . Glu2 H . 6992 1
126 . 1 1 13 13 GLU HA H 1 4.27 0.01 . . . . . . . Glu2 HA . 6992 1
127 . 1 1 13 13 GLU HB2 H 1 2.08 0.01 . . . . . . . Glu2 HB . 6992 1
128 . 1 1 13 13 GLU HB3 H 1 1.91 0.01 . . . . . . . Glu2 HB . 6992 1
129 . 1 1 13 13 GLU HG2 H 1 2.28 0.01 . . . . . . . Glu2 HG . 6992 1
130 . 1 1 13 13 GLU CA C 13 54.47 0.1 . . . . . . . Glu2 CA . 6992 1
131 . 1 1 13 13 GLU CB C 13 28.59 0.1 . . . . . . . Glu2 CB . 6992 1
132 . 1 1 13 13 GLU N N 15 123.02 0.1 . . . . . . . Glu2 N . 6992 1
133 . 1 1 14 14 LYS H H 1 8.23 0.01 . . . . . . . Lys2 H . 6992 1
134 . 1 1 14 14 LYS HA H 1 4.2 0.01 . . . . . . . Lys2 HA . 6992 1
135 . 1 1 14 14 LYS HB2 H 1 1.76 0.01 . . . . . . . Lys2 HB . 6992 1
136 . 1 1 14 14 LYS HB3 H 1 1.73 0.01 . . . . . . . Lys2 HB . 6992 1
137 . 1 1 14 14 LYS HG2 H 1 1.43 0.01 . . . . . . . Lys2 HG . 6992 1
138 . 1 1 14 14 LYS HG3 H 1 1.38 0.01 . . . . . . . Lys2 HG . 6992 1
139 . 1 1 14 14 LYS HD2 H 1 1.65 0.01 . . . . . . . Lys2 HD . 6992 1
140 . 1 1 14 14 LYS HE3 H 1 2.97 0.01 . . . . . . . Lys2 HE . 6992 1
141 . 1 1 14 14 LYS HZ1 H 1 7.5 0.01 . . . . . . . Lys2 HZ . 6992 1
142 . 1 1 14 14 LYS HZ2 H 1 7.5 0.01 . . . . . . . Lys2 HZ . 6992 1
143 . 1 1 14 14 LYS HZ3 H 1 7.5 0.01 . . . . . . . Lys2 HZ . 6992 1
144 . 1 1 14 14 LYS CA C 13 54.66 0.1 . . . . . . . Lys2 CA . 6992 1
145 . 1 1 14 14 LYS CB C 13 31.09 0.1 . . . . . . . Lys2 CB . 6992 1
146 . 1 1 14 14 LYS CG C 13 22.65 0.1 . . . . . . . Lys2 CG . 6992 1
147 . 1 1 14 14 LYS CD C 13 27.1 0.1 . . . . . . . Lys2 CD . 6992 1
148 . 1 1 14 14 LYS CE C 13 40.09 0.1 . . . . . . . Lys2 CE . 6992 1
149 . 1 1 14 14 LYS N N 15 125.86 0.1 . . . . . . . Lys2 N . 6992 1
150 . 1 1 15 15 DAL H H 1 8.28 0.01 . . . . . . . D-Ala4 H . 6992 1
151 . 1 1 15 15 DAL HA H 1 4.29 0.01 . . . . . . . D-Ala4 HA . 6992 1
152 . 1 1 15 15 DAL HB H 1 1.33 0.01 . . . . . . . D-Ala4 HB . 6992 1
153 . 1 1 15 15 DAL CA C 13 50.48 0.1 . . . . . . . D-Ala4 CA . 6992 1
154 . 1 1 15 15 DAL CB C 13 17.27 0.1 . . . . . . . D-Ala4 CB . 6992 1
155 . 1 1 15 15 DAL N N 15 124.68 0.1 . . . . . . . D-Ala4 N . 6992 1
156 . 1 1 16 16 DAL H H 1 8.02 0.01 . . . . . . . D-Ala3 H . 6992 1
157 . 1 1 16 16 DAL HA H 1 4.13 0.01 . . . . . . . D-Ala3 HA . 6992 1
158 . 1 1 16 16 DAL HB H 1 1.33 0.01 . . . . . . . D-Ala3 HB . 6992 1
159 . 1 1 16 16 DAL CA C 13 50.95 0.1 . . . . . . . D-Ala3 CA . 6992 1
160 . 1 1 16 16 DAL CB C 13 17.64 0.1 . . . . . . . D-Ala3 CB . 6992 1
161 . 1 1 16 16 DAL N N 15 126.83 0.1 . . . . . . . D-Ala3 N . 6992 1
stop_
save_