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 6616
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $P5_conditions
_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 '1H TOCSY' 1 $sample_1 isotropic 6616 1
2 '1H COSY' 1 $sample_1 isotropic 6616 1
3 '1H NOESY' 1 $sample_1 isotropic 6616 1
4 '1H ROESY' 1 $sample_1 isotropic 6616 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 $NMRView5 . . 6616 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 GLY HA2 H 1 4.040 0.02 . 2 . . . . 1 GLY HA1 . 6616 1
2 . 1 1 2 2 LYS H H 1 8.100 0.02 . 1 . . . . 2 LYS HN . 6616 1
3 . 1 1 2 2 LYS HA H 1 4.477 0.02 . 1 . . . . 2 LYS HA . 6616 1
4 . 1 1 2 2 LYS HB2 H 1 1.843 0.02 . 2 . . . . 2 LYS HB1 . 6616 1
5 . 1 1 2 2 LYS HB3 H 1 1.911 0.02 . 2 . . . . 2 LYS HB2 . 6616 1
6 . 1 1 2 2 LYS HG2 H 1 1.522 0.02 . 2 . . . . 2 LYS HG1 . 6616 1
7 . 1 1 2 2 LYS HG3 H 1 1.761 0.02 . 2 . . . . 2 LYS HG2 . 6616 1
8 . 1 1 2 2 LYS HE2 H 1 3.041 0.02 . 2 . . . . 2 LYS HE2 . 6616 1
9 . 1 1 3 3 VAL H H 1 8.174 0.02 . 1 . . . . 3 VAL HN . 6616 1
10 . 1 1 3 3 VAL HA H 1 4.050 0.02 . 1 . . . . 3 VAL HA . 6616 1
11 . 1 1 3 3 VAL HB H 1 2.129 0.02 . 1 . . . . 3 VAL HB . 6616 1
12 . 1 1 3 3 VAL HG11 H 1 1.054 0.02 . 2 . . . . 3 VAL HG1 . 6616 1
13 . 1 1 3 3 VAL HG12 H 1 1.054 0.02 . 2 . . . . 3 VAL HG1 . 6616 1
14 . 1 1 3 3 VAL HG13 H 1 1.054 0.02 . 2 . . . . 3 VAL HG1 . 6616 1
15 . 1 1 3 3 VAL HG21 H 1 1.003 0.02 . 2 . . . . 3 VAL HG2 . 6616 1
16 . 1 1 3 3 VAL HG22 H 1 1.003 0.02 . 2 . . . . 3 VAL HG2 . 6616 1
17 . 1 1 3 3 VAL HG23 H 1 1.003 0.02 . 2 . . . . 3 VAL HG2 . 6616 1
18 . 1 1 4 4 LEU H H 1 7.920 0.02 . 1 . . . . 4 LEU HN . 6616 1
19 . 1 1 4 4 LEU HA H 1 4.358 0.02 . 1 . . . . 4 LEU HA . 6616 1
20 . 1 1 4 4 LEU HB2 H 1 1.724 0.02 . 2 . . . . 4 LEU HB2 . 6616 1
21 . 1 1 4 4 LEU HD11 H 1 0.988 0.02 . 2 . . . . 4 LEU HD1 . 6616 1
22 . 1 1 4 4 LEU HD12 H 1 0.988 0.02 . 2 . . . . 4 LEU HD1 . 6616 1
23 . 1 1 4 4 LEU HD13 H 1 0.988 0.02 . 2 . . . . 4 LEU HD1 . 6616 1
24 . 1 1 4 4 LEU HD21 H 1 0.929 0.02 . 2 . . . . 4 LEU HD2 . 6616 1
25 . 1 1 4 4 LEU HD22 H 1 0.929 0.02 . 2 . . . . 4 LEU HD2 . 6616 1
26 . 1 1 4 4 LEU HD23 H 1 0.929 0.02 . 2 . . . . 4 LEU HD2 . 6616 1
27 . 1 1 5 5 ASP H H 1 8.078 0.02 . 1 . . . . 5 ASP HN . 6616 1
28 . 1 1 5 5 ASP HA H 1 4.526 0.02 . 1 . . . . 5 ASP HA . 6616 1
29 . 1 1 5 5 ASP HB2 H 1 2.757 0.02 . 2 . . . . 5 ASP HB1 . 6616 1
30 . 1 1 5 5 ASP HB3 H 1 2.790 0.02 . 2 . . . . 5 ASP HB2 . 6616 1
31 . 1 1 6 6 LYS H H 1 7.943 0.02 . 1 . . . . 6 LYS HN . 6616 1
32 . 1 1 6 6 LYS HA H 1 4.139 0.02 . 1 . . . . 6 LYS HA . 6616 1
33 . 1 1 6 6 LYS HB2 H 1 1.673 0.02 . 2 . . . . 6 LYS HB1 . 6616 1
34 . 1 1 6 6 LYS HB3 H 1 1.824 0.02 . 2 . . . . 6 LYS HB2 . 6616 1
35 . 1 1 6 6 LYS HG2 H 1 1.377 0.02 . 2 . . . . 6 LYS HG2 . 6616 1
36 . 1 1 7 7 PHE H H 1 8.101 0.02 . 1 . . . . 7 PHE HN . 6616 1
37 . 1 1 7 7 PHE HA H 1 4.477 0.02 . 1 . . . . 7 PHE HA . 6616 1
38 . 1 1 7 7 PHE HB2 H 1 3.163 0.02 . 2 . . . . 7 PHE HB1 . 6616 1
39 . 1 1 7 7 PHE HB3 H 1 3.233 0.02 . 2 . . . . 7 PHE HB2 . 6616 1
40 . 1 1 7 7 PHE HD1 H 1 7.242 0.02 . 1 . . . . 7 PHE HD1 . 6616 1
41 . 1 1 7 7 PHE HD2 H 1 7.242 0.02 . 1 . . . . 7 PHE HD2 . 6616 1
42 . 1 1 7 7 PHE HE1 H 1 7.314 0.02 . 1 . . . . 7 PHE HE1 . 6616 1
43 . 1 1 7 7 PHE HE2 H 1 7.314 0.02 . 1 . . . . 7 PHE HE2 . 6616 1
44 . 1 1 8 8 GLY H H 1 8.423 0.02 . 1 . . . . 8 GLY HN . 6616 1
45 . 1 1 8 8 GLY HA2 H 1 3.796 0.02 . 2 . . . . 8 GLY HA1 . 6616 1
46 . 1 1 8 8 GLY HA3 H 1 3.996 0.02 . 2 . . . . 8 GLY HA2 . 6616 1
47 . 1 1 9 9 LYS H H 1 7.872 0.02 . 1 . . . . 9 LYS HN . 6616 1
48 . 1 1 9 9 LYS HA H 1 4.215 0.02 . 1 . . . . 9 LYS HA . 6616 1
49 . 1 1 9 9 LYS HB2 H 1 1.745 0.02 . 2 . . . . 9 LYS HB1 . 6616 1
50 . 1 1 9 9 LYS HB3 H 1 1.939 0.02 . 2 . . . . 9 LYS HB2 . 6616 1
51 . 1 1 9 9 LYS HG2 H 1 1.520 0.02 . 2 . . . . 9 LYS HG2 . 6616 1
52 . 1 1 9 9 LYS HD2 H 1 1.649 0.02 . 2 . . . . 9 LYS HD2 . 6616 1
53 . 1 1 10 10 ILE H H 1 7.726 0.02 . 1 . . . . 10 ILE HN . 6616 1
54 . 1 1 10 10 ILE HA H 1 3.944 0.02 . 1 . . . . 10 ILE HA . 6616 1
55 . 1 1 10 10 ILE HB H 1 2.025 0.02 . 1 . . . . 10 ILE HB . 6616 1
56 . 1 1 10 10 ILE HG12 H 1 1.236 0.02 . 1 . . . . 10 ILE HG1 . 6616 1
57 . 1 1 10 10 ILE HG13 H 1 1.236 0.02 . 1 . . . . 10 ILE HG1 . 6616 1
58 . 1 1 10 10 ILE HD11 H 1 0.937 0.02 . 1 . . . . 10 ILE HD1 . 6616 1
59 . 1 1 10 10 ILE HD12 H 1 0.937 0.02 . 1 . . . . 10 ILE HD1 . 6616 1
60 . 1 1 10 10 ILE HD13 H 1 0.937 0.02 . 1 . . . . 10 ILE HD1 . 6616 1
61 . 1 1 11 11 VAL H H 1 8.064 0.02 . 1 . . . . 11 VAL HN . 6616 1
62 . 1 1 11 11 VAL HA H 1 3.602 0.02 . 1 . . . . 11 VAL HA . 6616 1
63 . 1 1 11 11 VAL HB H 1 1.931 0.02 . 1 . . . . 11 VAL HB . 6616 1
64 . 1 1 11 11 VAL HG11 H 1 0.895 0.02 . 2 . . . . 11 VAL HG1 . 6616 1
65 . 1 1 11 11 VAL HG12 H 1 0.895 0.02 . 2 . . . . 11 VAL HG1 . 6616 1
66 . 1 1 11 11 VAL HG13 H 1 0.895 0.02 . 2 . . . . 11 VAL HG1 . 6616 1
67 . 1 1 11 11 VAL HG21 H 1 0.863 0.02 . 2 . . . . 11 VAL HG2 . 6616 1
68 . 1 1 11 11 VAL HG22 H 1 0.863 0.02 . 2 . . . . 11 VAL HG2 . 6616 1
69 . 1 1 11 11 VAL HG23 H 1 0.863 0.02 . 2 . . . . 11 VAL HG2 . 6616 1
70 . 1 1 12 12 GLY H H 1 8.052 0.02 . 1 . . . . 12 GLY HN . 6616 1
71 . 1 1 12 12 GLY HA2 H 1 3.805 0.02 . 2 . . . . 12 GLY HA1 . 6616 1
72 . 1 1 12 12 GLY HA3 H 1 3.890 0.02 . 2 . . . . 12 GLY HA2 . 6616 1
73 . 1 1 13 13 LYS H H 1 7.567 0.02 . 1 . . . . 13 LYS HN . 6616 1
74 . 1 1 13 13 LYS HA H 1 4.147 0.02 . 1 . . . . 13 LYS HA . 6616 1
75 . 1 1 13 13 LYS HB2 H 1 1.749 0.02 . 2 . . . . 13 LYS HB1 . 6616 1
76 . 1 1 13 13 LYS HB3 H 1 2.061 0.02 . 2 . . . . 13 LYS HB2 . 6616 1
77 . 1 1 13 13 LYS HG2 H 1 1.670 0.02 . 2 . . . . 13 LYS HG2 . 6616 1
78 . 1 1 13 13 LYS HE2 H 1 3.030 0.02 . 2 . . . . 13 LYS HE2 . 6616 1
79 . 1 1 14 14 VAL H H 1 8.009 0.02 . 1 . . . . 14 VAL HN . 6616 1
80 . 1 1 14 14 VAL HA H 1 3.701 0.02 . 1 . . . . 14 VAL HA . 6616 1
81 . 1 1 14 14 VAL HB H 1 2.282 0.02 . 1 . . . . 14 VAL HB . 6616 1
82 . 1 1 14 14 VAL HG11 H 1 0.965 0.02 . 2 . . . . 14 VAL HG1 . 6616 1
83 . 1 1 14 14 VAL HG12 H 1 0.965 0.02 . 2 . . . . 14 VAL HG1 . 6616 1
84 . 1 1 14 14 VAL HG13 H 1 0.965 0.02 . 2 . . . . 14 VAL HG1 . 6616 1
85 . 1 1 14 14 VAL HG21 H 1 1.054 0.02 . 2 . . . . 14 VAL HG2 . 6616 1
86 . 1 1 14 14 VAL HG22 H 1 1.054 0.02 . 2 . . . . 14 VAL HG2 . 6616 1
87 . 1 1 14 14 VAL HG23 H 1 1.054 0.02 . 2 . . . . 14 VAL HG2 . 6616 1
88 . 1 1 15 15 LEU H H 1 8.565 0.02 . 1 . . . . 15 LEU HN . 6616 1
89 . 1 1 15 15 LEU HA H 1 4.089 0.02 . 1 . . . . 15 LEU HA . 6616 1
90 . 1 1 15 15 LEU HB2 H 1 1.896 0.02 . 2 . . . . 15 LEU HB2 . 6616 1
91 . 1 1 15 15 LEU HG H 1 1.534 0.02 . 1 . . . . 15 LEU HG . 6616 1
92 . 1 1 15 15 LEU HD11 H 1 0.891 0.02 . 2 . . . . 15 LEU HD1 . 6616 1
93 . 1 1 15 15 LEU HD12 H 1 0.891 0.02 . 2 . . . . 15 LEU HD1 . 6616 1
94 . 1 1 15 15 LEU HD13 H 1 0.891 0.02 . 2 . . . . 15 LEU HD1 . 6616 1
95 . 1 1 16 16 LYS H H 1 7.766 0.02 . 1 . . . . 16 LYS HN . 6616 1
96 . 1 1 16 16 LYS HA H 1 4.019 0.02 . 1 . . . . 16 LYS HA . 6616 1
97 . 1 1 16 16 LYS HB2 H 1 1.743 0.02 . 2 . . . . 16 LYS HB1 . 6616 1
98 . 1 1 16 16 LYS HB3 H 1 2.014 0.02 . 2 . . . . 16 LYS HB2 . 6616 1
99 . 1 1 16 16 LYS HG2 H 1 1.500 0.02 . 2 . . . . 16 LYS HG2 . 6616 1
100 . 1 1 17 17 GLN H H 1 7.802 0.02 . 1 . . . . 17 GLN HN . 6616 1
101 . 1 1 17 17 GLN HA H 1 4.232 0.02 . 1 . . . . 17 GLN HA . 6616 1
102 . 1 1 17 17 GLN HB2 H 1 2.277 0.02 . 2 . . . . 17 GLN HB1 . 6616 1
103 . 1 1 17 17 GLN HB3 H 1 2.320 0.02 . 2 . . . . 17 GLN HB2 . 6616 1
104 . 1 1 17 17 GLN HG2 H 1 2.485 0.02 . 2 . . . . 17 GLN HG2 . 6616 1
105 . 1 1 18 18 LEU H H 1 8.503 0.02 . 1 . . . . 18 LEU HN . 6616 1
106 . 1 1 18 18 LEU HA H 1 4.181 0.02 . 1 . . . . 18 LEU HA . 6616 1
107 . 1 1 18 18 LEU HB2 H 1 1.916 0.02 . 2 . . . . 18 LEU HB2 . 6616 1
108 . 1 1 18 18 LEU HG H 1 1.615 0.02 . 1 . . . . 18 LEU HG . 6616 1
109 . 1 1 18 18 LEU HD11 H 1 0.888 0.02 . 2 . . . . 18 LEU HD1 . 6616 1
110 . 1 1 18 18 LEU HD12 H 1 0.888 0.02 . 2 . . . . 18 LEU HD1 . 6616 1
111 . 1 1 18 18 LEU HD13 H 1 0.888 0.02 . 2 . . . . 18 LEU HD1 . 6616 1
112 . 1 1 19 19 LYS H H 1 8.231 0.02 . 1 . . . . 19 LYS HN . 6616 1
113 . 1 1 19 19 LYS HA H 1 4.079 0.02 . 1 . . . . 19 LYS HA . 6616 1
114 . 1 1 19 19 LYS HB2 H 1 1.607 0.02 . 2 . . . . 19 LYS HB1 . 6616 1
115 . 1 1 19 19 LYS HB3 H 1 1.989 0.02 . 2 . . . . 19 LYS HB2 . 6616 1
116 . 1 1 19 19 LYS HG2 H 1 1.531 0.02 . 2 . . . . 19 LYS HG2 . 6616 1
117 . 1 1 20 20 LYS H H 1 7.722 0.02 . 1 . . . . 20 LYS HN . 6616 1
118 . 1 1 20 20 LYS HA H 1 4.196 0.02 . 1 . . . . 20 LYS HA . 6616 1
119 . 1 1 20 20 LYS HB2 H 1 1.627 0.02 . 2 . . . . 20 LYS HB1 . 6616 1
120 . 1 1 20 20 LYS HB3 H 1 1.753 0.02 . 2 . . . . 20 LYS HB2 . 6616 1
121 . 1 1 20 20 LYS HG2 H 1 1.499 0.02 . 2 . . . . 20 LYS HG2 . 6616 1
122 . 1 1 21 21 VAL H H 1 7.772 0.02 . 1 . . . . 21 VAL HN . 6616 1
123 . 1 1 21 21 VAL HA H 1 4.045 0.02 . 1 . . . . 21 VAL HA . 6616 1
124 . 1 1 21 21 VAL HB H 1 2.236 0.02 . 1 . . . . 21 VAL HB . 6616 1
125 . 1 1 21 21 VAL HG11 H 1 1.003 0.02 . 2 . . . . 21 VAL HG1 . 6616 1
126 . 1 1 21 21 VAL HG12 H 1 1.003 0.02 . 2 . . . . 21 VAL HG1 . 6616 1
127 . 1 1 21 21 VAL HG13 H 1 1.003 0.02 . 2 . . . . 21 VAL HG1 . 6616 1
128 . 1 1 21 21 VAL HG21 H 1 1.057 0.02 . 2 . . . . 21 VAL HG2 . 6616 1
129 . 1 1 21 21 VAL HG22 H 1 1.057 0.02 . 2 . . . . 21 VAL HG2 . 6616 1
130 . 1 1 21 21 VAL HG23 H 1 1.057 0.02 . 2 . . . . 21 VAL HG2 . 6616 1
131 . 1 1 22 22 SER H H 1 8.115 0.02 . 1 . . . . 22 SER HN . 6616 1
132 . 1 1 22 22 SER HA H 1 4.300 0.02 . 1 . . . . 22 SER HA . 6616 1
133 . 1 1 22 22 SER HB2 H 1 4.003 0.02 . 2 . . . . 22 SER HB2 . 6616 1
134 . 1 1 23 23 ALA H H 1 7.744 0.02 . 1 . . . . 23 ALA HN . 6616 1
135 . 1 1 23 23 ALA HA H 1 4.335 0.02 . 1 . . . . 23 ALA HA . 6616 1
136 . 1 1 23 23 ALA HB1 H 1 1.556 0.02 . 1 . . . . 23 ALA HB . 6616 1
137 . 1 1 23 23 ALA HB2 H 1 1.556 0.02 . 1 . . . . 23 ALA HB . 6616 1
138 . 1 1 23 23 ALA HB3 H 1 1.556 0.02 . 1 . . . . 23 ALA HB . 6616 1
139 . 1 1 24 24 VAL H H 1 8.106 0.02 . 1 . . . . 24 VAL HN . 6616 1
140 . 1 1 24 24 VAL HA H 1 3.921 0.02 . 1 . . . . 24 VAL HA . 6616 1
141 . 1 1 24 24 VAL HB H 1 2.248 0.02 . 1 . . . . 24 VAL HB . 6616 1
142 . 1 1 24 24 VAL HG11 H 1 1.012 0.02 . 2 . . . . 24 VAL HG1 . 6616 1
143 . 1 1 24 24 VAL HG12 H 1 1.012 0.02 . 2 . . . . 24 VAL HG1 . 6616 1
144 . 1 1 24 24 VAL HG13 H 1 1.012 0.02 . 2 . . . . 24 VAL HG1 . 6616 1
145 . 1 1 24 24 VAL HG21 H 1 1.107 0.02 . 2 . . . . 24 VAL HG2 . 6616 1
146 . 1 1 24 24 VAL HG22 H 1 1.107 0.02 . 2 . . . . 24 VAL HG2 . 6616 1
147 . 1 1 24 24 VAL HG23 H 1 1.107 0.02 . 2 . . . . 24 VAL HG2 . 6616 1
148 . 1 1 25 25 ALA H H 1 8.057 0.02 . 1 . . . . 25 ALA HN . 6616 1
149 . 1 1 25 25 ALA HA H 1 4.296 0.02 . 1 . . . . 25 ALA HA . 6616 1
150 . 1 1 25 25 ALA HB1 H 1 1.468 0.02 . 1 . . . . 25 ALA HB . 6616 1
151 . 1 1 25 25 ALA HB2 H 1 1.468 0.02 . 1 . . . . 25 ALA HB . 6616 1
152 . 1 1 25 25 ALA HB3 H 1 1.468 0.02 . 1 . . . . 25 ALA HB . 6616 1
153 . 1 1 26 26 LYS H H 1 7.807 0.02 . 1 . . . . 26 LYS HN . 6616 1
154 . 1 1 26 26 LYS HA H 1 4.336 0.02 . 1 . . . . 26 LYS HA . 6616 1
155 . 1 1 26 26 LYS HB2 H 1 1.745 0.02 . 2 . . . . 26 LYS HB1 . 6616 1
156 . 1 1 26 26 LYS HB3 H 1 1.924 0.02 . 2 . . . . 26 LYS HB2 . 6616 1
157 . 1 1 27 27 VAL H H 1 7.745 0.02 . 1 . . . . 27 VAL HN . 6616 1
158 . 1 1 27 27 VAL HA H 1 4.147 0.02 . 1 . . . . 27 VAL HA . 6616 1
159 . 1 1 27 27 VAL HB H 1 2.167 0.02 . 1 . . . . 27 VAL HB . 6616 1
160 . 1 1 27 27 VAL HG21 H 1 1.014 0.02 . 2 . . . . 27 VAL HG2 . 6616 1
161 . 1 1 27 27 VAL HG22 H 1 1.014 0.02 . 2 . . . . 27 VAL HG2 . 6616 1
162 . 1 1 27 27 VAL HG23 H 1 1.014 0.02 . 2 . . . . 27 VAL HG2 . 6616 1
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save_