Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 19603
_Assigned_chem_shift_list.ID 1
_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 $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 .
_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-1H TOCSY' 1 $sample_1 isotropic 19603 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 19603 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 PHE HA H 1 4.700 0.000 . . . . . . 1 PHE HA . 19603 1
2 . 1 1 1 1 PHE HB2 H 1 2.872 0.001 . . . . . . 1 PHE HB2 . 19603 1
3 . 1 1 2 2 LEU H H 1 8.327 0.001 . . . . . . 2 LEU H . 19603 1
4 . 1 1 2 2 LEU HA H 1 3.716 0.001 . . . . . . 2 LEU HA . 19603 1
5 . 1 1 2 2 LEU HB2 H 1 1.510 0.000 . . . . . . 2 LEU HB2 . 19603 1
6 . 1 1 2 2 LEU HB3 H 1 1.310 0.003 . . . . . . 2 LEU HB3 . 19603 1
7 . 1 1 2 2 LEU HD11 H 1 0.688 0.000 . . . . . . 2 LEU QD1 . 19603 1
8 . 1 1 2 2 LEU HD12 H 1 0.688 0.000 . . . . . . 2 LEU QD1 . 19603 1
9 . 1 1 2 2 LEU HD13 H 1 0.688 0.000 . . . . . . 2 LEU QD1 . 19603 1
10 . 1 1 2 2 LEU HD21 H 1 0.734 0.002 . . . . . . 2 LEU QD2 . 19603 1
11 . 1 1 2 2 LEU HD22 H 1 0.734 0.002 . . . . . . 2 LEU QD2 . 19603 1
12 . 1 1 2 2 LEU HD23 H 1 0.734 0.002 . . . . . . 2 LEU QD2 . 19603 1
13 . 1 1 2 2 LEU HG H 1 1.247 0.000 . . . . . . 2 LEU HG . 19603 1
14 . 1 1 3 3 TRP H H 1 8.216 0.010 . . . . . . 3 TRP H . 19603 1
15 . 1 1 3 3 TRP HA H 1 4.160 0.001 . . . . . . 3 TRP HA . 19603 1
16 . 1 1 3 3 TRP HB2 H 1 3.200 0.001 . . . . . . 3 TRP HB2 . 19603 1
17 . 1 1 3 3 TRP HB3 H 1 3.290 0.004 . . . . . . 3 TRP HB3 . 19603 1
18 . 1 1 3 3 TRP HD1 H 1 7.429 0.001 . . . . . . 3 TRP HD1 . 19603 1
19 . 1 1 3 3 TRP HE3 H 1 7.325 0.001 . . . . . . 3 TRP HE3 . 19603 1
20 . 1 1 3 3 TRP HH2 H 1 6.998 0.001 . . . . . . 3 TRP HH2 . 19603 1
21 . 1 1 3 3 TRP HZ2 H 1 7.101 0.002 . . . . . . 3 TRP HZ2 . 19603 1
22 . 1 1 3 3 TRP HZ3 H 1 6.867 0.000 . . . . . . 3 TRP HZ3 . 19603 1
23 . 1 1 4 4 GLY H H 1 7.910 0.001 . . . . . . 4 GLY H . 19603 1
24 . 1 1 4 4 GLY HA2 H 1 3.801 0.004 . . . . . . 4 GLY HA2 . 19603 1
25 . 1 1 5 5 LEU H H 1 8.757 0.002 . . . . . . 5 LEU H . 19603 1
26 . 1 1 5 5 LEU HA H 1 4.364 0.003 . . . . . . 5 LEU HA . 19603 1
27 . 1 1 5 5 LEU HB2 H 1 1.487 0.000 . . . . . . 5 LEU HB2 . 19603 1
28 . 1 1 5 5 LEU HB3 H 1 1.633 0.000 . . . . . . 5 LEU HB3 . 19603 1
29 . 1 1 5 5 LEU HD11 H 1 0.863 0.000 . . . . . . 5 LEU HD1 . 19603 1
30 . 1 1 5 5 LEU HD12 H 1 0.863 0.000 . . . . . . 5 LEU HD1 . 19603 1
31 . 1 1 5 5 LEU HD13 H 1 0.863 0.000 . . . . . . 5 LEU HD1 . 19603 1
32 . 1 1 5 5 LEU HD21 H 1 0.900 0.000 . . . . . . 5 LEU HD2 . 19603 1
33 . 1 1 5 5 LEU HD22 H 1 0.900 0.000 . . . . . . 5 LEU HD2 . 19603 1
34 . 1 1 5 5 LEU HD23 H 1 0.900 0.000 . . . . . . 5 LEU HD2 . 19603 1
35 . 1 1 6 6 ILE H H 1 8.868 0.001 . . . . . . 6 ILE H . 19603 1
36 . 1 1 6 6 ILE HA H 1 4.110 0.001 . . . . . . 6 ILE HA . 19603 1
37 . 1 1 6 6 ILE HB H 1 1.843 0.000 . . . . . . 6 ILE HB . 19603 1
38 . 1 1 6 6 ILE HD11 H 1 0.881 0.000 . . . . . . 6 ILE HD1 . 19603 1
39 . 1 1 6 6 ILE HD12 H 1 0.881 0.000 . . . . . . 6 ILE HD1 . 19603 1
40 . 1 1 6 6 ILE HD13 H 1 0.881 0.000 . . . . . . 6 ILE HD1 . 19603 1
41 . 1 1 6 6 ILE HG12 H 1 1.489 0.000 . . . . . . 6 ILE HG12 . 19603 1
42 . 1 1 6 6 ILE HG21 H 1 0.911 0.000 . . . . . . 6 ILE HG2 . 19603 1
43 . 1 1 6 6 ILE HG22 H 1 0.911 0.000 . . . . . . 6 ILE HG2 . 19603 1
44 . 1 1 6 6 ILE HG23 H 1 0.911 0.000 . . . . . . 6 ILE HG2 . 19603 1
45 . 1 1 7 7 PRO HB2 H 1 2.282 0.006 . . . . . . 7 PRO HB2 . 19603 1
46 . 1 1 7 7 PRO HB3 H 1 2.185 0.000 . . . . . . 7 PRO HB3 . 19603 1
47 . 1 1 7 7 PRO HD2 H 1 3.612 0.000 . . . . . . 7 PRO HD2 . 19603 1
48 . 1 1 7 7 PRO HD3 H 1 3.567 0.000 . . . . . . 7 PRO HD3 . 19603 1
49 . 1 1 7 7 PRO HG2 H 1 1.989 0.000 . . . . . . 7 PRO HG2 . 19603 1
50 . 1 1 8 8 GLY H H 1 8.196 0.000 . . . . . . 8 GLY H . 19603 1
51 . 1 1 8 8 GLY HA2 H 1 3.910 0.000 . . . . . . 8 GLY HA2 . 19603 1
52 . 1 1 9 9 ALA H H 1 8.258 0.001 . . . . . . 9 ALA H . 19603 1
53 . 1 1 9 9 ALA HA H 1 4.131 0.001 . . . . . . 9 ALA HA . 19603 1
54 . 1 1 9 9 ALA HB1 H 1 1.454 0.001 . . . . . . 9 ALA HB . 19603 1
55 . 1 1 9 9 ALA HB2 H 1 1.454 0.001 . . . . . . 9 ALA HB . 19603 1
56 . 1 1 9 9 ALA HB3 H 1 1.454 0.001 . . . . . . 9 ALA HB . 19603 1
57 . 1 1 10 10 ILE H H 1 8.318 0.005 . . . . . . 10 ILE H . 19603 1
58 . 1 1 10 10 ILE HA H 1 3.623 0.002 . . . . . . 10 ILE HA . 19603 1
59 . 1 1 10 10 ILE HB H 1 1.956 0.000 . . . . . . 10 ILE HB . 19603 1
60 . 1 1 10 10 ILE HD11 H 1 0.805 0.003 . . . . . . 10 ILE HD1 . 19603 1
61 . 1 1 10 10 ILE HD12 H 1 0.805 0.003 . . . . . . 10 ILE HD1 . 19603 1
62 . 1 1 10 10 ILE HD13 H 1 0.805 0.003 . . . . . . 10 ILE HD1 . 19603 1
63 . 1 1 10 10 ILE HG12 H 1 1.168 0.000 . . . . . . 10 ILE HG12 . 19603 1
64 . 1 1 10 10 ILE HG21 H 1 0.867 0.001 . . . . . . 10 ILE HG2 . 19603 1
65 . 1 1 10 10 ILE HG22 H 1 0.867 0.001 . . . . . . 10 ILE HG2 . 19603 1
66 . 1 1 10 10 ILE HG23 H 1 0.867 0.001 . . . . . . 10 ILE HG2 . 19603 1
67 . 1 1 11 11 SER H H 1 8.254 0.001 . . . . . . 11 SER H . 19603 1
68 . 1 1 11 11 SER HA H 1 4.172 0.005 . . . . . . 11 SER HA . 19603 1
69 . 1 1 11 11 SER HB2 H 1 3.934 0.002 . . . . . . 11 SER HB2 . 19603 1
70 . 1 1 12 12 ALA H H 1 8.012 0.001 . . . . . . 12 ALA H . 19603 1
71 . 1 1 12 12 ALA HA H 1 4.159 0.002 . . . . . . 12 ALA HA . 19603 1
72 . 1 1 12 12 ALA HB1 H 1 1.498 0.001 . . . . . . 12 ALA HB . 19603 1
73 . 1 1 12 12 ALA HB2 H 1 1.498 0.001 . . . . . . 12 ALA HB . 19603 1
74 . 1 1 12 12 ALA HB3 H 1 1.498 0.001 . . . . . . 12 ALA HB . 19603 1
75 . 1 1 13 13 VAL H H 1 8.161 0.002 . . . . . . 13 VAL H . 19603 1
76 . 1 1 13 13 VAL HA H 1 3.697 0.001 . . . . . . 13 VAL HA . 19603 1
77 . 1 1 13 13 VAL HB H 1 2.172 0.001 . . . . . . 13 VAL HB . 19603 1
78 . 1 1 13 13 VAL HG11 H 1 1.040 0.001 . . . . . . 13 VAL HG1 . 19603 1
79 . 1 1 13 13 VAL HG12 H 1 1.040 0.001 . . . . . . 13 VAL HG1 . 19603 1
80 . 1 1 13 13 VAL HG13 H 1 1.040 0.001 . . . . . . 13 VAL HG1 . 19603 1
81 . 1 1 13 13 VAL HG21 H 1 0.924 0.001 . . . . . . 13 VAL HG2 . 19603 1
82 . 1 1 13 13 VAL HG22 H 1 0.924 0.001 . . . . . . 13 VAL HG2 . 19603 1
83 . 1 1 13 13 VAL HG23 H 1 0.924 0.001 . . . . . . 13 VAL HG2 . 19603 1
84 . 1 1 14 14 THR H H 1 8.255 0.001 . . . . . . 14 THR H . 19603 1
85 . 1 1 14 14 THR HA H 1 4.292 0.002 . . . . . . 14 THR HA . 19603 1
86 . 1 1 14 14 THR HB H 1 3.833 0.008 . . . . . . 14 THR HB . 19603 1
87 . 1 1 14 14 THR HG21 H 1 1.236 0.003 . . . . . . 14 THR HG2 . 19603 1
88 . 1 1 14 14 THR HG22 H 1 1.236 0.003 . . . . . . 14 THR HG2 . 19603 1
89 . 1 1 14 14 THR HG23 H 1 1.236 0.003 . . . . . . 14 THR HG2 . 19603 1
90 . 1 1 15 15 SER H H 1 7.766 0.001 . . . . . . 15 SER H . 19603 1
91 . 1 1 15 15 SER HA H 1 4.233 0.002 . . . . . . 15 SER HA . 19603 1
92 . 1 1 15 15 SER HB2 H 1 4.162 0.000 . . . . . . 15 SER HB2 . 19603 1
93 . 1 1 16 16 LEU H H 1 7.578 0.002 . . . . . . 16 LEU H . 19603 1
94 . 1 1 16 16 LEU HA H 1 4.162 0.002 . . . . . . 16 LEU HA . 19603 1
95 . 1 1 16 16 LEU HB2 H 1 2.172 0.001 . . . . . . 16 LEU HB2 . 19603 1
96 . 1 1 16 16 LEU HB3 H 1 1.903 0.001 . . . . . . 16 LEU HB3 . 19603 1
97 . 1 1 16 16 LEU HD11 H 1 0.888 0.000 . . . . . . 16 LEU QD1 . 19603 1
98 . 1 1 16 16 LEU HD12 H 1 0.888 0.000 . . . . . . 16 LEU QD1 . 19603 1
99 . 1 1 16 16 LEU HD13 H 1 0.888 0.000 . . . . . . 16 LEU QD1 . 19603 1
100 . 1 1 16 16 LEU HD21 H 1 0.802 0.000 . . . . . . 16 LEU QD2 . 19603 1
101 . 1 1 16 16 LEU HD22 H 1 0.802 0.000 . . . . . . 16 LEU QD2 . 19603 1
102 . 1 1 16 16 LEU HD23 H 1 0.802 0.000 . . . . . . 16 LEU QD2 . 19603 1
103 . 1 1 16 16 LEU HG H 1 1.827 0.000 . . . . . . 16 LEU HG . 19603 1
104 . 1 1 17 17 ILE H H 1 7.466 0.001 . . . . . . 17 ILE H . 19603 1
105 . 1 1 17 17 ILE HA H 1 4.039 0.001 . . . . . . 17 ILE HA . 19603 1
106 . 1 1 17 17 ILE HB H 1 1.961 0.001 . . . . . . 17 ILE HB . 19603 1
107 . 1 1 17 17 ILE HD11 H 1 0.800 0.000 . . . . . . 17 ILE HD1 . 19603 1
108 . 1 1 17 17 ILE HD12 H 1 0.800 0.000 . . . . . . 17 ILE HD1 . 19603 1
109 . 1 1 17 17 ILE HD13 H 1 0.800 0.000 . . . . . . 17 ILE HD1 . 19603 1
110 . 1 1 17 17 ILE HG12 H 1 1.240 0.001 . . . . . . 17 ILE HG12 . 19603 1
111 . 1 1 17 17 ILE HG13 H 1 1.040 0.001 . . . . . . 17 ILE HG13 . 19603 1
112 . 1 1 17 17 ILE HG21 H 1 0.885 0.001 . . . . . . 17 ILE HG2 . 19603 1
113 . 1 1 17 17 ILE HG22 H 1 0.885 0.001 . . . . . . 17 ILE HG2 . 19603 1
114 . 1 1 17 17 ILE HG23 H 1 0.885 0.001 . . . . . . 17 ILE HG2 . 19603 1
115 . 1 1 18 18 LYS H H 1 7.751 0.004 . . . . . . 18 LYS H . 19603 1
116 . 1 1 18 18 LYS HA H 1 4.237 0.000 . . . . . . 18 LYS HA . 19603 1
117 . 1 1 18 18 LYS HB2 H 1 1.961 0.000 . . . . . . 18 LYS HB2 . 19603 1
118 . 1 1 18 18 LYS HB3 H 1 1.851 0.000 . . . . . . 18 LYS HB3 . 19603 1
119 . 1 1 18 18 LYS HD2 H 1 1.757 0.002 . . . . . . 18 LYS HD2 . 19603 1
120 . 1 1 18 18 LYS HD3 H 1 1.621 0.000 . . . . . . 18 LYS HD3 . 19603 1
121 . 1 1 18 18 LYS HE2 H 1 2.919 0.000 . . . . . . 18 LYS HE2 . 19603 1
122 . 1 1 18 18 LYS HG2 H 1 1.416 0.002 . . . . . . 18 LYS HG2 . 19603 1
123 . 1 1 18 18 LYS HG3 H 1 1.470 0.003 . . . . . . 18 LYS HG3 . 19603 1
124 . 1 1 19 19 LYS H H 1 7.863 0.001 . . . . . . 19 LYS H . 19603 1
125 . 1 1 19 19 LYS HA H 1 4.239 0.000 . . . . . . 19 LYS HA . 19603 1
126 . 1 1 19 19 LYS HB2 H 1 1.830 0.000 . . . . . . 19 LYS HB2 . 19603 1
127 . 1 1 19 19 LYS HB3 H 1 1.757 0.000 . . . . . . 19 LYS HB3 . 19603 1
128 . 1 1 19 19 LYS HD2 H 1 1.638 0.000 . . . . . . 19 LYS HD2 . 19603 1
129 . 1 1 19 19 LYS HE2 H 1 2.928 0.000 . . . . . . 19 LYS HE2 . 19603 1
130 . 1 1 19 19 LYS HG2 H 1 1.419 0.000 . . . . . . 19 LYS HG2 . 19603 1
stop_
save_