Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 50374
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name CB1_water_25C
_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 'Chemical shifts measured at 25oC'
_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
8 '2D 1H-1H TOCSY' . . . 50374 2
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
2 $software_2 . . 50374 2
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 2 2 THR H H 1 8.203 0.002 . 1 . . . . . 1 THR H . 50374 2
2 . 1 . 1 2 2 THR HA H 1 4.289 0.002 . 1 . . . . . 1 THR HA . 50374 2
3 . 1 . 1 2 2 THR HB H 1 4.127 0.001 . 1 . . . . . 1 THR HB . 50374 2
4 . 1 . 1 2 2 THR HG21 H 1 1.187 0.002 . 1 . . . . . 1 THR QG2 . 50374 2
5 . 1 . 1 2 2 THR HG22 H 1 1.187 0.002 . 1 . . . . . 1 THR QG2 . 50374 2
6 . 1 . 1 2 2 THR HG23 H 1 1.187 0.002 . 1 . . . . . 1 THR QG2 . 50374 2
7 . 1 . 1 3 3 VAL H H 1 8.230 0.002 . 1 . . . . . 2 VAL H . 50374 2
8 . 1 . 1 3 3 VAL HA H 1 4.121 0.000 . 1 . . . . . 2 VAL HA . 50374 2
9 . 1 . 1 3 3 VAL HB H 1 2.030 0.000 . 1 . . . . . 2 VAL HB . 50374 2
10 . 1 . 1 3 3 VAL HG11 H 1 0.917 0.000 . 2 . . . . . 2 VAL QG1 . 50374 2
11 . 1 . 1 3 3 VAL HG12 H 1 0.917 0.000 . 2 . . . . . 2 VAL QG1 . 50374 2
12 . 1 . 1 3 3 VAL HG13 H 1 0.917 0.000 . 2 . . . . . 2 VAL QG1 . 50374 2
13 . 1 . 1 3 3 VAL HG21 H 1 0.881 0.000 . 2 . . . . . 2 VAL QG2 . 50374 2
14 . 1 . 1 3 3 VAL HG22 H 1 0.881 0.000 . 2 . . . . . 2 VAL QG2 . 50374 2
15 . 1 . 1 3 3 VAL HG23 H 1 0.881 0.000 . 2 . . . . . 2 VAL QG2 . 50374 2
16 . 1 . 1 4 4 ASN H H 1 8.544 0.001 . 1 . . . . . 3 ASN H . 50374 2
17 . 1 . 1 4 4 ASN HA H 1 4.962 0.000 . 1 . . . . . 3 ASN HA . 50374 2
18 . 1 . 1 4 4 ASN HB2 H 1 2.846 0.000 . 2 . . . . . 3 ASN HB2 . 50374 2
19 . 1 . 1 4 4 ASN HB3 H 1 2.725 0.000 . 2 . . . . . 3 ASN HB3 . 50374 2
20 . 1 . 1 4 4 ASN HD21 H 1 6.953 0.000 . 2 . . . . . 3 ASN HD21 . 50374 2
21 . 1 . 1 4 4 ASN HD22 H 1 7.672 0.001 . 2 . . . . . 3 ASN HD22 . 50374 2
22 . 1 . 1 5 5 PRO HA H 1 4.383 0.000 . 1 . . . . . 4 PRO HA . 50374 2
23 . 1 . 1 5 5 PRO HB2 H 1 2.298 0.002 . 2 . . . . . 4 PRO HB2 . 50374 2
24 . 1 . 1 5 5 PRO HB3 H 1 1.926 0.002 . 2 . . . . . 4 PRO HB3 . 50374 2
25 . 1 . 1 5 5 PRO HG2 H 1 2.020 0.001 . 2 . . . . . 4 PRO HG2 . 50374 2
26 . 1 . 1 5 5 PRO HG3 H 1 2.020 0.001 . 2 . . . . . 4 PRO HG3 . 50374 2
27 . 1 . 1 5 5 PRO HD2 H 1 3.865 0.000 . 2 . . . . . 4 PRO HD2 . 50374 2
28 . 1 . 1 5 5 PRO HD3 H 1 3.768 0.000 . 2 . . . . . 4 PRO HD3 . 50374 2
29 . 1 . 1 6 6 ILE H H 1 8.089 0.002 . 1 . . . . . 5 ILE H . 50374 2
30 . 1 . 1 6 6 ILE HA H 1 4.003 0.000 . 1 . . . . . 5 ILE HA . 50374 2
31 . 1 . 1 6 6 ILE HB H 1 1.792 0.007 . 1 . . . . . 5 ILE HB . 50374 2
32 . 1 . 1 6 6 ILE HG21 H 1 0.735 0.000 . 1 . . . . . 5 ILE QG2 . 50374 2
33 . 1 . 1 6 6 ILE HG22 H 1 0.735 0.000 . 1 . . . . . 5 ILE QG2 . 50374 2
34 . 1 . 1 6 6 ILE HG23 H 1 0.735 0.000 . 1 . . . . . 5 ILE QG2 . 50374 2
35 . 1 . 1 7 7 ILE H H 1 7.862 0.000 . 1 . . . . . 6 ILE H . 50374 2
36 . 1 . 1 7 7 ILE HA H 1 4.044 0.000 . 1 . . . . . 6 ILE HA . 50374 2
37 . 1 . 1 7 7 ILE HB H 1 1.813 0.000 . 1 . . . . . 6 ILE HB . 50374 2
38 . 1 . 1 7 7 ILE HG12 H 1 1.357 0.000 . 2 . . . . . 6 ILE HG12 . 50374 2
39 . 1 . 1 7 7 ILE HG13 H 1 1.166 0.000 . 2 . . . . . 6 ILE HG13 . 50374 2
40 . 1 . 1 7 7 ILE HG21 H 1 0.811 0.000 . 1 . . . . . 6 ILE QG2 . 50374 2
41 . 1 . 1 7 7 ILE HG22 H 1 0.811 0.000 . 1 . . . . . 6 ILE QG2 . 50374 2
42 . 1 . 1 7 7 ILE HG23 H 1 0.811 0.000 . 1 . . . . . 6 ILE QG2 . 50374 2
43 . 1 . 1 8 8 TYR H H 1 8.142 0.002 . 1 . . . . . 7 TYR H . 50374 2
44 . 1 . 1 8 8 TYR HA H 1 4.435 0.000 . 1 . . . . . 7 TYR HA . 50374 2
45 . 1 . 1 8 8 TYR HB2 H 1 3.063 0.000 . 2 . . . . . 7 TYR HB2 . 50374 2
46 . 1 . 1 8 8 TYR HB3 H 1 2.915 0.000 . 2 . . . . . 7 TYR HB3 . 50374 2
47 . 1 . 1 8 8 TYR HD1 H 1 7.117 0.000 . 1 . . . . . 7 TYR HD1 . 50374 2
48 . 1 . 1 8 8 TYR HD2 H 1 7.117 0.000 . 1 . . . . . 7 TYR HD2 . 50374 2
49 . 1 . 1 8 8 TYR HE1 H 1 6.808 0.002 . 1 . . . . . 7 TYR HE1 . 50374 2
50 . 1 . 1 8 8 TYR HE2 H 1 6.808 0.002 . 1 . . . . . 7 TYR HE2 . 50374 2
51 . 1 . 1 9 9 ALA H H 1 8.087 0.001 . 1 . . . . . 8 ALA H . 50374 2
52 . 1 . 1 9 9 ALA HA H 1 4.238 0.001 . 1 . . . . . 8 ALA HA . 50374 2
53 . 1 . 1 9 9 ALA HB1 H 1 1.395 0.000 . 1 . . . . . 8 ALA HB . 50374 2
54 . 1 . 1 9 9 ALA HB2 H 1 1.395 0.000 . 1 . . . . . 8 ALA HB . 50374 2
55 . 1 . 1 9 9 ALA HB3 H 1 1.395 0.000 . 1 . . . . . 8 ALA HB . 50374 2
56 . 1 . 1 10 10 LEU H H 1 7.975 0.001 . 1 . . . . . 9 LEU H . 50374 2
57 . 1 . 1 10 10 LEU HA H 1 4.277 0.000 . 1 . . . . . 9 LEU HA . 50374 2
58 . 1 . 1 10 10 LEU HB2 H 1 1.603 0.000 . 2 . . . . . 9 LEU HB2 . 50374 2
59 . 1 . 1 10 10 LEU HB3 H 1 1.679 0.000 . 2 . . . . . 9 LEU HB3 . 50374 2
60 . 1 . 1 11 11 ARG H H 1 8.187 0.003 . 1 . . . . . 10 ARG H . 50374 2
61 . 1 . 1 11 11 ARG HA H 1 4.324 0.003 . 1 . . . . . 10 ARG HA . 50374 2
62 . 1 . 1 11 11 ARG HB2 H 1 1.879 0.002 . 2 . . . . . 10 ARG HB2 . 50374 2
63 . 1 . 1 11 11 ARG HB3 H 1 1.789 0.002 . 2 . . . . . 10 ARG HB3 . 50374 2
64 . 1 . 1 11 11 ARG HG2 H 1 1.655 0.000 . 2 . . . . . 10 ARG HG2 . 50374 2
65 . 1 . 1 11 11 ARG HG3 H 1 1.655 0.000 . 2 . . . . . 10 ARG HG3 . 50374 2
66 . 1 . 1 11 11 ARG HD2 H 1 3.161 0.001 . 2 . . . . . 10 ARG HD2 . 50374 2
67 . 1 . 1 11 11 ARG HD3 H 1 3.161 0.001 . 2 . . . . . 10 ARG HD3 . 50374 2
68 . 1 . 1 11 11 ARG HE H 1 7.203 0.002 . 1 . . . . . 10 ARG HE . 50374 2
69 . 1 . 1 12 12 SER H H 1 8.152 0.000 . 1 . . . . . 11 SER H . 50374 2
70 . 1 . 1 12 12 SER HA H 1 4.357 0.000 . 1 . . . . . 11 SER HA . 50374 2
71 . 1 . 1 12 12 SER HB2 H 1 3.875 0.000 . 2 . . . . . 11 SER HB2 . 50374 2
72 . 1 . 1 12 12 SER HB3 H 1 3.829 0.000 . 2 . . . . . 11 SER HB3 . 50374 2
73 . 1 . 1 13 13 LYS H H 1 8.261 0.002 . 1 . . . . . 12 LYS H . 50374 2
74 . 1 . 1 13 13 LYS HA H 1 4.259 0.000 . 1 . . . . . 12 LYS HA . 50374 2
75 . 1 . 1 13 13 LYS HB2 H 1 1.846 0.000 . 2 . . . . . 12 LYS HB2 . 50374 2
76 . 1 . 1 13 13 LYS HB3 H 1 1.771 0.000 . 2 . . . . . 12 LYS HB3 . 50374 2
77 . 1 . 1 13 13 LYS HD2 H 1 1.674 0.000 . 2 . . . . . 12 LYS HD2 . 50374 2
78 . 1 . 1 13 13 LYS HD3 H 1 1.674 0.000 . 2 . . . . . 12 LYS HD3 . 50374 2
79 . 1 . 1 13 13 LYS HE2 H 1 2.985 0.000 . 2 . . . . . 12 LYS HE2 . 50374 2
80 . 1 . 1 13 13 LYS HE3 H 1 2.985 0.000 . 2 . . . . . 12 LYS HE3 . 50374 2
81 . 1 . 1 13 13 LYS HZ1 H 1 7.545 0.001 . 1 . . . . . 12 LYS HZ1 . 50374 2
82 . 1 . 1 13 13 LYS HZ2 H 1 7.545 0.001 . 1 . . . . . 12 LYS HZ2 . 50374 2
83 . 1 . 1 13 13 LYS HZ3 H 1 7.545 0.001 . 1 . . . . . 12 LYS HZ3 . 50374 2
84 . 1 . 1 14 14 ASP H H 1 8.219 0.001 . 1 . . . . . 13 ASP H . 50374 2
85 . 1 . 1 14 14 ASP HA H 1 4.611 0.000 . 1 . . . . . 13 ASP HA . 50374 2
86 . 1 . 1 14 14 ASP HB2 H 1 2.795 0.000 . 2 . . . . . 13 ASP HB2 . 50374 2
87 . 1 . 1 14 14 ASP HB3 H 1 2.637 0.000 . 2 . . . . . 13 ASP HB3 . 50374 2
88 . 1 . 1 15 15 LEU H H 1 8.203 0.000 . 1 . . . . . 14 LEU H . 50374 2
89 . 1 . 1 15 15 LEU HA H 1 4.276 0.000 . 1 . . . . . 14 LEU HA . 50374 2
90 . 1 . 1 15 15 LEU HB2 H 1 1.591 0.000 . 2 . . . . . 14 LEU HB2 . 50374 2
91 . 1 . 1 15 15 LEU HB3 H 1 1.663 0.000 . 2 . . . . . 14 LEU HB3 . 50374 2
92 . 1 . 1 16 16 ARG H H 1 8.191 0.001 . 1 . . . . . 15 ARG H . 50374 2
93 . 1 . 1 16 16 ARG HA H 1 4.199 0.000 . 1 . . . . . 15 ARG HA . 50374 2
94 . 1 . 1 16 16 ARG HB2 H 1 1.760 0.000 . 2 . . . . . 15 ARG HB2 . 50374 2
95 . 1 . 1 16 16 ARG HB3 H 1 1.760 0.000 . 2 . . . . . 15 ARG HB3 . 50374 2
96 . 1 . 1 16 16 ARG HG2 H 1 1.568 0.000 . 2 . . . . . 15 ARG HG2 . 50374 2
97 . 1 . 1 16 16 ARG HG3 H 1 1.611 0.000 . 2 . . . . . 15 ARG HG3 . 50374 2
98 . 1 . 1 16 16 ARG HD2 H 1 3.171 0.000 . 2 . . . . . 15 ARG HD2 . 50374 2
99 . 1 . 1 16 16 ARG HD3 H 1 3.171 0.000 . 2 . . . . . 15 ARG HD3 . 50374 2
100 . 1 . 1 16 16 ARG HE H 1 7.332 0.001 . 1 . . . . . 15 ARG HE . 50374 2
101 . 1 . 1 17 17 HIS H H 1 8.276 0.001 . 1 . . . . . 16 HIS H . 50374 2
102 . 1 . 1 17 17 HIS HA H 1 4.652 0.000 . 1 . . . . . 16 HIS HA . 50374 2
103 . 1 . 1 17 17 HIS HB2 H 1 3.254 0.000 . 2 . . . . . 16 HIS HB2 . 50374 2
104 . 1 . 1 17 17 HIS HB3 H 1 3.116 0.000 . 2 . . . . . 16 HIS HB3 . 50374 2
105 . 1 . 1 17 17 HIS HD2 H 1 7.267 0.002 . 1 . . . . . 16 HIS HD2 . 50374 2
106 . 1 . 1 17 17 HIS HE1 H 1 8.593 0.002 . 1 . . . . . 16 HIS HE1 . 50374 2
107 . 1 . 1 18 18 ALA H H 1 8.233 0.001 . 1 . . . . . 17 ALA H . 50374 2
108 . 1 . 1 18 18 ALA HA H 1 4.287 0.001 . 1 . . . . . 17 ALA HA . 50374 2
109 . 1 . 1 18 18 ALA HB1 H 1 1.321 0.000 . 1 . . . . . 17 ALA HB . 50374 2
110 . 1 . 1 18 18 ALA HB2 H 1 1.321 0.000 . 1 . . . . . 17 ALA HB . 50374 2
111 . 1 . 1 18 18 ALA HB3 H 1 1.321 0.000 . 1 . . . . . 17 ALA HB . 50374 2
112 . 1 . 1 19 19 PHE H H 1 8.330 0.001 . 1 . . . . . 18 PHE H . 50374 2
113 . 1 . 1 19 19 PHE HA H 1 4.593 0.000 . 1 . . . . . 18 PHE HA . 50374 2
114 . 1 . 1 19 19 PHE HB3 H 1 3.095 0.000 . 2 . . . . . 18 PHE HB3 . 50374 2
115 . 1 . 1 19 19 PHE HD1 H 1 7.284 0.001 . 1 . . . . . 18 PHE HD1 . 50374 2
116 . 1 . 1 19 19 PHE HD2 H 1 7.284 0.001 . 1 . . . . . 18 PHE HD2 . 50374 2
117 . 1 . 1 19 19 PHE HE1 H 1 7.362 0.002 . 1 . . . . . 18 PHE HE1 . 50374 2
118 . 1 . 1 19 19 PHE HE2 H 1 7.362 0.002 . 1 . . . . . 18 PHE HE2 . 50374 2
119 . 1 . 1 20 20 ARG H H 1 8.252 0.002 . 1 . . . . . 19 ARG H . 50374 2
120 . 1 . 1 20 20 ARG HA H 1 4.226 0.000 . 1 . . . . . 19 ARG HA . 50374 2
121 . 1 . 1 20 20 ARG HB2 H 1 1.663 0.000 . 2 . . . . . 19 ARG HB2 . 50374 2
122 . 1 . 1 20 20 ARG HB3 H 1 1.804 0.004 . 2 . . . . . 19 ARG HB3 . 50374 2
123 . 1 . 1 20 20 ARG HG2 H 1 1.552 0.003 . 2 . . . . . 19 ARG HG2 . 50374 2
124 . 1 . 1 20 20 ARG HG3 H 1 1.552 0.003 . 2 . . . . . 19 ARG HG3 . 50374 2
125 . 1 . 1 20 20 ARG HD2 H 1 3.157 0.002 . 2 . . . . . 19 ARG HD2 . 50374 2
126 . 1 . 1 20 20 ARG HD3 H 1 3.157 0.002 . 2 . . . . . 19 ARG HD3 . 50374 2
127 . 1 . 1 20 20 ARG HE H 1 7.165 0.001 . 1 . . . . . 19 ARG HE . 50374 2
128 . 1 . 1 21 21 NH2 HN1 H 1 6.950 0.000 . 2 . . . . . 20 NH2 HN1 . 50374 2
129 . 1 . 1 21 21 NH2 HN2 H 1 7.029 0.000 . 2 . . . . . 20 NH2 HN2 . 50374 2
stop_
save_