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 51619
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name RR14
_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 .
_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
3 '2D 1H-1H TOCSY' . . . 51619 1
4 '2D 1H-1H COSY' . . . 51619 1
5 '2D 1H-1H NOESY' . . . 51619 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
2 $software_2 . . 51619 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 1 1 TRP HA H 1 4.183 0.000 . . . . . . . 1 W HA . 51619 1
2 . 1 . 1 1 1 TRP HB2 H 1 3.379 0.000 . . . . . . . 1 W HB . 51619 1
3 . 1 . 1 1 1 TRP HB3 H 1 3.379 0.000 . . . . . . . 1 W HB . 51619 1
4 . 1 . 1 1 1 TRP HD1 H 1 7.447 0.000 . . . . . . . 1 W HD1 . 51619 1
5 . 1 . 1 1 1 TRP HE3 H 1 7.482 0.000 . . . . . . . 1 W HE3 . 51619 1
6 . 1 . 1 1 1 TRP HZ2 H 1 7.410 0.000 . . . . . . . 1 W HZ2 . 51619 1
7 . 1 . 1 1 1 TRP HZ3 H 1 7.094 0.000 . . . . . . . 1 W HZ3 . 51619 1
8 . 1 . 1 1 1 TRP HH2 H 1 6.957 0.000 . . . . . . . 1 W HH2 . 51619 1
9 . 1 . 1 2 2 LEU CA C 13 57.77 0.000 . . . . . . . 2 L CA . 51619 1
10 . 1 . 1 3 3 ARG HB2 H 1 1.927 0.000 . . . . . . . 3 R HB2 . 51619 1
11 . 1 . 1 3 3 ARG HB3 H 1 1.856 0.000 . . . . . . . 3 R HB3 . 51619 1
12 . 1 . 1 3 3 ARG HG2 H 1 1.724 0.000 . . . . . . . 3 R HG2 . 51619 1
13 . 1 . 1 3 3 ARG HG3 H 1 1.608 0.000 . . . . . . . 3 R HG3 . 51619 1
14 . 1 . 1 3 3 ARG HD2 H 1 3.204 0.000 . . . . . . . 3 R HD . 51619 1
15 . 1 . 1 3 3 ARG HD3 H 1 3.204 0.000 . . . . . . . 3 R HD . 51619 1
16 . 1 . 1 3 3 ARG CA C 13 55.03 0.000 . . . . . . . 3 R CA . 51619 1
17 . 1 . 1 3 3 ARG N N 15 118.653 0.000 . . . . . . . 3 R N . 51619 1
18 . 1 . 1 4 4 ARG H H 1 7.973 0.000 . . . . . . . 4 R H . 51619 1
19 . 1 . 1 4 4 ARG HA H 1 4.076 0.000 . . . . . . . 4 R HA . 51619 1
20 . 1 . 1 4 4 ARG HB2 H 1 1.875 0.000 . . . . . . . 4 R HB2 . 51619 1
21 . 1 . 1 4 4 ARG HB3 H 1 1.768 0.000 . . . . . . . 4 R HB3 . 51619 1
22 . 1 . 1 4 4 ARG HG2 H 1 1.609 0.000 . . . . . . . 4 R HG2 . 51619 1
23 . 1 . 1 4 4 ARG HG3 H 1 1.517 0.000 . . . . . . . 4 R HG3 . 51619 1
24 . 1 . 1 4 4 ARG HD2 H 1 3.149 0.000 . . . . . . . 4 R HD . 51619 1
25 . 1 . 1 4 4 ARG HD3 H 1 3.149 0.000 . . . . . . . 4 R HD . 51619 1
26 . 1 . 1 4 4 ARG HE H 1 7.552 0.000 . . . . . . . 4 R HE . 51619 1
27 . 1 . 1 4 4 ARG CA C 13 56.13 0.000 . . . . . . . 4 R CA . 51619 1
28 . 1 . 1 4 4 ARG N N 15 119.278 0.000 . . . . . . . 4 R N . 51619 1
29 . 1 . 1 5 5 ILE H H 1 7.648 0.000 . . . . . . . 5 I H . 51619 1
30 . 1 . 1 5 5 ILE HA H 1 3.859 0.000 . . . . . . . 5 I HA . 51619 1
31 . 1 . 1 5 5 ILE HB H 1 2.038 0.000 . . . . . . . 5 I HB . 51619 1
32 . 1 . 1 5 5 ILE HG12 H 1 1.551 0.000 . . . . . . . 5 I HG12 . 51619 1
33 . 1 . 1 5 5 ILE HG13 H 1 1.279 0.000 . . . . . . . 5 I HG13 . 51619 1
34 . 1 . 1 5 5 ILE HG21 H 1 1.016 0.000 . . . . . . . 5 I HG21 . 51619 1
35 . 1 . 1 5 5 ILE HG22 H 1 0.921 0.000 . . . . . . . 5 I HG22 . 51619 1
36 . 1 . 1 5 5 ILE HG23 H 1 0.921 0.000 . . . . . . . 5 I HG22 . 51619 1
37 . 1 . 1 5 5 ILE HD11 H 1 1.948 0.000 . . . . . . . 5 I HD11 . 51619 1
38 . 1 . 1 5 5 ILE HD12 H 1 1.745 0.000 . . . . . . . 5 I HD12 . 51619 1
39 . 1 . 1 5 5 ILE HD13 H 1 1.745 0.000 . . . . . . . 5 I HD12 . 51619 1
40 . 1 . 1 5 5 ILE CA C 13 65.81 0.000 . . . . . . . 5 I CA . 51619 1
41 . 1 . 1 5 5 ILE N N 15 118.340 0.000 . . . . . . . 5 I N . 51619 1
42 . 1 . 1 6 6 LYS H H 1 8.262 0.000 . . . . . . . 6 K H . 51619 1
43 . 1 . 1 6 6 LYS HA H 1 3.882 0.000 . . . . . . . 6 K HA . 51619 1
44 . 1 . 1 6 6 LYS HB2 H 1 1.714 0.000 . . . . . . . 6 K HB2 . 51619 1
45 . 1 . 1 6 6 LYS HB3 H 1 1.628 0.000 . . . . . . . 6 K HB3 . 51619 1
46 . 1 . 1 6 6 LYS HG2 H 1 1.365 0.000 . . . . . . . 6 K HG . 51619 1
47 . 1 . 1 6 6 LYS HG3 H 1 1.365 0.000 . . . . . . . 6 K HG . 51619 1
48 . 1 . 1 6 6 LYS HD2 H 1 1.885 0.000 . . . . . . . 6 K HD . 51619 1
49 . 1 . 1 6 6 LYS HD3 H 1 1.885 0.000 . . . . . . . 6 K HD . 51619 1
50 . 1 . 1 6 6 LYS HE2 H 1 2.879 0.000 . . . . . . . 6 K HE . 51619 1
51 . 1 . 1 6 6 LYS HE3 H 1 2.879 0.000 . . . . . . . 6 K HE . 51619 1
52 . 1 . 1 6 6 LYS CA C 13 62.06 0.000 . . . . . . . 6 K CA . 51619 1
53 . 1 . 1 6 6 LYS N N 15 119.434 0.000 . . . . . . . 6 K N . 51619 1
54 . 1 . 1 7 7 ALA H H 1 7.728 0.000 . . . . . . . 7 A H . 51619 1
55 . 1 . 1 7 7 ALA HA H 1 4.088 0.000 . . . . . . . 7 A HA . 51619 1
56 . 1 . 1 7 7 ALA HB1 H 1 1.498 0.000 . . . . . . . 7 A HB . 51619 1
57 . 1 . 1 7 7 ALA HB2 H 1 1.498 0.000 . . . . . . . 7 A HB . 51619 1
58 . 1 . 1 7 7 ALA HB3 H 1 1.498 0.000 . . . . . . . 7 A HB . 51619 1
59 . 1 . 1 7 7 ALA CA C 13 52.53 0.000 . . . . . . . 7 A CA . 51619 1
60 . 1 . 1 7 7 ALA N N 15 119.903 0.000 . . . . . . . 7 A N . 51619 1
61 . 1 . 1 8 8 TRP H H 1 7.906 0.000 . . . . . . . 8 W H . 51619 1
62 . 1 . 1 8 8 TRP HA H 1 4.367 0.000 . . . . . . . 8 W HA . 51619 1
63 . 1 . 1 8 8 TRP HB2 H 1 3.427 0.000 . . . . . . . 8 W HB . 51619 1
64 . 1 . 1 8 8 TRP HB3 H 1 3.427 0.000 . . . . . . . 8 W HB . 51619 1
65 . 1 . 1 8 8 TRP HD1 H 1 7.274 0.000 . . . . . . . 8 W HD1 . 51619 1
66 . 1 . 1 8 8 TRP HE3 H 1 7.385 0.000 . . . . . . . 8 W HE3 . 51619 1
67 . 1 . 1 8 8 TRP HZ2 H 1 7.457 0.000 . . . . . . . 8 W HZ2 . 51619 1
68 . 1 . 1 8 8 TRP HZ3 H 1 7.020 0.000 . . . . . . . 8 W HZ3 . 51619 1
69 . 1 . 1 8 8 TRP HH2 H 1 6.893 0.000 . . . . . . . 8 W HH2 . 51619 1
70 . 1 . 1 8 8 TRP CA C 13 53.39 0.000 . . . . . . . 8 W CA . 51619 1
71 . 1 . 1 8 8 TRP N N 15 120.059 0.000 . . . . . . . 8 W N . 51619 1
72 . 1 . 1 9 9 LEU H H 1 8.289 0.000 . . . . . . . 9 L H . 51619 1
73 . 1 . 1 9 9 LEU HA H 1 3.891 0.000 . . . . . . . 9 L HA . 51619 1
74 . 1 . 1 9 9 LEU HB2 H 1 1.943 0.000 . . . . . . . 9 L HB . 51619 1
75 . 1 . 1 9 9 LEU HB3 H 1 1.943 0.000 . . . . . . . 9 L HB . 51619 1
76 . 1 . 1 9 9 LEU HG H 1 1.555 0.000 . . . . . . . 9 L HG . 51619 1
77 . 1 . 1 9 9 LEU CA C 13 58.24 0.000 . . . . . . . 9 L CA . 51619 1
78 . 1 . 1 9 9 LEU N N 15 117.872 0.000 . . . . . . . 9 L N . 51619 1
79 . 1 . 1 10 10 ARG H H 1 7.727 0.000 . . . . . . . 10 R H . 51619 1
80 . 1 . 1 10 10 ARG HA H 1 4.075 0.000 . . . . . . . 10 R HA . 51619 1
81 . 1 . 1 10 10 ARG HB2 H 1 1.926 0.000 . . . . . . . 10 R HB2 . 51619 1
82 . 1 . 1 10 10 ARG HB3 H 1 1.828 0.000 . . . . . . . 10 R HB3 . 51619 1
83 . 1 . 1 10 10 ARG HG2 H 1 1.709 0.000 . . . . . . . 10 R HG . 51619 1
84 . 1 . 1 10 10 ARG HG3 H 1 1.709 0.000 . . . . . . . 10 R HG . 51619 1
85 . 1 . 1 10 10 ARG HD2 H 1 3.217 0.000 . . . . . . . 10 R HD . 51619 1
86 . 1 . 1 10 10 ARG HD3 H 1 3.217 0.000 . . . . . . . 10 R HD . 51619 1
87 . 1 . 1 10 10 ARG HE H 1 7.373 0.000 . . . . . . . 10 R HE . 51619 1
88 . 1 . 1 10 10 ARG CA C 13 55.81 0.000 . . . . . . . 10 R CA . 51619 1
89 . 1 . 1 10 10 ARG N N 15 115.996 0.000 . . . . . . . 10 R N . 51619 1
90 . 1 . 1 11 11 ARG H H 1 7.591 0.000 . . . . . . . 11 R H . 51619 1
91 . 1 . 1 11 11 ARG HA H 1 4.205 0.000 . . . . . . . 11 R HA . 51619 1
92 . 1 . 1 11 11 ARG HB2 H 1 1.930 0.000 . . . . . . . 11 R HB . 51619 1
93 . 1 . 1 11 11 ARG HB3 H 1 1.930 0.000 . . . . . . . 11 R HB . 51619 1
94 . 1 . 1 11 11 ARG HG2 H 1 1.759 0.000 . . . . . . . 11 R HG2 . 51619 1
95 . 1 . 1 11 11 ARG HG3 H 1 1.660 0.000 . . . . . . . 11 R HG3 . 51619 1
96 . 1 . 1 11 11 ARG HD2 H 1 3.143 0.000 . . . . . . . 11 R HD . 51619 1
97 . 1 . 1 11 11 ARG HD3 H 1 3.143 0.000 . . . . . . . 11 R HD . 51619 1
98 . 1 . 1 11 11 ARG HE H 1 7.349 0.000 . . . . . . . 11 R HE . 51619 1
99 . 1 . 1 11 11 ARG CA C 13 54.88 0.000 . . . . . . . 11 R CA . 51619 1
100 . 1 . 1 11 11 ARG N N 15 117.559 0.000 . . . . . . . 11 R N . 51619 1
101 . 1 . 1 12 12 ILE H H 1 7.515 0.000 . . . . . . . 12 I H . 51619 1
102 . 1 . 1 12 12 ILE HA H 1 3.979 0.000 . . . . . . . 12 I HA . 51619 1
103 . 1 . 1 12 12 ILE HB H 1 1.851 0.000 . . . . . . . 12 I HB . 51619 1
104 . 1 . 1 12 12 ILE HG12 H 1 1.391 0.000 . . . . . . . 12 I HG12 . 51619 1
105 . 1 . 1 12 12 ILE HG13 H 1 1.080 0.000 . . . . . . . 12 I HG13 . 51619 1
106 . 1 . 1 12 12 ILE HG21 H 1 0.794 0.000 . . . . . . . 12 I HG2 . 51619 1
107 . 1 . 1 12 12 ILE HG22 H 1 0.794 0.000 . . . . . . . 12 I HG2 . 51619 1
108 . 1 . 1 12 12 ILE HG23 H 1 0.794 0.000 . . . . . . . 12 I HG2 . 51619 1
109 . 1 . 1 12 12 ILE HD11 H 1 0.673 0.000 . . . . . . . 12 I HD1 . 51619 1
110 . 1 . 1 12 12 ILE HD12 H 1 0.673 0.000 . . . . . . . 12 I HD1 . 51619 1
111 . 1 . 1 12 12 ILE HD13 H 1 0.673 0.000 . . . . . . . 12 I HD1 . 51619 1
112 . 1 . 1 12 12 ILE CA C 13 59.88 0.000 . . . . . . . 12 I CA . 51619 1
113 . 1 . 1 12 12 ILE N N 15 117.090 0.000 . . . . . . . 12 I N . 51619 1
114 . 1 . 1 13 13 LYS H H 1 7.671 0.000 . . . . . . . 13 K H . 51619 1
115 . 1 . 1 13 13 LYS HA H 1 4.301 0.000 . . . . . . . 13 K HA . 51619 1
116 . 1 . 1 13 13 LYS HB2 H 1 1.860 0.000 . . . . . . . 13 K HB2 . 51619 1
117 . 1 . 1 13 13 LYS HB3 H 1 1.725 0.000 . . . . . . . 13 K HB3 . 51619 1
118 . 1 . 1 13 13 LYS HG2 H 1 1.458 0.000 . . . . . . . 13 K HG . 51619 1
119 . 1 . 1 13 13 LYS HG3 H 1 1.458 0.000 . . . . . . . 13 K HG . 51619 1
120 . 1 . 1 13 13 LYS HD2 H 1 1.671 0.000 . . . . . . . 13 K HD . 51619 1
121 . 1 . 1 13 13 LYS HD3 H 1 1.671 0.000 . . . . . . . 13 K HD . 51619 1
122 . 1 . 1 13 13 LYS HE2 H 1 2.966 0.000 . . . . . . . 13 K HE . 51619 1
123 . 1 . 1 13 13 LYS HE3 H 1 2.966 0.000 . . . . . . . 13 K HE . 51619 1
124 . 1 . 1 13 13 LYS CA C 13 59.02 0.000 . . . . . . . 13 K CA . 51619 1
125 . 1 . 1 13 13 LYS N N 15 121.153 0.000 . . . . . . . 13 K N . 51619 1
126 . 1 . 1 14 14 ALA H H 1 7.715 0.000 . . . . . . . 14 A H . 51619 1
127 . 1 . 1 14 14 ALA HA H 1 4.111 0.000 . . . . . . . 14 A HA . 51619 1
128 . 1 . 1 14 14 ALA HB1 H 1 1.343 0.000 . . . . . . . 14 A HB . 51619 1
129 . 1 . 1 14 14 ALA HB2 H 1 1.343 0.000 . . . . . . . 14 A HB . 51619 1
130 . 1 . 1 14 14 ALA HB3 H 1 1.343 0.000 . . . . . . . 14 A HB . 51619 1
131 . 1 . 1 14 14 ALA CA C 13 51.28 0.000 . . . . . . . 14 A CA . 51619 1
132 . 1 . 1 14 14 ALA N N 15 118.340 0.000 . . . . . . . 14 A N . 51619 1
stop_
save_