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 30429
_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 $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
1 '2D 1H-1H COSY' . . . 30429 1
2 '2D 1H-1H TOCSY' . . . 30429 1
3 '2D 1H-1H NOESY' . . . 30429 1
4 '2D 1H-15N HSQC' . . . 30429 1
5 '2D 1H-13C HSQC' . . . 30429 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.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 MET H H 1 8.833 0.00 . 0 . . . . A 2 MET H . 30429 1
2 . 1 1 2 2 MET HA H 1 4.500 0.00 . 0 . . . . A 2 MET HA . 30429 1
3 . 1 1 2 2 MET HB2 H 1 2.073 0.00 . 0 . . . . A 2 MET HB2 . 30429 1
4 . 1 1 2 2 MET HB3 H 1 2.031 0.00 . 0 . . . . A 2 MET HB3 . 30429 1
5 . 1 1 2 2 MET HG2 H 1 2.600 0.00 . 0 . . . . A 2 MET HG2 . 30429 1
6 . 1 1 2 2 MET HG3 H 1 2.564 0.01 . 0 . . . . A 2 MET HG3 . 30429 1
7 . 1 1 3 3 ARG H H 1 8.795 0.00 . 0 . . . . A 3 ARG H . 30429 1
8 . 1 1 3 3 ARG HA H 1 4.406 0.00 . 0 . . . . A 3 ARG HA . 30429 1
9 . 1 1 3 3 ARG HB2 H 1 1.921 0.00 . 0 . . . . A 3 ARG HB2 . 30429 1
10 . 1 1 3 3 ARG HB3 H 1 1.846 0.00 . 0 . . . . A 3 ARG HB3 . 30429 1
11 . 1 1 3 3 ARG HG2 H 1 1.690 0.00 . 0 . . . . A 3 ARG HG2 . 30429 1
12 . 1 1 3 3 ARG HG3 H 1 1.625 0.00 . 0 . . . . A 3 ARG HG3 . 30429 1
13 . 1 1 3 3 ARG HD2 H 1 3.212 0.00 . 0 . . . . A 3 ARG HD2 . 30429 1
14 . 1 1 3 3 ARG HE H 1 7.454 0.01 . 0 . . . . A 3 ARG HE . 30429 1
15 . 1 1 3 3 ARG CA C 13 56.798 0.00 . 0 . . . . A 3 ARG CA . 30429 1
16 . 1 1 3 3 ARG CB C 13 30.453 0.00 . 0 . . . . A 3 ARG CB . 30429 1
17 . 1 1 3 3 ARG N N 15 124.240 0.00 . 0 . . . . A 3 ARG N . 30429 1
18 . 1 1 3 3 ARG NE N 15 90.205 0.00 . 0 . . . . A 3 ARG NE . 30429 1
19 . 1 1 4 4 LEU H H 1 8.837 0.00 . 0 . . . . A 4 LEU H . 30429 1
20 . 1 1 4 4 LEU HA H 1 4.148 0.00 . 0 . . . . A 4 LEU HA . 30429 1
21 . 1 1 4 4 LEU HB2 H 1 1.798 0.00 . 0 . . . . A 4 LEU HB2 . 30429 1
22 . 1 1 4 4 LEU HB3 H 1 1.729 0.00 . 0 . . . . A 4 LEU HB3 . 30429 1
23 . 1 1 4 4 LEU HG H 1 1.620 0.00 . 0 . . . . A 4 LEU HG . 30429 1
24 . 1 1 4 4 LEU HD11 H 1 0.944 0.00 . 0 . . . . A 4 LEU HD11 . 30429 1
25 . 1 1 4 4 LEU HD12 H 1 0.944 0.00 . 0 . . . . A 4 LEU HD12 . 30429 1
26 . 1 1 4 4 LEU HD13 H 1 0.944 0.00 . 0 . . . . A 4 LEU HD13 . 30429 1
27 . 1 1 4 4 LEU HD21 H 1 0.855 0.00 . 0 . . . . A 4 LEU HD21 . 30429 1
28 . 1 1 4 4 LEU HD22 H 1 0.855 0.00 . 0 . . . . A 4 LEU HD22 . 30429 1
29 . 1 1 4 4 LEU HD23 H 1 0.855 0.00 . 0 . . . . A 4 LEU HD23 . 30429 1
30 . 1 1 4 4 LEU CA C 13 57.920 0.00 . 0 . . . . A 4 LEU CA . 30429 1
31 . 1 1 4 4 LEU CB C 13 41.844 0.00 . 0 . . . . A 4 LEU CB . 30429 1
32 . 1 1 4 4 LEU N N 15 122.128 0.00 . 0 . . . . A 4 LEU N . 30429 1
33 . 1 1 5 5 SER H H 1 8.542 0.00 . 0 . . . . A 5 SER H . 30429 1
34 . 1 1 5 5 SER HA H 1 4.085 0.00 . 0 . . . . A 5 SER HA . 30429 1
35 . 1 1 5 5 SER HB2 H 1 3.956 0.00 . 0 . . . . A 5 SER HB2 . 30429 1
36 . 1 1 5 5 SER HB3 H 1 3.935 0.00 . 0 . . . . A 5 SER HB3 . 30429 1
37 . 1 1 5 5 SER CA C 13 62.023 0.00 . 0 . . . . A 5 SER CA . 30429 1
38 . 1 1 5 5 SER CB C 13 62.473 0.01 . 0 . . . . A 5 SER CB . 30429 1
39 . 1 1 5 5 SER N N 15 114.150 0.00 . 0 . . . . A 5 SER N . 30429 1
40 . 1 1 6 6 ALA H H 1 7.653 0.00 . 0 . . . . A 6 ALA H . 30429 1
41 . 1 1 6 6 ALA HA H 1 4.070 0.01 . 0 . . . . A 6 ALA HA . 30429 1
42 . 1 1 6 6 ALA HB1 H 1 1.455 0.00 . 0 . . . . A 6 ALA HB1 . 30429 1
43 . 1 1 6 6 ALA HB2 H 1 1.455 0.00 . 0 . . . . A 6 ALA HB2 . 30429 1
44 . 1 1 6 6 ALA HB3 H 1 1.455 0.00 . 0 . . . . A 6 ALA HB3 . 30429 1
45 . 1 1 6 6 ALA CA C 13 55.497 0.00 . 0 . . . . A 6 ALA CA . 30429 1
46 . 1 1 6 6 ALA CB C 13 18.523 0.00 . 0 . . . . A 6 ALA CB . 30429 1
47 . 1 1 6 6 ALA N N 15 124.149 0.00 . 0 . . . . A 6 ALA N . 30429 1
48 . 1 1 7 7 PHE H H 1 8.251 0.00 . 0 . . . . A 7 PHE H . 30429 1
49 . 1 1 7 7 PHE HA H 1 4.147 0.00 . 0 . . . . A 7 PHE HA . 30429 1
50 . 1 1 7 7 PHE HB2 H 1 3.148 0.00 . 0 . . . . A 7 PHE HB2 . 30429 1
51 . 1 1 7 7 PHE HD2 H 1 7.115 0.00 . 0 . . . . A 7 PHE HD2 . 30429 1
52 . 1 1 7 7 PHE HE2 H 1 7.227 0.00 . 0 . . . . A 7 PHE HE2 . 30429 1
53 . 1 1 7 7 PHE HZ H 1 7.187 0.00 . 0 . . . . A 7 PHE HZ . 30429 1
54 . 1 1 7 7 PHE CA C 13 61.355 0.00 . 0 . . . . A 7 PHE CA . 30429 1
55 . 1 1 7 7 PHE CB C 13 39.555 0.00 . 0 . . . . A 7 PHE CB . 30429 1
56 . 1 1 7 7 PHE N N 15 117.607 0.00 . 0 . . . . A 7 PHE N . 30429 1
57 . 1 1 8 8 PHE H H 1 7.968 0.00 . 0 . . . . A 8 PHE H . 30429 1
58 . 1 1 8 8 PHE HA H 1 4.322 0.00 . 0 . . . . A 8 PHE HA . 30429 1
59 . 1 1 8 8 PHE HB2 H 1 3.217 0.00 . 0 . . . . A 8 PHE HB2 . 30429 1
60 . 1 1 8 8 PHE HB3 H 1 3.053 0.00 . 0 . . . . A 8 PHE HB3 . 30429 1
61 . 1 1 8 8 PHE HD2 H 1 6.947 0.03 . 0 . . . . A 8 PHE HD2 . 30429 1
62 . 1 1 8 8 PHE HE2 H 1 7.014 0.00 . 0 . . . . A 8 PHE HE2 . 30429 1
63 . 1 1 8 8 PHE HZ H 1 7.011 0.00 . 0 . . . . A 8 PHE HZ . 30429 1
64 . 1 1 8 8 PHE CA C 13 61.060 0.00 . 0 . . . . A 8 PHE CA . 30429 1
65 . 1 1 8 8 PHE CB C 13 39.181 0.02 . 0 . . . . A 8 PHE CB . 30429 1
66 . 1 1 8 8 PHE N N 15 117.985 0.00 . 0 . . . . A 8 PHE N . 30429 1
67 . 1 1 9 9 ARG H H 1 8.257 0.02 . 0 . . . . A 9 ARG H . 30429 1
68 . 1 1 9 9 ARG HA H 1 3.825 0.00 . 0 . . . . A 9 ARG HA . 30429 1
69 . 1 1 9 9 ARG HB2 H 1 1.942 0.01 . 0 . . . . A 9 ARG HB2 . 30429 1
70 . 1 1 9 9 ARG HB3 H 1 1.748 0.00 . 0 . . . . A 9 ARG HB3 . 30429 1
71 . 1 1 9 9 ARG HG2 H 1 1.525 0.00 . 0 . . . . A 9 ARG HG2 . 30429 1
72 . 1 1 9 9 ARG HD2 H 1 3.208 0.00 . 0 . . . . A 9 ARG HD2 . 30429 1
73 . 1 1 9 9 ARG HE H 1 7.429 0.00 . 0 . . . . A 9 ARG HE . 30429 1
74 . 1 1 9 9 ARG CA C 13 60.099 0.00 . 0 . . . . A 9 ARG CA . 30429 1
75 . 1 1 9 9 ARG CB C 13 30.496 0.00 . 0 . . . . A 9 ARG CB . 30429 1
76 . 1 1 9 9 ARG N N 15 119.099 0.00 . 0 . . . . A 9 ARG N . 30429 1
77 . 1 1 9 9 ARG NE N 15 90.708 0.00 . 0 . . . . A 9 ARG NE . 30429 1
78 . 1 1 10 10 ASP H H 1 8.178 0.00 . 0 . . . . A 10 ASP H . 30429 1
79 . 1 1 10 10 ASP HA H 1 4.349 0.00 . 0 . . . . A 10 ASP HA . 30429 1
80 . 1 1 10 10 ASP HB2 H 1 2.597 0.00 . 0 . . . . A 10 ASP HB2 . 30429 1
81 . 1 1 10 10 ASP HB3 H 1 2.391 0.00 . 0 . . . . A 10 ASP HB3 . 30429 1
82 . 1 1 10 10 ASP CA C 13 56.995 0.00 . 0 . . . . A 10 ASP CA . 30429 1
83 . 1 1 10 10 ASP CB C 13 40.567 0.00 . 0 . . . . A 10 ASP CB . 30429 1
84 . 1 1 10 10 ASP N N 15 117.203 0.00 . 0 . . . . A 10 ASP N . 30429 1
85 . 1 1 11 11 PHE H H 1 7.977 0.00 . 0 . . . . A 11 PHE H . 30429 1
86 . 1 1 11 11 PHE HA H 1 4.203 0.00 . 0 . . . . A 11 PHE HA . 30429 1
87 . 1 1 11 11 PHE HB2 H 1 2.889 0.00 . 0 . . . . A 11 PHE HB2 . 30429 1
88 . 1 1 11 11 PHE HB3 H 1 2.725 0.00 . 0 . . . . A 11 PHE HB3 . 30429 1
89 . 1 1 11 11 PHE HE2 H 1 7.081 0.00 . 0 . . . . A 11 PHE HE2 . 30429 1
90 . 1 1 11 11 PHE CA C 13 60.411 0.00 . 0 . . . . A 11 PHE CA . 30429 1
91 . 1 1 11 11 PHE CB C 13 39.779 0.00 . 0 . . . . A 11 PHE CB . 30429 1
92 . 1 1 11 11 PHE N N 15 118.360 0.00 . 0 . . . . A 11 PHE N . 30429 1
93 . 1 1 12 12 ILE H H 1 7.664 0.00 . 0 . . . . A 12 ILE H . 30429 1
94 . 1 1 12 12 ILE HA H 1 3.758 0.00 . 0 . . . . A 12 ILE HA . 30429 1
95 . 1 1 12 12 ILE HB H 1 1.935 0.00 . 0 . . . . A 12 ILE HB . 30429 1
96 . 1 1 12 12 ILE HG12 H 1 1.183 0.00 . 0 . . . . A 12 ILE HG12 . 30429 1
97 . 1 1 12 12 ILE HG21 H 1 0.800 0.00 . 0 . . . . A 12 ILE HG21 . 30429 1
98 . 1 1 12 12 ILE HG22 H 1 0.800 0.00 . 0 . . . . A 12 ILE HG22 . 30429 1
99 . 1 1 12 12 ILE HG23 H 1 0.800 0.00 . 0 . . . . A 12 ILE HG23 . 30429 1
100 . 1 1 12 12 ILE HD11 H 1 0.763 0.00 . 0 . . . . A 12 ILE HD11 . 30429 1
101 . 1 1 12 12 ILE HD12 H 1 0.763 0.00 . 0 . . . . A 12 ILE HD12 . 30429 1
102 . 1 1 12 12 ILE HD13 H 1 0.763 0.00 . 0 . . . . A 12 ILE HD13 . 30429 1
103 . 1 1 12 12 ILE CA C 13 62.926 0.00 . 0 . . . . A 12 ILE CA . 30429 1
104 . 1 1 12 12 ILE CB C 13 37.595 0.00 . 0 . . . . A 12 ILE CB . 30429 1
105 . 1 1 12 12 ILE N N 15 116.666 0.00 . 0 . . . . A 12 ILE N . 30429 1
106 . 1 1 13 13 LEU H H 1 7.956 0.00 . 0 . . . . A 13 LEU H . 30429 1
107 . 1 1 13 13 LEU HA H 1 4.074 0.00 . 0 . . . . A 13 LEU HA . 30429 1
108 . 1 1 13 13 LEU HB2 H 1 1.805 0.00 . 0 . . . . A 13 LEU HB2 . 30429 1
109 . 1 1 13 13 LEU HB3 H 1 1.626 0.00 . 0 . . . . A 13 LEU HB3 . 30429 1
110 . 1 1 13 13 LEU HG H 1 1.535 0.00 . 0 . . . . A 13 LEU HG . 30429 1
111 . 1 1 13 13 LEU HD11 H 1 0.889 0.00 . 0 . . . . A 13 LEU HD11 . 30429 1
112 . 1 1 13 13 LEU HD12 H 1 0.889 0.00 . 0 . . . . A 13 LEU HD12 . 30429 1
113 . 1 1 13 13 LEU HD13 H 1 0.889 0.00 . 0 . . . . A 13 LEU HD13 . 30429 1
114 . 1 1 13 13 LEU HD21 H 1 0.836 0.00 . 0 . . . . A 13 LEU HD21 . 30429 1
115 . 1 1 13 13 LEU HD22 H 1 0.836 0.00 . 0 . . . . A 13 LEU HD22 . 30429 1
116 . 1 1 13 13 LEU HD23 H 1 0.836 0.00 . 0 . . . . A 13 LEU HD23 . 30429 1
117 . 1 1 13 13 LEU CA C 13 57.868 0.00 . 0 . . . . A 13 LEU CA . 30429 1
118 . 1 1 13 13 LEU CB C 13 42.133 0.00 . 0 . . . . A 13 LEU CB . 30429 1
119 . 1 1 13 13 LEU N N 15 118.372 0.00 . 0 . . . . A 13 LEU N . 30429 1
120 . 1 1 14 14 GLN H H 1 7.701 0.00 . 0 . . . . A 14 GLN H . 30429 1
121 . 1 1 14 14 GLN HA H 1 4.119 0.00 . 0 . . . . A 14 GLN HA . 30429 1
122 . 1 1 14 14 GLN HB2 H 1 2.041 0.00 . 0 . . . . A 14 GLN HB2 . 30429 1
123 . 1 1 14 14 GLN HB3 H 1 1.946 0.00 . 0 . . . . A 14 GLN HB3 . 30429 1
124 . 1 1 14 14 GLN HG2 H 1 2.280 0.00 . 0 . . . . A 14 GLN HG2 . 30429 1
125 . 1 1 14 14 GLN HG3 H 1 2.273 0.00 . 0 . . . . A 14 GLN HG3 . 30429 1
126 . 1 1 14 14 GLN HE22 H 1 7.458 0.00 . 0 . . . . A 14 GLN HE22 . 30429 1
127 . 1 1 14 14 GLN CA C 13 56.357 0.00 . 0 . . . . A 14 GLN CA . 30429 1
128 . 1 1 14 14 GLN CB C 13 28.498 0.00 . 0 . . . . A 14 GLN CB . 30429 1
129 . 1 1 14 14 GLN N N 15 116.507 0.00 . 0 . . . . A 14 GLN N . 30429 1
130 . 1 1 14 14 GLN NE2 N 15 112.749 0.00 . 0 . . . . A 14 GLN NE2 . 30429 1
131 . 1 1 15 15 ARG H H 1 7.692 0.00 . 0 . . . . A 15 ARG H . 30429 1
132 . 1 1 15 15 ARG HA H 1 4.164 0.00 . 0 . . . . A 15 ARG HA . 30429 1
133 . 1 1 15 15 ARG HB2 H 1 1.778 0.00 . 0 . . . . A 15 ARG HB2 . 30429 1
134 . 1 1 15 15 ARG HB3 H 1 1.632 0.00 . 0 . . . . A 15 ARG HB3 . 30429 1
135 . 1 1 15 15 ARG HG2 H 1 1.513 0.00 . 0 . . . . A 15 ARG HG2 . 30429 1
136 . 1 1 15 15 ARG HG3 H 1 1.480 0.00 . 0 . . . . A 15 ARG HG3 . 30429 1
137 . 1 1 15 15 ARG HD2 H 1 3.012 0.00 . 0 . . . . A 15 ARG HD2 . 30429 1
138 . 1 1 15 15 ARG HD3 H 1 2.987 0.00 . 0 . . . . A 15 ARG HD3 . 30429 1
139 . 1 1 15 15 ARG HE H 1 7.421 0.00 . 0 . . . . A 15 ARG HE . 30429 1
140 . 1 1 15 15 ARG CA C 13 56.277 0.00 . 0 . . . . A 15 ARG CA . 30429 1
141 . 1 1 15 15 ARG CB C 13 30.596 0.00 . 0 . . . . A 15 ARG CB . 30429 1
142 . 1 1 15 15 ARG N N 15 119.542 0.00 . 0 . . . . A 15 ARG N . 30429 1
143 . 1 1 15 15 ARG NE N 15 90.591 0.00 . 0 . . . . A 15 ARG NE . 30429 1
144 . 1 1 16 16 LYS H H 1 8.068 0.00 . 0 . . . . A 16 LYS H . 30429 1
145 . 1 1 16 16 LYS HA H 1 4.241 0.01 . 0 . . . . A 16 LYS HA . 30429 1
146 . 1 1 16 16 LYS HB2 H 1 1.821 0.00 . 0 . . . . A 16 LYS HB2 . 30429 1
147 . 1 1 16 16 LYS HB3 H 1 1.691 0.00 . 0 . . . . A 16 LYS HB3 . 30429 1
148 . 1 1 16 16 LYS HG2 H 1 1.408 0.00 . 0 . . . . A 16 LYS HG2 . 30429 1
149 . 1 1 16 16 LYS HD2 H 1 1.628 0.00 . 0 . . . . A 16 LYS HD2 . 30429 1
150 . 1 1 16 16 LYS HE2 H 1 2.928 0.00 . 0 . . . . A 16 LYS HE2 . 30429 1
151 . 1 1 16 16 LYS CA C 13 56.373 0.00 . 0 . . . . A 16 LYS CA . 30429 1
152 . 1 1 16 16 LYS CB C 13 33.037 0.00 . 0 . . . . A 16 LYS CB . 30429 1
153 . 1 1 16 16 LYS N N 15 122.156 0.00 . 0 . . . . A 16 LYS N . 30429 1
154 . 1 1 17 17 LYS H H 1 7.819 0.00 . 0 . . . . A 17 LYS H . 30429 1
155 . 1 1 17 17 LYS HA H 1 4.068 0.00 . 0 . . . . A 17 LYS HA . 30429 1
156 . 1 1 17 17 LYS HB2 H 1 1.759 0.00 . 0 . . . . A 17 LYS HB2 . 30429 1
157 . 1 1 17 17 LYS HB3 H 1 1.665 0.00 . 0 . . . . A 17 LYS HB3 . 30429 1
158 . 1 1 17 17 LYS HG2 H 1 1.350 0.00 . 0 . . . . A 17 LYS HG2 . 30429 1
159 . 1 1 17 17 LYS HD2 H 1 1.620 0.00 . 0 . . . . A 17 LYS HD2 . 30429 1
160 . 1 1 17 17 LYS CA C 13 56.652 0.00 . 0 . . . . A 17 LYS CA . 30429 1
161 . 1 1 17 17 LYS CB C 13 33.691 0.00 . 0 . . . . A 17 LYS CB . 30429 1
162 . 1 1 17 17 LYS N N 15 127.920 0.00 . 0 . . . . A 17 LYS N . 30429 1
stop_
save_