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 34091
_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 'NOESY STRUCTURE a DETERMINATION.' . . . 34091 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 TRP HA H 1 4.142 . . 1 . . . A 1 TRP HA . 34091 1
2 . 1 1 1 1 TRP HB2 H 1 3.231 . . 2 . . . A 1 TRP HB2 . 34091 1
3 . 1 1 1 1 TRP HB3 H 1 3.162 . . 2 . . . A 1 TRP HB3 . 34091 1
4 . 1 1 1 1 TRP HD1 H 1 7.109 . . 1 . . . A 1 TRP HD1 . 34091 1
5 . 1 1 1 1 TRP HE3 H 1 7.421 . . 1 . . . A 1 TRP HE3 . 34091 1
6 . 1 1 1 1 TRP HZ2 H 1 7.324 . . 1 . . . A 1 TRP HZ2 . 34091 1
7 . 1 1 1 1 TRP HZ3 H 1 6.942 . . 1 . . . A 1 TRP HZ3 . 34091 1
8 . 1 1 1 1 TRP HH2 H 1 7.054 . . 1 . . . A 1 TRP HH2 . 34091 1
9 . 1 1 1 1 TRP CA C 13 56.100 . . 1 . . . A 1 TRP CA . 34091 1
10 . 1 1 1 1 TRP CB C 13 29.468 . . 1 . . . A 1 TRP CB . 34091 1
11 . 1 1 1 1 TRP CD1 C 13 127.955 . . 1 . . . A 1 TRP CD1 . 34091 1
12 . 1 1 1 1 TRP CE3 C 13 120.687 . . 1 . . . A 1 TRP CE3 . 34091 1
13 . 1 1 1 1 TRP CZ2 C 13 114.612 . . 1 . . . A 1 TRP CZ2 . 34091 1
14 . 1 1 1 1 TRP CZ3 C 13 122.081 . . 1 . . . A 1 TRP CZ3 . 34091 1
15 . 1 1 1 1 TRP CH2 C 13 124.751 . . 1 . . . A 1 TRP CH2 . 34091 1
16 . 1 1 2 2 TYR H H 1 8.204 . . 1 . . . A 2 TYR H . 34091 1
17 . 1 1 2 2 TYR HA H 1 4.353 . . 1 . . . A 2 TYR HA . 34091 1
18 . 1 1 2 2 TYR HB2 H 1 2.772 . . 2 . . . A 2 TYR HB2 . 34091 1
19 . 1 1 2 2 TYR HB3 H 1 2.704 . . 2 . . . A 2 TYR HB3 . 34091 1
20 . 1 1 2 2 TYR HD1 H 1 6.846 . . 1 . . . A 2 TYR HD1 . 34091 1
21 . 1 1 2 2 TYR HD2 H 1 6.846 . . 1 . . . A 2 TYR HD2 . 34091 1
22 . 1 1 2 2 TYR HE1 H 1 6.611 . . 1 . . . A 2 TYR HE1 . 34091 1
23 . 1 1 2 2 TYR HE2 H 1 6.611 . . 1 . . . A 2 TYR HE2 . 34091 1
24 . 1 1 2 2 TYR CA C 13 58.182 . . 1 . . . A 2 TYR CA . 34091 1
25 . 1 1 2 2 TYR CB C 13 38.856 . . 1 . . . A 2 TYR CB . 34091 1
26 . 1 1 2 2 TYR CD1 C 13 132.922 . . 1 . . . A 2 TYR CD1 . 34091 1
27 . 1 1 2 2 TYR CE1 C 13 118.071 . . 1 . . . A 2 TYR CE1 . 34091 1
28 . 1 1 3 3 HIS H H 1 8.188 . . 1 . . . A 3 HIS H . 34091 1
29 . 1 1 3 3 HIS HA H 1 4.407 . . 1 . . . A 3 HIS HA . 34091 1
30 . 1 1 3 3 HIS HB2 H 1 3.011 . . 2 . . . A 3 HIS HB2 . 34091 1
31 . 1 1 3 3 HIS HB3 H 1 2.905 . . 2 . . . A 3 HIS HB3 . 34091 1
32 . 1 1 3 3 HIS HD2 H 1 8.302 . . 1 . . . A 3 HIS HD2 . 34091 1
33 . 1 1 3 3 HIS HE1 H 1 7.023 . . 1 . . . A 3 HIS HE1 . 34091 1
34 . 1 1 3 3 HIS CA C 13 55.071 . . 1 . . . A 3 HIS CA . 34091 1
35 . 1 1 3 3 HIS CB C 13 28.784 . . 1 . . . A 3 HIS CB . 34091 1
36 . 1 1 3 3 HIS CD2 C 13 136.015 . . 1 . . . A 3 HIS CD2 . 34091 1
37 . 1 1 3 3 HIS CE1 C 13 119.851 . . 1 . . . A 3 HIS CE1 . 34091 1
38 . 1 1 4 4 ARG H H 1 8.125 . . 1 . . . A 4 ARG H . 34091 1
39 . 1 1 4 4 ARG HA H 1 4.057 . . 1 . . . A 4 ARG HA . 34091 1
40 . 1 1 4 4 ARG HB2 H 1 1.672 . . 2 . . . A 4 ARG HB2 . 34091 1
41 . 1 1 4 4 ARG HB3 H 1 1.611 . . 2 . . . A 4 ARG HB3 . 34091 1
42 . 1 1 4 4 ARG HG2 H 1 1.476 . . 2 . . . A 4 ARG HG2 . 34091 1
43 . 1 1 4 4 ARG HG3 H 1 1.451 . . 2 . . . A 4 ARG HG3 . 34091 1
44 . 1 1 4 4 ARG HD2 H 1 3.024 . . 2 . . . A 4 ARG HD2 . 34091 1
45 . 1 1 4 4 ARG HD3 H 1 3.024 . . 2 . . . A 4 ARG HD3 . 34091 1
46 . 1 1 4 4 ARG CA C 13 56.837 . . 1 . . . A 4 ARG CA . 34091 1
47 . 1 1 4 4 ARG CB C 13 30.817 . . 1 . . . A 4 ARG CB . 34091 1
48 . 1 1 4 4 ARG CG C 13 27.227 . . 1 . . . A 4 ARG CG . 34091 1
49 . 1 1 4 4 ARG CD C 13 43.277 . . 1 . . . A 4 ARG CD . 34091 1
50 . 1 1 5 5 LEU H H 1 8.113 . . 1 . . . A 5 LEU H . 34091 1
51 . 1 1 5 5 LEU HA H 1 4.213 . . 1 . . . A 5 LEU HA . 34091 1
52 . 1 1 5 5 LEU HB2 H 1 1.511 . . 2 . . . A 5 LEU HB2 . 34091 1
53 . 1 1 5 5 LEU HB3 H 1 1.429 . . 2 . . . A 5 LEU HB3 . 34091 1
54 . 1 1 5 5 LEU HG H 1 1.462 . . 1 . . . A 5 LEU HG . 34091 1
55 . 1 1 5 5 LEU HD11 H 1 0.754 . . 2 . . . A 5 LEU HD11 . 34091 1
56 . 1 1 5 5 LEU HD12 H 1 0.754 . . 2 . . . A 5 LEU HD12 . 34091 1
57 . 1 1 5 5 LEU HD13 H 1 0.754 . . 2 . . . A 5 LEU HD13 . 34091 1
58 . 1 1 5 5 LEU HD21 H 1 0.695 . . 2 . . . A 5 LEU HD21 . 34091 1
59 . 1 1 5 5 LEU HD22 H 1 0.695 . . 2 . . . A 5 LEU HD22 . 34091 1
60 . 1 1 5 5 LEU HD23 H 1 0.695 . . 2 . . . A 5 LEU HD23 . 34091 1
61 . 1 1 5 5 LEU CA C 13 55.454 . . 1 . . . A 5 LEU CA . 34091 1
62 . 1 1 5 5 LEU CB C 13 42.148 . . 1 . . . A 5 LEU CB . 34091 1
63 . 1 1 5 5 LEU CG C 13 26.912 . . 1 . . . A 5 LEU CG . 34091 1
64 . 1 1 5 5 LEU CD1 C 13 24.517 . . 1 . . . A 5 LEU CD1 . 34091 1
65 . 1 1 5 5 LEU CD2 C 13 23.227 . . 1 . . . A 5 LEU CD2 . 34091 1
66 . 1 1 6 6 SER H H 1 7.967 . . 1 . . . A 6 SER H . 34091 1
67 . 1 1 6 6 SER HA H 1 4.211 . . 1 . . . A 6 SER HA . 34091 1
68 . 1 1 6 6 SER HB2 H 1 3.721 . . 2 . . . A 6 SER HB2 . 34091 1
69 . 1 1 6 6 SER HB3 H 1 3.667 . . 2 . . . A 6 SER HB3 . 34091 1
70 . 1 1 6 6 SER CA C 13 58.790 . . 1 . . . A 6 SER CA . 34091 1
71 . 1 1 6 6 SER CB C 13 63.740 . . 1 . . . A 6 SER CB . 34091 1
72 . 1 1 7 7 HIS H H 1 8.294 . . 1 . . . A 7 HIS H . 34091 1
73 . 1 1 7 7 HIS HA H 1 4.521 . . 1 . . . A 7 HIS HA . 34091 1
74 . 1 1 7 7 HIS HB2 H 1 3.184 . . 2 . . . A 7 HIS HB2 . 34091 1
75 . 1 1 7 7 HIS HB3 H 1 3.034 . . 2 . . . A 7 HIS HB3 . 34091 1
76 . 1 1 7 7 HIS HD2 H 1 8.438 . . 1 . . . A 7 HIS HD2 . 34091 1
77 . 1 1 7 7 HIS HE1 H 1 7.144 . . 1 . . . A 7 HIS HE1 . 34091 1
78 . 1 1 7 7 HIS CA C 13 55.868 . . 1 . . . A 7 HIS CA . 34091 1
79 . 1 1 7 7 HIS CB C 13 28.601 . . 1 . . . A 7 HIS CB . 34091 1
80 . 1 1 7 7 HIS CD2 C 13 136.120 . . 1 . . . A 7 HIS CD2 . 34091 1
81 . 1 1 7 7 HIS CE1 C 13 119.916 . . 1 . . . A 7 HIS CE1 . 34091 1
82 . 1 1 8 8 LEU H H 1 7.964 . . 1 . . . A 8 LEU H . 34091 1
83 . 1 1 8 8 LEU HA H 1 4.081 . . 1 . . . A 8 LEU HA . 34091 1
84 . 1 1 8 8 LEU HB2 H 1 1.458 . . 2 . . . A 8 LEU HB2 . 34091 1
85 . 1 1 8 8 LEU HB3 H 1 1.383 . . 2 . . . A 8 LEU HB3 . 34091 1
86 . 1 1 8 8 LEU HG H 1 1.365 . . 1 . . . A 8 LEU HG . 34091 1
87 . 1 1 8 8 LEU HD11 H 1 0.748 . . 2 . . . A 8 LEU HD11 . 34091 1
88 . 1 1 8 8 LEU HD12 H 1 0.748 . . 2 . . . A 8 LEU HD12 . 34091 1
89 . 1 1 8 8 LEU HD13 H 1 0.748 . . 2 . . . A 8 LEU HD13 . 34091 1
90 . 1 1 8 8 LEU HD21 H 1 0.700 . . 2 . . . A 8 LEU HD21 . 34091 1
91 . 1 1 8 8 LEU HD22 H 1 0.700 . . 2 . . . A 8 LEU HD22 . 34091 1
92 . 1 1 8 8 LEU HD23 H 1 0.700 . . 2 . . . A 8 LEU HD23 . 34091 1
93 . 1 1 8 8 LEU CA C 13 56.133 . . 1 . . . A 8 LEU CA . 34091 1
94 . 1 1 8 8 LEU CB C 13 42.209 . . 1 . . . A 8 LEU CB . 34091 1
95 . 1 1 8 8 LEU CG C 13 26.899 . . 1 . . . A 8 LEU CG . 34091 1
96 . 1 1 8 8 LEU CD1 C 13 24.275 . . 1 . . . A 8 LEU CD1 . 34091 1
97 . 1 1 8 8 LEU CD2 C 13 22.912 . . 1 . . . A 8 LEU CD2 . 34091 1
98 . 1 1 9 9 HIS H H 1 8.314 . . 1 . . . A 9 HIS H . 34091 1
99 . 1 1 9 9 HIS HA H 1 4.481 . . 1 . . . A 9 HIS HA . 34091 1
100 . 1 1 9 9 HIS HB2 H 1 3.160 . . 2 . . . A 9 HIS HB2 . 34091 1
101 . 1 1 9 9 HIS HB3 H 1 3.060 . . 2 . . . A 9 HIS HB3 . 34091 1
102 . 1 1 9 9 HIS HD2 H 1 8.432 . . 1 . . . A 9 HIS HD2 . 34091 1
103 . 1 1 9 9 HIS HE1 H 1 7.143 . . 1 . . . A 9 HIS HE1 . 34091 1
104 . 1 1 9 9 HIS CA C 13 55.935 . . 1 . . . A 9 HIS CA . 34091 1
105 . 1 1 9 9 HIS CB C 13 28.649 . . 1 . . . A 9 HIS CB . 34091 1
106 . 1 1 9 9 HIS CD2 C 13 136.129 . . 1 . . . A 9 HIS CD2 . 34091 1
107 . 1 1 9 9 HIS CE1 C 13 119.941 . . 1 . . . A 9 HIS CE1 . 34091 1
108 . 1 1 10 10 SER H H 1 8.025 . . 1 . . . A 10 SER H . 34091 1
109 . 1 1 10 10 SER HA H 1 4.279 . . 1 . . . A 10 SER HA . 34091 1
110 . 1 1 10 10 SER HB2 H 1 3.800 . . 2 . . . A 10 SER HB2 . 34091 1
111 . 1 1 10 10 SER HB3 H 1 3.710 . . 2 . . . A 10 SER HB3 . 34091 1
112 . 1 1 10 10 SER CA C 13 58.846 . . 1 . . . A 10 SER CA . 34091 1
113 . 1 1 10 10 SER CB C 13 63.840 . . 1 . . . A 10 SER CB . 34091 1
114 . 1 1 11 11 ARG H H 1 8.180 . . 1 . . . A 11 ARG H . 34091 1
115 . 1 1 11 11 ARG HA H 1 4.167 . . 1 . . . A 11 ARG HA . 34091 1
116 . 1 1 11 11 ARG HB2 H 1 1.768 . . 2 . . . A 11 ARG HB2 . 34091 1
117 . 1 1 11 11 ARG HB3 H 1 1.677 . . 2 . . . A 11 ARG HB3 . 34091 1
118 . 1 1 11 11 ARG HG2 H 1 1.522 . . 2 . . . A 11 ARG HG2 . 34091 1
119 . 1 1 11 11 ARG HG3 H 1 1.498 . . 2 . . . A 11 ARG HG3 . 34091 1
120 . 1 1 11 11 ARG HD2 H 1 3.050 . . 2 . . . A 11 ARG HD2 . 34091 1
121 . 1 1 11 11 ARG HD3 H 1 3.050 . . 2 . . . A 11 ARG HD3 . 34091 1
122 . 1 1 11 11 ARG CA C 13 56.858 . . 1 . . . A 11 ARG CA . 34091 1
123 . 1 1 11 11 ARG CB C 13 30.372 . . 1 . . . A 11 ARG CB . 34091 1
124 . 1 1 11 11 ARG CG C 13 27.062 . . 1 . . . A 11 ARG CG . 34091 1
125 . 1 1 11 11 ARG CD C 13 43.160 . . 1 . . . A 11 ARG CD . 34091 1
126 . 1 1 12 12 LEU H H 1 8.116 . . 1 . . . A 12 LEU H . 34091 1
127 . 1 1 12 12 LEU HA H 1 4.195 . . 1 . . . A 12 LEU HA . 34091 1
128 . 1 1 12 12 LEU HB2 H 1 1.492 . . 2 . . . A 12 LEU HB2 . 34091 1
129 . 1 1 12 12 LEU HB3 H 1 1.406 . . 2 . . . A 12 LEU HB3 . 34091 1
130 . 1 1 12 12 LEU HG H 1 1.430 . . 1 . . . A 12 LEU HG . 34091 1
131 . 1 1 12 12 LEU HD11 H 1 0.752 . . 2 . . . A 12 LEU HD11 . 34091 1
132 . 1 1 12 12 LEU HD12 H 1 0.752 . . 2 . . . A 12 LEU HD12 . 34091 1
133 . 1 1 12 12 LEU HD13 H 1 0.752 . . 2 . . . A 12 LEU HD13 . 34091 1
134 . 1 1 12 12 LEU HD21 H 1 0.692 . . 2 . . . A 12 LEU HD21 . 34091 1
135 . 1 1 12 12 LEU HD22 H 1 0.692 . . 2 . . . A 12 LEU HD22 . 34091 1
136 . 1 1 12 12 LEU HD23 H 1 0.692 . . 2 . . . A 12 LEU HD23 . 34091 1
137 . 1 1 12 12 LEU CA C 13 55.507 . . 1 . . . A 12 LEU CA . 34091 1
138 . 1 1 12 12 LEU CB C 13 42.158 . . 1 . . . A 12 LEU CB . 34091 1
139 . 1 1 12 12 LEU CG C 13 26.920 . . 1 . . . A 12 LEU CG . 34091 1
140 . 1 1 12 12 LEU CD1 C 13 24.488 . . 1 . . . A 12 LEU CD1 . 34091 1
141 . 1 1 12 12 LEU CD2 C 13 23.220 . . 1 . . . A 12 LEU CD2 . 34091 1
142 . 1 1 13 13 GLN H H 1 7.968 . . 1 . . . A 13 GLN H . 34091 1
143 . 1 1 13 13 GLN HA H 1 4.123 . . 1 . . . A 13 GLN HA . 34091 1
144 . 1 1 13 13 GLN HB2 H 1 1.959 . . 2 . . . A 13 GLN HB2 . 34091 1
145 . 1 1 13 13 GLN HB3 H 1 1.859 . . 2 . . . A 13 GLN HB3 . 34091 1
146 . 1 1 13 13 GLN HG2 H 1 2.192 . . 2 . . . A 13 GLN HG2 . 34091 1
147 . 1 1 13 13 GLN HG3 H 1 2.192 . . 2 . . . A 13 GLN HG3 . 34091 1
148 . 1 1 13 13 GLN CA C 13 56.012 . . 1 . . . A 13 GLN CA . 34091 1
149 . 1 1 13 13 GLN CB C 13 29.242 . . 1 . . . A 13 GLN CB . 34091 1
150 . 1 1 13 13 GLN CG C 13 33.795 . . 1 . . . A 13 GLN CG . 34091 1
151 . 1 1 14 14 ASP H H 1 8.004 . . 1 . . . A 14 ASP H . 34091 1
152 . 1 1 14 14 ASP HA H 1 4.537 . . 1 . . . A 14 ASP HA . 34091 1
153 . 1 1 14 14 ASP HB2 H 1 2.760 . . 2 . . . A 14 ASP HB2 . 34091 1
154 . 1 1 14 14 ASP HB3 H 1 2.714 . . 2 . . . A 14 ASP HB3 . 34091 1
155 . 1 1 14 14 ASP CA C 13 52.785 . . 1 . . . A 14 ASP CA . 34091 1
156 . 1 1 14 14 ASP CB C 13 38.332 . . 1 . . . A 14 ASP CB . 34091 1
157 . 1 1 15 15 NH2 HN1 H 1 7.220 . . 2 . . . A 15 NH2 HN1 . 34091 1
158 . 1 1 15 15 NH2 HN2 H 1 6.928 . . 2 . . . A 15 NH2 HN2 . 34091 1
stop_
save_