Content for NMR-STAR saveframe, "chem_shift_list_1"
save_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 7001
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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 $sample_1 isotropic 7001 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 ACE H1 H 1 2.035 0.01 1 . . . . . 19 LYS HA# . 7001 1
2 . 1 1 1 1 ACE H2 H 1 2.035 0.01 1 . . . . . 19 LYS HA# . 7001 1
3 . 1 1 1 1 ACE H3 H 1 2.035 0.01 1 . . . . . 19 LYS HA# . 7001 1
4 . 1 1 2 2 LYS H H 1 8.416 0.01 1 . . . . . 19 LYS H . 7001 1
5 . 1 1 2 2 LYS HA H 1 4.249 0.01 1 . . . . . 19 LYS HA . 7001 1
6 . 1 1 2 2 LYS HB2 H 1 1.808 0.01 2 . . . . . 19 LYS QB . 7001 1
7 . 1 1 2 2 LYS HB3 H 1 1.808 0.01 2 . . . . . 19 LYS QB . 7001 1
8 . 1 1 2 2 LYS HG2 H 1 1.458 0.01 2 . . . . . 19 LYS QG . 7001 1
9 . 1 1 2 2 LYS HG3 H 1 1.458 0.01 2 . . . . . 19 LYS QG . 7001 1
10 . 1 1 2 2 LYS HD2 H 1 1.707 0.01 2 . . . . . 19 LYS QD . 7001 1
11 . 1 1 2 2 LYS HD3 H 1 1.707 0.01 2 . . . . . 19 LYS QD . 7001 1
12 . 1 1 2 2 LYS HE2 H 1 3.000 0.01 2 . . . . . 19 LYS HE# . 7001 1
13 . 1 1 2 2 LYS HE3 H 1 3.000 0.01 2 . . . . . 19 LYS HE# . 7001 1
14 . 1 1 3 3 ALA H H 1 8.522 0.01 1 . . . . . 20 ALA H . 7001 1
15 . 1 1 3 3 ALA HA H 1 4.287 0.01 1 . . . . . 20 ALA HA . 7001 1
16 . 1 1 3 3 ALA HB1 H 1 1.390 0.01 2 . . . . . 20 ALA QB . 7001 1
17 . 1 1 3 3 ALA HB2 H 1 1.390 0.01 2 . . . . . 20 ALA QB . 7001 1
18 . 1 1 3 3 ALA HB3 H 1 1.390 0.01 2 . . . . . 20 ALA QB . 7001 1
19 . 1 1 4 4 ALA H H 1 8.459 0.01 1 . . . . . 21 ALA H . 7001 1
20 . 1 1 4 4 ALA HA H 1 4.315 0.01 1 . . . . . 21 ALA HA . 7001 1
21 . 1 1 4 4 ALA HB1 H 1 1.386 0.01 2 . . . . . 21 ALA HB# . 7001 1
22 . 1 1 4 4 ALA HB2 H 1 1.386 0.01 2 . . . . . 21 ALA HB# . 7001 1
23 . 1 1 4 4 ALA HB3 H 1 1.386 0.01 2 . . . . . 21 ALA HB# . 7001 1
24 . 1 1 5 5 VAL H H 1 8.268 0.01 1 . . . . . 22 VAL H . 7001 1
25 . 1 1 5 5 VAL HA H 1 4.122 0.01 1 . . . . . 22 VAL HA . 7001 1
26 . 1 1 5 5 VAL HB H 1 2.049 0.01 1 . . . . . 22 VAL HB . 7001 1
27 . 1 1 5 5 VAL HG11 H 1 0.931 0.01 2 . . . . . 22 VAL HG1# . 7001 1
28 . 1 1 5 5 VAL HG12 H 1 0.931 0.01 2 . . . . . 22 VAL HG1# . 7001 1
29 . 1 1 5 5 VAL HG13 H 1 0.931 0.01 2 . . . . . 22 VAL HG1# . 7001 1
30 . 1 1 5 5 VAL HG21 H 1 0.892 0.01 2 . . . . . 22 VAL HG2# . 7001 1
31 . 1 1 5 5 VAL HG22 H 1 0.892 0.01 2 . . . . . 22 VAL HG2# . 7001 1
32 . 1 1 5 5 VAL HG23 H 1 0.892 0.01 2 . . . . . 22 VAL HG2# . 7001 1
33 . 1 1 6 6 SER H H 1 8.521 0.01 1 . . . . . 23 SER H . 7001 1
34 . 1 1 6 6 SER HA H 1 4.422 0.01 1 . . . . . 23 SER HA . 7001 1
35 . 1 1 6 6 SER HB2 H 1 3.795 0.01 2 . . . . . 23 SER HB1 . 7001 1
36 . 1 1 6 6 SER HB3 H 1 3.737 0.01 2 . . . . . 23 SER HB2 . 7001 1
37 . 1 1 7 7 HIS H H 1 8.582 0.01 1 . . . . . 24 HIS H . 7001 1
38 . 1 1 7 7 HIS HA H 1 4.626 0.01 1 . . . . . 24 HIS HA . 7001 1
39 . 1 1 7 7 HIS HB2 H 1 3.088 0.01 2 . . . . . 24 HIS HB# . 7001 1
40 . 1 1 7 7 HIS HB3 H 1 3.088 0.01 2 . . . . . 24 HIS HB# . 7001 1
41 . 1 1 7 7 HIS HD2 H 1 7.096 0.01 1 . . . . . 24 HIS HD2 . 7001 1
42 . 1 1 7 7 HIS HE1 H 1 8.155 0.01 1 . . . . . 24 HIS HE1 . 7001 1
43 . 1 1 8 8 TRP H H 1 8.151 0.01 1 . . . . . 25 TRP H . 7001 1
44 . 1 1 8 8 TRP HA H 1 4.567 0.01 1 . . . . . 25 TRP HA . 7001 1
45 . 1 1 8 8 TRP HB2 H 1 3.254 0.01 2 . . . . . 25 TRP HB# . 7001 1
46 . 1 1 8 8 TRP HB3 H 1 3.254 0.01 2 . . . . . 25 TRP HB# . 7001 1
47 . 1 1 8 8 TRP HD1 H 1 7.242 0.01 1 . . . . . 25 TRP HD1 . 7001 1
48 . 1 1 8 8 TRP HE1 H 1 10.243 0.01 1 . . . . . 25 TRP HE1 . 7001 1
49 . 1 1 8 8 TRP HE3 H 1 7.543 0.01 1 . . . . . 25 TRP HE3 . 7001 1
50 . 1 1 8 8 TRP HZ2 H 1 7.488 0.01 1 . . . . . 25 TRP HZ2 . 7001 1
51 . 1 1 8 8 TRP HZ3 H 1 7.151 0.01 1 . . . . . 25 TRP HZ3 . 7001 1
52 . 1 1 8 8 TRP HH2 H 1 7.251 0.01 1 . . . . . 25 TRP HH2 . 7001 1
53 . 1 1 9 9 GLN H H 1 8.141 0.01 1 . . . . . 26 GLN H . 7001 1
54 . 1 1 9 9 GLN HA H 1 4.111 0.01 1 . . . . . 26 GLN HA . 7001 1
55 . 1 1 9 9 GLN HB2 H 1 1.956 0.01 2 . . . . . 26 GLN HB1 . 7001 1
56 . 1 1 9 9 GLN HB3 H 1 1.787 0.01 2 . . . . . 26 GLN HB2 . 7001 1
57 . 1 1 9 9 GLN HG2 H 1 2.106 0.01 2 . . . . . 26 GLN HG# . 7001 1
58 . 1 1 9 9 GLN HG3 H 1 2.106 0.01 2 . . . . . 26 GLN HG# . 7001 1
59 . 1 1 9 9 GLN HE21 H 1 7.512 0.01 1 . . . . . 26 GLN HE21 . 7001 1
60 . 1 1 9 9 GLN HE22 H 1 6.933 0.01 1 . . . . . 26 GLN HE22 . 7001 1
61 . 1 1 10 10 GLN H H 1 8.259 0.01 1 . . . . . 27 GLN H . 7001 1
62 . 1 1 10 10 GLN HA H 1 4.123 0.01 1 . . . . . 27 GLN HA . 7001 1
63 . 1 1 10 10 GLN HB2 H 1 2.048 0.01 2 . . . . . 27 GLN HB1 . 7001 1
64 . 1 1 10 10 GLN HB3 H 1 1.986 0.01 2 . . . . . 27 GLN HB2 . 7001 1
65 . 1 1 10 10 GLN HG2 H 1 2.346 0.01 2 . . . . . 27 GLN HG# . 7001 1
66 . 1 1 10 10 GLN HG3 H 1 2.346 0.01 2 . . . . . 27 GLN HG# . 7001 1
67 . 1 1 10 10 GLN HE21 H 1 7.659 0.01 2 . . . . . 27 GLN HE21 . 7001 1
68 . 1 1 10 10 GLN HE22 H 1 7.012 0.01 2 . . . . . 27 GLN HE22 . 7001 1
69 . 1 1 11 11 GLN H H 1 8.526 0.01 1 . . . . . 28 GLN H . 7001 1
70 . 1 1 11 11 GLN HA H 1 4.286 0.01 1 . . . . . 28 GLN HA . 7001 1
71 . 1 1 11 11 GLN HB2 H 1 2.013 0.01 2 . . . . . 28 GLN HB1 . 7001 1
72 . 1 1 11 11 GLN HB3 H 1 1.963 0.01 2 . . . . . 28 GLN HB2 . 7001 1
73 . 1 1 11 11 GLN HG2 H 1 2.310 0.01 2 . . . . . 28 GLN HG# . 7001 1
74 . 1 1 11 11 GLN HG3 H 1 2.310 0.01 2 . . . . . 28 GLN HG# . 7001 1
75 . 1 1 11 11 GLN HE21 H 1 7.603 0.01 2 . . . . . 28 GLN HE21 . 7001 1
76 . 1 1 11 11 GLN HE22 H 1 6.960 0.01 2 . . . . . 28 GLN HE22 . 7001 1
77 . 1 1 12 12 SER H H 1 8.435 0.01 1 . . . . . 29 SER H . 7001 1
78 . 1 1 12 12 SER HA H 1 4.418 0.01 1 . . . . . 29 SER HA . 7001 1
79 . 1 1 12 12 SER HB2 H 1 3.803 0.01 2 . . . . . 29 SER HB# . 7001 1
80 . 1 1 12 12 SER HB3 H 1 3.803 0.01 2 . . . . . 29 SER HB# . 7001 1
81 . 1 1 13 13 TYR H H 1 8.300 0.01 1 . . . . . 30 TYR H . 7001 1
82 . 1 1 13 13 TYR HA H 1 4.566 0.01 1 . . . . . 30 TYR HA . 7001 1
83 . 1 1 13 13 TYR HB2 H 1 2.959 0.01 2 . . . . . 30 TYR HB1 . 7001 1
84 . 1 1 13 13 TYR HB3 H 1 3.042 0.01 2 . . . . . 30 TYR HB2 . 7001 1
85 . 1 1 13 13 TYR HD1 H 1 7.085 0.01 3 . . . . . 30 TYR HD# . 7001 1
86 . 1 1 13 13 TYR HD2 H 1 7.085 0.01 3 . . . . . 30 TYR HD# . 7001 1
87 . 1 1 13 13 TYR HE1 H 1 6.805 0.01 3 . . . . . 30 TYR HE# . 7001 1
88 . 1 1 13 13 TYR HE2 H 1 6.805 0.01 3 . . . . . 30 TYR HE# . 7001 1
89 . 1 1 14 14 LEU H H 1 8.207 0.01 1 . . . . . 31 LEU H . 7001 1
90 . 1 1 14 14 LEU HA H 1 4.324 0.01 1 . . . . . 31 LEU HA . 7001 1
91 . 1 1 14 14 LEU HB2 H 1 1.547 0.01 2 . . . . . 31 LEU HB# . 7001 1
92 . 1 1 14 14 LEU HB3 H 1 1.547 0.01 2 . . . . . 31 LEU HB# . 7001 1
93 . 1 1 14 14 LEU HG H 1 1.454 0.01 1 . . . . . 31 LEU HG . 7001 1
94 . 1 1 14 14 LEU HD11 H 1 0.891 0.01 2 . . . . . 31 LEU HD1# . 7001 1
95 . 1 1 14 14 LEU HD12 H 1 0.891 0.01 2 . . . . . 31 LEU HD1# . 7001 1
96 . 1 1 14 14 LEU HD13 H 1 0.891 0.01 2 . . . . . 31 LEU HD1# . 7001 1
97 . 1 1 14 14 LEU HD21 H 1 0.833 0.01 2 . . . . . 31 LEU HD2# . 7001 1
98 . 1 1 14 14 LEU HD22 H 1 0.833 0.01 2 . . . . . 31 LEU HD2# . 7001 1
99 . 1 1 14 14 LEU HD23 H 1 0.833 0.01 2 . . . . . 31 LEU HD2# . 7001 1
100 . 1 1 15 15 ASP H H 1 8.219 0.01 1 . . . . . 32 ASP H . 7001 1
101 . 1 1 15 15 ASP HA H 1 4.613 0.01 1 . . . . . 32 ASP HA . 7001 1
102 . 1 1 15 15 ASP HB2 H 1 2.749 0.01 2 . . . . . 32 ASP HB . 7001 1
103 . 1 1 15 15 ASP HB3 H 1 2.749 0.01 2 . . . . . 32 ASP HB . 7001 1
104 . 1 1 16 16 SEP H H 1 9.260 0.01 1 . . . . . 33 SEP H . 7001 1
105 . 1 1 16 16 SEP HA H 1 4.450 0.01 1 . . . . . 33 SEP HA . 7001 1
106 . 1 1 16 16 SEP HB2 H 1 4.181 0.01 2 . . . . . 33 SEP HB1 . 7001 1
107 . 1 1 16 16 SEP HB3 H 1 4.119 0.01 2 . . . . . 33 SEP HB2 . 7001 1
108 . 1 1 17 17 GLY H H 1 8.633 0.01 1 . . . . . 34 GLY H . 7001 1
109 . 1 1 17 17 GLY HA2 H 1 3.930 0.01 2 . . . . . 34 GLY HA# . 7001 1
110 . 1 1 17 17 GLY HA3 H 1 3.930 0.01 2 . . . . . 34 GLY HA# . 7001 1
111 . 1 1 18 18 ILE H H 1 8.068 0.01 1 . . . . . 35 ILE H . 7001 1
112 . 1 1 18 18 ILE HA H 1 4.044 0.01 1 . . . . . 35 ILE HA . 7001 1
113 . 1 1 18 18 ILE HB H 1 1.800 0.01 1 . . . . . 35 ILE HB . 7001 1
114 . 1 1 18 18 ILE HG12 H 1 1.438 0.01 2 . . . . . 35 ILE HG11 . 7001 1
115 . 1 1 18 18 ILE HG13 H 1 1.188 0.01 2 . . . . . 35 ILE HG12 . 7001 1
116 . 1 1 18 18 ILE HG21 H 1 0.824 0.01 2 . . . . . 35 ILE HG2# . 7001 1
117 . 1 1 18 18 ILE HG22 H 1 0.824 0.01 2 . . . . . 35 ILE HG2# . 7001 1
118 . 1 1 18 18 ILE HG23 H 1 0.824 0.01 2 . . . . . 35 ILE HG2# . 7001 1
119 . 1 1 18 18 ILE HD11 H 1 0.824 0.01 2 . . . . . 35 ILE HD1# . 7001 1
120 . 1 1 18 18 ILE HD12 H 1 0.824 0.01 2 . . . . . 35 ILE HD1# . 7001 1
121 . 1 1 18 18 ILE HD13 H 1 0.824 0.01 2 . . . . . 35 ILE HD1# . 7001 1
122 . 1 1 19 19 HIS H H 1 8.794 0.01 1 . . . . . 36 HIS H . 7001 1
123 . 1 1 19 19 HIS HA H 1 4.813 0.01 1 . . . . . 36 HIS HA . 7001 1
124 . 1 1 19 19 HIS HB2 H 1 3.160 0.01 2 . . . . . 36 HIS HB1 . 7001 1
125 . 1 1 19 19 HIS HB3 H 1 3.316 0.01 2 . . . . . 36 HIS HB2 . 7001 1
126 . 1 1 19 19 HIS HD2 H 1 7.228 0.01 1 . . . . . 36 HIS HD2 . 7001 1
127 . 1 1 19 19 HIS HE1 H 1 8.800 0.01 1 . . . . . 36 HIS HE1 . 7001 1
128 . 1 1 20 20 SEP H H 1 9.397 0.01 1 . . . . . 37 SEP H . 7001 1
129 . 1 1 20 20 SEP HA H 1 4.464 0.01 1 . . . . . 37 SEP HA . 7001 1
130 . 1 1 20 20 SEP HB2 H 1 4.103 0.01 2 . . . . . 37 SEP HB# . 7001 1
131 . 1 1 20 20 SEP HB3 H 1 4.103 0.01 2 . . . . . 37 SEP HB# . 7001 1
132 . 1 1 21 21 GLY H H 1 8.772 0.01 1 . . . . . 38 GLY H . 7001 1
133 . 1 1 21 21 GLY HA2 H 1 4.018 0.01 2 . . . . . 38 GLY HA# . 7001 1
134 . 1 1 21 21 GLY HA3 H 1 4.018 0.01 2 . . . . . 38 GLY HA# . 7001 1
135 . 1 1 22 22 ALA H H 1 8.289 0.01 1 . . . . . 39 ALA H . 7001 1
136 . 1 1 22 22 ALA HA H 1 4.417 0.01 1 . . . . . 39 ALA HA . 7001 1
137 . 1 1 22 22 ALA HB1 H 1 1.446 0.01 2 . . . . . 39 ALA HB# . 7001 1
138 . 1 1 22 22 ALA HB2 H 1 1.446 0.01 2 . . . . . 39 ALA HB# . 7001 1
139 . 1 1 22 22 ALA HB3 H 1 1.446 0.01 2 . . . . . 39 ALA HB# . 7001 1
140 . 1 1 23 23 THR H H 1 8.454 0.01 1 . . . . . 40 THR H . 7001 1
141 . 1 1 23 23 THR HA H 1 4.451 0.01 1 . . . . . 40 THR HA . 7001 1
142 . 1 1 23 23 THR HB H 1 4.269 0.01 1 . . . . . 40 THR HB . 7001 1
143 . 1 1 23 23 THR HG21 H 1 1.240 0.01 2 . . . . . 40 THR HG2# . 7001 1
144 . 1 1 23 23 THR HG22 H 1 1.240 0.01 2 . . . . . 40 THR HG2# . 7001 1
145 . 1 1 23 23 THR HG23 H 1 1.240 0.01 2 . . . . . 40 THR HG2# . 7001 1
146 . 1 1 24 24 THR H H 1 8.389 0.01 1 . . . . . 41 THR H . 7001 1
147 . 1 1 24 24 THR HA H 1 4.462 0.01 1 . . . . . 41 THR HA . 7001 1
148 . 1 1 24 24 THR HB H 1 4.262 0.01 1 . . . . . 41 THR HB . 7001 1
149 . 1 1 24 24 THR HG21 H 1 1.221 0.01 2 . . . . . 41 THR HG2# . 7001 1
150 . 1 1 24 24 THR HG22 H 1 1.221 0.01 2 . . . . . 41 THR HG2# . 7001 1
151 . 1 1 24 24 THR HG23 H 1 1.221 0.01 2 . . . . . 41 THR HG2# . 7001 1
152 . 1 1 25 25 THR H H 1 8.357 0.01 1 . . . . . 42 THR H . 7001 1
153 . 1 1 25 25 THR HA H 1 4.329 0.01 1 . . . . . 42 THR HA . 7001 1
154 . 1 1 25 25 THR HB H 1 4.174 0.01 1 . . . . . 42 THR HB . 7001 1
155 . 1 1 25 25 THR HG21 H 1 1.225 0.01 2 . . . . . 42 THR HG2# . 7001 1
156 . 1 1 25 25 THR HG22 H 1 1.225 0.01 2 . . . . . 42 THR HG2# . 7001 1
157 . 1 1 25 25 THR HG23 H 1 1.225 0.01 2 . . . . . 42 THR HG2# . 7001 1
158 . 1 1 26 26 ALA H H 1 8.568 0.01 1 . . . . . 43 ALA H . 7001 1
159 . 1 1 26 26 ALA HA H 1 4.608 0.01 1 . . . . . 43 ALA HA . 7001 1
160 . 1 1 26 26 ALA HB1 H 1 1.382 0.01 2 . . . . . 43 ALA HB# . 7001 1
161 . 1 1 26 26 ALA HB2 H 1 1.382 0.01 2 . . . . . 43 ALA HB# . 7001 1
162 . 1 1 26 26 ALA HB3 H 1 1.382 0.01 2 . . . . . 43 ALA HB# . 7001 1
163 . 1 1 27 27 PRO HA H 1 4.385 0.01 1 . . . . . 44 PRO HA . 7001 1
164 . 1 1 27 27 PRO HB2 H 1 2.324 0.01 2 . . . . . 44 PRO HB1 . 7001 1
165 . 1 1 27 27 PRO HB3 H 1 1.960 0.01 2 . . . . . 44 PRO HB2 . 7001 1
166 . 1 1 27 27 PRO HG2 H 1 2.065 0.01 2 . . . . . 44 PRO HG1 . 7001 1
167 . 1 1 27 27 PRO HG3 H 1 2.031 0.01 2 . . . . . 44 PRO HG2 . 7001 1
168 . 1 1 27 27 PRO HD2 H 1 3.821 0.01 2 . . . . . 44 PRO HD1 . 7001 1
169 . 1 1 27 27 PRO HD3 H 1 3.680 0.01 2 . . . . . 44 PRO HD2 . 7001 1
170 . 1 1 28 28 NH2 HN1 H 1 7.791 0.01 2 . . . . . 44 PRO H1 . 7001 1
171 . 1 1 28 28 NH2 HN2 H 1 7.147 0.01 2 . . . . . 44 PRO H2 . 7001 1
stop_
save_