Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 27712
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $cond1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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-15N HSQC/HMQC' 1 $s1 isotropic 27712 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
1 $CcpNmr_Analysis . . 27712 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 3 3 GLN H H 1 8.316 . . 1 . . 103 . . 3 GLN H . 27712 1
2 . 1 1 3 3 GLN HE21 H 1 6.831 . . 1 . . 173 . . 3 GLN HE21 . 27712 1
3 . 1 1 3 3 GLN HE22 H 1 7.539 . . 1 . . 171 . . 3 GLN HE22 . 27712 1
4 . 1 1 3 3 GLN N N 15 119.602 . . 1 . . 104 . . 3 GLN N . 27712 1
5 . 1 1 3 3 GLN NE2 N 15 112.497 0.001 . 1 . . 172 . . 3 GLN NE2 . 27712 1
6 . 1 1 4 4 LEU H H 1 8.268 . . 1 . . 156 . . 4 LEU H . 27712 1
7 . 1 1 4 4 LEU N N 15 123.075 . . 1 . . 157 . . 4 LEU N . 27712 1
8 . 1 1 5 5 THR H H 1 8.709 . . 1 . . 13 . . 5 THR H . 27712 1
9 . 1 1 5 5 THR N N 15 113.013 . . 1 . . 14 . . 5 THR N . 27712 1
10 . 1 1 6 6 GLU H H 1 9.029 . . 1 . . 27 . . 6 GLU H . 27712 1
11 . 1 1 6 6 GLU N N 15 120.561 . . 1 . . 28 . . 6 GLU N . 27712 1
12 . 1 1 7 7 GLU H H 1 8.736 . . 1 . . 49 . . 7 GLU H . 27712 1
13 . 1 1 7 7 GLU N N 15 119.554 . . 1 . . 50 . . 7 GLU N . 27712 1
14 . 1 1 8 8 GLN H H 1 7.730 . . 1 . . 68 . . 8 GLN H . 27712 1
15 . 1 1 8 8 GLN HE21 H 1 6.749 . . 1 . . 138 . . 8 GLN HE21 . 27712 1
16 . 1 1 8 8 GLN HE22 H 1 7.471 . . 1 . . 43 . . 8 GLN HE22 . 27712 1
17 . 1 1 8 8 GLN N N 15 120.363 . . 1 . . 69 . . 8 GLN N . 27712 1
18 . 1 1 8 8 GLN NE2 N 15 111.309 0.001 . 1 . . 44 . . 8 GLN NE2 . 27712 1
19 . 1 1 9 9 ILE H H 1 8.368 . . 1 . . 136 . . 9 ILE H . 27712 1
20 . 1 1 9 9 ILE N N 15 119.491 . . 1 . . 137 . . 9 ILE N . 27712 1
21 . 1 1 10 10 ALA H H 1 8.003 . . 1 . . 76 . . 10 ALA H . 27712 1
22 . 1 1 10 10 ALA N N 15 121.259 . . 1 . . 77 . . 10 ALA N . 27712 1
23 . 1 1 11 11 GLU H H 1 7.782 . . 1 . . 126 . . 11 GLU H . 27712 1
24 . 1 1 11 11 GLU N N 15 119.792 . . 1 . . 127 . . 11 GLU N . 27712 1
25 . 1 1 12 12 PHE H H 1 8.591 . . 1 . . 132 . . 12 PHE H . 27712 1
26 . 1 1 12 12 PHE N N 15 120.208 . . 1 . . 133 . . 12 PHE N . 27712 1
27 . 1 1 13 13 LYS H H 1 9.207 . . 1 . . 25 . . 13 LYS H . 27712 1
28 . 1 1 13 13 LYS N N 15 123.685 . . 1 . . 26 . . 13 LYS N . 27712 1
29 . 1 1 14 14 GLU H H 1 7.816 . . 1 . . 121 . . 14 GLU H . 27712 1
30 . 1 1 14 14 GLU N N 15 120.447 . . 1 . . 122 . . 14 GLU N . 27712 1
31 . 1 1 15 15 ALA H H 1 7.977 . . 1 . . 45 . . 15 ALA H . 27712 1
32 . 1 1 15 15 ALA N N 15 122.572 . . 1 . . 46 . . 15 ALA N . 27712 1
33 . 1 1 16 16 PHE H H 1 8.775 . . 1 . . 35 . . 16 PHE H . 27712 1
34 . 1 1 16 16 PHE N N 15 119.237 . . 1 . . 36 . . 16 PHE N . 27712 1
35 . 1 1 17 17 SER H H 1 7.974 . . 1 . . 84 . . 17 SER H . 27712 1
36 . 1 1 17 17 SER N N 15 112.792 . . 1 . . 85 . . 17 SER N . 27712 1
37 . 1 1 18 18 LEU H H 1 7.405 . . 1 . . 113 . . 18 LEU H . 27712 1
38 . 1 1 18 18 LEU N N 15 121.061 . . 1 . . 114 . . 18 LEU N . 27712 1
39 . 1 1 19 19 PHE H H 1 7.193 . . 1 . . 130 . . 19 PHE H . 27712 1
40 . 1 1 19 19 PHE N N 15 114.635 . . 1 . . 131 . . 19 PHE N . 27712 1
41 . 1 1 20 20 ASP H H 1 7.801 . . 1 . . 7 . . 20 ASP H . 27712 1
42 . 1 1 20 20 ASP N N 15 117.278 . . 1 . . 8 . . 20 ASP N . 27712 1
43 . 1 1 21 21 LYS H H 1 7.712 . . 1 . . 17 . . 21 LYS H . 27712 1
44 . 1 1 21 21 LYS N N 15 124.734 . . 1 . . 18 . . 21 LYS N . 27712 1
45 . 1 1 22 22 ASP H H 1 8.079 . . 1 . . 66 . . 22 ASP H . 27712 1
46 . 1 1 22 22 ASP N N 15 114.024 . . 1 . . 67 . . 22 ASP N . 27712 1
47 . 1 1 23 23 GLY H H 1 7.688 . . 1 . . 57 . . 23 GLY H . 27712 1
48 . 1 1 23 23 GLY N N 15 109.313 . . 1 . . 58 . . 23 GLY N . 27712 1
49 . 1 1 24 24 ASP H H 1 8.413 . . 1 . . 148 . . 24 ASP H . 27712 1
50 . 1 1 24 24 ASP N N 15 120.802 . . 1 . . 149 . . 24 ASP N . 27712 1
51 . 1 1 25 25 GLY H H 1 10.636 . . 1 . . 124 . . 25 GLY H . 27712 1
52 . 1 1 25 25 GLY N N 15 113.239 . . 1 . . 125 . . 25 GLY N . 27712 1
53 . 1 1 26 26 THR H H 1 8.171 . . 1 . . 101 . . 26 THR H . 27712 1
54 . 1 1 26 26 THR N N 15 112.832 . . 1 . . 102 . . 26 THR N . 27712 1
55 . 1 1 27 27 ILE H H 1 9.860 . . 1 . . 64 . . 27 ILE H . 27712 1
56 . 1 1 27 27 ILE N N 15 127.283 . . 1 . . 65 . . 27 ILE N . 27712 1
57 . 1 1 28 28 THR H H 1 8.406 . . 1 . . 152 . . 28 THR H . 27712 1
58 . 1 1 28 28 THR N N 15 116.482 . . 1 . . 153 . . 28 THR N . 27712 1
59 . 1 1 29 29 THR H H 1 9.094 . . 1 . . 74 . . 29 THR H . 27712 1
60 . 1 1 29 29 THR N N 15 113.034 . . 1 . . 75 . . 29 THR N . 27712 1
61 . 1 1 30 30 LYS H H 1 7.669 . . 1 . . 98 . . 30 LYS H . 27712 1
62 . 1 1 30 30 LYS N N 15 120.804 . . 1 . . 99 . . 30 LYS N . 27712 1
63 . 1 1 31 31 GLU H H 1 7.675 . . 1 . . 5 . . 31 GLU H . 27712 1
64 . 1 1 31 31 GLU N N 15 121.694 . . 1 . . 6 . . 31 GLU N . 27712 1
65 . 1 1 32 32 LEU H H 1 8.683 . . 1 . . 37 . . 32 LEU H . 27712 1
66 . 1 1 32 32 LEU N N 15 120.656 . . 1 . . 38 . . 32 LEU N . 27712 1
67 . 1 1 33 33 GLY H H 1 8.672 . . 1 . . 154 . . 33 GLY H . 27712 1
68 . 1 1 33 33 GLY N N 15 105.773 . . 1 . . 155 . . 33 GLY N . 27712 1
69 . 1 1 34 34 THR H H 1 7.933 . . 1 . . 70 . . 34 THR H . 27712 1
70 . 1 1 34 34 THR N N 15 118.142 . . 1 . . 71 . . 34 THR N . 27712 1
71 . 1 1 35 35 VAL H H 1 7.670 . . 1 . . 164 . . 35 VAL H . 27712 1
72 . 1 1 35 35 VAL N N 15 122.175 . . 1 . . 165 . . 35 VAL N . 27712 1
73 . 1 1 36 36 MET H H 1 8.551 . . 1 . . 19 . . 36 MET H . 27712 1
74 . 1 1 36 36 MET N N 15 118.487 . . 1 . . 20 . . 36 MET N . 27712 1
75 . 1 1 37 37 ARG H H 1 8.485 . . 1 . . 128 . . 37 ARG H . 27712 1
76 . 1 1 37 37 ARG N N 15 119.029 . . 1 . . 129 . . 37 ARG N . 27712 1
77 . 1 1 38 38 SER H H 1 7.929 . . 1 . . 55 . . 38 SER H . 27712 1
78 . 1 1 38 38 SER N N 15 118.970 . . 1 . . 56 . . 38 SER N . 27712 1
79 . 1 1 39 39 LEU H H 1 7.397 . . 1 . . 11 . . 39 LEU H . 27712 1
80 . 1 1 39 39 LEU N N 15 120.415 . . 1 . . 12 . . 39 LEU N . 27712 1
81 . 1 1 40 40 GLY H H 1 7.891 . . 1 . . 47 . . 40 GLY H . 27712 1
82 . 1 1 40 40 GLY N N 15 106.915 . . 1 . . 48 . . 40 GLY N . 27712 1
83 . 1 1 41 41 GLN H H 1 7.809 . . 1 . . 86 . . 41 GLN H . 27712 1
84 . 1 1 41 41 GLN HE21 H 1 7.338 . . 1 . . 59 . . 41 GLN HE21 . 27712 1
85 . 1 1 41 41 GLN HE22 H 1 6.708 . . 1 . . 39 . . 41 GLN HE22 . 27712 1
86 . 1 1 41 41 GLN N N 15 118.372 . . 1 . . 87 . . 41 GLN N . 27712 1
87 . 1 1 41 41 GLN NE2 N 15 111.319 0.0 . 1 . . 40 . . 41 GLN NE2 . 27712 1
88 . 1 1 42 42 ASN H H 1 8.706 . . 1 . . 21 . . 42 ASN H . 27712 1
89 . 1 1 42 42 ASN HD21 H 1 6.724 . . 1 . . 100 . . 42 ASN HD21 . 27712 1
90 . 1 1 42 42 ASN HD22 H 1 7.524 . . 1 . . 96 . . 42 ASN HD22 . 27712 1
91 . 1 1 42 42 ASN N N 15 116.477 . . 1 . . 22 . . 42 ASN N . 27712 1
92 . 1 1 42 42 ASN ND2 N 15 112.125 0.001 . 1 . . 97 . . 42 ASN ND2 . 27712 1
93 . 1 1 44 44 THR H H 1 8.752 . . 1 . . 117 . . 44 THR H . 27712 1
94 . 1 1 44 44 THR N N 15 112.930 . . 1 . . 118 . . 44 THR N . 27712 1
95 . 1 1 45 45 GLU H H 1 8.813 . . 1 . . 160 . . 45 GLU H . 27712 1
96 . 1 1 45 45 GLU N N 15 120.779 . . 1 . . 161 . . 45 GLU N . 27712 1
97 . 1 1 46 46 ALA H H 1 8.258 . . 1 . . 115 . . 46 ALA H . 27712 1
98 . 1 1 46 46 ALA N N 15 120.818 . . 1 . . 116 . . 46 ALA N . 27712 1
99 . 1 1 47 47 GLU H H 1 7.688 . . 1 . . 139 . . 47 GLU H . 27712 1
100 . 1 1 47 47 GLU N N 15 118.800 . . 1 . . 140 . . 47 GLU N . 27712 1
101 . 1 1 48 48 LEU H H 1 8.192 . . 1 . . 53 . . 48 LEU H . 27712 1
102 . 1 1 48 48 LEU N N 15 120.371 . . 1 . . 54 . . 48 LEU N . 27712 1
103 . 1 1 49 49 GLN H H 1 8.189 . . 1 . . 119 . . 49 GLN H . 27712 1
104 . 1 1 49 49 GLN HE21 H 1 7.496 . . 1 . . 145 . . 49 GLN HE21 . 27712 1
105 . 1 1 49 49 GLN HE22 H 1 6.911 . . 1 . . 143 . . 49 GLN HE22 . 27712 1
106 . 1 1 49 49 GLN N N 15 118.261 . . 1 . . 120 . . 49 GLN N . 27712 1
107 . 1 1 49 49 GLN NE2 N 15 113.054 0.0 . 1 . . 144 . . 49 GLN NE2 . 27712 1
108 . 1 1 50 50 ASP H H 1 8.086 . . 1 . . 146 . . 50 ASP H . 27712 1
109 . 1 1 50 50 ASP N N 15 120.067 . . 1 . . 147 . . 50 ASP N . 27712 1
110 . 1 1 51 51 MET H H 1 7.901 . . 1 . . 72 . . 51 MET H . 27712 1
111 . 1 1 51 51 MET N N 15 119.405 . . 1 . . 73 . . 51 MET N . 27712 1
112 . 1 1 52 52 ILE H H 1 7.718 . . 1 . . 90 . . 52 ILE H . 27712 1
113 . 1 1 52 52 ILE N N 15 118.193 . . 1 . . 91 . . 52 ILE N . 27712 1
114 . 1 1 53 53 ASN H H 1 8.658 . . 1 . . 51 . . 53 ASN H . 27712 1
115 . 1 1 53 53 ASN HD21 H 1 7.848 . . 1 . . 33 . . 53 ASN HD21 . 27712 1
116 . 1 1 53 53 ASN HD22 H 1 6.939 . . 1 . . 123 . . 53 ASN HD22 . 27712 1
117 . 1 1 53 53 ASN N N 15 118.026 . . 1 . . 52 . . 53 ASN N . 27712 1
118 . 1 1 53 53 ASN ND2 N 15 111.682 0.0 . 1 . . 34 . . 53 ASN ND2 . 27712 1
119 . 1 1 54 54 GLU H H 1 7.590 . . 1 . . 29 . . 54 GLU H . 27712 1
120 . 1 1 54 54 GLU N N 15 116.482 . . 1 . . 30 . . 54 GLU N . 27712 1
121 . 1 1 55 55 VAL H H 1 7.196 . . 1 . . 107 . . 55 VAL H . 27712 1
122 . 1 1 55 55 VAL N N 15 109.832 . . 1 . . 108 . . 55 VAL N . 27712 1
123 . 1 1 56 56 ASP H H 1 7.648 . . 1 . . 3 . . 56 ASP H . 27712 1
124 . 1 1 56 56 ASP N N 15 121.746 . . 1 . . 4 . . 56 ASP N . 27712 1
125 . 1 1 57 57 ALA H H 1 8.301 . . 1 . . 15 . . 57 ALA H . 27712 1
126 . 1 1 57 57 ALA N N 15 131.618 . . 1 . . 16 . . 57 ALA N . 27712 1
127 . 1 1 58 58 ASP H H 1 8.192 . . 1 . . 162 . . 58 ASP H . 27712 1
128 . 1 1 58 58 ASP N N 15 113.781 . . 1 . . 163 . . 58 ASP N . 27712 1
129 . 1 1 59 59 GLY H H 1 7.566 . . 1 . . 141 . . 59 GLY H . 27712 1
130 . 1 1 59 59 GLY N N 15 108.361 . . 1 . . 142 . . 59 GLY N . 27712 1
131 . 1 1 60 60 ASN H H 1 8.105 . . 1 . . 166 . . 60 ASN H . 27712 1
132 . 1 1 60 60 ASN HD21 H 1 7.753 . . 1 . . 168 . . 60 ASN HD21 . 27712 1
133 . 1 1 60 60 ASN HD22 H 1 6.966 . . 1 . . 9 . . 60 ASN HD22 . 27712 1
134 . 1 1 60 60 ASN N N 15 118.637 . . 1 . . 167 . . 60 ASN N . 27712 1
135 . 1 1 60 60 ASN ND2 N 15 115.181 0.001 . 1 . . 10 . . 60 ASN ND2 . 27712 1
136 . 1 1 61 61 GLY H H 1 10.620 . . 1 . . 31 . . 61 GLY H . 27712 1
137 . 1 1 61 61 GLY N N 15 113.618 . . 1 . . 32 . . 61 GLY N . 27712 1
138 . 1 1 62 62 THR H H 1 7.671 . . 1 . . 1 . . 62 THR H . 27712 1
139 . 1 1 62 62 THR N N 15 108.774 . . 1 . . 2 . . 62 THR N . 27712 1
140 . 1 1 63 63 ILE H H 1 8.899 . . 1 . . 94 . . 63 ILE H . 27712 1
141 . 1 1 63 63 ILE N N 15 124.367 . . 1 . . 95 . . 63 ILE N . 27712 1
142 . 1 1 64 64 ASP H H 1 8.801 . . 1 . . 150 . . 64 ASP H . 27712 1
143 . 1 1 64 64 ASP N N 15 128.220 . . 1 . . 151 . . 64 ASP N . 27712 1
144 . 1 1 65 65 PHE H H 1 8.960 . . 1 . . 80 . . 65 PHE H . 27712 1
145 . 1 1 65 65 PHE N N 15 118.711 . . 1 . . 81 . . 65 PHE N . 27712 1
146 . 1 1 67 67 GLU H H 1 8.084 . . 1 . . 105 . . 67 GLU H . 27712 1
147 . 1 1 67 67 GLU N N 15 117.797 . . 1 . . 106 . . 67 GLU N . 27712 1
148 . 1 1 68 68 PHE H H 1 8.797 . . 1 . . 23 . . 68 PHE H . 27712 1
149 . 1 1 68 68 PHE N N 15 123.864 . . 1 . . 24 . . 68 PHE N . 27712 1
150 . 1 1 69 69 LEU H H 1 8.486 . . 1 . . 41 . . 69 LEU H . 27712 1
151 . 1 1 69 69 LEU N N 15 119.150 . . 1 . . 42 . . 69 LEU N . 27712 1
152 . 1 1 70 70 THR H H 1 7.629 . . 1 . . 62 . . 70 THR H . 27712 1
153 . 1 1 70 70 THR N N 15 115.489 . . 1 . . 63 . . 70 THR N . 27712 1
154 . 1 1 71 71 MET H H 1 7.587 . . 1 . . 158 . . 71 MET H . 27712 1
155 . 1 1 71 71 MET N N 15 121.356 . . 1 . . 159 . . 71 MET N . 27712 1
156 . 1 1 72 72 MET H H 1 8.000 . . 1 . . 60 . . 72 MET H . 27712 1
157 . 1 1 72 72 MET N N 15 117.174 . . 1 . . 61 . . 72 MET N . 27712 1
158 . 1 1 73 73 ALA H H 1 8.215 . . 1 . . 92 . . 73 ALA H . 27712 1
159 . 1 1 73 73 ALA N N 15 121.745 . . 1 . . 93 . . 73 ALA N . 27712 1
160 . 1 1 74 74 ARG H H 1 7.519 . . 1 . . 88 . . 74 ARG H . 27712 1
161 . 1 1 74 74 ARG N N 15 116.687 . . 1 . . 89 . . 74 ARG N . 27712 1
162 . 1 1 75 75 LYS H H 1 7.705 . . 1 . . 111 . . 75 LYS H . 27712 1
163 . 1 1 75 75 LYS N N 15 118.554 . . 1 . . 112 . . 75 LYS N . 27712 1
164 . 1 1 76 76 MET H H 1 7.790 . . 1 . . 82 . . 76 MET H . 27712 1
165 . 1 1 76 76 MET N N 15 118.568 . . 1 . . 83 . . 76 MET N . 27712 1
166 . 1 1 77 77 LYS H H 1 7.801 . . 1 . . 109 . . 77 LYS H . 27712 1
167 . 1 1 77 77 LYS N N 15 120.300 . . 1 . . 110 . . 77 LYS N . 27712 1
168 . 1 1 78 78 ASP H H 1 8.225 . . 1 . . 78 . . 78 ASP H . 27712 1
169 . 1 1 78 78 ASP N N 15 121.534 . . 1 . . 79 . . 78 ASP N . 27712 1
170 . 1 1 79 79 THR H H 1 7.942 . . 1 . . 134 . . 79 THR H . 27712 1
171 . 1 1 79 79 THR N N 15 112.993 . . 1 . . 135 . . 79 THR N . 27712 1
172 . 1 1 80 80 ASP H H 1 7.983 . . 1 . . 169 . . 80 ASP H . 27712 1
173 . 1 1 80 80 ASP N N 15 128.004 . . 1 . . 170 . . 80 ASP N . 27712 1
stop_
save_