Content for NMR-STAR saveframe, "assigned_chem_shift_list_3"
save_assigned_chem_shift_list_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3
_Assigned_chem_shift_list.Entry_ID 27861
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Name .
_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 $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 'Peak splitting'
_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 (H)NH' . . . 27861 3
2 '3D (H)CANH' . . . 27861 3
3 '3D (H)CONH' . . . 27861 3
4 '3D (H)COCA(N)H' . . . 27861 3
5 '3D (H)CA(CO)NH' . . . 27861 3
6 '3D (H)CO(CA)NH' . . . 27861 3
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 . . 27861 3
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 4 4 THR C C 13 175.255 0.000 . 1 . . . . . 3 THR C . 27861 3
2 . 1 . 1 4 4 THR CA C 13 61.694 0.000 . 1 . . . . . 3 THR CA . 27861 3
3 . 1 . 1 5 5 THR H H 1 8.813 0.009 . 1 . . . . . 4 THR H . 27861 3
4 . 1 . 1 5 5 THR C C 13 173.170 0.000 . 1 . . . . . 4 THR C . 27861 3
5 . 1 . 1 5 5 THR CA C 13 60.766 0.039 . 1 . . . . . 4 THR CA . 27861 3
6 . 1 . 1 5 5 THR N N 15 116.177 0.056 . 1 . . . . . 4 THR N . 27861 3
7 . 1 . 1 6 6 VAL H H 1 8.402 0.014 . 1 . . . . . 5 VAL H . 27861 3
8 . 1 . 1 6 6 VAL C C 13 174.740 0.041 . 1 . . . . . 5 VAL C . 27861 3
9 . 1 . 1 6 6 VAL CA C 13 59.044 0.047 . 1 . . . . . 5 VAL CA . 27861 3
10 . 1 . 1 6 6 VAL N N 15 114.555 0.064 . 1 . . . . . 5 VAL N . 27861 3
11 . 1 . 1 7 7 ASN H H 1 8.327 0.011 . 1 . . . . . 6 ASN H . 27861 3
12 . 1 . 1 7 7 ASN CA C 13 54.562 0.000 . 1 . . . . . 6 ASN CA . 27861 3
13 . 1 . 1 7 7 ASN N N 15 123.970 0.109 . 1 . . . . . 6 ASN N . 27861 3
14 . 1 . 1 9 9 GLY C C 13 172.495 0.000 . 1 . . . . . 8 GLY C . 27861 3
15 . 1 . 1 9 9 GLY CA C 13 46.249 0.000 . 1 . . . . . 8 GLY CA . 27861 3
16 . 1 . 1 10 10 THR H H 1 8.675 0.024 . 1 . . . . . 9 THR H . 27861 3
17 . 1 . 1 10 10 THR C C 13 172.284 0.022 . 1 . . . . . 9 THR C . 27861 3
18 . 1 . 1 10 10 THR CA C 13 61.732 0.080 . 1 . . . . . 9 THR CA . 27861 3
19 . 1 . 1 10 10 THR N N 15 118.994 0.151 . 1 . . . . . 9 THR N . 27861 3
20 . 1 . 1 11 11 VAL H H 1 9.056 0.003 . 1 . . . . . 10 VAL H . 27861 3
21 . 1 . 1 11 11 VAL C C 13 172.259 0.049 . 1 . . . . . 10 VAL C . 27861 3
22 . 1 . 1 11 11 VAL CA C 13 60.131 0.046 . 1 . . . . . 10 VAL CA . 27861 3
23 . 1 . 1 11 11 VAL N N 15 124.139 0.001 . 1 . . . . . 10 VAL N . 27861 3
24 . 1 . 1 12 12 HIS H H 1 8.628 0.012 . 1 . . . . . 11 HIS H . 27861 3
25 . 1 . 1 12 12 HIS C C 13 173.195 0.000 . 1 . . . . . 11 HIS C . 27861 3
26 . 1 . 1 12 12 HIS CA C 13 53.222 0.000 . 1 . . . . . 11 HIS CA . 27861 3
27 . 1 . 1 12 12 HIS N N 15 121.397 0.131 . 1 . . . . . 11 HIS N . 27861 3
28 . 1 . 1 22 22 CYS C C 13 171.504 0.000 . 1 . . . . . 21 CYS C . 27861 3
29 . 1 . 1 22 22 CYS CA C 13 53.064 0.000 . 1 . . . . . 21 CYS CA . 27861 3
30 . 1 . 1 23 23 ALA H H 1 9.253 0.021 . 1 . . . . . 22 ALA H . 27861 3
31 . 1 . 1 23 23 ALA C C 13 175.605 0.000 . 1 . . . . . 22 ALA C . 27861 3
32 . 1 . 1 23 23 ALA CA C 13 50.121 0.087 . 1 . . . . . 22 ALA CA . 27861 3
33 . 1 . 1 23 23 ALA N N 15 123.964 0.118 . 1 . . . . . 22 ALA N . 27861 3
34 . 1 . 1 25 25 ASP C C 13 177.331 0.000 . 1 . . . . . 24 ASP C . 27861 3
35 . 1 . 1 25 25 ASP CA C 13 56.370 0.000 . 1 . . . . . 24 ASP CA . 27861 3
36 . 1 . 1 26 26 ALA H H 1 9.467 0.028 . 1 . . . . . 25 ALA H . 27861 3
37 . 1 . 1 26 26 ALA N N 15 127.477 0.202 . 1 . . . . . 25 ALA N . 27861 3
38 . 1 . 1 28 28 SER C C 13 174.647 0.000 . 1 . . . . . 27 SER C . 27861 3
39 . 1 . 1 28 28 SER CA C 13 59.111 0.000 . 1 . . . . . 27 SER CA . 27861 3
40 . 1 . 1 29 29 VAL H H 1 7.222 0.020 . 1 . . . . . 28 VAL H . 27861 3
41 . 1 . 1 29 29 VAL CA C 13 64.520 0.000 . 1 . . . . . 28 VAL CA . 27861 3
42 . 1 . 1 29 29 VAL N N 15 115.643 0.156 . 1 . . . . . 28 VAL N . 27861 3
43 . 1 . 1 36 36 GLY H H 1 8.737 0.015 . 1 . . . . . 35 GLY H . 27861 3
44 . 1 . 1 36 36 GLY N N 15 104.971 0.000 . 1 . . . . . 35 GLY N . 27861 3
45 . 1 . 1 39 39 ARG C C 13 179.582 0.000 . 1 . . . . . 38 ARG C . 27861 3
46 . 1 . 1 39 39 ARG CA C 13 55.762 0.000 . 1 . . . . . 38 ARG CA . 27861 3
47 . 1 . 1 40 40 THR H H 1 9.177 0.020 . 1 . . . . . 39 THR H . 27861 3
48 . 1 . 1 40 40 THR C C 13 178.426 0.000 . 1 . . . . . 39 THR C . 27861 3
49 . 1 . 1 40 40 THR CA C 13 65.532 0.000 . 1 . . . . . 39 THR CA . 27861 3
50 . 1 . 1 40 40 THR N N 15 115.506 0.012 . 1 . . . . . 39 THR N . 27861 3
51 . 1 . 1 58 58 GLN H H 1 8.993 0.021 . 1 . . . . . 57 GLN H . 27861 3
52 . 1 . 1 58 58 GLN C C 13 173.993 0.000 . 1 . . . . . 57 GLN C . 27861 3
53 . 1 . 1 58 58 GLN CA C 13 55.327 0.000 . 1 . . . . . 57 GLN CA . 27861 3
54 . 1 . 1 58 58 GLN N N 15 128.486 0.082 . 1 . . . . . 57 GLN N . 27861 3
55 . 1 . 1 60 60 ASN C C 13 176.467 0.000 . 1 . . . . . 59 ASN C . 27861 3
56 . 1 . 1 60 60 ASN CA C 13 50.663 0.000 . 1 . . . . . 59 ASN CA . 27861 3
57 . 1 . 1 61 61 ASP H H 1 9.488 0.012 . 1 . . . . . 60 ASP H . 27861 3
58 . 1 . 1 61 61 ASP C C 13 174.733 0.011 . 1 . . . . . 60 ASP C . 27861 3
59 . 1 . 1 61 61 ASP CA C 13 54.144 0.014 . 1 . . . . . 60 ASP CA . 27861 3
60 . 1 . 1 61 61 ASP N N 15 117.392 0.059 . 1 . . . . . 60 ASP N . 27861 3
61 . 1 . 1 68 68 SER H H 1 9.062 0.000 . 1 . . . . . 67 SER H . 27861 3
62 . 1 . 1 68 68 SER N N 15 112.323 0.000 . 1 . . . . . 67 SER N . 27861 3
63 . 1 . 1 113 113 THR H H 1 8.341 0.021 . 1 . . . . . 112 THR H . 27861 3
64 . 1 . 1 113 113 THR C C 13 174.796 0.000 . 1 . . . . . 112 THR C . 27861 3
65 . 1 . 1 113 113 THR CA C 13 64.416 0.021 . 1 . . . . . 112 THR CA . 27861 3
66 . 1 . 1 113 113 THR N N 15 118.390 0.020 . 1 . . . . . 112 THR N . 27861 3
67 . 1 . 1 114 114 LEU H H 1 7.517 0.004 . 1 . . . . . 113 LEU H . 27861 3
68 . 1 . 1 114 114 LEU C C 13 177.768 0.000 . 1 . . . . . 113 LEU C . 27861 3
69 . 1 . 1 114 114 LEU CA C 13 54.866 0.000 . 1 . . . . . 113 LEU CA . 27861 3
70 . 1 . 1 114 114 LEU N N 15 130.045 0.016 . 1 . . . . . 113 LEU N . 27861 3
71 . 1 . 1 115 115 ASP H H 1 8.613 0.004 . 1 . . . . . 114 ASP H . 27861 3
72 . 1 . 1 115 115 ASP C C 13 176.818 0.000 . 1 . . . . . 114 ASP C . 27861 3
73 . 1 . 1 115 115 ASP CA C 13 51.092 0.002 . 1 . . . . . 114 ASP CA . 27861 3
74 . 1 . 1 115 115 ASP N N 15 117.872 0.028 . 1 . . . . . 114 ASP N . 27861 3
75 . 1 . 1 117 117 ALA CA C 13 51.044 0.000 . 1 . . . . . 116 ALA CA . 27861 3
76 . 1 . 1 118 118 THR H H 1 7.977 0.006 . 1 . . . . . 117 THR H . 27861 3
77 . 1 . 1 118 118 THR C C 13 173.865 0.000 . 1 . . . . . 117 THR C . 27861 3
78 . 1 . 1 118 118 THR CA C 13 61.961 0.005 . 1 . . . . . 117 THR CA . 27861 3
79 . 1 . 1 118 118 THR N N 15 120.437 0.112 . 1 . . . . . 117 THR N . 27861 3
80 . 1 . 1 119 119 PHE H H 1 8.789 0.011 . 1 . . . . . 118 PHE H . 27861 3
81 . 1 . 1 119 119 PHE C C 13 176.816 0.000 . 1 . . . . . 118 PHE C . 27861 3
82 . 1 . 1 119 119 PHE CA C 13 59.964 0.000 . 1 . . . . . 118 PHE CA . 27861 3
83 . 1 . 1 119 119 PHE N N 15 125.966 0.071 . 1 . . . . . 118 PHE N . 27861 3
84 . 1 . 1 122 122 GLU H H 1 9.184 0.000 . 1 . . . . . 121 GLU H . 27861 3
85 . 1 . 1 122 122 GLU CA C 13 56.697 0.000 . 1 . . . . . 121 GLU CA . 27861 3
86 . 1 . 1 122 122 GLU N N 15 128.032 0.000 . 1 . . . . . 121 GLU N . 27861 3
87 . 1 . 1 147 147 GLY H H 1 8.876 0.000 . 1 . . . . . 146 GLY H . 27861 3
88 . 1 . 1 147 147 GLY CA C 13 44.401 0.000 . 1 . . . . . 146 GLY CA . 27861 3
89 . 1 . 1 147 147 GLY N N 15 107.634 0.000 . 1 . . . . . 146 GLY N . 27861 3
90 . 1 . 1 148 148 ALA CA C 13 53.920 0.000 . 1 . . . . . 147 ALA CA . 27861 3
91 . 1 . 1 149 149 ALA H H 1 8.649 0.000 . 1 . . . . . 148 ALA H . 27861 3
92 . 1 . 1 149 149 ALA N N 15 128.441 0.000 . 1 . . . . . 148 ALA N . 27861 3
93 . 1 . 1 156 156 LYS H H 1 8.526 0.000 . 1 . . . . . 155 LYS H . 27861 3
94 . 1 . 1 156 156 LYS CA C 13 53.210 0.009 . 1 . . . . . 155 LYS CA . 27861 3
95 . 1 . 1 156 156 LYS N N 15 120.502 0.000 . 1 . . . . . 155 LYS N . 27861 3
96 . 1 . 1 157 157 VAL H H 1 8.875 0.012 . 1 . . . . . 156 VAL H . 27861 3
97 . 1 . 1 157 157 VAL C C 13 173.378 0.030 . 1 . . . . . 156 VAL C . 27861 3
98 . 1 . 1 157 157 VAL CA C 13 60.185 0.052 . 1 . . . . . 156 VAL CA . 27861 3
99 . 1 . 1 157 157 VAL N N 15 125.451 0.050 . 1 . . . . . 156 VAL N . 27861 3
100 . 1 . 1 158 158 GLN H H 1 9.045 0.009 . 1 . . . . . 157 GLN H . 27861 3
101 . 1 . 1 158 158 GLN C C 13 173.710 0.000 . 1 . . . . . 157 GLN C . 27861 3
102 . 1 . 1 158 158 GLN CA C 13 53.428 0.000 . 1 . . . . . 157 GLN CA . 27861 3
103 . 1 . 1 158 158 GLN N N 15 123.800 0.000 . 1 . . . . . 157 GLN N . 27861 3
104 . 1 . 1 159 159 TYR C C 13 175.555 0.000 . 1 . . . . . 158 TYR C . 27861 3
105 . 1 . 1 159 159 TYR CA C 13 55.735 0.000 . 1 . . . . . 158 TYR CA . 27861 3
106 . 1 . 1 160 160 GLN H H 1 8.671 0.027 . 1 . . . . . 159 GLN H . 27861 3
107 . 1 . 1 160 160 GLN CA C 13 57.280 0.000 . 1 . . . . . 159 GLN CA . 27861 3
108 . 1 . 1 160 160 GLN N N 15 126.809 0.011 . 1 . . . . . 159 GLN N . 27861 3
stop_
save_