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 26678
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $aqueous_trifluoroethanol
_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 $sample_1 isotropic 26678 1
2 '3D HNCA' 1 $sample_1 isotropic 26678 1
3 '3D HNCO' 1 $sample_1 isotropic 26678 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 . . 26678 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 ASP C C 13 171.353 0.02 . 1 . 118 . . 1 ASP C . 26678 1
2 . 1 1 1 1 ASP CA C 13 54.871 0.02 . 1 . 161 . . 1 ASP CA . 26678 1
3 . 1 1 2 2 ALA H H 1 8.762 0.001 . 1 . 108 . . 2 ALA H . 26678 1
4 . 1 1 2 2 ALA C C 13 176.499 0.02 . 1 . 119 . . 2 ALA C . 26678 1
5 . 1 1 2 2 ALA CA C 13 53.964 0.01 . 1 . 159 . . 2 ALA CA . 26678 1
6 . 1 1 2 2 ALA N N 15 123.772 0.004 . 1 . 109 . . 2 ALA N . 26678 1
7 . 1 1 3 3 GLU H H 1 8.282 0.004 . 1 . 110 . . 3 GLU H . 26678 1
8 . 1 1 3 3 GLU C C 13 175.293 0.02 . 1 . 121 . . 3 GLU C . 26678 1
9 . 1 1 3 3 GLU CA C 13 57.660 0.017 . 1 . 160 . . 3 GLU CA . 26678 1
10 . 1 1 3 3 GLU N N 15 118.792 0.029 . 1 . 111 . . 3 GLU N . 26678 1
11 . 1 1 4 4 PHE H H 1 8.012 0.002 . 1 . 116 . . 4 PHE H . 26678 1
12 . 1 1 4 4 PHE C C 13 175.322 0.02 . 1 . 165 . . 4 PHE C . 26678 1
13 . 1 1 4 4 PHE CA C 13 59.181 0.025 . 1 . 162 . . 4 PHE CA . 26678 1
14 . 1 1 4 4 PHE N N 15 120.589 0.02 . 1 . 117 . . 4 PHE N . 26678 1
15 . 1 1 5 5 ARG H H 1 8.031 0.003 . 1 . 114 . . 5 ARG H . 26678 1
16 . 1 1 5 5 ARG C C 13 175.635 0.02 . 1 . 164 . . 5 ARG C . 26678 1
17 . 1 1 5 5 ARG CA C 13 57.653 0.001 . 1 . 163 . . 5 ARG CA . 26678 1
18 . 1 1 5 5 ARG N N 15 119.226 0.023 . 1 . 115 . . 5 ARG N . 26678 1
19 . 1 1 6 6 HIS H H 1 8.428 0.002 . 1 . 71 . . 6 HIS H . 26678 1
20 . 1 1 6 6 HIS C C 13 173.568 0.02 . 1 . 120 . . 6 HIS C . 26678 1
21 . 1 1 6 6 HIS CA C 13 56.687 0.012 . 1 . 155 . . 6 HIS CA . 26678 1
22 . 1 1 6 6 HIS N N 15 118.060 0.025 . 1 . 72 . . 6 HIS N . 26678 1
23 . 1 1 7 7 ASP H H 1 8.449 0.001 . 1 . 112 . . 7 ASP H . 26678 1
24 . 1 1 7 7 ASP C C 13 175.254 0.02 . 1 . 73 . . 7 ASP C . 26678 1
25 . 1 1 7 7 ASP CA C 13 54.587 0.009 . 1 . 136 . . 7 ASP CA . 26678 1
26 . 1 1 7 7 ASP N N 15 119.808 0.031 . 1 . 113 . . 7 ASP N . 26678 1
27 . 1 1 8 8 SER H H 1 8.475 0.003 . 1 . 19 . . 8 SER H . 26678 1
28 . 1 1 8 8 SER C C 13 174.736 0.02 . 1 . 74 . . 8 SER C . 26678 1
29 . 1 1 8 8 SER CA C 13 60.995 0.002 . 1 . 131 . . 8 SER CA . 26678 1
30 . 1 1 8 8 SER N N 15 116.914 0.02 . 1 . 20 . . 8 SER N . 26678 1
31 . 1 1 9 9 GLY H H 1 8.498 0.003 . 1 . 1 . . 9 GLY H . 26678 1
32 . 1 1 9 9 GLY C C 13 174.939 0.02 . 1 . 75 . . 9 GLY C . 26678 1
33 . 1 1 9 9 GLY CA C 13 47.452 0.003 . 1 . 132 . . 9 GLY CA . 26678 1
34 . 1 1 9 9 GLY N N 15 109.525 0.02 . 1 . 2 . . 9 GLY N . 26678 1
35 . 1 1 10 10 TYR H H 1 8.096 0.003 . 1 . 57 . . 10 TYR H . 26678 1
36 . 1 1 10 10 TYR C C 13 176.889 0.02 . 1 . 76 . . 10 TYR C . 26678 1
37 . 1 1 10 10 TYR CA C 13 61.894 0.016 . 1 . 152 . . 10 TYR CA . 26678 1
38 . 1 1 10 10 TYR N N 15 121.618 0.016 . 1 . 58 . . 10 TYR N . 26678 1
39 . 1 1 11 11 GLU H H 1 8.372 0.003 . 1 . 69 . . 11 GLU H . 26678 1
40 . 1 1 11 11 GLU C C 13 177.444 0.02 . 1 . 77 . . 11 GLU C . 26678 1
41 . 1 1 11 11 GLU CA C 13 59.755 0.005 . 1 . 149 . . 11 GLU CA . 26678 1
42 . 1 1 11 11 GLU N N 15 119.888 0.057 . 1 . 70 . . 11 GLU N . 26678 1
43 . 1 1 12 12 VAL H H 1 8.221 0.006 . 1 . 37 . . 12 VAL H . 26678 1
44 . 1 1 12 12 VAL C C 13 176.840 0.02 . 1 . 78 . . 12 VAL C . 26678 1
45 . 1 1 12 12 VAL CA C 13 66.502 0.011 . 1 . 138 . . 12 VAL CA . 26678 1
46 . 1 1 12 12 VAL N N 15 119.320 0.03 . 1 . 38 . . 12 VAL N . 26678 1
47 . 1 1 13 13 HIS H H 1 8.093 0.002 . 1 . 67 . . 13 HIS H . 26678 1
48 . 1 1 13 13 HIS C C 13 175.086 0.02 . 1 . 79 . . 13 HIS C . 26678 1
49 . 1 1 13 13 HIS CA C 13 59.385 0.0 . 1 . 137 . . 13 HIS CA . 26678 1
50 . 1 1 13 13 HIS N N 15 117.068 0.029 . 1 . 68 . . 13 HIS N . 26678 1
51 . 1 1 14 14 HIS H H 1 8.514 0.001 . 1 . 21 . . 14 HIS H . 26678 1
52 . 1 1 14 14 HIS C C 13 174.551 0.02 . 1 . 80 . . 14 HIS C . 26678 1
53 . 1 1 14 14 HIS CA C 13 59.583 0.011 . 1 . 139 . . 14 HIS CA . 26678 1
54 . 1 1 14 14 HIS N N 15 116.917 0.038 . 1 . 22 . . 14 HIS N . 26678 1
55 . 1 1 15 15 GLN H H 1 8.338 0.001 . 1 . 29 . . 15 GLN H . 26678 1
56 . 1 1 15 15 GLN C C 13 176.640 0.02 . 1 . 81 . . 15 GLN C . 26678 1
57 . 1 1 15 15 GLN CA C 13 59.303 0.002 . 1 . 144 . . 15 GLN CA . 26678 1
58 . 1 1 15 15 GLN N N 15 118.541 0.045 . 1 . 30 . . 15 GLN N . 26678 1
59 . 1 1 16 16 LYS H H 1 8.087 0.002 . 1 . 35 . . 16 LYS H . 26678 1
60 . 1 1 16 16 LYS C C 13 177.123 0.02 . 1 . 82 . . 16 LYS C . 26678 1
61 . 1 1 16 16 LYS CA C 13 60.207 0.005 . 1 . 143 . . 16 LYS CA . 26678 1
62 . 1 1 16 16 LYS N N 15 118.598 0.034 . 1 . 36 . . 16 LYS N . 26678 1
63 . 1 1 17 17 LEU H H 1 7.712 0.001 . 1 . 65 . . 17 LEU H . 26678 1
64 . 1 1 17 17 LEU C C 13 177.611 0.02 . 1 . 83 . . 17 LEU C . 26678 1
65 . 1 1 17 17 LEU CA C 13 58.571 0.021 . 1 . 150 . . 17 LEU CA . 26678 1
66 . 1 1 17 17 LEU N N 15 119.633 0.006 . 1 . 66 . . 17 LEU N . 26678 1
67 . 1 1 18 18 VAL H H 1 7.835 0.003 . 1 . 46 . . 18 VAL H . 26678 1
68 . 1 1 18 18 VAL C C 13 176.806 0.02 . 1 . 84 . . 18 VAL C . 26678 1
69 . 1 1 18 18 VAL CA C 13 66.981 0.015 . 1 . 146 . . 18 VAL CA . 26678 1
70 . 1 1 18 18 VAL N N 15 119.049 0.049 . 1 . 45 . . 18 VAL N . 26678 1
71 . 1 1 19 19 PHE H H 1 8.088 0.003 . 1 . 41 . . 19 PHE H . 26678 1
72 . 1 1 19 19 PHE C C 13 177.097 0.02 . 1 . 85 . . 19 PHE C . 26678 1
73 . 1 1 19 19 PHE CA C 13 60.924 0.014 . 1 . 153 . . 19 PHE CA . 26678 1
74 . 1 1 19 19 PHE N N 15 119.144 0.104 . 1 . 42 . . 19 PHE N . 26678 1
75 . 1 1 20 20 PHE H H 1 8.393 0.005 . 1 . 61 . . 20 PHE H . 26678 1
76 . 1 1 20 20 PHE C C 13 176.275 0.02 . 1 . 86 . . 20 PHE C . 26678 1
77 . 1 1 20 20 PHE CA C 13 61.882 0.01 . 1 . 154 . . 20 PHE CA . 26678 1
78 . 1 1 20 20 PHE N N 15 119.923 0.042 . 1 . 62 . . 20 PHE N . 26678 1
79 . 1 1 21 21 ALA H H 1 8.645 0.002 . 1 . 28 . . 21 ALA H . 26678 1
80 . 1 1 21 21 ALA C C 13 179.413 0.02 . 1 . 87 . . 21 ALA C . 26678 1
81 . 1 1 21 21 ALA CA C 13 55.794 0.005 . 1 . 134 . . 21 ALA CA . 26678 1
82 . 1 1 21 21 ALA N N 15 121.803 0.014 . 1 . 27 . . 21 ALA N . 26678 1
83 . 1 1 22 22 GLU H H 1 8.382 0.001 . 1 . 23 . . 22 GLU H . 26678 1
84 . 1 1 22 22 GLU C C 13 176.845 0.02 . 1 . 88 . . 22 GLU C . 26678 1
85 . 1 1 22 22 GLU CA C 13 58.463 0.018 . 1 . 135 . . 22 GLU CA . 26678 1
86 . 1 1 22 22 GLU N N 15 115.685 0.01 . 1 . 24 . . 22 GLU N . 26678 1
87 . 1 1 23 23 ASP H H 1 8.247 0.001 . 1 . 31 . . 23 ASP H . 26678 1
88 . 1 1 23 23 ASP C C 13 175.915 0.02 . 1 . 89 . . 23 ASP C . 26678 1
89 . 1 1 23 23 ASP CA C 13 55.753 0.005 . 1 . 147 . . 23 ASP CA . 26678 1
90 . 1 1 23 23 ASP N N 15 118.787 0.023 . 1 . 32 . . 23 ASP N . 26678 1
91 . 1 1 24 24 VAL H H 1 8.140 0.002 . 1 . 39 . . 24 VAL H . 26678 1
92 . 1 1 24 24 VAL C C 13 176.922 0.02 . 1 . 90 . . 24 VAL C . 26678 1
93 . 1 1 24 24 VAL CA C 13 65.730 0.009 . 1 . 129 . . 24 VAL CA . 26678 1
94 . 1 1 24 24 VAL N N 15 119.269 0.012 . 1 . 40 . . 24 VAL N . 26678 1
95 . 1 1 25 25 GLY H H 1 8.192 0.003 . 1 . 11 . . 25 GLY H . 26678 1
96 . 1 1 25 25 GLY C C 13 174.281 0.02 . 1 . 91 . . 25 GLY C . 26678 1
97 . 1 1 25 25 GLY CA C 13 47.034 0.012 . 1 . 128 . . 25 GLY CA . 26678 1
98 . 1 1 25 25 GLY N N 15 107.356 0.012 . 1 . 12 . . 25 GLY N . 26678 1
99 . 1 1 26 26 SER H H 1 7.937 0.002 . 1 . 15 . . 26 SER H . 26678 1
100 . 1 1 26 26 SER C C 13 173.953 0.02 . 1 . 92 . . 26 SER C . 26678 1
101 . 1 1 26 26 SER CA C 13 60.110 0.003 . 1 . 133 . . 26 SER CA . 26678 1
102 . 1 1 26 26 SER N N 15 114.616 0.007 . 1 . 16 . . 26 SER N . 26678 1
103 . 1 1 27 27 ASN H H 1 8.105 0.002 . 1 . 63 . . 27 ASN H . 26678 1
104 . 1 1 27 27 ASN C C 13 174.750 0.02 . 1 . 93 . . 27 ASN C . 26678 1
105 . 1 1 27 27 ASN CA C 13 54.588 0.003 . 1 . 151 . . 27 ASN CA . 26678 1
106 . 1 1 27 27 ASN N N 15 120.023 0.014 . 1 . 64 . . 27 ASN N . 26678 1
107 . 1 1 28 28 LYS H H 1 8.274 0.002 . 1 . 59 . . 28 LYS H . 26678 1
108 . 1 1 28 28 LYS C C 13 176.578 0.02 . 1 . 94 . . 28 LYS C . 26678 1
109 . 1 1 28 28 LYS CA C 13 59.443 0.0 . 1 . 125 . . 28 LYS CA . 26678 1
110 . 1 1 28 28 LYS N N 15 120.922 0.012 . 1 . 60 . . 28 LYS N . 26678 1
111 . 1 1 29 29 GLY H H 1 8.370 0.001 . 1 . 3 . . 29 GLY H . 26678 1
112 . 1 1 29 29 GLY C C 13 174.531 0.02 . 1 . 95 . . 29 GLY C . 26678 1
113 . 1 1 29 29 GLY CA C 13 47.269 0.004 . 1 . 124 . . 29 GLY CA . 26678 1
114 . 1 1 29 29 GLY N N 15 105.719 0.022 . 1 . 4 . . 29 GLY N . 26678 1
115 . 1 1 30 30 ALA H H 1 7.823 0.001 . 1 . 47 . . 30 ALA H . 26678 1
116 . 1 1 30 30 ALA C C 13 178.141 0.02 . 1 . 96 . . 30 ALA C . 26678 1
117 . 1 1 30 30 ALA CA C 13 55.048 0.003 . 1 . 141 . . 30 ALA CA . 26678 1
118 . 1 1 30 30 ALA N N 15 123.127 0.019 . 1 . 48 . . 30 ALA N . 26678 1
119 . 1 1 31 31 ILE H H 1 7.723 0.003 . 1 . 17 . . 31 ILE H . 26678 1
120 . 1 1 31 31 ILE C C 13 176.530 0.02 . 1 . 97 . . 31 ILE C . 26678 1
121 . 1 1 31 31 ILE CA C 13 64.387 0.034 . 1 . 140 . . 31 ILE CA . 26678 1
122 . 1 1 31 31 ILE N N 15 117.234 0.013 . 1 . 18 . . 31 ILE N . 26678 1
123 . 1 1 32 32 ILE H H 1 7.969 0.003 . 1 . 55 . . 32 ILE H . 26678 1
124 . 1 1 32 32 ILE C C 13 177.088 0.02 . 1 . 98 . . 32 ILE C . 26678 1
125 . 1 1 32 32 ILE CA C 13 65.009 0.05 . 1 . 123 . . 32 ILE CA . 26678 1
126 . 1 1 32 32 ILE N N 15 120.421 0.013 . 1 . 56 . . 32 ILE N . 26678 1
127 . 1 1 33 33 GLY H H 1 8.031 0.002 . 1 . 9 . . 33 GLY H . 26678 1
128 . 1 1 33 33 GLY C C 13 175.150 0.02 . 1 . 99 . . 33 GLY C . 26678 1
129 . 1 1 33 33 GLY CA C 13 47.704 0.009 . 1 . 122 . . 33 GLY CA . 26678 1
130 . 1 1 33 33 GLY N N 15 106.203 0.025 . 1 . 10 . . 33 GLY N . 26678 1
131 . 1 1 34 34 LEU H H 1 7.908 0.001 . 1 . 54 . . 34 LEU H . 26678 1
132 . 1 1 34 34 LEU C C 13 178.077 0.02 . 1 . 100 . . 34 LEU C . 26678 1
133 . 1 1 34 34 LEU CA C 13 58.036 0.002 . 1 . 148 . . 34 LEU CA . 26678 1
134 . 1 1 34 34 LEU N N 15 121.295 0.022 . 1 . 53 . . 34 LEU N . 26678 1
135 . 1 1 35 35 MET H H 1 8.222 0.006 . 1 . 33 . . 35 MET H . 26678 1
136 . 1 1 35 35 MET C C 13 177.788 0.02 . 1 . 101 . . 35 MET C . 26678 1
137 . 1 1 35 35 MET CA C 13 58.767 0.003 . 1 . 142 . . 35 MET CA . 26678 1
138 . 1 1 35 35 MET N N 15 118.951 0.055 . 1 . 34 . . 35 MET N . 26678 1
139 . 1 1 36 36 VAL H H 1 8.512 0.002 . 1 . 25 . . 36 VAL H . 26678 1
140 . 1 1 36 36 VAL C C 13 176.797 0.02 . 1 . 102 . . 36 VAL C . 26678 1
141 . 1 1 36 36 VAL CA C 13 65.058 0.006 . 1 . 130 . . 36 VAL CA . 26678 1
142 . 1 1 36 36 VAL N N 15 117.869 0.014 . 1 . 26 . . 36 VAL N . 26678 1
143 . 1 1 37 37 GLY H H 1 8.090 0.001 . 1 . 5 . . 37 GLY H . 26678 1
144 . 1 1 37 37 GLY C C 13 173.980 0.02 . 1 . 103 . . 37 GLY C . 26678 1
145 . 1 1 37 37 GLY CA C 13 46.624 0.0 . 1 . 127 . . 37 GLY CA . 26678 1
146 . 1 1 37 37 GLY N N 15 107.681 0.012 . 1 . 6 . . 37 GLY N . 26678 1
147 . 1 1 38 38 GLY H H 1 7.998 0.002 . 1 . 7 . . 38 GLY H . 26678 1
148 . 1 1 38 38 GLY C C 13 173.134 0.02 . 1 . 104 . . 38 GLY C . 26678 1
149 . 1 1 38 38 GLY CA C 13 46.480 0.017 . 1 . 126 . . 38 GLY CA . 26678 1
150 . 1 1 38 38 GLY N N 15 107.342 0.141 . 1 . 8 . . 38 GLY N . 26678 1
151 . 1 1 39 39 VAL H H 1 7.836 0.001 . 1 . 43 . . 39 VAL H . 26678 1
152 . 1 1 39 39 VAL C C 13 174.861 0.02 . 1 . 105 . . 39 VAL C . 26678 1
153 . 1 1 39 39 VAL CA C 13 63.719 0.0 . 1 . 145 . . 39 VAL CA . 26678 1
154 . 1 1 39 39 VAL N N 15 118.825 0.015 . 1 . 44 . . 39 VAL N . 26678 1
155 . 1 1 40 40 VAL H H 1 7.853 0.002 . 1 . 51 . . 40 VAL H . 26678 1
156 . 1 1 40 40 VAL C C 13 174.668 0.02 . 1 . 106 . . 40 VAL C . 26678 1
157 . 1 1 40 40 VAL CA C 13 63.341 0.004 . 1 . 157 . . 40 VAL CA . 26678 1
158 . 1 1 40 40 VAL N N 15 121.605 0.207 . 1 . 52 . . 40 VAL N . 26678 1
159 . 1 1 41 41 ILE H H 1 7.940 0.004 . 1 . 49 . . 41 ILE H . 26678 1
160 . 1 1 41 41 ILE C C 13 174.278 0.02 . 1 . 107 . . 41 ILE C . 26678 1
161 . 1 1 41 41 ILE CA C 13 61.615 0.006 . 1 . 156 . . 41 ILE CA . 26678 1
162 . 1 1 41 41 ILE N N 15 122.957 0.026 . 1 . 50 . . 41 ILE N . 26678 1
163 . 1 1 42 42 ALA H H 1 7.948 0.003 . 1 . 13 . . 42 ALA H . 26678 1
164 . 1 1 42 42 ALA CA C 13 52.418 0.02 . 1 . 158 . . 42 ALA CA . 26678 1
165 . 1 1 42 42 ALA N N 15 127.291 0.038 . 1 . 14 . . 42 ALA N . 26678 1
stop_
save_