Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 26900
_Assigned_chem_shift_list.ID 1
_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 .
_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 20 ms DAR' . . . 26900 1
2 '2D NCA' . . . 26900 1
3 '3D NCOCA' . . . 26900 1
4 '3D NCACX' . . . 26900 1
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 PHE C C 13 174.72 0.000 . 1 . . . . . 4 PHE C . 26900 1
2 . 1 . 1 4 4 PHE CA C 13 56.01 0.038 . 1 . . . . . 4 PHE CA . 26900 1
3 . 1 . 1 4 4 PHE CB C 13 41.76 0.125 . 1 . . . . . 4 PHE CB . 26900 1
4 . 1 . 1 4 4 PHE CG C 13 137.48 0.038 . 1 . . . . . 4 PHE CG . 26900 1
5 . 1 . 1 4 4 PHE CD1 C 13 131.94 0.443 . 1 . . . . . 4 PHE CD1 . 26900 1
6 . 1 . 1 4 4 PHE CD2 C 13 131.94 0.443 . 1 . . . . . 4 PHE CD2 . 26900 1
7 . 1 . 1 4 4 PHE CE1 C 13 130.54 0.161 . 1 . . . . . 4 PHE CE1 . 26900 1
8 . 1 . 1 4 4 PHE CE2 C 13 130.54 0.161 . 1 . . . . . 4 PHE CE2 . 26900 1
9 . 1 . 1 4 4 PHE CZ C 13 127.79 0.039 . 1 . . . . . 4 PHE CZ . 26900 1
10 . 1 . 1 4 4 PHE N N 15 123.54 0.238 . 1 . . . . . 4 PHE N . 26900 1
11 . 1 . 1 5 5 MET C C 13 174.02 0.002 . 1 . . . . . 5 MET C . 26900 1
12 . 1 . 1 5 5 MET CA C 13 53.76 0.028 . 1 . . . . . 5 MET CA . 26900 1
13 . 1 . 1 5 5 MET N N 15 124.02 0.003 . 1 . . . . . 5 MET N . 26900 1
14 . 1 . 1 6 6 THR C C 13 174.82 0.021 . 1 . . . . . 6 THR C . 26900 1
15 . 1 . 1 6 6 THR CA C 13 59.11 0.093 . 1 . . . . . 6 THR CA . 26900 1
16 . 1 . 1 6 6 THR CB C 13 70.56 0.046 . 1 . . . . . 6 THR CB . 26900 1
17 . 1 . 1 6 6 THR CG2 C 13 21.39 0.050 . 1 . . . . . 6 THR CG2 . 26900 1
18 . 1 . 1 6 6 THR N N 15 115.78 0.055 . 1 . . . . . 6 THR N . 26900 1
19 . 1 . 1 7 7 SER C C 13 174.96 0.118 . 1 . . . . . 7 SER C . 26900 1
20 . 1 . 1 7 7 SER CA C 13 56.73 0.079 . 1 . . . . . 7 SER CA . 26900 1
21 . 1 . 1 7 7 SER CB C 13 65.02 0.069 . 1 . . . . . 7 SER CB . 26900 1
22 . 1 . 1 7 7 SER N N 15 115.48 0.026 . 1 . . . . . 7 SER N . 26900 1
23 . 1 . 1 8 8 GLU C C 13 174.95 0.225 . 1 . . . . . 8 GLU C . 26900 1
24 . 1 . 1 8 8 GLU CA C 13 53.73 0.043 . 1 . . . . . 8 GLU CA . 26900 1
25 . 1 . 1 8 8 GLU CB C 13 30.32 0.049 . 1 . . . . . 8 GLU CB . 26900 1
26 . 1 . 1 8 8 GLU CG C 13 32.75 0.121 . 1 . . . . . 8 GLU CG . 26900 1
27 . 1 . 1 8 8 GLU N N 15 126.65 0.044 . 1 . . . . . 8 GLU N . 26900 1
28 . 1 . 1 9 9 LYS C C 13 172.90 0.081 . 1 . . . . . 9 LYS C . 26900 1
29 . 1 . 1 9 9 LYS CA C 13 54.58 0.257 . 1 . . . . . 9 LYS CA . 26900 1
30 . 1 . 1 9 9 LYS CB C 13 36.49 0.125 . 1 . . . . . 9 LYS CB . 26900 1
31 . 1 . 1 9 9 LYS CG C 13 25.05 0.084 . 1 . . . . . 9 LYS CG . 26900 1
32 . 1 . 1 9 9 LYS CD C 13 29.57 0.088 . 1 . . . . . 9 LYS CD . 26900 1
33 . 1 . 1 9 9 LYS CE C 13 41.85 0.066 . 1 . . . . . 9 LYS CE . 26900 1
34 . 1 . 1 9 9 LYS N N 15 126.17 0.213 . 1 . . . . . 9 LYS N . 26900 1
35 . 1 . 1 10 10 SER C C 13 174.32 0.048 . 1 . . . . . 10 SER C . 26900 1
36 . 1 . 1 10 10 SER CA C 13 55.21 0.060 . 1 . . . . . 10 SER CA . 26900 1
37 . 1 . 1 10 10 SER CB C 13 64.94 0.052 . 1 . . . . . 10 SER CB . 26900 1
38 . 1 . 1 10 10 SER N N 15 118.30 0.061 . 1 . . . . . 10 SER N . 26900 1
39 . 1 . 1 11 11 GLN C C 13 175.26 0.106 . 1 . . . . . 11 GLN C . 26900 1
40 . 1 . 1 11 11 GLN CA C 13 53.67 0.099 . 1 . . . . . 11 GLN CA . 26900 1
41 . 1 . 1 11 11 GLN CB C 13 32.78 0.079 . 1 . . . . . 11 GLN CB . 26900 1
42 . 1 . 1 11 11 GLN CG C 13 33.94 0.277 . 1 . . . . . 11 GLN CG . 26900 1
43 . 1 . 1 11 11 GLN CD C 13 179.26 0.099 . 1 . . . . . 11 GLN CD . 26900 1
44 . 1 . 1 11 11 GLN N N 15 126.61 0.045 . 1 . . . . . 11 GLN N . 26900 1
45 . 1 . 1 12 12 THR C C 13 172.45 0.112 . 1 . . . . . 12 THR C . 26900 1
46 . 1 . 1 12 12 THR CA C 13 53.15 0.128 . 1 . . . . . 12 THR CA . 26900 1
47 . 1 . 1 12 12 THR CB C 13 71.29 0.082 . 1 . . . . . 12 THR CB . 26900 1
48 . 1 . 1 12 12 THR CG2 C 13 19.02 0.072 . 1 . . . . . 12 THR CG2 . 26900 1
49 . 1 . 1 12 12 THR N N 15 112.02 0.240 . 1 . . . . . 12 THR N . 26900 1
50 . 1 . 1 13 13 PRO C C 13 173.04 0.105 . 1 . . . . . 13 PRO C . 26900 1
51 . 1 . 1 13 13 PRO CA C 13 61.06 0.089 . 1 . . . . . 13 PRO CA . 26900 1
52 . 1 . 1 13 13 PRO CB C 13 29.57 0.070 . 1 . . . . . 13 PRO CB . 26900 1
53 . 1 . 1 13 13 PRO CG C 13 27.15 0.082 . 1 . . . . . 13 PRO CG . 26900 1
54 . 1 . 1 13 13 PRO CD C 13 47.95 0.091 . 1 . . . . . 13 PRO CD . 26900 1
55 . 1 . 1 13 13 PRO N N 15 140.59 0.030 . 1 . . . . . 13 PRO N . 26900 1
56 . 1 . 1 14 14 LEU C C 13 174.68 0.064 . 1 . . . . . 14 LEU C . 26900 1
57 . 1 . 1 14 14 LEU CA C 13 53.84 0.058 . 1 . . . . . 14 LEU CA . 26900 1
58 . 1 . 1 14 14 LEU CB C 13 41.21 0.102 . 1 . . . . . 14 LEU CB . 26900 1
59 . 1 . 1 14 14 LEU CG C 13 29.22 0.133 . 1 . . . . . 14 LEU CG . 26900 1
60 . 1 . 1 14 14 LEU CD1 C 13 26.84 0.107 . 2 . . . . . 14 LEU CD1 . 26900 1
61 . 1 . 1 14 14 LEU CD2 C 13 23.64 0.085 . 2 . . . . . 14 LEU CD2 . 26900 1
62 . 1 . 1 14 14 LEU N N 15 132.61 0.046 . 1 . . . . . 14 LEU N . 26900 1
63 . 1 . 1 15 15 VAL C C 13 177.21 0.036 . 1 . . . . . 15 VAL C . 26900 1
64 . 1 . 1 15 15 VAL CA C 13 60.07 0.084 . 1 . . . . . 15 VAL CA . 26900 1
65 . 1 . 1 15 15 VAL CB C 13 35.11 0.073 . 1 . . . . . 15 VAL CB . 26900 1
66 . 1 . 1 15 15 VAL CG1 C 13 20.26 0.161 . 2 . . . . . 15 VAL CG1 . 26900 1
67 . 1 . 1 15 15 VAL CG2 C 13 20.26 0.070 . 2 . . . . . 15 VAL CG2 . 26900 1
68 . 1 . 1 15 15 VAL N N 15 120.68 0.094 . 1 . . . . . 15 VAL N . 26900 1
69 . 1 . 1 16 16 THR C C 13 171.27 0.050 . 1 . . . . . 16 THR C . 26900 1
70 . 1 . 1 16 16 THR CA C 13 62.53 0.072 . 1 . . . . . 16 THR CA . 26900 1
71 . 1 . 1 16 16 THR CB C 13 69.89 0.074 . 1 . . . . . 16 THR CB . 26900 1
72 . 1 . 1 16 16 THR CG2 C 13 20.46 0.074 . 1 . . . . . 16 THR CG2 . 26900 1
73 . 1 . 1 16 16 THR N N 15 131.23 0.101 . 1 . . . . . 16 THR N . 26900 1
74 . 1 . 1 17 17 LEU C C 13 173.02 0.073 . 1 . . . . . 17 LEU C . 26900 1
75 . 1 . 1 17 17 LEU CA C 13 53.43 0.183 . 1 . . . . . 17 LEU CA . 26900 1
76 . 1 . 1 17 17 LEU CB C 13 45.84 0.071 . 1 . . . . . 17 LEU CB . 26900 1
77 . 1 . 1 17 17 LEU CG C 13 27.19 0.142 . 1 . . . . . 17 LEU CG . 26900 1
78 . 1 . 1 17 17 LEU CD2 C 13 25.43 0.000 . 1 . . . . . 17 LEU CD2 . 26900 1
79 . 1 . 1 17 17 LEU N N 15 127.93 0.031 . 1 . . . . . 17 LEU N . 26900 1
80 . 1 . 1 18 18 PHE C C 13 173.50 0.042 . 1 . . . . . 18 PHE C . 26900 1
81 . 1 . 1 18 18 PHE CA C 13 56.16 0.079 . 1 . . . . . 18 PHE CA . 26900 1
82 . 1 . 1 18 18 PHE CB C 13 41.14 0.286 . 1 . . . . . 18 PHE CB . 26900 1
83 . 1 . 1 18 18 PHE CG C 13 137.64 0.105 . 1 . . . . . 18 PHE CG . 26900 1
84 . 1 . 1 18 18 PHE CD1 C 13 131.78 0.346 . 1 . . . . . 18 PHE CD1 . 26900 1
85 . 1 . 1 18 18 PHE CD2 C 13 131.32 0.346 . 1 . . . . . 18 PHE CD2 . 26900 1
86 . 1 . 1 18 18 PHE CE1 C 13 130.77 0.048 . 1 . . . . . 18 PHE CE1 . 26900 1
87 . 1 . 1 18 18 PHE CE2 C 13 130.77 0.048 . 1 . . . . . 18 PHE CE2 . 26900 1
88 . 1 . 1 18 18 PHE CZ C 13 127.50 0.149 . 1 . . . . . 18 PHE CZ . 26900 1
89 . 1 . 1 18 18 PHE N N 15 123.04 0.096 . 1 . . . . . 18 PHE N . 26900 1
90 . 1 . 1 19 19 LYS C C 13 174.90 0.051 . 1 . . . . . 19 LYS C . 26900 1
91 . 1 . 1 19 19 LYS CA C 13 53.71 0.087 . 1 . . . . . 19 LYS CA . 26900 1
92 . 1 . 1 19 19 LYS CB C 13 34.60 0.297 . 1 . . . . . 19 LYS CB . 26900 1
93 . 1 . 1 19 19 LYS CG C 13 24.78 0.086 . 1 . . . . . 19 LYS CG . 26900 1
94 . 1 . 1 19 19 LYS CE C 13 41.85 0.041 . 1 . . . . . 19 LYS CE . 26900 1
95 . 1 . 1 19 19 LYS N N 15 123.65 0.073 . 1 . . . . . 19 LYS N . 26900 1
96 . 1 . 1 20 20 ASN C C 13 172.09 0.043 . 1 . . . . . 20 ASN C . 26900 1
97 . 1 . 1 20 20 ASN CA C 13 53.87 0.069 . 1 . . . . . 20 ASN CA . 26900 1
98 . 1 . 1 20 20 ASN CB C 13 35.89 0.167 . 1 . . . . . 20 ASN CB . 26900 1
99 . 1 . 1 20 20 ASN CG C 13 178.02 0.062 . 1 . . . . . 20 ASN CG . 26900 1
100 . 1 . 1 20 20 ASN N N 15 122.64 0.062 . 1 . . . . . 20 ASN N . 26900 1
101 . 1 . 1 20 20 ASN ND2 N 15 112.32 0.000 . 1 . . . . . 20 ASN ND2 . 26900 1
102 . 1 . 1 21 21 ALA C C 13 174.82 0.075 . 1 . . . . . 21 ALA C . 26900 1
103 . 1 . 1 21 21 ALA CA C 13 49.51 0.065 . 1 . . . . . 21 ALA CA . 26900 1
104 . 1 . 1 21 21 ALA CB C 13 21.41 0.084 . 1 . . . . . 21 ALA CB . 26900 1
105 . 1 . 1 21 21 ALA N N 15 124.19 0.055 . 1 . . . . . 21 ALA N . 26900 1
106 . 1 . 1 22 22 ILE C C 13 173.46 0.042 . 1 . . . . . 22 ILE C . 26900 1
107 . 1 . 1 22 22 ILE CA C 13 59.29 0.086 . 1 . . . . . 22 ILE CA . 26900 1
108 . 1 . 1 22 22 ILE CB C 13 42.46 0.083 . 1 . . . . . 22 ILE CB . 26900 1
109 . 1 . 1 22 22 ILE CG1 C 13 27.46 0.103 . 1 . . . . . 22 ILE CG1 . 26900 1
110 . 1 . 1 22 22 ILE CG2 C 13 17.08 0.090 . 1 . . . . . 22 ILE CG2 . 26900 1
111 . 1 . 1 22 22 ILE CD1 C 13 13.62 0.078 . 1 . . . . . 22 ILE CD1 . 26900 1
112 . 1 . 1 22 22 ILE N N 15 122.38 0.050 . 1 . . . . . 22 ILE N . 26900 1
113 . 1 . 1 23 23 ILE C C 13 174.03 0.031 . 1 . . . . . 23 ILE C . 26900 1
114 . 1 . 1 23 23 ILE CA C 13 60.54 0.055 . 1 . . . . . 23 ILE CA . 26900 1
115 . 1 . 1 23 23 ILE CB C 13 40.63 0.105 . 1 . . . . . 23 ILE CB . 26900 1
116 . 1 . 1 23 23 ILE CG1 C 13 27.86 0.080 . 1 . . . . . 23 ILE CG1 . 26900 1
117 . 1 . 1 23 23 ILE CG2 C 13 17.95 0.078 . 1 . . . . . 23 ILE CG2 . 26900 1
118 . 1 . 1 23 23 ILE CD1 C 13 14.13 0.050 . 1 . . . . . 23 ILE CD1 . 26900 1
119 . 1 . 1 23 23 ILE N N 15 126.88 0.024 . 1 . . . . . 23 ILE N . 26900 1
120 . 1 . 1 24 24 LYS C C 13 175.00 0.053 . 1 . . . . . 24 LYS C . 26900 1
121 . 1 . 1 24 24 LYS CA C 13 52.86 0.000 . 1 . . . . . 24 LYS CA . 26900 1
122 . 1 . 1 24 24 LYS CB C 13 36.57 0.034 . 1 . . . . . 24 LYS CB . 26900 1
123 . 1 . 1 24 24 LYS CD C 13 29.97 0.256 . 1 . . . . . 24 LYS CD . 26900 1
124 . 1 . 1 24 24 LYS N N 15 124.46 0.000 . 1 . . . . . 24 LYS N . 26900 1
125 . 1 . 1 25 25 ASN C C 13 174.41 0.087 . 1 . . . . . 25 ASN C . 26900 1
126 . 1 . 1 25 25 ASN CA C 13 51.73 0.080 . 1 . . . . . 25 ASN CA . 26900 1
127 . 1 . 1 25 25 ASN CB C 13 34.67 0.100 . 1 . . . . . 25 ASN CB . 26900 1
128 . 1 . 1 25 25 ASN CG C 13 179.35 0.061 . 1 . . . . . 25 ASN CG . 26900 1
129 . 1 . 1 25 25 ASN N N 15 123.27 0.148 . 1 . . . . . 25 ASN N . 26900 1
130 . 1 . 1 25 25 ASN ND2 N 15 111.66 0.000 . 1 . . . . . 25 ASN ND2 . 26900 1
131 . 1 . 1 26 26 ALA C C 13 174.70 0.116 . 1 . . . . . 26 ALA C . 26900 1
132 . 1 . 1 26 26 ALA CA C 13 49.66 0.087 . 1 . . . . . 26 ALA CA . 26900 1
133 . 1 . 1 26 26 ALA CB C 13 24.70 0.079 . 1 . . . . . 26 ALA CB . 26900 1
134 . 1 . 1 26 26 ALA N N 15 116.60 0.127 . 1 . . . . . 26 ALA N . 26900 1
135 . 1 . 1 27 27 TYR C C 13 174.52 0.000 . 1 . . . . . 27 TYR C . 26900 1
136 . 1 . 1 27 27 TYR CA C 13 58.116 0.000 . 1 . . . . . 27 TYR CA . 26900 1
137 . 1 . 1 27 27 TYR CB C 13 34.29 0.264 . 1 . . . . . 27 TYR CB . 26900 1
138 . 1 . 1 27 27 TYR CD1 C 13 134.48 0.047 . 1 . . . . . 27 TYR CD1 . 26900 1
139 . 1 . 1 27 27 TYR CD2 C 13 134.48 0.047 . 1 . . . . . 27 TYR CD2 . 26900 1
140 . 1 . 1 27 27 TYR CZ C 13 156.32 0.192 . 1 . . . . . 27 TYR CZ . 26900 1
141 . 1 . 1 27 27 TYR N N 15 116.65 0.028 . 1 . . . . . 27 TYR N . 26900 1
142 . 1 . 1 28 28 LYS C C 13 175.03 0.001 . 1 . . . . . 28 LYS C . 26900 1
143 . 1 . 1 28 28 LYS CA C 13 53.69 0.001 . 1 . . . . . 28 LYS CA . 26900 1
144 . 1 . 1 28 28 LYS CB C 13 37.18 0.000 . 1 . . . . . 28 LYS CB . 26900 1
145 . 1 . 1 28 28 LYS CG C 13 25.26 0.000 . 1 . . . . . 28 LYS CG . 26900 1
146 . 1 . 1 28 28 LYS CD C 13 29.37 0.000 . 1 . . . . . 28 LYS CD . 26900 1
147 . 1 . 1 28 28 LYS N N 15 115.80 0.145 . 1 . . . . . 28 LYS N . 26900 1
148 . 1 . 1 29 29 LYS C C 13 175.66 0.000 . 1 . . . . . 29 LYS C . 26900 1
149 . 1 . 1 29 29 LYS CE C 13 41.45 0.000 . 1 . . . . . 29 LYS CE . 26900 1
150 . 1 . 1 29 29 LYS N N 15 121.12 0.000 . 1 . . . . . 29 LYS N . 26900 1
stop_
save_