Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 52099
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name M2
_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 $chem_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 '3D (H)NCACB' . . . 52099 1
2 '3D (H)NCACO' . . . 52099 1
3 '3D (H)NCOCA' . . . 52099 1
4 '3D (H)CANCO' . . . 52099 1
5 '2D (H)NCACX' . . . 52099 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 $software_1 . . 52099 1
2 $software_2 . . 52099 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 11 11 VAL C C 13 178.03 0.19 . 1 . . . . . 28 VAL C . 52099 1
2 . 1 . 1 12 12 ALA C C 13 178.47 0.13 . 1 . . . . . 29 ALA C . 52099 1
3 . 1 . 1 12 12 ALA CA C 13 55.36 0.11 . 1 . . . . . 29 ALA CA . 52099 1
4 . 1 . 1 12 12 ALA CB C 13 18.22 0.05 . 1 . . . . . 29 ALA CB . 52099 1
5 . 1 . 1 12 12 ALA N N 15 119.93 0.04 . 1 . . . . . 29 ALA N . 52099 1
6 . 1 . 1 13 13 ALA C C 13 178.47 0.03 . 1 . . . . . 30 ALA C . 52099 1
7 . 1 . 1 13 13 ALA CA C 13 54.89 0.22 . 1 . . . . . 30 ALA CA . 52099 1
8 . 1 . 1 13 13 ALA CB C 13 18.06 0.18 . 1 . . . . . 30 ALA CB . 52099 1
9 . 1 . 1 13 13 ALA N N 15 117.63 0.10 . 1 . . . . . 30 ALA N . 52099 1
10 . 1 . 1 14 14 SER C C 13 175.20 0.06 . 1 . . . . . 31 SER C . 52099 1
11 . 1 . 1 14 14 SER CA C 13 62.31 0.14 . 1 . . . . . 31 SER CA . 52099 1
12 . 1 . 1 14 14 SER CB C 13 65.38 0.10 . 1 . . . . . 31 SER CB . 52099 1
13 . 1 . 1 14 14 SER N N 15 112.54 0.06 . 1 . . . . . 31 SER N . 52099 1
14 . 1 . 1 15 15 ILE C C 13 177.05 0.13 . 1 . . . . . 32 ILE C . 52099 1
15 . 1 . 1 15 15 ILE CA C 13 63.25 0.18 . 1 . . . . . 32 ILE CA . 52099 1
16 . 1 . 1 15 15 ILE CB C 13 37.03 0.10 . 1 . . . . . 32 ILE CB . 52099 1
17 . 1 . 1 15 15 ILE N N 15 120.26 0.22 . 1 . . . . . 32 ILE N . 52099 1
18 . 1 . 1 16 16 ILE C C 13 176.99 0.08 . 1 . . . . . 33 ILE C . 52099 1
19 . 1 . 1 16 16 ILE CA C 13 65.30 0.06 . 1 . . . . . 33 ILE CA . 52099 1
20 . 1 . 1 16 16 ILE CB C 13 37.00 0.14 . 1 . . . . . 33 ILE CB . 52099 1
21 . 1 . 1 16 16 ILE N N 15 118.76 0.16 . 1 . . . . . 33 ILE N . 52099 1
22 . 1 . 1 17 17 GLY C C 13 175.11 0.02 . 1 . . . . . 34 GLY C . 52099 1
23 . 1 . 1 17 17 GLY CA C 13 48.07 0.04 . 1 . . . . . 34 GLY CA . 52099 1
24 . 1 . 1 17 17 GLY N N 15 105.33 0.22 . 1 . . . . . 34 GLY N . 52099 1
25 . 1 . 1 18 18 ILE C C 13 176.85 0.06 . 1 . . . . . 35 ILE C . 52099 1
26 . 1 . 1 18 18 ILE CA C 13 65.14 0.10 . 1 . . . . . 35 ILE CA . 52099 1
27 . 1 . 1 18 18 ILE CB C 13 37.24 0.01 . 1 . . . . . 35 ILE CB . 52099 1
28 . 1 . 1 18 18 ILE N N 15 119.79 0.07 . 1 . . . . . 35 ILE N . 52099 1
29 . 1 . 1 19 19 LEU C C 13 177.66 0.04 . 1 . . . . . 36 LEU C . 52099 1
30 . 1 . 1 19 19 LEU CA C 13 57.99 0.11 . 1 . . . . . 36 LEU CA . 52099 1
31 . 1 . 1 19 19 LEU CB C 13 41.46 0.03 . 1 . . . . . 36 LEU CB . 52099 1
32 . 1 . 1 19 19 LEU N N 15 119.43 0.10 . 1 . . . . . 36 LEU N . 52099 1
33 . 1 . 1 20 20 HIS C C 13 175.16 0.07 . 1 . . . . . 37 HIS C . 52099 1
34 . 1 . 1 20 20 HIS CA C 13 59.12 0.07 . 1 . . . . . 37 HIS CA . 52099 1
35 . 1 . 1 20 20 HIS CB C 13 30.25 0.06 . 1 . . . . . 37 HIS CB . 52099 1
36 . 1 . 1 20 20 HIS N N 15 116.59 0.08 . 1 . . . . . 37 HIS N . 52099 1
37 . 1 . 1 21 21 LEU C C 13 177.52 0.03 . 1 . . . . . 38 LEU C . 52099 1
38 . 1 . 1 21 21 LEU CA C 13 58.61 0.18 . 1 . . . . . 38 LEU CA . 52099 1
39 . 1 . 1 21 21 LEU CB C 13 42.05 0.03 . 1 . . . . . 38 LEU CB . 52099 1
40 . 1 . 1 21 21 LEU N N 15 117.40 0.13 . 1 . . . . . 38 LEU N . 52099 1
41 . 1 . 1 22 22 ILE C C 13 177.14 0.04 . 1 . . . . . 39 ILE C . 52099 1
42 . 1 . 1 22 22 ILE CA C 13 64.86 0.18 . 1 . . . . . 39 ILE CA . 52099 1
43 . 1 . 1 22 22 ILE CB C 13 37.44 0.11 . 1 . . . . . 39 ILE CB . 52099 1
44 . 1 . 1 22 22 ILE N N 15 114.28 0.15 . 1 . . . . . 39 ILE N . 52099 1
45 . 1 . 1 23 23 LEU C C 13 178.69 0.08 . 1 . . . . . 40 LEU C . 52099 1
46 . 1 . 1 23 23 LEU CA C 13 58.28 0.09 . 1 . . . . . 40 LEU CA . 52099 1
47 . 1 . 1 23 23 LEU CB C 13 40.75 0.01 . 1 . . . . . 40 LEU CB . 52099 1
48 . 1 . 1 23 23 LEU N N 15 121.62 0.17 . 1 . . . . . 40 LEU N . 52099 1
49 . 1 . 1 24 24 TRP C C 13 178.27 0.06 . 1 . . . . . 41 TRP C . 52099 1
50 . 1 . 1 24 24 TRP CA C 13 61.11 0.13 . 1 . . . . . 41 TRP CA . 52099 1
51 . 1 . 1 24 24 TRP CB C 13 27.50 0.06 . 1 . . . . . 41 TRP CB . 52099 1
52 . 1 . 1 24 24 TRP N N 15 120.76 0.07 . 1 . . . . . 41 TRP N . 52099 1
53 . 1 . 1 25 25 ILE C C 13 177.85 0.08 . 1 . . . . . 42 ILE C . 52099 1
54 . 1 . 1 25 25 ILE CA C 13 66.23 0.17 . 1 . . . . . 42 ILE CA . 52099 1
55 . 1 . 1 25 25 ILE CB C 13 37.12 0.06 . 1 . . . . . 42 ILE CB . 52099 1
56 . 1 . 1 25 25 ILE N N 15 117.39 0.10 . 1 . . . . . 42 ILE N . 52099 1
57 . 1 . 1 26 26 LEU C C 13 179.68 0.08 . 1 . . . . . 43 LEU C . 52099 1
58 . 1 . 1 26 26 LEU CA C 13 57.70 0.14 . 1 . . . . . 43 LEU CA . 52099 1
59 . 1 . 1 26 26 LEU CB C 13 41.49 0.09 . 1 . . . . . 43 LEU CB . 52099 1
60 . 1 . 1 26 26 LEU N N 15 117.27 0.12 . 1 . . . . . 43 LEU N . 52099 1
61 . 1 . 1 27 27 ASP C C 13 178.35 0.10 . 1 . . . . . 44 ASP C . 52099 1
62 . 1 . 1 27 27 ASP CA C 13 57.57 0.08 . 1 . . . . . 44 ASP CA . 52099 1
63 . 1 . 1 27 27 ASP CB C 13 42.13 0.07 . 1 . . . . . 44 ASP CB . 52099 1
64 . 1 . 1 27 27 ASP N N 15 120.56 0.07 . 1 . . . . . 44 ASP N . 52099 1
65 . 1 . 1 28 28 ARG C C 13 178.50 0.01 . 1 . . . . . 45 ARG C . 52099 1
66 . 1 . 1 28 28 ARG CA C 13 56.67 0.11 . 1 . . . . . 45 ARG CA . 52099 1
67 . 1 . 1 28 28 ARG CB C 13 29.76 0.05 . 1 . . . . . 45 ARG CB . 52099 1
68 . 1 . 1 28 28 ARG N N 15 116.56 0.10 . 1 . . . . . 45 ARG N . 52099 1
69 . 1 . 1 29 29 LEU C C 13 177.45 0.04 . 1 . . . . . 46 LEU C . 52099 1
70 . 1 . 1 29 29 LEU CA C 13 56.03 0.12 . 1 . . . . . 46 LEU CA . 52099 1
71 . 1 . 1 29 29 LEU CB C 13 41.77 0.10 . 1 . . . . . 46 LEU CB . 52099 1
72 . 1 . 1 29 29 LEU N N 15 113.39 0.20 . 1 . . . . . 46 LEU N . 52099 1
73 . 1 . 1 30 30 PHE C C 13 175.61 0.22 . 1 . . . . . 47 PHE C . 52099 1
74 . 1 . 1 30 30 PHE CA C 13 58.48 0.10 . 1 . . . . . 47 PHE CA . 52099 1
75 . 1 . 1 30 30 PHE N N 15 112.53 0.06 . 1 . . . . . 47 PHE N . 52099 1
76 . 1 . 1 31 31 PHE C C 13 175.93 0.20 . 1 . . . . . 48 PHE C . 52099 1
77 . 1 . 1 31 31 PHE CA C 13 62.24 0.11 . 1 . . . . . 48 PHE CA . 52099 1
78 . 1 . 1 31 31 PHE CB C 13 31.26 0.29 . 1 . . . . . 48 PHE CB . 52099 1
79 . 1 . 1 31 31 PHE N N 15 117.26 0.11 . 1 . . . . . 48 PHE N . 52099 1
80 . 1 . 1 32 32 LYS C C 13 175.59 0.07 . 1 . . . . . 49 LYS C . 52099 1
81 . 1 . 1 32 32 LYS CA C 13 56.83 0.13 . 1 . . . . . 49 LYS CA . 52099 1
82 . 1 . 1 32 32 LYS CB C 13 30.04 0.03 . 1 . . . . . 49 LYS CB . 52099 1
83 . 1 . 1 32 32 LYS N N 15 120.46 0.06 . 1 . . . . . 49 LYS N . 52099 1
84 . 1 . 1 33 33 SER C C 13 174.76 0.08 . 1 . . . . . 50 SER C . 52099 1
85 . 1 . 1 33 33 SER CA C 13 60.10 0.25 . 1 . . . . . 50 SER CA . 52099 1
86 . 1 . 1 33 33 SER CB C 13 66.08 0.10 . 1 . . . . . 50 SER CB . 52099 1
87 . 1 . 1 33 33 SER N N 15 111.19 0.07 . 1 . . . . . 50 SER N . 52099 1
88 . 1 . 1 34 34 ILE C C 13 176.44 0.16 . 1 . . . . . 51 ILE C . 52099 1
89 . 1 . 1 34 34 ILE CA C 13 65.60 0.23 . 1 . . . . . 51 ILE CA . 52099 1
90 . 1 . 1 34 34 ILE CB C 13 37.89 0.11 . 1 . . . . . 51 ILE CB . 52099 1
91 . 1 . 1 34 34 ILE N N 15 126.67 0.11 . 1 . . . . . 51 ILE N . 52099 1
92 . 1 . 1 35 35 TYR C C 13 178.94 0.03 . 1 . . . . . 52 TYR C . 52099 1
93 . 1 . 1 35 35 TYR CA C 13 62.61 0.01 . 1 . . . . . 52 TYR CA . 52099 1
94 . 1 . 1 35 35 TYR N N 15 117.31 0.06 . 1 . . . . . 52 TYR N . 52099 1
95 . 2 . 1 7 7 ASP CA C 13 51.92 0.03 . 1 . . . . . 24 ASP CA . 52099 1
96 . 2 . 1 7 7 ASP CB C 13 43.18 0.03 . 1 . . . . . 24 ASP CB . 52099 1
97 . 2 . 1 7 7 ASP N N 15 125.56 0.13 . 1 . . . . . 24 ASP N . 52099 1
98 . 2 . 1 8 8 PRO C C 13 177.29 0.03 . 1 . . . . . 25 PRO C . 52099 1
99 . 2 . 1 9 9 LEU C C 13 178.32 0.20 . 1 . . . . . 26 LEU C . 52099 1
100 . 2 . 1 9 9 LEU CA C 13 57.15 0.13 . 1 . . . . . 26 LEU CA . 52099 1
101 . 2 . 1 9 9 LEU CB C 13 39.74 0.15 . 1 . . . . . 26 LEU CB . 52099 1
102 . 2 . 1 9 9 LEU N N 15 118.60 0.06 . 1 . . . . . 26 LEU N . 52099 1
103 . 2 . 1 10 10 VAL C C 13 178.93 0.05 . 1 . . . . . 27 VAL C . 52099 1
104 . 2 . 1 10 10 VAL CA C 13 66.91 0.14 . 1 . . . . . 27 VAL CA . 52099 1
105 . 2 . 1 10 10 VAL CB C 13 31.20 0.05 . 1 . . . . . 27 VAL CB . 52099 1
106 . 2 . 1 10 10 VAL N N 15 120.44 0.07 . 1 . . . . . 27 VAL N . 52099 1
107 . 2 . 1 11 11 VAL C C 13 178.01 0.09 . 1 . . . . . 28 VAL C . 52099 1
108 . 2 . 1 11 11 VAL CA C 13 66.71 0.14 . 1 . . . . . 28 VAL CA . 52099 1
109 . 2 . 1 11 11 VAL CB C 13 31.16 0.03 . 1 . . . . . 28 VAL CB . 52099 1
110 . 2 . 1 11 11 VAL N N 15 119.66 0.06 . 1 . . . . . 28 VAL N . 52099 1
111 . 2 . 1 12 12 ALA C C 13 178.43 0.14 . 1 . . . . . 29 ALA C . 52099 1
112 . 2 . 1 12 12 ALA CA C 13 55.56 0.17 . 1 . . . . . 29 ALA CA . 52099 1
113 . 2 . 1 12 12 ALA CB C 13 18.32 0.03 . 1 . . . . . 29 ALA CB . 52099 1
114 . 2 . 1 12 12 ALA N N 15 121.21 0.11 . 1 . . . . . 29 ALA N . 52099 1
115 . 2 . 1 13 13 ALA C C 13 178.33 0.08 . 1 . . . . . 30 ALA C . 52099 1
116 . 2 . 1 13 13 ALA CA C 13 54.66 0.19 . 1 . . . . . 30 ALA CA . 52099 1
117 . 2 . 1 13 13 ALA CB C 13 18.20 0.03 . 1 . . . . . 30 ALA CB . 52099 1
118 . 2 . 1 13 13 ALA N N 15 118.16 0.12 . 1 . . . . . 30 ALA N . 52099 1
119 . 2 . 1 14 14 SER C C 13 175.38 0.07 . 1 . . . . . 31 SER C . 52099 1
120 . 2 . 1 14 14 SER CA C 13 62.52 0.27 . 1 . . . . . 31 SER CA . 52099 1
121 . 2 . 1 14 14 SER CB C 13 65.54 0.10 . 1 . . . . . 31 SER CB . 52099 1
122 . 2 . 1 14 14 SER N N 15 112.89 0.18 . 1 . . . . . 31 SER N . 52099 1
123 . 2 . 1 15 15 ILE C C 13 177.42 0.13 . 1 . . . . . 32 ILE C . 52099 1
124 . 2 . 1 15 15 ILE CA C 13 65.40 0.10 . 1 . . . . . 32 ILE CA . 52099 1
125 . 2 . 1 15 15 ILE CB C 13 37.56 0.03 . 1 . . . . . 32 ILE CB . 52099 1
126 . 2 . 1 15 15 ILE N N 15 119.99 0.26 . 1 . . . . . 32 ILE N . 52099 1
127 . 2 . 1 16 16 ILE C C 13 177.35 0.13 . 1 . . . . . 33 ILE C . 52099 1
128 . 2 . 1 16 16 ILE CA C 13 65.87 0.13 . 1 . . . . . 33 ILE CA . 52099 1
129 . 2 . 1 16 16 ILE CB C 13 36.73 0.06 . 1 . . . . . 33 ILE CB . 52099 1
130 . 2 . 1 16 16 ILE N N 15 114.51 0.14 . 1 . . . . . 33 ILE N . 52099 1
131 . 2 . 1 17 17 GLY CA C 13 47.52 0.03 . 1 . . . . . 34 GLY CA . 52099 1
132 . 2 . 1 17 17 GLY N N 15 106.63 0.15 . 1 . . . . . 34 GLY N . 52099 1
stop_
save_