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 26928
_Assigned_chem_shift_list.ID 1
_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 0.1
_Assigned_chem_shift_list.Chem_shift_13C_err 0.2
_Assigned_chem_shift_list.Chem_shift_15N_err 0.2
_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' . . . 26928 1
2 '3D HNCACB' . . . 26928 1
4 '3D HNCA' . . . 26928 1
6 '3D HNCO' . . . 26928 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 $NMRPipe . . 26928 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 29 29 TYR C C 13 175.472 0.300 . 1 . . . . 52 TYR C . 26928 1
2 . 1 1 29 29 TYR CA C 13 57.690 0.300 . 1 . . . . 52 TYR CA . 26928 1
3 . 1 1 29 29 TYR CB C 13 37.608 0.300 . 1 . . . . 52 TYR CB . 26928 1
4 . 1 1 30 30 ILE H H 1 7.814 0.020 . 1 . . . . 53 ILE H . 26928 1
5 . 1 1 30 30 ILE C C 13 175.626 0.300 . 1 . . . . 53 ILE C . 26928 1
6 . 1 1 30 30 ILE CA C 13 60.301 0.300 . 1 . . . . 53 ILE CA . 26928 1
7 . 1 1 30 30 ILE CB C 13 37.857 0.300 . 1 . . . . 53 ILE CB . 26928 1
8 . 1 1 30 30 ILE N N 15 123.418 0.300 . 1 . . . . 53 ILE N . 26928 1
9 . 1 1 31 31 GLU H H 1 8.388 0.020 . 1 . . . . 54 GLU H . 26928 1
10 . 1 1 31 31 GLU CA C 13 56.229 0.300 . 1 . . . . 54 GLU CA . 26928 1
11 . 1 1 31 31 GLU CB C 13 29.218 0.300 . 1 . . . . 54 GLU CB . 26928 1
12 . 1 1 31 31 GLU N N 15 124.842 0.300 . 1 . . . . 54 GLU N . 26928 1
13 . 1 1 33 33 ALA C C 13 178.280 0.300 . 1 . . . . 56 ALA C . 26928 1
14 . 1 1 33 33 ALA CA C 13 52.425 0.300 . 1 . . . . 56 ALA CA . 26928 1
15 . 1 1 33 33 ALA CB C 13 18.276 0.300 . 1 . . . . 56 ALA CB . 26928 1
16 . 1 1 34 34 GLY H H 1 8.381 0.020 . 1 . . . . 57 GLY H . 26928 1
17 . 1 1 34 34 GLY C C 13 174.145 0.300 . 1 . . . . 57 GLY C . 26928 1
18 . 1 1 34 34 GLY CA C 13 44.813 0.300 . 1 . . . . 57 GLY CA . 26928 1
19 . 1 1 34 34 GLY N N 15 107.947 0.300 . 1 . . . . 57 GLY N . 26928 1
20 . 1 1 35 35 ASP H H 1 7.986 0.020 . 1 . . . . 58 ASP H . 26928 1
21 . 1 1 35 35 ASP C C 13 177.299 0.300 . 1 . . . . 58 ASP C . 26928 1
22 . 1 1 35 35 ASP CA C 13 54.773 0.300 . 1 . . . . 58 ASP CA . 26928 1
23 . 1 1 35 35 ASP CB C 13 41.196 0.300 . 1 . . . . 58 ASP CB . 26928 1
24 . 1 1 35 35 ASP N N 15 121.098 0.300 . 1 . . . . 58 ASP N . 26928 1
25 . 1 1 36 36 ILE H H 1 8.099 0.020 . 1 . . . . 59 ILE H . 26928 1
26 . 1 1 36 36 ILE C C 13 176.459 0.300 . 1 . . . . 59 ILE C . 26928 1
27 . 1 1 36 36 ILE CA C 13 60.862 0.300 . 1 . . . . 59 ILE CA . 26928 1
28 . 1 1 36 36 ILE CB C 13 37.533 0.300 . 1 . . . . 59 ILE CB . 26928 1
29 . 1 1 36 36 ILE N N 15 120.777 0.300 . 1 . . . . 59 ILE N . 26928 1
30 . 1 1 37 37 THR H H 1 8.150 0.020 . 1 . . . . 60 THR H . 26928 1
31 . 1 1 37 37 THR C C 13 174.132 0.300 . 1 . . . . 60 THR C . 26928 1
32 . 1 1 37 37 THR CA C 13 61.490 0.300 . 1 . . . . 60 THR CA . 26928 1
33 . 1 1 37 37 THR CB C 13 69.207 0.300 . 1 . . . . 60 THR CB . 26928 1
34 . 1 1 37 37 THR N N 15 117.681 0.300 . 1 . . . . 60 THR N . 26928 1
35 . 1 1 38 38 TRP H H 1 8.063 0.020 . 1 . . . . 61 TRP H . 26928 1
36 . 1 1 38 38 TRP C C 13 175.992 0.300 . 1 . . . . 61 TRP C . 26928 1
37 . 1 1 38 38 TRP CA C 13 56.852 0.300 . 1 . . . . 61 TRP CA . 26928 1
38 . 1 1 38 38 TRP CB C 13 29.285 0.300 . 1 . . . . 61 TRP CB . 26928 1
39 . 1 1 38 38 TRP N N 15 123.307 0.300 . 1 . . . . 61 TRP N . 26928 1
40 . 1 1 39 39 GLU H H 1 8.228 0.020 . 1 . . . . 62 GLU H . 26928 1
41 . 1 1 39 39 GLU C C 13 176.215 0.300 . 1 . . . . 62 GLU C . 26928 1
42 . 1 1 39 39 GLU CA C 13 56.057 0.300 . 1 . . . . 62 GLU CA . 26928 1
43 . 1 1 39 39 GLU CB C 13 29.372 0.300 . 1 . . . . 62 GLU CB . 26928 1
44 . 1 1 39 39 GLU N N 15 122.582 0.300 . 1 . . . . 62 GLU N . 26928 1
45 . 1 1 40 40 LYS H H 1 8.131 0.020 . 1 . . . . 63 LYS H . 26928 1
46 . 1 1 40 40 LYS C C 13 176.484 0.300 . 1 . . . . 63 LYS C . 26928 1
47 . 1 1 40 40 LYS CA C 13 56.145 0.300 . 1 . . . . 63 LYS CA . 26928 1
48 . 1 1 40 40 LYS CB C 13 32.249 0.300 . 1 . . . . 63 LYS CB . 26928 1
49 . 1 1 40 40 LYS N N 15 121.891 0.300 . 1 . . . . 63 LYS N . 26928 1
50 . 1 1 41 41 ASP H H 1 8.352 0.020 . 1 . . . . 64 ASP H . 26928 1
51 . 1 1 41 41 ASP C C 13 176.075 0.300 . 1 . . . . 64 ASP C . 26928 1
52 . 1 1 41 41 ASP CA C 13 54.193 0.300 . 1 . . . . 64 ASP CA . 26928 1
53 . 1 1 41 41 ASP CB C 13 40.450 0.300 . 1 . . . . 64 ASP CB . 26928 1
54 . 1 1 41 41 ASP N N 15 120.971 0.300 . 1 . . . . 64 ASP N . 26928 1
55 . 1 1 42 42 ALA H H 1 8.127 0.020 . 1 . . . . 65 ALA H . 26928 1
56 . 1 1 42 42 ALA C C 13 177.846 0.300 . 1 . . . . 65 ALA C . 26928 1
57 . 1 1 42 42 ALA CA C 13 52.138 0.300 . 1 . . . . 65 ALA CA . 26928 1
58 . 1 1 42 42 ALA CB C 13 18.501 0.300 . 1 . . . . 65 ALA CB . 26928 1
59 . 1 1 42 42 ALA N N 15 123.562 0.300 . 1 . . . . 65 ALA N . 26928 1
60 . 1 1 43 43 GLU H H 1 8.349 0.020 . 1 . . . . 66 GLU H . 26928 1
61 . 1 1 43 43 GLU C C 13 176.736 0.300 . 1 . . . . 66 GLU C . 26928 1
62 . 1 1 43 43 GLU CA C 13 56.176 0.300 . 1 . . . . 66 GLU CA . 26928 1
63 . 1 1 43 43 GLU CB C 13 29.318 0.300 . 1 . . . . 66 GLU CB . 26928 1
64 . 1 1 43 43 GLU N N 15 119.794 0.300 . 1 . . . . 66 GLU N . 26928 1
65 . 1 1 44 44 VAL H H 1 8.176 0.020 . 1 . . . . 67 VAL H . 26928 1
66 . 1 1 44 44 VAL C C 13 176.618 0.300 . 1 . . . . 67 VAL C . 26928 1
67 . 1 1 44 44 VAL CA C 13 62.047 0.300 . 1 . . . . 67 VAL CA . 26928 1
68 . 1 1 44 44 VAL CB C 13 32.184 0.300 . 1 . . . . 67 VAL CB . 26928 1
69 . 1 1 44 44 VAL N N 15 121.110 0.300 . 1 . . . . 67 VAL N . 26928 1
70 . 1 1 45 45 THR H H 1 8.239 0.020 . 1 . . . . 68 THR H . 26928 1
71 . 1 1 45 45 THR C C 13 175.272 0.300 . 1 . . . . 68 THR C . 26928 1
72 . 1 1 45 45 THR CA C 13 61.703 0.300 . 1 . . . . 68 THR CA . 26928 1
73 . 1 1 45 45 THR CB C 13 69.285 0.300 . 1 . . . . 68 THR CB . 26928 1
74 . 1 1 45 45 THR N N 15 117.191 0.300 . 1 . . . . 68 THR N . 26928 1
75 . 1 1 46 46 GLY H H 1 8.365 0.020 . 1 . . . . 69 GLY H . 26928 1
76 . 1 1 46 46 GLY CA C 13 44.849 0.300 . 1 . . . . 69 GLY CA . 26928 1
77 . 1 1 46 46 GLY N N 15 110.637 0.300 . 1 . . . . 69 GLY N . 26928 1
78 . 1 1 50 50 ARG CA C 13 55.437 0.300 . 1 . . . . 73 ARG CA . 26928 1
79 . 1 1 50 50 ARG CB C 13 29.669 0.300 . 1 . . . . 73 ARG CB . 26928 1
80 . 1 1 51 51 LEU H H 1 8.379 0.020 . 1 . . . . 74 LEU H . 26928 1
81 . 1 1 51 51 LEU CA C 13 54.507 0.300 . 1 . . . . 74 LEU CA . 26928 1
82 . 1 1 51 51 LEU CB C 13 41.538 0.300 . 1 . . . . 74 LEU CB . 26928 1
83 . 1 1 51 51 LEU N N 15 123.797 0.300 . 1 . . . . 74 LEU N . 26928 1
84 . 1 1 52 52 ASP H H 1 8.438 0.020 . 1 . . . . 75 ASP H . 26928 1
85 . 1 1 52 52 ASP C C 13 175.892 0.300 . 1 . . . . 75 ASP C . 26928 1
86 . 1 1 52 52 ASP CA C 13 53.780 0.300 . 1 . . . . 75 ASP CA . 26928 1
87 . 1 1 52 52 ASP CB C 13 40.260 0.300 . 1 . . . . 75 ASP CB . 26928 1
88 . 1 1 52 52 ASP N N 15 121.132 0.300 . 1 . . . . 75 ASP N . 26928 1
89 . 1 1 53 53 VAL H H 1 7.901 0.020 . 1 . . . . 76 VAL H . 26928 1
90 . 1 1 53 53 VAL C C 13 175.572 0.300 . 1 . . . . 76 VAL C . 26928 1
91 . 1 1 53 53 VAL CA C 13 61.405 0.300 . 1 . . . . 76 VAL CA . 26928 1
92 . 1 1 53 53 VAL CB C 13 32.380 0.300 . 1 . . . . 76 VAL CB . 26928 1
93 . 1 1 53 53 VAL N N 15 119.258 0.300 . 1 . . . . 76 VAL N . 26928 1
94 . 1 1 54 54 ALA H H 1 8.378 0.020 . 1 . . . . 77 ALA H . 26928 1
95 . 1 1 54 54 ALA C C 13 177.584 0.300 . 1 . . . . 77 ALA C . 26928 1
96 . 1 1 54 54 ALA CA C 13 51.793 0.300 . 1 . . . . 77 ALA CA . 26928 1
97 . 1 1 54 54 ALA CB C 13 18.384 0.300 . 1 . . . . 77 ALA CB . 26928 1
98 . 1 1 54 54 ALA N N 15 127.355 0.300 . 1 . . . . 77 ALA N . 26928 1
99 . 1 1 55 55 LEU H H 1 8.236 0.020 . 1 . . . . 78 LEU H . 26928 1
100 . 1 1 55 55 LEU C C 13 176.901 0.300 . 1 . . . . 78 LEU C . 26928 1
101 . 1 1 55 55 LEU CA C 13 54.660 0.300 . 1 . . . . 78 LEU CA . 26928 1
102 . 1 1 55 55 LEU CB C 13 41.590 0.300 . 1 . . . . 78 LEU CB . 26928 1
103 . 1 1 55 55 LEU N N 15 121.764 0.300 . 1 . . . . 78 LEU N . 26928 1
104 . 1 1 56 56 ASP H H 1 8.335 0.020 . 1 . . . . 79 ASP H . 26928 1
105 . 1 1 56 56 ASP C C 13 176.523 0.300 . 1 . . . . 79 ASP C . 26928 1
106 . 1 1 56 56 ASP CA C 13 53.776 0.300 . 1 . . . . 79 ASP CA . 26928 1
107 . 1 1 56 56 ASP CB C 13 40.547 0.300 . 1 . . . . 79 ASP CB . 26928 1
108 . 1 1 56 56 ASP N N 15 120.808 0.300 . 1 . . . . 79 ASP N . 26928 1
109 . 1 1 57 57 GLU C C 13 176.793 0.300 . 1 . . . . 80 GLU C . 26928 1
110 . 1 1 57 57 GLU CA C 13 56.212 0.300 . 1 . . . . 80 GLU CA . 26928 1
111 . 1 1 57 57 GLU CB C 13 29.011 0.300 . 1 . . . . 80 GLU CB . 26928 1
112 . 1 1 58 58 SER H H 1 8.414 0.020 . 1 . . . . 81 SER H . 26928 1
113 . 1 1 58 58 SER C C 13 175.196 0.300 . 1 . . . . 81 SER C . 26928 1
114 . 1 1 58 58 SER CA C 13 58.694 0.300 . 1 . . . . 81 SER CA . 26928 1
115 . 1 1 58 58 SER CB C 13 63.543 0.300 . 1 . . . . 81 SER CB . 26928 1
116 . 1 1 58 58 SER N N 15 116.431 0.300 . 1 . . . . 81 SER N . 26928 1
117 . 1 1 59 59 GLY H H 1 8.312 0.020 . 1 . . . . 82 GLY H . 26928 1
118 . 1 1 59 59 GLY C C 13 173.601 0.300 . 1 . . . . 82 GLY C . 26928 1
119 . 1 1 59 59 GLY CA C 13 44.852 0.300 . 1 . . . . 82 GLY CA . 26928 1
120 . 1 1 59 59 GLY N N 15 110.409 0.300 . 1 . . . . 82 GLY N . 26928 1
121 . 1 1 60 60 ASP H H 1 8.140 0.020 . 1 . . . . 83 ASP H . 26928 1
122 . 1 1 60 60 ASP C C 13 176.051 0.300 . 1 . . . . 83 ASP C . 26928 1
123 . 1 1 60 60 ASP CA C 13 53.780 0.300 . 1 . . . . 83 ASP CA . 26928 1
124 . 1 1 60 60 ASP CB C 13 40.526 0.300 . 1 . . . . 83 ASP CB . 26928 1
125 . 1 1 60 60 ASP N N 15 120.210 0.300 . 1 . . . . 83 ASP N . 26928 1
126 . 1 1 61 61 PHE H H 1 8.217 0.020 . 1 . . . . 84 PHE H . 26928 1
127 . 1 1 61 61 PHE C C 13 175.771 0.300 . 1 . . . . 84 PHE C . 26928 1
128 . 1 1 61 61 PHE CA C 13 57.278 0.300 . 1 . . . . 84 PHE CA . 26928 1
129 . 1 1 61 61 PHE CB C 13 38.501 0.300 . 1 . . . . 84 PHE CB . 26928 1
130 . 1 1 61 61 PHE N N 15 120.883 0.300 . 1 . . . . 84 PHE N . 26928 1
131 . 1 1 62 62 SER H H 1 8.231 0.020 . 1 . . . . 85 SER H . 26928 1
132 . 1 1 62 62 SER C C 13 174.104 0.300 . 1 . . . . 85 SER C . 26928 1
133 . 1 1 62 62 SER CA C 13 58.088 0.300 . 1 . . . . 85 SER CA . 26928 1
134 . 1 1 62 62 SER CB C 13 63.496 0.300 . 1 . . . . 85 SER CB . 26928 1
135 . 1 1 62 62 SER N N 15 117.356 0.300 . 1 . . . . 85 SER N . 26928 1
136 . 1 1 63 63 LEU H H 1 8.217 0.020 . 1 . . . . 86 LEU H . 26928 1
137 . 1 1 63 63 LEU C C 13 177.114 0.300 . 1 . . . . 86 LEU C . 26928 1
138 . 1 1 63 63 LEU CA C 13 54.687 0.300 . 1 . . . . 86 LEU CA . 26928 1
139 . 1 1 63 63 LEU CB C 13 41.323 0.300 . 1 . . . . 86 LEU CB . 26928 1
140 . 1 1 63 63 LEU N N 15 124.117 0.300 . 1 . . . . 86 LEU N . 26928 1
141 . 1 1 64 64 VAL H H 1 8.096 0.020 . 1 . . . . 87 VAL H . 26928 1
142 . 1 1 64 64 VAL C C 13 176.035 0.300 . 1 . . . . 87 VAL C . 26928 1
143 . 1 1 64 64 VAL CA C 13 61.777 0.300 . 1 . . . . 87 VAL CA . 26928 1
144 . 1 1 64 64 VAL CB C 13 32.218 0.300 . 1 . . . . 87 VAL CB . 26928 1
145 . 1 1 64 64 VAL N N 15 121.399 0.300 . 1 . . . . 87 VAL N . 26928 1
146 . 1 1 65 65 GLU H H 1 8.511 0.020 . 1 . . . . 88 GLU H . 26928 1
147 . 1 1 65 65 GLU C C 13 176.259 0.300 . 1 . . . . 88 GLU C . 26928 1
148 . 1 1 65 65 GLU CA C 13 55.893 0.300 . 1 . . . . 88 GLU CA . 26928 1
149 . 1 1 65 65 GLU CB C 13 29.526 0.300 . 1 . . . . 88 GLU CB . 26928 1
150 . 1 1 65 65 GLU N N 15 125.201 0.300 . 1 . . . . 88 GLU N . 26928 1
stop_
save_