Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 50560
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name '2D 1H-15N HSQC'
_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
;
These were adapted from previous Burkart work in BMRB entry 27874.
Which was itself assigned based on original work in BMRB entry 3.
;
_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
3 '2D Peak list of assignments' . . . 50560 2
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
3 $software_3 . . 50560 2
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 25 25 ILE H H 1 8.623 . . . . . . . . 3 I H . 50560 2
2 . 1 . 1 25 25 ILE N N 15 121.223 . . . . . . . . 3 I N . 50560 2
3 . 1 . 1 26 26 GLU H H 1 8.595 . . . . . . . . 4 E H . 50560 2
4 . 1 . 1 26 26 GLU N N 15 118.341 . . . . . . . . 4 E N . 50560 2
5 . 1 . 1 27 27 GLU H H 1 7.841 . . . . . . . . 5 E H . 50560 2
6 . 1 . 1 27 27 GLU N N 15 117.131 . . . . . . . . 5 E N . 50560 2
7 . 1 . 1 28 28 ARG H H 1 8.341 . . . . . . . . 6 R H . 50560 2
8 . 1 . 1 28 28 ARG N N 15 119.689 . . . . . . . . 6 R N . 50560 2
9 . 1 . 1 29 29 VAL H H 1 8.899 . . . . . . . . 7 V H . 50560 2
10 . 1 . 1 29 29 VAL N N 15 118.859 . . . . . . . . 7 V N . 50560 2
11 . 1 . 1 30 30 LYS H H 1 8.243 . . . . . . . . 8 K H . 50560 2
12 . 1 . 1 30 30 LYS N N 15 116.873 . . . . . . . . 8 K N . 50560 2
13 . 1 . 1 31 31 LYS H H 1 8.232 . . . . . . . . 9 K H . 50560 2
14 . 1 . 1 31 31 LYS N N 15 120.233 . . . . . . . . 9 K N . 50560 2
15 . 1 . 1 32 32 ILE H H 1 7.636 . . . . . . . . 10 I H . 50560 2
16 . 1 . 1 32 32 ILE N N 15 118.747 . . . . . . . . 10 I N . 50560 2
17 . 1 . 1 33 33 ILE H H 1 8.236 . . . . . . . . 11 I H . 50560 2
18 . 1 . 1 33 33 ILE N N 15 118.894 . . . . . . . . 11 I N . 50560 2
19 . 1 . 1 34 34 GLY H H 1 8.447 . . . . . . . . 12 G H . 50560 2
20 . 1 . 1 34 34 GLY N N 15 105.117 . . . . . . . . 12 G N . 50560 2
21 . 1 . 1 35 35 GLU H H 1 8.197 . . . . . . . . 13 E H . 50560 2
22 . 1 . 1 35 35 GLU N N 15 119.916 . . . . . . . . 13 E N . 50560 2
23 . 1 . 1 36 36 GLN H H 1 117.199 . . . . . . . . 14 Q H . 50560 2
24 . 1 . 1 36 36 GLN N N 15 8.382 . . . . . . . . 14 Q N . 50560 2
25 . 1 . 1 37 37 LEU H H 1 7.992 . . . . . . . . 15 L H . 50560 2
26 . 1 . 1 37 37 LEU N N 15 112.963 . . . . . . . . 15 L N . 50560 2
27 . 1 . 1 38 38 GLY H H 1 7.789 . . . . . . . . 16 G H . 50560 2
28 . 1 . 1 38 38 GLY N N 15 109.643 . . . . . . . . 16 G N . 50560 2
29 . 1 . 1 39 39 VAL H H 1 7.854 . . . . . . . . 17 V H . 50560 2
30 . 1 . 1 39 39 VAL N N 15 114.18 . . . . . . . . 17 V N . 50560 2
31 . 1 . 1 40 40 LYS H H 1 8.536 . . . . . . . . 18 K H . 50560 2
32 . 1 . 1 40 40 LYS N N 15 122.629 . . . . . . . . 18 K N . 50560 2
33 . 1 . 1 41 41 GLN H H 1 122.371 . . . . . . . . 19 Q H . 50560 2
34 . 1 . 1 41 41 GLN N N 15 8.775 . . . . . . . . 19 Q N . 50560 2
35 . 1 . 1 42 42 GLU H H 1 9.388 . . . . . . . . 20 E H . 50560 2
36 . 1 . 1 42 42 GLU N N 15 116.319 . . . . . . . . 20 E N . 50560 2
37 . 1 . 1 43 43 GLU H H 1 7.861 . . . . . . . . 21 E H . 50560 2
38 . 1 . 1 43 43 GLU N N 15 116.656 . . . . . . . . 21 E N . 50560 2
39 . 1 . 1 44 44 VAL H H 1 7.523 . . . . . . . . 22 V H . 50560 2
40 . 1 . 1 44 44 VAL N N 15 122.085 . . . . . . . . 22 V N . 50560 2
41 . 1 . 1 45 45 THR H H 1 7.334 . . . . . . . . 23 T H . 50560 2
42 . 1 . 1 45 45 THR N N 15 115.312 . . . . . . . . 23 T N . 50560 2
43 . 1 . 1 46 46 ASN H H 1 118.341 . . . . . . . . 24 N H . 50560 2
44 . 1 . 1 46 46 ASN N N 15 8.595 . . . . . . . . 24 N N . 50560 2
45 . 1 . 1 47 47 ASN H H 1 110.942 . . . . . . . . 25 N H . 50560 2
46 . 1 . 1 47 47 ASN N N 15 8.065 . . . . . . . . 25 N N . 50560 2
47 . 1 . 1 48 48 ALA H H 1 7.315 . . . . . . . . 26 A H . 50560 2
48 . 1 . 1 48 48 ALA N N 15 122.556 . . . . . . . . 26 A N . 50560 2
49 . 1 . 1 49 49 SER H H 1 9.938 . . . . . . . . 27 S H . 50560 2
50 . 1 . 1 49 49 SER N N 15 116.926 . . . . . . . . 27 S N . 50560 2
51 . 1 . 1 50 50 PHE H H 1 7.533 . . . . . . . . 28 F H . 50560 2
52 . 1 . 1 50 50 PHE N N 15 125.428 . . . . . . . . 28 F N . 50560 2
53 . 1 . 1 51 51 VAL H H 1 8.735 . . . . . . . . 29 V H . 50560 2
54 . 1 . 1 51 51 VAL N N 15 116.54 . . . . . . . . 29 V N . 50560 2
55 . 1 . 1 52 52 GLU H H 1 8.295 . . . . . . . . 30 E H . 50560 2
56 . 1 . 1 52 52 GLU N N 15 116.431 . . . . . . . . 30 E N . 50560 2
57 . 1 . 1 53 53 ASP H H 1 7.793 . . . . . . . . 31 D H . 50560 2
58 . 1 . 1 53 53 ASP N N 15 113.377 . . . . . . . . 31 D N . 50560 2
59 . 1 . 1 54 54 LEU H H 1 7.375 . . . . . . . . 32 L H . 50560 2
60 . 1 . 1 54 54 LEU N N 15 115.435 . . . . . . . . 32 L N . 50560 2
61 . 1 . 1 55 55 GLY H H 1 7.304 . . . . . . . . 33 G H . 50560 2
62 . 1 . 1 55 55 GLY N N 15 106.25 . . . . . . . . 33 G N . 50560 2
63 . 1 . 1 56 56 ALA H H 1 8.449 . . . . . . . . 34 A H . 50560 2
64 . 1 . 1 56 56 ALA N N 15 122.499 . . . . . . . . 34 A N . 50560 2
65 . 1 . 1 57 57 ASP H H 1 9.379 . . . . . . . . 35 D H . 50560 2
66 . 1 . 1 57 57 ASP N N 15 121.712 . . . . . . . . 35 D N . 50560 2
67 . 1 . 1 58 58 SER H H 1 8.657 . . . . . . . . 36 S H . 50560 2
68 . 1 . 1 58 58 SER N N 15 111.638 . . . . . . . . 36 S N . 50560 2
69 . 1 . 1 59 59 LEU H H 1 8.048 . . . . . . . . 37 L H . 50560 2
70 . 1 . 1 59 59 LEU N N 15 123.441 . . . . . . . . 37 L N . 50560 2
71 . 1 . 1 60 60 ASP H H 1 8.341 . . . . . . . . 38 D H . 50560 2
72 . 1 . 1 60 60 ASP N N 15 119.689 . . . . . . . . 38 D N . 50560 2
73 . 1 . 1 61 61 THR H H 1 8.154 . . . . . . . . 39 T H . 50560 2
74 . 1 . 1 61 61 THR N N 15 112.13 . . . . . . . . 39 T N . 50560 2
75 . 1 . 1 62 62 VAL H H 1 7.243 . . . . . . . . 40 V H . 50560 2
76 . 1 . 1 62 62 VAL N N 15 121.785 . . . . . . . . 40 V N . 50560 2
77 . 1 . 1 63 63 GLU H H 1 7.848 . . . . . . . . 41 E H . 50560 2
78 . 1 . 1 63 63 GLU N N 15 119.176 . . . . . . . . 41 E N . 50560 2
79 . 1 . 1 64 64 LEU H H 1 8.445 . . . . . . . . 42 L H . 50560 2
80 . 1 . 1 64 64 LEU N N 15 120.876 . . . . . . . . 42 L N . 50560 2
81 . 1 . 1 65 65 VAL H H 1 7.958 . . . . . . . . 43 V H . 50560 2
82 . 1 . 1 65 65 VAL N N 15 119.275 . . . . . . . . 43 V N . 50560 2
83 . 1 . 1 66 66 MET H H 1 7.771 . . . . . . . . 44 M H . 50560 2
84 . 1 . 1 66 66 MET N N 15 116.377 . . . . . . . . 44 M N . 50560 2
85 . 1 . 1 67 67 ALA H H 1 8.127 . . . . . . . . 45 A H . 50560 2
86 . 1 . 1 67 67 ALA N N 15 121.109 . . . . . . . . 45 A N . 50560 2
87 . 1 . 1 68 68 LEU H H 1 8.374 . . . . . . . . 46 L H . 50560 2
88 . 1 . 1 68 68 LEU N N 15 120.127 . . . . . . . . 46 L N . 50560 2
89 . 1 . 1 69 69 GLU H H 1 8.558 . . . . . . . . 47 E H . 50560 2
90 . 1 . 1 69 69 GLU N N 15 119.974 . . . . . . . . 47 E N . 50560 2
91 . 1 . 1 70 70 GLU H H 1 7.841 . . . . . . . . 48 E H . 50560 2
92 . 1 . 1 70 70 GLU N N 15 117.131 . . . . . . . . 48 E N . 50560 2
93 . 1 . 1 71 71 GLU H H 1 7.958 . . . . . . . . 49 E H . 50560 2
94 . 1 . 1 71 71 GLU N N 15 119.275 . . . . . . . . 49 E N . 50560 2
95 . 1 . 1 72 72 PHE H H 1 7.731 . . . . . . . . 50 F H . 50560 2
96 . 1 . 1 72 72 PHE N N 15 111.836 . . . . . . . . 50 F N . 50560 2
97 . 1 . 1 73 73 ASP H H 1 7.789 . . . . . . . . 51 D H . 50560 2
98 . 1 . 1 73 73 ASP N N 15 121.738 . . . . . . . . 51 D N . 50560 2
99 . 1 . 1 74 74 THR H H 1 8.084 . . . . . . . . 52 T H . 50560 2
100 . 1 . 1 74 74 THR N N 15 111.75 . . . . . . . . 52 T N . 50560 2
101 . 1 . 1 75 75 GLU H H 1 8.072 . . . . . . . . 53 E H . 50560 2
102 . 1 . 1 75 75 GLU N N 15 122.357 . . . . . . . . 53 E N . 50560 2
103 . 1 . 1 76 76 ILE H H 1 10.293 . . . . . . . . 54 I H . 50560 2
104 . 1 . 1 76 76 ILE N N 15 128.625 . . . . . . . . 54 I N . 50560 2
105 . 1 . 1 78 78 ASP H H 1 8.953 . . . . . . . . 56 D H . 50560 2
106 . 1 . 1 78 78 ASP N N 15 124.779 . . . . . . . . 56 D N . 50560 2
107 . 1 . 1 79 79 GLU H H 1 9.285 . . . . . . . . 57 E H . 50560 2
108 . 1 . 1 79 79 GLU N N 15 116.15 . . . . . . . . 57 E N . 50560 2
109 . 1 . 1 80 80 GLU H H 1 7.189 . . . . . . . . 58 E H . 50560 2
110 . 1 . 1 80 80 GLU N N 15 115.68 . . . . . . . . 58 E N . 50560 2
111 . 1 . 1 81 81 ALA H H 1 8.251 . . . . . . . . 59 A H . 50560 2
112 . 1 . 1 81 81 ALA N N 15 122.662 . . . . . . . . 59 A N . 50560 2
113 . 1 . 1 82 82 GLU H H 1 7.548 . . . . . . . . 60 E H . 50560 2
114 . 1 . 1 82 82 GLU N N 15 112.416 . . . . . . . . 60 E N . 50560 2
115 . 1 . 1 83 83 LYS H H 1 7.003 . . . . . . . . 61 K H . 50560 2
116 . 1 . 1 83 83 LYS N N 15 113.454 . . . . . . . . 61 K N . 50560 2
117 . 1 . 1 84 84 ILE H H 1 7.606 . . . . . . . . 62 I H . 50560 2
118 . 1 . 1 84 84 ILE N N 15 121.989 . . . . . . . . 62 I N . 50560 2
119 . 1 . 1 85 85 THR H H 1 8.084 . . . . . . . . 63 T H . 50560 2
120 . 1 . 1 85 85 THR N N 15 111.75 . . . . . . . . 63 T N . 50560 2
121 . 1 . 1 86 86 THR H H 1 7.086 . . . . . . . . 64 T H . 50560 2
122 . 1 . 1 86 86 THR N N 15 110.403 . . . . . . . . 64 T N . 50560 2
123 . 1 . 1 87 87 VAL H H 1 8.029 . . . . . . . . 65 V H . 50560 2
124 . 1 . 1 87 87 VAL N N 15 120.918 . . . . . . . . 65 V N . 50560 2
125 . 1 . 1 88 88 GLN H H 1 118.341 . . . . . . . . 66 Q H . 50560 2
126 . 1 . 1 88 88 GLN N N 15 8.595 . . . . . . . . 66 Q N . 50560 2
127 . 1 . 1 89 89 ALA H H 1 7.818 . . . . . . . . 67 A H . 50560 2
128 . 1 . 1 89 89 ALA N N 15 119.126 . . . . . . . . 67 A N . 50560 2
129 . 1 . 1 90 90 ALA H H 1 7.866 . . . . . . . . 68 A H . 50560 2
130 . 1 . 1 90 90 ALA N N 15 121.426 . . . . . . . . 68 A N . 50560 2
131 . 1 . 1 91 91 ILE H H 1 8.069 . . . . . . . . 69 I H . 50560 2
132 . 1 . 1 91 91 ILE N N 15 118.693 . . . . . . . . 69 I N . 50560 2
133 . 1 . 1 92 92 ASP H H 1 9.152 . . . . . . . . 70 D H . 50560 2
134 . 1 . 1 92 92 ASP N N 15 118.582 . . . . . . . . 70 D N . 50560 2
135 . 1 . 1 93 93 TYR H H 1 8.127 . . . . . . . . 71 Y H . 50560 2
136 . 1 . 1 93 93 TYR N N 15 121.109 . . . . . . . . 71 Y N . 50560 2
137 . 1 . 1 94 94 ILE H H 1 8.179 . . . . . . . . 72 I H . 50560 2
138 . 1 . 1 94 94 ILE N N 15 120.583 . . . . . . . . 72 I N . 50560 2
139 . 1 . 1 95 95 ASN H H 1 117.924 . . . . . . . . 73 N H . 50560 2
140 . 1 . 1 95 95 ASN N N 15 8.812 . . . . . . . . 73 N N . 50560 2
141 . 1 . 1 96 96 GLY H H 1 7.812 . . . . . . . . 74 G H . 50560 2
142 . 1 . 1 96 96 GLY N N 15 105.039 . . . . . . . . 74 G N . 50560 2
143 . 1 . 1 97 97 HIS H H 1 7.636 . . . . . . . . 75 H H . 50560 2
144 . 1 . 1 97 97 HIS N N 15 118.747 . . . . . . . . 75 H N . 50560 2
stop_
save_