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 50559
_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' . . . 50559 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 . . 50559 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 8.638 . . . . . . . . 3 I H . 50559 2
2 . 1 . 1 25 25 ILE N N 15 121.449 . . . . . . . . 3 I N . 50559 2
3 . 1 . 1 26 26 GLU H H 1 8.601 . . . . . . . . 4 E H . 50559 2
4 . 1 . 1 26 26 GLU N N 15 118.641 . . . . . . . . 4 E N . 50559 2
5 . 1 . 1 27 27 GLU H H 1 7.836 . . . . . . . . 5 E H . 50559 2
6 . 1 . 1 27 27 GLU N N 15 117.343 . . . . . . . . 5 E N . 50559 2
7 . 1 . 1 28 28 ARG H H 1 8.336 . . . . . . . . 6 R H . 50559 2
8 . 1 . 1 28 28 ARG N N 15 119.862 . . . . . . . . 6 R N . 50559 2
9 . 1 . 1 29 29 VAL H H 1 8.903 . . . . . . . . 7 V H . 50559 2
10 . 1 . 1 29 29 VAL N N 15 118.952 . . . . . . . . 7 V N . 50559 2
11 . 1 . 1 30 30 LYS H H 1 8.222 . . . . . . . . 8 K H . 50559 2
12 . 1 . 1 30 30 LYS N N 15 117.113 . . . . . . . . 8 K N . 50559 2
13 . 1 . 1 31 31 LYS H H 1 8.26 . . . . . . . . 9 K H . 50559 2
14 . 1 . 1 31 31 LYS N N 15 120.392 . . . . . . . . 9 K N . 50559 2
15 . 1 . 1 32 32 ILE H H 1 7.616 . . . . . . . . 10 I H . 50559 2
16 . 1 . 1 32 32 ILE N N 15 119.308 . . . . . . . . 10 I N . 50559 2
17 . 1 . 1 33 33 ILE H H 1 8.299 . . . . . . . . 11 I H . 50559 2
18 . 1 . 1 33 33 ILE N N 15 118.886 . . . . . . . . 11 I N . 50559 2
19 . 1 . 1 34 34 GLY H H 1 8.47 . . . . . . . . 12 G H . 50559 2
20 . 1 . 1 34 34 GLY N N 15 105.323 . . . . . . . . 12 G N . 50559 2
21 . 1 . 1 35 35 GLU H H 1 8.197 . . . . . . . . 13 E H . 50559 2
22 . 1 . 1 35 35 GLU N N 15 120.039 . . . . . . . . 13 E N . 50559 2
23 . 1 . 1 36 36 GLN H H 1 117.25 . . . . . . . . 14 Q H . 50559 2
24 . 1 . 1 36 36 GLN N N 15 8.388 . . . . . . . . 14 Q N . 50559 2
25 . 1 . 1 37 37 LEU H H 1 8.072 . . . . . . . . 15 L H . 50559 2
26 . 1 . 1 37 37 LEU N N 15 113.35 . . . . . . . . 15 L N . 50559 2
27 . 1 . 1 38 38 GLY H H 1 7.802 . . . . . . . . 16 G H . 50559 2
28 . 1 . 1 38 38 GLY N N 15 109.731 . . . . . . . . 16 G N . 50559 2
29 . 1 . 1 39 39 VAL H H 1 7.858 . . . . . . . . 17 V H . 50559 2
30 . 1 . 1 39 39 VAL N N 15 114.443 . . . . . . . . 17 V N . 50559 2
31 . 1 . 1 40 40 LYS H H 1 8.527 . . . . . . . . 18 K H . 50559 2
32 . 1 . 1 40 40 LYS N N 15 122.99 . . . . . . . . 18 K N . 50559 2
33 . 1 . 1 41 41 GLN H H 1 122.824 . . . . . . . . 19 Q H . 50559 2
34 . 1 . 1 41 41 GLN N N 15 8.783 . . . . . . . . 19 Q N . 50559 2
35 . 1 . 1 42 42 GLU H H 1 9.416 . . . . . . . . 20 E H . 50559 2
36 . 1 . 1 42 42 GLU N N 15 116.531 . . . . . . . . 20 E N . 50559 2
37 . 1 . 1 43 43 GLU H H 1 7.864 . . . . . . . . 21 E H . 50559 2
38 . 1 . 1 43 43 GLU N N 15 116.89 . . . . . . . . 21 E N . 50559 2
39 . 1 . 1 44 44 VAL H H 1 7.518 . . . . . . . . 22 V H . 50559 2
40 . 1 . 1 44 44 VAL N N 15 122.217 . . . . . . . . 22 V N . 50559 2
41 . 1 . 1 45 45 THR H H 1 7.325 . . . . . . . . 23 T H . 50559 2
42 . 1 . 1 45 45 THR N N 15 115.459 . . . . . . . . 23 T N . 50559 2
43 . 1 . 1 46 46 ASN H H 1 118.641 . . . . . . . . 24 N H . 50559 2
44 . 1 . 1 46 46 ASN N N 15 8.601 . . . . . . . . 24 N N . 50559 2
45 . 1 . 1 47 47 ASN H H 1 111.961 . . . . . . . . 25 N H . 50559 2
46 . 1 . 1 47 47 ASN N N 15 8.073 . . . . . . . . 25 N N . 50559 2
47 . 1 . 1 48 48 ALA H H 1 7.289 . . . . . . . . 26 A H . 50559 2
48 . 1 . 1 48 48 ALA N N 15 122.761 . . . . . . . . 26 A N . 50559 2
49 . 1 . 1 49 49 SER H H 1 9.931 . . . . . . . . 27 S H . 50559 2
50 . 1 . 1 49 49 SER N N 15 117.148 . . . . . . . . 27 S N . 50559 2
51 . 1 . 1 50 50 PHE H H 1 7.557 . . . . . . . . 28 F H . 50559 2
52 . 1 . 1 50 50 PHE N N 15 125.027 . . . . . . . . 28 F N . 50559 2
53 . 1 . 1 51 51 VAL H H 1 8.757 . . . . . . . . 29 V H . 50559 2
54 . 1 . 1 51 51 VAL N N 15 116.635 . . . . . . . . 29 V N . 50559 2
55 . 1 . 1 52 52 GLU H H 1 8.298 . . . . . . . . 30 E H . 50559 2
56 . 1 . 1 52 52 GLU N N 15 116.709 . . . . . . . . 30 E N . 50559 2
57 . 1 . 1 53 53 ASP H H 1 7.759 . . . . . . . . 31 D H . 50559 2
58 . 1 . 1 53 53 ASP N N 15 113.743 . . . . . . . . 31 D N . 50559 2
59 . 1 . 1 54 54 LEU H H 1 7.325 . . . . . . . . 32 L H . 50559 2
60 . 1 . 1 54 54 LEU N N 15 115.459 . . . . . . . . 32 L N . 50559 2
61 . 1 . 1 55 55 GLY H H 1 7.225 . . . . . . . . 33 G H . 50559 2
62 . 1 . 1 55 55 GLY N N 15 106.375 . . . . . . . . 33 G N . 50559 2
63 . 1 . 1 56 56 ALA H H 1 8.448 . . . . . . . . 34 A H . 50559 2
64 . 1 . 1 56 56 ALA N N 15 122.545 . . . . . . . . 34 A N . 50559 2
65 . 1 . 1 57 57 ASP H H 1 9.308 . . . . . . . . 35 D H . 50559 2
66 . 1 . 1 57 57 ASP N N 15 122.911 . . . . . . . . 35 D N . 50559 2
67 . 1 . 1 58 58 SER H H 1 8.654 . . . . . . . . 36 S H . 50559 2
68 . 1 . 1 58 58 SER N N 15 112.929 . . . . . . . . 36 S N . 50559 2
69 . 1 . 1 59 59 LEU H H 1 8.16 . . . . . . . . 37 L H . 50559 2
70 . 1 . 1 59 59 LEU N N 15 123.447 . . . . . . . . 37 L N . 50559 2
71 . 1 . 1 60 60 ASP H H 1 8.336 . . . . . . . . 38 D H . 50559 2
72 . 1 . 1 60 60 ASP N N 15 119.862 . . . . . . . . 38 D N . 50559 2
73 . 1 . 1 61 61 THR H H 1 8.156 . . . . . . . . 39 T H . 50559 2
74 . 1 . 1 61 61 THR N N 15 111.584 . . . . . . . . 39 T N . 50559 2
75 . 1 . 1 62 62 VAL H H 1 7.224 . . . . . . . . 40 V H . 50559 2
76 . 1 . 1 62 62 VAL N N 15 120.974 . . . . . . . . 40 V N . 50559 2
77 . 1 . 1 63 63 GLU H H 1 7.829 . . . . . . . . 41 E H . 50559 2
78 . 1 . 1 63 63 GLU N N 15 119.16 . . . . . . . . 41 E N . 50559 2
79 . 1 . 1 64 64 LEU H H 1 8.399 . . . . . . . . 42 L H . 50559 2
80 . 1 . 1 64 64 LEU N N 15 120.987 . . . . . . . . 42 L N . 50559 2
81 . 1 . 1 65 65 VAL H H 1 7.986 . . . . . . . . 43 V H . 50559 2
82 . 1 . 1 65 65 VAL N N 15 119.136 . . . . . . . . 43 V N . 50559 2
83 . 1 . 1 66 66 MET H H 1 7.864 . . . . . . . . 44 M H . 50559 2
84 . 1 . 1 66 66 MET N N 15 116.89 . . . . . . . . 44 M N . 50559 2
85 . 1 . 1 67 67 ALA H H 1 8.129 . . . . . . . . 45 A H . 50559 2
86 . 1 . 1 67 67 ALA N N 15 120.939 . . . . . . . . 45 A N . 50559 2
87 . 1 . 1 68 68 LEU H H 1 8.389 . . . . . . . . 46 L H . 50559 2
88 . 1 . 1 68 68 LEU N N 15 120.377 . . . . . . . . 46 L N . 50559 2
89 . 1 . 1 69 69 GLU H H 1 8.678 . . . . . . . . 47 E H . 50559 2
90 . 1 . 1 69 69 GLU N N 15 119.738 . . . . . . . . 47 E N . 50559 2
91 . 1 . 1 70 70 GLU H H 1 7.864 . . . . . . . . 48 E H . 50559 2
92 . 1 . 1 70 70 GLU N N 15 116.89 . . . . . . . . 48 E N . 50559 2
93 . 1 . 1 71 71 GLU H H 1 7.949 . . . . . . . . 49 E H . 50559 2
94 . 1 . 1 71 71 GLU N N 15 119.395 . . . . . . . . 49 E N . 50559 2
95 . 1 . 1 72 72 PHE H H 1 7.767 . . . . . . . . 50 F H . 50559 2
96 . 1 . 1 72 72 PHE N N 15 111.515 . . . . . . . . 50 F N . 50559 2
97 . 1 . 1 73 73 ASP H H 1 7.851 . . . . . . . . 51 D H . 50559 2
98 . 1 . 1 73 73 ASP N N 15 122.13 . . . . . . . . 51 D N . 50559 2
99 . 1 . 1 74 74 THR H H 1 8.063 . . . . . . . . 52 T H . 50559 2
100 . 1 . 1 74 74 THR N N 15 112.116 . . . . . . . . 52 T N . 50559 2
101 . 1 . 1 75 75 GLU H H 1 8.108 . . . . . . . . 53 E H . 50559 2
102 . 1 . 1 75 75 GLU N N 15 122.399 . . . . . . . . 53 E N . 50559 2
103 . 1 . 1 78 78 ASP H H 1 8.923 . . . . . . . . 56 D H . 50559 2
104 . 1 . 1 78 78 ASP N N 15 125.326 . . . . . . . . 56 D N . 50559 2
105 . 1 . 1 79 79 GLU H H 1 9.287 . . . . . . . . 57 E H . 50559 2
106 . 1 . 1 79 79 GLU N N 15 116.143 . . . . . . . . 57 E N . 50559 2
107 . 1 . 1 80 80 GLU H H 1 7.201 . . . . . . . . 58 E H . 50559 2
108 . 1 . 1 80 80 GLU N N 15 115.909 . . . . . . . . 58 E N . 50559 2
109 . 1 . 1 81 81 ALA H H 1 8.177 . . . . . . . . 59 A H . 50559 2
110 . 1 . 1 81 81 ALA N N 15 122.841 . . . . . . . . 59 A N . 50559 2
111 . 1 . 1 82 82 GLU H H 1 7.551 . . . . . . . . 60 E H . 50559 2
112 . 1 . 1 82 82 GLU N N 15 112.295 . . . . . . . . 60 E N . 50559 2
113 . 1 . 1 83 83 LYS H H 1 7.022 . . . . . . . . 61 K H . 50559 2
114 . 1 . 1 83 83 LYS N N 15 113.943 . . . . . . . . 61 K N . 50559 2
115 . 1 . 1 84 84 ILE H H 1 7.62 . . . . . . . . 62 I H . 50559 2
116 . 1 . 1 84 84 ILE N N 15 122.463 . . . . . . . . 62 I N . 50559 2
117 . 1 . 1 85 85 THR H H 1 7.982 . . . . . . . . 63 T H . 50559 2
118 . 1 . 1 85 85 THR N N 15 112.24 . . . . . . . . 63 T N . 50559 2
119 . 1 . 1 86 86 THR H H 1 7.217 . . . . . . . . 64 T H . 50559 2
120 . 1 . 1 86 86 THR N N 15 110.217 . . . . . . . . 64 T N . 50559 2
121 . 1 . 1 87 87 VAL H H 1 7.988 . . . . . . . . 65 V H . 50559 2
122 . 1 . 1 87 87 VAL N N 15 121.328 . . . . . . . . 65 V N . 50559 2
123 . 1 . 1 88 88 GLN H H 1 117.878 . . . . . . . . 66 Q H . 50559 2
124 . 1 . 1 88 88 GLN N N 15 8.667 . . . . . . . . 66 Q N . 50559 2
125 . 1 . 1 89 89 ALA H H 1 7.782 . . . . . . . . 67 A H . 50559 2
126 . 1 . 1 89 89 ALA N N 15 119.197 . . . . . . . . 67 A N . 50559 2
127 . 1 . 1 90 90 ALA H H 1 7.932 . . . . . . . . 68 A H . 50559 2
128 . 1 . 1 90 90 ALA N N 15 122.54 . . . . . . . . 68 A N . 50559 2
129 . 1 . 1 91 91 ILE H H 1 8.103 . . . . . . . . 69 I H . 50559 2
130 . 1 . 1 91 91 ILE N N 15 118.979 . . . . . . . . 69 I N . 50559 2
131 . 1 . 1 92 92 ASP H H 1 9.109 . . . . . . . . 70 D H . 50559 2
132 . 1 . 1 92 92 ASP N N 15 119.061 . . . . . . . . 70 D N . 50559 2
133 . 1 . 1 93 93 TYR H H 1 8.151 . . . . . . . . 71 Y H . 50559 2
134 . 1 . 1 93 93 TYR N N 15 121.445 . . . . . . . . 71 Y N . 50559 2
135 . 1 . 1 94 94 ILE H H 1 8.195 . . . . . . . . 72 I H . 50559 2
136 . 1 . 1 94 94 ILE N N 15 120.641 . . . . . . . . 72 I N . 50559 2
137 . 1 . 1 95 95 ASN H H 1 118.183 . . . . . . . . 73 N H . 50559 2
138 . 1 . 1 95 95 ASN N N 15 8.825 . . . . . . . . 73 N N . 50559 2
139 . 1 . 1 96 96 GLY H H 1 7.828 . . . . . . . . 74 G H . 50559 2
140 . 1 . 1 96 96 GLY N N 15 104.964 . . . . . . . . 74 G N . 50559 2
141 . 1 . 1 97 97 HIS H H 1 7.643 . . . . . . . . 75 H H . 50559 2
142 . 1 . 1 97 97 HIS N N 15 118.604 . . . . . . . . 75 H N . 50559 2
stop_
save_