Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 26997
_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 .
_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
;
Origin xeasy file /nmr/data/Leger/4E-BP_assignment_deposition/complex_with_m4E/chemical_shifts.prot
;
_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 HNCO 1 $sample_1 isotropic 26997 1
2 HNCA 1 $sample_1 isotropic 26997 1
3 HSQC 1 $sample_1 isotropic 26997 1
4 HNCACO 1 $sample_1 isotropic 26997 1
5 HNCOCA 1 $sample_1 isotropic 26997 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 $XEASY . . 26997 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.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 SER H H 1 8.132 . . 1 . . 58 . . 44 SER H . 26997 1
2 . 1 1 4 4 SER C C 13 174.374 . . 1 . . 60 . . 44 SER C . 26997 1
3 . 1 1 4 4 SER CA C 13 57.657 . . 1 . . 127 . . 44 SER CA . 26997 1
4 . 1 1 4 4 SER N N 15 117.173 . . 1 . . 59 . . 44 SER N . 26997 1
5 . 1 1 5 5 THR H H 1 8.156 . . 1 . . 37 . . 45 THR H . 26997 1
6 . 1 1 5 5 THR C C 13 174.450 . . 1 . . 39 . . 45 THR C . 26997 1
7 . 1 1 5 5 THR CA C 13 61.285 . . 1 . . 121 . . 45 THR CA . 26997 1
8 . 1 1 5 5 THR N N 15 115.523 . . 1 . . 38 . . 45 THR N . 26997 1
9 . 1 1 6 6 THR H H 1 8.139 . . 1 . . 52 . . 46 THR H . 26997 1
10 . 1 1 6 6 THR C C 13 172.934 . . 1 . . 54 . . 46 THR C . 26997 1
11 . 1 1 6 6 THR CA C 13 59.411 . . 1 . . 125 . . 46 THR CA . 26997 1
12 . 1 1 6 6 THR N N 15 118.613 . . 1 . . 53 . . 46 THR N . 26997 1
13 . 1 1 8 8 GLY H H 1 8.435 . . 1 . . 97 . . 48 GLY H . 26997 1
14 . 1 1 8 8 GLY C C 13 174.747 . . 1 . . 99 . . 48 GLY C . 26997 1
15 . 1 1 8 8 GLY CA C 13 44.880 . . 1 . . 144 . . 48 GLY CA . 26997 1
16 . 1 1 8 8 GLY N N 15 109.550 . . 1 . . 98 . . 48 GLY N . 26997 1
17 . 1 1 9 9 GLY H H 1 8.173 . . 1 . . 106 . . 49 GLY H . 26997 1
18 . 1 1 9 9 GLY C C 13 174.219 . . 1 . . 108 . . 49 GLY C . 26997 1
19 . 1 1 9 9 GLY CA C 13 44.776 . . 1 . . 142 . . 49 GLY CA . 26997 1
20 . 1 1 9 9 GLY N N 15 108.804 . . 1 . . 107 . . 49 GLY N . 26997 1
21 . 1 1 10 10 THR H H 1 7.977 . . 1 . . 43 . . 50 THR H . 26997 1
22 . 1 1 10 10 THR C C 13 173.995 . . 1 . . 45 . . 50 THR C . 26997 1
23 . 1 1 10 10 THR CA C 13 61.281 . . 1 . . 122 . . 50 THR CA . 26997 1
24 . 1 1 10 10 THR N N 15 113.819 . . 1 . . 44 . . 50 THR N . 26997 1
25 . 1 1 11 11 ARG H H 1 8.106 . . 1 . . 16 . . 51 ARG H . 26997 1
26 . 1 1 11 11 ARG C C 13 175.723 . . 1 . . 18 . . 51 ARG C . 26997 1
27 . 1 1 11 11 ARG CA C 13 55.429 . . 1 . . 114 . . 51 ARG CA . 26997 1
28 . 1 1 11 11 ARG N N 15 124.666 . . 1 . . 17 . . 51 ARG N . 26997 1
29 . 1 1 12 12 ILE H H 1 8.376 . . 1 . . 13 . . 52 ILE H . 26997 1
30 . 1 1 12 12 ILE C C 13 173.779 . . 1 . . 15 . . 52 ILE C . 26997 1
31 . 1 1 12 12 ILE CA C 13 61.881 . . 1 . . 113 . . 52 ILE CA . 26997 1
32 . 1 1 12 12 ILE N N 15 127.129 . . 1 . . 14 . . 52 ILE N . 26997 1
33 . 1 1 13 13 ILE H H 1 7.226 . . 1 . . 10 . . 53 ILE H . 26997 1
34 . 1 1 13 13 ILE C C 13 176.023 . . 1 . . 12 . . 53 ILE C . 26997 1
35 . 1 1 13 13 ILE CA C 13 58.498 . . 1 . . 112 . . 53 ILE CA . 26997 1
36 . 1 1 13 13 ILE N N 15 127.448 . . 1 . . 11 . . 53 ILE N . 26997 1
37 . 1 1 14 14 TYR H H 1 8.444 . . 1 . . 28 . . 54 TYR H . 26997 1
38 . 1 1 14 14 TYR C C 13 175.449 . . 1 . . 30 . . 54 TYR C . 26997 1
39 . 1 1 14 14 TYR CA C 13 55.413 . . 1 . . 118 . . 54 TYR CA . 26997 1
40 . 1 1 14 14 TYR N N 15 121.170 . . 1 . . 29 . . 54 TYR N . 26997 1
41 . 1 1 15 15 ASP H H 1 8.689 . . 1 . . 19 . . 55 ASP H . 26997 1
42 . 1 1 15 15 ASP C C 13 175.346 . . 1 . . 21 . . 55 ASP C . 26997 1
43 . 1 1 15 15 ASP CA C 13 52.143 . . 1 . . 115 . . 55 ASP CA . 26997 1
44 . 1 1 15 15 ASP N N 15 122.423 . . 1 . . 20 . . 55 ASP N . 26997 1
45 . 1 1 16 16 ARG H H 1 8.637 . . 1 . . 25 . . 56 ARG H . 26997 1
46 . 1 1 16 16 ARG C C 13 177.304 . . 1 . . 27 . . 56 ARG C . 26997 1
47 . 1 1 16 16 ARG CA C 13 59.760 . . 1 . . 117 . . 56 ARG CA . 26997 1
48 . 1 1 16 16 ARG N N 15 121.205 . . 1 . . 26 . . 56 ARG N . 26997 1
49 . 1 1 17 17 LYS H H 1 8.143 . . 1 . . 55 . . 57 LYS H . 26997 1
50 . 1 1 17 17 LYS C C 13 178.886 . . 1 . . 57 . . 57 LYS C . 26997 1
51 . 1 1 17 17 LYS CA C 13 59.414 . . 1 . . 126 . . 57 LYS CA . 26997 1
52 . 1 1 17 17 LYS N N 15 118.243 . . 1 . . 56 . . 57 LYS N . 26997 1
53 . 1 1 18 18 PHE H H 1 7.959 . . 1 . . 34 . . 58 PHE H . 26997 1
54 . 1 1 18 18 PHE C C 13 178.434 . . 1 . . 36 . . 58 PHE C . 26997 1
55 . 1 1 18 18 PHE CA C 13 60.935 . . 1 . . 120 . . 58 PHE CA . 26997 1
56 . 1 1 18 18 PHE N N 15 120.453 . . 1 . . 35 . . 58 PHE N . 26997 1
57 . 1 1 19 19 LEU H H 1 7.930 . . 1 . . 91 . . 59 LEU H . 26997 1
58 . 1 1 19 19 LEU C C 13 180.458 . . 1 . . 93 . . 59 LEU C . 26997 1
59 . 1 1 19 19 LEU CA C 13 58.333 . . 1 . . 138 . . 59 LEU CA . 26997 1
60 . 1 1 19 19 LEU N N 15 116.784 . . 1 . . 92 . . 59 LEU N . 26997 1
61 . 1 1 20 20 MET H H 1 8.395 . . 1 . . 85 . . 60 MET H . 26997 1
62 . 1 1 20 20 MET C C 13 179.925 . . 1 . . 87 . . 60 MET C . 26997 1
63 . 1 1 20 20 MET CA C 13 56.954 . . 1 . . 137 . . 60 MET CA . 26997 1
64 . 1 1 20 20 MET N N 15 116.193 . . 1 . . 86 . . 60 MET N . 26997 1
65 . 1 1 21 21 GLU H H 1 7.993 . . 1 . . 31 . . 61 GLU H . 26997 1
66 . 1 1 21 21 GLU C C 13 179.330 . . 1 . . 33 . . 61 GLU C . 26997 1
67 . 1 1 21 21 GLU CA C 13 58.470 . . 1 . . 119 . . 61 GLU CA . 26997 1
68 . 1 1 21 21 GLU N N 15 122.503 . . 1 . . 32 . . 61 GLU N . 26997 1
69 . 1 1 22 22 CYS H H 1 7.121 . . 1 . . 82 . . 62 CYS H . 26997 1
70 . 1 1 22 22 CYS C C 13 174.752 . . 1 . . 84 . . 62 CYS C . 26997 1
71 . 1 1 22 22 CYS CA C 13 61.286 . . 1 . . 135 . . 62 CYS CA . 26997 1
72 . 1 1 22 22 CYS N N 15 114.808 . . 1 . . 83 . . 62 CYS N . 26997 1
73 . 1 1 23 23 ARG H H 1 6.697 . . 1 . . 4 . . 63 ARG H . 26997 1
74 . 1 1 23 23 ARG C C 13 175.189 . . 1 . . 6 . . 63 ARG C . 26997 1
75 . 1 1 23 23 ARG CA C 13 57.782 . . 1 . . 109 . . 63 ARG CA . 26997 1
76 . 1 1 23 23 ARG N N 15 118.477 . . 1 . . 5 . . 63 ARG N . 26997 1
77 . 1 1 24 24 ASN H H 1 7.002 . . 1 . . 94 . . 64 ASN H . 26997 1
78 . 1 1 24 24 ASN C C 13 174.896 . . 1 . . 96 . . 64 ASN C . 26997 1
79 . 1 1 24 24 ASN CA C 13 52.494 . . 1 . . 139 . . 64 ASN CA . 26997 1
80 . 1 1 24 24 ASN N N 15 112.134 . . 1 . . 95 . . 64 ASN N . 26997 1
81 . 1 1 25 25 SER H H 1 7.078 . . 1 . . 76 . . 65 SER H . 26997 1
82 . 1 1 25 25 SER C C 13 175.208 . . 1 . . 78 . . 65 SER C . 26997 1
83 . 1 1 25 25 SER CA C 13 55.778 . . 1 . . 133 . . 65 SER CA . 26997 1
84 . 1 1 25 25 SER N N 15 115.617 . . 1 . . 77 . . 65 SER N . 26997 1
85 . 1 1 27 27 VAL H H 1 7.405 . . 1 . . 79 . . 67 VAL H . 26997 1
86 . 1 1 27 27 VAL C C 13 176.959 . . 1 . . 81 . . 67 VAL C . 26997 1
87 . 1 1 27 27 VAL CA C 13 63.522 . . 1 . . 134 . . 67 VAL CA . 26997 1
88 . 1 1 27 27 VAL N N 15 115.034 . . 1 . . 80 . . 67 VAL N . 26997 1
89 . 1 1 28 28 THR H H 1 7.675 . . 1 . . 103 . . 68 THR H . 26997 1
90 . 1 1 28 28 THR C C 13 174.929 . . 1 . . 105 . . 68 THR C . 26997 1
91 . 1 1 28 28 THR CA C 13 63.038 . . 1 . . 141 . . 68 THR CA . 26997 1
92 . 1 1 28 28 THR N N 15 107.942 . . 1 . . 104 . . 68 THR N . 26997 1
93 . 1 1 29 29 LYS H H 1 7.090 . . 1 . . 1 . . 69 LYS H . 26997 1
94 . 1 1 29 29 LYS C C 13 175.900 . . 1 . . 3 . . 69 LYS C . 26997 1
95 . 1 1 29 29 LYS CA C 13 55.780 . . 1 . . 110 . . 69 LYS CA . 26997 1
96 . 1 1 29 29 LYS N N 15 118.083 . . 1 . . 2 . . 69 LYS N . 26997 1
97 . 1 1 30 30 THR H H 1 7.198 . . 1 . . 73 . . 70 THR H . 26997 1
98 . 1 1 30 30 THR C C 13 171.230 . . 1 . . 75 . . 70 THR C . 26997 1
99 . 1 1 30 30 THR CA C 13 58.619 . . 1 . . 132 . . 70 THR CA . 26997 1
100 . 1 1 30 30 THR N N 15 115.929 . . 1 . . 74 . . 70 THR N . 26997 1
101 . 1 1 33 33 ARG H H 1 8.485 . . 1 . . 22 . . 73 ARG H . 26997 1
102 . 1 1 33 33 ARG C C 13 176.561 . . 1 . . 24 . . 73 ARG C . 26997 1
103 . 1 1 33 33 ARG CA C 13 56.857 . . 1 . . 116 . . 73 ARG CA . 26997 1
104 . 1 1 33 33 ARG N N 15 122.635 . . 1 . . 23 . . 73 ARG N . 26997 1
105 . 1 1 34 34 ASP H H 1 8.417 . . 1 . . 88 . . 74 ASP H . 26997 1
106 . 1 1 34 34 ASP C C 13 175.499 . . 1 . . 90 . . 74 ASP C . 26997 1
107 . 1 1 34 34 ASP CA C 13 53.549 . . 1 . . 136 . . 74 ASP CA . 26997 1
108 . 1 1 34 34 ASP N N 15 116.634 . . 1 . . 89 . . 74 ASP N . 26997 1
109 . 1 1 35 35 LEU H H 1 7.266 . . 1 . . 7 . . 75 LEU H . 26997 1
110 . 1 1 35 35 LEU C C 13 175.275 . . 1 . . 9 . . 75 LEU C . 26997 1
111 . 1 1 35 35 LEU CA C 13 52.968 . . 1 . . 111 . . 75 LEU CA . 26997 1
112 . 1 1 35 35 LEU N N 15 121.449 . . 1 . . 8 . . 75 LEU N . 26997 1
113 . 1 1 37 37 THR H H 1 8.690 . . 1 . . 46 . . 77 THR H . 26997 1
114 . 1 1 37 37 THR C C 13 173.714 . . 1 . . 48 . . 77 THR C . 26997 1
115 . 1 1 37 37 THR CA C 13 61.990 . . 1 . . 123 . . 77 THR CA . 26997 1
116 . 1 1 37 37 THR N N 15 117.842 . . 1 . . 47 . . 77 THR N . 26997 1
117 . 1 1 38 38 ILE H H 1 7.956 . . 1 . . 67 . . 78 ILE H . 26997 1
118 . 1 1 38 38 ILE C C 13 173.028 . . 1 . . 69 . . 78 ILE C . 26997 1
119 . 1 1 38 38 ILE CA C 13 57.539 . . 1 . . 130 . . 78 ILE CA . 26997 1
120 . 1 1 38 38 ILE N N 15 127.848 . . 1 . . 68 . . 78 ILE N . 26997 1
121 . 1 1 40 40 GLY H H 1 8.416 . . 1 . . 40 . . 80 GLY H . 26997 1
122 . 1 1 40 40 GLY C C 13 173.050 . . 1 . . 42 . . 80 GLY C . 26997 1
123 . 1 1 40 40 GLY CA C 13 44.998 . . 1 . . 143 . . 80 GLY CA . 26997 1
124 . 1 1 40 40 GLY N N 15 112.897 . . 1 . . 41 . . 80 GLY N . 26997 1
125 . 1 1 41 41 VAL H H 1 7.983 . . 1 . . 61 . . 81 VAL H . 26997 1
126 . 1 1 41 41 VAL C C 13 175.952 . . 1 . . 63 . . 81 VAL C . 26997 1
127 . 1 1 41 41 VAL CA C 13 63.869 . . 1 . . 128 . . 81 VAL CA . 26997 1
128 . 1 1 41 41 VAL N N 15 117.822 . . 1 . . 62 . . 81 VAL N . 26997 1
129 . 1 1 42 42 THR H H 1 8.326 . . 1 . . 100 . . 82 THR H . 26997 1
130 . 1 1 42 42 THR C C 13 173.557 . . 1 . . 102 . . 82 THR C . 26997 1
131 . 1 1 42 42 THR CA C 13 60.103 . . 1 . . 140 . . 82 THR CA . 26997 1
132 . 1 1 42 42 THR N N 15 106.390 . . 1 . . 101 . . 82 THR N . 26997 1
133 . 1 1 43 43 SER H H 1 7.742 . . 1 . . 64 . . 83 SER H . 26997 1
134 . 1 1 43 43 SER C C 13 172.051 . . 1 . . 66 . . 83 SER C . 26997 1
135 . 1 1 43 43 SER CA C 13 56.010 . . 1 . . 129 . . 83 SER CA . 26997 1
136 . 1 1 43 43 SER N N 15 117.005 . . 1 . . 65 . . 83 SER N . 26997 1
137 . 1 1 45 45 SER H H 1 8.315 . . 1 . . 49 . . 85 SER H . 26997 1
138 . 1 1 45 45 SER C C 13 173.321 . . 1 . . 51 . . 85 SER C . 26997 1
139 . 1 1 45 45 SER CA C 13 57.656 . . 1 . . 124 . . 85 SER CA . 26997 1
140 . 1 1 45 45 SER N N 15 118.010 . . 1 . . 50 . . 85 SER N . 26997 1
141 . 1 1 46 46 SER H H 1 7.913 . . 1 . . 70 . . 86 SER H . 26997 1
142 . 1 1 46 46 SER C C 13 180.824 . . 1 . . 72 . . 86 SER C . 26997 1
143 . 1 1 46 46 SER CA C 13 55.661 . . 1 . . 131 . . 86 SER CA . 26997 1
144 . 1 1 46 46 SER N N 15 127.376 . . 1 . . 71 . . 86 SER N . 26997 1
stop_
save_