Content for NMR-STAR saveframe, "chem_shift_list_1"
save_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 6653
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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 '2D 1H-15N_HSQC' 1 $sample_1 isotropic 6653 1
2 '3D HNCACB' 1 $sample_1 isotropic 6653 1
3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 6653 1
4 '3D HNCO' 1 $sample_1 isotropic 6653 1
stop_
loop_
_Systematic_chem_shift_offset.Type
_Systematic_chem_shift_offset.Atom_type
_Systematic_chem_shift_offset.Atom_isotope_number
_Systematic_chem_shift_offset.Val
_Systematic_chem_shift_offset.Val_err
_Systematic_chem_shift_offset.Entry_ID
_Systematic_chem_shift_offset.Assigned_chem_shift_list_ID
'water saturation' H 1 4.821 0.01 6653 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 . . 6653 1
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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 1 1 ASP C C 13 175.1 0.080 . 1 . . . . 2 ASP C . 6653 1
2 . 1 1 1 1 ASP CA C 13 54.451 0.310 . 1 . . . . 2 ASP CA . 6653 1
3 . 1 1 1 1 ASP CB C 13 41.792 0.310 . 1 . . . . 2 ASP CB . 6653 1
4 . 1 1 2 2 LEU H H 1 8.793 0.015 . 1 . . . . 3 LEU H . 6653 1
5 . 1 1 2 2 LEU C C 13 175.367 0.080 . 1 . . . . 3 LEU C . 6653 1
6 . 1 1 2 2 LEU CA C 13 54.249 0.310 . 1 . . . . 3 LEU CA . 6653 1
7 . 1 1 2 2 LEU CB C 13 42.602 0.310 . 1 . . . . 3 LEU CB . 6653 1
8 . 1 1 2 2 LEU N N 15 123.703 0.140 . 1 . . . . 3 LEU N . 6653 1
9 . 1 1 3 3 LYS H H 1 8.239 0.015 . 1 . . . . 4 LYS H . 6653 1
10 . 1 1 3 3 LYS C C 13 175.569 0.080 . 1 . . . . 4 LYS C . 6653 1
11 . 1 1 3 3 LYS CA C 13 55.160 0.310 . 1 . . . . 4 LYS CA . 6653 1
12 . 1 1 3 3 LYS CB C 13 33.336 0.310 . 1 . . . . 4 LYS CB . 6653 1
13 . 1 1 3 3 LYS N N 15 123.701 0.140 . 1 . . . . 4 LYS N . 6653 1
14 . 1 1 4 4 CYS H H 1 8.051 0.015 . 1 . . . . 5 CYS H . 6653 1
15 . 1 1 4 4 CYS CA C 13 61.945 0.310 . 1 . . . . 5 CYS CA . 6653 1
16 . 1 1 4 4 CYS CB C 13 30.348 0.310 . 1 . . . . 5 CYS CB . 6653 1
17 . 1 1 4 4 CYS N N 15 126.953 0.140 . 1 . . . . 5 CYS N . 6653 1
18 . 1 1 8 8 GLU C C 13 175.334 0.080 . 1 . . . . 9 GLU C . 6653 1
19 . 1 1 8 8 GLU CA C 13 56.882 0.310 . 1 . . . . 9 GLU CA . 6653 1
20 . 1 1 8 8 GLU CB C 13 28.222 0.310 . 1 . . . . 9 GLU CB . 6653 1
21 . 1 1 9 9 CYS H H 1 8.186 0.015 . 1 . . . . 10 CYS H . 6653 1
22 . 1 1 9 9 CYS CA C 13 57.894 0.310 . 1 . . . . 10 CYS CA . 6653 1
23 . 1 1 9 9 CYS CB C 13 31.766 0.310 . 1 . . . . 10 CYS CB . 6653 1
24 . 1 1 9 9 CYS N N 15 124.974 0.140 . 1 . . . . 10 CYS N . 6653 1
25 . 1 1 10 10 PRO C C 13 177.279 0.080 . 1 . . . . 11 PRO C . 6653 1
26 . 1 1 10 10 PRO CA C 13 63.565 0.310 . 1 . . . . 11 PRO CA . 6653 1
27 . 1 1 10 10 PRO CB C 13 32.981 0.310 . 1 . . . . 11 PRO CB . 6653 1
28 . 1 1 11 11 GLU H H 1 8.947 0.015 . 1 . . . . 12 GLU H . 6653 1
29 . 1 1 11 11 GLU C C 13 176.642 0.080 . 1 . . . . 12 GLU C . 6653 1
30 . 1 1 11 11 GLU CA C 13 58.553 0.310 . 1 . . . . 12 GLU CA . 6653 1
31 . 1 1 11 11 GLU CB C 13 31.108 0.310 . 1 . . . . 12 GLU CB . 6653 1
32 . 1 1 11 11 GLU N N 15 124.125 0.140 . 1 . . . . 12 GLU N . 6653 1
33 . 1 1 12 12 SER H H 1 8.637 0.015 . 1 . . . . 13 SER H . 6653 1
34 . 1 1 12 12 SER C C 13 173.455 0.080 . 1 . . . . 13 SER C . 6653 1
35 . 1 1 12 12 SER CA C 13 58.198 0.310 . 1 . . . . 13 SER CA . 6653 1
36 . 1 1 12 12 SER CB C 13 65.691 0.310 . 1 . . . . 13 SER CB . 6653 1
37 . 1 1 12 12 SER N N 15 118.894 0.140 . 1 . . . . 13 SER N . 6653 1
38 . 1 1 13 13 CYS H H 1 8.815 0.015 . 1 . . . . 14 CYS H . 6653 1
39 . 1 1 13 13 CYS C C 13 174.764 0.080 . 1 . . . . 14 CYS C . 6653 1
40 . 1 1 13 13 CYS CA C 13 58.350 0.310 . 1 . . . . 14 CYS CA . 6653 1
41 . 1 1 13 13 CYS CB C 13 33.083 0.310 . 1 . . . . 14 CYS CB . 6653 1
42 . 1 1 13 13 CYS N N 15 120.732 0.140 . 1 . . . . 14 CYS N . 6653 1
43 . 1 1 14 14 SER H H 1 9.482 0.015 . 1 . . . . 15 SER H . 6653 1
44 . 1 1 14 14 SER C C 13 173.824 0.080 . 1 . . . . 15 SER C . 6653 1
45 . 1 1 14 14 SER CA C 13 59.818 0.310 . 1 . . . . 15 SER CA . 6653 1
46 . 1 1 14 14 SER CB C 13 64.577 0.310 . 1 . . . . 15 SER CB . 6653 1
47 . 1 1 14 14 SER N N 15 115.924 0.140 . 1 . . . . 15 SER N . 6653 1
48 . 1 1 15 15 SER H H 1 7.506 0.015 . 1 . . . . 16 SER H . 6653 1
49 . 1 1 15 15 SER C C 13 174.093 0.080 . 1 . . . . 16 SER C . 6653 1
50 . 1 1 15 15 SER CA C 13 57.034 0.310 . 1 . . . . 16 SER CA . 6653 1
51 . 1 1 15 15 SER CB C 13 66.805 0.310 . 1 . . . . 16 SER CB . 6653 1
52 . 1 1 15 15 SER N N 15 111.965 0.140 . 1 . . . . 16 SER N . 6653 1
53 . 1 1 16 16 LEU H H 1 9.171 0.015 . 1 . . . . 17 LEU H . 6653 1
54 . 1 1 16 16 LEU C C 13 178.588 0.080 . 1 . . . . 17 LEU C . 6653 1
55 . 1 1 16 16 LEU CA C 13 58.553 0.310 . 1 . . . . 17 LEU CA . 6653 1
56 . 1 1 16 16 LEU CB C 13 41.690 0.310 . 1 . . . . 17 LEU CB . 6653 1
57 . 1 1 16 16 LEU N N 15 124.125 0.140 . 1 . . . . 17 LEU N . 6653 1
58 . 1 1 17 17 PHE H H 1 8.392 0.015 . 1 . . . . 18 PHE H . 6653 1
59 . 1 1 17 17 PHE C C 13 177.883 0.080 . 1 . . . . 18 PHE C . 6653 1
60 . 1 1 17 17 PHE CA C 13 61.236 0.310 . 1 . . . . 18 PHE CA . 6653 1
61 . 1 1 17 17 PHE CB C 13 39.412 0.310 . 1 . . . . 18 PHE CB . 6653 1
62 . 1 1 17 17 PHE N N 15 119.742 0.140 . 1 . . . . 18 PHE N . 6653 1
63 . 1 1 18 18 ASP H H 1 8.091 0.015 . 1 . . . . 19 ASP H . 6653 1
64 . 1 1 18 18 ASP C C 13 178.655 0.080 . 1 . . . . 19 ASP C . 6653 1
65 . 1 1 18 18 ASP CA C 13 57.693 0.310 . 1 . . . . 19 ASP CA . 6653 1
66 . 1 1 18 18 ASP CB C 13 41.488 0.310 . 1 . . . . 19 ASP CB . 6653 1
67 . 1 1 18 18 ASP N N 15 119.601 0.140 . 1 . . . . 19 ASP N . 6653 1
68 . 1 1 19 19 LEU H H 1 8.223 0.015 . 1 . . . . 20 LEU H . 6653 1
69 . 1 1 19 19 LEU C C 13 178.118 0.080 . 1 . . . . 20 LEU C . 6653 1
70 . 1 1 19 19 LEU CA C 13 58.705 0.310 . 1 . . . . 20 LEU CA . 6653 1
71 . 1 1 19 19 LEU CB C 13 41.994 0.310 . 1 . . . . 20 LEU CB . 6653 1
72 . 1 1 19 19 LEU N N 15 122.853 0.140 . 1 . . . . 20 LEU N . 6653 1
73 . 1 1 20 20 GLN H H 1 8.482 0.015 . 1 . . . . 21 GLN H . 6653 1
74 . 1 1 20 20 GLN C C 13 177.246 0.080 . 1 . . . . 21 GLN C . 6653 1
75 . 1 1 20 20 GLN CA C 13 60.629 0.310 . 1 . . . . 21 GLN CA . 6653 1
76 . 1 1 20 20 GLN CB C 13 28.323 0.310 . 1 . . . . 21 GLN CB . 6653 1
77 . 1 1 20 20 GLN N N 15 118.611 0.140 . 1 . . . . 21 GLN N . 6653 1
78 . 1 1 21 21 ARG H H 1 7.867 0.015 . 1 . . . . 22 ARG H . 6653 1
79 . 1 1 21 21 ARG C C 13 178.152 0.080 . 1 . . . . 22 ARG C . 6653 1
80 . 1 1 21 21 ARG CA C 13 59.616 0.310 . 1 . . . . 22 ARG CA . 6653 1
81 . 1 1 21 21 ARG CB C 13 30.045 0.310 . 1 . . . . 22 ARG CB . 6653 1
82 . 1 1 21 21 ARG N N 15 118.045 0.140 . 1 . . . . 22 ARG N . 6653 1
83 . 1 1 22 22 HIS H H 1 8.375 0.015 . 1 . . . . 23 HIS H . 6653 1
84 . 1 1 22 22 HIS C C 13 176.810 0.080 . 1 . . . . 23 HIS C . 6653 1
85 . 1 1 22 22 HIS CA C 13 58.958 0.310 . 1 . . . . 23 HIS CA . 6653 1
86 . 1 1 22 22 HIS CB C 13 29.083 0.310 . 1 . . . . 23 HIS CB . 6653 1
87 . 1 1 22 22 HIS N N 15 119.318 0.140 . 1 . . . . 23 HIS N . 6653 1
88 . 1 1 23 23 LEU H H 1 8.650 0.015 . 1 . . . . 24 LEU H . 6653 1
89 . 1 1 23 23 LEU C C 13 178.722 0.080 . 1 . . . . 24 LEU C . 6653 1
90 . 1 1 23 23 LEU CA C 13 58.958 0.310 . 1 . . . . 24 LEU CA . 6653 1
91 . 1 1 23 23 LEU CB C 13 42.602 0.310 . 1 . . . . 24 LEU CB . 6653 1
92 . 1 1 23 23 LEU N N 15 119.176 0.140 . 1 . . . . 24 LEU N . 6653 1
93 . 1 1 24 24 LEU H H 1 7.715 0.015 . 1 . . . . 25 LEU H . 6653 1
94 . 1 1 24 24 LEU C C 13 177.850 0.080 . 1 . . . . 25 LEU C . 6653 1
95 . 1 1 24 24 LEU CA C 13 57.895 0.310 . 1 . . . . 25 LEU CA . 6653 1
96 . 1 1 24 24 LEU CB C 13 41.944 0.310 . 1 . . . . 25 LEU CB . 6653 1
97 . 1 1 24 24 LEU N N 15 116.914 0.140 . 1 . . . . 25 LEU N . 6653 1
98 . 1 1 25 25 LYS H H 1 8.287 0.015 . 1 . . . . 26 LYS H . 6653 1
99 . 1 1 25 25 LYS C C 13 177.715 0.080 . 1 . . . . 26 LYS C . 6653 1
100 . 1 1 25 25 LYS CA C 13 58.300 0.310 . 1 . . . . 26 LYS CA . 6653 1
101 . 1 1 25 25 LYS CB C 13 33.640 0.310 . 1 . . . . 26 LYS CB . 6653 1
102 . 1 1 25 25 LYS N N 15 117.762 0.140 . 1 . . . . 26 LYS N . 6653 1
103 . 1 1 26 26 ASP H H 1 8.074 0.015 . 1 . . . . 27 ASP H . 6653 1
104 . 1 1 26 26 ASP CA C 13 55.869 0.310 . 1 . . . . 27 ASP CA . 6653 1
105 . 1 1 26 26 ASP CB C 13 40.779 0.310 . 1 . . . . 27 ASP CB . 6653 1
106 . 1 1 26 26 ASP N N 15 114.793 0.140 . 1 . . . . 27 ASP N . 6653 1
107 . 1 1 30 30 GLN C C 13 176.072 0.080 . 1 . . . . 31 GLN C . 6653 1
108 . 1 1 30 30 GLN CA C 13 56.375 0.310 . 1 . . . . 31 GLN CA . 6653 1
109 . 1 1 30 30 GLN CB C 13 29.842 0.310 . 1 . . . . 31 GLN CB . 6653 1
110 . 1 1 31 31 ASP H H 1 8.299 0.015 . 1 . . . . 32 ASP H . 6653 1
111 . 1 1 31 31 ASP C C 13 176.072 0.080 . 1 . . . . 32 ASP C . 6653 1
112 . 1 1 31 31 ASP CA C 13 55.261 0.310 . 1 . . . . 32 ASP CA . 6653 1
113 . 1 1 31 31 ASP CB C 13 41.387 0.310 . 1 . . . . 32 ASP CB . 6653 1
114 . 1 1 31 31 ASP N N 15 120.025 0.140 . 1 . . . . 32 ASP N . 6653 1
115 . 1 1 32 32 PHE H H 1 7.937 0.015 . 1 . . . . 33 PHE H . 6653 1
116 . 1 1 32 32 PHE C C 13 175.200 0.080 . 1 . . . . 33 PHE C . 6653 1
117 . 1 1 32 32 PHE CA C 13 57.743 0.310 . 1 . . . . 33 PHE CA . 6653 1
118 . 1 1 32 32 PHE CB C 13 39.614 0.310 . 1 . . . . 33 PHE CB . 6653 1
119 . 1 1 32 32 PHE N N 15 119.569 0.140 . 1 . . . . 33 PHE N . 6653 1
120 . 1 1 33 33 LYS H H 1 7.948 0.015 . 1 . . . . 34 LYS H . 6653 1
121 . 1 1 33 33 LYS C C 13 175.770 0.080 . 1 . . . . 34 LYS C . 6653 1
122 . 1 1 33 33 LYS CA C 13 56.426 0.310 . 1 . . . . 34 LYS CA . 6653 1
123 . 1 1 33 33 LYS CB C 13 33.285 0.310 . 1 . . . . 34 LYS CB . 6653 1
124 . 1 1 33 33 LYS N N 15 122.004 0.140 . 1 . . . . 34 LYS N . 6653 1
125 . 1 1 34 34 HIS H H 1 8.402 0.015 . 1 . . . . 35 HIS H . 6653 1
126 . 1 1 34 34 HIS CA C 13 54.654 0.310 . 1 . . . . 35 HIS CA . 6653 1
127 . 1 1 34 34 HIS CB C 13 30.551 0.310 . 1 . . . . 35 HIS CB . 6653 1
128 . 1 1 34 34 HIS N N 15 122.004 0.140 . 1 . . . . 35 HIS N . 6653 1
129 . 1 1 35 35 PRO C C 13 176.877 0.080 . 1 . . . . 36 PRO C . 6653 1
130 . 1 1 35 35 PRO CA C 13 63.650 0.310 . 1 . . . . 36 PRO CA . 6653 1
131 . 1 1 35 35 PRO CB C 13 32.500 0.310 . 1 . . . . 36 PRO CB . 6653 1
132 . 1 1 36 36 MET H H 1 8.781 0.015 . 1 . . . . 37 MET H . 6653 1
133 . 1 1 36 36 MET C C 13 174.764 0.080 . 1 . . . . 37 MET C . 6653 1
134 . 1 1 36 36 MET CA C 13 55.603 0.310 . 1 . . . . 37 MET CA . 6653 1
135 . 1 1 36 36 MET CB C 13 33.187 0.310 . 1 . . . . 37 MET CB . 6653 1
136 . 1 1 36 36 MET N N 15 120.314 0.140 . 1 . . . . 37 MET N . 6653 1
137 . 1 1 37 37 GLU H H 1 7.928 0.015 . 1 . . . . 38 GLU H . 6653 1
138 . 1 1 37 37 GLU C C 13 175.133 0.080 . 1 . . . . 38 GLU C . 6653 1
139 . 1 1 37 37 GLU CA C 13 54.046 0.310 . 1 . . . . 38 GLU CA . 6653 1
140 . 1 1 37 37 GLU CB C 13 32.272 0.310 . 1 . . . . 38 GLU CB . 6653 1
141 . 1 1 37 37 GLU N N 15 121.015 0.140 . 1 . . . . 38 GLU N . 6653 1
stop_
save_