Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 51497
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name NHR2
_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 .
_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 TROSY' . . . 51497 1
2 '3D CBCACONH' . . . 51497 1
3 '3D CBCA(CO)NH' . . . 51497 1
4 '3D HNCO' . . . 51497 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 . . 51497 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_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 1 1 GLN H H 1 7.83 . . . . . . . . 485 GLN HN . 51497 1
2 . 1 . 1 1 1 GLN C C 13 170.943 . . . . . . . . 485 GLN CO . 51497 1
3 . 1 . 1 1 1 GLN CA C 13 59.301 . . . . . . . . 485 GLN CA . 51497 1
4 . 1 . 1 1 1 GLN CB C 13 27.053 . . . . . . . . 485 GLN CB . 51497 1
5 . 1 . 1 1 1 GLN N N 15 126.059 . . . . . . . . 485 GLN N . 51497 1
6 . 1 . 1 2 2 GLU H H 1 8.432 . . . . . . . . 486 GLU HN . 51497 1
7 . 1 . 1 2 2 GLU C C 13 177.847 . . . . . . . . 486 GLU CO . 51497 1
8 . 1 . 1 2 2 GLU CA C 13 56.296 . . . . . . . . 486 GLU CA . 51497 1
9 . 1 . 1 2 2 GLU CB C 13 29.237 . . . . . . . . 486 GLU CB . 51497 1
10 . 1 . 1 2 2 GLU N N 15 121.365 . . . . . . . . 486 GLU N . 51497 1
11 . 1 . 1 3 3 GLU H H 1 8.489 . . . . . . . . 487 GLU HN . 51497 1
12 . 1 . 1 3 3 GLU C C 13 176.34 . . . . . . . . 487 GLU CO . 51497 1
13 . 1 . 1 3 3 GLU CA C 13 56.159 . . . . . . . . 487 GLU CA . 51497 1
14 . 1 . 1 3 3 GLU CB C 13 29.251 . . . . . . . . 487 GLU CB . 51497 1
15 . 1 . 1 3 3 GLU N N 15 121.876 . . . . . . . . 487 GLU N . 51497 1
16 . 1 . 1 4 4 MET H H 1 8.217 . . . . . . . . 488 MET HN . 51497 1
17 . 1 . 1 4 4 MET C C 13 176.172 . . . . . . . . 488 MET CO . 51497 1
18 . 1 . 1 4 4 MET CA C 13 54.95 . . . . . . . . 488 MET CA . 51497 1
19 . 1 . 1 4 4 MET CB C 13 32.065 . . . . . . . . 488 MET CB . 51497 1
20 . 1 . 1 4 4 MET N N 15 121.76 . . . . . . . . 488 MET N . 51497 1
21 . 1 . 1 5 5 ILE H H 1 7.903 . . . . . . . . 489 ILE HN . 51497 1
22 . 1 . 1 5 5 ILE C C 13 175.787 . . . . . . . . 489 ILE CO . 51497 1
23 . 1 . 1 5 5 ILE CA C 13 60.406 . . . . . . . . 489 ILE CA . 51497 1
24 . 1 . 1 5 5 ILE CB C 13 37.915 . . . . . . . . 489 ILE CB . 51497 1
25 . 1 . 1 5 5 ILE N N 15 122.125 . . . . . . . . 489 ILE N . 51497 1
26 . 1 . 1 6 6 ASP H H 1 8.223 . . . . . . . . 490 ASP HN . 51497 1
27 . 1 . 1 6 6 ASP C C 13 175.777 . . . . . . . . 490 ASP CO . 51497 1
28 . 1 . 1 6 6 ASP CA C 13 54.111 . . . . . . . . 490 ASP CA . 51497 1
29 . 1 . 1 6 6 ASP CB C 13 40.75 . . . . . . . . 490 ASP CB . 51497 1
30 . 1 . 1 6 6 ASP N N 15 124.825 . . . . . . . . 490 ASP N . 51497 1
31 . 1 . 1 7 7 HIS H H 1 7.678 . . . . . . . . 491 HIS HN . 51497 1
32 . 1 . 1 7 7 HIS C C 13 175.428 . . . . . . . . 491 HIS CO . 51497 1
33 . 1 . 1 7 7 HIS CA C 13 54.384 . . . . . . . . 491 HIS CA . 51497 1
34 . 1 . 1 7 7 HIS CB C 13 29.195 . . . . . . . . 491 HIS CB . 51497 1
35 . 1 . 1 7 7 HIS N N 15 117.015 . . . . . . . . 491 HIS N . 51497 1
36 . 1 . 1 8 8 ARG H H 1 8.231 . . . . . . . . 492 ARG HN . 51497 1
37 . 1 . 1 8 8 ARG C C 13 173.158 . . . . . . . . 492 ARG C . 51497 1
38 . 1 . 1 8 8 ARG CA C 13 54.657 . . . . . . . . 492 ARG CA . 51497 1
39 . 1 . 1 8 8 ARG CB C 13 29.151 . . . . . . . . 492 ARG CB . 51497 1
40 . 1 . 1 8 8 ARG N N 15 123.033 . . . . . . . . 492 ARG N . 51497 1
41 . 1 . 1 9 9 LEU H H 1 7.998 . . . . . . . . 493 LEU HN . 51497 1
42 . 1 . 1 9 9 LEU C C 13 175.999 . . . . . . . . 493 LEU C . 51497 1
43 . 1 . 1 9 9 LEU CA C 13 54.454 . . . . . . . . 493 LEU CA . 51497 1
44 . 1 . 1 9 9 LEU CB C 13 40.207 . . . . . . . . 493 LEU CB . 51497 1
45 . 1 . 1 9 9 LEU N N 15 125.608 . . . . . . . . 493 LEU N . 51497 1
46 . 1 . 1 10 10 THR H H 1 9.063 . . . . . . . . 494 THR HN . 51497 1
47 . 1 . 1 10 10 THR C C 13 179.202 . . . . . . . . 494 THR CO . 51497 1
48 . 1 . 1 10 10 THR CA C 13 60.739 . . . . . . . . 494 THR CA . 51497 1
49 . 1 . 1 10 10 THR CB C 13 70.697 . . . . . . . . 494 THR CB . 51497 1
50 . 1 . 1 10 10 THR N N 15 114.507 . . . . . . . . 494 THR N . 51497 1
51 . 1 . 1 11 11 ASP H H 1 8.891 . . . . . . . . 495 ASP HN . 51497 1
52 . 1 . 1 11 11 ASP C C 13 175.385 . . . . . . . . 495 ASP CO . 51497 1
53 . 1 . 1 11 11 ASP CA C 13 58.294 . . . . . . . . 495 ASP CA . 51497 1
54 . 1 . 1 11 11 ASP CB C 13 39.089 . . . . . . . . 495 ASP CB . 51497 1
55 . 1 . 1 11 11 ASP N N 15 121.09 . . . . . . . . 495 ASP N . 51497 1
56 . 1 . 1 35 35 THR H H 1 7.803 . . . . . . . . 519 THR HN . 51497 1
57 . 1 . 1 35 35 THR C C 13 178.609 . . . . . . . . 519 THR C . 51497 1
58 . 1 . 1 35 35 THR CA C 13 66.42 . . . . . . . . 519 THR CA . 51497 1
59 . 1 . 1 35 35 THR CB C 13 68.374 . . . . . . . . 519 THR CB . 51497 1
60 . 1 . 1 35 35 THR N N 15 116.297 . . . . . . . . 519 THR N . 51497 1
61 . 1 . 1 60 60 TYR H H 1 7.806 . . . . . . . . 544 TYR HN . 51497 1
62 . 1 . 1 60 60 TYR C C 13 178.244 . . . . . . . . 544 TYR CO . 51497 1
63 . 1 . 1 60 60 TYR CA C 13 59.745 . . . . . . . . 544 TYR CA . 51497 1
64 . 1 . 1 60 60 TYR CB C 13 38.545 . . . . . . . . 544 TYR CB . 51497 1
65 . 1 . 1 60 60 TYR N N 15 116.716 . . . . . . . . 544 TYR N . 51497 1
66 . 1 . 1 61 61 SER H H 1 7.901 . . . . . . . . 545 SER HN . 51497 1
67 . 1 . 1 61 61 SER C C 13 176.667 . . . . . . . . 545 SER CO . 51497 1
68 . 1 . 1 61 61 SER CA C 13 60.12 . . . . . . . . 545 SER CA . 51497 1
69 . 1 . 1 61 61 SER CB C 13 63.293 . . . . . . . . 545 SER CB . 51497 1
70 . 1 . 1 61 61 SER N N 15 116.054 . . . . . . . . 545 SER N . 51497 1
71 . 1 . 1 62 62 ASP H H 1 8.317 . . . . . . . . 546 ASP HN . 51497 1
72 . 1 . 1 62 62 ASP C C 13 175.236 . . . . . . . . 546 ASP CO . 51497 1
73 . 1 . 1 62 62 ASP CA C 13 54.657 . . . . . . . . 546 ASP CA . 51497 1
74 . 1 . 1 62 62 ASP CB C 13 40.238 . . . . . . . . 546 ASP CB . 51497 1
75 . 1 . 1 62 62 ASP N N 15 121.902 . . . . . . . . 546 ASP N . 51497 1
76 . 1 . 1 63 63 ALA H H 1 7.828 . . . . . . . . 547 ALA HN . 51497 1
77 . 1 . 1 63 63 ALA C C 13 176.706 . . . . . . . . 547 ALA CO . 51497 1
78 . 1 . 1 63 63 ALA CA C 13 52.788 . . . . . . . . 547 ALA CA . 51497 1
79 . 1 . 1 63 63 ALA CB C 13 18.473 . . . . . . . . 547 ALA CB . 51497 1
80 . 1 . 1 63 63 ALA N N 15 123.513 . . . . . . . . 547 ALA N . 51497 1
81 . 1 . 1 64 64 GLU H H 1 8.155 . . . . . . . . 548 GLU HN . 51497 1
82 . 1 . 1 64 64 GLU C C 13 178.627 . . . . . . . . 548 GLU CO . 51497 1
83 . 1 . 1 64 64 GLU CA C 13 56.849 . . . . . . . . 548 GLU CA . 51497 1
84 . 1 . 1 64 64 GLU CB C 13 29.301 . . . . . . . . 548 GLU CB . 51497 1
85 . 1 . 1 64 64 GLU N N 15 119.675 . . . . . . . . 548 GLU N . 51497 1
86 . 1 . 1 65 65 ASP H H 1 8.156 . . . . . . . . 549 ASP HN . 51497 1
87 . 1 . 1 65 65 ASP C C 13 176.986 . . . . . . . . 549 ASP CO . 51497 1
88 . 1 . 1 65 65 ASP CA C 13 54.384 . . . . . . . . 549 ASP CA . 51497 1
89 . 1 . 1 65 65 ASP CB C 13 40.452 . . . . . . . . 549 ASP CB . 51497 1
90 . 1 . 1 65 65 ASP N N 15 120.481 . . . . . . . . 549 ASP N . 51497 1
91 . 1 . 1 66 66 LEU H H 1 7.799 . . . . . . . . 550 LEU NH . 51497 1
92 . 1 . 1 66 66 LEU C C 13 176.381 . . . . . . . . 550 LEU CO . 51497 1
93 . 1 . 1 66 66 LEU CA C 13 54.93 . . . . . . . . 550 LEU CA . 51497 1
94 . 1 . 1 66 66 LEU CB C 13 41.271 . . . . . . . . 550 LEU CB . 51497 1
95 . 1 . 1 66 66 LEU N N 15 121.52 . . . . . . . . 550 LEU N . 51497 1
96 . 1 . 1 67 67 LYS H H 1 7.975 . . . . . . . . 551 LYS NH . 51497 1
97 . 1 . 1 67 67 LYS C C 13 177.356 . . . . . . . . 551 LYS CO . 51497 1
98 . 1 . 1 67 67 LYS CA C 13 55.859 . . . . . . . . 551 LYS CA . 51497 1
99 . 1 . 1 67 67 LYS CB C 13 31.71 . . . . . . . . 551 LYS CB . 51497 1
100 . 1 . 1 67 67 LYS N N 15 122.167 . . . . . . . . 551 LYS N . 51497 1
101 . 1 . 1 68 68 LYS H H 1 7.687 . . . . . . . . 552 LYS NH . 51497 1
102 . 1 . 1 68 68 LYS C C 13 175.605 . . . . . . . . 552 LYS CO . 51497 1
103 . 1 . 1 68 68 LYS CA C 13 57.197 . . . . . . . . 552 LYS CA . 51497 1
104 . 1 . 1 68 68 LYS CB C 13 32.872 . . . . . . . . 552 LYS CB . 51497 1
105 . 1 . 1 68 68 LYS N N 15 128.063 . . . . . . . . 552 LYS N . 51497 1
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save_