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 6568
_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
5 '2D 1H-15N HSQC' 1 $sample_1 isotropic 6568 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 $NMRPipe . . 6568 1
2 $Sparky . . 6568 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.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 3 3 ALA H H 1 8.534 . . 1 . . . . 459 ALA H . 6568 1
2 . 1 1 3 3 ALA N N 15 123.560 . . 1 . . . . 459 ALA N . 6568 1
3 . 1 1 4 4 SER H H 1 8.882 . . 1 . . . . 460 SER H . 6568 1
4 . 1 1 4 4 SER N N 15 118.485 . . 1 . . . . 460 SER N . 6568 1
5 . 1 1 5 5 ARG H H 1 9.103 . . 1 . . . . 461 ARG H . 6568 1
6 . 1 1 5 5 ARG N N 15 122.083 . . 1 . . . . 461 ARG N . 6568 1
7 . 1 1 6 6 SER H H 1 8.361 . . 1 . . . . 462 SER H . 6568 1
8 . 1 1 6 6 SER N N 15 112.778 . . 1 . . . . 462 SER N . 6568 1
9 . 1 1 7 7 VAL H H 1 7.567 . . 1 . . . . 463 VAL H . 6568 1
10 . 1 1 7 7 VAL N N 15 125.237 . . 1 . . . . 463 VAL N . 6568 1
11 . 1 1 8 8 ILE H H 1 8.255 . . 1 . . . . 464 ILE H . 6568 1
12 . 1 1 8 8 ILE N N 15 120.892 . . 1 . . . . 464 ILE N . 6568 1
13 . 1 1 9 9 ARG H H 1 8.562 . . 1 . . . . 465 ARG H . 6568 1
14 . 1 1 9 9 ARG N N 15 119.589 . . 1 . . . . 465 ARG N . 6568 1
15 . 1 1 10 10 SER H H 1 7.763 . . 1 . . . . 466 SER H . 6568 1
16 . 1 1 10 10 SER N N 15 114.019 . . 1 . . . . 466 SER N . 6568 1
17 . 1 1 11 11 ILE H H 1 8.181 . . 1 . . . . 467 ILE H . 6568 1
18 . 1 1 11 11 ILE N N 15 124.678 . . 1 . . . . 467 ILE N . 6568 1
19 . 1 1 12 12 ILE H H 1 7.987 . . 1 . . . . 468 ILE H . 6568 1
20 . 1 1 12 12 ILE N N 15 118.491 . . 1 . . . . 468 ILE N . 6568 1
21 . 1 1 13 13 LYS H H 1 8.526 . . 1 . . . . 469 LYS H . 6568 1
22 . 1 1 13 13 LYS N N 15 119.584 . . 1 . . . . 469 LYS N . 6568 1
23 . 1 1 14 14 SER H H 1 8.080 . . 1 . . . . 470 SER H . 6568 1
24 . 1 1 14 14 SER N N 15 111.627 . . 1 . . . . 470 SER N . 6568 1
25 . 1 1 15 15 SER H H 1 7.439 . . 1 . . . . 471 SER H . 6568 1
26 . 1 1 15 15 SER N N 15 118.069 . . 1 . . . . 471 SER N . 6568 1
27 . 1 1 16 16 ARG H H 1 9.006 . . 1 . . . . 472 ARG H . 6568 1
28 . 1 1 16 16 ARG N N 15 117.665 . . 1 . . . . 472 ARG N . 6568 1
29 . 1 1 17 17 LEU H H 1 7.038 . . 1 . . . . 473 LEU H . 6568 1
30 . 1 1 17 17 LEU N N 15 119.235 . . 1 . . . . 473 LEU N . 6568 1
31 . 1 1 18 18 GLU H H 1 8.941 . . 1 . . . . 474 GLU H . 6568 1
32 . 1 1 18 18 GLU N N 15 119.909 . . 1 . . . . 474 GLU N . 6568 1
33 . 1 1 19 19 GLU H H 1 9.070 . . 1 . . . . 475 GLU H . 6568 1
34 . 1 1 19 19 GLU N N 15 123.034 . . 1 . . . . 475 GLU N . 6568 1
35 . 1 1 20 20 ASP H H 1 9.073 . . 1 . . . . 476 ASP H . 6568 1
36 . 1 1 20 20 ASP N N 15 116.987 . . 1 . . . . 476 ASP N . 6568 1
37 . 1 1 21 21 ARG H H 1 7.333 . . 1 . . . . 477 ARG H . 6568 1
38 . 1 1 21 21 ARG N N 15 122.124 . . 1 . . . . 477 ARG N . 6568 1
39 . 1 1 22 22 LYS H H 1 8.258 . . 1 . . . . 478 LYS H . 6568 1
40 . 1 1 22 22 LYS N N 15 118.924 . . 1 . . . . 478 LYS N . 6568 1
41 . 1 1 23 23 ARG H H 1 8.101 . . 1 . . . . 479 ARG H . 6568 1
42 . 1 1 23 23 ARG N N 15 117.166 . . 1 . . . . 479 ARG N . 6568 1
43 . 1 1 24 24 TYR H H 1 7.861 . . 1 . . . . 480 TYR H . 6568 1
44 . 1 1 24 24 TYR N N 15 121.121 . . 1 . . . . 480 TYR N . 6568 1
45 . 1 1 25 25 LEU H H 1 8.488 . . 1 . . . . 481 LEU H . 6568 1
46 . 1 1 25 25 LEU N N 15 119.499 . . 1 . . . . 481 LEU N . 6568 1
47 . 1 1 26 26 MET H H 1 8.539 . . 1 . . . . 482 MET H . 6568 1
48 . 1 1 26 26 MET N N 15 117.652 . . 1 . . . . 482 MET N . 6568 1
49 . 1 1 27 27 THR H H 1 7.917 . . 1 . . . . 483 THR H . 6568 1
50 . 1 1 27 27 THR N N 15 115.743 . . 1 . . . . 483 THR N . 6568 1
51 . 1 1 28 28 LEU H H 1 7.605 . . 1 . . . . 484 LEU H . 6568 1
52 . 1 1 28 28 LEU N N 15 122.046 . . 1 . . . . 484 LEU N . 6568 1
53 . 1 1 29 29 LEU H H 1 7.885 . . 1 . . . . 485 LEU H . 6568 1
54 . 1 1 29 29 LEU N N 15 119.992 . . 1 . . . . 485 LEU N . 6568 1
55 . 1 1 30 30 ASP H H 1 7.631 . . 1 . . . . 486 ASP H . 6568 1
56 . 1 1 30 30 ASP N N 15 117.212 . . 1 . . . . 486 ASP N . 6568 1
57 . 1 1 31 31 ASP N N 15 117.681 . . 1 . . . . 487 ASP N . 6568 1
58 . 1 1 32 32 ILE H H 1 7.389 . . 1 . . . . 488 ILE H . 6568 1
59 . 1 1 32 32 ILE N N 15 121.449 . . 1 . . . . 488 ILE N . 6568 1
60 . 1 1 33 33 LYS H H 1 9.144 . . 1 . . . . 489 LYS H . 6568 1
61 . 1 1 33 33 LYS N N 15 128.444 . . 1 . . . . 489 LYS N . 6568 1
62 . 1 1 34 34 GLY H H 1 8.315 . . 1 . . . . 490 GLY H . 6568 1
63 . 1 1 34 34 GLY N N 15 109.508 . . 1 . . . . 490 GLY N . 6568 1
64 . 1 1 35 35 ALA H H 1 8.160 . . 1 . . . . 491 ALA H . 6568 1
65 . 1 1 35 35 ALA N N 15 123.987 . . 1 . . . . 491 ALA N . 6568 1
66 . 1 1 36 36 ASN H H 1 7.942 . . 1 . . . . 492 ASN H . 6568 1
67 . 1 1 36 36 ASN N N 15 115.895 . . 1 . . . . 492 ASN N . 6568 1
68 . 1 1 37 37 ASP H H 1 8.433 . . 1 . . . . 493 ASP H . 6568 1
69 . 1 1 37 37 ASP N N 15 121.482 . . 1 . . . . 493 ASP N . 6568 1
70 . 1 1 38 38 LEU H H 1 8.206 . . 1 . . . . 494 LEU H . 6568 1
71 . 1 1 38 38 LEU N N 15 123.941 . . 1 . . . . 494 LEU N . 6568 1
72 . 1 1 39 39 ALA H H 1 7.922 . . 1 . . . . 495 ALA H . 6568 1
73 . 1 1 39 39 ALA N N 15 121.673 . . 1 . . . . 495 ALA N . 6568 1
74 . 1 1 40 40 LYS H H 1 7.888 . . 1 . . . . 496 LYS H . 6568 1
75 . 1 1 40 40 LYS N N 15 118.950 . . 1 . . . . 496 LYS N . 6568 1
76 . 1 1 41 41 PHE H H 1 8.282 . . 1 . . . . 497 PHE H . 6568 1
77 . 1 1 41 41 PHE N N 15 122.811 . . 1 . . . . 497 PHE N . 6568 1
78 . 1 1 42 42 HIS H H 1 8.894 . . 1 . . . . 498 HIS H . 6568 1
79 . 1 1 42 42 HIS N N 15 119.751 . . 1 . . . . 498 HIS N . 6568 1
80 . 1 1 43 43 GLN H H 1 8.014 . . 1 . . . . 499 GLN H . 6568 1
81 . 1 1 43 43 GLN N N 15 116.796 . . 1 . . . . 499 GLN N . 6568 1
82 . 1 1 44 44 MET H H 1 7.780 . . 1 . . . . 500 MET H . 6568 1
83 . 1 1 44 44 MET N N 15 120.785 . . 1 . . . . 500 MET N . 6568 1
84 . 1 1 45 45 LEU H H 1 8.520 . . 1 . . . . 501 LEU H . 6568 1
85 . 1 1 45 45 LEU N N 15 121.206 . . 1 . . . . 501 LEU N . 6568 1
86 . 1 1 46 46 MET H H 1 8.002 . . 1 . . . . 502 MET H . 6568 1
87 . 1 1 46 46 MET N N 15 114.735 . . 1 . . . . 502 MET N . 6568 1
88 . 1 1 47 47 LYS H H 1 7.322 . . 1 . . . . 503 LYS H . 6568 1
89 . 1 1 47 47 LYS N N 15 117.072 . . 1 . . . . 503 LYS N . 6568 1
90 . 1 1 48 48 ILE H H 1 7.621 . . 1 . . . . 504 ILE H . 6568 1
91 . 1 1 48 48 ILE N N 15 116.786 . . 1 . . . . 504 ILE N . 6568 1
92 . 1 1 49 49 ILE H H 1 7.889 . . 1 . . . . 505 ILE H . 6568 1
93 . 1 1 49 49 ILE N N 15 115.998 . . 1 . . . . 505 ILE N . 6568 1
94 . 1 1 50 50 MET H H 1 7.734 . . 1 . . . . 506 MET H . 6568 1
95 . 1 1 50 50 MET N N 15 120.329 . . 1 . . . . 506 MET N . 6568 1
96 . 1 1 51 51 LYS H H 1 7.621 . . 1 . . . . 507 LYS H . 6568 1
97 . 1 1 51 51 LYS N N 15 126.598 . . 1 . . . . 507 LYS N . 6568 1
stop_
save_