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 50024
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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-13C HMQC' . . . 50024 1
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 . 1 375 375 ILE HD11 H 1 0.276 0.000 . . . . . . . 375 ILE HD1 . 50024 1
2 . 1 . 1 375 375 ILE HD12 H 1 0.276 0.000 . . . . . . . 375 ILE HD1 . 50024 1
3 . 1 . 1 375 375 ILE HD13 H 1 0.276 0.000 . . . . . . . 375 ILE HD1 . 50024 1
4 . 1 . 1 375 375 ILE CD1 C 13 10.193 0.000 . . . . . . . 375 ILE CD1 . 50024 1
5 . 1 . 1 382 382 ILE HD11 H 1 1.286 0.000 . . . . . . . 382 ILE HD1 . 50024 1
6 . 1 . 1 382 382 ILE HD12 H 1 1.286 0.000 . . . . . . . 382 ILE HD1 . 50024 1
7 . 1 . 1 382 382 ILE HD13 H 1 1.286 0.000 . . . . . . . 382 ILE HD1 . 50024 1
8 . 1 . 1 382 382 ILE CD1 C 13 13.529 0.000 . . . . . . . 382 ILE CD1 . 50024 1
9 . 1 . 1 390 390 ILE HD11 H 1 0.970 0.000 . . . . . . . 390 ILE HD1 . 50024 1
10 . 1 . 1 390 390 ILE HD12 H 1 0.970 0.000 . . . . . . . 390 ILE HD1 . 50024 1
11 . 1 . 1 390 390 ILE HD13 H 1 0.970 0.000 . . . . . . . 390 ILE HD1 . 50024 1
12 . 1 . 1 390 390 ILE CD1 C 13 8.655 0.000 . . . . . . . 390 ILE CD1 . 50024 1
13 . 1 . 1 391 391 MET HE1 H 1 1.561 0.000 . . . . . . . 391 MET HE . 50024 1
14 . 1 . 1 391 391 MET HE2 H 1 1.561 0.000 . . . . . . . 391 MET HE . 50024 1
15 . 1 . 1 391 391 MET HE3 H 1 1.561 0.000 . . . . . . . 391 MET HE . 50024 1
16 . 1 . 1 391 391 MET CE C 13 11.813 0.000 . . . . . . . 391 MET CE . 50024 1
17 . 1 . 1 393 393 MET HE1 H 1 1.978 0.000 . . . . . . . 393 MET HE . 50024 1
18 . 1 . 1 393 393 MET HE2 H 1 1.978 0.000 . . . . . . . 393 MET HE . 50024 1
19 . 1 . 1 393 393 MET HE3 H 1 1.978 0.000 . . . . . . . 393 MET HE . 50024 1
20 . 1 . 1 393 393 MET CE C 13 15.978 0.000 . . . . . . . 393 MET CE . 50024 1
21 . 1 . 1 403 403 MET HE1 H 1 1.508 0.000 . . . . . . . 403 MET HE . 50024 1
22 . 1 . 1 403 403 MET HE2 H 1 1.508 0.000 . . . . . . . 403 MET HE . 50024 1
23 . 1 . 1 403 403 MET HE3 H 1 1.508 0.000 . . . . . . . 403 MET HE . 50024 1
24 . 1 . 1 403 403 MET CE C 13 13.875 0.000 . . . . . . . 403 MET CE . 50024 1
25 . 1 . 1 429 429 MET HE1 H 1 1.901 0.000 . . . . . . . 429 MET HE . 50024 1
26 . 1 . 1 429 429 MET HE2 H 1 1.901 0.000 . . . . . . . 429 MET HE . 50024 1
27 . 1 . 1 429 429 MET HE3 H 1 1.901 0.000 . . . . . . . 429 MET HE . 50024 1
28 . 1 . 1 429 429 MET CE C 13 15.405 0.000 . . . . . . . 429 MET CE . 50024 1
29 . 1 . 1 444 444 ILE HD11 H 1 0.551 0.000 . . . . . . . 444 ILE HD1 . 50024 1
30 . 1 . 1 444 444 ILE HD12 H 1 0.551 0.000 . . . . . . . 444 ILE HD1 . 50024 1
31 . 1 . 1 444 444 ILE HD13 H 1 0.551 0.000 . . . . . . . 444 ILE HD1 . 50024 1
32 . 1 . 1 444 444 ILE CD1 C 13 10.791 0.000 . . . . . . . 444 ILE CD1 . 50024 1
33 . 1 . 1 446 446 MET HE1 H 1 2.168 0.000 . . . . . . . 446 MET HE . 50024 1
34 . 1 . 1 446 446 MET HE2 H 1 2.168 0.000 . . . . . . . 446 MET HE . 50024 1
35 . 1 . 1 446 446 MET HE3 H 1 2.168 0.000 . . . . . . . 446 MET HE . 50024 1
36 . 1 . 1 446 446 MET CE C 13 15.449 0.000 . . . . . . . 446 MET CE . 50024 1
37 . 1 . 1 449 449 ILE HD11 H 1 0.822 0.000 . . . . . . . 449 ILE HD1 . 50024 1
38 . 1 . 1 449 449 ILE HD12 H 1 0.822 0.000 . . . . . . . 449 ILE HD1 . 50024 1
39 . 1 . 1 449 449 ILE HD13 H 1 0.822 0.000 . . . . . . . 449 ILE HD1 . 50024 1
40 . 1 . 1 449 449 ILE CD1 C 13 10.545 0.000 . . . . . . . 449 ILE CD1 . 50024 1
41 . 1 . 1 455 455 ILE HD11 H 1 0.843 0.000 . . . . . . . 455 ILE HD1 . 50024 1
42 . 1 . 1 455 455 ILE HD12 H 1 0.843 0.000 . . . . . . . 455 ILE HD1 . 50024 1
43 . 1 . 1 455 455 ILE HD13 H 1 0.843 0.000 . . . . . . . 455 ILE HD1 . 50024 1
44 . 1 . 1 455 455 ILE CD1 C 13 10.673 0.000 . . . . . . . 455 ILE CD1 . 50024 1
45 . 1 . 1 469 469 ILE HD11 H 1 0.464 0.000 . . . . . . . 469 ILE HD1 . 50024 1
46 . 1 . 1 469 469 ILE HD12 H 1 0.464 0.000 . . . . . . . 469 ILE HD1 . 50024 1
47 . 1 . 1 469 469 ILE HD13 H 1 0.464 0.000 . . . . . . . 469 ILE HD1 . 50024 1
48 . 1 . 1 469 469 ILE CD1 C 13 22.676 0.000 . . . . . . . 469 ILE CD1 . 50024 1
49 . 1 . 1 470 470 MET HE1 H 1 1.724 0.000 . . . . . . . 470 MET HE . 50024 1
50 . 1 . 1 470 470 MET HE2 H 1 1.724 0.000 . . . . . . . 470 MET HE . 50024 1
51 . 1 . 1 470 470 MET HE3 H 1 1.724 0.000 . . . . . . . 470 MET HE . 50024 1
52 . 1 . 1 470 470 MET CE C 13 14.131 0.000 . . . . . . . 470 MET CE . 50024 1
53 . 1 . 1 480 480 ILE HD11 H 1 0.697 0.000 . . . . . . . 480 ILE HD1 . 50024 1
54 . 1 . 1 480 480 ILE HD12 H 1 0.697 0.000 . . . . . . . 480 ILE HD1 . 50024 1
55 . 1 . 1 480 480 ILE HD13 H 1 0.697 0.000 . . . . . . . 480 ILE HD1 . 50024 1
56 . 1 . 1 480 480 ILE CD1 C 13 8.754 0.000 . . . . . . . 480 ILE CD1 . 50024 1
57 . 1 . 1 497 497 ILE HD11 H 1 0.493 0.000 . . . . . . . 497 ILE HD1 . 50024 1
58 . 1 . 1 497 497 ILE HD12 H 1 0.493 0.000 . . . . . . . 497 ILE HD1 . 50024 1
59 . 1 . 1 497 497 ILE HD13 H 1 0.493 0.000 . . . . . . . 497 ILE HD1 . 50024 1
60 . 1 . 1 497 497 ILE CD1 C 13 9.364 0.000 . . . . . . . 497 ILE CD1 . 50024 1
61 . 1 . 1 516 516 ILE HD11 H 1 0.947 0.000 . . . . . . . 516 ILE HD1 . 50024 1
62 . 1 . 1 516 516 ILE HD12 H 1 0.947 0.000 . . . . . . . 516 ILE HD1 . 50024 1
63 . 1 . 1 516 516 ILE HD13 H 1 0.947 0.000 . . . . . . . 516 ILE HD1 . 50024 1
64 . 1 . 1 516 516 ILE CD1 C 13 10.727 0.000 . . . . . . . 516 ILE CD1 . 50024 1
65 . 1 . 1 539 539 ILE HD11 H 1 0.742 0.000 . . . . . . . 539 ILE HD1 . 50024 1
66 . 1 . 1 539 539 ILE HD12 H 1 0.742 0.000 . . . . . . . 539 ILE HD1 . 50024 1
67 . 1 . 1 539 539 ILE HD13 H 1 0.742 0.000 . . . . . . . 539 ILE HD1 . 50024 1
68 . 1 . 1 539 539 ILE CD1 C 13 9.063 0.000 . . . . . . . 539 ILE CD1 . 50024 1
69 . 1 . 1 571 571 MET HE1 H 1 1.677 0.000 . . . . . . . 571 MET HE . 50024 1
70 . 1 . 1 571 571 MET HE2 H 1 1.677 0.000 . . . . . . . 571 MET HE . 50024 1
71 . 1 . 1 571 571 MET HE3 H 1 1.677 0.000 . . . . . . . 571 MET HE . 50024 1
72 . 1 . 1 571 571 MET CE C 13 13.816 0.000 . . . . . . . 571 MET CE . 50024 1
73 . 1 . 1 574 574 ILE HD11 H 1 0.873 0.000 . . . . . . . 574 ILE HD1 . 50024 1
74 . 1 . 1 574 574 ILE HD12 H 1 0.873 0.000 . . . . . . . 574 ILE HD1 . 50024 1
75 . 1 . 1 574 574 ILE HD13 H 1 0.873 0.000 . . . . . . . 574 ILE HD1 . 50024 1
76 . 1 . 1 574 574 ILE CD1 C 13 12.890 0.000 . . . . . . . 574 ILE CD1 . 50024 1
77 . 1 . 1 589 589 ILE HD11 H 1 0.710 0.000 . . . . . . . 589 ILE HD1 . 50024 1
78 . 1 . 1 589 589 ILE HD12 H 1 0.710 0.000 . . . . . . . 589 ILE HD1 . 50024 1
79 . 1 . 1 589 589 ILE HD13 H 1 0.710 0.000 . . . . . . . 589 ILE HD1 . 50024 1
80 . 1 . 1 589 589 ILE CD1 C 13 24.063 0.000 . . . . . . . 589 ILE CD1 . 50024 1
81 . 1 . 1 605 605 ILE HD11 H 1 -0.050 0.000 . . . . . . . 605 ILE HD1 . 50024 1
82 . 1 . 1 605 605 ILE HD12 H 1 -0.050 0.000 . . . . . . . 605 ILE HD1 . 50024 1
83 . 1 . 1 605 605 ILE HD13 H 1 -0.050 0.000 . . . . . . . 605 ILE HD1 . 50024 1
84 . 1 . 1 605 605 ILE CD1 C 13 9.711 0.000 . . . . . . . 605 ILE CD1 . 50024 1
85 . 1 . 1 606 606 ILE HD11 H 1 0.837 0.000 . . . . . . . 606 ILE HD1 . 50024 1
86 . 1 . 1 606 606 ILE HD12 H 1 0.837 0.000 . . . . . . . 606 ILE HD1 . 50024 1
87 . 1 . 1 606 606 ILE HD13 H 1 0.837 0.000 . . . . . . . 606 ILE HD1 . 50024 1
88 . 1 . 1 606 606 ILE CD1 C 13 10.977 0.000 . . . . . . . 606 ILE CD1 . 50024 1
89 . 1 . 1 612 612 ILE HD11 H 1 0.799 0.000 . . . . . . . 612 ILE HD1 . 50024 1
90 . 1 . 1 612 612 ILE HD12 H 1 0.799 0.000 . . . . . . . 612 ILE HD1 . 50024 1
91 . 1 . 1 612 612 ILE HD13 H 1 0.799 0.000 . . . . . . . 612 ILE HD1 . 50024 1
92 . 1 . 1 612 612 ILE CD1 C 13 10.946 0.000 . . . . . . . 612 ILE CD1 . 50024 1
93 . 1 . 1 632 632 ILE HD11 H 1 1.207 0.000 . . . . . . . 632 ILE HD1 . 50024 1
94 . 1 . 1 632 632 ILE HD12 H 1 1.207 0.000 . . . . . . . 632 ILE HD1 . 50024 1
95 . 1 . 1 632 632 ILE HD13 H 1 1.207 0.000 . . . . . . . 632 ILE HD1 . 50024 1
96 . 1 . 1 632 632 ILE CD1 C 13 11.635 0.000 . . . . . . . 632 ILE CD1 . 50024 1
97 . 1 . 1 683 683 ILE HD11 H 1 0.128 0.000 . . . . . . . 683 ILE HD1 . 50024 1
98 . 1 . 1 683 683 ILE HD12 H 1 0.128 0.000 . . . . . . . 683 ILE HD1 . 50024 1
99 . 1 . 1 683 683 ILE HD13 H 1 0.128 0.000 . . . . . . . 683 ILE HD1 . 50024 1
100 . 1 . 1 683 683 ILE CD1 C 13 11.055 0.000 . . . . . . . 683 ILE CD1 . 50024 1
101 . 1 . 1 686 686 ILE HD11 H 1 0.662 0.000 . . . . . . . 686 ILE HD1 . 50024 1
102 . 1 . 1 686 686 ILE HD12 H 1 0.662 0.000 . . . . . . . 686 ILE HD1 . 50024 1
103 . 1 . 1 686 686 ILE HD13 H 1 0.662 0.000 . . . . . . . 686 ILE HD1 . 50024 1
104 . 1 . 1 686 686 ILE CD1 C 13 11.671 0.000 . . . . . . . 686 ILE CD1 . 50024 1
105 . 1 . 1 703 703 ILE HD11 H 1 1.026 0.000 . . . . . . . 703 ILE HD1 . 50024 1
106 . 1 . 1 703 703 ILE HD12 H 1 1.026 0.000 . . . . . . . 703 ILE HD1 . 50024 1
107 . 1 . 1 703 703 ILE HD13 H 1 1.026 0.000 . . . . . . . 703 ILE HD1 . 50024 1
108 . 1 . 1 703 703 ILE CD1 C 13 11.128 0.000 . . . . . . . 703 ILE CD1 . 50024 1
109 . 1 . 1 705 705 ILE HD11 H 1 0.791 0.000 . . . . . . . 705 ILE HD1 . 50024 1
110 . 1 . 1 705 705 ILE HD12 H 1 0.791 0.000 . . . . . . . 705 ILE HD1 . 50024 1
111 . 1 . 1 705 705 ILE HD13 H 1 0.791 0.000 . . . . . . . 705 ILE HD1 . 50024 1
112 . 1 . 1 705 705 ILE CD1 C 13 10.575 0.000 . . . . . . . 705 ILE CD1 . 50024 1
stop_
save_