Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 15056
_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 .
_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' . . . 15056 1
2 '2D HNCA' . . . 15056 1
3 '2D HNCO' . . . 15056 1
6 '2D 1H-13C HSQC' . . . 15056 1
7 '2D HNCACB' . . . 15056 1
8 '2D HCCH-TOCSY' . . . 15056 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 1 1 ACE CH3 C 13 21.444 0.400 . 1 . . . . 10 ACE CH3 . 15056 1
2 . 1 1 1 1 ACE QA H 1 1.981 0.020 . 1 . . . . 10 ACE QA . 15056 1
3 . 1 1 1 1 ACE C C 13 172.410 0.400 . 1 . . . . 10 ACE C . 15056 1
4 . 1 1 2 2 PHE H H 1 8.382 0.020 . 1 . . . . 11 PHE H . 15056 1
5 . 1 1 2 2 PHE HA H 1 4.401 0.020 . 1 . . . . 11 PHE HA . 15056 1
6 . 1 1 2 2 PHE HB2 H 1 3.004 0.020 . 2 . . . . 11 PHE HB2 . 15056 1
7 . 1 1 2 2 PHE HB3 H 1 3.071 0.020 . 2 . . . . 11 PHE HB3 . 15056 1
8 . 1 1 2 2 PHE C C 13 172.715 0.400 . 1 . . . . 11 PHE C . 15056 1
9 . 1 1 2 2 PHE CA C 13 56.428 0.400 . 1 . . . . 11 PHE CA . 15056 1
10 . 1 1 2 2 PHE CB C 13 36.967 0.400 . 1 . . . . 11 PHE CB . 15056 1
11 . 1 1 2 2 PHE N N 15 125.010 0.400 . 1 . . . . 11 PHE N . 15056 1
12 . 1 1 3 3 AIB N N 15 133.272 0.400 . 1 . . . . 12 AIB N . 15056 1
13 . 1 1 3 3 AIB H H 1 8.362 0.020 . 1 . . . . 12 AIB H . 15056 1
14 . 1 1 3 3 AIB CA C 13 56.707 0.400 . 1 . . . . 12 AIB CA . 15056 1
15 . 1 1 3 3 AIB QB1 H 1 1.310 0.020 . 2 . . . . 12 AIB QB1 . 15056 1
16 . 1 1 3 3 AIB CB1 C 13 23.745 0.400 . 1 . . . . 12 AIB CB1 . 15056 1
17 . 1 1 3 3 AIB QB2 H 1 1.337 0.020 . 2 . . . . 12 AIB QB2 . 15056 1
18 . 1 1 3 3 AIB CB2 C 13 24.463 0.400 . 1 . . . . 12 AIB CB2 . 15056 1
19 . 1 1 3 3 AIB C C 13 175.362 0.400 . 1 . . . . 12 AIB C . 15056 1
20 . 1 1 4 4 AIB N N 15 123.383 0.400 . 1 . . . . 13 AIB N . 15056 1
21 . 1 1 4 4 AIB H H 1 7.612 0.020 . 1 . . . . 13 AIB H . 15056 1
22 . 1 1 4 4 AIB CA C 13 56.780 0.400 . 1 . . . . 13 AIB CA . 15056 1
23 . 1 1 4 4 AIB QB1 H 1 1.405 0.020 . 2 . . . . 13 AIB QB1 . 15056 1
24 . 1 1 4 4 AIB CB1 C 13 24.145 0.400 . 1 . . . . 13 AIB CB1 . 15056 1
25 . 1 1 4 4 AIB QB2 H 1 1.405 0.020 . 2 . . . . 13 AIB QB2 . 15056 1
26 . 1 1 4 4 AIB CB2 C 13 24.327 0.400 . 1 . . . . 13 AIB CB2 . 15056 1
27 . 1 1 4 4 AIB C C 13 176.301 0.400 . 1 . . . . 13 AIB C . 15056 1
28 . 1 1 5 5 AIB N N 15 125.271 0.400 . 1 . . . . 14 AIB N . 15056 1
29 . 1 1 5 5 AIB H H 1 7.927 0.020 . 1 . . . . 14 AIB H . 15056 1
30 . 1 1 5 5 AIB CA C 13 57.023 0.400 . 1 . . . . 14 AIB CA . 15056 1
31 . 1 1 5 5 AIB QB1 H 1 1.503 0.020 . 2 . . . . 14 AIB QB1 . 15056 1
32 . 1 1 5 5 AIB CB1 C 13 24.445 0.400 . 1 . . . . 14 AIB CB1 . 15056 1
33 . 1 1 5 5 AIB QB2 H 1 1.503 0.020 . 2 . . . . 14 AIB QB2 . 15056 1
34 . 1 1 5 5 AIB CB2 C 13 24.936 0.400 . 1 . . . . 14 AIB CB2 . 15056 1
35 . 1 1 5 5 AIB C C 13 176.530 0.400 . 1 . . . . 14 AIB C . 15056 1
36 . 1 1 6 6 DIV N N 15 121.309 0.400 . 1 . . . . 15 DIV N . 15056 1
37 . 1 1 6 6 DIV H H 1 7.786 0.020 . 1 . . . . 15 DIV H . 15056 1
38 . 1 1 6 6 DIV CA C 13 60.007 0.400 . 1 . . . . 15 DIV CA . 15056 1
39 . 1 1 6 6 DIV QB2 H 1 1.465 0.020 . 1 . . . . 15 DIV QB2 . 15056 1
40 . 1 1 6 6 DIV CB2 C 13 21.194 0.400 . 1 . . . . 15 DIV CB2 . 15056 1
41 . 1 1 6 6 DIV CB1 C 13 28.677 0.400 . 1 . . . . 15 DIV CB1 . 15056 1
42 . 1 1 6 6 DIV HB12 H 1 1.849 0.020 . 2 . . . . 15 DIV HB12 . 15056 1
43 . 1 1 6 6 DIV HB13 H 1 2.140 0.020 . 2 . . . . 15 DIV HB13 . 15056 1
44 . 1 1 6 6 DIV QG1 H 1 0.900 0.020 . 1 . . . . 15 DIV QG1 . 15056 1
45 . 1 1 6 6 DIV CG1 C 13 7.093 0.400 . 1 . . . . 15 DIV CG1 . 15056 1
46 . 1 1 6 6 DIV C C 13 177.494 0.400 . 1 . . . . 15 DIV C . 15056 1
47 . 1 1 7 7 GLY H H 1 8.186 0.020 . 1 . . . . 16 GLY H . 15056 1
48 . 1 1 7 7 GLY HA2 H 1 3.926 0.020 . 2 . . . . 16 GLY HA2 . 15056 1
49 . 1 1 7 7 GLY HA3 H 1 3.815 0.020 . 2 . . . . 16 GLY HA3 . 15056 1
50 . 1 1 7 7 GLY C C 13 172.150 0.400 . 1 . . . . 16 GLY C . 15056 1
51 . 1 1 7 7 GLY CA C 13 43.973 0.400 . 1 . . . . 16 GLY CA . 15056 1
52 . 1 1 7 7 GLY N N 15 101.128 0.400 . 1 . . . . 16 GLY N . 15056 1
53 . 1 1 8 8 LEU H H 1 8.020 0.020 . 1 . . . . 17 LEU H . 15056 1
54 . 1 1 8 8 LEU HA H 1 4.188 0.020 . 1 . . . . 17 LEU HA . 15056 1
55 . 1 1 8 8 LEU HB2 H 1 1.627 0.020 . 2 . . . . 17 LEU HB2 . 15056 1
56 . 1 1 8 8 LEU HB3 H 1 1.884 0.020 . 2 . . . . 17 LEU HB3 . 15056 1
57 . 1 1 8 8 LEU HG H 1 1.816 0.020 . 1 . . . . 17 LEU HG . 15056 1
58 . 1 1 8 8 LEU HD11 H 1 0.935 0.020 . 2 . . . . 17 LEU HD1 . 15056 1
59 . 1 1 8 8 LEU HD12 H 1 0.935 0.020 . 2 . . . . 17 LEU HD1 . 15056 1
60 . 1 1 8 8 LEU HD13 H 1 0.935 0.020 . 2 . . . . 17 LEU HD1 . 15056 1
61 . 1 1 8 8 LEU HD21 H 1 0.983 0.020 . 2 . . . . 17 LEU HD2 . 15056 1
62 . 1 1 8 8 LEU HD22 H 1 0.983 0.020 . 2 . . . . 17 LEU HD2 . 15056 1
63 . 1 1 8 8 LEU HD23 H 1 0.983 0.020 . 2 . . . . 17 LEU HD2 . 15056 1
64 . 1 1 8 8 LEU C C 13 173.539 0.400 . 1 . . . . 17 LEU C . 15056 1
65 . 1 1 8 8 LEU CA C 13 54.297 0.400 . 1 . . . . 17 LEU CA . 15056 1
66 . 1 1 8 8 LEU CB C 13 39.650 0.400 . 1 . . . . 17 LEU CB . 15056 1
67 . 1 1 8 8 LEU CG C 13 24.760 0.400 . 1 . . . . 17 LEU CG . 15056 1
68 . 1 1 8 8 LEU CD1 C 13 20.570 0.400 . 1 . . . . 17 LEU CD1 . 15056 1
69 . 1 1 8 8 LEU CD2 C 13 22.290 0.400 . 1 . . . . 17 LEU CD2 . 15056 1
70 . 1 1 8 8 LEU N N 15 118.762 0.400 . 1 . . . . 17 LEU N . 15056 1
71 . 1 1 9 9 AIB N N 15 124.729 0.400 . 1 . . . . 18 AIB N . 15056 1
72 . 1 1 9 9 AIB H H 1 7.579 0.020 . 1 . . . . 18 AIB H . 15056 1
73 . 1 1 9 9 AIB CA C 13 57.285 0.400 . 1 . . . . 18 AIB CA . 15056 1
74 . 1 1 9 9 AIB QB1 H 1 1.559 0.020 . 2 . . . . 18 AIB QB1 . 15056 1
75 . 1 1 9 9 AIB CB1 C 13 23.654 0.400 . 1 . . . . 18 AIB CB1 . 15056 1
76 . 1 1 9 9 AIB QB2 H 1 1.471 0.020 . 2 . . . . 18 AIB QB2 . 15056 1
77 . 1 1 9 9 AIB CB2 C 13 26.302 0.400 . 1 . . . . 18 AIB CB2 . 15056 1
78 . 1 1 9 9 AIB C C 13 176.454 0.400 . 1 . . . . 18 AIB C . 15056 1
79 . 1 1 10 10 AIB N N 15 126.919 0.400 . 1 . . . . 19 AIB N . 15056 1
80 . 1 1 10 10 AIB H H 1 7.674 0.020 . 1 . . . . 19 AIB H . 15056 1
81 . 1 1 10 10 AIB CA C 13 57.321 0.400 . 1 . . . . 19 AIB CA . 15056 1
82 . 1 1 10 10 AIB QB1 H 1 1.603 0.020 . 2 . . . . 19 AIB QB1 . 15056 1
83 . 1 1 10 10 AIB CB1 C 13 23.099 0.400 . 1 . . . . 19 AIB CB1 . 15056 1
84 . 1 1 10 10 AIB QB2 H 1 1.507 0.020 . 2 . . . . 19 AIB QB2 . 15056 1
85 . 1 1 10 10 AIB CB2 C 13 25.708 0.400 . 1 . . . . 19 AIB CB2 . 15056 1
86 . 1 1 10 10 AIB C C 13 174.563 0.400 . 1 . . . . 19 AIB C . 15056 1
87 . 1 1 11 11 HYP CD C 13 56.974 0.400 . 1 . . . . 20 HYP CD . 15056 1
88 . 1 1 11 11 HYP HD2 H 1 3.714 0.020 . 2 . . . . 20 HYP HD2 . 15056 1
89 . 1 1 11 11 HYP HD3 H 1 3.948 0.020 . 2 . . . . 20 HYP HD3 . 15056 1
90 . 1 1 11 11 HYP CA C 13 61.784 0.400 . 1 . . . . 20 HYP CA . 15056 1
91 . 1 1 11 11 HYP HA H 1 4.606 0.020 . 1 . . . . 20 HYP HA . 15056 1
92 . 1 1 11 11 HYP CB C 13 37.005 0.400 . 1 . . . . 20 HYP CB . 15056 1
93 . 1 1 11 11 HYP HB2 H 1 1.959 0.020 . 2 . . . . 20 HYP HB2 . 15056 1
94 . 1 1 11 11 HYP HB3 H 1 2.364 0.020 . 2 . . . . 20 HYP HB3 . 15056 1
95 . 1 1 11 11 HYP CG C 13 70.267 0.400 . 1 . . . . 20 HYP CG . 15056 1
96 . 1 1 11 11 HYP HG H 1 4.495 0.020 . 1 . . . . 20 HYP HG . 15056 1
97 . 1 1 11 11 HYP C C 13 173.841 0.400 . 1 . . . . 20 HYP C . 15056 1
98 . 1 1 12 12 GLN H H 1 8.254 0.020 . 1 . . . . 21 GLN H . 15056 1
99 . 1 1 12 12 GLN HA H 1 4.348 0.020 . 1 . . . . 21 GLN HA . 15056 1
100 . 1 1 12 12 GLN HB2 H 1 2.138 0.020 . 2 . . . . 21 GLN HB2 . 15056 1
101 . 1 1 12 12 GLN HB3 H 1 2.367 0.020 . 2 . . . . 21 GLN HB3 . 15056 1
102 . 1 1 12 12 GLN HG2 H 1 2.357 0.020 . 1 . . . . 21 GLN HG2 . 15056 1
103 . 1 1 12 12 GLN HG3 H 1 2.357 0.020 . 1 . . . . 21 GLN HG3 . 15056 1
104 . 1 1 12 12 GLN HE21 H 1 7.490 0.020 . 2 . . . . 21 GLN HE21 . 15056 1
105 . 1 1 12 12 GLN HE22 H 1 6.719 0.020 . 2 . . . . 21 GLN HE22 . 15056 1
106 . 1 1 12 12 GLN C C 13 172.384 0.400 . 1 . . . . 21 GLN C . 15056 1
107 . 1 1 12 12 GLN CA C 13 53.657 0.400 . 1 . . . . 21 GLN CA . 15056 1
108 . 1 1 12 12 GLN CB C 13 27.250 0.400 . 1 . . . . 21 GLN CB . 15056 1
109 . 1 1 12 12 GLN CG C 13 31.927 0.400 . 1 . . . . 21 GLN CG . 15056 1
110 . 1 1 12 12 GLN N N 15 110.665 0.400 . 1 . . . . 21 GLN N . 15056 1
111 . 1 1 12 12 GLN NE2 N 15 106.147 0.400 . 1 . . . . 21 GLN NE2 . 15056 1
112 . 1 1 13 13 DIV N N 15 124.719 0.400 . 1 . . . . 22 DIV N . 15056 1
113 . 1 1 13 13 DIV H H 1 7.625 0.020 . 1 . . . . 22 DIV H . 15056 1
114 . 1 1 13 13 DIV CA C 13 59.606 0.400 . 1 . . . . 22 DIV CA . 15056 1
115 . 1 1 13 13 DIV QB2 H 1 1.560 0.020 . 1 . . . . 22 DIV QB2 . 15056 1
116 . 1 1 13 13 DIV CB2 C 13 20.235 0.400 . 1 . . . . 22 DIV CB2 . 15056 1
117 . 1 1 13 13 DIV CB1 C 13 28.540 0.400 . 1 . . . . 22 DIV CB1 . 15056 1
118 . 1 1 13 13 DIV HB12 H 1 1.888 0.020 . 2 . . . . 22 DIV HB12 . 15056 1
119 . 1 1 13 13 DIV HB13 H 1 2.281 0.020 . 2 . . . . 22 DIV HB13 . 15056 1
120 . 1 1 13 13 DIV QG1 H 1 0.865 0.020 . 1 . . . . 22 DIV QG1 . 15056 1
121 . 1 1 13 13 DIV CG1 C 13 6.938 0.400 . 1 . . . . 22 DIV CG1 . 15056 1
122 . 1 1 13 13 DIV C C 13 174.036 0.400 . 1 . . . . 22 DIV C . 15056 1
123 . 1 1 14 14 HYP CD C 13 57.280 0.400 . 1 . . . . 23 HYP CD . 15056 1
124 . 1 1 14 14 HYP HD2 H 1 3.541 0.020 . 2 . . . . 23 HYP HD2 . 15056 1
125 . 1 1 14 14 HYP HD3 H 1 3.895 0.020 . 2 . . . . 23 HYP HD3 . 15056 1
126 . 1 1 14 14 HYP CA C 13 61.308 0.400 . 1 . . . . 23 HYP CA . 15056 1
127 . 1 1 14 14 HYP HA H 1 4.763 0.020 . 1 . . . . 23 HYP HA . 15056 1
128 . 1 1 14 14 HYP CB C 13 37.385 0.400 . 1 . . . . 23 HYP CB . 15056 1
129 . 1 1 14 14 HYP HB2 H 1 1.857 0.020 . 2 . . . . 23 HYP HB2 . 15056 1
130 . 1 1 14 14 HYP HB3 H 1 2.364 0.020 . 2 . . . . 23 HYP HB3 . 15056 1
131 . 1 1 14 14 HYP CG C 13 70.381 0.400 . 1 . . . . 23 HYP CG . 15056 1
132 . 1 1 14 14 HYP HG H 1 4.426 0.020 . 1 . . . . 23 HYP HG . 15056 1
133 . 1 1 14 14 HYP C C 13 173.610 0.400 . 1 . . . . 23 HYP C . 15056 1
134 . 1 1 15 15 AIB N N 15 127.340 0.400 . 1 . . . . 24 AIB N . 15056 1
135 . 1 1 15 15 AIB H H 1 8.163 0.020 . 1 . . . . 24 AIB H . 15056 1
136 . 1 1 15 15 AIB CA C 13 56.772 0.400 . 1 . . . . 24 AIB CA . 15056 1
137 . 1 1 15 15 AIB QB1 H 1 1.538 0.020 . 2 . . . . 24 AIB QB1 . 15056 1
138 . 1 1 15 15 AIB CB1 C 13 23.208 0.400 . 1 . . . . 24 AIB CB1 . 15056 1
139 . 1 1 15 15 AIB QB2 H 1 1.465 0.020 . 2 . . . . 24 AIB QB2 . 15056 1
140 . 1 1 15 15 AIB CB2 C 13 25.099 0.400 . 1 . . . . 24 AIB CB2 . 15056 1
141 . 1 1 15 15 AIB C C 13 173.725 0.400 . 1 . . . . 24 AIB C . 15056 1
142 . 1 1 16 16 PRO HA H 1 4.318 0.020 . 1 . . . . 25 PRO HA . 15056 1
143 . 1 1 16 16 PRO HB2 H 1 1.262 0.020 . 2 . . . . 25 PRO HB2 . 15056 1
144 . 1 1 16 16 PRO HB3 H 1 2.027 0.020 . 2 . . . . 25 PRO HB3 . 15056 1
145 . 1 1 16 16 PRO HG2 H 1 1.689 0.020 . 1 . . . . 25 PRO HG2 . 15056 1
146 . 1 1 16 16 PRO HG3 H 1 1.689 0.020 . 1 . . . . 25 PRO HG3 . 15056 1
147 . 1 1 16 16 PRO HD2 H 1 3.705 0.020 . 2 . . . . 25 PRO HD2 . 15056 1
148 . 1 1 16 16 PRO HD3 H 1 3.851 0.020 . 2 . . . . 25 PRO HD3 . 15056 1
149 . 1 1 16 16 PRO C C 13 172.915 0.400 . 1 . . . . 25 PRO C . 15056 1
150 . 1 1 16 16 PRO CA C 13 62.947 0.400 . 1 . . . . 25 PRO CA . 15056 1
151 . 1 1 16 16 PRO CB C 13 28.831 0.400 . 1 . . . . 25 PRO CB . 15056 1
152 . 1 1 16 16 PRO CG C 13 25.245 0.400 . 1 . . . . 25 PRO CG . 15056 1
153 . 1 1 16 16 PRO CD C 13 48.808 0.400 . 1 . . . . 25 PRO CD . 15056 1
154 . 1 1 17 17 PHL N N 15 117.698 0.400 . 1 . . . . 26 PHL N . 15056 1
155 . 1 1 17 17 PHL H H 1 7.567 0.020 . 1 . . . . 26 PHL H . 15056 1
156 . 1 1 17 17 PHL CA C 13 53.671 0.400 . 1 . . . . 26 PHL CA . 15056 1
157 . 1 1 17 17 PHL HA H 1 4.150 0.020 . 1 . . . . 26 PHL HA . 15056 1
158 . 1 1 17 17 PHL CB C 13 36.738 0.400 . 1 . . . . 26 PHL CB . 15056 1
159 . 1 1 17 17 PHL HB2 H 1 2.763 0.020 . 2 . . . . 26 PHL HB2 . 15056 1
160 . 1 1 17 17 PHL HB3 H 1 2.998 0.020 . 2 . . . . 26 PHL HB3 . 15056 1
161 . 1 1 17 17 PHL C C 13 64.215 0.400 . 1 . . . . 26 PHL C . 15056 1
162 . 1 1 17 17 PHL H1 H 1 3.633 0.020 . 2 . . . . 26 PHL H1 . 15056 1
163 . 1 1 17 17 PHL H2 H 1 3.633 0.020 . 2 . . . . 26 PHL H2 . 15056 1
stop_
save_