Content for NMR-STAR saveframe, "assigned_chemical_shifts_3"
save_assigned_chemical_shifts_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3
_Assigned_chem_shift_list.Entry_ID 50845
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Name 'Beta methyl a'
_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
15 '2D 1H-13C HMQC' . . . 50845 3
16 '2D 1H-13C HMQC' . . . 50845 3
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 . . 50845 3
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 4 4 ILE HD11 H 1 0.838 0.000 . 1 . . . . . 4 ILE HD11 . 50845 3
2 . 1 . 1 4 4 ILE HD12 H 1 0.838 0.000 . 1 . . . . . 4 ILE HD12 . 50845 3
3 . 1 . 1 4 4 ILE HD13 H 1 0.838 0.000 . 1 . . . . . 4 ILE HD13 . 50845 3
4 . 1 . 1 4 4 ILE CD1 C 13 12.423 0.000 . 1 . . . . . 4 ILE CD1 . 50845 3
5 . 1 . 1 8 8 VAL HG21 H 1 1.031 0.000 . 1 . . . . . 8 VAL HG21 . 50845 3
6 . 1 . 1 8 8 VAL HG22 H 1 1.031 0.000 . 1 . . . . . 8 VAL HG22 . 50845 3
7 . 1 . 1 8 8 VAL HG23 H 1 1.031 0.000 . 1 . . . . . 8 VAL HG23 . 50845 3
8 . 1 . 1 8 8 VAL CG2 C 13 23.070 0.000 . 1 . . . . . 8 VAL CG2 . 50845 3
9 . 1 . 1 12 12 LEU HD21 H 1 0.958 0.000 . 1 . . . . . 12 LEU HD21 . 50845 3
10 . 1 . 1 12 12 LEU HD22 H 1 0.958 0.000 . 1 . . . . . 12 LEU HD22 . 50845 3
11 . 1 . 1 12 12 LEU HD23 H 1 0.958 0.000 . 1 . . . . . 12 LEU HD23 . 50845 3
12 . 1 . 1 12 12 LEU CD2 C 13 23.256 0.000 . 1 . . . . . 12 LEU CD2 . 50845 3
13 . 1 . 1 15 15 LEU HD21 H 1 1.010 0.000 . 1 . . . . . 15 LEU HD21 . 50845 3
14 . 1 . 1 15 15 LEU HD22 H 1 1.010 0.000 . 1 . . . . . 15 LEU HD22 . 50845 3
15 . 1 . 1 15 15 LEU HD23 H 1 1.010 0.000 . 1 . . . . . 15 LEU HD23 . 50845 3
16 . 1 . 1 15 15 LEU CD2 C 13 25.871 0.000 . 1 . . . . . 15 LEU CD2 . 50845 3
17 . 1 . 1 22 22 LEU HD21 H 1 1.059 0.000 . 1 . . . . . 22 LEU HD21 . 50845 3
18 . 1 . 1 22 22 LEU HD22 H 1 1.059 0.000 . 1 . . . . . 22 LEU HD22 . 50845 3
19 . 1 . 1 22 22 LEU HD23 H 1 1.059 0.000 . 1 . . . . . 22 LEU HD23 . 50845 3
20 . 1 . 1 22 22 LEU CD2 C 13 25.685 0.000 . 1 . . . . . 22 LEU CD2 . 50845 3
21 . 1 . 1 24 24 LEU HD21 H 1 0.961 0.000 . 1 . . . . . 24 LEU HD21 . 50845 3
22 . 1 . 1 24 24 LEU HD22 H 1 0.961 0.000 . 1 . . . . . 24 LEU HD22 . 50845 3
23 . 1 . 1 24 24 LEU HD23 H 1 0.961 0.000 . 1 . . . . . 24 LEU HD23 . 50845 3
24 . 1 . 1 24 24 LEU CD2 C 13 23.633 0.000 . 1 . . . . . 24 LEU CD2 . 50845 3
25 . 1 . 1 25 25 VAL HG21 H 1 1.120 0.000 . 1 . . . . . 25 VAL HG21 . 50845 3
26 . 1 . 1 25 25 VAL HG22 H 1 1.120 0.000 . 1 . . . . . 25 VAL HG22 . 50845 3
27 . 1 . 1 25 25 VAL HG23 H 1 1.120 0.000 . 1 . . . . . 25 VAL HG23 . 50845 3
28 . 1 . 1 25 25 VAL CG2 C 13 23.541 0.000 . 1 . . . . . 25 VAL CG2 . 50845 3
29 . 1 . 1 26 26 ILE HD11 H 1 0.876 0.000 . 1 . . . . . 26 ILE HD11 . 50845 3
30 . 1 . 1 26 26 ILE HD12 H 1 0.876 0.000 . 1 . . . . . 26 ILE HD12 . 50845 3
31 . 1 . 1 26 26 ILE HD13 H 1 0.876 0.000 . 1 . . . . . 26 ILE HD13 . 50845 3
32 . 1 . 1 26 26 ILE CD1 C 13 12.893 0.000 . 1 . . . . . 26 ILE CD1 . 50845 3
33 . 1 . 1 32 32 VAL HG21 H 1 1.004 0.000 . 1 . . . . . 32 VAL HG21 . 50845 3
34 . 1 . 1 32 32 VAL HG22 H 1 1.004 0.000 . 1 . . . . . 32 VAL HG22 . 50845 3
35 . 1 . 1 32 32 VAL HG23 H 1 1.004 0.000 . 1 . . . . . 32 VAL HG23 . 50845 3
36 . 1 . 1 32 32 VAL CG2 C 13 23.159 0.000 . 1 . . . . . 32 VAL CG2 . 50845 3
37 . 1 . 1 34 34 ALA HB1 H 1 1.553 0.000 . 1 . . . . . 34 ALA HB1 . 50845 3
38 . 1 . 1 34 34 ALA HB2 H 1 1.553 0.000 . 1 . . . . . 34 ALA HB2 . 50845 3
39 . 1 . 1 34 34 ALA HB3 H 1 1.553 0.000 . 1 . . . . . 34 ALA HB3 . 50845 3
40 . 1 . 1 34 34 ALA CB C 13 17.887 0.000 . 1 . . . . . 34 ALA CB . 50845 3
41 . 1 . 1 36 36 LEU HD21 H 1 0.978 0.000 . 1 . . . . . 36 LEU HD21 . 50845 3
42 . 1 . 1 36 36 LEU HD22 H 1 0.978 0.000 . 1 . . . . . 36 LEU HD22 . 50845 3
43 . 1 . 1 36 36 LEU HD23 H 1 0.978 0.000 . 1 . . . . . 36 LEU HD23 . 50845 3
44 . 1 . 1 36 36 LEU CD2 C 13 25.974 0.000 . 1 . . . . . 36 LEU CD2 . 50845 3
45 . 1 . 1 39 39 ALA HB1 H 1 1.526 0.000 . 1 . . . . . 39 ALA HB1 . 50845 3
46 . 1 . 1 39 39 ALA HB2 H 1 1.526 0.000 . 1 . . . . . 39 ALA HB2 . 50845 3
47 . 1 . 1 39 39 ALA HB3 H 1 1.526 0.000 . 1 . . . . . 39 ALA HB3 . 50845 3
48 . 1 . 1 39 39 ALA CB C 13 17.951 0.000 . 1 . . . . . 39 ALA CB . 50845 3
49 . 1 . 1 42 42 ALA HB1 H 1 1.525 0.000 . 1 . . . . . 42 ALA HB1 . 50845 3
50 . 1 . 1 42 42 ALA HB2 H 1 1.525 0.000 . 1 . . . . . 42 ALA HB2 . 50845 3
51 . 1 . 1 42 42 ALA HB3 H 1 1.525 0.000 . 1 . . . . . 42 ALA HB3 . 50845 3
52 . 1 . 1 42 42 ALA CB C 13 18.122 0.000 . 1 . . . . . 42 ALA CB . 50845 3
53 . 1 . 1 43 43 LEU HD21 H 1 0.943 0.000 . 1 . . . . . 43 LEU HD21 . 50845 3
54 . 1 . 1 43 43 LEU HD22 H 1 0.943 0.000 . 1 . . . . . 43 LEU HD22 . 50845 3
55 . 1 . 1 43 43 LEU HD23 H 1 0.943 0.000 . 1 . . . . . 43 LEU HD23 . 50845 3
56 . 1 . 1 43 43 LEU CD2 C 13 26.559 0.000 . 1 . . . . . 43 LEU CD2 . 50845 3
57 . 1 . 1 46 46 ILE HD11 H 1 0.416 0.000 . 1 . . . . . 46 ILE HD11 . 50845 3
58 . 1 . 1 46 46 ILE HD12 H 1 0.416 0.000 . 1 . . . . . 46 ILE HD12 . 50845 3
59 . 1 . 1 46 46 ILE HD13 H 1 0.416 0.000 . 1 . . . . . 46 ILE HD13 . 50845 3
60 . 1 . 1 46 46 ILE CD1 C 13 12.762 0.000 . 1 . . . . . 46 ILE CD1 . 50845 3
61 . 1 . 1 48 48 THR HG21 H 1 1.418 0.000 . 1 . . . . . 48 THR HG21 . 50845 3
62 . 1 . 1 48 48 THR HG22 H 1 1.418 0.000 . 1 . . . . . 48 THR HG22 . 50845 3
63 . 1 . 1 48 48 THR HG23 H 1 1.418 0.000 . 1 . . . . . 48 THR HG23 . 50845 3
64 . 1 . 1 48 48 THR CG2 C 13 21.596 0.000 . 1 . . . . . 48 THR CG2 . 50845 3
65 . 1 . 1 49 49 LEU HD21 H 1 0.926 0.000 . 1 . . . . . 49 LEU HD21 . 50845 3
66 . 1 . 1 49 49 LEU HD22 H 1 0.926 0.000 . 1 . . . . . 49 LEU HD22 . 50845 3
67 . 1 . 1 49 49 LEU HD23 H 1 0.926 0.000 . 1 . . . . . 49 LEU HD23 . 50845 3
68 . 1 . 1 49 49 LEU CD2 C 13 21.886 0.000 . 1 . . . . . 49 LEU CD2 . 50845 3
69 . 1 . 1 53 53 ALA HB1 H 1 1.517 0.000 . 1 . . . . . 53 ALA HB1 . 50845 3
70 . 1 . 1 53 53 ALA HB2 H 1 1.517 0.000 . 1 . . . . . 53 ALA HB2 . 50845 3
71 . 1 . 1 53 53 ALA HB3 H 1 1.517 0.000 . 1 . . . . . 53 ALA HB3 . 50845 3
72 . 1 . 1 53 53 ALA CB C 13 20.383 0.000 . 1 . . . . . 53 ALA CB . 50845 3
73 . 1 . 1 55 55 ILE HD11 H 1 0.725 0.000 . 1 . . . . . 55 ILE HD11 . 50845 3
74 . 1 . 1 55 55 ILE HD12 H 1 0.725 0.000 . 1 . . . . . 55 ILE HD12 . 50845 3
75 . 1 . 1 55 55 ILE HD13 H 1 0.725 0.000 . 1 . . . . . 55 ILE HD13 . 50845 3
76 . 1 . 1 55 55 ILE CD1 C 13 13.381 0.000 . 1 . . . . . 55 ILE CD1 . 50845 3
77 . 1 . 1 59 59 VAL HG21 H 1 0.844 0.000 . 1 . . . . . 59 VAL HG21 . 50845 3
78 . 1 . 1 59 59 VAL HG22 H 1 0.844 0.000 . 1 . . . . . 59 VAL HG22 . 50845 3
79 . 1 . 1 59 59 VAL HG23 H 1 0.844 0.000 . 1 . . . . . 59 VAL HG23 . 50845 3
80 . 1 . 1 59 59 VAL CG2 C 13 20.613 0.000 . 1 . . . . . 59 VAL CG2 . 50845 3
81 . 1 . 1 61 61 THR HG21 H 1 1.273 0.000 . 1 . . . . . 61 THR HG21 . 50845 3
82 . 1 . 1 61 61 THR HG22 H 1 1.273 0.000 . 1 . . . . . 61 THR HG22 . 50845 3
83 . 1 . 1 61 61 THR HG23 H 1 1.273 0.000 . 1 . . . . . 61 THR HG23 . 50845 3
84 . 1 . 1 61 61 THR CG2 C 13 21.871 0.000 . 1 . . . . . 61 THR CG2 . 50845 3
85 . 1 . 1 62 62 LEU HD21 H 1 0.885 0.000 . 1 . . . . . 62 LEU HD21 . 50845 3
86 . 1 . 1 62 62 LEU HD22 H 1 0.885 0.000 . 1 . . . . . 62 LEU HD22 . 50845 3
87 . 1 . 1 62 62 LEU HD23 H 1 0.885 0.000 . 1 . . . . . 62 LEU HD23 . 50845 3
88 . 1 . 1 62 62 LEU CD2 C 13 23.823 0.000 . 1 . . . . . 62 LEU CD2 . 50845 3
89 . 1 . 1 63 63 ILE HD11 H 1 0.732 0.000 . 1 . . . . . 63 ILE HD11 . 50845 3
90 . 1 . 1 63 63 ILE HD12 H 1 0.732 0.000 . 1 . . . . . 63 ILE HD12 . 50845 3
91 . 1 . 1 63 63 ILE HD13 H 1 0.732 0.000 . 1 . . . . . 63 ILE HD13 . 50845 3
92 . 1 . 1 63 63 ILE CD1 C 13 14.239 0.000 . 1 . . . . . 63 ILE CD1 . 50845 3
93 . 1 . 1 64 64 VAL HG21 H 1 0.902 0.000 . 1 . . . . . 64 VAL HG21 . 50845 3
94 . 1 . 1 64 64 VAL HG22 H 1 0.902 0.000 . 1 . . . . . 64 VAL HG22 . 50845 3
95 . 1 . 1 64 64 VAL HG23 H 1 0.902 0.000 . 1 . . . . . 64 VAL HG23 . 50845 3
96 . 1 . 1 64 64 VAL CG2 C 13 20.447 0.000 . 1 . . . . . 64 VAL CG2 . 50845 3
97 . 1 . 1 66 66 THR HG21 H 1 1.206 0.000 . 1 . . . . . 66 THR HG21 . 50845 3
98 . 1 . 1 66 66 THR HG22 H 1 1.206 0.000 . 1 . . . . . 66 THR HG22 . 50845 3
99 . 1 . 1 66 66 THR HG23 H 1 1.206 0.000 . 1 . . . . . 66 THR HG23 . 50845 3
100 . 1 . 1 66 66 THR CG2 C 13 19.292 0.000 . 1 . . . . . 66 THR CG2 . 50845 3
101 . 1 . 1 67 67 THR HG21 H 1 1.342 0.000 . 1 . . . . . 67 THR HG21 . 50845 3
102 . 1 . 1 67 67 THR HG22 H 1 1.342 0.000 . 1 . . . . . 67 THR HG22 . 50845 3
103 . 1 . 1 67 67 THR HG23 H 1 1.342 0.000 . 1 . . . . . 67 THR HG23 . 50845 3
104 . 1 . 1 67 67 THR CG2 C 13 22.144 0.000 . 1 . . . . . 67 THR CG2 . 50845 3
105 . 1 . 1 71 71 ALA HB1 H 1 1.218 0.000 . 1 . . . . . 71 ALA HB1 . 50845 3
106 . 1 . 1 71 71 ALA HB2 H 1 1.218 0.000 . 1 . . . . . 71 ALA HB2 . 50845 3
107 . 1 . 1 71 71 ALA HB3 H 1 1.218 0.000 . 1 . . . . . 71 ALA HB3 . 50845 3
108 . 1 . 1 71 71 ALA CB C 13 18.868 0.000 . 1 . . . . . 71 ALA CB . 50845 3
109 . 1 . 1 72 72 VAL HG21 H 1 1.034 0.000 . 1 . . . . . 72 VAL HG21 . 50845 3
110 . 1 . 1 72 72 VAL HG22 H 1 1.034 0.000 . 1 . . . . . 72 VAL HG22 . 50845 3
111 . 1 . 1 72 72 VAL HG23 H 1 1.034 0.000 . 1 . . . . . 72 VAL HG23 . 50845 3
112 . 1 . 1 72 72 VAL CG2 C 13 22.961 0.000 . 1 . . . . . 72 VAL CG2 . 50845 3
113 . 1 . 1 79 79 ILE HD11 H 1 0.861 0.000 . 1 . . . . . 79 ILE HD11 . 50845 3
114 . 1 . 1 79 79 ILE HD12 H 1 0.861 0.000 . 1 . . . . . 79 ILE HD12 . 50845 3
115 . 1 . 1 79 79 ILE HD13 H 1 0.861 0.000 . 1 . . . . . 79 ILE HD13 . 50845 3
116 . 1 . 1 79 79 ILE CD1 C 13 14.960 0.000 . 1 . . . . . 79 ILE CD1 . 50845 3
117 . 1 . 1 81 81 THR HG21 H 1 1.357 0.000 . 1 . . . . . 81 THR HG21 . 50845 3
118 . 1 . 1 81 81 THR HG22 H 1 1.357 0.000 . 1 . . . . . 81 THR HG22 . 50845 3
119 . 1 . 1 81 81 THR HG23 H 1 1.357 0.000 . 1 . . . . . 81 THR HG23 . 50845 3
120 . 1 . 1 81 81 THR CG2 C 13 21.456 0.000 . 1 . . . . . 81 THR CG2 . 50845 3
121 . 1 . 1 82 82 LEU HD21 H 1 1.060 0.000 . 1 . . . . . 82 LEU HD21 . 50845 3
122 . 1 . 1 82 82 LEU HD22 H 1 1.060 0.000 . 1 . . . . . 82 LEU HD22 . 50845 3
123 . 1 . 1 82 82 LEU HD23 H 1 1.060 0.000 . 1 . . . . . 82 LEU HD23 . 50845 3
124 . 1 . 1 82 82 LEU CD2 C 13 22.934 0.000 . 1 . . . . . 82 LEU CD2 . 50845 3
125 . 1 . 1 84 84 VAL HG21 H 1 1.237 0.000 . 1 . . . . . 84 VAL HG21 . 50845 3
126 . 1 . 1 84 84 VAL HG22 H 1 1.237 0.000 . 1 . . . . . 84 VAL HG22 . 50845 3
127 . 1 . 1 84 84 VAL HG23 H 1 1.237 0.000 . 1 . . . . . 84 VAL HG23 . 50845 3
128 . 1 . 1 84 84 VAL CG2 C 13 22.754 0.000 . 1 . . . . . 84 VAL CG2 . 50845 3
129 . 1 . 1 86 86 LEU HD21 H 1 1.001 0.000 . 1 . . . . . 86 LEU HD21 . 50845 3
130 . 1 . 1 86 86 LEU HD22 H 1 1.001 0.000 . 1 . . . . . 86 LEU HD22 . 50845 3
131 . 1 . 1 86 86 LEU HD23 H 1 1.001 0.000 . 1 . . . . . 86 LEU HD23 . 50845 3
132 . 1 . 1 86 86 LEU CD2 C 13 26.494 0.000 . 1 . . . . . 86 LEU CD2 . 50845 3
133 . 1 . 1 89 89 LEU HD21 H 1 0.972 0.000 . 1 . . . . . 89 LEU HD21 . 50845 3
134 . 1 . 1 89 89 LEU HD22 H 1 0.972 0.000 . 1 . . . . . 89 LEU HD22 . 50845 3
135 . 1 . 1 89 89 LEU HD23 H 1 0.972 0.000 . 1 . . . . . 89 LEU HD23 . 50845 3
136 . 1 . 1 89 89 LEU CD2 C 13 25.963 0.000 . 1 . . . . . 89 LEU CD2 . 50845 3
137 . 1 . 1 96 96 ILE HD11 H 1 0.912 0.000 . 1 . . . . . 96 ILE HD11 . 50845 3
138 . 1 . 1 96 96 ILE HD12 H 1 0.912 0.000 . 1 . . . . . 96 ILE HD12 . 50845 3
139 . 1 . 1 96 96 ILE HD13 H 1 0.912 0.000 . 1 . . . . . 96 ILE HD13 . 50845 3
140 . 1 . 1 96 96 ILE CD1 C 13 13.911 0.000 . 1 . . . . . 96 ILE CD1 . 50845 3
141 . 1 . 1 100 100 VAL HG21 H 1 1.042 0.000 . 1 . . . . . 100 VAL HG21 . 50845 3
142 . 1 . 1 100 100 VAL HG22 H 1 1.042 0.000 . 1 . . . . . 100 VAL HG22 . 50845 3
143 . 1 . 1 100 100 VAL HG23 H 1 1.042 0.000 . 1 . . . . . 100 VAL HG23 . 50845 3
144 . 1 . 1 100 100 VAL CG2 C 13 23.558 0.000 . 1 . . . . . 100 VAL CG2 . 50845 3
145 . 1 . 1 103 103 LEU HD21 H 1 1.090 0.000 . 1 . . . . . 103 LEU HD21 . 50845 3
146 . 1 . 1 103 103 LEU HD22 H 1 1.090 0.000 . 1 . . . . . 103 LEU HD22 . 50845 3
147 . 1 . 1 103 103 LEU HD23 H 1 1.090 0.000 . 1 . . . . . 103 LEU HD23 . 50845 3
148 . 1 . 1 103 103 LEU CD2 C 13 24.082 0.000 . 1 . . . . . 103 LEU CD2 . 50845 3
149 . 1 . 1 104 104 THR HG21 H 1 1.289 0.025 . 1 . . . . . 104 THR HG21 . 50845 3
150 . 1 . 1 104 104 THR HG22 H 1 1.289 0.025 . 1 . . . . . 104 THR HG22 . 50845 3
151 . 1 . 1 104 104 THR HG23 H 1 1.289 0.025 . 1 . . . . . 104 THR HG23 . 50845 3
152 . 1 . 1 104 104 THR CG2 C 13 21.251 0.000 . 1 . . . . . 104 THR CG2 . 50845 3
153 . 1 . 1 109 109 ALA HB1 H 1 1.551 0.000 . 1 . . . . . 109 ALA HB1 . 50845 3
154 . 1 . 1 109 109 ALA HB2 H 1 1.551 0.000 . 1 . . . . . 109 ALA HB2 . 50845 3
155 . 1 . 1 109 109 ALA HB3 H 1 1.551 0.000 . 1 . . . . . 109 ALA HB3 . 50845 3
156 . 1 . 1 109 109 ALA CB C 13 18.302 0.000 . 1 . . . . . 109 ALA CB . 50845 3
157 . 1 . 1 110 110 ALA HB1 H 1 1.481 0.026 . 1 . . . . . 110 ALA HB1 . 50845 3
158 . 1 . 1 110 110 ALA HB2 H 1 1.481 0.026 . 1 . . . . . 110 ALA HB2 . 50845 3
159 . 1 . 1 110 110 ALA HB3 H 1 1.481 0.026 . 1 . . . . . 110 ALA HB3 . 50845 3
160 . 1 . 1 110 110 ALA CB C 13 19.216 0.012 . 1 . . . . . 110 ALA CB . 50845 3
161 . 1 . 1 111 111 LEU HD21 H 1 0.934 0.000 . 1 . . . . . 111 LEU HD21 . 50845 3
162 . 1 . 1 111 111 LEU HD22 H 1 0.934 0.000 . 1 . . . . . 111 LEU HD22 . 50845 3
163 . 1 . 1 111 111 LEU HD23 H 1 0.934 0.000 . 1 . . . . . 111 LEU HD23 . 50845 3
164 . 1 . 1 111 111 LEU CD2 C 13 23.046 0.000 . 1 . . . . . 111 LEU CD2 . 50845 3
165 . 1 . 1 115 115 THR HG21 H 1 1.269 0.004 . 1 . . . . . 115 THR HG21 . 50845 3
166 . 1 . 1 115 115 THR HG22 H 1 1.269 0.004 . 1 . . . . . 115 THR HG22 . 50845 3
167 . 1 . 1 115 115 THR HG23 H 1 1.269 0.004 . 1 . . . . . 115 THR HG23 . 50845 3
168 . 1 . 1 115 115 THR CG2 C 13 21.477 0.074 . 1 . . . . . 115 THR CG2 . 50845 3
169 . 1 . 1 116 116 ALA HB1 H 1 1.445 0.023 . 1 . . . . . 116 ALA HB1 . 50845 3
170 . 1 . 1 116 116 ALA HB2 H 1 1.445 0.023 . 1 . . . . . 116 ALA HB2 . 50845 3
171 . 1 . 1 116 116 ALA HB3 H 1 1.445 0.023 . 1 . . . . . 116 ALA HB3 . 50845 3
172 . 1 . 1 116 116 ALA CB C 13 19.626 0.076 . 1 . . . . . 116 ALA CB . 50845 3
stop_
save_