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 50575
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name chem_shifts_list_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 $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_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
;
1H chemical shift error was set to 0.01 where 1D data were available,
0.02 for signals extracted from 2D spectra, and 0.05 for the hydroxyl
proton.
;
_Assigned_chem_shift_list.Details '1H-13C HMBC for used for assignment of CO groups.'
_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 '1D 1H' . . . 50575 1
3 '2D 1H-1H TOCSY' . . . 50575 1
4 '2D 1H-13C HSQC' . . . 50575 1
5 '2D 1H-15N HSQC' . . . 50575 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
3 $software_3 . . 50575 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 1 1 BMT C C 13 170.82 0.10 . 1 . . . . . 1 BMT C . 50575 1
2 . 1 . 1 1 1 BMT CA C 13 58.93 0.10 . 1 . . . . . 1 BMT Ca . 50575 1
3 . 1 . 1 1 1 BMT CB C 13 76.43 0.10 . 1 . . . . . 1 BMT Cb . 50575 1
4 . 1 . 1 1 1 BMT CG2 C 13 37.65 0.10 . 1 . . . . . 1 BMT Cg2 . 50575 1
5 . 1 . 1 1 1 BMT CD1 C 13 16.03 0.10 . 1 . . . . . 1 BMT Cd1 . 50575 1
6 . 1 . 1 1 1 BMT CD2 C 13 36.71 0.10 . 1 . . . . . 1 BMT Cd2 . 50575 1
7 . 1 . 1 1 1 BMT CE C 13 129.94 0.10 . 1 . . . . . 1 BMT Ce . 50575 1
8 . 1 . 1 1 1 BMT CZ C 13 126.31 0.10 . 1 . . . . . 1 BMT Cz . 50575 1
9 . 1 . 1 1 1 BMT CH C 13 17.95 0.10 . 1 . . . . . 1 BMT Ch . 50575 1
10 . 1 . 1 1 1 BMT NC C 13 35.45 0.10 . 1 . . . . . 1 BMT NC . 50575 1
11 . 1 . 1 1 1 BMT H H 1 3.477 0.01 . 1 . . . . . 1 BMT HN . 50575 1
12 . 1 . 1 1 1 BMT HA H 1 5.789 0.01 . 1 . . . . . 1 BMT Ha . 50575 1
13 . 1 . 1 1 1 BMT HB H 1 3.593 0.01 . 1 . . . . . 1 BMT Hb . 50575 1
14 . 1 . 1 1 1 BMT HG1 H 1 4.858 0.05 . 1 . . . . . 1 BMT Hg1 . 50575 1
15 . 1 . 1 1 1 BMT HG2 H 1 1.421 0.02 . 1 . . . . . 1 BMT Hg2 . 50575 1
16 . 1 . 1 1 1 BMT HD1 H 1 0.561 0.01 . 1 . . . . . 1 BMT Hd1 . 50575 1
17 . 1 . 1 1 1 BMT HD22 H 1 2.594 0.01 . 2 . . . . . 1 BMT Hd22 . 50575 1
18 . 1 . 1 1 1 BMT HD23 H 1 1.420 0.01 . 2 . . . . . 1 BMT Hd23 . 50575 1
19 . 1 . 1 1 1 BMT HE H 1 5.311 0.02 . 1 . . . . . 1 BMT He . 50575 1
20 . 1 . 1 1 1 BMT HZ H 1 5.338 0.02 . 1 . . . . . 1 BMT Hz . 50575 1
21 . 1 . 1 1 1 BMT HH H 1 1.617 0.01 . 1 . . . . . 1 BMT Hh . 50575 1
22 . 1 . 1 1 1 BMT NC N 15 115.77 0.10 . 1 . . . . . 1 BMT NC . 50575 1
23 . 1 . 1 2 2 ABU C C 13 174.43 0.10 . 1 . . . . . 2 ABU C . 50575 1
24 . 1 . 1 2 2 ABU CA C 13 49.24 0.10 . 1 . . . . . 2 ABU Ca . 50575 1
25 . 1 . 1 2 2 ABU CB C 13 25.26 0.10 . 1 . . . . . 2 ABU Cb . 50575 1
26 . 1 . 1 2 2 ABU CG C 13 10.31 0.10 . 1 . . . . . 2 ABU Cg . 50575 1
27 . 1 . 1 2 2 ABU H H 1 8.072 0.01 . 1 . . . . . 2 ABU H . 50575 1
28 . 1 . 1 2 2 ABU HA H 1 4.981 0.01 . 1 . . . . . 2 ABU Ha . 50575 1
29 . 1 . 1 2 2 ABU HB2 H 1 1.698 0.02 . 1 . . . . . 2 ABU Hb2 . 50575 1
30 . 1 . 1 2 2 ABU HB3 H 1 1.514 0.02 . 1 . . . . . 2 ABU Hb3 . 50575 1
31 . 1 . 1 2 2 ABU HG H 1 0.814 0.02 . 1 . . . . . 2 ABU Hg . 50575 1
32 . 1 . 1 2 2 ABU N N 15 118.21 0.10 . 1 . . . . . 2 ABU N . 50575 1
33 . 1 . 1 3 3 SAR C C 13 171.68 0.10 . 1 . . . . . 3 SAR C . 50575 1
34 . 1 . 1 3 3 SAR CA C 13 50.53 0.10 . 1 . . . . . 3 SAR Ca . 50575 1
35 . 1 . 1 3 3 SAR NC C 13 39.56 0.10 . 1 . . . . . 3 SAR NC . 50575 1
36 . 1 . 1 3 3 SAR H H 1 3.354 0.01 . 1 . . . . . 3 SAR HN . 50575 1
37 . 1 . 1 3 3 SAR HA2 H 1 4.737 0.02 . 2 . . . . . 3 SAR Ha2 . 50575 1
38 . 1 . 1 3 3 SAR HA3 H 1 3.191 0.01 . 2 . . . . . 3 SAR Ha3 . 50575 1
39 . 1 . 1 3 3 SAR NC N 15 112.53 0.10 . 1 . . . . . 3 SAR NC . 50575 1
40 . 1 . 1 4 4 MLE C C 13 169.880 0.10 . 1 . . . . . 4 MLE C . 50575 1
41 . 1 . 1 4 4 MLE CA C 13 55.66 0.10 . 1 . . . . . 4 MLE Ca . 50575 1
42 . 1 . 1 4 4 MLE CB C 13 36.17 0.10 . 1 . . . . . 4 MLE Cb . 50575 1
43 . 1 . 1 4 4 MLE CG C 13 24.81 0.10 . 1 . . . . . 4 MLE Cg . 50575 1
44 . 1 . 1 4 4 MLE CD1 C 13 23.44 0.10 . 1 . . . . . 4 MLE Cd1 . 50575 1
45 . 1 . 1 4 4 MLE CD2 C 13 21.10 0.10 . 1 . . . . . 4 MLE Cd2 . 50575 1
46 . 1 . 1 4 4 MLE NC C 13 31.49 0.10 . 1 . . . . . 4 MLE NC . 50575 1
47 . 1 . 1 4 4 MLE H H 1 3.112 0.01 . 1 . . . . . 4 MLE HN . 50575 1
48 . 1 . 1 4 4 MLE HA H 1 5.324 0.02 . 2 . . . . . 4 MLE Ha . 50575 1
49 . 1 . 1 4 4 MLE HB2 H 1 1.982 0.02 . 2 . . . . . 4 MLE Hb2 . 50575 1
50 . 1 . 1 4 4 MLE HB3 H 1 1.599 0.02 . 2 . . . . . 4 MLE Hb3 . 50575 1
51 . 1 . 1 4 4 MLE HG H 1 1.418 0.02 . 1 . . . . . 4 MLE Hg . 50575 1
52 . 1 . 1 4 4 MLE HD11 H 1 0.921 0.02 . 1 . . . . . 4 MLE Hd1 . 50575 1
53 . 1 . 1 4 4 MLE HD12 H 1 0.921 0.02 . 1 . . . . . 4 MLE Hd1 . 50575 1
54 . 1 . 1 4 4 MLE HD13 H 1 0.921 0.02 . 1 . . . . . 4 MLE Hd1 . 50575 1
55 . 1 . 1 4 4 MLE HD21 H 1 0.846 0.02 . 1 . . . . . 4 MLE Hd2 . 50575 1
56 . 1 . 1 4 4 MLE HD22 H 1 0.846 0.02 . 1 . . . . . 4 MLE Hd2 . 50575 1
57 . 1 . 1 4 4 MLE HD23 H 1 0.846 0.02 . 1 . . . . . 4 MLE Hd2 . 50575 1
58 . 1 . 1 4 4 MLE NC N 15 116.86 0.10 . 1 . . . . . 4 MLE NC . 50575 1
59 . 1 . 1 5 5 VAL C C 13 173.74 0.10 . 1 . . . . . 5 VAL C . 50575 1
60 . 1 . 1 5 5 VAL CA C 13 55.44 0.10 . 1 . . . . . 5 VAL Ca . 50575 1
61 . 1 . 1 5 5 VAL CB C 13 31.14 0.10 . 1 . . . . . 5 VAL Cb . 50575 1
62 . 1 . 1 5 5 VAL CG1 C 13 19.74 0.10 . 1 . . . . . 5 VAL Cg1 . 50575 1
63 . 1 . 1 5 5 VAL CG2 C 13 18.63 0.10 . 1 . . . . . 5 VAL Cg2 . 50575 1
64 . 1 . 1 5 5 VAL H H 1 7.419 0.01 . 1 . . . . . 5 VAL H . 50575 1
65 . 1 . 1 5 5 VAL HA H 1 4.752 0.01 . 1 . . . . . 5 VAL Ha . 50575 1
66 . 1 . 1 5 5 VAL HB H 1 2.412 0.01 . 1 . . . . . 5 VAL Hb . 50575 1
67 . 1 . 1 5 5 VAL HG11 H 1 1.069 0.01 . 1 . . . . . 5 VAL Hg1 . 50575 1
68 . 1 . 1 5 5 VAL HG12 H 1 1.069 0.01 . 1 . . . . . 5 VAL Hg1 . 50575 1
69 . 1 . 1 5 5 VAL HG13 H 1 1.069 0.01 . 1 . . . . . 5 VAL Hg1 . 50575 1
70 . 1 . 1 5 5 VAL HG21 H 1 0.935 0.02 . 1 . . . . . 5 VAL Hg2 . 50575 1
71 . 1 . 1 5 5 VAL HG22 H 1 0.935 0.02 . 1 . . . . . 5 VAL Hg2 . 50575 1
72 . 1 . 1 5 5 VAL HG23 H 1 0.935 0.02 . 1 . . . . . 5 VAL Hg2 . 50575 1
73 . 1 . 1 5 5 VAL N N 15 117.13 0.10 . 1 . . . . . 5 VAL N . 50575 1
74 . 1 . 1 6 6 MLE C C 13 171.31 0.10 . 1 . . . . . 6 MLE C . 50575 1
75 . 1 . 1 6 6 MLE CA C 13 57.06 0.10 . 1 . . . . . 6 MLE Ca . 50575 1
76 . 1 . 1 6 6 MLE CB C 13 39.00 0.10 . 1 . . . . . 6 MLE Cb . 50575 1
77 . 1 . 1 6 6 MLE CG C 13 25.18 0.20 . 1 . . . . . 6 MLE Cg . 50575 1
78 . 1 . 1 6 6 MLE CD1 C 13 22.54 0.10 . 1 . . . . . 6 MLE Cd1 . 50575 1
79 . 1 . 1 6 6 MLE CD2 C 13 24.12 0.10 . 1 . . . . . 6 MLE Cd2 . 50575 1
80 . 1 . 1 6 6 MLE NC C 13 31.88 0.10 . 1 . . . . . 6 MLE NC . 50575 1
81 . 1 . 1 6 6 MLE H H 1 3.249 0.01 . 1 . . . . . 6 MLE NH . 50575 1
82 . 1 . 1 6 6 MLE HA H 1 4.724 0.02 . 1 . . . . . 6 MLE Ha . 50575 1
83 . 1 . 1 6 6 MLE HB2 H 1 1.998 0.02 . 2 . . . . . 6 MLE Hb2 . 50575 1
84 . 1 . 1 6 6 MLE HB3 H 1 1.382 0.02 . 2 . . . . . 6 MLE Hb3 . 50575 1
85 . 1 . 1 6 6 MLE HG H 1 1.697 0.02 . 1 . . . . . 6 MLE Hg . 50575 1
86 . 1 . 1 6 6 MLE HD11 H 1 0.953 0.02 . 1 . . . . . 6 MLE Hd1 . 50575 1
87 . 1 . 1 6 6 MLE HD12 H 1 0.953 0.02 . 1 . . . . . 6 MLE Hd1 . 50575 1
88 . 1 . 1 6 6 MLE HD13 H 1 0.953 0.02 . 1 . . . . . 6 MLE Hd1 . 50575 1
89 . 1 . 1 6 6 MLE HD21 H 1 0.891 0.02 . 1 . . . . . 6 MLE Hd2 . 50575 1
90 . 1 . 1 6 6 MLE HD22 H 1 0.891 0.02 . 1 . . . . . 6 MLE Hd2 . 50575 1
91 . 1 . 1 6 6 MLE HD23 H 1 0.891 0.02 . 1 . . . . . 6 MLE Hd2 . 50575 1
92 . 1 . 1 6 6 MLE NC N 15 120.11 0.10 . 1 . . . . . 6 MLE NC . 50575 1
93 . 1 . 1 7 7 ALA C C 13 171.39 0.10 . 1 . . . . . 7 ALA C . 50575 1
94 . 1 . 1 7 7 ALA CA C 13 48.80 0.10 . 1 . . . . . 7 ALA Ca . 50575 1
95 . 1 . 1 7 7 ALA CB C 13 18.22 0.10 . 1 . . . . . 7 ALA Cb . 50575 1
96 . 1 . 1 7 7 ALA HA H 1 4.598 0.01 . 1 . . . . . 7 ALA Ha . 50575 1
97 . 1 . 1 7 7 ALA HB1 H 1 1.186 0.01 . 1 . . . . . 7 ALA Hb . 50575 1
98 . 1 . 1 7 7 ALA HB2 H 1 1.186 0.01 . 1 . . . . . 7 ALA Hb . 50575 1
99 . 1 . 1 7 7 ALA HB3 H 1 1.186 0.01 . 1 . . . . . 7 ALA Hb . 50575 1
100 . 1 . 1 7 7 ALA H H 1 8.391 0.01 . 1 . . . . . 7 ALA H . 50575 1
101 . 1 . 1 7 7 ALA N N 15 126.66 0.10 . 1 . . . . . 7 ALA N . 50575 1
102 . 1 . 1 8 8 DAL C C 13 174.40 0.10 . 1 . . . . . 8 DAL C . 50575 1
103 . 1 . 1 8 8 DAL CA C 13 46.89 0.10 . 1 . . . . . 8 DAL Ca . 50575 1
104 . 1 . 1 8 8 DAL CB C 13 18.51 0.10 . 1 . . . . . 8 DAL Cb . 50575 1
105 . 1 . 1 8 8 DAL HA H 1 4.723 0.02 . 1 . . . . . 8 DAL Ha . 50575 1
106 . 1 . 1 8 8 DAL HB1 H 1 1.313 0.01 . 1 . . . . . 8 DAL Hb . 50575 1
107 . 1 . 1 8 8 DAL HB2 H 1 1.313 0.01 . 1 . . . . . 8 DAL Hb . 50575 1
108 . 1 . 1 8 8 DAL HB3 H 1 1.313 0.01 . 1 . . . . . 8 DAL Hb . 50575 1
109 . 1 . 1 8 8 DAL H H 1 7.775 0.01 . 1 . . . . . 8 DAL H . 50575 1
110 . 1 . 1 8 8 DAL N N 15 115.91 0.10 . 1 . . . . . 8 DAL N . 50575 1
111 . 1 . 1 9 9 MLE C C 13 169.89 0.10 . 1 . . . . . 9 MLE C . 50575 1
112 . 1 . 1 9 9 MLE CA C 13 49.40 0.10 . 1 . . . . . 9 MLE Ca . 50575 1
113 . 1 . 1 9 9 MLE CB C 13 38.91 0.10 . 1 . . . . . 9 MLE Cb . 50575 1
114 . 1 . 1 9 9 MLE CG C 13 24.57 0.10 . 1 . . . . . 9 MLE Cg . 50575 1
115 . 1 . 1 9 9 MLE CD1 C 13 23.40 0.10 . 1 . . . . . 9 MLE Cd1 . 50575 1
116 . 1 . 1 9 9 MLE CD2 C 13 21.32 0.10 . 1 . . . . . 9 MLE Cd2 . 50575 1
117 . 1 . 1 9 9 MLE NC C 13 30.00 0.10 . 1 . . . . . 9 MLE NC . 50575 1
118 . 1 . 1 9 9 MLE H H 1 3.100 0.01 . 1 . . . . . 9 MLE NH . 50575 1
119 . 1 . 1 9 9 MLE HA H 1 5.659 0.01 . 1 . . . . . 9 MLE Ha . 50575 1
120 . 1 . 1 9 9 MLE HB2 H 1 2.093 0.02 . 2 . . . . . 9 MLE Hb2 . 50575 1
121 . 1 . 1 9 9 MLE HB3 H 1 1.291 0.02 . 2 . . . . . 9 MLE Hb3 . 50575 1
122 . 1 . 1 9 9 MLE HG H 1 1.359 0.02 . 1 . . . . . 9 MLE Hg . 50575 1
123 . 1 . 1 9 9 MLE HD11 H 1 0.938 0.02 . 1 . . . . . 9 MLE Hd1 . 50575 1
124 . 1 . 1 9 9 MLE HD12 H 1 0.938 0.02 . 1 . . . . . 9 MLE Hd1 . 50575 1
125 . 1 . 1 9 9 MLE HD13 H 1 0.938 0.02 . 1 . . . . . 9 MLE Hd1 . 50575 1
126 . 1 . 1 9 9 MLE HD21 H 1 0.840 0.02 . 1 . . . . . 9 MLE Hd2 . 50575 1
127 . 1 . 1 9 9 MLE HD22 H 1 0.840 0.02 . 1 . . . . . 9 MLE Hd2 . 50575 1
128 . 1 . 1 9 9 MLE HD23 H 1 0.840 0.02 . 1 . . . . . 9 MLE Hd2 . 50575 1
129 . 1 . 1 9 9 MLE NC N 15 113.58 0.10 . 1 . . . . . 9 MLE NC . 50575 1
130 . 1 . 1 10 10 MLE C C 13 168.49 0.10 . 1 . . . . . 10 MLE C . 50575 1
131 . 1 . 1 10 10 MLE CA C 13 57.77 0.10 . 1 . . . . . 10 MLE Ca . 50575 1
132 . 1 . 1 10 10 MLE CB C 13 38.27 0.10 . 1 . . . . . 10 MLE Cb . 50575 1
133 . 1 . 1 10 10 MLE CG C 13 24.64 0.10 . 1 . . . . . 10 MLE Cg . 50575 1
134 . 1 . 1 10 10 MLE CD1 C 13 22.79 0.20 . 2 . . . . . 10 MLE Cd1 . 50575 1
135 . 1 . 1 10 10 MLE CD2 C 13 22.85 0.20 . 2 . . . . . 10 MLE Cd2 . 50575 1
136 . 1 . 1 10 10 MLE NC C 13 29.08 0.10 . 1 . . . . . 10 MLE NC . 50575 1
137 . 1 . 1 10 10 MLE H H 1 2.846 0.01 . 1 . . . . . 10 MLE NH . 50575 1
138 . 1 . 1 10 10 MLE HA H 1 5.065 0.01 . 1 . . . . . 10 MLE Ha . 50575 1
139 . 1 . 1 10 10 MLE HB2 H 1 1.838 0.01 . 2 . . . . . 10 MLE Hb2 . 50575 1
140 . 1 . 1 10 10 MLE HB3 H 1 1.499 0.02 . 2 . . . . . 10 MLE Hb3 . 50575 1
141 . 1 . 1 10 10 MLE HG H 1 1.434 0.02 . 1 . . . . . 10 MLE Hg . 50575 1
142 . 1 . 1 10 10 MLE HD11 H 1 0.949 0.02 . 2 . . . . . 10 MLE Hd1 . 50575 1
143 . 1 . 1 10 10 MLE HD12 H 1 0.949 0.02 . 2 . . . . . 10 MLE Hd1 . 50575 1
144 . 1 . 1 10 10 MLE HD13 H 1 0.949 0.02 . 2 . . . . . 10 MLE Hd1 . 50575 1
145 . 1 . 1 10 10 MLE HD21 H 1 0.952 0.02 . 2 . . . . . 10 MLE Hd2 . 50575 1
146 . 1 . 1 10 10 MLE HD22 H 1 0.952 0.02 . 2 . . . . . 10 MLE Hd2 . 50575 1
147 . 1 . 1 10 10 MLE HD23 H 1 0.952 0.02 . 2 . . . . . 10 MLE Hd2 . 50575 1
148 . 1 . 1 10 10 MLE NC N 15 120.81 0.10 . 1 . . . . . 10 MLE NC . 50575 1
149 . 1 . 1 11 11 VAL C C 13 173.40 0.10 . 1 . . . . . 11 VAL C . 50575 1
150 . 1 . 1 11 11 VAL CA C 13 52.48 0.10 . 1 . . . . . 11 VAL Ca . 50575 1
151 . 1 . 1 11 11 VAL CB C 13 32.82 0.10 . 1 . . . . . 11 VAL Cb . 50575 1
152 . 1 . 1 11 11 VAL CG1 C 13 19.07 0.10 . 1 . . . . . 11 VAL Cg1 . 50575 1
153 . 1 . 1 11 11 VAL CG2 C 13 17.39 0.10 . 1 . . . . . 11 VAL Cg2 . 50575 1
154 . 1 . 1 11 11 VAL HA H 1 4.892 0.01 . 1 . . . . . 11 VAL Ha . 50575 1
155 . 1 . 1 11 11 VAL HB H 1 1.617 0.02 . 1 . . . . . 11 VAL Hb . 50575 1
156 . 1 . 1 11 11 VAL HG11 H 1 0.827 0.02 . 1 . . . . . 11 VAL Hg1 . 50575 1
157 . 1 . 1 11 11 VAL HG12 H 1 0.827 0.02 . 1 . . . . . 11 VAL Hg1 . 50575 1
158 . 1 . 1 11 11 VAL HG13 H 1 0.827 0.02 . 1 . . . . . 11 VAL Hg1 . 50575 1
159 . 1 . 1 11 11 VAL HG21 H 1 0.629 0.01 . 1 . . . . . 11 VAL Hg2 . 50575 1
160 . 1 . 1 11 11 VAL HG22 H 1 0.629 0.01 . 1 . . . . . 11 VAL Hg2 . 50575 1
161 . 1 . 1 11 11 VAL HG23 H 1 0.629 0.01 . 1 . . . . . 11 VAL Hg2 . 50575 1
162 . 1 . 1 11 11 VAL H H 1 7.035 0.01 . 1 . . . . . 11 VAL H . 50575 1
163 . 1 . 1 11 11 VAL N N 15 119.86 0.10 . 1 . . . . . 11 VAL N . 50575 1
stop_
save_