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 36730
_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 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.2
_Assigned_chem_shift_list.Chem_shift_15N_err 0.2
_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 HSQC' 1 $sample_1 isotropic 36730 1
2 '2D 1H-1H COSY' 1 $sample_1 isotropic 36730 1
3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36730 1
4 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36730 1
5 '2D 1H-13C HMBC' 1 $sample_1 isotropic 36730 1
6 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36730 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 3 3 PRO HA H 1 4.434 0.00 . 1 . . . . A 3 PRO HA . 36730 1
2 . 1 . 1 3 3 PRO HB2 H 1 2.368 0.00 . 1 . . . . A 3 PRO HB2 . 36730 1
3 . 1 . 1 3 3 PRO HB3 H 1 1.980 0.00 . 1 . . . . A 3 PRO HB3 . 36730 1
4 . 1 . 1 3 3 PRO HD2 H 1 3.724 0.01 . 1 . . . . A 3 PRO HD2 . 36730 1
5 . 1 . 1 3 3 PRO HD3 H 1 3.636 0.00 . 1 . . . . A 3 PRO HD3 . 36730 1
6 . 1 . 1 3 3 PRO HG2 H 1 2.039 0.00 . 1 . . . . A 3 PRO HG2 . 36730 1
7 . 1 . 1 3 3 PRO HG3 H 1 1.958 0.00 . 1 . . . . A 3 PRO HG3 . 36730 1
8 . 1 . 1 3 3 PRO C C 13 174.347 0.00 . 1 . . . . A 3 PRO C . 36730 1
9 . 1 . 1 3 3 PRO CA C 13 63.093 0.00 . 1 . . . . A 3 PRO CA . 36730 1
10 . 1 . 1 3 3 PRO CB C 13 30.498 0.00 . 1 . . . . A 3 PRO CB . 36730 1
11 . 1 . 1 3 3 PRO CD C 13 50.633 0.02 . 1 . . . . A 3 PRO CD . 36730 1
12 . 1 . 1 3 3 PRO CG C 13 25.875 0.01 . 1 . . . . A 3 PRO CG . 36730 1
13 . 1 . 1 4 4 DBU H H 1 8.623 0.00 . 1 . . . . A 4 DBU H . 36730 1
14 . 1 . 1 4 4 DBU HB H 1 6.582 0.00 . 1 . . . . A 4 DBU HB . 36730 1
15 . 1 . 1 4 4 DBU HG1 H 1 1.783 0.00 . 1 . . . . A 4 DBU HG1 . 36730 1
16 . 1 . 1 4 4 DBU HG2 H 1 1.783 0.00 . 1 . . . . A 4 DBU HG2 . 36730 1
17 . 1 . 1 4 4 DBU HG3 H 1 1.783 0.00 . 1 . . . . A 4 DBU HG3 . 36730 1
18 . 1 . 1 4 4 DBU C C 13 167.326 0.01 . 1 . . . . A 4 DBU C . 36730 1
19 . 1 . 1 4 4 DBU CB C 13 131.918 0.00 . 1 . . . . A 4 DBU CB . 36730 1
20 . 1 . 1 4 4 DBU CG C 13 12.722 0.02 . 1 . . . . A 4 DBU CG . 36730 1
21 . 1 . 1 5 5 LEU H H 1 8.005 0.00 . 1 . . . . A 5 LEU H . 36730 1
22 . 1 . 1 5 5 LEU HA H 1 4.346 0.00 . 1 . . . . A 5 LEU HA . 36730 1
23 . 1 . 1 5 5 LEU HB2 H 1 1.774 0.00 . 1 . . . . A 5 LEU HB2 . 36730 1
24 . 1 . 1 5 5 LEU HB3 H 1 1.620 0.01 . 1 . . . . A 5 LEU HB3 . 36730 1
25 . 1 . 1 5 5 LEU HD11 H 1 0.904 0.00 . 1 . . . . A 5 LEU HD11 . 36730 1
26 . 1 . 1 5 5 LEU HD12 H 1 0.904 0.00 . 1 . . . . A 5 LEU HD12 . 36730 1
27 . 1 . 1 5 5 LEU HD13 H 1 0.904 0.00 . 1 . . . . A 5 LEU HD13 . 36730 1
28 . 1 . 1 5 5 LEU HD21 H 1 0.869 0.00 . 1 . . . . A 5 LEU HD21 . 36730 1
29 . 1 . 1 5 5 LEU HD22 H 1 0.869 0.00 . 1 . . . . A 5 LEU HD22 . 36730 1
30 . 1 . 1 5 5 LEU HD23 H 1 0.869 0.00 . 1 . . . . A 5 LEU HD23 . 36730 1
31 . 1 . 1 5 5 LEU C C 13 174.867 0.00 . 1 . . . . A 5 LEU C . 36730 1
32 . 1 . 1 5 5 LEU CA C 13 54.427 0.00 . 1 . . . . A 5 LEU CA . 36730 1
33 . 1 . 1 5 5 LEU CB C 13 40.397 0.02 . 1 . . . . A 5 LEU CB . 36730 1
34 . 1 . 1 5 5 LEU CD1 C 13 23.069 0.00 . 1 . . . . A 5 LEU CD1 . 36730 1
35 . 1 . 1 5 5 LEU CD2 C 13 20.904 0.00 . 1 . . . . A 5 LEU CD2 . 36730 1
36 . 1 . 1 5 5 LEU N N 15 116.000 0.00 . 1 . . . . A 5 LEU N . 36730 1
37 . 1 . 1 6 6 DAL H H 1 7.862 0.00 . 1 . . . . A 6 DAL H . 36730 1
38 . 1 . 1 6 6 DAL HA H 1 4.578 0.00 . 1 . . . . A 6 DAL HA . 36730 1
39 . 1 . 1 6 6 DAL HB1 H 1 3.474 0.00 . 1 . . . . A 6 DAL HB1 . 36730 1
40 . 1 . 1 6 6 DAL HB2 H 1 2.885 0.00 . 1 . . . . A 6 DAL HB2 . 36730 1
41 . 1 . 1 6 6 DAL HB3 H 1 3.474 0.00 . 1 . . . . A 6 DAL HB3 . 36730 1
42 . 1 . 1 6 6 DAL C C 13 172.550 0.00 . 1 . . . . A 6 DAL C . 36730 1
43 . 1 . 1 6 6 DAL CA C 13 54.876 0.00 . 1 . . . . A 6 DAL CA . 36730 1
44 . 1 . 1 6 6 DAL CB C 13 32.564 0.00 . 1 . . . . A 6 DAL CB . 36730 1
45 . 1 . 1 6 6 DAL N N 15 112.231 0.00 . 1 . . . . A 6 DAL N . 36730 1
46 . 1 . 1 7 7 DBU H H 1 9.179 0.00 . 1 . . . . A 7 DBU H . 36730 1
47 . 1 . 1 7 7 DBU HB H 1 6.001 0.00 . 1 . . . . A 7 DBU HB . 36730 1
48 . 1 . 1 7 7 DBU HG1 H 1 1.844 0.00 . 1 . . . . A 7 DBU HG1 . 36730 1
49 . 1 . 1 7 7 DBU HG2 H 1 1.844 0.00 . 1 . . . . A 7 DBU HG2 . 36730 1
50 . 1 . 1 7 7 DBU HG3 H 1 1.844 0.00 . 1 . . . . A 7 DBU HG3 . 36730 1
51 . 1 . 1 7 7 DBU C C 13 169.673 0.04 . 1 . . . . A 7 DBU C . 36730 1
52 . 1 . 1 7 7 DBU CA C 13 131.816 0.00 . 1 . . . . A 7 DBU CA . 36730 1
53 . 1 . 1 7 7 DBU CB C 13 124.906 0.00 . 1 . . . . A 7 DBU CB . 36730 1
54 . 1 . 1 7 7 DBU CG C 13 12.038 0.00 . 1 . . . . A 7 DBU CG . 36730 1
55 . 1 . 1 7 7 DBU N N 15 122.446 0.00 . 1 . . . . A 7 DBU N . 36730 1
56 . 1 . 1 8 8 ALA H H 1 8.986 0.00 . 1 . . . . A 8 ALA H . 36730 1
57 . 1 . 1 8 8 ALA HA H 1 4.079 0.00 . 1 . . . . A 8 ALA HA . 36730 1
58 . 1 . 1 8 8 ALA HB1 H 1 1.499 0.00 . 1 . . . . A 8 ALA HB1 . 36730 1
59 . 1 . 1 8 8 ALA HB2 H 1 1.499 0.00 . 1 . . . . A 8 ALA HB2 . 36730 1
60 . 1 . 1 8 8 ALA HB3 H 1 1.499 0.00 . 1 . . . . A 8 ALA HB3 . 36730 1
61 . 1 . 1 8 8 ALA C C 13 177.688 0.04 . 1 . . . . A 8 ALA C . 36730 1
62 . 1 . 1 8 8 ALA CA C 13 53.565 0.03 . 1 . . . . A 8 ALA CA . 36730 1
63 . 1 . 1 8 8 ALA CB C 13 16.595 0.00 . 1 . . . . A 8 ALA CB . 36730 1
64 . 1 . 1 8 8 ALA N N 15 124.427 0.00 . 1 . . . . A 8 ALA N . 36730 1
65 . 1 . 1 9 9 VAL H H 1 7.682 0.00 . 1 . . . . A 9 VAL H . 36730 1
66 . 1 . 1 9 9 VAL HA H 1 3.755 0.00 . 1 . . . . A 9 VAL HA . 36730 1
67 . 1 . 1 9 9 VAL HB H 1 2.367 0.00 . 1 . . . . A 9 VAL HB . 36730 1
68 . 1 . 1 9 9 VAL HG11 H 1 1.044 0.00 . 1 . . . . A 9 VAL HG11 . 36730 1
69 . 1 . 1 9 9 VAL HG12 H 1 1.044 0.00 . 1 . . . . A 9 VAL HG12 . 36730 1
70 . 1 . 1 9 9 VAL HG13 H 1 1.044 0.00 . 1 . . . . A 9 VAL HG13 . 36730 1
71 . 1 . 1 9 9 VAL HG21 H 1 1.127 0.00 . 1 . . . . A 9 VAL HG21 . 36730 1
72 . 1 . 1 9 9 VAL HG22 H 1 1.127 0.00 . 1 . . . . A 9 VAL HG22 . 36730 1
73 . 1 . 1 9 9 VAL HG23 H 1 1.127 0.00 . 1 . . . . A 9 VAL HG23 . 36730 1
74 . 1 . 1 9 9 VAL C C 13 175.839 0.00 . 1 . . . . A 9 VAL C . 36730 1
75 . 1 . 1 9 9 VAL CA C 13 64.537 0.00 . 1 . . . . A 9 VAL CA . 36730 1
76 . 1 . 1 9 9 VAL CB C 13 29.917 0.00 . 1 . . . . A 9 VAL CB . 36730 1
77 . 1 . 1 9 9 VAL CG1 C 13 19.099 0.00 . 1 . . . . A 9 VAL CG1 . 36730 1
78 . 1 . 1 9 9 VAL CG2 C 13 20.283 0.00 . 1 . . . . A 9 VAL CG2 . 36730 1
79 . 1 . 1 9 9 VAL N N 15 116.269 0.00 . 1 . . . . A 9 VAL N . 36730 1
80 . 1 . 1 10 10 CYS H H 1 7.691 0.00 . 1 . . . . A 10 CYS H . 36730 1
81 . 1 . 1 10 10 CYS HA H 1 4.018 0.00 . 1 . . . . A 10 CYS HA . 36730 1
82 . 1 . 1 10 10 CYS HB2 H 1 2.986 0.00 . 1 . . . . A 10 CYS HB2 . 36730 1
83 . 1 . 1 10 10 CYS HB3 H 1 2.947 0.00 . 1 . . . . A 10 CYS HB3 . 36730 1
84 . 1 . 1 10 10 CYS C C 13 174.112 0.00 . 1 . . . . A 10 CYS C . 36730 1
85 . 1 . 1 10 10 CYS CA C 13 60.154 0.00 . 1 . . . . A 10 CYS CA . 36730 1
86 . 1 . 1 10 10 CYS CB C 13 32.034 0.00 . 1 . . . . A 10 CYS CB . 36730 1
87 . 1 . 1 10 10 CYS N N 15 119.878 0.00 . 1 . . . . A 10 CYS N . 36730 1
88 . 1 . 1 11 11 ALA H H 1 8.217 0.00 . 1 . . . . A 11 ALA H . 36730 1
89 . 1 . 1 11 11 ALA HA H 1 3.927 0.00 . 1 . . . . A 11 ALA HA . 36730 1
90 . 1 . 1 11 11 ALA HB1 H 1 1.436 0.00 . 1 . . . . A 11 ALA HB1 . 36730 1
91 . 1 . 1 11 11 ALA HB2 H 1 1.436 0.00 . 1 . . . . A 11 ALA HB2 . 36730 1
92 . 1 . 1 11 11 ALA HB3 H 1 1.436 0.00 . 1 . . . . A 11 ALA HB3 . 36730 1
93 . 1 . 1 11 11 ALA C C 13 176.905 0.03 . 1 . . . . A 11 ALA C . 36730 1
94 . 1 . 1 11 11 ALA CA C 13 53.878 0.00 . 1 . . . . A 11 ALA CA . 36730 1
95 . 1 . 1 11 11 ALA CB C 13 16.102 0.00 . 1 . . . . A 11 ALA CB . 36730 1
96 . 1 . 1 11 11 ALA N N 15 120.263 0.00 . 1 . . . . A 11 ALA N . 36730 1
97 . 1 . 1 12 12 DAL H H 1 8.418 0.00 . 1 . . . . A 12 DAL H . 36730 1
98 . 1 . 1 12 12 DAL HA H 1 3.966 0.00 . 1 . . . . A 12 DAL HA . 36730 1
99 . 1 . 1 12 12 DAL HB1 H 1 1.460 0.00 . 1 . . . . A 12 DAL HB1 . 36730 1
100 . 1 . 1 12 12 DAL HB2 H 1 1.460 0.00 . 1 . . . . A 12 DAL HB2 . 36730 1
101 . 1 . 1 12 12 DAL HB3 H 1 1.460 0.00 . 1 . . . . A 12 DAL HB3 . 36730 1
102 . 1 . 1 12 12 DAL C C 13 174.215 0.03 . 1 . . . . A 12 DAL C . 36730 1
103 . 1 . 1 12 12 DAL CA C 13 50.377 0.01 . 1 . . . . A 12 DAL CA . 36730 1
104 . 1 . 1 12 12 DAL CB C 13 14.675 0.00 . 1 . . . . A 12 DAL CB . 36730 1
105 . 1 . 1 12 12 DAL N N 15 117.193 0.00 . 1 . . . . A 12 DAL N . 36730 1
106 . 1 . 1 13 13 ALA H H 1 8.092 0.00 . 1 . . . . A 13 ALA H . 36730 1
107 . 1 . 1 13 13 ALA HA H 1 4.073 0.00 . 1 . . . . A 13 ALA HA . 36730 1
108 . 1 . 1 13 13 ALA HB1 H 1 1.519 0.00 . 1 . . . . A 13 ALA HB1 . 36730 1
109 . 1 . 1 13 13 ALA HB2 H 1 1.519 0.00 . 1 . . . . A 13 ALA HB2 . 36730 1
110 . 1 . 1 13 13 ALA HB3 H 1 1.519 0.00 . 1 . . . . A 13 ALA HB3 . 36730 1
111 . 1 . 1 13 13 ALA C C 13 177.385 0.03 . 1 . . . . A 13 ALA C . 36730 1
112 . 1 . 1 13 13 ALA CA C 13 53.954 0.04 . 1 . . . . A 13 ALA CA . 36730 1
113 . 1 . 1 13 13 ALA CB C 13 16.360 0.00 . 1 . . . . A 13 ALA CB . 36730 1
114 . 1 . 1 13 13 ALA N N 15 121.935 0.00 . 1 . . . . A 13 ALA N . 36730 1
115 . 1 . 1 14 14 VAL H H 1 7.910 0.00 . 1 . . . . A 14 VAL H . 36730 1
116 . 1 . 1 14 14 VAL HA H 1 3.507 0.00 . 1 . . . . A 14 VAL HA . 36730 1
117 . 1 . 1 14 14 VAL HB H 1 2.178 0.00 . 1 . . . . A 14 VAL HB . 36730 1
118 . 1 . 1 14 14 VAL HG11 H 1 0.924 0.00 . 1 . . . . A 14 VAL HG11 . 36730 1
119 . 1 . 1 14 14 VAL HG12 H 1 0.924 0.00 . 1 . . . . A 14 VAL HG12 . 36730 1
120 . 1 . 1 14 14 VAL HG13 H 1 0.924 0.00 . 1 . . . . A 14 VAL HG13 . 36730 1
121 . 1 . 1 14 14 VAL HG21 H 1 1.050 0.00 . 1 . . . . A 14 VAL HG21 . 36730 1
122 . 1 . 1 14 14 VAL HG22 H 1 1.050 0.00 . 1 . . . . A 14 VAL HG22 . 36730 1
123 . 1 . 1 14 14 VAL HG23 H 1 1.050 0.00 . 1 . . . . A 14 VAL HG23 . 36730 1
124 . 1 . 1 14 14 VAL C C 13 174.551 0.06 . 1 . . . . A 14 VAL C . 36730 1
125 . 1 . 1 14 14 VAL CA C 13 64.788 0.00 . 1 . . . . A 14 VAL CA . 36730 1
126 . 1 . 1 14 14 VAL CB C 13 30.124 0.00 . 1 . . . . A 14 VAL CB . 36730 1
127 . 1 . 1 14 14 VAL CG1 C 13 19.181 0.00 . 1 . . . . A 14 VAL CG1 . 36730 1
128 . 1 . 1 14 14 VAL CG2 C 13 20.716 0.00 . 1 . . . . A 14 VAL CG2 . 36730 1
129 . 1 . 1 14 14 VAL N N 15 117.259 0.00 . 1 . . . . A 14 VAL N . 36730 1
130 . 1 . 1 15 15 DAL H H 1 8.556 0.00 . 1 . . . . A 15 DAL H . 36730 1
131 . 1 . 1 15 15 DAL HA H 1 3.919 0.00 . 1 . . . . A 15 DAL HA . 36730 1
132 . 1 . 1 15 15 DAL HB1 H 1 1.423 0.00 . 1 . . . . A 15 DAL HB1 . 36730 1
133 . 1 . 1 15 15 DAL HB2 H 1 1.423 0.00 . 1 . . . . A 15 DAL HB2 . 36730 1
134 . 1 . 1 15 15 DAL HB3 H 1 1.423 0.00 . 1 . . . . A 15 DAL HB3 . 36730 1
135 . 1 . 1 15 15 DAL C C 13 175.186 0.00 . 1 . . . . A 15 DAL C . 36730 1
136 . 1 . 1 15 15 DAL CA C 13 50.216 0.01 . 1 . . . . A 15 DAL CA . 36730 1
137 . 1 . 1 15 15 DAL CB C 13 14.716 0.00 . 1 . . . . A 15 DAL CB . 36730 1
138 . 1 . 1 15 15 DAL N N 15 119.200 0.00 . 1 . . . . A 15 DAL N . 36730 1
139 . 1 . 1 16 16 VAL H H 1 8.590 0.00 . 1 . . . . A 16 VAL H . 36730 1
140 . 1 . 1 16 16 VAL HA H 1 3.736 0.00 . 1 . . . . A 16 VAL HA . 36730 1
141 . 1 . 1 16 16 VAL HB H 1 2.377 0.00 . 1 . . . . A 16 VAL HB . 36730 1
142 . 1 . 1 16 16 VAL HG11 H 1 1.050 0.00 . 1 . . . . A 16 VAL HG11 . 36730 1
143 . 1 . 1 16 16 VAL HG12 H 1 1.050 0.00 . 1 . . . . A 16 VAL HG12 . 36730 1
144 . 1 . 1 16 16 VAL HG13 H 1 1.050 0.00 . 1 . . . . A 16 VAL HG13 . 36730 1
145 . 1 . 1 16 16 VAL HG21 H 1 1.170 0.00 . 1 . . . . A 16 VAL HG21 . 36730 1
146 . 1 . 1 16 16 VAL HG22 H 1 1.170 0.00 . 1 . . . . A 16 VAL HG22 . 36730 1
147 . 1 . 1 16 16 VAL HG23 H 1 1.170 0.00 . 1 . . . . A 16 VAL HG23 . 36730 1
148 . 1 . 1 16 16 VAL C C 13 175.942 0.04 . 1 . . . . A 16 VAL C . 36730 1
149 . 1 . 1 16 16 VAL CA C 13 65.691 0.00 . 1 . . . . A 16 VAL CA . 36730 1
150 . 1 . 1 16 16 VAL CB C 13 30.044 0.00 . 1 . . . . A 16 VAL CB . 36730 1
151 . 1 . 1 16 16 VAL CG1 C 13 19.178 0.00 . 1 . . . . A 16 VAL CG1 . 36730 1
152 . 1 . 1 16 16 VAL CG2 C 13 20.873 0.00 . 1 . . . . A 16 VAL CG2 . 36730 1
153 . 1 . 1 16 16 VAL N N 15 119.775 0.00 . 1 . . . . A 16 VAL N . 36730 1
154 . 1 . 1 17 17 DBU H H 1 9.479 0.00 . 1 . . . . A 17 DBU H . 36730 1
155 . 1 . 1 17 17 DBU HB H 1 6.242 0.00 . 1 . . . . A 17 DBU HB . 36730 1
156 . 1 . 1 17 17 DBU HG1 H 1 1.848 0.00 . 1 . . . . A 17 DBU HG1 . 36730 1
157 . 1 . 1 17 17 DBU HG2 H 1 1.848 0.00 . 1 . . . . A 17 DBU HG2 . 36730 1
158 . 1 . 1 17 17 DBU HG3 H 1 1.848 0.00 . 1 . . . . A 17 DBU HG3 . 36730 1
159 . 1 . 1 17 17 DBU C C 13 170.142 0.03 . 1 . . . . A 17 DBU C . 36730 1
160 . 1 . 1 17 17 DBU CA C 13 132.468 0.12 . 1 . . . . A 17 DBU CA . 36730 1
161 . 1 . 1 17 17 DBU CB C 13 127.392 0.00 . 1 . . . . A 17 DBU CB . 36730 1
162 . 1 . 1 17 17 DBU CG C 13 12.267 0.01 . 1 . . . . A 17 DBU CG . 36730 1
163 . 1 . 1 17 17 DBU N N 15 121.875 0.00 . 1 . . . . A 17 DBU N . 36730 1
164 . 1 . 1 18 18 VAL H H 1 8.535 0.00 . 1 . . . . A 18 VAL H . 36730 1
165 . 1 . 1 18 18 VAL HA H 1 3.902 0.00 . 1 . . . . A 18 VAL HA . 36730 1
166 . 1 . 1 18 18 VAL HB H 1 2.351 0.00 . 1 . . . . A 18 VAL HB . 36730 1
167 . 1 . 1 18 18 VAL HG11 H 1 1.058 0.00 . 1 . . . . A 18 VAL HG11 . 36730 1
168 . 1 . 1 18 18 VAL HG12 H 1 1.058 0.00 . 1 . . . . A 18 VAL HG12 . 36730 1
169 . 1 . 1 18 18 VAL HG13 H 1 1.058 0.00 . 1 . . . . A 18 VAL HG13 . 36730 1
170 . 1 . 1 18 18 VAL HG21 H 1 1.119 0.00 . 1 . . . . A 18 VAL HG21 . 36730 1
171 . 1 . 1 18 18 VAL HG22 H 1 1.119 0.00 . 1 . . . . A 18 VAL HG22 . 36730 1
172 . 1 . 1 18 18 VAL HG23 H 1 1.119 0.00 . 1 . . . . A 18 VAL HG23 . 36730 1
173 . 1 . 1 18 18 VAL C C 13 175.098 0.00 . 1 . . . . A 18 VAL C . 36730 1
174 . 1 . 1 18 18 VAL CA C 13 65.313 0.00 . 1 . . . . A 18 VAL CA . 36730 1
175 . 1 . 1 18 18 VAL CB C 13 30.005 0.00 . 1 . . . . A 18 VAL CB . 36730 1
176 . 1 . 1 18 18 VAL CG1 C 13 19.621 0.00 . 1 . . . . A 18 VAL CG1 . 36730 1
177 . 1 . 1 18 18 VAL CG2 C 13 21.078 0.00 . 1 . . . . A 18 VAL CG2 . 36730 1
178 . 1 . 1 18 18 VAL N N 15 120.616 0.00 . 1 . . . . A 18 VAL N . 36730 1
179 . 1 . 1 19 19 ALA H H 1 8.307 0.00 . 1 . . . . A 19 ALA H . 36730 1
180 . 1 . 1 19 19 ALA HA H 1 4.175 0.00 . 1 . . . . A 19 ALA HA . 36730 1
181 . 1 . 1 19 19 ALA HB1 H 1 1.703 0.00 . 1 . . . . A 19 ALA HB1 . 36730 1
182 . 1 . 1 19 19 ALA HB2 H 1 1.703 0.00 . 1 . . . . A 19 ALA HB2 . 36730 1
183 . 1 . 1 19 19 ALA HB3 H 1 1.703 0.00 . 1 . . . . A 19 ALA HB3 . 36730 1
184 . 1 . 1 19 19 ALA C C 13 177.116 0.06 . 1 . . . . A 19 ALA C . 36730 1
185 . 1 . 1 19 19 ALA CA C 13 54.163 0.01 . 1 . . . . A 19 ALA CA . 36730 1
186 . 1 . 1 19 19 ALA CB C 13 15.829 0.00 . 1 . . . . A 19 ALA CB . 36730 1
187 . 1 . 1 19 19 ALA N N 15 122.585 0.00 . 1 . . . . A 19 ALA N . 36730 1
188 . 1 . 1 20 20 DBB H H 1 9.310 0.00 . 1 . . . . A 20 DBB H . 36730 1
189 . 1 . 1 20 20 DBB HA H 1 3.466 0.00 . 1 . . . . A 20 DBB HA . 36730 1
190 . 1 . 1 20 20 DBB HB2 H 1 3.638 0.00 . 1 . . . . A 20 DBB HB2 . 36730 1
191 . 1 . 1 20 20 DBB HG1 H 1 1.287 0.00 . 1 . . . . A 20 DBB HG1 . 36730 1
192 . 1 . 1 20 20 DBB HG2 H 1 1.287 0.00 . 1 . . . . A 20 DBB HG2 . 36730 1
193 . 1 . 1 20 20 DBB HG3 H 1 1.287 0.00 . 1 . . . . A 20 DBB HG3 . 36730 1
194 . 1 . 1 20 20 DBB C C 13 173.062 0.08 . 1 . . . . A 20 DBB C . 36730 1
195 . 1 . 1 20 20 DBB CA C 13 57.111 0.01 . 1 . . . . A 20 DBB CA . 36730 1
196 . 1 . 1 20 20 DBB CB C 13 42.881 0.02 . 1 . . . . A 20 DBB CB . 36730 1
197 . 1 . 1 20 20 DBB CG C 13 19.990 0.00 . 1 . . . . A 20 DBB CG . 36730 1
198 . 1 . 1 20 20 DBB N N 15 113.630 0.00 . 1 . . . . A 20 DBB N . 36730 1
199 . 1 . 1 21 21 TRP H H 1 8.187 0.00 . 1 . . . . A 21 TRP H . 36730 1
200 . 1 . 1 21 21 TRP HA H 1 4.367 0.00 . 1 . . . . A 21 TRP HA . 36730 1
201 . 1 . 1 21 21 TRP HB2 H 1 3.420 0.00 . 1 . . . . A 21 TRP HB2 . 36730 1
202 . 1 . 1 21 21 TRP HB3 H 1 3.511 0.00 . 1 . . . . A 21 TRP HB3 . 36730 1
203 . 1 . 1 21 21 TRP HD1 H 1 6.934 0.00 . 1 . . . . A 21 TRP HD1 . 36730 1
204 . 1 . 1 21 21 TRP HE1 H 1 10.271 0.00 . 1 . . . . A 21 TRP HE1 . 36730 1
205 . 1 . 1 21 21 TRP HE3 H 1 7.573 0.00 . 1 . . . . A 21 TRP HE3 . 36730 1
206 . 1 . 1 21 21 TRP HH2 H 1 7.060 0.00 . 1 . . . . A 21 TRP HH2 . 36730 1
207 . 1 . 1 21 21 TRP HZ2 H 1 7.296 0.00 . 1 . . . . A 21 TRP HZ2 . 36730 1
208 . 1 . 1 21 21 TRP HZ3 H 1 6.968 0.00 . 1 . . . . A 21 TRP HZ3 . 36730 1
209 . 1 . 1 21 21 TRP C C 13 176.231 0.00 . 1 . . . . A 21 TRP C . 36730 1
210 . 1 . 1 21 21 TRP CA C 13 59.786 0.00 . 1 . . . . A 21 TRP CA . 36730 1
211 . 1 . 1 21 21 TRP CB C 13 27.685 0.01 . 1 . . . . A 21 TRP CB . 36730 1
212 . 1 . 1 21 21 TRP CD1 C 13 124.662 0.00 . 1 . . . . A 21 TRP CD1 . 36730 1
213 . 1 . 1 21 21 TRP CD2 C 13 128.353 0.01 . 1 . . . . A 21 TRP CD2 . 36730 1
214 . 1 . 1 21 21 TRP CE2 C 13 137.674 0.02 . 1 . . . . A 21 TRP CE2 . 36730 1
215 . 1 . 1 21 21 TRP CE3 C 13 118.638 0.00 . 1 . . . . A 21 TRP CE3 . 36730 1
216 . 1 . 1 21 21 TRP CG C 13 109.553 0.02 . 1 . . . . A 21 TRP CG . 36730 1
217 . 1 . 1 21 21 TRP CH2 C 13 121.827 0.00 . 1 . . . . A 21 TRP CH2 . 36730 1
218 . 1 . 1 21 21 TRP CZ2 C 13 111.918 0.00 . 1 . . . . A 21 TRP CZ2 . 36730 1
219 . 1 . 1 21 21 TRP CZ3 C 13 119.335 0.00 . 1 . . . . A 21 TRP CZ3 . 36730 1
220 . 1 . 1 21 21 TRP N N 15 123.797 0.00 . 1 . . . . A 21 TRP N . 36730 1
221 . 1 . 1 21 21 TRP NE1 N 15 127.808 0.00 . 1 . . . . A 21 TRP NE1 . 36730 1
222 . 1 . 1 22 22 TYR H H 1 8.771 0.00 . 1 . . . . A 22 TYR H . 36730 1
223 . 1 . 1 22 22 TYR HA H 1 3.748 0.00 . 1 . . . . A 22 TYR HA . 36730 1
224 . 1 . 1 22 22 TYR HB2 H 1 2.877 0.00 . 1 . . . . A 22 TYR HB2 . 36730 1
225 . 1 . 1 22 22 TYR HB3 H 1 2.627 0.00 . 1 . . . . A 22 TYR HB3 . 36730 1
226 . 1 . 1 22 22 TYR HD1 H 1 6.612 0.00 . 3 . . . . A 22 TYR HD1 . 36730 1
227 . 1 . 1 22 22 TYR HD2 H 1 6.612 0.00 . 3 . . . . A 22 TYR HD2 . 36730 1
228 . 1 . 1 22 22 TYR HE1 H 1 6.562 0.00 . 3 . . . . A 22 TYR HE1 . 36730 1
229 . 1 . 1 22 22 TYR HE2 H 1 6.562 0.00 . 3 . . . . A 22 TYR HE2 . 36730 1
230 . 1 . 1 22 22 TYR C C 13 174.987 0.03 . 1 . . . . A 22 TYR C . 36730 1
231 . 1 . 1 22 22 TYR CA C 13 60.488 0.00 . 1 . . . . A 22 TYR CA . 36730 1
232 . 1 . 1 22 22 TYR CB C 13 37.356 0.02 . 1 . . . . A 22 TYR CB . 36730 1
233 . 1 . 1 22 22 TYR CD1 C 13 130.774 0.00 . 3 . . . . A 22 TYR CD1 . 36730 1
234 . 1 . 1 22 22 TYR CD2 C 13 130.774 0.00 . 3 . . . . A 22 TYR CD2 . 36730 1
235 . 1 . 1 22 22 TYR CE1 C 13 115.808 0.00 . 3 . . . . A 22 TYR CE1 . 36730 1
236 . 1 . 1 22 22 TYR CE2 C 13 115.808 0.00 . 3 . . . . A 22 TYR CE2 . 36730 1
237 . 1 . 1 22 22 TYR CG C 13 128.536 0.00 . 1 . . . . A 22 TYR CG . 36730 1
238 . 1 . 1 22 22 TYR CZ C 13 156.795 0.00 . 1 . . . . A 22 TYR CZ . 36730 1
239 . 1 . 1 22 22 TYR N N 15 117.390 0.00 . 1 . . . . A 22 TYR N . 36730 1
240 . 1 . 1 23 23 TYR H H 1 8.391 0.00 . 1 . . . . A 23 TYR H . 36730 1
241 . 1 . 1 23 23 TYR HA H 1 4.495 0.00 . 1 . . . . A 23 TYR HA . 36730 1
242 . 1 . 1 23 23 TYR HB2 H 1 2.704 0.00 . 1 . . . . A 23 TYR HB2 . 36730 1
243 . 1 . 1 23 23 TYR HB3 H 1 3.209 0.01 . 1 . . . . A 23 TYR HB3 . 36730 1
244 . 1 . 1 23 23 TYR HD1 H 1 7.279 0.00 . 3 . . . . A 23 TYR HD1 . 36730 1
245 . 1 . 1 23 23 TYR HD2 H 1 7.279 0.00 . 3 . . . . A 23 TYR HD2 . 36730 1
246 . 1 . 1 23 23 TYR HE1 H 1 6.749 0.00 . 3 . . . . A 23 TYR HE1 . 36730 1
247 . 1 . 1 23 23 TYR HE2 H 1 6.749 0.00 . 3 . . . . A 23 TYR HE2 . 36730 1
248 . 1 . 1 23 23 TYR C C 13 174.378 0.01 . 1 . . . . A 23 TYR C . 36730 1
249 . 1 . 1 23 23 TYR CA C 13 56.656 0.00 . 1 . . . . A 23 TYR CA . 36730 1
250 . 1 . 1 23 23 TYR CB C 13 36.386 0.02 . 1 . . . . A 23 TYR CB . 36730 1
251 . 1 . 1 23 23 TYR CD1 C 13 131.003 0.00 . 3 . . . . A 23 TYR CD1 . 36730 1
252 . 1 . 1 23 23 TYR CD2 C 13 131.003 0.00 . 3 . . . . A 23 TYR CD2 . 36730 1
253 . 1 . 1 23 23 TYR CE1 C 13 115.617 0.00 . 1 . . . . A 23 TYR CE1 . 36730 1
254 . 1 . 1 23 23 TYR CE2 C 13 115.676 0.00 . 1 . . . . A 23 TYR CE2 . 36730 1
255 . 1 . 1 23 23 TYR CG C 13 129.999 0.00 . 1 . . . . A 23 TYR CG . 36730 1
256 . 1 . 1 23 23 TYR CZ C 13 157.065 0.01 . 1 . . . . A 23 TYR CZ . 36730 1
257 . 1 . 1 23 23 TYR N N 15 111.144 0.00 . 1 . . . . A 23 TYR N . 36730 1
258 . 1 . 1 24 24 GLY H H 1 7.775 0.00 . 1 . . . . A 24 GLY H . 36730 1
259 . 1 . 1 24 24 GLY HA2 H 1 3.913 0.00 . 2 . . . . A 24 GLY HA2 . 36730 1
260 . 1 . 1 24 24 GLY HA3 H 1 3.913 0.00 . 2 . . . . A 24 GLY HA3 . 36730 1
261 . 1 . 1 24 24 GLY C C 13 170.213 0.00 . 1 . . . . A 24 GLY C . 36730 1
262 . 1 . 1 24 24 GLY CA C 13 45.797 0.00 . 1 . . . . A 24 GLY CA . 36730 1
263 . 1 . 1 24 24 GLY N N 15 107.988 0.00 . 1 . . . . A 24 GLY N . 36730 1
264 . 1 . 1 25 25 TEE HA H 1 7.227 0.00 . 1 . . . . A 25 TEE HA . 36730 1
265 . 1 . 1 25 25 TEE HB2 H 1 5.452 0.00 . 1 . . . . A 25 TEE HB2 . 36730 1
266 . 1 . 1 25 25 TEE HN1 H 1 10.699 0.00 . 1 . . . . A 25 TEE HN1 . 36730 1
267 . 1 . 1 25 25 TEE CA C 13 135.335 0.00 . 1 . . . . A 25 TEE CA . 36730 1
268 . 1 . 1 25 25 TEE CB C 13 98.815 0.00 . 1 . . . . A 25 TEE CB . 36730 1
269 . 1 . 1 25 25 TEE N N 15 134.224 0.00 . 1 . . . . A 25 TEE N . 36730 1
stop_
save_