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 18784
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $ABU8-3_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 DQF-COSY' . . . 18784 1
2 '2D 1H-1H TOCSY' . . . 18784 1
3 '2D 1H-13C HSQC aliphatic' . . . 18784 1
4 '2D 1H-13C HSQC aromatic' . . . 18784 1
5 '2D 1H-1H NOESY' . . . 18784 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 PCA CA C 13 56.753 0.000 . 1 . . . A 1 PCA CA . 18784 1
2 . 1 1 1 1 PCA CB C 13 29.440 0.001 . 1 . . . A 1 PCA CB . 18784 1
3 . 1 1 1 1 PCA CG C 13 32.937 0.000 . 1 . . . A 1 PCA CG . 18784 1
4 . 1 1 1 1 PCA H H 1 7.675 0.003 . 1 . . . A 1 PCA H1 . 18784 1
5 . 1 1 1 1 PCA HA H 1 4.256 0.002 . 1 . . . A 1 PCA HA . 18784 1
6 . 1 1 1 1 PCA HB2 H 1 1.763 0.002 . 2 . . . A 1 PCA HB2 . 18784 1
7 . 1 1 1 1 PCA HB3 H 1 1.713 0.002 . 2 . . . A 1 PCA HB3 . 18784 1
8 . 1 1 1 1 PCA HG2 H 1 2.048 0.001 . 2 . . . A 1 PCA HG2 . 18784 1
9 . 1 1 1 1 PCA HG3 H 1 1.957 0.003 . 2 . . . A 1 PCA HG3 . 18784 1
10 . 1 1 2 2 ASP H H 1 8.580 0.002 . 1 . . . A 2 ASP H . 18784 1
11 . 1 1 2 2 ASP HA H 1 4.820 0.003 . 1 . . . A 2 ASP HA . 18784 1
12 . 1 1 2 2 ASP HB2 H 1 2.720 0.003 . 2 . . . A 2 ASP HB2 . 18784 1
13 . 1 1 2 2 ASP HB3 H 1 2.881 0.004 . 2 . . . A 2 ASP HB3 . 18784 1
14 . 1 1 2 2 ASP CA C 13 52.892 0.000 . 1 . . . A 2 ASP CA . 18784 1
15 . 1 1 2 2 ASP CB C 13 37.903 0.000 . 1 . . . A 2 ASP CB . 18784 1
16 . 1 1 3 3 CYS H H 1 7.856 0.001 . 1 . . . A 3 CYS H . 18784 1
17 . 1 1 3 3 CYS HA H 1 5.001 0.003 . 1 . . . A 3 CYS HA . 18784 1
18 . 1 1 3 3 CYS HB2 H 1 3.388 0.002 . 2 . . . A 3 CYS HB2 . 18784 1
19 . 1 1 3 3 CYS HB3 H 1 3.183 0.002 . 2 . . . A 3 CYS HB3 . 18784 1
20 . 1 1 3 3 CYS CA C 13 52.412 0.000 . 1 . . . A 3 CYS CA . 18784 1
21 . 1 1 3 3 CYS CB C 13 42.621 0.001 . 1 . . . A 3 CYS CB . 18784 1
22 . 1 1 4 4 PRO HA H 1 4.509 0.002 . 1 . . . A 4 PRO HA . 18784 1
23 . 1 1 4 4 PRO HB2 H 1 2.218 0.003 . 1 . . . A 4 PRO HB2 . 18784 1
24 . 1 1 4 4 PRO HB3 H 1 2.218 0.003 . 1 . . . A 4 PRO HB3 . 18784 1
25 . 1 1 4 4 PRO HG2 H 1 2.060 0.004 . 2 . . . A 4 PRO HG2 . 18784 1
26 . 1 1 4 4 PRO HG3 H 1 2.126 0.002 . 2 . . . A 4 PRO HG3 . 18784 1
27 . 1 1 4 4 PRO HD2 H 1 3.589 0.003 . 2 . . . A 4 PRO HD2 . 18784 1
28 . 1 1 4 4 PRO HD3 H 1 4.127 0.003 . 2 . . . A 4 PRO HD3 . 18784 1
29 . 1 1 4 4 PRO CA C 13 63.067 0.000 . 1 . . . A 4 PRO CA . 18784 1
30 . 1 1 4 4 PRO CB C 13 32.809 0.000 . 1 . . . A 4 PRO CB . 18784 1
31 . 1 1 4 4 PRO CG C 13 28.456 0.000 . 1 . . . A 4 PRO CG . 18784 1
32 . 1 1 4 4 PRO CD C 13 50.801 0.003 . 1 . . . A 4 PRO CD . 18784 1
33 . 1 1 5 5 GLY H H 1 7.965 0.002 . 1 . . . A 5 GLY H . 18784 1
34 . 1 1 5 5 GLY HA2 H 1 3.393 0.003 . 2 . . . A 5 GLY HA2 . 18784 1
35 . 1 1 5 5 GLY HA3 H 1 4.301 0.002 . 2 . . . A 5 GLY HA3 . 18784 1
36 . 1 1 5 5 GLY CA C 13 42.323 0.000 . 1 . . . A 5 GLY CA . 18784 1
37 . 1 1 6 6 GLU H H 1 8.365 0.001 . 1 . . . A 6 GLU H . 18784 1
38 . 1 1 6 6 GLU HA H 1 3.696 0.002 . 1 . . . A 6 GLU HA . 18784 1
39 . 1 1 6 6 GLU HB2 H 1 1.931 0.003 . 1 . . . A 6 GLU HB2 . 18784 1
40 . 1 1 6 6 GLU HB3 H 1 1.931 0.003 . 1 . . . A 6 GLU HB3 . 18784 1
41 . 1 1 6 6 GLU HG2 H 1 2.375 0.003 . 2 . . . A 6 GLU HG2 . 18784 1
42 . 1 1 6 6 GLU HG3 H 1 2.429 0.002 . 2 . . . A 6 GLU HG3 . 18784 1
43 . 1 1 6 6 GLU CA C 13 57.573 0.000 . 1 . . . A 6 GLU CA . 18784 1
44 . 1 1 6 6 GLU CB C 13 28.487 0.000 . 1 . . . A 6 GLU CB . 18784 1
45 . 1 1 6 6 GLU CG C 13 32.390 0.000 . 1 . . . A 6 GLU CG . 18784 1
46 . 1 1 7 7 GLY H H 1 9.294 0.001 . 1 . . . A 7 GLY H . 18784 1
47 . 1 1 7 7 GLY HA2 H 1 3.284 0.004 . 2 . . . A 7 GLY HA2 . 18784 1
48 . 1 1 7 7 GLY HA3 H 1 4.148 0.003 . 2 . . . A 7 GLY HA3 . 18784 1
49 . 1 1 7 7 GLY CA C 13 45.656 0.001 . 1 . . . A 7 GLY CA . 18784 1
50 . 1 1 8 8 GLU H H 1 7.948 0.001 . 1 . . . A 8 GLU H . 18784 1
51 . 1 1 8 8 GLU HA H 1 4.543 0.003 . 1 . . . A 8 GLU HA . 18784 1
52 . 1 1 8 8 GLU HB2 H 1 2.291 0.002 . 2 . . . A 8 GLU HB2 . 18784 1
53 . 1 1 8 8 GLU HB3 H 1 2.351 0.003 . 2 . . . A 8 GLU HB3 . 18784 1
54 . 1 1 8 8 GLU HG2 H 1 2.063 0.003 . 1 . . . A 8 GLU HG2 . 18784 1
55 . 1 1 8 8 GLU HG3 H 1 2.063 0.003 . 1 . . . A 8 GLU HG3 . 18784 1
56 . 1 1 8 8 GLU CA C 13 54.859 0.000 . 1 . . . A 8 GLU CA . 18784 1
57 . 1 1 8 8 GLU CB C 13 30.739 0.000 . 1 . . . A 8 GLU CB . 18784 1
58 . 1 1 8 8 GLU CG C 13 30.739 0.000 . 1 . . . A 8 GLU CG . 18784 1
59 . 1 1 9 9 GLN H H 1 8.483 0.001 . 1 . . . A 9 GLN H . 18784 1
60 . 1 1 9 9 GLN HA H 1 4.800 0.002 . 1 . . . A 9 GLN HA . 18784 1
61 . 1 1 9 9 GLN HB2 H 1 2.520 0.002 . 2 . . . A 9 GLN HB2 . 18784 1
62 . 1 1 9 9 GLN HB3 H 1 2.568 0.003 . 2 . . . A 9 GLN HB3 . 18784 1
63 . 1 1 9 9 GLN HG2 H 1 2.042 0.006 . 2 . . . A 9 GLN HG2 . 18784 1
64 . 1 1 9 9 GLN HG3 H 1 2.154 0.003 . 2 . . . A 9 GLN HG3 . 18784 1
65 . 1 1 9 9 GLN HE21 H 1 6.861 0.000 . 2 . . . A 9 GLN HE21 . 18784 1
66 . 1 1 9 9 GLN HE22 H 1 7.552 0.000 . 2 . . . A 9 GLN HE22 . 18784 1
67 . 1 1 9 9 GLN CA C 13 56.893 0.000 . 1 . . . A 9 GLN CA . 18784 1
68 . 1 1 9 9 GLN CB C 13 34.791 0.003 . 1 . . . A 9 GLN CB . 18784 1
69 . 1 1 9 9 GLN CG C 13 30.429 0.000 . 1 . . . A 9 GLN CG . 18784 1
70 . 1 1 10 10 CYS H H 1 8.509 0.001 . 1 . . . A 10 CYS H . 18784 1
71 . 1 1 10 10 CYS HA H 1 5.148 0.003 . 1 . . . A 10 CYS HA . 18784 1
72 . 1 1 10 10 CYS HB2 H 1 3.315 0.004 . 2 . . . A 10 CYS HB2 . 18784 1
73 . 1 1 10 10 CYS HB3 H 1 2.981 0.003 . 2 . . . A 10 CYS HB3 . 18784 1
74 . 1 1 10 10 CYS CA C 13 53.615 0.000 . 1 . . . A 10 CYS CA . 18784 1
75 . 1 1 10 10 CYS CB C 13 51.227 0.002 . 1 . . . A 10 CYS CB . 18784 1
76 . 1 1 11 11 ASP H H 1 7.738 0.001 . 1 . . . A 11 ASP H . 18784 1
77 . 1 1 11 11 ASP HA H 1 5.233 0.002 . 1 . . . A 11 ASP HA . 18784 1
78 . 1 1 11 11 ASP HB2 H 1 2.775 0.000 . 2 . . . A 11 ASP HB2 . 18784 1
79 . 1 1 11 11 ASP HB3 H 1 2.979 0.002 . 2 . . . A 11 ASP HB3 . 18784 1
80 . 1 1 11 11 ASP CA C 13 52.552 0.000 . 1 . . . A 11 ASP CA . 18784 1
81 . 1 1 11 11 ASP CB C 13 41.485 0.000 . 1 . . . A 11 ASP CB . 18784 1
82 . 1 1 12 12 VAL H H 1 8.595 0.001 . 1 . . . A 12 VAL H . 18784 1
83 . 1 1 12 12 VAL HA H 1 3.674 0.003 . 1 . . . A 12 VAL HA . 18784 1
84 . 1 1 12 12 VAL HB H 1 2.248 0.003 . 1 . . . A 12 VAL HB . 18784 1
85 . 1 1 12 12 VAL HG11 H 1 1.057 0.002 . 2 . . . A 12 VAL HG11 . 18784 1
86 . 1 1 12 12 VAL HG12 H 1 1.057 0.002 . 2 . . . A 12 VAL HG12 . 18784 1
87 . 1 1 12 12 VAL HG13 H 1 1.057 0.002 . 2 . . . A 12 VAL HG13 . 18784 1
88 . 1 1 12 12 VAL HG21 H 1 1.016 0.001 . 2 . . . A 12 VAL HG21 . 18784 1
89 . 1 1 12 12 VAL HG22 H 1 1.016 0.001 . 2 . . . A 12 VAL HG22 . 18784 1
90 . 1 1 12 12 VAL HG23 H 1 1.016 0.001 . 2 . . . A 12 VAL HG23 . 18784 1
91 . 1 1 12 12 VAL CA C 13 65.617 0.000 . 1 . . . A 12 VAL CA . 18784 1
92 . 1 1 12 12 VAL CB C 13 32.012 0.000 . 1 . . . A 12 VAL CB . 18784 1
93 . 1 1 12 12 VAL CG1 C 13 22.373 0.000 . 2 . . . A 12 VAL CG1 . 18784 1
94 . 1 1 12 12 VAL CG2 C 13 19.617 0.000 . 2 . . . A 12 VAL CG2 . 18784 1
95 . 1 1 13 13 GLU H H 1 7.937 0.000 . 1 . . . A 13 GLU H . 18784 1
96 . 1 1 13 13 GLU HA H 1 4.262 0.004 . 1 . . . A 13 GLU HA . 18784 1
97 . 1 1 13 13 GLU HB2 H 1 2.489 0.003 . 1 . . . A 13 GLU HB2 . 18784 1
98 . 1 1 13 13 GLU HB3 H 1 2.489 0.003 . 1 . . . A 13 GLU HB3 . 18784 1
99 . 1 1 13 13 GLU HG2 H 1 2.251 0.004 . 2 . . . A 13 GLU HG2 . 18784 1
100 . 1 1 13 13 GLU HG3 H 1 2.299 0.003 . 2 . . . A 13 GLU HG3 . 18784 1
101 . 1 1 13 13 GLU CA C 13 59.667 0.000 . 1 . . . A 13 GLU CA . 18784 1
102 . 1 1 13 13 GLU CB C 13 28.487 0.000 . 1 . . . A 13 GLU CB . 18784 1
103 . 1 1 13 13 GLU CG C 13 32.044 0.000 . 1 . . . A 13 GLU CG . 18784 1
104 . 1 1 14 14 PHE HA H 1 4.769 0.002 . 1 . . . A 14 PHE HA . 18784 1
105 . 1 1 14 14 PHE HB2 H 1 2.880 0.003 . 2 . . . A 14 PHE HB2 . 18784 1
106 . 1 1 14 14 PHE HB3 H 1 3.006 0.004 . 2 . . . A 14 PHE HB3 . 18784 1
107 . 1 1 14 14 PHE HD1 H 1 7.233 0.000 . 3 . . . A 14 PHE HD1 . 18784 1
108 . 1 1 14 14 PHE HD2 H 1 7.233 0.000 . 3 . . . A 14 PHE HD2 . 18784 1
109 . 1 1 14 14 PHE HE1 H 1 7.242 0.000 . 3 . . . A 14 PHE HE1 . 18784 1
110 . 1 1 14 14 PHE HE2 H 1 7.242 0.000 . 3 . . . A 14 PHE HE2 . 18784 1
111 . 1 1 14 14 PHE HZ H 1 7.240 0.008 . 1 . . . A 14 PHE HZ . 18784 1
112 . 1 1 14 14 PHE CA C 13 59.139 0.000 . 1 . . . A 14 PHE CA . 18784 1
113 . 1 1 14 14 PHE CB C 13 42.714 0.003 . 1 . . . A 14 PHE CB . 18784 1
114 . 1 1 14 14 PHE CD1 C 13 132.534 0.000 . 3 . . . A 14 PHE CD1 . 18784 1
115 . 1 1 14 14 PHE CD2 C 13 132.534 0.000 . 3 . . . A 14 PHE CD2 . 18784 1
116 . 1 1 14 14 PHE CE1 C 13 131.675 0.000 . 3 . . . A 14 PHE CE1 . 18784 1
117 . 1 1 14 14 PHE CE2 C 13 131.675 0.000 . 3 . . . A 14 PHE CE2 . 18784 1
118 . 1 1 14 14 PHE CZ C 13 130.182 0.000 . 1 . . . A 14 PHE CZ . 18784 1
119 . 1 1 15 15 ASN H H 1 8.602 0.000 . 1 . . . A 15 ASN H . 18784 1
120 . 1 1 15 15 ASN HA H 1 5.216 0.004 . 1 . . . A 15 ASN HA . 18784 1
121 . 1 1 15 15 ASN HB2 H 1 2.496 0.003 . 2 . . . A 15 ASN HB2 . 18784 1
122 . 1 1 15 15 ASN HB3 H 1 2.578 0.004 . 2 . . . A 15 ASN HB3 . 18784 1
123 . 1 1 15 15 ASN HD21 H 1 6.594 0.001 . 2 . . . A 15 ASN HD21 . 18784 1
124 . 1 1 15 15 ASN HD22 H 1 7.642 0.001 . 2 . . . A 15 ASN HD22 . 18784 1
125 . 1 1 15 15 ASN CA C 13 51.599 0.000 . 1 . . . A 15 ASN CA . 18784 1
126 . 1 1 15 15 ASN CB C 13 39.111 0.000 . 1 . . . A 15 ASN CB . 18784 1
127 . 1 1 16 16 PRO HA H 1 4.156 0.004 . 1 . . . A 16 PRO HA . 18784 1
128 . 1 1 16 16 PRO HB2 H 1 2.252 0.003 . 1 . . . A 16 PRO HB2 . 18784 1
129 . 1 1 16 16 PRO HB3 H 1 2.252 0.003 . 1 . . . A 16 PRO HB3 . 18784 1
130 . 1 1 16 16 PRO HG2 H 1 1.941 0.002 . 2 . . . A 16 PRO HG2 . 18784 1
131 . 1 1 16 16 PRO HG3 H 1 2.012 0.003 . 2 . . . A 16 PRO HG3 . 18784 1
132 . 1 1 16 16 PRO HD2 H 1 3.295 0.003 . 2 . . . A 16 PRO HD2 . 18784 1
133 . 1 1 16 16 PRO HD3 H 1 3.619 0.004 . 2 . . . A 16 PRO HD3 . 18784 1
134 . 1 1 16 16 PRO CA C 13 63.043 0.000 . 1 . . . A 16 PRO CA . 18784 1
135 . 1 1 16 16 PRO CB C 13 28.481 0.000 . 1 . . . A 16 PRO CB . 18784 1
136 . 1 1 16 16 PRO CG C 13 27.206 0.000 . 1 . . . A 16 PRO CG . 18784 1
137 . 1 1 16 16 PRO CD C 13 50.075 0.000 . 1 . . . A 16 PRO CD . 18784 1
138 . 1 1 17 17 CYS H H 1 7.125 0.001 . 1 . . . A 17 CYS H . 18784 1
139 . 1 1 17 17 CYS HA H 1 4.410 0.002 . 1 . . . A 17 CYS HA . 18784 1
140 . 1 1 17 17 CYS HB2 H 1 3.022 0.003 . 2 . . . A 17 CYS HB2 . 18784 1
141 . 1 1 17 17 CYS HB3 H 1 2.459 0.003 . 2 . . . A 17 CYS HB3 . 18784 1
142 . 1 1 17 17 CYS CA C 13 56.207 0.000 . 1 . . . A 17 CYS CA . 18784 1
143 . 1 1 17 17 CYS CB C 13 43.242 0.003 . 1 . . . A 17 CYS CB . 18784 1
144 . 1 1 18 18 CYS H H 1 8.830 0.001 . 1 . . . A 18 CYS H . 18784 1
145 . 1 1 18 18 CYS HA H 1 4.761 0.003 . 1 . . . A 18 CYS HA . 18784 1
146 . 1 1 18 18 CYS HB2 H 1 3.150 0.003 . 2 . . . A 18 CYS HB2 . 18784 1
147 . 1 1 18 18 CYS HB3 H 1 2.374 0.004 . 2 . . . A 18 CYS HB3 . 18784 1
148 . 1 1 18 18 CYS CA C 13 52.558 0.000 . 1 . . . A 18 CYS CA . 18784 1
149 . 1 1 18 18 CYS CB C 13 38.522 0.000 . 1 . . . A 18 CYS CB . 18784 1
150 . 1 1 19 19 PRO HA H 1 4.908 0.002 . 1 . . . A 19 PRO HA . 18784 1
151 . 1 1 19 19 PRO HB2 H 1 2.300 0.003 . 2 . . . A 19 PRO HB2 . 18784 1
152 . 1 1 19 19 PRO HB3 H 1 1.806 0.002 . 2 . . . A 19 PRO HB3 . 18784 1
153 . 1 1 19 19 PRO HG2 H 1 2.062 0.004 . 2 . . . A 19 PRO HG2 . 18784 1
154 . 1 1 19 19 PRO HG3 H 1 2.170 0.004 . 2 . . . A 19 PRO HG3 . 18784 1
155 . 1 1 19 19 PRO HD2 H 1 3.664 0.003 . 2 . . . A 19 PRO HD2 . 18784 1
156 . 1 1 19 19 PRO HD3 H 1 4.049 0.002 . 2 . . . A 19 PRO HD3 . 18784 1
157 . 1 1 19 19 PRO CA C 13 61.689 0.000 . 1 . . . A 19 PRO CA . 18784 1
158 . 1 1 19 19 PRO CB C 13 30.949 0.003 . 1 . . . A 19 PRO CB . 18784 1
159 . 1 1 19 19 PRO CG C 13 28.013 0.006 . 1 . . . A 19 PRO CG . 18784 1
160 . 1 1 19 19 PRO CD C 13 49.889 0.002 . 1 . . . A 19 PRO CD . 18784 1
161 . 1 1 20 20 PRO HA H 1 4.782 0.003 . 1 . . . A 20 PRO HA . 18784 1
162 . 1 1 20 20 PRO HB2 H 1 2.723 0.002 . 2 . . . A 20 PRO HB2 . 18784 1
163 . 1 1 20 20 PRO HB3 H 1 1.894 0.005 . 2 . . . A 20 PRO HB3 . 18784 1
164 . 1 1 20 20 PRO HG2 H 1 1.615 0.002 . 2 . . . A 20 PRO HG2 . 18784 1
165 . 1 1 20 20 PRO HG3 H 1 1.981 0.004 . 2 . . . A 20 PRO HG3 . 18784 1
166 . 1 1 20 20 PRO HD2 H 1 3.227 0.003 . 2 . . . A 20 PRO HD2 . 18784 1
167 . 1 1 20 20 PRO HD3 H 1 3.574 0.003 . 2 . . . A 20 PRO HD3 . 18784 1
168 . 1 1 20 20 PRO CA C 13 63.893 0.000 . 1 . . . A 20 PRO CA . 18784 1
169 . 1 1 20 20 PRO CB C 13 31.562 0.003 . 1 . . . A 20 PRO CB . 18784 1
170 . 1 1 20 20 PRO CG C 13 24.358 0.000 . 1 . . . A 20 PRO CG . 18784 1
171 . 1 1 20 20 PRO CD C 13 48.545 0.000 . 1 . . . A 20 PRO CD . 18784 1
172 . 1 1 21 21 LEU H H 1 8.825 0.001 . 1 . . . A 21 LEU H . 18784 1
173 . 1 1 21 21 LEU HA H 1 4.374 0.003 . 1 . . . A 21 LEU HA . 18784 1
174 . 1 1 21 21 LEU HB2 H 1 1.393 0.002 . 2 . . . A 21 LEU HB2 . 18784 1
175 . 1 1 21 21 LEU HB3 H 1 2.190 0.003 . 2 . . . A 21 LEU HB3 . 18784 1
176 . 1 1 21 21 LEU HG H 1 1.636 0.004 . 1 . . . A 21 LEU HG . 18784 1
177 . 1 1 21 21 LEU HD11 H 1 0.912 0.002 . 2 . . . A 21 LEU HD11 . 18784 1
178 . 1 1 21 21 LEU HD12 H 1 0.912 0.002 . 2 . . . A 21 LEU HD12 . 18784 1
179 . 1 1 21 21 LEU HD13 H 1 0.912 0.002 . 2 . . . A 21 LEU HD13 . 18784 1
180 . 1 1 21 21 LEU HD21 H 1 0.758 0.001 . 2 . . . A 21 LEU HD21 . 18784 1
181 . 1 1 21 21 LEU HD22 H 1 0.758 0.001 . 2 . . . A 21 LEU HD22 . 18784 1
182 . 1 1 21 21 LEU HD23 H 1 0.758 0.001 . 2 . . . A 21 LEU HD23 . 18784 1
183 . 1 1 21 21 LEU CA C 13 56.680 0.000 . 1 . . . A 21 LEU CA . 18784 1
184 . 1 1 21 21 LEU CB C 13 41.891 0.000 . 1 . . . A 21 LEU CB . 18784 1
185 . 1 1 21 21 LEU CG C 13 29.240 0.000 . 1 . . . A 21 LEU CG . 18784 1
186 . 1 1 21 21 LEU CD1 C 13 26.095 0.000 . 2 . . . A 21 LEU CD1 . 18784 1
187 . 1 1 21 21 LEU CD2 C 13 25.123 0.000 . 2 . . . A 21 LEU CD2 . 18784 1
188 . 1 1 22 22 THR H H 1 8.833 0.001 . 1 . . . A 22 THR H . 18784 1
189 . 1 1 22 22 THR HA H 1 4.507 0.002 . 1 . . . A 22 THR HA . 18784 1
190 . 1 1 22 22 THR HB H 1 3.826 0.002 . 1 . . . A 22 THR HB . 18784 1
191 . 1 1 22 22 THR HG21 H 1 1.159 0.002 . 1 . . . A 22 THR HG21 . 18784 1
192 . 1 1 22 22 THR HG22 H 1 1.159 0.002 . 1 . . . A 22 THR HG22 . 18784 1
193 . 1 1 22 22 THR HG23 H 1 1.159 0.002 . 1 . . . A 22 THR HG23 . 18784 1
194 . 1 1 22 22 THR CA C 13 61.221 0.000 . 1 . . . A 22 THR CA . 18784 1
195 . 1 1 22 22 THR CB C 13 71.220 0.000 . 1 . . . A 22 THR CB . 18784 1
196 . 1 1 22 22 THR CG2 C 13 21.244 0.000 . 1 . . . A 22 THR CG2 . 18784 1
197 . 1 1 23 23 CYS H H 1 7.992 0.001 . 1 . . . A 23 CYS H . 18784 1
198 . 1 1 23 23 CYS HA H 1 4.691 0.003 . 1 . . . A 23 CYS HA . 18784 1
199 . 1 1 23 23 CYS HB2 H 1 3.128 0.003 . 2 . . . A 23 CYS HB2 . 18784 1
200 . 1 1 23 23 CYS HB3 H 1 2.758 0.003 . 2 . . . A 23 CYS HB3 . 18784 1
201 . 1 1 23 23 CYS CA C 13 55.375 0.000 . 1 . . . A 23 CYS CA . 18784 1
202 . 1 1 23 23 CYS CB C 13 40.173 0.000 . 1 . . . A 23 CYS CB . 18784 1
203 . 1 1 24 24 ILE H H 1 8.831 0.001 . 1 . . . A 24 ILE H . 18784 1
204 . 1 1 24 24 ILE HA H 1 4.650 0.002 . 1 . . . A 24 ILE HA . 18784 1
205 . 1 1 24 24 ILE HB H 1 2.161 0.002 . 1 . . . A 24 ILE HB . 18784 1
206 . 1 1 24 24 ILE HG12 H 1 1.217 0.003 . 2 . . . A 24 ILE HG12 . 18784 1
207 . 1 1 24 24 ILE HG13 H 1 1.659 0.003 . 2 . . . A 24 ILE HG13 . 18784 1
208 . 1 1 24 24 ILE HG21 H 1 0.870 0.002 . 1 . . . A 24 ILE HG21 . 18784 1
209 . 1 1 24 24 ILE HG22 H 1 0.870 0.002 . 1 . . . A 24 ILE HG22 . 18784 1
210 . 1 1 24 24 ILE HG23 H 1 0.870 0.002 . 1 . . . A 24 ILE HG23 . 18784 1
211 . 1 1 24 24 ILE HD11 H 1 0.746 0.002 . 1 . . . A 24 ILE HD11 . 18784 1
212 . 1 1 24 24 ILE HD12 H 1 0.746 0.002 . 1 . . . A 24 ILE HD12 . 18784 1
213 . 1 1 24 24 ILE HD13 H 1 0.746 0.002 . 1 . . . A 24 ILE HD13 . 18784 1
214 . 1 1 24 24 ILE CA C 13 57.579 0.000 . 1 . . . A 24 ILE CA . 18784 1
215 . 1 1 24 24 ILE CB C 13 41.096 0.000 . 1 . . . A 24 ILE CB . 18784 1
216 . 1 1 24 24 ILE CG1 C 13 27.063 0.003 . 1 . . . A 24 ILE CG1 . 18784 1
217 . 1 1 24 24 ILE CG2 C 13 16.278 0.000 . 1 . . . A 24 ILE CG2 . 18784 1
218 . 1 1 24 24 ILE CD1 C 13 12.295 0.000 . 1 . . . A 24 ILE CD1 . 18784 1
219 . 1 1 25 25 PRO HA H 1 4.591 0.001 . 1 . . . A 25 PRO HA . 18784 1
220 . 1 1 25 25 PRO HB2 H 1 2.429 0.003 . 2 . . . A 25 PRO HB2 . 18784 1
221 . 1 1 25 25 PRO HB3 H 1 2.116 0.003 . 2 . . . A 25 PRO HB3 . 18784 1
222 . 1 1 25 25 PRO HG2 H 1 2.001 0.002 . 2 . . . A 25 PRO HG2 . 18784 1
223 . 1 1 25 25 PRO HG3 H 1 2.314 0.003 . 2 . . . A 25 PRO HG3 . 18784 1
224 . 1 1 25 25 PRO HD2 H 1 3.714 0.003 . 2 . . . A 25 PRO HD2 . 18784 1
225 . 1 1 25 25 PRO HD3 H 1 4.169 0.003 . 2 . . . A 25 PRO HD3 . 18784 1
226 . 1 1 25 25 PRO CA C 13 64.645 0.000 . 1 . . . A 25 PRO CA . 18784 1
227 . 1 1 25 25 PRO CB C 13 34.342 0.003 . 1 . . . A 25 PRO CB . 18784 1
228 . 1 1 25 25 PRO CG C 13 25.585 0.001 . 1 . . . A 25 PRO CG . 18784 1
229 . 1 1 25 25 PRO CD C 13 50.163 0.003 . 1 . . . A 25 PRO CD . 18784 1
230 . 1 1 26 26 GLY H H 1 7.882 0.001 . 1 . . . A 26 GLY H . 18784 1
231 . 1 1 26 26 GLY HA2 H 1 3.098 0.004 . 2 . . . A 26 GLY HA2 . 18784 1
232 . 1 1 26 26 GLY HA3 H 1 3.663 0.004 . 2 . . . A 26 GLY HA3 . 18784 1
233 . 1 1 26 26 GLY CA C 13 47.367 0.000 . 1 . . . A 26 GLY CA . 18784 1
234 . 1 1 27 27 ASP H H 1 7.730 0.001 . 1 . . . A 27 ASP H . 18784 1
235 . 1 1 27 27 ASP HA H 1 5.087 0.002 . 1 . . . A 27 ASP HA . 18784 1
236 . 1 1 27 27 ASP HB2 H 1 2.352 0.003 . 2 . . . A 27 ASP HB2 . 18784 1
237 . 1 1 27 27 ASP HB3 H 1 3.003 0.004 . 2 . . . A 27 ASP HB3 . 18784 1
238 . 1 1 27 27 ASP CA C 13 51.059 0.000 . 1 . . . A 27 ASP CA . 18784 1
239 . 1 1 27 27 ASP CB C 13 38.844 0.000 . 1 . . . A 27 ASP CB . 18784 1
240 . 1 1 28 28 PRO HA H 1 4.293 0.002 . 1 . . . A 28 PRO HA . 18784 1
241 . 1 1 28 28 PRO HB2 H 1 1.996 0.003 . 2 . . . A 28 PRO HB2 . 18784 1
242 . 1 1 28 28 PRO HB3 H 1 1.916 0.004 . 2 . . . A 28 PRO HB3 . 18784 1
243 . 1 1 28 28 PRO HG2 H 1 0.926 0.003 . 2 . . . A 28 PRO HG2 . 18784 1
244 . 1 1 28 28 PRO HG3 H 1 1.585 0.002 . 2 . . . A 28 PRO HG3 . 18784 1
245 . 1 1 28 28 PRO HD2 H 1 3.406 0.002 . 2 . . . A 28 PRO HD2 . 18784 1
246 . 1 1 28 28 PRO HD3 H 1 3.481 0.002 . 2 . . . A 28 PRO HD3 . 18784 1
247 . 1 1 28 28 PRO CA C 13 63.747 0.000 . 1 . . . A 28 PRO CA . 18784 1
248 . 1 1 28 28 PRO CB C 13 34.603 0.003 . 1 . . . A 28 PRO CB . 18784 1
249 . 1 1 28 28 PRO CG C 13 23.254 0.000 . 1 . . . A 28 PRO CG . 18784 1
250 . 1 1 28 28 PRO CD C 13 50.562 0.001 . 1 . . . A 28 PRO CD . 18784 1
251 . 1 1 29 29 TYR H H 1 7.422 0.001 . 1 . . . A 29 TYR H . 18784 1
252 . 1 1 29 29 TYR HA H 1 5.436 0.002 . 1 . . . A 29 TYR HA . 18784 1
253 . 1 1 29 29 TYR HB2 H 1 3.032 0.003 . 2 . . . A 29 TYR HB2 . 18784 1
254 . 1 1 29 29 TYR HB3 H 1 3.329 0.003 . 2 . . . A 29 TYR HB3 . 18784 1
255 . 1 1 29 29 TYR HD1 H 1 7.170 0.002 . 3 . . . A 29 TYR HD1 . 18784 1
256 . 1 1 29 29 TYR HD2 H 1 7.170 0.002 . 3 . . . A 29 TYR HD2 . 18784 1
257 . 1 1 29 29 TYR HE1 H 1 6.788 0.002 . 3 . . . A 29 TYR HE1 . 18784 1
258 . 1 1 29 29 TYR HE2 H 1 6.788 0.002 . 3 . . . A 29 TYR HE2 . 18784 1
259 . 1 1 29 29 TYR CA C 13 57.706 0.000 . 1 . . . A 29 TYR CA . 18784 1
260 . 1 1 29 29 TYR CB C 13 40.794 0.001 . 1 . . . A 29 TYR CB . 18784 1
261 . 1 1 29 29 TYR CD1 C 13 133.135 0.000 . 3 . . . A 29 TYR CD1 . 18784 1
262 . 1 1 29 29 TYR CD2 C 13 133.135 0.000 . 3 . . . A 29 TYR CD2 . 18784 1
263 . 1 1 29 29 TYR CE1 C 13 119.067 0.000 . 3 . . . A 29 TYR CE1 . 18784 1
264 . 1 1 29 29 TYR CE2 C 13 119.067 0.000 . 3 . . . A 29 TYR CE2 . 18784 1
265 . 1 1 30 30 GLY H H 1 8.457 0.001 . 1 . . . A 30 GLY H . 18784 1
266 . 1 1 30 30 GLY HA2 H 1 3.805 0.002 . 2 . . . A 30 GLY HA2 . 18784 1
267 . 1 1 30 30 GLY HA3 H 1 4.173 0.002 . 2 . . . A 30 GLY HA3 . 18784 1
268 . 1 1 30 30 GLY CA C 13 47.246 0.001 . 1 . . . A 30 GLY CA . 18784 1
269 . 1 1 31 31 ILE H H 1 8.636 0.001 . 1 . . . A 31 ILE H . 18784 1
270 . 1 1 31 31 ILE HA H 1 4.790 0.003 . 1 . . . A 31 ILE HA . 18784 1
271 . 1 1 31 31 ILE HB H 1 1.692 0.002 . 1 . . . A 31 ILE HB . 18784 1
272 . 1 1 31 31 ILE HG12 H 1 1.207 0.002 . 2 . . . A 31 ILE HG12 . 18784 1
273 . 1 1 31 31 ILE HG13 H 1 1.545 0.002 . 2 . . . A 31 ILE HG13 . 18784 1
274 . 1 1 31 31 ILE HG21 H 1 0.543 0.002 . 1 . . . A 31 ILE HG21 . 18784 1
275 . 1 1 31 31 ILE HG22 H 1 0.543 0.002 . 1 . . . A 31 ILE HG22 . 18784 1
276 . 1 1 31 31 ILE HG23 H 1 0.543 0.002 . 1 . . . A 31 ILE HG23 . 18784 1
277 . 1 1 31 31 ILE HD11 H 1 0.864 0.003 . 1 . . . A 31 ILE HD11 . 18784 1
278 . 1 1 31 31 ILE HD12 H 1 0.864 0.003 . 1 . . . A 31 ILE HD12 . 18784 1
279 . 1 1 31 31 ILE HD13 H 1 0.864 0.003 . 1 . . . A 31 ILE HD13 . 18784 1
280 . 1 1 31 31 ILE CA C 13 59.121 0.000 . 1 . . . A 31 ILE CA . 18784 1
281 . 1 1 31 31 ILE CB C 13 41.503 0.000 . 1 . . . A 31 ILE CB . 18784 1
282 . 1 1 31 31 ILE CG1 C 13 27.931 0.003 . 1 . . . A 31 ILE CG1 . 18784 1
283 . 1 1 31 31 ILE CG2 C 13 17.626 0.000 . 1 . . . A 31 ILE CG2 . 18784 1
284 . 1 1 31 31 ILE CD1 C 13 12.210 0.000 . 1 . . . A 31 ILE CD1 . 18784 1
285 . 1 1 32 32 CYS H H 1 8.187 0.001 . 1 . . . A 32 CYS H . 18784 1
286 . 1 1 32 32 CYS HA H 1 5.183 0.002 . 1 . . . A 32 CYS HA . 18784 1
287 . 1 1 32 32 CYS HB2 H 1 3.327 0.003 . 2 . . . A 32 CYS HB2 . 18784 1
288 . 1 1 32 32 CYS HB3 H 1 2.604 0.004 . 2 . . . A 32 CYS HB3 . 18784 1
289 . 1 1 32 32 CYS CA C 13 55.648 0.000 . 1 . . . A 32 CYS CA . 18784 1
290 . 1 1 32 32 CYS CB C 13 41.925 0.003 . 1 . . . A 32 CYS CB . 18784 1
291 . 1 1 33 33 TYR H H 1 9.324 0.001 . 1 . . . A 33 TYR H . 18784 1
292 . 1 1 33 33 TYR HA H 1 4.954 0.002 . 1 . . . A 33 TYR HA . 18784 1
293 . 1 1 33 33 TYR HB2 H 1 2.604 0.002 . 2 . . . A 33 TYR HB2 . 18784 1
294 . 1 1 33 33 TYR HB3 H 1 3.045 0.002 . 2 . . . A 33 TYR HB3 . 18784 1
295 . 1 1 33 33 TYR HD1 H 1 7.183 0.002 . 3 . . . A 33 TYR HD1 . 18784 1
296 . 1 1 33 33 TYR HD2 H 1 7.183 0.002 . 3 . . . A 33 TYR HD2 . 18784 1
297 . 1 1 33 33 TYR HE1 H 1 6.667 0.002 . 3 . . . A 33 TYR HE1 . 18784 1
298 . 1 1 33 33 TYR HE2 H 1 6.667 0.002 . 3 . . . A 33 TYR HE2 . 18784 1
299 . 1 1 33 33 TYR CA C 13 57.646 0.000 . 1 . . . A 33 TYR CA . 18784 1
300 . 1 1 33 33 TYR CB C 13 43.476 0.000 . 1 . . . A 33 TYR CB . 18784 1
301 . 1 1 33 33 TYR CD1 C 13 134.236 0.000 . 3 . . . A 33 TYR CD1 . 18784 1
302 . 1 1 33 33 TYR CD2 C 13 134.236 0.000 . 3 . . . A 33 TYR CD2 . 18784 1
303 . 1 1 33 33 TYR CE1 C 13 118.337 0.000 . 3 . . . A 33 TYR CE1 . 18784 1
304 . 1 1 33 33 TYR CE2 C 13 118.337 0.000 . 3 . . . A 33 TYR CE2 . 18784 1
305 . 1 1 34 34 ILE H H 1 8.078 0.002 . 1 . . . A 34 ILE H . 18784 1
306 . 1 1 34 34 ILE HA H 1 4.393 0.002 . 1 . . . A 34 ILE HA . 18784 1
307 . 1 1 34 34 ILE HB H 1 1.755 0.003 . 1 . . . A 34 ILE HB . 18784 1
308 . 1 1 34 34 ILE HG12 H 1 1.094 0.002 . 2 . . . A 34 ILE HG12 . 18784 1
309 . 1 1 34 34 ILE HG13 H 1 1.623 0.003 . 2 . . . A 34 ILE HG13 . 18784 1
310 . 1 1 34 34 ILE HG21 H 1 0.957 0.002 . 1 . . . A 34 ILE HG21 . 18784 1
311 . 1 1 34 34 ILE HG22 H 1 0.957 0.002 . 1 . . . A 34 ILE HG22 . 18784 1
312 . 1 1 34 34 ILE HG23 H 1 0.957 0.002 . 1 . . . A 34 ILE HG23 . 18784 1
313 . 1 1 34 34 ILE HD11 H 1 0.885 0.003 . 1 . . . A 34 ILE HD11 . 18784 1
314 . 1 1 34 34 ILE HD12 H 1 0.885 0.003 . 1 . . . A 34 ILE HD12 . 18784 1
315 . 1 1 34 34 ILE HD13 H 1 0.885 0.003 . 1 . . . A 34 ILE HD13 . 18784 1
316 . 1 1 34 34 ILE CA C 13 61.003 0.000 . 1 . . . A 34 ILE CA . 18784 1
317 . 1 1 34 34 ILE CB C 13 39.718 0.000 . 1 . . . A 34 ILE CB . 18784 1
318 . 1 1 34 34 ILE CG1 C 13 28.572 0.000 . 1 . . . A 34 ILE CG1 . 18784 1
319 . 1 1 34 34 ILE CG2 C 13 17.073 0.000 . 1 . . . A 34 ILE CG2 . 18784 1
320 . 1 1 34 34 ILE CD1 C 13 13.473 0.000 . 1 . . . A 34 ILE CD1 . 18784 1
321 . 1 1 35 35 ILE H H 1 8.170 0.001 . 1 . . . A 35 ILE H . 18784 1
322 . 1 1 35 35 ILE HA H 1 4.445 0.002 . 1 . . . A 35 ILE HA . 18784 1
323 . 1 1 35 35 ILE HB H 1 1.933 0.003 . 1 . . . A 35 ILE HB . 18784 1
324 . 1 1 35 35 ILE HG12 H 1 1.306 0.003 . 2 . . . A 35 ILE HG12 . 18784 1
325 . 1 1 35 35 ILE HG13 H 1 1.528 0.003 . 2 . . . A 35 ILE HG13 . 18784 1
326 . 1 1 35 35 ILE HG21 H 1 0.951 0.004 . 1 . . . A 35 ILE HG21 . 18784 1
327 . 1 1 35 35 ILE HG22 H 1 0.951 0.004 . 1 . . . A 35 ILE HG22 . 18784 1
328 . 1 1 35 35 ILE HG23 H 1 0.951 0.004 . 1 . . . A 35 ILE HG23 . 18784 1
329 . 1 1 35 35 ILE HD11 H 1 0.915 0.002 . 1 . . . A 35 ILE HD11 . 18784 1
330 . 1 1 35 35 ILE HD12 H 1 0.915 0.002 . 1 . . . A 35 ILE HD12 . 18784 1
331 . 1 1 35 35 ILE HD13 H 1 0.915 0.002 . 1 . . . A 35 ILE HD13 . 18784 1
332 . 1 1 35 35 ILE CA C 13 59.831 0.000 . 1 . . . A 35 ILE CA . 18784 1
333 . 1 1 35 35 ILE CB C 13 39.736 0.000 . 1 . . . A 35 ILE CB . 18784 1
334 . 1 1 35 35 ILE CG1 C 13 27.798 0.003 . 1 . . . A 35 ILE CG1 . 18784 1
335 . 1 1 35 35 ILE CG2 C 13 17.759 0.000 . 1 . . . A 35 ILE CG2 . 18784 1
336 . 1 1 35 35 ILE CD1 C 13 13.546 0.000 . 1 . . . A 35 ILE CD1 . 18784 1
stop_
save_