Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 5116
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 '4D 13C-separated NOESY' 1 $13C-15N_DsrC_reduced . 5116 1
2 '3D 13C,15N-simultaneous NOESY' 1 $13C-15N_DsrC_reduced . 5116 1
3 '3D 15N-separated NOESY' 1 $13C-15N_DsrC_reduced . 5116 1
4 HNHA 1 $13C-15N_DsrC_reduced . 5116 1
5 1H-15N 1 $13C-15N_DsrC_reduced . 5116 1
6 'HSQC D2O exchange' 1 $13C-15N_DsrC_reduced . 5116 1
7 CBCACONNH 1 $13C-15N_DsrC_reduced . 5116 1
8 HNCACB 1 $13C-15N_DsrC_reduced . 5116 1
9 HCCH-TOCSY 1 $13C-15N_DsrC_reduced . 5116 1
10 HCC-TOCSY-NNH 1 $13C-15N_DsrC_reduced . 5116 1
11 CCC-TOCSY-NNH 1 $13C-15N_DsrC_reduced . 5116 1
12 CBCACOCAHA 1 $13C-15N_DsrC_reduced . 5116 1
13 13C-HSQC 1 $13C-15N_DsrC_reduced . 5116 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 3 3 VAL CA C 13 61.8 0.1 . 1 . . . . . . . . 5116 1
2 . 1 1 3 3 VAL CB C 13 33.6 0.1 . 1 . . . . . . . . 5116 1
3 . 1 1 4 4 LYS H H 1 7.82 0.01 . 1 . . . . . . . . 5116 1
4 . 1 1 4 4 LYS CA C 13 55.5 0.1 . 1 . . . . . . . . 5116 1
5 . 1 1 4 4 LYS CB C 13 34.0 0.1 . 1 . . . . . . . . 5116 1
6 . 1 1 4 4 LYS N N 15 123.4 0.1 . 1 . . . . . . . . 5116 1
7 . 1 1 5 5 CYS H H 1 8.68 0.01 . 1 . . . . . . . . 5116 1
8 . 1 1 5 5 CYS N N 15 122.4 0.1 . 1 . . . . . . . . 5116 1
9 . 1 1 6 6 PRO CA C 13 63.2 0.1 . 1 . . . . . . . . 5116 1
10 . 1 1 6 6 PRO CB C 13 36.4 0.1 . 1 . . . . . . . . 5116 1
11 . 1 1 7 7 GLY H H 1 8.30 0.01 . 1 . . . . . . . . 5116 1
12 . 1 1 7 7 GLY CA C 13 46.3 0.1 . 1 . . . . . . . . 5116 1
13 . 1 1 7 7 GLY N N 15 104.6 0.1 . 1 . . . . . . . . 5116 1
14 . 1 1 8 8 GLU H H 1 7.80 0.01 . 1 . . . . . . . . 5116 1
15 . 1 1 8 8 GLU CA C 13 54.8 0.1 . 1 . . . . . . . . 5116 1
16 . 1 1 8 8 GLU CB C 13 32.4 0.1 . 1 . . . . . . . . 5116 1
17 . 1 1 8 8 GLU N N 15 119.0 0.1 . 1 . . . . . . . . 5116 1
18 . 1 1 9 9 TYR H H 1 9.03 0.01 . 1 . . . . . . . . 5116 1
19 . 1 1 9 9 TYR CA C 13 57.5 0.1 . 1 . . . . . . . . 5116 1
20 . 1 1 9 9 TYR CB C 13 43.2 0.1 . 1 . . . . . . . . 5116 1
21 . 1 1 9 9 TYR N N 15 123.9 0.1 . 1 . . . . . . . . 5116 1
22 . 1 1 10 10 GLN H H 1 8.51 0.01 . 1 . . . . . . . . 5116 1
23 . 1 1 10 10 GLN CA C 13 54.8 0.1 . 1 . . . . . . . . 5116 1
24 . 1 1 10 10 GLN CB C 13 30.3 0.1 . 1 . . . . . . . . 5116 1
25 . 1 1 10 10 GLN N N 15 121.4 0.1 . 1 . . . . . . . . 5116 1
26 . 1 1 11 11 VAL H H 1 8.90 0.01 . 1 . . . . . . . . 5116 1
27 . 1 1 11 11 VAL N N 15 127.0 0.1 . 1 . . . . . . . . 5116 1
28 . 1 1 12 12 ASP H H 1 8.97 0.01 . 1 . . . . . . . . 5116 1
29 . 1 1 12 12 ASP CA C 13 55.7 0.1 . 1 . . . . . . . . 5116 1
30 . 1 1 12 12 ASP CB C 13 40.6 0.1 . 1 . . . . . . . . 5116 1
31 . 1 1 12 12 ASP N N 15 127.7 0.1 . 1 . . . . . . . . 5116 1
32 . 1 1 13 13 GLY H H 1 8.30 0.01 . 1 . . . . . . . . 5116 1
33 . 1 1 13 13 GLY CA C 13 45.3 0.1 . 1 . . . . . . . . 5116 1
34 . 1 1 13 13 GLY N N 15 104.5 0.1 . 1 . . . . . . . . 5116 1
35 . 1 1 14 14 LYS H H 1 7.92 0.01 . 1 . . . . . . . . 5116 1
36 . 1 1 14 14 LYS CA C 13 54.5 0.1 . 1 . . . . . . . . 5116 1
37 . 1 1 14 14 LYS CB C 13 32.7 0.1 . 1 . . . . . . . . 5116 1
38 . 1 1 14 14 LYS N N 15 121.7 0.1 . 1 . . . . . . . . 5116 1
39 . 1 1 15 15 LYS H H 1 8.29 0.01 . 1 . . . . . . . . 5116 1
40 . 1 1 15 15 LYS CA C 13 55.8 0.1 . 1 . . . . . . . . 5116 1
41 . 1 1 15 15 LYS CB C 13 32.9 0.1 . 1 . . . . . . . . 5116 1
42 . 1 1 15 15 LYS N N 15 123.7 0.1 . 1 . . . . . . . . 5116 1
43 . 1 1 16 16 VAL H H 1 8.94 0.01 . 1 . . . . . . . . 5116 1
44 . 1 1 16 16 VAL CA C 13 62.3 0.1 . 1 . . . . . . . . 5116 1
45 . 1 1 16 16 VAL CB C 13 34.3 0.1 . 1 . . . . . . . . 5116 1
46 . 1 1 16 16 VAL N N 15 126.2 0.1 . 1 . . . . . . . . 5116 1
47 . 1 1 17 17 ILE H H 1 8.55 0.01 . 1 . . . . . . . . 5116 1
48 . 1 1 17 17 ILE CA C 13 60.5 0.1 . 1 . . . . . . . . 5116 1
49 . 1 1 17 17 ILE CB C 13 39.1 0.1 . 1 . . . . . . . . 5116 1
50 . 1 1 17 17 ILE N N 15 128.3 0.1 . 1 . . . . . . . . 5116 1
51 . 1 1 18 18 LEU H H 1 9.31 0.01 . 1 . . . . . . . . 5116 1
52 . 1 1 18 18 LEU CA C 13 52.9 0.1 . 1 . . . . . . . . 5116 1
53 . 1 1 18 18 LEU CB C 13 44.7 0.1 . 1 . . . . . . . . 5116 1
54 . 1 1 18 18 LEU N N 15 126.5 0.1 . 1 . . . . . . . . 5116 1
55 . 1 1 19 19 ASP H H 1 9.18 0.01 . 1 . . . . . . . . 5116 1
56 . 1 1 19 19 ASP CA C 13 52.7 0.1 . 1 . . . . . . . . 5116 1
57 . 1 1 19 19 ASP CB C 13 41.5 0.1 . 1 . . . . . . . . 5116 1
58 . 1 1 19 19 ASP N N 15 123.0 0.1 . 1 . . . . . . . . 5116 1
59 . 1 1 20 20 GLU H H 1 9.25 0.01 . 1 . . . . . . . . 5116 1
60 . 1 1 20 20 GLU CA C 13 59.5 0.1 . 1 . . . . . . . . 5116 1
61 . 1 1 20 20 GLU CB C 13 29.1 0.1 . 1 . . . . . . . . 5116 1
62 . 1 1 20 20 GLU N N 15 116.5 0.1 . 1 . . . . . . . . 5116 1
63 . 1 1 21 21 ASP H H 1 8.26 0.01 . 1 . . . . . . . . 5116 1
64 . 1 1 21 21 ASP CA C 13 54.4 0.1 . 1 . . . . . . . . 5116 1
65 . 1 1 21 21 ASP CB C 13 43.1 0.1 . 1 . . . . . . . . 5116 1
66 . 1 1 21 21 ASP N N 15 119.4 0.1 . 1 . . . . . . . . 5116 1
67 . 1 1 22 22 CYS H H 1 8.26 0.01 . 1 . . . . . . . . 5116 1
68 . 1 1 22 22 CYS CA C 13 55.0 0.1 . 1 . . . . . . . . 5116 1
69 . 1 1 22 22 CYS CB C 13 38.1 0.1 . 1 . . . . . . . . 5116 1
70 . 1 1 22 22 CYS N N 15 110.3 0.1 . 1 . . . . . . . . 5116 1
71 . 1 1 23 23 PHE H H 1 8.47 0.01 . 1 . . . . . . . . 5116 1
72 . 1 1 23 23 PHE N N 15 114.4 0.1 . 1 . . . . . . . . 5116 1
73 . 1 1 24 24 MET CA C 13 58.0 0.1 . 1 . . . . . . . . 5116 1
74 . 1 1 24 24 MET CB C 13 34.1 0.1 . 1 . . . . . . . . 5116 1
75 . 1 1 25 25 GLN H H 1 9.52 0.01 . 1 . . . . . . . . 5116 1
76 . 1 1 25 25 GLN CA C 13 55.6 0.1 . 1 . . . . . . . . 5116 1
77 . 1 1 25 25 GLN CB C 13 30.6 0.1 . 1 . . . . . . . . 5116 1
78 . 1 1 25 25 GLN N N 15 121.2 0.1 . 1 . . . . . . . . 5116 1
79 . 1 1 26 26 ASN H H 1 9.04 0.01 . 1 . . . . . . . . 5116 1
80 . 1 1 26 26 ASN N N 15 116.7 0.1 . 1 . . . . . . . . 5116 1
81 . 1 1 27 27 PRO CA C 13 65.1 0.1 . 1 . . . . . . . . 5116 1
82 . 1 1 27 27 PRO CB C 13 32.4 0.1 . 1 . . . . . . . . 5116 1
83 . 1 1 28 28 GLU H H 1 10.40 0.01 . 1 . . . . . . . . 5116 1
84 . 1 1 28 28 GLU CA C 13 58.8 0.1 . 1 . . . . . . . . 5116 1
85 . 1 1 28 28 GLU CB C 13 28.1 0.1 . 1 . . . . . . . . 5116 1
86 . 1 1 28 28 GLU N N 15 122.1 0.1 . 1 . . . . . . . . 5116 1
87 . 1 1 29 29 ASP H H 1 8.19 0.01 . 1 . . . . . . . . 5116 1
88 . 1 1 29 29 ASP CA C 13 55.0 0.1 . 1 . . . . . . . . 5116 1
89 . 1 1 29 29 ASP CB C 13 41.1 0.1 . 1 . . . . . . . . 5116 1
90 . 1 1 29 29 ASP N N 15 120.3 0.1 . 1 . . . . . . . . 5116 1
91 . 1 1 30 30 TRP H H 1 7.54 0.01 . 1 . . . . . . . . 5116 1
92 . 1 1 30 30 TRP CA C 13 60.9 0.1 . 1 . . . . . . . . 5116 1
93 . 1 1 30 30 TRP CB C 13 30.7 0.1 . 1 . . . . . . . . 5116 1
94 . 1 1 30 30 TRP N N 15 120.1 0.1 . 1 . . . . . . . . 5116 1
95 . 1 1 31 31 ASP H H 1 6.45 0.01 . 1 . . . . . . . . 5116 1
96 . 1 1 31 31 ASP CA C 13 53.7 0.1 . 1 . . . . . . . . 5116 1
97 . 1 1 31 31 ASP CB C 13 41.4 0.1 . 1 . . . . . . . . 5116 1
98 . 1 1 31 31 ASP N N 15 122.3 0.1 . 1 . . . . . . . . 5116 1
99 . 1 1 32 32 GLU H H 1 8.72 0.01 . 1 . . . . . . . . 5116 1
100 . 1 1 32 32 GLU CA C 13 60.7 0.1 . 1 . . . . . . . . 5116 1
101 . 1 1 32 32 GLU CB C 13 29.0 0.1 . 1 . . . . . . . . 5116 1
102 . 1 1 32 32 GLU N N 15 114.9 0.1 . 1 . . . . . . . . 5116 1
103 . 1 1 33 33 LYS H H 1 7.89 0.01 . 1 . . . . . . . . 5116 1
104 . 1 1 33 33 LYS CA C 13 58.9 0.1 . 1 . . . . . . . . 5116 1
105 . 1 1 33 33 LYS CB C 13 31.1 0.1 . 1 . . . . . . . . 5116 1
106 . 1 1 33 33 LYS N N 15 120.4 0.1 . 1 . . . . . . . . 5116 1
107 . 1 1 34 34 VAL H H 1 8.29 0.01 . 1 . . . . . . . . 5116 1
108 . 1 1 34 34 VAL CA C 13 66.9 0.1 . 1 . . . . . . . . 5116 1
109 . 1 1 34 34 VAL CB C 13 32.3 0.1 . 1 . . . . . . . . 5116 1
110 . 1 1 34 34 VAL N N 15 123.5 0.1 . 1 . . . . . . . . 5116 1
111 . 1 1 35 35 ALA H H 1 8.06 0.01 . 1 . . . . . . . . 5116 1
112 . 1 1 35 35 ALA CA C 13 55.8 0.1 . 1 . . . . . . . . 5116 1
113 . 1 1 35 35 ALA CB C 13 19.3 0.1 . 1 . . . . . . . . 5116 1
114 . 1 1 35 35 ALA N N 15 121.6 0.1 . 1 . . . . . . . . 5116 1
115 . 1 1 36 36 GLU H H 1 7.86 0.01 . 1 . . . . . . . . 5116 1
116 . 1 1 36 36 GLU CA C 13 60.3 0.1 . 1 . . . . . . . . 5116 1
117 . 1 1 36 36 GLU CB C 13 30.3 0.1 . 1 . . . . . . . . 5116 1
118 . 1 1 36 36 GLU N N 15 115.2 0.1 . 1 . . . . . . . . 5116 1
119 . 1 1 37 37 TRP H H 1 7.83 0.01 . 1 . . . . . . . . 5116 1
120 . 1 1 37 37 TRP CA C 13 62.6 0.1 . 1 . . . . . . . . 5116 1
121 . 1 1 37 37 TRP CB C 13 30.0 0.1 . 1 . . . . . . . . 5116 1
122 . 1 1 37 37 TRP N N 15 122.6 0.1 . 1 . . . . . . . . 5116 1
123 . 1 1 38 38 LEU H H 1 9.44 0.01 . 1 . . . . . . . . 5116 1
124 . 1 1 38 38 LEU CA C 13 58.1 0.1 . 1 . . . . . . . . 5116 1
125 . 1 1 38 38 LEU CB C 13 43.3 0.1 . 1 . . . . . . . . 5116 1
126 . 1 1 38 38 LEU N N 15 120.0 0.1 . 1 . . . . . . . . 5116 1
127 . 1 1 39 39 ALA H H 1 8.97 0.01 . 1 . . . . . . . . 5116 1
128 . 1 1 39 39 ALA CA C 13 55.3 0.1 . 1 . . . . . . . . 5116 1
129 . 1 1 39 39 ALA CB C 13 18.4 0.1 . 1 . . . . . . . . 5116 1
130 . 1 1 39 39 ALA N N 15 120.0 0.1 . 1 . . . . . . . . 5116 1
131 . 1 1 40 40 ARG H H 1 7.78 0.01 . 1 . . . . . . . . 5116 1
132 . 1 1 40 40 ARG CA C 13 59.4 0.1 . 1 . . . . . . . . 5116 1
133 . 1 1 40 40 ARG CB C 13 31.1 0.1 . 1 . . . . . . . . 5116 1
134 . 1 1 40 40 ARG N N 15 119.0 0.1 . 1 . . . . . . . . 5116 1
135 . 1 1 41 41 GLU H H 1 8.76 0.01 . 1 . . . . . . . . 5116 1
136 . 1 1 41 41 GLU CA C 13 57.5 0.1 . 1 . . . . . . . . 5116 1
137 . 1 1 41 41 GLU CB C 13 28.7 0.1 . 1 . . . . . . . . 5116 1
138 . 1 1 41 41 GLU N N 15 116.3 0.1 . 1 . . . . . . . . 5116 1
139 . 1 1 42 42 LEU H H 1 8.05 0.01 . 1 . . . . . . . . 5116 1
140 . 1 1 42 42 LEU CA C 13 55.4 0.1 . 1 . . . . . . . . 5116 1
141 . 1 1 42 42 LEU CB C 13 41.2 0.1 . 1 . . . . . . . . 5116 1
142 . 1 1 42 42 LEU N N 15 114.0 0.1 . 1 . . . . . . . . 5116 1
143 . 1 1 43 43 GLU H H 1 6.44 0.01 . 1 . . . . . . . . 5116 1
144 . 1 1 43 43 GLU CA C 13 54.8 0.1 . 1 . . . . . . . . 5116 1
145 . 1 1 43 43 GLU CB C 13 33.5 0.1 . 1 . . . . . . . . 5116 1
146 . 1 1 43 43 GLU N N 15 114.6 0.1 . 1 . . . . . . . . 5116 1
147 . 1 1 44 44 GLY H H 1 7.05 0.01 . 1 . . . . . . . . 5116 1
148 . 1 1 44 44 GLY CA C 13 46.5 0.1 . 1 . . . . . . . . 5116 1
149 . 1 1 44 44 GLY N N 15 108.4 0.1 . 1 . . . . . . . . 5116 1
150 . 1 1 45 45 ILE H H 1 7.99 0.01 . 1 . . . . . . . . 5116 1
151 . 1 1 45 45 ILE CA C 13 60.2 0.1 . 1 . . . . . . . . 5116 1
152 . 1 1 45 45 ILE CB C 13 37.5 0.1 . 1 . . . . . . . . 5116 1
153 . 1 1 45 45 ILE N N 15 123.0 0.1 . 1 . . . . . . . . 5116 1
154 . 1 1 46 46 GLN H H 1 8.54 0.01 . 1 . . . . . . . . 5116 1
155 . 1 1 46 46 GLN CA C 13 57.8 0.1 . 1 . . . . . . . . 5116 1
156 . 1 1 46 46 GLN CB C 13 28.2 0.1 . 1 . . . . . . . . 5116 1
157 . 1 1 46 46 GLN N N 15 127.6 0.1 . 1 . . . . . . . . 5116 1
158 . 1 1 47 47 LYS H H 1 7.20 0.01 . 1 . . . . . . . . 5116 1
159 . 1 1 47 47 LYS CA C 13 55.0 0.1 . 1 . . . . . . . . 5116 1
160 . 1 1 47 47 LYS CB C 13 34.4 0.1 . 1 . . . . . . . . 5116 1
161 . 1 1 47 47 LYS N N 15 117.1 0.1 . 1 . . . . . . . . 5116 1
162 . 1 1 48 48 MET H H 1 9.29 0.01 . 1 . . . . . . . . 5116 1
163 . 1 1 48 48 MET CA C 13 56.4 0.1 . 1 . . . . . . . . 5116 1
164 . 1 1 48 48 MET CB C 13 33.4 0.1 . 1 . . . . . . . . 5116 1
165 . 1 1 48 48 MET N N 15 127.6 0.1 . 1 . . . . . . . . 5116 1
166 . 1 1 49 49 THR H H 1 9.36 0.01 . 1 . . . . . . . . 5116 1
167 . 1 1 49 49 THR N N 15 119.0 0.1 . 1 . . . . . . . . 5116 1
168 . 1 1 50 50 GLU CA C 13 60.3 0.1 . 1 . . . . . . . . 5116 1
169 . 1 1 50 50 GLU CB C 13 29.3 0.1 . 1 . . . . . . . . 5116 1
170 . 1 1 51 51 GLU H H 1 8.08 0.01 . 1 . . . . . . . . 5116 1
171 . 1 1 51 51 GLU CA C 13 60.1 0.1 . 1 . . . . . . . . 5116 1
172 . 1 1 51 51 GLU CB C 13 30.9 0.1 . 1 . . . . . . . . 5116 1
173 . 1 1 51 51 GLU N N 15 117.8 0.1 . 1 . . . . . . . . 5116 1
174 . 1 1 52 52 HIS H H 1 7.23 0.01 . 1 . . . . . . . . 5116 1
175 . 1 1 52 52 HIS CA C 13 63.5 0.1 . 1 . . . . . . . . 5116 1
176 . 1 1 52 52 HIS CB C 13 31.7 0.1 . 1 . . . . . . . . 5116 1
177 . 1 1 52 52 HIS N N 15 116.0 0.1 . 1 . . . . . . . . 5116 1
178 . 1 1 53 53 TRP H H 1 8.46 0.01 . 1 . . . . . . . . 5116 1
179 . 1 1 53 53 TRP CA C 13 60.3 0.1 . 1 . . . . . . . . 5116 1
180 . 1 1 53 53 TRP CB C 13 30.3 0.1 . 1 . . . . . . . . 5116 1
181 . 1 1 53 53 TRP N N 15 116.7 0.1 . 1 . . . . . . . . 5116 1
182 . 1 1 54 54 LYS H H 1 8.58 0.01 . 1 . . . . . . . . 5116 1
183 . 1 1 54 54 LYS CA C 13 60.1 0.1 . 1 . . . . . . . . 5116 1
184 . 1 1 54 54 LYS CB C 13 32.9 0.1 . 1 . . . . . . . . 5116 1
185 . 1 1 54 54 LYS N N 15 120.9 0.1 . 1 . . . . . . . . 5116 1
186 . 1 1 55 55 LEU H H 1 7.63 0.01 . 1 . . . . . . . . 5116 1
187 . 1 1 55 55 LEU CA C 13 58.1 0.1 . 1 . . . . . . . . 5116 1
188 . 1 1 55 55 LEU CB C 13 42.1 0.1 . 1 . . . . . . . . 5116 1
189 . 1 1 55 55 LEU N N 15 117.7 0.1 . 1 . . . . . . . . 5116 1
190 . 1 1 56 56 VAL H H 1 8.69 0.01 . 1 . . . . . . . . 5116 1
191 . 1 1 56 56 VAL CA C 13 67.7 0.1 . 1 . . . . . . . . 5116 1
192 . 1 1 56 56 VAL CB C 13 32.2 0.1 . 1 . . . . . . . . 5116 1
193 . 1 1 56 56 VAL N N 15 118.5 0.1 . 1 . . . . . . . . 5116 1
194 . 1 1 57 57 LYS H H 1 9.42 0.01 . 1 . . . . . . . . 5116 1
195 . 1 1 57 57 LYS CA C 13 60.5 0.1 . 1 . . . . . . . . 5116 1
196 . 1 1 57 57 LYS CB C 13 32.1 0.1 . 1 . . . . . . . . 5116 1
197 . 1 1 57 57 LYS N N 15 118.0 0.1 . 1 . . . . . . . . 5116 1
198 . 1 1 58 58 TYR H H 1 7.54 0.01 . 1 . . . . . . . . 5116 1
199 . 1 1 58 58 TYR CA C 13 61.9 0.1 . 1 . . . . . . . . 5116 1
200 . 1 1 58 58 TYR CB C 13 38.5 0.1 . 1 . . . . . . . . 5116 1
201 . 1 1 58 58 TYR N N 15 120.0 0.1 . 1 . . . . . . . . 5116 1
202 . 1 1 59 59 LEU H H 1 8.17 0.01 . 1 . . . . . . . . 5116 1
203 . 1 1 59 59 LEU CA C 13 57.8 0.1 . 1 . . . . . . . . 5116 1
204 . 1 1 59 59 LEU CB C 13 41.5 0.1 . 1 . . . . . . . . 5116 1
205 . 1 1 59 59 LEU N N 15 118.8 0.1 . 1 . . . . . . . . 5116 1
206 . 1 1 60 60 ARG H H 1 8.94 0.01 . 1 . . . . . . . . 5116 1
207 . 1 1 60 60 ARG CA C 13 58.0 0.1 . 1 . . . . . . . . 5116 1
208 . 1 1 60 60 ARG CB C 13 29.2 0.1 . 1 . . . . . . . . 5116 1
209 . 1 1 60 60 ARG N N 15 118.8 0.1 . 1 . . . . . . . . 5116 1
210 . 1 1 61 61 GLU H H 1 8.18 0.01 . 1 . . . . . . . . 5116 1
211 . 1 1 61 61 GLU CA C 13 59.4 0.1 . 1 . . . . . . . . 5116 1
212 . 1 1 61 61 GLU CB C 13 29.4 0.1 . 1 . . . . . . . . 5116 1
213 . 1 1 61 61 GLU N N 15 119.0 0.1 . 1 . . . . . . . . 5116 1
214 . 1 1 62 62 TYR H H 1 8.21 0.01 . 1 . . . . . . . . 5116 1
215 . 1 1 62 62 TYR CA C 13 62.6 0.1 . 1 . . . . . . . . 5116 1
216 . 1 1 62 62 TYR CB C 13 38.7 0.1 . 1 . . . . . . . . 5116 1
217 . 1 1 62 62 TYR N N 15 123.2 0.1 . 1 . . . . . . . . 5116 1
218 . 1 1 63 63 TRP H H 1 8.79 0.01 . 1 . . . . . . . . 5116 1
219 . 1 1 63 63 TRP CA C 13 62.5 0.1 . 1 . . . . . . . . 5116 1
220 . 1 1 63 63 TRP CB C 13 27.9 0.1 . 1 . . . . . . . . 5116 1
221 . 1 1 63 63 TRP N N 15 121.6 0.1 . 1 . . . . . . . . 5116 1
222 . 1 1 64 64 GLU H H 1 9.09 0.01 . 1 . . . . . . . . 5116 1
223 . 1 1 64 64 GLU CA C 13 59.7 0.1 . 1 . . . . . . . . 5116 1
224 . 1 1 64 64 GLU CB C 13 29.9 0.1 . 1 . . . . . . . . 5116 1
225 . 1 1 64 64 GLU N N 15 119.7 0.1 . 1 . . . . . . . . 5116 1
226 . 1 1 65 65 THR H H 1 7.60 0.01 . 1 . . . . . . . . 5116 1
227 . 1 1 65 65 THR CA C 13 65.7 0.1 . 1 . . . . . . . . 5116 1
228 . 1 1 65 65 THR CB C 13 69.2 0.1 . 1 . . . . . . . . 5116 1
229 . 1 1 65 65 THR N N 15 114.0 0.1 . 1 . . . . . . . . 5116 1
230 . 1 1 66 66 PHE H H 1 8.47 0.01 . 1 . . . . . . . . 5116 1
231 . 1 1 66 66 PHE CA C 13 59.3 0.1 . 1 . . . . . . . . 5116 1
232 . 1 1 66 66 PHE CB C 13 40.6 0.1 . 1 . . . . . . . . 5116 1
233 . 1 1 66 66 PHE N N 15 116.9 0.1 . 1 . . . . . . . . 5116 1
234 . 1 1 67 67 GLY H H 1 8.45 0.01 . 1 . . . . . . . . 5116 1
235 . 1 1 67 67 GLY CA C 13 45.8 0.1 . 1 . . . . . . . . 5116 1
236 . 1 1 67 67 GLY N N 15 109.9 0.1 . 1 . . . . . . . . 5116 1
237 . 1 1 68 68 THR H H 1 7.23 0.01 . 1 . . . . . . . . 5116 1
238 . 1 1 68 68 THR CA C 13 59.1 0.1 . 1 . . . . . . . . 5116 1
239 . 1 1 68 68 THR CB C 13 70.2 0.1 . 1 . . . . . . . . 5116 1
240 . 1 1 68 68 THR N N 15 110.2 0.1 . 1 . . . . . . . . 5116 1
241 . 1 1 69 69 CYS H H 1 8.36 0.01 . 1 . . . . . . . . 5116 1
242 . 1 1 69 69 CYS N N 15 118.3 0.1 . 1 . . . . . . . . 5116 1
243 . 1 1 73 73 LYS CA C 13 59.5 0.1 . 1 . . . . . . . . 5116 1
244 . 1 1 73 73 LYS CB C 13 32.2 0.1 . 1 . . . . . . . . 5116 1
245 . 1 1 74 74 MET H H 1 7.09 0.01 . 1 . . . . . . . . 5116 1
246 . 1 1 74 74 MET CA C 13 57.8 0.1 . 1 . . . . . . . . 5116 1
247 . 1 1 74 74 MET CB C 13 32.6 0.1 . 1 . . . . . . . . 5116 1
248 . 1 1 74 74 MET N N 15 118.0 0.1 . 1 . . . . . . . . 5116 1
249 . 1 1 75 75 VAL H H 1 7.66 0.01 . 1 . . . . . . . . 5116 1
250 . 1 1 75 75 VAL CA C 13 66.2 0.1 . 1 . . . . . . . . 5116 1
251 . 1 1 75 75 VAL CB C 13 31.8 0.1 . 1 . . . . . . . . 5116 1
252 . 1 1 75 75 VAL N N 15 119.0 0.1 . 1 . . . . . . . . 5116 1
253 . 1 1 76 76 THR H H 1 8.71 0.01 . 1 . . . . . . . . 5116 1
254 . 1 1 76 76 THR CA C 13 65.6 0.1 . 1 . . . . . . . . 5116 1
255 . 1 1 76 76 THR CB C 13 68.8 0.1 . 1 . . . . . . . . 5116 1
256 . 1 1 76 76 THR N N 15 117.4 0.1 . 1 . . . . . . . . 5116 1
257 . 1 1 77 77 LYS H H 1 7.38 0.01 . 1 . . . . . . . . 5116 1
258 . 1 1 77 77 LYS CA C 13 59.6 0.1 . 1 . . . . . . . . 5116 1
259 . 1 1 77 77 LYS CB C 13 32.8 0.1 . 1 . . . . . . . . 5116 1
260 . 1 1 77 77 LYS N N 15 123.0 0.1 . 1 . . . . . . . . 5116 1
261 . 1 1 78 78 GLU H H 1 8.28 0.01 . 1 . . . . . . . . 5116 1
262 . 1 1 78 78 GLU CA C 13 58.7 0.1 . 1 . . . . . . . . 5116 1
263 . 1 1 78 78 GLU CB C 13 29.9 0.1 . 1 . . . . . . . . 5116 1
264 . 1 1 78 78 GLU N N 15 114.8 0.1 . 1 . . . . . . . . 5116 1
265 . 1 1 79 79 THR H H 1 7.72 0.01 . 1 . . . . . . . . 5116 1
266 . 1 1 79 79 THR CA C 13 62.4 0.1 . 1 . . . . . . . . 5116 1
267 . 1 1 79 79 THR CB C 13 71.4 0.1 . 1 . . . . . . . . 5116 1
268 . 1 1 79 79 THR N N 15 105.6 0.1 . 1 . . . . . . . . 5116 1
269 . 1 1 80 80 GLY H H 1 7.40 0.01 . 1 . . . . . . . . 5116 1
270 . 1 1 80 80 GLY CA C 13 45.3 0.1 . 1 . . . . . . . . 5116 1
271 . 1 1 80 80 GLY N N 15 109.0 0.1 . 1 . . . . . . . . 5116 1
272 . 1 1 81 81 PHE H H 1 7.70 0.01 . 1 . . . . . . . . 5116 1
273 . 1 1 81 81 PHE CA C 13 54.2 0.1 . 1 . . . . . . . . 5116 1
274 . 1 1 81 81 PHE CB C 13 38.3 0.1 . 1 . . . . . . . . 5116 1
275 . 1 1 81 81 PHE N N 15 120.4 0.1 . 1 . . . . . . . . 5116 1
276 . 1 1 82 82 SER H H 1 8.43 0.01 . 1 . . . . . . . . 5116 1
277 . 1 1 82 82 SER CA C 13 56.7 0.1 . 1 . . . . . . . . 5116 1
278 . 1 1 82 82 SER CB C 13 65.2 0.1 . 1 . . . . . . . . 5116 1
279 . 1 1 82 82 SER N N 15 118.5 0.1 . 1 . . . . . . . . 5116 1
280 . 1 1 83 83 LEU H H 1 8.96 0.01 . 1 . . . . . . . . 5116 1
281 . 1 1 83 83 LEU CA C 13 58.7 0.1 . 1 . . . . . . . . 5116 1
282 . 1 1 83 83 LEU CB C 13 42.0 0.1 . 1 . . . . . . . . 5116 1
283 . 1 1 83 83 LEU N N 15 121.9 0.1 . 1 . . . . . . . . 5116 1
284 . 1 1 84 84 GLU H H 1 8.61 0.01 . 1 . . . . . . . . 5116 1
285 . 1 1 84 84 GLU CA C 13 60.3 0.1 . 1 . . . . . . . . 5116 1
286 . 1 1 84 84 GLU CB C 13 29.1 0.1 . 1 . . . . . . . . 5116 1
287 . 1 1 84 84 GLU N N 15 116.8 0.1 . 1 . . . . . . . . 5116 1
288 . 1 1 85 85 LYS H H 1 7.85 0.01 . 1 . . . . . . . . 5116 1
289 . 1 1 85 85 LYS CA C 13 57.8 0.1 . 1 . . . . . . . . 5116 1
290 . 1 1 85 85 LYS CB C 13 31.5 0.1 . 1 . . . . . . . . 5116 1
291 . 1 1 85 85 LYS N N 15 122.4 0.1 . 1 . . . . . . . . 5116 1
292 . 1 1 86 86 ILE H H 1 8.54 0.01 . 1 . . . . . . . . 5116 1
293 . 1 1 86 86 ILE CA C 13 67.4 0.1 . 1 . . . . . . . . 5116 1
294 . 1 1 86 86 ILE CB C 13 37.0 0.1 . 1 . . . . . . . . 5116 1
295 . 1 1 86 86 ILE N N 15 120.0 0.1 . 1 . . . . . . . . 5116 1
296 . 1 1 87 87 TYR H H 1 7.91 0.01 . 1 . . . . . . . . 5116 1
297 . 1 1 87 87 TYR CA C 13 61.8 0.1 . 1 . . . . . . . . 5116 1
298 . 1 1 87 87 TYR CB C 13 39.1 0.1 . 1 . . . . . . . . 5116 1
299 . 1 1 87 87 TYR N N 15 116.8 0.1 . 1 . . . . . . . . 5116 1
300 . 1 1 88 88 GLN H H 1 7.54 0.01 . 1 . . . . . . . . 5116 1
301 . 1 1 88 88 GLN CA C 13 58.1 0.1 . 1 . . . . . . . . 5116 1
302 . 1 1 88 88 GLN CB C 13 28.2 0.1 . 1 . . . . . . . . 5116 1
303 . 1 1 88 88 GLN N N 15 118.8 0.1 . 1 . . . . . . . . 5116 1
304 . 1 1 89 89 LEU H H 1 7.56 0.01 . 1 . . . . . . . . 5116 1
305 . 1 1 89 89 LEU CA C 13 56.4 0.1 . 1 . . . . . . . . 5116 1
306 . 1 1 89 89 LEU CB C 13 43.3 0.1 . 1 . . . . . . . . 5116 1
307 . 1 1 89 89 LEU N N 15 119.0 0.1 . 1 . . . . . . . . 5116 1
308 . 1 1 90 90 PHE H H 1 8.66 0.01 . 1 . . . . . . . . 5116 1
309 . 1 1 90 90 PHE N N 15 115.5 0.1 . 1 . . . . . . . . 5116 1
310 . 1 1 91 91 PRO CA C 13 64.8 0.1 . 1 . . . . . . . . 5116 1
311 . 1 1 91 91 PRO CB C 13 32.3 0.1 . 1 . . . . . . . . 5116 1
312 . 1 1 92 92 SER H H 1 10.30 0.01 . 1 . . . . . . . . 5116 1
313 . 1 1 92 92 SER CA C 13 59.5 0.1 . 1 . . . . . . . . 5116 1
314 . 1 1 92 92 SER CB C 13 61.4 0.1 . 1 . . . . . . . . 5116 1
315 . 1 1 92 92 SER N N 15 113.5 0.1 . 1 . . . . . . . . 5116 1
316 . 1 1 93 93 GLY H H 1 9.04 0.01 . 1 . . . . . . . . 5116 1
317 . 1 1 93 93 GLY N N 15 110.8 0.1 . 1 . . . . . . . . 5116 1
318 . 1 1 94 94 PRO CA C 13 65.5 0.1 . 1 . . . . . . . . 5116 1
319 . 1 1 94 94 PRO CB C 13 31.7 0.1 . 1 . . . . . . . . 5116 1
320 . 1 1 95 95 ALA H H 1 8.06 0.01 . 1 . . . . . . . . 5116 1
321 . 1 1 95 95 ALA CA C 13 54.6 0.1 . 1 . . . . . . . . 5116 1
322 . 1 1 95 95 ALA CB C 13 19.7 0.1 . 1 . . . . . . . . 5116 1
323 . 1 1 95 95 ALA N N 15 120.5 0.1 . 1 . . . . . . . . 5116 1
324 . 1 1 96 96 HIS H H 1 8.22 0.01 . 1 . . . . . . . . 5116 1
325 . 1 1 96 96 HIS CA C 13 57.7 0.1 . 1 . . . . . . . . 5116 1
326 . 1 1 96 96 HIS CB C 13 31.1 0.1 . 1 . . . . . . . . 5116 1
327 . 1 1 96 96 HIS N N 15 112.6 0.1 . 1 . . . . . . . . 5116 1
328 . 1 1 97 97 GLY H H 1 6.70 0.01 . 1 . . . . . . . . 5116 1
329 . 1 1 97 97 GLY CA C 13 46.6 0.1 . 1 . . . . . . . . 5116 1
330 . 1 1 97 97 GLY N N 15 105.2 0.1 . 1 . . . . . . . . 5116 1
331 . 1 1 98 98 ALA H H 1 7.49 0.01 . 1 . . . . . . . . 5116 1
332 . 1 1 98 98 ALA CA C 13 56.2 0.1 . 1 . . . . . . . . 5116 1
333 . 1 1 98 98 ALA CB C 13 18.7 0.1 . 1 . . . . . . . . 5116 1
334 . 1 1 98 98 ALA N N 15 126.7 0.1 . 1 . . . . . . . . 5116 1
335 . 1 1 99 99 CYS H H 1 8.12 0.01 . 1 . . . . . . . . 5116 1
336 . 1 1 99 99 CYS CA C 13 64.8 0.1 . 1 . . . . . . . . 5116 1
337 . 1 1 99 99 CYS CB C 13 26.8 0.1 . 1 . . . . . . . . 5116 1
338 . 1 1 99 99 CYS N N 15 113.6 0.1 . 1 . . . . . . . . 5116 1
339 . 1 1 100 100 LYS H H 1 6.05 0.01 . 1 . . . . . . . . 5116 1
340 . 1 1 100 100 LYS CA C 13 58.6 0.1 . 1 . . . . . . . . 5116 1
341 . 1 1 100 100 LYS CB C 13 32.0 0.1 . 1 . . . . . . . . 5116 1
342 . 1 1 100 100 LYS N N 15 117.9 0.1 . 1 . . . . . . . . 5116 1
343 . 1 1 101 101 VAL H H 1 7.70 0.01 . 1 . . . . . . . . 5116 1
344 . 1 1 101 101 VAL CA C 13 65.9 0.1 . 1 . . . . . . . . 5116 1
345 . 1 1 101 101 VAL CB C 13 31.5 0.1 . 1 . . . . . . . . 5116 1
346 . 1 1 101 101 VAL N N 15 120.6 0.1 . 1 . . . . . . . . 5116 1
347 . 1 1 102 102 ALA H H 1 7.55 0.01 . 1 . . . . . . . . 5116 1
348 . 1 1 102 102 ALA CA C 13 52.0 0.1 . 1 . . . . . . . . 5116 1
349 . 1 1 102 102 ALA CB C 13 18.6 0.1 . 1 . . . . . . . . 5116 1
350 . 1 1 102 102 ALA N N 15 119.5 0.1 . 1 . . . . . . . . 5116 1
351 . 1 1 103 103 GLY H H 1 7.52 0.01 . 1 . . . . . . . . 5116 1
352 . 1 1 103 103 GLY CA C 13 47.1 0.1 . 1 . . . . . . . . 5116 1
353 . 1 1 103 103 GLY N N 15 104.1 0.1 . 1 . . . . . . . . 5116 1
354 . 1 1 104 104 ALA H H 1 6.91 0.01 . 1 . . . . . . . . 5116 1
355 . 1 1 104 104 ALA N N 15 117.2 0.1 . 1 . . . . . . . . 5116 1
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