Content for NMR-STAR saveframe, "shifts_assigned"
save_shifts_assigned
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shifts_assigned
_Assigned_chem_shift_list.Entry_ID 4767
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_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 HNCO 1 $sample_1 . 4767 1
2 HBHA(CBCACO)NH 1 $sample_1 . 4767 1
3 HNCACB 1 $sample_1 . 4767 1
4 CBCA(CO)NH 1 $sample_1 . 4767 1
5 '1H-15N TOCSY-HSQC' 1 $sample_1 . 4767 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 ALA HA H 1 4.19 0.05 . 1 . . . . . . . . 4767 1
2 . 1 1 1 1 ALA CA C 13 51.3 0.5 . 1 . . . . . . . . 4767 1
3 . 1 1 1 1 ALA CB C 13 19.1 0.5 . 1 . . . . . . . . 4767 1
4 . 1 1 1 1 ALA C C 13 173.4 0.5 . 1 . . . . . . . . 4767 1
5 . 1 1 2 2 ASP HA H 1 4.69 0.05 . 1 . . . . . . . . 4767 1
6 . 1 1 2 2 ASP CA C 13 53.1 0.5 . 1 . . . . . . . . 4767 1
7 . 1 1 2 2 ASP CB C 13 40.6 0.5 . 1 . . . . . . . . 4767 1
8 . 1 1 2 2 ASP C C 13 176.1 0.5 . 1 . . . . . . . . 4767 1
9 . 1 1 3 3 LEU HA H 1 4.10 0.05 . 1 . . . . . . . . 4767 1
10 . 1 1 3 3 LEU CA C 13 58.8 0.5 . 1 . . . . . . . . 4767 1
11 . 1 1 3 3 LEU CB C 13 41.8 0.5 . 1 . . . . . . . . 4767 1
12 . 1 1 3 3 LEU C C 13 178.4 0.5 . 1 . . . . . . . . 4767 1
13 . 1 1 4 4 GLU HA H 1 4.11 0.05 . 1 . . . . . . . . 4767 1
14 . 1 1 4 4 GLU CA C 13 59.1 0.5 . 1 . . . . . . . . 4767 1
15 . 1 1 4 4 GLU CB C 13 28.4 0.5 . 1 . . . . . . . . 4767 1
16 . 1 1 4 4 GLU C C 13 179.0 0.5 . 1 . . . . . . . . 4767 1
17 . 1 1 5 5 ASP HA H 1 4.53 0.05 . 1 . . . . . . . . 4767 1
18 . 1 1 5 5 ASP CA C 13 57.3 0.5 . 1 . . . . . . . . 4767 1
19 . 1 1 5 5 ASP CB C 13 40.0 0.5 . 1 . . . . . . . . 4767 1
20 . 1 1 5 5 ASP C C 13 179.0 0.5 . 1 . . . . . . . . 4767 1
21 . 1 1 6 6 ASN HA H 1 4.62 0.05 . 1 . . . . . . . . 4767 1
22 . 1 1 6 6 ASN CA C 13 56.8 0.5 . 1 . . . . . . . . 4767 1
23 . 1 1 6 6 ASN CB C 13 39.4 0.5 . 1 . . . . . . . . 4767 1
24 . 1 1 6 6 ASN C C 13 177.7 0.5 . 1 . . . . . . . . 4767 1
25 . 1 1 7 7 MET HA H 1 4.56 0.05 . 1 . . . . . . . . 4767 1
26 . 1 1 7 7 MET CA C 13 57.5 0.5 . 1 . . . . . . . . 4767 1
27 . 1 1 7 7 MET CB C 13 30.4 0.5 . 1 . . . . . . . . 4767 1
28 . 1 1 7 7 MET C C 13 179.4 0.5 . 1 . . . . . . . . 4767 1
29 . 1 1 8 8 GLU HA H 1 4.29 0.05 . 1 . . . . . . . . 4767 1
30 . 1 1 8 8 GLU CA C 13 58.8 0.5 . 1 . . . . . . . . 4767 1
31 . 1 1 8 8 GLU CB C 13 28.2 0.5 . 1 . . . . . . . . 4767 1
32 . 1 1 8 8 GLU C C 13 178.4 0.5 . 1 . . . . . . . . 4767 1
33 . 1 1 9 9 THR HA H 1 4.13 0.05 . 1 . . . . . . . . 4767 1
34 . 1 1 9 9 THR CA C 13 66.5 0.5 . 1 . . . . . . . . 4767 1
35 . 1 1 9 9 THR CB C 13 68.0 0.5 . 1 . . . . . . . . 4767 1
36 . 1 1 9 9 THR C C 13 178.3 0.5 . 1 . . . . . . . . 4767 1
37 . 1 1 10 10 LEU HA H 1 4.07 0.05 . 1 . . . . . . . . 4767 1
38 . 1 1 10 10 LEU CA C 13 59.9 0.5 . 1 . . . . . . . . 4767 1
39 . 1 1 10 10 LEU CB C 13 41.5 0.5 . 1 . . . . . . . . 4767 1
40 . 1 1 10 10 LEU C C 13 177.5 0.5 . 1 . . . . . . . . 4767 1
41 . 1 1 11 11 ASN HA H 1 4.47 0.05 . 1 . . . . . . . . 4767 1
42 . 1 1 11 11 ASN CA C 13 56.3 0.5 . 1 . . . . . . . . 4767 1
43 . 1 1 11 11 ASN CB C 13 38.7 0.5 . 1 . . . . . . . . 4767 1
44 . 1 1 11 11 ASN C C 13 178.1 0.5 . 1 . . . . . . . . 4767 1
45 . 1 1 12 12 ASP HA H 1 4.44 0.05 . 1 . . . . . . . . 4767 1
46 . 1 1 12 12 ASP CA C 13 57.4 0.5 . 1 . . . . . . . . 4767 1
47 . 1 1 12 12 ASP CB C 13 39.8 0.5 . 1 . . . . . . . . 4767 1
48 . 1 1 12 12 ASP C C 13 179.6 0.5 . 1 . . . . . . . . 4767 1
49 . 1 1 13 13 ASN HA H 1 4.59 0.05 . 1 . . . . . . . . 4767 1
50 . 1 1 13 13 ASN CA C 13 57.3 0.5 . 1 . . . . . . . . 4767 1
51 . 1 1 13 13 ASN CB C 13 40.5 0.5 . 1 . . . . . . . . 4767 1
52 . 1 1 13 13 ASN C C 13 177.0 0.5 . 1 . . . . . . . . 4767 1
53 . 1 1 14 14 LEU HA H 1 4.16 0.05 . 1 . . . . . . . . 4767 1
54 . 1 1 14 14 LEU CA C 13 58.5 0.5 . 1 . . . . . . . . 4767 1
55 . 1 1 14 14 LEU CB C 13 41.2 0.5 . 1 . . . . . . . . 4767 1
56 . 1 1 14 14 LEU C C 13 179.0 0.5 . 1 . . . . . . . . 4767 1
57 . 1 1 15 15 LYS HA H 1 4.18 0.05 . 1 . . . . . . . . 4767 1
58 . 1 1 15 15 LYS CA C 13 59.2 0.5 . 1 . . . . . . . . 4767 1
59 . 1 1 15 15 LYS CB C 13 31.7 0.5 . 1 . . . . . . . . 4767 1
60 . 1 1 15 15 LYS C C 13 179.3 0.5 . 1 . . . . . . . . 4767 1
61 . 1 1 16 16 VAL HA H 1 3.61 0.05 . 1 . . . . . . . . 4767 1
62 . 1 1 16 16 VAL CA C 13 66.4 0.5 . 1 . . . . . . . . 4767 1
63 . 1 1 16 16 VAL CB C 13 31.3 0.5 . 1 . . . . . . . . 4767 1
64 . 1 1 16 16 VAL C C 13 179.1 0.5 . 1 . . . . . . . . 4767 1
65 . 1 1 17 17 ILE HA H 1 3.44 0.05 . 1 . . . . . . . . 4767 1
66 . 1 1 17 17 ILE CA C 13 66.3 0.5 . 1 . . . . . . . . 4767 1
67 . 1 1 17 17 ILE CB C 13 38.2 0.5 . 1 . . . . . . . . 4767 1
68 . 1 1 17 17 ILE C C 13 177.8 0.5 . 1 . . . . . . . . 4767 1
69 . 1 1 18 18 GLU HA H 1 3.99 0.05 . 1 . . . . . . . . 4767 1
70 . 1 1 18 18 GLU CA C 13 58.5 0.5 . 1 . . . . . . . . 4767 1
71 . 1 1 18 18 GLU CB C 13 28.9 0.5 . 1 . . . . . . . . 4767 1
72 . 1 1 18 18 GLU C C 13 177.6 0.5 . 1 . . . . . . . . 4767 1
73 . 1 1 19 19 LYS HA H 1 4.49 0.05 . 1 . . . . . . . . 4767 1
74 . 1 1 19 19 LYS CA C 13 54.8 0.5 . 1 . . . . . . . . 4767 1
75 . 1 1 19 19 LYS CB C 13 33.0 0.5 . 1 . . . . . . . . 4767 1
76 . 1 1 19 19 LYS C C 13 175.9 0.5 . 1 . . . . . . . . 4767 1
77 . 1 1 20 20 ALA HA H 1 4.21 0.05 . 1 . . . . . . . . 4767 1
78 . 1 1 20 20 ALA CA C 13 53.1 0.5 . 1 . . . . . . . . 4767 1
79 . 1 1 20 20 ALA CB C 13 20.9 0.5 . 1 . . . . . . . . 4767 1
80 . 1 1 20 20 ALA C C 13 177.0 0.5 . 1 . . . . . . . . 4767 1
81 . 1 1 21 21 ASP HA H 1 4.86 0.05 . 1 . . . . . . . . 4767 1
82 . 1 1 21 21 ASP CA C 13 53.3 0.5 . 1 . . . . . . . . 4767 1
83 . 1 1 21 21 ASP CB C 13 42.7 0.5 . 1 . . . . . . . . 4767 1
84 . 1 1 21 21 ASP C C 13 176.1 0.5 . 1 . . . . . . . . 4767 1
85 . 1 1 22 22 ASN HA H 1 5.02 0.05 . 1 . . . . . . . . 4767 1
86 . 1 1 22 22 ASN CA C 13 51.9 0.5 . 1 . . . . . . . . 4767 1
87 . 1 1 22 22 ASN CB C 13 41.2 0.5 . 1 . . . . . . . . 4767 1
88 . 1 1 22 22 ASN C C 13 174.3 0.5 . 1 . . . . . . . . 4767 1
89 . 1 1 23 23 ALA HA H 1 3.84 0.05 . 1 . . . . . . . . 4767 1
90 . 1 1 23 23 ALA CA C 13 55.0 0.5 . 1 . . . . . . . . 4767 1
91 . 1 1 23 23 ALA CB C 13 18.3 0.5 . 1 . . . . . . . . 4767 1
92 . 1 1 23 23 ALA C C 13 178.4 0.5 . 1 . . . . . . . . 4767 1
93 . 1 1 24 24 ALA HA H 1 4.10 0.05 . 1 . . . . . . . . 4767 1
94 . 1 1 24 24 ALA CA C 13 55.5 0.5 . 1 . . . . . . . . 4767 1
95 . 1 1 24 24 ALA CB C 13 17.5 0.5 . 1 . . . . . . . . 4767 1
96 . 1 1 24 24 ALA C C 13 180.6 0.5 . 1 . . . . . . . . 4767 1
97 . 1 1 25 25 GLN HA H 1 4.20 0.05 . 1 . . . . . . . . 4767 1
98 . 1 1 25 25 GLN CA C 13 58.3 0.5 . 1 . . . . . . . . 4767 1
99 . 1 1 25 25 GLN CB C 13 29.6 0.5 . 1 . . . . . . . . 4767 1
100 . 1 1 25 25 GLN C C 13 179.7 0.5 . 1 . . . . . . . . 4767 1
101 . 1 1 26 26 VAL HA H 1 3.56 0.05 . 1 . . . . . . . . 4767 1
102 . 1 1 26 26 VAL CA C 13 66.8 0.5 . 1 . . . . . . . . 4767 1
103 . 1 1 26 26 VAL CB C 13 31.7 0.5 . 1 . . . . . . . . 4767 1
104 . 1 1 26 26 VAL C C 13 176.8 0.5 . 1 . . . . . . . . 4767 1
105 . 1 1 27 27 LYS HA H 1 3.79 0.05 . 1 . . . . . . . . 4767 1
106 . 1 1 27 27 LYS CA C 13 60.4 0.5 . 1 . . . . . . . . 4767 1
107 . 1 1 27 27 LYS CB C 13 32.3 0.5 . 1 . . . . . . . . 4767 1
108 . 1 1 27 27 LYS C C 13 179.0 0.5 . 1 . . . . . . . . 4767 1
109 . 1 1 28 28 ASP HA H 1 4.41 0.05 . 1 . . . . . . . . 4767 1
110 . 1 1 28 28 ASP CA C 13 57.5 0.5 . 1 . . . . . . . . 4767 1
111 . 1 1 28 28 ASP CB C 13 41.2 0.5 . 1 . . . . . . . . 4767 1
112 . 1 1 28 28 ASP C C 13 177.9 0.5 . 1 . . . . . . . . 4767 1
113 . 1 1 29 29 ALA HA H 1 4.26 0.05 . 1 . . . . . . . . 4767 1
114 . 1 1 29 29 ALA CA C 13 54.8 0.5 . 1 . . . . . . . . 4767 1
115 . 1 1 29 29 ALA CB C 13 19.5 0.5 . 1 . . . . . . . . 4767 1
116 . 1 1 29 29 ALA C C 13 180.5 0.5 . 1 . . . . . . . . 4767 1
117 . 1 1 30 30 LEU HA H 1 4.19 0.05 . 1 . . . . . . . . 4767 1
118 . 1 1 30 30 LEU CA C 13 57.6 0.5 . 1 . . . . . . . . 4767 1
119 . 1 1 30 30 LEU CB C 13 42.4 0.5 . 1 . . . . . . . . 4767 1
120 . 1 1 30 30 LEU C C 13 179.1 0.5 . 1 . . . . . . . . 4767 1
121 . 1 1 31 31 THR HA H 1 3.83 0.05 . 1 . . . . . . . . 4767 1
122 . 1 1 31 31 THR CA C 13 67.6 0.5 . 1 . . . . . . . . 4767 1
123 . 1 1 31 31 THR CB C 13 68.1 0.5 . 1 . . . . . . . . 4767 1
124 . 1 1 31 31 THR C C 13 177.5 0.5 . 1 . . . . . . . . 4767 1
125 . 1 1 32 32 LYS HA H 1 4.16 0.05 . 1 . . . . . . . . 4767 1
126 . 1 1 32 32 LYS CA C 13 59.4 0.5 . 1 . . . . . . . . 4767 1
127 . 1 1 32 32 LYS CB C 13 32.4 0.5 . 1 . . . . . . . . 4767 1
128 . 1 1 32 32 LYS C C 13 180.6 0.5 . 1 . . . . . . . . 4767 1
129 . 1 1 33 33 MET HA H 1 3.79 0.05 . 1 . . . . . . . . 4767 1
130 . 1 1 33 33 MET CA C 13 59.9 0.5 . 1 . . . . . . . . 4767 1
131 . 1 1 33 33 MET CB C 13 33.6 0.5 . 1 . . . . . . . . 4767 1
132 . 1 1 33 33 MET C C 13 176.7 0.5 . 1 . . . . . . . . 4767 1
133 . 1 1 34 34 ARG HA H 1 3.71 0.05 . 1 . . . . . . . . 4767 1
134 . 1 1 34 34 ARG CA C 13 60.2 0.5 . 1 . . . . . . . . 4767 1
135 . 1 1 34 34 ARG CB C 13 30.5 0.5 . 1 . . . . . . . . 4767 1
136 . 1 1 34 34 ARG C C 13 177.2 0.5 . 1 . . . . . . . . 4767 1
137 . 1 1 35 35 ALA HA H 1 4.14 0.05 . 1 . . . . . . . . 4767 1
138 . 1 1 35 35 ALA CA C 13 54.6 0.5 . 1 . . . . . . . . 4767 1
139 . 1 1 35 35 ALA CB C 13 17.8 0.5 . 1 . . . . . . . . 4767 1
140 . 1 1 35 35 ALA C C 13 180.5 0.5 . 1 . . . . . . . . 4767 1
141 . 1 1 36 36 ALA HA H 1 4.21 0.05 . 1 . . . . . . . . 4767 1
142 . 1 1 36 36 ALA CA C 13 54.6 0.5 . 1 . . . . . . . . 4767 1
143 . 1 1 36 36 ALA CB C 13 18.1 0.5 . 1 . . . . . . . . 4767 1
144 . 1 1 36 36 ALA C C 13 179.2 0.5 . 1 . . . . . . . . 4767 1
145 . 1 1 37 37 ALA HA H 1 3.93 0.05 . 1 . . . . . . . . 4767 1
146 . 1 1 37 37 ALA CA C 13 55.0 0.5 . 1 . . . . . . . . 4767 1
147 . 1 1 37 37 ALA CB C 13 18.6 0.5 . 1 . . . . . . . . 4767 1
148 . 1 1 37 37 ALA C C 13 178.5 0.5 . 1 . . . . . . . . 4767 1
149 . 1 1 38 38 LEU HA H 1 3.99 0.05 . 1 . . . . . . . . 4767 1
150 . 1 1 38 38 LEU CA C 13 57.3 0.5 . 1 . . . . . . . . 4767 1
151 . 1 1 38 38 LEU CB C 13 42.0 0.5 . 1 . . . . . . . . 4767 1
152 . 1 1 38 38 LEU C C 13 179.9 0.5 . 1 . . . . . . . . 4767 1
153 . 1 1 39 39 ASP HA H 1 4.43 0.05 . 1 . . . . . . . . 4767 1
154 . 1 1 39 39 ASP CA C 13 57.2 0.5 . 1 . . . . . . . . 4767 1
155 . 1 1 39 39 ASP CB C 13 41.2 0.5 . 1 . . . . . . . . 4767 1
156 . 1 1 39 39 ASP C C 13 179.3 0.5 . 1 . . . . . . . . 4767 1
157 . 1 1 40 40 ALA HA H 1 3.83 0.05 . 1 . . . . . . . . 4767 1
158 . 1 1 40 40 ALA CA C 13 54.6 0.5 . 1 . . . . . . . . 4767 1
159 . 1 1 40 40 ALA CB C 13 18.2 0.5 . 1 . . . . . . . . 4767 1
160 . 1 1 40 40 ALA C C 13 177.8 0.5 . 1 . . . . . . . . 4767 1
161 . 1 1 41 41 GLN HA H 1 3.37 0.05 . 1 . . . . . . . . 4767 1
162 . 1 1 41 41 GLN CA C 13 57.5 0.5 . 1 . . . . . . . . 4767 1
163 . 1 1 41 41 GLN CB C 13 29.1 0.5 . 1 . . . . . . . . 4767 1
164 . 1 1 41 41 GLN C C 13 175.6 0.5 . 1 . . . . . . . . 4767 1
165 . 1 1 42 42 LYS HA H 1 4.34 0.05 . 1 . . . . . . . . 4767 1
166 . 1 1 42 42 LYS CA C 13 55.9 0.5 . 1 . . . . . . . . 4767 1
167 . 1 1 42 42 LYS CB C 13 32.9 0.5 . 1 . . . . . . . . 4767 1
168 . 1 1 42 42 LYS C C 13 176.7 0.5 . 1 . . . . . . . . 4767 1
169 . 1 1 43 43 ALA HA H 1 4.46 0.05 . 1 . . . . . . . . 4767 1
170 . 1 1 43 43 ALA CA C 13 51.5 0.5 . 1 . . . . . . . . 4767 1
171 . 1 1 43 43 ALA CB C 13 20.4 0.5 . 1 . . . . . . . . 4767 1
172 . 1 1 43 43 ALA C C 13 175.8 0.5 . 1 . . . . . . . . 4767 1
173 . 1 1 44 44 THR HA H 1 4.45 0.05 . 1 . . . . . . . . 4767 1
174 . 1 1 44 44 THR CA C 13 59.2 0.5 . 1 . . . . . . . . 4767 1
175 . 1 1 44 44 THR CB C 13 70.0 0.5 . 1 . . . . . . . . 4767 1
176 . 1 1 46 46 PRO HA H 1 4.38 0.05 . 1 . . . . . . . . 4767 1
177 . 1 1 46 46 PRO CA C 13 64.7 0.5 . 1 . . . . . . . . 4767 1
178 . 1 1 46 46 PRO CB C 13 31.9 0.5 . 1 . . . . . . . . 4767 1
179 . 1 1 46 46 PRO C C 13 178.7 0.5 . 1 . . . . . . . . 4767 1
180 . 1 1 47 47 LYS HA H 1 4.24 0.05 . 1 . . . . . . . . 4767 1
181 . 1 1 47 47 LYS CA C 13 57.6 0.5 . 1 . . . . . . . . 4767 1
182 . 1 1 47 47 LYS CB C 13 31.9 0.5 . 1 . . . . . . . . 4767 1
183 . 1 1 47 47 LYS C C 13 176.9 0.5 . 1 . . . . . . . . 4767 1
184 . 1 1 48 48 LEU HA H 1 4.56 0.05 . 1 . . . . . . . . 4767 1
185 . 1 1 48 48 LEU CA C 13 53.5 0.5 . 1 . . . . . . . . 4767 1
186 . 1 1 48 48 LEU CB C 13 41.7 0.5 . 1 . . . . . . . . 4767 1
187 . 1 1 49 49 GLU HA H 1 3.99 0.05 . 1 . . . . . . . . 4767 1
188 . 1 1 49 49 GLU CA C 13 58.6 0.5 . 1 . . . . . . . . 4767 1
189 . 1 1 49 49 GLU CB C 13 29.0 0.5 . 1 . . . . . . . . 4767 1
190 . 1 1 49 49 GLU C C 13 176.3 0.5 . 1 . . . . . . . . 4767 1
191 . 1 1 50 50 ASP HA H 1 4.71 0.05 . 1 . . . . . . . . 4767 1
192 . 1 1 50 50 ASP CA C 13 53.5 0.5 . 1 . . . . . . . . 4767 1
193 . 1 1 50 50 ASP CB C 13 39.9 0.5 . 1 . . . . . . . . 4767 1
194 . 1 1 50 50 ASP C C 13 176.1 0.5 . 1 . . . . . . . . 4767 1
195 . 1 1 51 51 LYS HA H 1 4.56 0.05 . 1 . . . . . . . . 4767 1
196 . 1 1 51 51 LYS CA C 13 53.7 0.5 . 1 . . . . . . . . 4767 1
197 . 1 1 51 51 LYS CB C 13 32.6 0.5 . 1 . . . . . . . . 4767 1
198 . 1 1 51 51 LYS C C 13 176.8 0.5 . 1 . . . . . . . . 4767 1
199 . 1 1 52 52 SER HA H 1 4.80 0.05 . 1 . . . . . . . . 4767 1
200 . 1 1 52 52 SER CA C 13 56.5 0.5 . 1 . . . . . . . . 4767 1
201 . 1 1 52 52 SER CB C 13 62.7 0.5 . 1 . . . . . . . . 4767 1
202 . 1 1 53 53 PRO HA H 1 4.42 0.05 . 1 . . . . . . . . 4767 1
203 . 1 1 53 53 PRO CA C 13 65.0 0.5 . 1 . . . . . . . . 4767 1
204 . 1 1 53 53 PRO CB C 13 31.7 0.5 . 1 . . . . . . . . 4767 1
205 . 1 1 53 53 PRO C C 13 175.9 0.5 . 1 . . . . . . . . 4767 1
206 . 1 1 54 54 ASP HA H 1 4.79 0.05 . 1 . . . . . . . . 4767 1
207 . 1 1 54 54 ASP CA C 13 52.8 0.5 . 1 . . . . . . . . 4767 1
208 . 1 1 54 54 ASP CB C 13 40.6 0.5 . 1 . . . . . . . . 4767 1
209 . 1 1 54 54 ASP C C 13 175.6 0.5 . 1 . . . . . . . . 4767 1
210 . 1 1 55 55 SER HA H 1 4.60 0.05 . 1 . . . . . . . . 4767 1
211 . 1 1 55 55 SER CA C 13 56.7 0.5 . 1 . . . . . . . . 4767 1
212 . 1 1 55 55 SER CB C 13 62.8 0.5 . 1 . . . . . . . . 4767 1
213 . 1 1 56 56 PRO HA H 1 4.27 0.05 . 1 . . . . . . . . 4767 1
214 . 1 1 56 56 PRO CA C 13 65.5 0.5 . 1 . . . . . . . . 4767 1
215 . 1 1 56 56 PRO CB C 13 31.6 0.5 . 1 . . . . . . . . 4767 1
216 . 1 1 56 56 PRO C C 13 179.5 0.5 . 1 . . . . . . . . 4767 1
217 . 1 1 57 57 GLU HA H 1 4.23 0.05 . 1 . . . . . . . . 4767 1
218 . 1 1 57 57 GLU CA C 13 60.1 0.5 . 1 . . . . . . . . 4767 1
219 . 1 1 57 57 GLU CB C 13 29.4 0.5 . 1 . . . . . . . . 4767 1
220 . 1 1 57 57 GLU C C 13 179.9 0.5 . 1 . . . . . . . . 4767 1
221 . 1 1 58 58 MET HA H 1 4.27 0.05 . 1 . . . . . . . . 4767 1
222 . 1 1 58 58 MET CA C 13 56.2 0.5 . 1 . . . . . . . . 4767 1
223 . 1 1 58 58 MET CB C 13 30.3 0.5 . 1 . . . . . . . . 4767 1
224 . 1 1 58 58 MET C C 13 179.4 0.5 . 1 . . . . . . . . 4767 1
225 . 1 1 59 59 LYS HA H 1 4.12 0.05 . 1 . . . . . . . . 4767 1
226 . 1 1 59 59 LYS CA C 13 60.5 0.5 . 1 . . . . . . . . 4767 1
227 . 1 1 59 59 LYS CB C 13 32.0 0.5 . 1 . . . . . . . . 4767 1
228 . 1 1 59 59 LYS C C 13 180.3 0.5 . 1 . . . . . . . . 4767 1
229 . 1 1 60 60 ASP HA H 1 4.65 0.05 . 1 . . . . . . . . 4767 1
230 . 1 1 60 60 ASP CA C 13 57.5 0.5 . 1 . . . . . . . . 4767 1
231 . 1 1 60 60 ASP CB C 13 41.0 0.5 . 1 . . . . . . . . 4767 1
232 . 1 1 60 60 ASP C C 13 178.3 0.5 . 1 . . . . . . . . 4767 1
233 . 1 1 61 61 PHE HA H 1 4.44 0.05 . 1 . . . . . . . . 4767 1
234 . 1 1 61 61 PHE CA C 13 61.5 0.5 . 1 . . . . . . . . 4767 1
235 . 1 1 61 61 PHE CB C 13 39.0 0.5 . 1 . . . . . . . . 4767 1
236 . 1 1 61 61 PHE C C 13 178.5 0.5 . 1 . . . . . . . . 4767 1
237 . 1 1 62 62 ARG HA H 1 4.06 0.05 . 1 . . . . . . . . 4767 1
238 . 1 1 62 62 ARG CA C 13 61.1 0.5 . 1 . . . . . . . . 4767 1
239 . 1 1 62 62 ARG CB C 13 30.4 0.5 . 1 . . . . . . . . 4767 1
240 . 1 1 62 62 ARG C C 13 176.8 0.5 . 1 . . . . . . . . 4767 1
241 . 1 1 63 63 HIS HA H 1 4.72 0.05 . 1 . . . . . . . . 4767 1
242 . 1 1 63 63 HIS CA C 13 58.4 0.5 . 1 . . . . . . . . 4767 1
243 . 1 1 63 63 HIS CB C 13 28.0 0.5 . 1 . . . . . . . . 4767 1
244 . 1 1 63 63 HIS C C 13 177.2 0.5 . 1 . . . . . . . . 4767 1
245 . 1 1 64 64 GLY HA2 H 1 3.62 0.05 . 2 . . . . . . . . 4767 1
246 . 1 1 64 64 GLY HA3 H 1 3.29 0.05 . 2 . . . . . . . . 4767 1
247 . 1 1 64 64 GLY CA C 13 47.0 0.5 . 1 . . . . . . . . 4767 1
248 . 1 1 64 64 GLY C C 13 176.7 0.5 . 1 . . . . . . . . 4767 1
249 . 1 1 65 65 PHE HA H 1 4.21 0.05 . 1 . . . . . . . . 4767 1
250 . 1 1 65 65 PHE CA C 13 62.4 0.5 . 1 . . . . . . . . 4767 1
251 . 1 1 65 65 PHE CB C 13 39.2 0.5 . 1 . . . . . . . . 4767 1
252 . 1 1 65 65 PHE C C 13 176.9 0.5 . 1 . . . . . . . . 4767 1
253 . 1 1 66 66 ASP HA H 1 4.51 0.05 . 1 . . . . . . . . 4767 1
254 . 1 1 66 66 ASP CA C 13 57.9 0.5 . 1 . . . . . . . . 4767 1
255 . 1 1 66 66 ASP CB C 13 39.8 0.5 . 1 . . . . . . . . 4767 1
256 . 1 1 66 66 ASP C C 13 179.9 0.5 . 1 . . . . . . . . 4767 1
257 . 1 1 67 67 ILE HA H 1 3.70 0.05 . 1 . . . . . . . . 4767 1
258 . 1 1 67 67 ILE CA C 13 63.5 0.5 . 1 . . . . . . . . 4767 1
259 . 1 1 67 67 ILE CB C 13 36.7 0.5 . 1 . . . . . . . . 4767 1
260 . 1 1 67 67 ILE C C 13 179 0.5 . 1 . . . . . . . . 4767 1
261 . 1 1 68 68 LEU HA H 1 4.27 0.05 . 1 . . . . . . . . 4767 1
262 . 1 1 68 68 LEU CA C 13 58.4 0.5 . 1 . . . . . . . . 4767 1
263 . 1 1 68 68 LEU CB C 13 42.4 0.5 . 1 . . . . . . . . 4767 1
264 . 1 1 68 68 LEU C C 13 178.6 0.5 . 1 . . . . . . . . 4767 1
265 . 1 1 69 69 VAL HA H 1 3.49 0.05 . 1 . . . . . . . . 4767 1
266 . 1 1 69 69 VAL CA C 13 68.0 0.5 . 1 . . . . . . . . 4767 1
267 . 1 1 69 69 VAL CB C 13 31.4 0.5 . 1 . . . . . . . . 4767 1
268 . 1 1 69 69 VAL C C 13 177.4 0.5 . 1 . . . . . . . . 4767 1
269 . 1 1 70 70 GLY HA2 H 1 3.99 0.05 . 1 . . . . . . . . 4767 1
270 . 1 1 70 70 GLY HA3 H 1 3.99 0.05 . 1 . . . . . . . . 4767 1
271 . 1 1 70 70 GLY CA C 13 47.8 0.5 . 1 . . . . . . . . 4767 1
272 . 1 1 70 70 GLY C C 13 176.5 0.5 . 1 . . . . . . . . 4767 1
273 . 1 1 71 71 GLN HA H 1 4.24 0.05 . 1 . . . . . . . . 4767 1
274 . 1 1 71 71 GLN CA C 13 59.2 0.5 . 1 . . . . . . . . 4767 1
275 . 1 1 71 71 GLN CB C 13 29.1 0.5 . 1 . . . . . . . . 4767 1
276 . 1 1 71 71 GLN C C 13 180.4 0.5 . 1 . . . . . . . . 4767 1
277 . 1 1 72 72 ILE HA H 1 3.57 0.05 . 1 . . . . . . . . 4767 1
278 . 1 1 72 72 ILE CA C 13 65.7 0.5 . 1 . . . . . . . . 4767 1
279 . 1 1 72 72 ILE CB C 13 37.9 0.5 . 1 . . . . . . . . 4767 1
280 . 1 1 72 72 ILE C C 13 177.5 0.5 . 1 . . . . . . . . 4767 1
281 . 1 1 73 73 ASP HA H 1 4.66 0.05 . 1 . . . . . . . . 4767 1
282 . 1 1 73 73 ASP CA C 13 59.9 0.5 . 1 . . . . . . . . 4767 1
283 . 1 1 73 73 ASP CB C 13 39.2 0.5 . 1 . . . . . . . . 4767 1
284 . 1 1 73 73 ASP C C 13 179.0 0.5 . 1 . . . . . . . . 4767 1
285 . 1 1 74 74 ASP HA H 1 4.54 0.05 . 1 . . . . . . . . 4767 1
286 . 1 1 74 74 ASP CA C 13 57.6 0.5 . 1 . . . . . . . . 4767 1
287 . 1 1 74 74 ASP CB C 13 39.9 0.5 . 1 . . . . . . . . 4767 1
288 . 1 1 74 74 ASP C C 13 178.8 0.5 . 1 . . . . . . . . 4767 1
289 . 1 1 75 75 ALA HA H 1 4.14 0.05 . 1 . . . . . . . . 4767 1
290 . 1 1 75 75 ALA CA C 13 55.2 0.5 . 1 . . . . . . . . 4767 1
291 . 1 1 75 75 ALA CB C 13 17.8 0.5 . 1 . . . . . . . . 4767 1
292 . 1 1 75 75 ALA C C 13 179.1 0.5 . 1 . . . . . . . . 4767 1
293 . 1 1 76 76 LEU HA H 1 3.89 0.05 . 1 . . . . . . . . 4767 1
294 . 1 1 76 76 LEU CA C 13 57.7 0.5 . 1 . . . . . . . . 4767 1
295 . 1 1 76 76 LEU CB C 13 42.1 0.5 . 1 . . . . . . . . 4767 1
296 . 1 1 76 76 LEU C C 13 178.6 0.5 . 1 . . . . . . . . 4767 1
297 . 1 1 77 77 LYS HA H 1 4.10 0.05 . 1 . . . . . . . . 4767 1
298 . 1 1 77 77 LYS CA C 13 60.0 0.5 . 1 . . . . . . . . 4767 1
299 . 1 1 77 77 LYS CB C 13 32.1 0.5 . 1 . . . . . . . . 4767 1
300 . 1 1 77 77 LYS C C 13 179.2 0.5 . 1 . . . . . . . . 4767 1
301 . 1 1 78 78 LEU HA H 1 4.16 0.05 . 1 . . . . . . . . 4767 1
302 . 1 1 78 78 LEU CA C 13 58.0 0.5 . 1 . . . . . . . . 4767 1
303 . 1 1 78 78 LEU CB C 13 41.5 0.5 . 1 . . . . . . . . 4767 1
304 . 1 1 78 78 LEU C C 13 179.4 0.5 . 1 . . . . . . . . 4767 1
305 . 1 1 79 79 ALA HA H 1 3.74 0.05 . 1 . . . . . . . . 4767 1
306 . 1 1 79 79 ALA CA C 13 55.6 0.5 . 1 . . . . . . . . 4767 1
307 . 1 1 79 79 ALA CB C 13 17.1 0.5 . 1 . . . . . . . . 4767 1
308 . 1 1 79 79 ALA C C 13 180.9 0.5 . 1 . . . . . . . . 4767 1
309 . 1 1 80 80 ASN HA H 1 4.53 0.05 . 1 . . . . . . . . 4767 1
310 . 1 1 80 80 ASN CA C 13 55.8 0.5 . 1 . . . . . . . . 4767 1
311 . 1 1 80 80 ASN CB C 13 38.2 0.5 . 1 . . . . . . . . 4767 1
312 . 1 1 80 80 ASN C C 13 177.0 0.5 . 1 . . . . . . . . 4767 1
313 . 1 1 81 81 GLU HA H 1 4.49 0.05 . 1 . . . . . . . . 4767 1
314 . 1 1 81 81 GLU CA C 13 56.3 0.5 . 1 . . . . . . . . 4767 1
315 . 1 1 81 81 GLU CB C 13 29.7 0.5 . 1 . . . . . . . . 4767 1
316 . 1 1 81 81 GLU C C 13 176.4 0.5 . 1 . . . . . . . . 4767 1
317 . 1 1 82 82 GLY HA2 H 1 4.35 0.05 . 2 . . . . . . . . 4767 1
318 . 1 1 82 82 GLY HA3 H 1 3.61 0.05 . 2 . . . . . . . . 4767 1
319 . 1 1 82 82 GLY CA C 13 45.4 0.5 . 1 . . . . . . . . 4767 1
320 . 1 1 82 82 GLY C C 13 174.7 0.5 . 1 . . . . . . . . 4767 1
321 . 1 1 83 83 LYS HA H 1 4.56 0.05 . 1 . . . . . . . . 4767 1
322 . 1 1 83 83 LYS CA C 13 54.5 0.5 . 1 . . . . . . . . 4767 1
323 . 1 1 83 83 LYS CB C 13 30.4 0.5 . 1 . . . . . . . . 4767 1
324 . 1 1 83 83 LYS C C 13 175.8 0.5 . 1 . . . . . . . . 4767 1
325 . 1 1 84 84 VAL HA H 1 3.29 0.05 . 1 . . . . . . . . 4767 1
326 . 1 1 84 84 VAL CA C 13 67.7 0.5 . 1 . . . . . . . . 4767 1
327 . 1 1 84 84 VAL CB C 13 31.7 0.5 . 1 . . . . . . . . 4767 1
328 . 1 1 84 84 VAL C C 13 176.0 0.5 . 1 . . . . . . . . 4767 1
329 . 1 1 85 85 LYS HA H 1 4.52 0.05 . 1 . . . . . . . . 4767 1
330 . 1 1 85 85 LYS CA C 13 58.9 0.5 . 1 . . . . . . . . 4767 1
331 . 1 1 85 85 LYS CB C 13 31.2 0.5 . 1 . . . . . . . . 4767 1
332 . 1 1 85 85 LYS C C 13 180.7 0.5 . 1 . . . . . . . . 4767 1
333 . 1 1 86 86 GLU HA H 1 4.11 0.05 . 1 . . . . . . . . 4767 1
334 . 1 1 86 86 GLU CA C 13 60.3 0.5 . 1 . . . . . . . . 4767 1
335 . 1 1 86 86 GLU CB C 13 28.5 0.5 . 1 . . . . . . . . 4767 1
336 . 1 1 86 86 GLU C C 13 179.8 0.5 . 1 . . . . . . . . 4767 1
337 . 1 1 87 87 ALA HA H 1 4.13 0.05 . 1 . . . . . . . . 4767 1
338 . 1 1 87 87 ALA CA C 13 55.4 0.5 . 1 . . . . . . . . 4767 1
339 . 1 1 87 87 ALA CB C 13 18.4 0.5 . 1 . . . . . . . . 4767 1
340 . 1 1 87 87 ALA C C 13 179.4 0.5 . 1 . . . . . . . . 4767 1
341 . 1 1 88 88 GLN HA H 1 3.79 0.05 . 1 . . . . . . . . 4767 1
342 . 1 1 88 88 GLN CA C 13 57.8 0.5 . 1 . . . . . . . . 4767 1
343 . 1 1 88 88 GLN CB C 13 28.7 0.5 . 1 . . . . . . . . 4767 1
344 . 1 1 88 88 GLN C C 13 179.1 0.5 . 1 . . . . . . . . 4767 1
345 . 1 1 89 89 ALA HA H 1 4.24 0.05 . 1 . . . . . . . . 4767 1
346 . 1 1 89 89 ALA CA C 13 55.5 0.5 . 1 . . . . . . . . 4767 1
347 . 1 1 89 89 ALA CB C 13 17.5 0.5 . 1 . . . . . . . . 4767 1
348 . 1 1 89 89 ALA C C 13 180.8 0.5 . 1 . . . . . . . . 4767 1
349 . 1 1 90 90 ALA HA H 1 4.21 0.05 . 1 . . . . . . . . 4767 1
350 . 1 1 90 90 ALA CA C 13 54.9 0.5 . 1 . . . . . . . . 4767 1
351 . 1 1 90 90 ALA CB C 13 17.5 0.5 . 1 . . . . . . . . 4767 1
352 . 1 1 90 90 ALA C C 13 181.0 0.5 . 1 . . . . . . . . 4767 1
353 . 1 1 91 91 ALA HA H 1 4.01 0.05 . 1 . . . . . . . . 4767 1
354 . 1 1 91 91 ALA CA C 13 54.4 0.5 . 1 . . . . . . . . 4767 1
355 . 1 1 91 91 ALA CB C 13 18.0 0.5 . 1 . . . . . . . . 4767 1
356 . 1 1 91 91 ALA C C 13 178.4 0.5 . 1 . . . . . . . . 4767 1
357 . 1 1 92 92 GLU HA H 1 4.15 0.05 . 1 . . . . . . . . 4767 1
358 . 1 1 92 92 GLU CA C 13 58.3 0.5 . 1 . . . . . . . . 4767 1
359 . 1 1 92 92 GLU CB C 13 28.6 0.5 . 1 . . . . . . . . 4767 1
360 . 1 1 92 92 GLU C C 13 179.2 0.5 . 1 . . . . . . . . 4767 1
361 . 1 1 93 93 GLN HA H 1 4.26 0.05 . 1 . . . . . . . . 4767 1
362 . 1 1 93 93 GLN CA C 13 57.1 0.5 . 1 . . . . . . . . 4767 1
363 . 1 1 93 93 GLN CB C 13 28.3 0.5 . 1 . . . . . . . . 4767 1
364 . 1 1 93 93 GLN C C 13 177.7 0.5 . 1 . . . . . . . . 4767 1
365 . 1 1 94 94 LEU HA H 1 4.17 0.05 . 1 . . . . . . . . 4767 1
366 . 1 1 94 94 LEU CA C 13 56.9 0.5 . 1 . . . . . . . . 4767 1
367 . 1 1 94 94 LEU CB C 13 41.2 0.5 . 1 . . . . . . . . 4767 1
368 . 1 1 95 95 LYS HA H 1 4.01 0.05 . 1 . . . . . . . . 4767 1
369 . 1 1 95 95 LYS CA C 13 58.8 0.5 . 1 . . . . . . . . 4767 1
370 . 1 1 95 95 LYS CB C 13 32.5 0.5 . 1 . . . . . . . . 4767 1
371 . 1 1 95 95 LYS C C 13 177.9 0.5 . 1 . . . . . . . . 4767 1
372 . 1 1 96 96 THR HA H 1 4.23 0.05 . 1 . . . . . . . . 4767 1
373 . 1 1 96 96 THR CA C 13 63.4 0.5 . 1 . . . . . . . . 4767 1
374 . 1 1 96 96 THR CB C 13 68.8 0.5 . 1 . . . . . . . . 4767 1
375 . 1 1 97 97 THR HA H 1 4.13 0.05 . 1 . . . . . . . . 4767 1
376 . 1 1 97 97 THR CA C 13 63.8 0.5 . 1 . . . . . . . . 4767 1
377 . 1 1 97 97 THR CB C 13 68.8 0.5 . 1 . . . . . . . . 4767 1
378 . 1 1 97 97 THR C C 13 175.3 0.5 . 1 . . . . . . . . 4767 1
379 . 1 1 98 98 ARG HA H 1 4.13 0.05 . 1 . . . . . . . . 4767 1
380 . 1 1 98 98 ARG CA C 13 58.0 0.5 . 1 . . . . . . . . 4767 1
381 . 1 1 98 98 ARG CB C 13 29.7 0.5 . 1 . . . . . . . . 4767 1
382 . 1 1 98 98 ARG C C 13 177.6 0.5 . 1 . . . . . . . . 4767 1
383 . 1 1 99 99 ASN HA H 1 4.59 0.05 . 1 . . . . . . . . 4767 1
384 . 1 1 99 99 ASN CA C 13 54.7 0.5 . 1 . . . . . . . . 4767 1
385 . 1 1 99 99 ASN CB C 13 38.2 0.5 . 1 . . . . . . . . 4767 1
386 . 1 1 99 99 ASN C C 13 176.5 0.5 . 1 . . . . . . . . 4767 1
387 . 1 1 100 100 ALA HA H 1 4.15 0.05 . 1 . . . . . . . . 4767 1
388 . 1 1 100 100 ALA CA C 13 54.2 0.5 . 1 . . . . . . . . 4767 1
389 . 1 1 100 100 ALA CB C 13 18.0 0.5 . 1 . . . . . . . . 4767 1
390 . 1 1 100 100 ALA C C 13 179.2 0.5 . 1 . . . . . . . . 4767 1
391 . 1 1 101 101 TYR HA H 1 4.40 0.05 . 1 . . . . . . . . 4767 1
392 . 1 1 101 101 TYR CA C 13 59.9 0.5 . 1 . . . . . . . . 4767 1
393 . 1 1 101 101 TYR CB C 13 38.1 0.5 . 1 . . . . . . . . 4767 1
394 . 1 1 101 101 TYR C C 13 176.6 0.5 . 1 . . . . . . . . 4767 1
395 . 1 1 102 102 HIS HA H 1 4.57 0.05 . 1 . . . . . . . . 4767 1
396 . 1 1 102 102 HIS CA C 13 56.7 0.5 . 1 . . . . . . . . 4767 1
397 . 1 1 102 102 HIS CB C 13 29.3 0.5 . 1 . . . . . . . . 4767 1
398 . 1 1 102 102 HIS C C 13 175.5 0.5 . 1 . . . . . . . . 4767 1
399 . 1 1 103 103 GLN HA H 1 4.15 0.05 . 1 . . . . . . . . 4767 1
400 . 1 1 103 103 GLN CA C 13 56.9 0.5 . 1 . . . . . . . . 4767 1
401 . 1 1 103 103 GLN CB C 13 28.1 0.5 . 1 . . . . . . . . 4767 1
402 . 1 1 103 103 GLN C C 13 176.4 0.5 . 1 . . . . . . . . 4767 1
403 . 1 1 104 104 LYS HA H 1 4.09 0.05 . 1 . . . . . . . . 4767 1
404 . 1 1 104 104 LYS CA C 13 57.0 0.5 . 1 . . . . . . . . 4767 1
405 . 1 1 104 104 LYS CB C 13 40.8 0.5 . 1 . . . . . . . . 4767 1
406 . 1 1 104 104 LYS C C 13 176.8 0.5 . 1 . . . . . . . . 4767 1
407 . 1 1 105 105 TYR HA H 1 4.70 0.05 . 1 . . . . . . . . 4767 1
408 . 1 1 105 105 TYR C C 13 174.3 0.5 . 1 . . . . . . . . 4767 1
409 . 1 1 106 106 ARG HA H 1 4.17 0.05 . 1 . . . . . . . . 4767 1
410 . 1 1 106 106 ARG CA C 13 57.3 0.5 . 1 . . . . . . . . 4767 1
411 . 1 1 106 106 ARG CB C 13 30.9 0.5 . 1 . . . . . . . . 4767 1
stop_
save_