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 27023
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $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
;
The reported chemical shift assignment is numbered according to "entry_citation".
All assigned chemical shifts of Ascl1 fragments deposited start from the first
biologically relevant aminoacid and do not take into account the artificial tag
at the N-terminus (see "entry_citation".
;
_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 '3D BEST-TROSY HCNs' . . . 27023 1
2 '3D BEST-TROSY HNNs' . . . 27023 1
3 HADAMAC . . . 27023 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $CCPNMR . . 27023 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 10 10 MET H H 1 8.43 . . 1 . . . . 1 MET H . 27023 1
2 . 1 1 10 10 MET C C 13 177.13 . . 1 . . . . 1 MET C . 27023 1
3 . 1 1 10 10 MET CA C 13 55.38 . . 1 . . . . 1 MET CA . 27023 1
4 . 1 1 10 10 MET CB C 13 32.83 . . 1 . . . . 1 MET CB . 27023 1
5 . 1 1 10 10 MET N N 15 122.35 . . 1 . . . . 1 MET N . 27023 1
6 . 1 1 11 11 GLU H H 1 8.58 . . 1 . . . . 2 GLU H . 27023 1
7 . 1 1 11 11 GLU C C 13 176.57 . . 1 . . . . 2 GLU C . 27023 1
8 . 1 1 11 11 GLU CA C 13 56.62 . . 1 . . . . 2 GLU CA . 27023 1
9 . 1 1 11 11 GLU CB C 13 30.19 . . 1 . . . . 2 GLU CB . 27023 1
10 . 1 1 11 11 GLU N N 15 122.7 . . 1 . . . . 2 GLU N . 27023 1
11 . 1 1 12 12 SER H H 1 8.46 . . 1 . . . . 3 SER H . 27023 1
12 . 1 1 12 12 SER C C 13 178.44 . . 1 . . . . 3 SER C . 27023 1
13 . 1 1 12 12 SER CA C 13 58.45 . . 1 . . . . 3 SER CA . 27023 1
14 . 1 1 12 12 SER CB C 13 63.78 . . 1 . . . . 3 SER CB . 27023 1
15 . 1 1 12 12 SER N N 15 117.01 . . 1 . . . . 3 SER N . 27023 1
16 . 1 1 13 13 SER H H 1 8.38 . . 1 . . . . 4 SER H . 27023 1
17 . 1 1 13 13 SER C C 13 178.88 . . 1 . . . . 4 SER C . 27023 1
18 . 1 1 13 13 SER CA C 13 58.52 . . 1 . . . . 4 SER CA . 27023 1
19 . 1 1 13 13 SER CB C 13 63.67 . . 1 . . . . 4 SER CB . 27023 1
20 . 1 1 13 13 SER N N 15 118.07 . . 1 . . . . 4 SER N . 27023 1
21 . 1 1 14 14 ALA H H 1 8.27 . . 1 . . . . 5 ALA H . 27023 1
22 . 1 1 14 14 ALA C C 13 175.53 . . 1 . . . . 5 ALA C . 27023 1
23 . 1 1 14 14 ALA CA C 13 52.65 . . 1 . . . . 5 ALA CA . 27023 1
24 . 1 1 14 14 ALA CB C 13 19.1 . . 1 . . . . 5 ALA CB . 27023 1
25 . 1 1 14 14 ALA N N 15 125.85 . . 1 . . . . 5 ALA N . 27023 1
26 . 1 1 15 15 LYS H H 1 8.25 . . 1 . . . . 6 LYS H . 27023 1
27 . 1 1 15 15 LYS C C 13 176.58 . . 1 . . . . 6 LYS C . 27023 1
28 . 1 1 15 15 LYS CA C 13 56.24 . . 1 . . . . 6 LYS CA . 27023 1
29 . 1 1 15 15 LYS CB C 13 32.83 . . 1 . . . . 6 LYS CB . 27023 1
30 . 1 1 15 15 LYS N N 15 120.53 . . 1 . . . . 6 LYS N . 27023 1
31 . 1 1 16 16 MET H H 1 8.4 . . 1 . . . . 7 MET H . 27023 1
32 . 1 1 16 16 MET C C 13 176.86 . . 1 . . . . 7 MET C . 27023 1
33 . 1 1 16 16 MET CA C 13 55.48 . . 1 . . . . 7 MET CA . 27023 1
34 . 1 1 16 16 MET CB C 13 32.8 . . 1 . . . . 7 MET CB . 27023 1
35 . 1 1 16 16 MET N N 15 122.05 . . 1 . . . . 7 MET N . 27023 1
36 . 1 1 17 17 GLU H H 1 8.55 . . 1 . . . . 8 GLU H . 27023 1
37 . 1 1 17 17 GLU C C 13 176.6 . . 1 . . . . 8 GLU C . 27023 1
38 . 1 1 17 17 GLU CA C 13 56.51 . . 1 . . . . 8 GLU CA . 27023 1
39 . 1 1 17 17 GLU CB C 13 30.24 . . 1 . . . . 8 GLU CB . 27023 1
40 . 1 1 17 17 GLU N N 15 122.75 . . 1 . . . . 8 GLU N . 27023 1
41 . 1 1 18 18 SER H H 1 8.46 . . 1 . . . . 9 SER H . 27023 1
42 . 1 1 18 18 SER C C 13 178.02 . . 1 . . . . 9 SER C . 27023 1
43 . 1 1 18 18 SER CA C 13 58.49 . . 1 . . . . 9 SER CA . 27023 1
44 . 1 1 18 18 SER CB C 13 63.74 . . 1 . . . . 9 SER CB . 27023 1
45 . 1 1 18 18 SER N N 15 117.04 . . 1 . . . . 9 SER N . 27023 1
46 . 1 1 19 19 GLY H H 1 8.51 . . 1 . . . . 10 GLY H . 27023 1
47 . 1 1 19 19 GLY C C 13 178.47 . . 1 . . . . 10 GLY C . 27023 1
48 . 1 1 19 19 GLY CA C 13 45.41 . . 1 . . . . 10 GLY CA . 27023 1
49 . 1 1 19 19 GLY N N 15 110.98 . . 1 . . . . 10 GLY N . 27023 1
50 . 1 1 20 20 GLY H H 1 8.3 . . 1 . . . . 11 GLY H . 27023 1
51 . 1 1 20 20 GLY C C 13 179.11 . . 1 . . . . 11 GLY C . 27023 1
52 . 1 1 20 20 GLY CA C 13 45.13 . . 1 . . . . 11 GLY CA . 27023 1
53 . 1 1 20 20 GLY N N 15 108.8 . . 1 . . . . 11 GLY N . 27023 1
54 . 1 1 21 21 ALA H H 1 8.34 . . 1 . . . . 12 ALA H . 27023 1
55 . 1 1 21 21 ALA C C 13 174.73 . . 1 . . . . 12 ALA C . 27023 1
56 . 1 1 21 21 ALA CA C 13 52.72 . . 1 . . . . 12 ALA CA . 27023 1
57 . 1 1 21 21 ALA CB C 13 19.05 . . 1 . . . . 12 ALA CB . 27023 1
58 . 1 1 21 21 ALA N N 15 123.86 . . 1 . . . . 12 ALA N . 27023 1
59 . 1 1 22 22 GLY H H 1 8.48 . . 1 . . . . 13 GLY H . 27023 1
60 . 1 1 22 22 GLY C C 13 179.07 . . 1 . . . . 13 GLY C . 27023 1
61 . 1 1 22 22 GLY CA C 13 45.2 . . 1 . . . . 13 GLY CA . 27023 1
62 . 1 1 22 22 GLY N N 15 108.18 . . 1 . . . . 13 GLY N . 27023 1
63 . 1 1 23 23 GLN H H 1 8.18 . . 1 . . . . 14 GLN H . 27023 1
64 . 1 1 23 23 GLN C C 13 177.29 . . 1 . . . . 14 GLN C . 27023 1
65 . 1 1 23 23 GLN CA C 13 55.59 . . 1 . . . . 14 GLN CA . 27023 1
66 . 1 1 23 23 GLN CB C 13 29.54 . . 1 . . . . 14 GLN CB . 27023 1
67 . 1 1 23 23 GLN N N 15 119.57 . . 1 . . . . 14 GLN N . 27023 1
68 . 1 1 24 24 GLN H H 1 8.52 . . 1 . . . . 15 GLN H . 27023 1
69 . 1 1 24 24 GLN C C 13 179.26 . . 1 . . . . 15 GLN C . 27023 1
70 . 1 1 24 24 GLN CA C 13 53.6 . . 1 . . . . 15 GLN CA . 27023 1
71 . 1 1 24 24 GLN CB C 13 28.84 . . 1 . . . . 15 GLN CB . 27023 1
72 . 1 1 24 24 GLN N N 15 123.1 . . 1 . . . . 15 GLN N . 27023 1
73 . 1 1 29 29 PRO C C 13 176.43 . . 1 . . . . 20 PRO C . 27023 1
74 . 1 1 29 29 PRO CA C 13 63.01 . . 1 . . . . 20 PRO CA . 27023 1
75 . 1 1 29 29 PRO CB C 13 32.03 . . 1 . . . . 20 PRO CB . 27023 1
76 . 1 1 30 30 GLN H H 1 8.56 . . 1 . . . . 21 GLN H . 27023 1
77 . 1 1 30 30 GLN C C 13 177.36 . . 1 . . . . 21 GLN C . 27023 1
78 . 1 1 30 30 GLN CA C 13 55.74 . . 1 . . . . 21 GLN CA . 27023 1
79 . 1 1 30 30 GLN CB C 13 29.62 . . 1 . . . . 21 GLN CB . 27023 1
80 . 1 1 30 30 GLN N N 15 120.88 . . 1 . . . . 21 GLN N . 27023 1
81 . 1 1 31 31 GLN H H 1 8.47 . . 1 . . . . 22 GLN H . 27023 1
82 . 1 1 31 31 GLN C C 13 179.29 . . 1 . . . . 22 GLN C . 27023 1
83 . 1 1 31 31 GLN CA C 13 53.58 . . 1 . . . . 22 GLN CA . 27023 1
84 . 1 1 31 31 GLN CB C 13 29.03 . . 1 . . . . 22 GLN CB . 27023 1
85 . 1 1 31 31 GLN N N 15 122.97 . . 1 . . . . 22 GLN N . 27023 1
86 . 1 1 32 32 PRO C C 13 177.02 . . 1 . . . . 23 PRO C . 27023 1
87 . 1 1 32 32 PRO CA C 13 63.06 . . 1 . . . . 23 PRO CA . 27023 1
88 . 1 1 32 32 PRO CB C 13 31.97 . . 1 . . . . 23 PRO CB . 27023 1
89 . 1 1 33 33 PHE H H 1 8.29 . . 1 . . . . 24 PHE H . 27023 1
90 . 1 1 33 33 PHE C C 13 178.27 . . 1 . . . . 24 PHE C . 27023 1
91 . 1 1 33 33 PHE CA C 13 57.47 . . 1 . . . . 24 PHE CA . 27023 1
92 . 1 1 33 33 PHE CB C 13 39.41 . . 1 . . . . 24 PHE CB . 27023 1
93 . 1 1 33 33 PHE N N 15 120.59 . . 1 . . . . 24 PHE N . 27023 1
94 . 1 1 34 34 LEU H H 1 8.07 . . 1 . . . . 25 LEU H . 27023 1
95 . 1 1 34 34 LEU C C 13 179.41 . . 1 . . . . 25 LEU C . 27023 1
96 . 1 1 34 34 LEU CA C 13 52.08 . . 1 . . . . 25 LEU CA . 27023 1
97 . 1 1 34 34 LEU CB C 13 42.24 . . 1 . . . . 25 LEU CB . 27023 1
98 . 1 1 34 34 LEU N N 15 126.89 . . 1 . . . . 25 LEU N . 27023 1
99 . 1 1 36 36 PRO C C 13 176.38 . . 1 . . . . 27 PRO C . 27023 1
100 . 1 1 36 36 PRO CA C 13 63.09 . . 1 . . . . 27 PRO CA . 27023 1
101 . 1 1 36 36 PRO CB C 13 32 . . 1 . . . . 27 PRO CB . 27023 1
102 . 1 1 37 37 ALA H H 1 8.37 . . 1 . . . . 28 ALA H . 27023 1
103 . 1 1 37 37 ALA C C 13 175.41 . . 1 . . . . 28 ALA C . 27023 1
104 . 1 1 37 37 ALA CA C 13 52.53 . . 1 . . . . 28 ALA CA . 27023 1
105 . 1 1 37 37 ALA CB C 13 19.18 . . 1 . . . . 28 ALA CB . 27023 1
106 . 1 1 37 37 ALA N N 15 123.74 . . 1 . . . . 28 ALA N . 27023 1
107 . 1 1 38 38 ALA H H 1 8.29 . . 1 . . . . 29 ALA H . 27023 1
108 . 1 1 38 38 ALA C C 13 175.34 . . 1 . . . . 29 ALA C . 27023 1
109 . 1 1 38 38 ALA CA C 13 52.8 . . 1 . . . . 29 ALA CA . 27023 1
110 . 1 1 38 38 ALA CB C 13 19.03 . . 1 . . . . 29 ALA CB . 27023 1
111 . 1 1 38 38 ALA N N 15 122.7 . . 1 . . . . 29 ALA N . 27023 1
112 . 1 1 39 39 CYS H H 1 8.15 . . 1 . . . . 30 CYS H . 27023 1
113 . 1 1 39 39 CYS C C 13 178.91 . . 1 . . . . 30 CYS C . 27023 1
114 . 1 1 39 39 CYS CA C 13 58.52 . . 1 . . . . 30 CYS CA . 27023 1
115 . 1 1 39 39 CYS CB C 13 27.94 . . 1 . . . . 30 CYS CB . 27023 1
116 . 1 1 39 39 CYS N N 15 117.78 . . 1 . . . . 30 CYS N . 27023 1
117 . 1 1 40 40 PHE H H 1 8.17 . . 1 . . . . 31 PHE H . 27023 1
118 . 1 1 40 40 PHE C C 13 177.76 . . 1 . . . . 31 PHE C . 27023 1
119 . 1 1 40 40 PHE CA C 13 58.31 . . 1 . . . . 31 PHE CA . 27023 1
120 . 1 1 40 40 PHE CB C 13 39.59 . . 1 . . . . 31 PHE CB . 27023 1
121 . 1 1 40 40 PHE N N 15 122.91 . . 1 . . . . 31 PHE N . 27023 1
122 . 1 1 41 41 PHE H H 1 8.1 . . 1 . . . . 32 PHE H . 27023 1
123 . 1 1 41 41 PHE C C 13 177.3 . . 1 . . . . 32 PHE C . 27023 1
124 . 1 1 41 41 PHE CA C 13 57.98 . . 1 . . . . 32 PHE CA . 27023 1
125 . 1 1 41 41 PHE CB C 13 40.05 . . 1 . . . . 32 PHE CB . 27023 1
126 . 1 1 41 41 PHE N N 15 121.08 . . 1 . . . . 32 PHE N . 27023 1
127 . 1 1 42 42 ALA H H 1 8.47 . . 1 . . . . 33 ALA H . 27023 1
128 . 1 1 42 42 ALA C C 13 174.68 . . 1 . . . . 33 ALA C . 27023 1
129 . 1 1 42 42 ALA CA C 13 53.49 . . 1 . . . . 33 ALA CA . 27023 1
130 . 1 1 42 42 ALA CB C 13 19.1 . . 1 . . . . 33 ALA CB . 27023 1
131 . 1 1 42 42 ALA N N 15 124.58 . . 1 . . . . 33 ALA N . 27023 1
132 . 1 1 43 43 THR H H 1 7.79 . . 1 . . . . 34 THR H . 27023 1
133 . 1 1 43 43 THR C C 13 177.83 . . 1 . . . . 34 THR C . 27023 1
134 . 1 1 43 43 THR CA C 13 61.9 . . 1 . . . . 34 THR CA . 27023 1
135 . 1 1 43 43 THR CB C 13 70.72 . . 1 . . . . 34 THR CB . 27023 1
136 . 1 1 43 43 THR N N 15 110.31 . . 1 . . . . 34 THR N . 27023 1
137 . 1 1 44 44 ALA H H 1 8.52 . . 1 . . . . 35 ALA H . 27023 1
138 . 1 1 44 44 ALA C C 13 173.01 . . 1 . . . . 35 ALA C . 27023 1
139 . 1 1 44 44 ALA CA C 13 54.5 . . 1 . . . . 35 ALA CA . 27023 1
140 . 1 1 44 44 ALA CB C 13 17.99 . . 1 . . . . 35 ALA CB . 27023 1
141 . 1 1 44 44 ALA N N 15 125.54 . . 1 . . . . 35 ALA N . 27023 1
142 . 1 1 45 45 ALA H H 1 8.36 . . 1 . . . . 36 ALA H . 27023 1
143 . 1 1 45 45 ALA C C 13 172.96 . . 1 . . . . 36 ALA C . 27023 1
144 . 1 1 45 45 ALA CA C 13 54.56 . . 1 . . . . 36 ALA CA . 27023 1
145 . 1 1 45 45 ALA CB C 13 18.08 . . 1 . . . . 36 ALA CB . 27023 1
146 . 1 1 45 45 ALA N N 15 122.12 . . 1 . . . . 36 ALA N . 27023 1
147 . 1 1 46 46 ALA H H 1 8.1 . . 1 . . . . 37 ALA H . 27023 1
148 . 1 1 46 46 ALA C C 13 172.89 . . 1 . . . . 37 ALA C . 27023 1
149 . 1 1 46 46 ALA CA C 13 54.46 . . 1 . . . . 37 ALA CA . 27023 1
150 . 1 1 46 46 ALA CB C 13 18.11 . . 1 . . . . 37 ALA CB . 27023 1
151 . 1 1 46 46 ALA N N 15 122.71 . . 1 . . . . 37 ALA N . 27023 1
152 . 1 1 47 47 ALA H H 1 7.97 . . 1 . . . . 38 ALA H . 27023 1
153 . 1 1 47 47 ALA C C 13 172.93 . . 1 . . . . 38 ALA C . 27023 1
154 . 1 1 47 47 ALA CA C 13 54.51 . . 1 . . . . 38 ALA CA . 27023 1
155 . 1 1 47 47 ALA CB C 13 17.98 . . 1 . . . . 38 ALA CB . 27023 1
156 . 1 1 47 47 ALA N N 15 122.7 . . 1 . . . . 38 ALA N . 27023 1
157 . 1 1 48 48 ALA H H 1 8.15 . . 1 . . . . 39 ALA H . 27023 1
158 . 1 1 48 48 ALA C C 13 172.73 . . 1 . . . . 39 ALA C . 27023 1
159 . 1 1 48 48 ALA CA C 13 54.58 . . 1 . . . . 39 ALA CA . 27023 1
160 . 1 1 48 48 ALA CB C 13 17.79 . . 1 . . . . 39 ALA CB . 27023 1
161 . 1 1 48 48 ALA N N 15 122.34 . . 1 . . . . 39 ALA N . 27023 1
162 . 1 1 49 49 ALA H H 1 8.08 . . 1 . . . . 40 ALA H . 27023 1
163 . 1 1 49 49 ALA C C 13 172.76 . . 1 . . . . 40 ALA C . 27023 1
164 . 1 1 49 49 ALA CA C 13 54.62 . . 1 . . . . 40 ALA CA . 27023 1
165 . 1 1 49 49 ALA CB C 13 17.95 . . 1 . . . . 40 ALA CB . 27023 1
166 . 1 1 49 49 ALA N N 15 122.5 . . 1 . . . . 40 ALA N . 27023 1
167 . 1 1 50 50 ALA H H 1 7.96 . . 1 . . . . 41 ALA H . 27023 1
168 . 1 1 50 50 ALA C C 13 172.8 . . 1 . . . . 41 ALA C . 27023 1
169 . 1 1 50 50 ALA CA C 13 54.57 . . 1 . . . . 41 ALA CA . 27023 1
170 . 1 1 50 50 ALA CB C 13 18.11 . . 1 . . . . 41 ALA CB . 27023 1
171 . 1 1 50 50 ALA N N 15 122.37 . . 1 . . . . 41 ALA N . 27023 1
172 . 1 1 51 51 ALA H H 1 8.02 . . 1 . . . . 42 ALA H . 27023 1
173 . 1 1 51 51 ALA C C 13 172.85 . . 1 . . . . 42 ALA C . 27023 1
174 . 1 1 51 51 ALA CA C 13 54.54 . . 1 . . . . 42 ALA CA . 27023 1
175 . 1 1 51 51 ALA CB C 13 17.9 . . 1 . . . . 42 ALA CB . 27023 1
176 . 1 1 51 51 ALA N N 15 122.37 . . 1 . . . . 42 ALA N . 27023 1
177 . 1 1 52 52 ALA H H 1 8.07 . . 1 . . . . 43 ALA H . 27023 1
178 . 1 1 52 52 ALA C C 13 172.94 . . 1 . . . . 43 ALA C . 27023 1
179 . 1 1 52 52 ALA CA C 13 54.5 . . 1 . . . . 43 ALA CA . 27023 1
180 . 1 1 52 52 ALA CB C 13 17.74 . . 1 . . . . 43 ALA CB . 27023 1
181 . 1 1 52 52 ALA N N 15 122.17 . . 1 . . . . 43 ALA N . 27023 1
182 . 1 1 53 53 ALA H H 1 8.02 . . 1 . . . . 44 ALA H . 27023 1
183 . 1 1 53 53 ALA C C 13 173.28 . . 1 . . . . 44 ALA C . 27023 1
184 . 1 1 53 53 ALA CA C 13 54.42 . . 1 . . . . 44 ALA CA . 27023 1
185 . 1 1 53 53 ALA CB C 13 17.98 . . 1 . . . . 44 ALA CB . 27023 1
186 . 1 1 53 53 ALA N N 15 122.2 . . 1 . . . . 44 ALA N . 27023 1
187 . 1 1 54 54 ALA H H 1 7.97 . . 1 . . . . 45 ALA H . 27023 1
188 . 1 1 54 54 ALA C C 13 173.29 . . 1 . . . . 45 ALA C . 27023 1
189 . 1 1 54 54 ALA CA C 13 54.28 . . 1 . . . . 45 ALA CA . 27023 1
190 . 1 1 54 54 ALA CB C 13 18.08 . . 1 . . . . 45 ALA CB . 27023 1
191 . 1 1 54 54 ALA N N 15 121.58 . . 1 . . . . 45 ALA N . 27023 1
192 . 1 1 55 55 ALA H H 1 7.97 . . 1 . . . . 46 ALA H . 27023 1
193 . 1 1 55 55 ALA C C 13 173.62 . . 1 . . . . 46 ALA C . 27023 1
194 . 1 1 55 55 ALA CA C 13 54.08 . . 1 . . . . 46 ALA CA . 27023 1
195 . 1 1 55 55 ALA CB C 13 18.2 . . 1 . . . . 46 ALA CB . 27023 1
196 . 1 1 55 55 ALA N N 15 121.62 . . 1 . . . . 46 ALA N . 27023 1
197 . 1 1 56 56 ALA H H 1 7.92 . . 1 . . . . 47 ALA H . 27023 1
198 . 1 1 56 56 ALA C C 13 173.7 . . 1 . . . . 47 ALA C . 27023 1
199 . 1 1 56 56 ALA CA C 13 54.05 . . 1 . . . . 47 ALA CA . 27023 1
200 . 1 1 56 56 ALA CB C 13 18.05 . . 1 . . . . 47 ALA CB . 27023 1
201 . 1 1 56 56 ALA N N 15 121.68 . . 1 . . . . 47 ALA N . 27023 1
202 . 1 1 57 57 GLN H H 1 8.02 . . 1 . . . . 48 GLN H . 27023 1
203 . 1 1 57 57 GLN C C 13 175.52 . . 1 . . . . 48 GLN C . 27023 1
204 . 1 1 57 57 GLN CA C 13 57.57 . . 1 . . . . 48 GLN CA . 27023 1
205 . 1 1 57 57 GLN CB C 13 28.78 . . 1 . . . . 48 GLN CB . 27023 1
206 . 1 1 57 57 GLN N N 15 118.61 . . 1 . . . . 48 GLN N . 27023 1
207 . 1 1 58 58 SER H H 1 8.19 . . 1 . . . . 49 SER H . 27023 1
208 . 1 1 58 58 SER C C 13 177.41 . . 1 . . . . 49 SER C . 27023 1
209 . 1 1 58 58 SER CA C 13 60.06 . . 1 . . . . 49 SER CA . 27023 1
210 . 1 1 58 58 SER CB C 13 63.23 . . 1 . . . . 49 SER CB . 27023 1
211 . 1 1 58 58 SER N N 15 115.8 . . 1 . . . . 49 SER N . 27023 1
212 . 1 1 59 59 ALA H H 1 8.13 . . 1 . . . . 50 ALA H . 27023 1
213 . 1 1 59 59 ALA C C 13 173.97 . . 1 . . . . 50 ALA C . 27023 1
214 . 1 1 59 59 ALA CA C 13 54.08 . . 1 . . . . 50 ALA CA . 27023 1
215 . 1 1 59 59 ALA CB C 13 18.28 . . 1 . . . . 50 ALA CB . 27023 1
216 . 1 1 59 59 ALA N N 15 124.41 . . 1 . . . . 50 ALA N . 27023 1
217 . 1 1 60 60 GLN H H 1 8.07 . . 1 . . . . 51 GLN H . 27023 1
218 . 1 1 60 60 GLN C C 13 175.78 . . 1 . . . . 51 GLN C . 27023 1
219 . 1 1 60 60 GLN CA C 13 57.44 . . 1 . . . . 51 GLN CA . 27023 1
220 . 1 1 60 60 GLN CB C 13 28.78 . . 1 . . . . 51 GLN CB . 27023 1
221 . 1 1 60 60 GLN N N 15 118.39 . . 1 . . . . 51 GLN N . 27023 1
222 . 1 1 61 61 GLN H H 1 8.18 . . 1 . . . . 52 GLN H . 27023 1
223 . 1 1 61 61 GLN C C 13 175.84 . . 1 . . . . 52 GLN C . 27023 1
224 . 1 1 61 61 GLN CA C 13 57.34 . . 1 . . . . 52 GLN CA . 27023 1
225 . 1 1 61 61 GLN CB C 13 28.82 . . 1 . . . . 52 GLN CB . 27023 1
226 . 1 1 61 61 GLN N N 15 120.12 . . 1 . . . . 52 GLN N . 27023 1
227 . 1 1 62 62 GLN H H 1 8.26 . . 1 . . . . 53 GLN H . 27023 1
228 . 1 1 62 62 GLN C C 13 176.03 . . 1 . . . . 53 GLN C . 27023 1
229 . 1 1 62 62 GLN CA C 13 57.18 . . 1 . . . . 53 GLN CA . 27023 1
230 . 1 1 62 62 GLN CB C 13 28.87 . . 1 . . . . 53 GLN CB . 27023 1
231 . 1 1 62 62 GLN N N 15 120.05 . . 1 . . . . 53 GLN N . 27023 1
232 . 1 1 63 63 GLN H H 1 8.22 . . 1 . . . . 54 GLN H . 27023 1
233 . 1 1 63 63 GLN C C 13 176.12 . . 1 . . . . 54 GLN C . 27023 1
234 . 1 1 63 63 GLN CA C 13 57.07 . . 1 . . . . 54 GLN CA . 27023 1
235 . 1 1 63 63 GLN CB C 13 28.9 . . 1 . . . . 54 GLN CB . 27023 1
236 . 1 1 63 63 GLN N N 15 120.28 . . 1 . . . . 54 GLN N . 27023 1
237 . 1 1 64 64 GLN H H 1 8.29 . . 1 . . . . 55 GLN H . 27023 1
238 . 1 1 64 64 GLN C C 13 176.22 . . 1 . . . . 55 GLN C . 27023 1
239 . 1 1 64 64 GLN CA C 13 56.89 . . 1 . . . . 55 GLN CA . 27023 1
240 . 1 1 64 64 GLN CB C 13 28.92 . . 1 . . . . 55 GLN CB . 27023 1
241 . 1 1 64 64 GLN N N 15 120.34 . . 1 . . . . 55 GLN N . 27023 1
242 . 1 1 65 65 GLN H H 1 8.3 . . 1 . . . . 56 GLN H . 27023 1
243 . 1 1 65 65 GLN C C 13 176.36 . . 1 . . . . 56 GLN C . 27023 1
244 . 1 1 65 65 GLN CA C 13 56.78 . . 1 . . . . 56 GLN CA . 27023 1
245 . 1 1 65 65 GLN CB C 13 28.95 . . 1 . . . . 56 GLN CB . 27023 1
246 . 1 1 65 65 GLN N N 15 120.44 . . 1 . . . . 56 GLN N . 27023 1
247 . 1 1 66 66 GLN H H 1 8.31 . . 1 . . . . 57 GLN H . 27023 1
248 . 1 1 66 66 GLN C C 13 176.49 . . 1 . . . . 57 GLN C . 27023 1
249 . 1 1 66 66 GLN CA C 13 56.68 . . 1 . . . . 57 GLN CA . 27023 1
250 . 1 1 66 66 GLN CB C 13 28.97 . . 1 . . . . 57 GLN CB . 27023 1
251 . 1 1 66 66 GLN N N 15 120.53 . . 1 . . . . 57 GLN N . 27023 1
252 . 1 1 67 67 GLN H H 1 8.33 . . 1 . . . . 58 GLN H . 27023 1
253 . 1 1 67 67 GLN C C 13 176.63 . . 1 . . . . 58 GLN C . 27023 1
254 . 1 1 67 67 GLN CA C 13 56.57 . . 1 . . . . 58 GLN CA . 27023 1
255 . 1 1 67 67 GLN CB C 13 29.01 . . 1 . . . . 58 GLN CB . 27023 1
256 . 1 1 67 67 GLN N N 15 120.64 . . 1 . . . . 58 GLN N . 27023 1
257 . 1 1 68 68 GLN H H 1 8.35 . . 1 . . . . 59 GLN H . 27023 1
258 . 1 1 68 68 GLN C C 13 176.79 . . 1 . . . . 59 GLN C . 27023 1
259 . 1 1 68 68 GLN CA C 13 56.37 . . 1 . . . . 59 GLN CA . 27023 1
260 . 1 1 68 68 GLN CB C 13 29.11 . . 1 . . . . 59 GLN CB . 27023 1
261 . 1 1 68 68 GLN N N 15 120.78 . . 1 . . . . 59 GLN N . 27023 1
262 . 1 1 69 69 GLN H H 1 8.37 . . 1 . . . . 60 GLN H . 27023 1
263 . 1 1 69 69 GLN C C 13 177.03 . . 1 . . . . 60 GLN C . 27023 1
264 . 1 1 69 69 GLN CA C 13 56.14 . . 1 . . . . 60 GLN CA . 27023 1
265 . 1 1 69 69 GLN CB C 13 29.24 . . 1 . . . . 60 GLN CB . 27023 1
266 . 1 1 69 69 GLN N N 15 121 . . 1 . . . . 60 GLN N . 27023 1
267 . 1 1 70 70 GLN H H 1 8.39 . . 1 . . . . 61 GLN H . 27023 1
268 . 1 1 70 70 GLN C C 13 177.29 . . 1 . . . . 61 GLN C . 27023 1
269 . 1 1 70 70 GLN CA C 13 55.87 . . 1 . . . . 61 GLN CA . 27023 1
270 . 1 1 70 70 GLN CB C 13 29.35 . . 1 . . . . 61 GLN CB . 27023 1
271 . 1 1 70 70 GLN N N 15 121.25 . . 1 . . . . 61 GLN N . 27023 1
272 . 1 1 71 71 GLN H H 1 8.39 . . 1 . . . . 62 GLN H . 27023 1
273 . 1 1 71 71 GLN C C 13 177.86 . . 1 . . . . 62 GLN C . 27023 1
274 . 1 1 71 71 GLN CA C 13 55.5 . . 1 . . . . 62 GLN CA . 27023 1
275 . 1 1 71 71 GLN CB C 13 29.65 . . 1 . . . . 62 GLN CB . 27023 1
276 . 1 1 71 71 GLN N N 15 121.52 . . 1 . . . . 62 GLN N . 27023 1
277 . 1 1 72 72 ALA H H 1 8.41 . . 1 . . . . 63 ALA H . 27023 1
278 . 1 1 72 72 ALA C C 13 177.72 . . 1 . . . . 63 ALA C . 27023 1
279 . 1 1 72 72 ALA CA C 13 50.67 . . 1 . . . . 63 ALA CA . 27023 1
280 . 1 1 72 72 ALA CB C 13 17.87 . . 1 . . . . 63 ALA CB . 27023 1
281 . 1 1 72 72 ALA N N 15 127.07 . . 1 . . . . 63 ALA N . 27023 1
282 . 1 1 73 73 PRO C C 13 176.36 . . 1 . . . . 64 PRO C . 27023 1
283 . 1 1 73 73 PRO CA C 13 63.09 . . 1 . . . . 64 PRO CA . 27023 1
284 . 1 1 73 73 PRO CB C 13 31.92 . . 1 . . . . 64 PRO CB . 27023 1
285 . 1 1 74 74 GLN H H 1 8.53 . . 1 . . . . 65 GLN H . 27023 1
286 . 1 1 74 74 GLN C C 13 177.35 . . 1 . . . . 65 GLN C . 27023 1
287 . 1 1 74 74 GLN CA C 13 55.64 . . 1 . . . . 65 GLN CA . 27023 1
288 . 1 1 74 74 GLN CB C 13 29.48 . . 1 . . . . 65 GLN CB . 27023 1
289 . 1 1 74 74 GLN N N 15 120.61 . . 1 . . . . 65 GLN N . 27023 1
290 . 1 1 75 75 LEU H H 1 8.34 . . 1 . . . . 66 LEU H . 27023 1
291 . 1 1 75 75 LEU C C 13 176.25 . . 1 . . . . 66 LEU C . 27023 1
292 . 1 1 75 75 LEU CA C 13 54.99 . . 1 . . . . 66 LEU CA . 27023 1
293 . 1 1 75 75 LEU CB C 13 42.29 . . 1 . . . . 66 LEU CB . 27023 1
294 . 1 1 75 75 LEU N N 15 124.13 . . 1 . . . . 66 LEU N . 27023 1
295 . 1 1 76 76 ARG H H 1 8.37 . . 1 . . . . 67 ARG H . 27023 1
296 . 1 1 76 76 ARG C C 13 179.26 . . 1 . . . . 67 ARG C . 27023 1
297 . 1 1 76 76 ARG CA C 13 53.69 . . 1 . . . . 67 ARG CA . 27023 1
298 . 1 1 76 76 ARG CB C 13 30.12 . . 1 . . . . 67 ARG CB . 27023 1
299 . 1 1 76 76 ARG N N 15 123.31 . . 1 . . . . 67 ARG N . 27023 1
300 . 1 1 77 77 PRO C C 13 176.57 . . 1 . . . . 68 PRO C . 27023 1
301 . 1 1 77 77 PRO CA C 13 62.95 . . 1 . . . . 68 PRO CA . 27023 1
302 . 1 1 77 77 PRO CB C 13 32.11 . . 1 . . . . 68 PRO CB . 27023 1
303 . 1 1 78 78 ALA H H 1 8.49 . . 1 . . . . 69 ALA H . 27023 1
304 . 1 1 78 78 ALA C C 13 175.4 . . 1 . . . . 69 ALA C . 27023 1
305 . 1 1 78 78 ALA CA C 13 52.43 . . 1 . . . . 69 ALA CA . 27023 1
306 . 1 1 78 78 ALA CB C 13 19.17 . . 1 . . . . 69 ALA CB . 27023 1
307 . 1 1 78 78 ALA N N 15 124.88 . . 1 . . . . 69 ALA N . 27023 1
308 . 1 1 79 79 ALA H H 1 8.4 . . 1 . . . . 70 ALA H . 27023 1
309 . 1 1 79 79 ALA C C 13 175.68 . . 1 . . . . 70 ALA C . 27023 1
310 . 1 1 79 79 ALA CA C 13 52.51 . . 1 . . . . 70 ALA CA . 27023 1
311 . 1 1 79 79 ALA CB C 13 19.08 . . 1 . . . . 70 ALA CB . 27023 1
312 . 1 1 79 79 ALA N N 15 123.52 . . 1 . . . . 70 ALA N . 27023 1
313 . 1 1 80 80 ASP H H 1 8.26 . . 1 . . . . 71 ASP H . 27023 1
314 . 1 1 80 80 ASP C C 13 176.36 . . 1 . . . . 71 ASP C . 27023 1
315 . 1 1 80 80 ASP CA C 13 54.34 . . 1 . . . . 71 ASP CA . 27023 1
316 . 1 1 80 80 ASP CB C 13 41.06 . . 1 . . . . 71 ASP CB . 27023 1
317 . 1 1 80 80 ASP N N 15 119.25 . . 1 . . . . 71 ASP N . 27023 1
318 . 1 1 81 81 GLY H H 1 8.3 . . 1 . . . . 72 GLY H . 27023 1
319 . 1 1 81 81 GLY C C 13 179.19 . . 1 . . . . 72 GLY C . 27023 1
320 . 1 1 81 81 GLY CA C 13 45.27 . . 1 . . . . 72 GLY CA . 27023 1
321 . 1 1 81 81 GLY N N 15 108.98 . . 1 . . . . 72 GLY N . 27023 1
322 . 1 1 82 82 GLN H H 1 8.2 . . 1 . . . . 73 GLN H . 27023 1
323 . 1 1 82 82 GLN C C 13 179.03 . . 1 . . . . 73 GLN C . 27023 1
324 . 1 1 82 82 GLN CA C 13 53.61 . . 1 . . . . 73 GLN CA . 27023 1
325 . 1 1 82 82 GLN CB C 13 28.73 . . 1 . . . . 73 GLN CB . 27023 1
326 . 1 1 82 82 GLN N N 15 120.59 . . 1 . . . . 73 GLN N . 27023 1
327 . 1 1 83 83 PRO C C 13 176.04 . . 1 . . . . 74 PRO C . 27023 1
328 . 1 1 83 83 PRO CA C 13 63 . . 1 . . . . 74 PRO CA . 27023 1
329 . 1 1 83 83 PRO CB C 13 32.01 . . 1 . . . . 74 PRO CB . 27023 1
330 . 1 1 84 84 SER H H 1 8.57 . . 1 . . . . 75 SER H . 27023 1
331 . 1 1 84 84 SER C C 13 177.83 . . 1 . . . . 75 SER C . 27023 1
332 . 1 1 84 84 SER CA C 13 58.48 . . 1 . . . . 75 SER CA . 27023 1
333 . 1 1 84 84 SER CB C 13 63.85 . . 1 . . . . 75 SER CB . 27023 1
334 . 1 1 84 84 SER N N 15 116.54 . . 1 . . . . 75 SER N . 27023 1
335 . 1 1 85 85 GLY H H 1 8.54 . . 1 . . . . 76 GLY H . 27023 1
336 . 1 1 85 85 GLY C C 13 178.41 . . 1 . . . . 76 GLY C . 27023 1
337 . 1 1 85 85 GLY CA C 13 45.41 . . 1 . . . . 76 GLY CA . 27023 1
338 . 1 1 85 85 GLY N N 15 111.16 . . 1 . . . . 76 GLY N . 27023 1
339 . 1 1 86 86 GLY H H 1 8.35 . . 1 . . . . 77 GLY H . 27023 1
340 . 1 1 86 86 GLY C C 13 178.49 . . 1 . . . . 77 GLY C . 27023 1
341 . 1 1 86 86 GLY CA C 13 45.22 . . 1 . . . . 77 GLY CA . 27023 1
342 . 1 1 86 86 GLY N N 15 108.6 . . 1 . . . . 77 GLY N . 27023 1
343 . 1 1 87 87 GLY H H 1 8.35 . . 1 . . . . 78 GLY H . 27023 1
344 . 1 1 87 87 GLY C C 13 179.21 . . 1 . . . . 78 GLY C . 27023 1
345 . 1 1 87 87 GLY CA C 13 45.14 . . 1 . . . . 78 GLY CA . 27023 1
346 . 1 1 87 87 GLY N N 15 108.59 . . 1 . . . . 78 GLY N . 27023 1
stop_
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