Content for NMR-STAR saveframe, assigned_chemical_shifts_1
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 53757
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Staphylococcus aureus protein A, immunoglobulin-binding B domain, L20A at pH 3.4'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_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 1H-15N HSQC' . . . 53757 1
2 '3D HNCACB' . . . 53757 1
3 '3D HN(CO)CACB' . . . 53757 1
4 '3D HNCA' . . . 53757 1
5 '3D HN(CO)CA' . . . 53757 1
6 '3D HNCO' . . . 53757 1
7 '3D HNCACO' . . . 53757 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 $software_1 . . 53757 1
2 $software_2 . . 53757 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 GLY C C 13 167.358 . . 1 . . . . . 1 G C . 53757 1
2 . 1 . 1 1 1 GLY CA C 13 40.413 . . 1 . . . . . 1 G CA . 53757 1
3 . 1 . 1 2 2 SER H H 1 8.517 . . 1 . . . . . 2 S H . 53757 1
4 . 1 . 1 2 2 SER C C 13 171.567 . . 1 . . . . . 2 S C . 53757 1
5 . 1 . 1 2 2 SER CA C 13 55.393 . . 1 . . . . . 2 S CA . 53757 1
6 . 1 . 1 2 2 SER CB C 13 61.192 . . 1 . . . . . 2 S CB . 53757 1
7 . 1 . 1 2 2 SER N N 15 115.361 . . 1 . . . . . 2 S N . 53757 1
8 . 1 . 1 3 3 HIS H H 1 8.610 . . 1 . . . . . 3 H H . 53757 1
9 . 1 . 1 3 3 HIS C C 13 171.567 . . 1 . . . . . 3 H C . 53757 1
10 . 1 . 1 3 3 HIS CA C 13 52.524 . . 1 . . . . . 3 H CA . 53757 1
11 . 1 . 1 3 3 HIS CB C 13 25.832 . . 1 . . . . . 3 H CB . 53757 1
12 . 1 . 1 3 3 HIS N N 15 120.550 . . 1 . . . . . 3 H N . 53757 1
13 . 1 . 1 4 4 MET H H 1 8.313 . . 1 . . . . . 4 M H . 53757 1
14 . 1 . 1 4 4 MET C C 13 173.112 . . 1 . . . . . 4 M C . 53757 1
15 . 1 . 1 4 4 MET CA C 13 52.740 . . 1 . . . . . 4 M CA . 53757 1
16 . 1 . 1 4 4 MET CB C 13 29.946 . . 1 . . . . . 4 M CB . 53757 1
17 . 1 . 1 4 4 MET N N 15 121.996 . . 1 . . . . . 4 M N . 53757 1
18 . 1 . 1 5 5 ALA H H 1 8.290 . . 1 . . . . . 5 A H . 53757 1
19 . 1 . 1 5 5 ALA C C 13 174.558 . . 1 . . . . . 5 A C . 53757 1
20 . 1 . 1 5 5 ALA CA C 13 49.755 . . 1 . . . . . 5 A CA . 53757 1
21 . 1 . 1 5 5 ALA CB C 13 16.176 . . 1 . . . . . 5 A CB . 53757 1
22 . 1 . 1 5 5 ALA N N 15 125.182 . . 1 . . . . . 5 A N . 53757 1
23 . 1 . 1 6 6 ASP H H 1 8.134 . . 1 . . . . . 6 D H . 53757 1
24 . 1 . 1 6 6 ASP C C 13 172.580 . . 1 . . . . . 6 D C . 53757 1
25 . 1 . 1 6 6 ASP CA C 13 50.519 . . 1 . . . . . 6 D CA . 53757 1
26 . 1 . 1 6 6 ASP CB C 13 36.374 . . 1 . . . . . 6 D CB . 53757 1
27 . 1 . 1 6 6 ASP N N 15 118.693 . . 1 . . . . . 6 D N . 53757 1
28 . 1 . 1 7 7 ASN H H 1 8.147 . . 1 . . . . . 7 N H . 53757 1
29 . 1 . 1 7 7 ASN C C 13 172.344 . . 1 . . . . . 7 N C . 53757 1
30 . 1 . 1 7 7 ASN CA C 13 50.732 . . 1 . . . . . 7 N CA . 53757 1
31 . 1 . 1 7 7 ASN CB C 13 35.795 . . 1 . . . . . 7 N CB . 53757 1
32 . 1 . 1 7 7 ASN N N 15 119.427 . . 1 . . . . . 7 N N . 53757 1
33 . 1 . 1 8 8 LYS H H 1 7.995 . . 1 . . . . . 8 K H . 53757 1
34 . 1 . 1 8 8 LYS C C 13 173.772 . . 1 . . . . . 8 K C . 53757 1
35 . 1 . 1 8 8 LYS CA C 13 53.734 . . 1 . . . . . 8 K CA . 53757 1
36 . 1 . 1 8 8 LYS CB C 13 29.565 . . 1 . . . . . 8 K CB . 53757 1
37 . 1 . 1 8 8 LYS N N 15 120.635 . . 1 . . . . . 8 K N . 53757 1
38 . 1 . 1 9 9 PHE H H 1 7.959 . . 1 . . . . . 9 F H . 53757 1
39 . 1 . 1 9 9 PHE C C 13 173.966 . . 1 . . . . . 9 F C . 53757 1
40 . 1 . 1 9 9 PHE CA C 13 53.274 . . 1 . . . . . 9 F CA . 53757 1
41 . 1 . 1 9 9 PHE CB C 13 36.773 . . 1 . . . . . 9 F CB . 53757 1
42 . 1 . 1 9 9 PHE N N 15 120.038 . . 1 . . . . . 9 F N . 53757 1
43 . 1 . 1 10 10 ASN H H 1 8.256 . . 1 . . . . . 10 N H . 53757 1
44 . 1 . 1 10 10 ASN C C 13 172.957 . . 1 . . . . . 10 N C . 53757 1
45 . 1 . 1 10 10 ASN CA C 13 49.598 . . 1 . . . . . 10 N CA . 53757 1
46 . 1 . 1 10 10 ASN CB C 13 35.252 . . 1 . . . . . 10 N CB . 53757 1
47 . 1 . 1 10 10 ASN N N 15 120.553 . . 1 . . . . . 10 N N . 53757 1
48 . 1 . 1 11 11 LYS H H 1 8.197 . . 1 . . . . . 11 K H . 53757 1
49 . 1 . 1 11 11 LYS C C 13 175.691 . . 1 . . . . . 11 K C . 53757 1
50 . 1 . 1 11 11 LYS CA C 13 56.875 . . 1 . . . . . 11 K CA . 53757 1
51 . 1 . 1 11 11 LYS CB C 13 29.272 . . 1 . . . . . 11 K CB . 53757 1
52 . 1 . 1 11 11 LYS N N 15 119.277 . . 1 . . . . . 11 K N . 53757 1
53 . 1 . 1 12 12 GLU H H 1 8.037 . . 1 . . . . . 12 E H . 53757 1
54 . 1 . 1 12 12 GLU C C 13 176.567 . . 1 . . . . . 12 E C . 53757 1
55 . 1 . 1 12 12 GLU CA C 13 56.241 . . 1 . . . . . 12 E CA . 53757 1
56 . 1 . 1 12 12 GLU CB C 13 24.722 . . 1 . . . . . 12 E CB . 53757 1
57 . 1 . 1 12 12 GLU N N 15 119.311 . . 1 . . . . . 12 E N . 53757 1
58 . 1 . 1 13 13 GLN H H 1 8.335 . . 1 . . . . . 13 Q H . 53757 1
59 . 1 . 1 13 13 GLN C C 13 174.647 . . 1 . . . . . 13 Q C . 53757 1
60 . 1 . 1 13 13 GLN CA C 13 55.847 . . 1 . . . . . 13 Q CA . 53757 1
61 . 1 . 1 13 13 GLN CB C 13 24.531 . . 1 . . . . . 13 Q CB . 53757 1
62 . 1 . 1 13 13 GLN N N 15 121.093 . . 1 . . . . . 13 Q N . 53757 1
63 . 1 . 1 14 14 GLN H H 1 8.429 . . 1 . . . . . 14 Q H . 53757 1
64 . 1 . 1 14 14 GLN C C 13 175.679 . . 1 . . . . . 14 Q C . 53757 1
65 . 1 . 1 14 14 GLN CA C 13 55.857 . . 1 . . . . . 14 Q CA . 53757 1
66 . 1 . 1 14 14 GLN CB C 13 25.503 . . 1 . . . . . 14 Q CB . 53757 1
67 . 1 . 1 14 14 GLN N N 15 118.767 . . 1 . . . . . 14 Q N . 53757 1
68 . 1 . 1 15 15 ASN H H 1 8.069 . . 1 . . . . . 15 N H . 53757 1
69 . 1 . 1 15 15 ASN C C 13 174.375 . . 1 . . . . . 15 N C . 53757 1
70 . 1 . 1 15 15 ASN CA C 13 53.165 . . 1 . . . . . 15 N CA . 53757 1
71 . 1 . 1 15 15 ASN CB C 13 35.324 . . 1 . . . . . 15 N CB . 53757 1
72 . 1 . 1 15 15 ASN N N 15 118.260 . . 1 . . . . . 15 N N . 53757 1
73 . 1 . 1 16 16 ALA H H 1 7.853 . . 1 . . . . . 16 A H . 53757 1
74 . 1 . 1 16 16 ALA C C 13 175.482 . . 1 . . . . . 16 A C . 53757 1
75 . 1 . 1 16 16 ALA CA C 13 52.556 . . 1 . . . . . 16 A CA . 53757 1
76 . 1 . 1 16 16 ALA CB C 13 15.331 . . 1 . . . . . 16 A CB . 53757 1
77 . 1 . 1 16 16 ALA N N 15 122.734 . . 1 . . . . . 16 A N . 53757 1
78 . 1 . 1 17 17 PHE H H 1 8.105 . . 1 . . . . . 17 F H . 53757 1
79 . 1 . 1 17 17 PHE C C 13 173.834 . . 1 . . . . . 17 F C . 53757 1
80 . 1 . 1 17 17 PHE CA C 13 58.139 . . 1 . . . . . 17 F CA . 53757 1
81 . 1 . 1 17 17 PHE CB C 13 35.813 . . 1 . . . . . 17 F CB . 53757 1
82 . 1 . 1 17 17 PHE N N 15 117.295 . . 1 . . . . . 17 F N . 53757 1
83 . 1 . 1 18 18 TYR H H 1 8.072 . . 1 . . . . . 18 Y H . 53757 1
84 . 1 . 1 18 18 TYR C C 13 175.903 . . 1 . . . . . 18 Y C . 53757 1
85 . 1 . 1 18 18 TYR CA C 13 59.631 . . 1 . . . . . 18 Y CA . 53757 1
86 . 1 . 1 18 18 TYR CB C 13 35.496 . . 1 . . . . . 18 Y CB . 53757 1
87 . 1 . 1 18 18 TYR N N 15 117.691 . . 1 . . . . . 18 Y N . 53757 1
88 . 1 . 1 19 19 GLU H H 1 8.258 . . 1 . . . . . 19 E H . 53757 1
89 . 1 . 1 19 19 GLU C C 13 176.353 . . 1 . . . . . 19 E C . 53757 1
90 . 1 . 1 19 19 GLU CA C 13 56.406 . . 1 . . . . . 19 E CA . 53757 1
91 . 1 . 1 19 19 GLU CB C 13 25.476 . . 1 . . . . . 19 E CB . 53757 1
92 . 1 . 1 19 19 GLU N N 15 118.314 . . 1 . . . . . 19 E N . 53757 1
93 . 1 . 1 20 20 ILE H H 1 8.011 . . 1 . . . . . 20 I H . 53757 1
94 . 1 . 1 20 20 ILE C C 13 174.810 . . 1 . . . . . 20 I C . 53757 1
95 . 1 . 1 20 20 ILE CA C 13 62.248 . . 1 . . . . . 20 I CA . 53757 1
96 . 1 . 1 20 20 ILE CB C 13 34.608 . . 1 . . . . . 20 I CB . 53757 1
97 . 1 . 1 20 20 ILE N N 15 119.339 . . 1 . . . . . 20 I N . 53757 1
98 . 1 . 1 21 21 LEU H H 1 8.054 . . 1 . . . . . 21 L H . 53757 1
99 . 1 . 1 21 21 LEU C C 13 174.800 . . 1 . . . . . 21 L C . 53757 1
100 . 1 . 1 21 21 LEU CA C 13 54.654 . . 1 . . . . . 21 L CA . 53757 1
101 . 1 . 1 21 21 LEU CB C 13 39.034 . . 1 . . . . . 21 L CB . 53757 1
102 . 1 . 1 21 21 LEU N N 15 118.085 . . 1 . . . . . 21 L N . 53757 1
103 . 1 . 1 22 22 HIS H H 1 7.249 . . 1 . . . . . 22 H H . 53757 1
104 . 1 . 1 22 22 HIS C C 13 171.128 . . 1 . . . . . 22 H C . 53757 1
105 . 1 . 1 22 22 HIS CA C 13 52.503 . . 1 . . . . . 22 H CA . 53757 1
106 . 1 . 1 22 22 HIS CB C 13 25.290 . . 1 . . . . . 22 H CB . 53757 1
107 . 1 . 1 22 22 HIS N N 15 110.686 . . 1 . . . . . 22 H N . 53757 1
108 . 1 . 1 23 23 ALA H H 1 7.096 . . 1 . . . . . 23 A H . 53757 1
109 . 1 . 1 23 23 ALA C C 13 175.090 . . 1 . . . . . 23 A C . 53757 1
110 . 1 . 1 23 23 ALA CA C 13 47.967 . . 1 . . . . . 23 A CA . 53757 1
111 . 1 . 1 23 23 ALA CB C 13 13.598 . . 1 . . . . . 23 A CB . 53757 1
112 . 1 . 1 23 23 ALA N N 15 127.353 . . 1 . . . . . 23 A N . 53757 1
113 . 1 . 1 24 24 PRO C C 13 175.226 . . 1 . . . . . 24 P C . 53757 1
114 . 1 . 1 24 24 PRO CA C 13 62.287 . . 1 . . . . . 24 P CA . 53757 1
115 . 1 . 1 24 24 PRO CB C 13 29.571 . . 1 . . . . . 24 P CB . 53757 1
116 . 1 . 1 25 25 ASN H H 1 8.654 . . 1 . . . . . 25 N H . 53757 1
117 . 1 . 1 25 25 ASN C C 13 173.303 . . 1 . . . . . 25 N C . 53757 1
118 . 1 . 1 25 25 ASN CA C 13 49.705 . . 1 . . . . . 25 N CA . 53757 1
119 . 1 . 1 25 25 ASN CB C 13 35.914 . . 1 . . . . . 25 N CB . 53757 1
120 . 1 . 1 25 25 ASN N N 15 112.684 . . 1 . . . . . 25 N N . 53757 1
121 . 1 . 1 26 26 LEU H H 1 6.389 . . 1 . . . . . 26 L H . 53757 1
122 . 1 . 1 26 26 LEU C C 13 173.483 . . 1 . . . . . 26 L C . 53757 1
123 . 1 . 1 26 26 LEU CA C 13 51.226 . . 1 . . . . . 26 L CA . 53757 1
124 . 1 . 1 26 26 LEU CB C 13 40.348 . . 1 . . . . . 26 L CB . 53757 1
125 . 1 . 1 26 26 LEU N N 15 117.645 . . 1 . . . . . 26 L N . 53757 1
126 . 1 . 1 27 27 ASN H H 1 8.438 . . 1 . . . . . 27 N H . 53757 1
127 . 1 . 1 27 27 ASN C C 13 172.835 . . 1 . . . . . 27 N C . 53757 1
128 . 1 . 1 27 27 ASN CA C 13 48.329 . . 1 . . . . . 27 N CA . 53757 1
129 . 1 . 1 27 27 ASN CB C 13 35.776 . . 1 . . . . . 27 N CB . 53757 1
130 . 1 . 1 27 27 ASN N N 15 119.347 . . 1 . . . . . 27 N N . 53757 1
131 . 1 . 1 28 28 GLU H H 1 8.461 . . 1 . . . . . 28 E H . 53757 1
132 . 1 . 1 28 28 GLU C C 13 174.884 . . 1 . . . . . 28 E C . 53757 1
133 . 1 . 1 28 28 GLU CA C 13 56.763 . . 1 . . . . . 28 E CA . 53757 1
134 . 1 . 1 28 28 GLU CB C 13 25.273 . . 1 . . . . . 28 E CB . 53757 1
135 . 1 . 1 28 28 GLU N N 15 118.069 . . 1 . . . . . 28 E N . 53757 1
136 . 1 . 1 29 29 GLU H H 1 8.051 . . 1 . . . . . 29 E H . 53757 1
137 . 1 . 1 29 29 GLU C C 13 177.410 . . 1 . . . . . 29 E C . 53757 1
138 . 1 . 1 29 29 GLU CA C 13 56.598 . . 1 . . . . . 29 E CA . 53757 1
139 . 1 . 1 29 29 GLU CB C 13 24.510 . . 1 . . . . . 29 E CB . 53757 1
140 . 1 . 1 29 29 GLU N N 15 119.337 . . 1 . . . . . 29 E N . 53757 1
141 . 1 . 1 30 30 GLN H H 1 8.494 . . 1 . . . . . 30 Q H . 53757 1
142 . 1 . 1 30 30 GLN C C 13 176.154 . . 1 . . . . . 30 Q C . 53757 1
143 . 1 . 1 30 30 GLN CA C 13 55.094 . . 1 . . . . . 30 Q CA . 53757 1
144 . 1 . 1 30 30 GLN CB C 13 25.858 . . 1 . . . . . 30 Q CB . 53757 1
145 . 1 . 1 30 30 GLN N N 15 120.339 . . 1 . . . . . 30 Q N . 53757 1
146 . 1 . 1 31 31 ARG H H 1 8.523 . . 1 . . . . . 31 R H . 53757 1
147 . 1 . 1 31 31 ARG C C 13 174.791 . . 1 . . . . . 31 R C . 53757 1
148 . 1 . 1 31 31 ARG CA C 13 57.885 . . 1 . . . . . 31 R CA . 53757 1
149 . 1 . 1 31 31 ARG CB C 13 27.747 . . 1 . . . . . 31 R CB . 53757 1
150 . 1 . 1 31 31 ARG N N 15 119.271 . . 1 . . . . . 31 R N . 53757 1
151 . 1 . 1 32 32 ASN H H 1 8.424 . . 1 . . . . . 32 N H . 53757 1
152 . 1 . 1 32 32 ASN C C 13 175.706 . . 1 . . . . . 32 N C . 53757 1
153 . 1 . 1 32 32 ASN CA C 13 53.083 . . 1 . . . . . 32 N CA . 53757 1
154 . 1 . 1 32 32 ASN CB C 13 34.766 . . 1 . . . . . 32 N CB . 53757 1
155 . 1 . 1 32 32 ASN N N 15 115.635 . . 1 . . . . . 32 N N . 53757 1
156 . 1 . 1 33 33 GLY H H 1 7.913 . . 1 . . . . . 33 G H . 53757 1
157 . 1 . 1 33 33 GLY C C 13 173.876 . . 1 . . . . . 33 G C . 53757 1
158 . 1 . 1 33 33 GLY CA C 13 44.252 . . 1 . . . . . 33 G CA . 53757 1
159 . 1 . 1 33 33 GLY N N 15 108.165 . . 1 . . . . . 33 G N . 53757 1
160 . 1 . 1 34 34 PHE H H 1 7.772 . . 1 . . . . . 34 F H . 53757 1
161 . 1 . 1 34 34 PHE C C 13 175.331 . . 1 . . . . . 34 F C . 53757 1
162 . 1 . 1 34 34 PHE CA C 13 58.763 . . 1 . . . . . 34 F CA . 53757 1
163 . 1 . 1 34 34 PHE CB C 13 36.901 . . 1 . . . . . 34 F CB . 53757 1
164 . 1 . 1 34 34 PHE N N 15 120.538 . . 1 . . . . . 34 F N . 53757 1
165 . 1 . 1 35 35 ILE H H 1 8.212 . . 1 . . . . . 35 I H . 53757 1
166 . 1 . 1 35 35 ILE C C 13 174.877 . . 1 . . . . . 35 I C . 53757 1
167 . 1 . 1 35 35 ILE CA C 13 61.963 . . 1 . . . . . 35 I CA . 53757 1
168 . 1 . 1 35 35 ILE CB C 13 33.949 . . 1 . . . . . 35 I CB . 53757 1
169 . 1 . 1 35 35 ILE N N 15 119.131 . . 1 . . . . . 35 I N . 53757 1
170 . 1 . 1 36 36 GLN H H 1 8.126 . . 1 . . . . . 36 Q H . 53757 1
171 . 1 . 1 36 36 GLN C C 13 175.802 . . 1 . . . . . 36 Q C . 53757 1
172 . 1 . 1 36 36 GLN CA C 13 56.020 . . 1 . . . . . 36 Q CA . 53757 1
173 . 1 . 1 36 36 GLN CB C 13 25.266 . . 1 . . . . . 36 Q CB . 53757 1
174 . 1 . 1 36 36 GLN N N 15 118.876 . . 1 . . . . . 36 Q N . 53757 1
175 . 1 . 1 37 37 SER H H 1 7.915 . . 1 . . . . . 37 S H . 53757 1
176 . 1 . 1 37 37 SER C C 13 172.987 . . 1 . . . . . 37 S C . 53757 1
177 . 1 . 1 37 37 SER CA C 13 59.722 . . 1 . . . . . 37 S CA . 53757 1
178 . 1 . 1 37 37 SER CB C 13 60.633 . . 1 . . . . . 37 S CB . 53757 1
179 . 1 . 1 37 37 SER N N 15 115.470 . . 1 . . . . . 37 S N . 53757 1
180 . 1 . 1 38 38 LEU H H 1 8.146 . . 1 . . . . . 38 L H . 53757 1
181 . 1 . 1 38 38 LEU C C 13 175.157 . . 1 . . . . . 38 L C . 53757 1
182 . 1 . 1 38 38 LEU CA C 13 54.993 . . 1 . . . . . 38 L CA . 53757 1
183 . 1 . 1 38 38 LEU CB C 13 39.763 . . 1 . . . . . 38 L CB . 53757 1
184 . 1 . 1 38 38 LEU N N 15 124.034 . . 1 . . . . . 38 L N . 53757 1
185 . 1 . 1 39 39 LYS H H 1 7.921 . . 1 . . . . . 39 K H . 53757 1
186 . 1 . 1 39 39 LYS C C 13 176.291 . . 1 . . . . . 39 K C . 53757 1
187 . 1 . 1 39 39 LYS CA C 13 56.644 . . 1 . . . . . 39 K CA . 53757 1
188 . 1 . 1 39 39 LYS CB C 13 29.777 . . 1 . . . . . 39 K CB . 53757 1
189 . 1 . 1 39 39 LYS N N 15 115.840 . . 1 . . . . . 39 K N . 53757 1
190 . 1 . 1 40 40 ASP H H 1 7.914 . . 1 . . . . . 40 D H . 53757 1
191 . 1 . 1 40 40 ASP C C 13 173.456 . . 1 . . . . . 40 D C . 53757 1
192 . 1 . 1 40 40 ASP CA C 13 52.352 . . 1 . . . . . 40 D CA . 53757 1
193 . 1 . 1 40 40 ASP CB C 13 36.069 . . 1 . . . . . 40 D CB . 53757 1
194 . 1 . 1 40 40 ASP N N 15 116.065 . . 1 . . . . . 40 D N . 53757 1
195 . 1 . 1 41 41 ASP H H 1 7.701 . . 1 . . . . . 41 D H . 53757 1
196 . 1 . 1 41 41 ASP C C 13 169.288 . . 1 . . . . . 41 D C . 53757 1
197 . 1 . 1 41 41 ASP CA C 13 48.331 . . 1 . . . . . 41 D CA . 53757 1
198 . 1 . 1 41 41 ASP CB C 13 35.827 . . 1 . . . . . 41 D CB . 53757 1
199 . 1 . 1 41 41 ASP N N 15 115.137 . . 1 . . . . . 41 D N . 53757 1
200 . 1 . 1 42 42 PRO C C 13 175.924 . . 1 . . . . . 42 P C . 53757 1
201 . 1 . 1 42 42 PRO CA C 13 62.297 . . 1 . . . . . 42 P CA . 53757 1
202 . 1 . 1 42 42 PRO CB C 13 28.772 . . 1 . . . . . 42 P CB . 53757 1
203 . 1 . 1 43 43 SER H H 1 8.069 . . 1 . . . . . 43 S H . 53757 1
204 . 1 . 1 43 43 SER C C 13 173.362 . . 1 . . . . . 43 S C . 53757 1
205 . 1 . 1 43 43 SER CA C 13 58.103 . . 1 . . . . . 43 S CA . 53757 1
206 . 1 . 1 43 43 SER CB C 13 59.842 . . 1 . . . . . 43 S CB . 53757 1
207 . 1 . 1 43 43 SER N N 15 112.737 . . 1 . . . . . 43 S N . 53757 1
208 . 1 . 1 44 44 GLN H H 1 7.759 . . 1 . . . . . 44 Q H . 53757 1
209 . 1 . 1 44 44 GLN C C 13 173.388 . . 1 . . . . . 44 Q C . 53757 1
210 . 1 . 1 44 44 GLN CA C 13 52.311 . . 1 . . . . . 44 Q CA . 53757 1
211 . 1 . 1 44 44 GLN CB C 13 25.068 . . 1 . . . . . 44 Q CB . 53757 1
212 . 1 . 1 44 44 GLN N N 15 120.218 . . 1 . . . . . 44 Q N . 53757 1
213 . 1 . 1 45 45 SER H H 1 7.602 . . 1 . . . . . 45 S H . 53757 1
214 . 1 . 1 45 45 SER C C 13 171.573 . . 1 . . . . . 45 S C . 53757 1
215 . 1 . 1 45 45 SER CA C 13 60.763 . . 1 . . . . . 45 S CA . 53757 1
216 . 1 . 1 45 45 SER CB C 13 59.933 . . 1 . . . . . 45 S CB . 53757 1
217 . 1 . 1 45 45 SER N N 15 115.421 . . 1 . . . . . 45 S N . 53757 1
218 . 1 . 1 46 46 ALA H H 1 8.409 . . 1 . . . . . 46 A H . 53757 1
219 . 1 . 1 46 46 ALA C C 13 178.169 . . 1 . . . . . 46 A C . 53757 1
220 . 1 . 1 46 46 ALA CA C 13 52.786 . . 1 . . . . . 46 A CA . 53757 1
221 . 1 . 1 46 46 ALA CB C 13 14.851 . . 1 . . . . . 46 A CB . 53757 1
222 . 1 . 1 46 46 ALA N N 15 122.894 . . 1 . . . . . 46 A N . 53757 1
223 . 1 . 1 47 47 ASN H H 1 7.781 . . 1 . . . . . 47 N H . 53757 1
224 . 1 . 1 47 47 ASN C C 13 175.093 . . 1 . . . . . 47 N C . 53757 1
225 . 1 . 1 47 47 ASN CA C 13 52.963 . . 1 . . . . . 47 N CA . 53757 1
226 . 1 . 1 47 47 ASN CB C 13 35.207 . . 1 . . . . . 47 N CB . 53757 1
227 . 1 . 1 47 47 ASN N N 15 118.482 . . 1 . . . . . 47 N N . 53757 1
228 . 1 . 1 48 48 LEU H H 1 8.321 . . 1 . . . . . 48 L H . 53757 1
229 . 1 . 1 48 48 LEU C C 13 175.647 . . 1 . . . . . 48 L C . 53757 1
230 . 1 . 1 48 48 LEU CA C 13 55.032 . . 1 . . . . . 48 L CA . 53757 1
231 . 1 . 1 48 48 LEU CB C 13 39.439 . . 1 . . . . . 48 L CB . 53757 1
232 . 1 . 1 48 48 LEU N N 15 121.358 . . 1 . . . . . 48 L N . 53757 1
233 . 1 . 1 49 49 LEU H H 1 8.357 . . 1 . . . . . 49 L H . 53757 1
234 . 1 . 1 49 49 LEU C C 13 175.632 . . 1 . . . . . 49 L C . 53757 1
235 . 1 . 1 49 49 LEU CA C 13 55.161 . . 1 . . . . . 49 L CA . 53757 1
236 . 1 . 1 49 49 LEU CB C 13 38.924 . . 1 . . . . . 49 L CB . 53757 1
237 . 1 . 1 49 49 LEU N N 15 118.790 . . 1 . . . . . 49 L N . 53757 1
238 . 1 . 1 50 50 ALA H H 1 7.453 . . 1 . . . . . 50 A H . 53757 1
239 . 1 . 1 50 50 ALA C C 13 178.365 . . 1 . . . . . 50 A C . 53757 1
240 . 1 . 1 50 50 ALA CA C 13 52.396 . . 1 . . . . . 50 A CA . 53757 1
241 . 1 . 1 50 50 ALA CB C 13 14.881 . . 1 . . . . . 50 A CB . 53757 1
242 . 1 . 1 50 50 ALA N N 15 120.119 . . 1 . . . . . 50 A N . 53757 1
243 . 1 . 1 51 51 GLU H H 1 7.894 . . 1 . . . . . 51 E H . 53757 1
244 . 1 . 1 51 51 GLU C C 13 175.999 . . 1 . . . . . 51 E C . 53757 1
245 . 1 . 1 51 51 GLU CA C 13 55.804 . . 1 . . . . . 51 E CA . 53757 1
246 . 1 . 1 51 51 GLU CB C 13 25.591 . . 1 . . . . . 51 E CB . 53757 1
247 . 1 . 1 51 51 GLU N N 15 118.855 . . 1 . . . . . 51 E N . 53757 1
248 . 1 . 1 52 52 ALA H H 1 8.187 . . 1 . . . . . 52 A H . 53757 1
249 . 1 . 1 52 52 ALA C C 13 176.497 . . 1 . . . . . 52 A C . 53757 1
250 . 1 . 1 52 52 ALA CA C 13 52.387 . . 1 . . . . . 52 A CA . 53757 1
251 . 1 . 1 52 52 ALA CB C 13 14.670 . . 1 . . . . . 52 A CB . 53757 1
252 . 1 . 1 52 52 ALA N N 15 123.246 . . 1 . . . . . 52 A N . 53757 1
253 . 1 . 1 53 53 LYS H H 1 8.208 . . 1 . . . . . 53 K H . 53757 1
254 . 1 . 1 53 53 LYS C C 13 175.946 . . 1 . . . . . 53 K C . 53757 1
255 . 1 . 1 53 53 LYS CA C 13 56.884 . . 1 . . . . . 53 K CA . 53757 1
256 . 1 . 1 53 53 LYS CB C 13 29.358 . . 1 . . . . . 53 K CB . 53757 1
257 . 1 . 1 53 53 LYS N N 15 118.133 . . 1 . . . . . 53 K N . 53757 1
258 . 1 . 1 54 54 LYS H H 1 7.488 . . 1 . . . . . 54 K H . 53757 1
259 . 1 . 1 54 54 LYS C C 13 176.928 . . 1 . . . . . 54 K C . 53757 1
260 . 1 . 1 54 54 LYS CA C 13 56.698 . . 1 . . . . . 54 K CA . 53757 1
261 . 1 . 1 54 54 LYS CB C 13 29.615 . . 1 . . . . . 54 K CB . 53757 1
262 . 1 . 1 54 54 LYS N N 15 119.107 . . 1 . . . . . 54 K N . 53757 1
263 . 1 . 1 55 55 LEU H H 1 7.703 . . 1 . . . . . 55 L H . 53757 1
264 . 1 . 1 55 55 LEU C C 13 175.151 . . 1 . . . . . 55 L C . 53757 1
265 . 1 . 1 55 55 LEU CA C 13 54.734 . . 1 . . . . . 55 L CA . 53757 1
266 . 1 . 1 55 55 LEU CB C 13 39.490 . . 1 . . . . . 55 L CB . 53757 1
267 . 1 . 1 55 55 LEU N N 15 121.263 . . 1 . . . . . 55 L N . 53757 1
268 . 1 . 1 56 56 ASN H H 1 8.490 . . 1 . . . . . 56 N H . 53757 1
269 . 1 . 1 56 56 ASN C C 13 174.858 . . 1 . . . . . 56 N C . 53757 1
270 . 1 . 1 56 56 ASN CA C 13 54.894 . . 1 . . . . . 56 N CA . 53757 1
271 . 1 . 1 56 56 ASN CB C 13 38.033 . . 1 . . . . . 56 N CB . 53757 1
272 . 1 . 1 56 56 ASN N N 15 117.067 . . 1 . . . . . 56 N N . 53757 1
273 . 1 . 1 57 57 ASP H H 1 8.114 . . 1 . . . . . 57 D H . 53757 1
274 . 1 . 1 57 57 ASP C C 13 175.469 . . 1 . . . . . 57 D C . 53757 1
275 . 1 . 1 57 57 ASP CA C 13 53.274 . . 1 . . . . . 57 D CA . 53757 1
276 . 1 . 1 57 57 ASP CB C 13 35.775 . . 1 . . . . . 57 D CB . 53757 1
277 . 1 . 1 57 57 ASP N N 15 117.601 . . 1 . . . . . 57 D N . 53757 1
278 . 1 . 1 58 58 ALA H H 1 7.932 . . 1 . . . . . 58 A H . 53757 1
279 . 1 . 1 58 58 ALA C C 13 176.443 . . 1 . . . . . 58 A C . 53757 1
280 . 1 . 1 58 58 ALA CA C 13 51.418 . . 1 . . . . . 58 A CA . 53757 1
281 . 1 . 1 58 58 ALA CB C 13 15.784 . . 1 . . . . . 58 A CB . 53757 1
282 . 1 . 1 58 58 ALA N N 15 123.000 . . 1 . . . . . 58 A N . 53757 1
283 . 1 . 1 59 59 GLN H H 1 7.378 . . 1 . . . . . 59 Q H . 53757 1
284 . 1 . 1 59 59 GLN C C 13 171.340 . . 1 . . . . . 59 Q C . 53757 1
285 . 1 . 1 59 59 GLN CA C 13 52.229 . . 1 . . . . . 59 Q CA . 53757 1
286 . 1 . 1 59 59 GLN CB C 13 25.225 . . 1 . . . . . 59 Q CB . 53757 1
287 . 1 . 1 59 59 GLN N N 15 114.883 . . 1 . . . . . 59 Q N . 53757 1
288 . 1 . 1 60 60 ALA H H 1 6.965 . . 1 . . . . . 60 A H . 53757 1
289 . 1 . 1 60 60 ALA C C 13 172.679 . . 1 . . . . . 60 A C . 53757 1
290 . 1 . 1 60 60 ALA CA C 13 48.193 . . 1 . . . . . 60 A CA . 53757 1
291 . 1 . 1 60 60 ALA CB C 13 14.894 . . 1 . . . . . 60 A CB . 53757 1
292 . 1 . 1 60 60 ALA N N 15 124.367 . . 1 . . . . . 60 A N . 53757 1
293 . 1 . 1 61 61 PRO C C 13 173.762 . . 1 . . . . . 61 P C . 53757 1
294 . 1 . 1 61 61 PRO CA C 13 60.408 . . 1 . . . . . 61 P CA . 53757 1
295 . 1 . 1 61 61 PRO CB C 13 28.972 . . 1 . . . . . 61 P CB . 53757 1
296 . 1 . 1 62 62 LYS H H 1 8.219 . . 1 . . . . . 62 K H . 53757 1
297 . 1 . 1 62 62 LYS C C 13 177.225 . . 1 . . . . . 62 K C . 53757 1
298 . 1 . 1 62 62 LYS CA C 13 53.515 . . 1 . . . . . 62 K CA . 53757 1
299 . 1 . 1 62 62 LYS CB C 13 30.242 . . 1 . . . . . 62 K CB . 53757 1
300 . 1 . 1 62 62 LYS N N 15 124.916 . . 1 . . . . . 62 K N . 53757 1
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