Content for NMR-STAR saveframe, assigned_chemical_shifts_2
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 53757
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'Staphylococcus aureus protein A, immunoglobulin-binding B domain, L20A at pH 5.0'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 2
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2
_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
8 '2D 1H-15N HSQC' . . . 53757 2
9 '3D HNCACB' . . . 53757 2
10 '3D HN(CO)CACB' . . . 53757 2
11 '3D HNCA' . . . 53757 2
12 '3D HN(CO)CA' . . . 53757 2
13 '3D HNCO' . . . 53757 2
14 '3D HN(CA)CO' . . . 53757 2
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 2
2 $software_2 . . 53757 2
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 2 2 SER C C 13 171.635 . . 1 . . . . . 2 S C . 53757 2
2 . 1 . 1 2 2 SER CA C 13 55.542 . . 1 . . . . . 2 S CA . 53757 2
3 . 1 . 1 2 2 SER CB C 13 61.406 . . 1 . . . . . 2 S CB . 53757 2
4 . 1 . 1 3 3 HIS H H 1 8.658 . . 1 . . . . . 3 H H . 53757 2
5 . 1 . 1 3 3 HIS C C 13 171.746 . . 1 . . . . . 3 H C . 53757 2
6 . 1 . 1 3 3 HIS CA C 13 52.776 . . 1 . . . . . 3 H CA . 53757 2
7 . 1 . 1 3 3 HIS CB C 13 26.414 . . 1 . . . . . 3 H CB . 53757 2
8 . 1 . 1 3 3 HIS N N 15 120.578 . . 1 . . . . . 3 H N . 53757 2
9 . 1 . 1 4 4 MET H H 1 8.403 . . 1 . . . . . 4 M H . 53757 2
10 . 1 . 1 4 4 MET C C 13 173.095 . . 1 . . . . . 4 M C . 53757 2
11 . 1 . 1 4 4 MET CA C 13 52.871 . . 1 . . . . . 4 M CA . 53757 2
12 . 1 . 1 4 4 MET CB C 13 30.259 . . 1 . . . . . 4 M CB . 53757 2
13 . 1 . 1 4 4 MET N N 15 121.903 . . 1 . . . . . 4 M N . 53757 2
14 . 1 . 1 5 5 ALA H H 1 8.321 . . 1 . . . . . 5 A H . 53757 2
15 . 1 . 1 5 5 ALA C C 13 174.423 . . 1 . . . . . 5 A C . 53757 2
16 . 1 . 1 5 5 ALA CA C 13 49.806 . . 1 . . . . . 5 A CA . 53757 2
17 . 1 . 1 5 5 ALA CB C 13 16.419 . . 1 . . . . . 5 A CB . 53757 2
18 . 1 . 1 5 5 ALA N N 15 124.928 . . 1 . . . . . 5 A N . 53757 2
19 . 1 . 1 6 6 ASP H H 1 7.957 . . 1 . . . . . 6 D H . 53757 2
20 . 1 . 1 6 6 ASP C C 13 173.289 . . 1 . . . . . 6 D C . 53757 2
21 . 1 . 1 6 6 ASP CA C 13 51.432 . . 1 . . . . . 6 D CA . 53757 2
22 . 1 . 1 6 6 ASP CB C 13 38.563 . . 1 . . . . . 6 D CB . 53757 2
23 . 1 . 1 6 6 ASP N N 15 119.489 . . 1 . . . . . 6 D N . 53757 2
24 . 1 . 1 7 7 ASN H H 1 8.208 . . 1 . . . . . 7 N H . 53757 2
25 . 1 . 1 7 7 ASN C C 13 172.411 . . 1 . . . . . 7 N C . 53757 2
26 . 1 . 1 7 7 ASN CA C 13 50.881 . . 1 . . . . . 7 N CA . 53757 2
27 . 1 . 1 7 7 ASN CB C 13 36.073 . . 1 . . . . . 7 N CB . 53757 2
28 . 1 . 1 7 7 ASN N N 15 119.251 . . 1 . . . . . 7 N N . 53757 2
29 . 1 . 1 8 8 LYS H H 1 8.154 . . 1 . . . . . 8 K H . 53757 2
30 . 1 . 1 8 8 LYS C C 13 173.770 . . 1 . . . . . 8 K C . 53757 2
31 . 1 . 1 8 8 LYS CA C 13 53.752 . . 1 . . . . . 8 K CA . 53757 2
32 . 1 . 1 8 8 LYS CB C 13 29.721 . . 1 . . . . . 8 K CB . 53757 2
33 . 1 . 1 8 8 LYS N N 15 120.655 . . 1 . . . . . 8 K N . 53757 2
34 . 1 . 1 9 9 PHE H H 1 7.994 . . 1 . . . . . 9 F H . 53757 2
35 . 1 . 1 9 9 PHE C C 13 174.106 . . 1 . . . . . 9 F C . 53757 2
36 . 1 . 1 9 9 PHE CA C 13 52.941 . . 1 . . . . . 9 F CA . 53757 2
37 . 1 . 1 9 9 PHE CB C 13 37.041 . . 1 . . . . . 9 F CB . 53757 2
38 . 1 . 1 9 9 PHE N N 15 119.886 . . 1 . . . . . 9 F N . 53757 2
39 . 1 . 1 10 10 ASN H H 1 8.384 . . 1 . . . . . 10 N H . 53757 2
40 . 1 . 1 10 10 ASN C C 13 173.009 . . 1 . . . . . 10 N C . 53757 2
41 . 1 . 1 10 10 ASN CA C 13 49.487 . . 1 . . . . . 10 N CA . 53757 2
42 . 1 . 1 10 10 ASN CB C 13 35.455 . . 1 . . . . . 10 N CB . 53757 2
43 . 1 . 1 10 10 ASN N N 15 120.867 . . 1 . . . . . 10 N N . 53757 2
44 . 1 . 1 11 11 LYS H H 1 8.300 . . 1 . . . . . 11 K H . 53757 2
45 . 1 . 1 11 11 LYS C C 13 175.741 . . 1 . . . . . 11 K C . 53757 2
46 . 1 . 1 11 11 LYS CA C 13 57.296 . . 1 . . . . . 11 K CA . 53757 2
47 . 1 . 1 11 11 LYS CB C 13 29.511 . . 1 . . . . . 11 K CB . 53757 2
48 . 1 . 1 11 11 LYS N N 15 119.137 . . 1 . . . . . 11 K N . 53757 2
49 . 1 . 1 12 12 GLU H H 1 8.257 . . 1 . . . . . 12 E H . 53757 2
50 . 1 . 1 12 12 GLU C C 13 177.212 . . 1 . . . . . 12 E C . 53757 2
51 . 1 . 1 12 12 GLU CA C 13 57.001 . . 1 . . . . . 12 E CA . 53757 2
52 . 1 . 1 12 12 GLU CB C 13 26.128 . . 1 . . . . . 12 E CB . 53757 2
53 . 1 . 1 12 12 GLU N N 15 119.751 . . 1 . . . . . 12 E N . 53757 2
54 . 1 . 1 13 13 GLN H H 1 8.471 . . 1 . . . . . 13 Q H . 53757 2
55 . 1 . 1 13 13 GLN C C 13 174.861 . . 1 . . . . . 13 Q C . 53757 2
56 . 1 . 1 13 13 GLN CA C 13 56.007 . . 1 . . . . . 13 Q CA . 53757 2
57 . 1 . 1 13 13 GLN CB C 13 24.506 . . 1 . . . . . 13 Q CB . 53757 2
58 . 1 . 1 13 13 GLN N N 15 121.327 . . 1 . . . . . 13 Q N . 53757 2
59 . 1 . 1 14 14 GLN H H 1 8.621 . . 1 . . . . . 14 Q H . 53757 2
60 . 1 . 1 14 14 GLN C C 13 175.638 . . 1 . . . . . 14 Q C . 53757 2
61 . 1 . 1 14 14 GLN CA C 13 56.207 . . 1 . . . . . 14 Q CA . 53757 2
62 . 1 . 1 14 14 GLN CB C 13 25.793 . . 1 . . . . . 14 Q CB . 53757 2
63 . 1 . 1 14 14 GLN N N 15 119.070 . . 1 . . . . . 14 Q N . 53757 2
64 . 1 . 1 15 15 ASN H H 1 8.206 . . 1 . . . . . 15 N H . 53757 2
65 . 1 . 1 15 15 ASN C C 13 174.520 . . 1 . . . . . 15 N C . 53757 2
66 . 1 . 1 15 15 ASN CA C 13 53.608 . . 1 . . . . . 15 N CA . 53757 2
67 . 1 . 1 15 15 ASN CB C 13 35.517 . . 1 . . . . . 15 N CB . 53757 2
68 . 1 . 1 15 15 ASN N N 15 118.117 . . 1 . . . . . 15 N N . 53757 2
69 . 1 . 1 16 16 ALA H H 1 7.856 . . 1 . . . . . 16 A H . 53757 2
70 . 1 . 1 16 16 ALA C C 13 175.515 . . 1 . . . . . 16 A C . 53757 2
71 . 1 . 1 16 16 ALA CA C 13 52.666 . . 1 . . . . . 16 A CA . 53757 2
72 . 1 . 1 16 16 ALA CB C 13 15.475 . . 1 . . . . . 16 A CB . 53757 2
73 . 1 . 1 16 16 ALA N N 15 122.387 . . 1 . . . . . 16 A N . 53757 2
74 . 1 . 1 17 17 PHE H H 1 8.153 . . 1 . . . . . 17 F H . 53757 2
75 . 1 . 1 17 17 PHE C C 13 173.792 . . 1 . . . . . 17 F C . 53757 2
76 . 1 . 1 17 17 PHE CA C 13 58.350 . . 1 . . . . . 17 F CA . 53757 2
77 . 1 . 1 17 17 PHE CB C 13 36.095 . . 1 . . . . . 17 F CB . 53757 2
78 . 1 . 1 17 17 PHE N N 15 117.390 . . 1 . . . . . 17 F N . 53757 2
79 . 1 . 1 18 18 TYR H H 1 8.129 . . 1 . . . . . 18 Y H . 53757 2
80 . 1 . 1 18 18 TYR C C 13 175.869 . . 1 . . . . . 18 Y C . 53757 2
81 . 1 . 1 18 18 TYR CA C 13 59.662 . . 1 . . . . . 18 Y CA . 53757 2
82 . 1 . 1 18 18 TYR CB C 13 35.552 . . 1 . . . . . 18 Y CB . 53757 2
83 . 1 . 1 18 18 TYR N N 15 117.458 . . 1 . . . . . 18 Y N . 53757 2
84 . 1 . 1 19 19 GLU H H 1 8.363 . . 1 . . . . . 19 E H . 53757 2
85 . 1 . 1 19 19 GLU C C 13 177.084 . . 1 . . . . . 19 E C . 53757 2
86 . 1 . 1 19 19 GLU CA C 13 57.009 . . 1 . . . . . 19 E CA . 53757 2
87 . 1 . 1 19 19 GLU CB C 13 26.958 . . 1 . . . . . 19 E CB . 53757 2
88 . 1 . 1 19 19 GLU N N 15 119.150 . . 1 . . . . . 19 E N . 53757 2
89 . 1 . 1 20 20 ILE H H 1 8.123 . . 1 . . . . . 20 I H . 53757 2
90 . 1 . 1 20 20 ILE C C 13 175.077 . . 1 . . . . . 20 I C . 53757 2
91 . 1 . 1 20 20 ILE CA C 13 62.664 . . 1 . . . . . 20 I CA . 53757 2
92 . 1 . 1 20 20 ILE CB C 13 35.000 . . 1 . . . . . 20 I CB . 53757 2
93 . 1 . 1 20 20 ILE N N 15 119.552 . . 1 . . . . . 20 I N . 53757 2
94 . 1 . 1 21 21 LEU H H 1 8.181 . . 1 . . . . . 21 L H . 53757 2
95 . 1 . 1 21 21 LEU C C 13 174.852 . . 1 . . . . . 21 L C . 53757 2
96 . 1 . 1 21 21 LEU CA C 13 54.974 . . 1 . . . . . 21 L CA . 53757 2
97 . 1 . 1 21 21 LEU CB C 13 39.293 . . 1 . . . . . 21 L CB . 53757 2
98 . 1 . 1 21 21 LEU N N 15 118.645 . . 1 . . . . . 21 L N . 53757 2
99 . 1 . 1 22 22 HIS H H 1 7.385 . . 1 . . . . . 22 H H . 53757 2
100 . 1 . 1 22 22 HIS C C 13 171.361 . . 1 . . . . . 22 H C . 53757 2
101 . 1 . 1 22 22 HIS CA C 13 52.537 . . 1 . . . . . 22 H CA . 53757 2
102 . 1 . 1 22 22 HIS CB C 13 25.746 . . 1 . . . . . 22 H CB . 53757 2
103 . 1 . 1 22 22 HIS N N 15 110.835 . . 1 . . . . . 22 H N . 53757 2
104 . 1 . 1 23 23 ALA H H 1 7.173 . . 1 . . . . . 23 A H . 53757 2
105 . 1 . 1 23 23 ALA C C 13 175.299 . . 1 . . . . . 23 A C . 53757 2
106 . 1 . 1 23 23 ALA CA C 13 48.169 . . 1 . . . . . 23 A CA . 53757 2
107 . 1 . 1 23 23 ALA CB C 13 13.907 . . 1 . . . . . 23 A CB . 53757 2
108 . 1 . 1 23 23 ALA N N 15 127.089 . . 1 . . . . . 23 A N . 53757 2
109 . 1 . 1 24 24 PRO C C 13 175.417 . . 1 . . . . . 24 P C . 53757 2
110 . 1 . 1 24 24 PRO CA C 13 62.431 . . 1 . . . . . 24 P CA . 53757 2
111 . 1 . 1 24 24 PRO CB C 13 29.738 . . 1 . . . . . 24 P CB . 53757 2
112 . 1 . 1 25 25 ASN H H 1 8.765 . . 1 . . . . . 25 N H . 53757 2
113 . 1 . 1 25 25 ASN C C 13 173.469 . . 1 . . . . . 25 N C . 53757 2
114 . 1 . 1 25 25 ASN CA C 13 49.877 . . 1 . . . . . 25 N CA . 53757 2
115 . 1 . 1 25 25 ASN CB C 13 36.129 . . 1 . . . . . 25 N CB . 53757 2
116 . 1 . 1 25 25 ASN N N 15 113.078 . . 1 . . . . . 25 N N . 53757 2
117 . 1 . 1 26 26 LEU H H 1 6.523 . . 1 . . . . . 26 L H . 53757 2
118 . 1 . 1 26 26 LEU C C 13 173.714 . . 1 . . . . . 26 L C . 53757 2
119 . 1 . 1 26 26 LEU CA C 13 51.502 . . 1 . . . . . 26 L CA . 53757 2
120 . 1 . 1 26 26 LEU CB C 13 40.523 . . 1 . . . . . 26 L CB . 53757 2
121 . 1 . 1 26 26 LEU N N 15 117.636 . . 1 . . . . . 26 L N . 53757 2
122 . 1 . 1 27 27 ASN H H 1 8.528 . . 1 . . . . . 27 N H . 53757 2
123 . 1 . 1 27 27 ASN C C 13 173.107 . . 1 . . . . . 27 N C . 53757 2
124 . 1 . 1 27 27 ASN CA C 13 48.586 . . 1 . . . . . 27 N CA . 53757 2
125 . 1 . 1 27 27 ASN CB C 13 35.886 . . 1 . . . . . 27 N CB . 53757 2
126 . 1 . 1 27 27 ASN N N 15 119.296 . . 1 . . . . . 27 N N . 53757 2
127 . 1 . 1 28 28 GLU H H 1 8.542 . . 1 . . . . . 28 E H . 53757 2
128 . 1 . 1 28 28 GLU C C 13 175.398 . . 1 . . . . . 28 E C . 53757 2
129 . 1 . 1 28 28 GLU CA C 13 57.127 . . 1 . . . . . 28 E CA . 53757 2
130 . 1 . 1 28 28 GLU CB C 13 26.640 . . 1 . . . . . 28 E CB . 53757 2
131 . 1 . 1 28 28 GLU N N 15 118.205 . . 1 . . . . . 28 E N . 53757 2
132 . 1 . 1 29 29 GLU H H 1 8.189 . . 1 . . . . . 29 E H . 53757 2
133 . 1 . 1 29 29 GLU C C 13 177.813 . . 1 . . . . . 29 E C . 53757 2
134 . 1 . 1 29 29 GLU CA C 13 57.075 . . 1 . . . . . 29 E CA . 53757 2
135 . 1 . 1 29 29 GLU CB C 13 26.012 . . 1 . . . . . 29 E CB . 53757 2
136 . 1 . 1 29 29 GLU N N 15 119.844 . . 1 . . . . . 29 E N . 53757 2
137 . 1 . 1 30 30 GLN H H 1 8.554 . . 1 . . . . . 30 Q H . 53757 2
138 . 1 . 1 30 30 GLN C C 13 176.222 . . 1 . . . . . 30 Q C . 53757 2
139 . 1 . 1 30 30 GLN CA C 13 55.219 . . 1 . . . . . 30 Q CA . 53757 2
140 . 1 . 1 30 30 GLN CB C 13 26.067 . . 1 . . . . . 30 Q CB . 53757 2
141 . 1 . 1 30 30 GLN N N 15 120.073 . . 1 . . . . . 30 Q N . 53757 2
142 . 1 . 1 31 31 ARG H H 1 8.617 . . 1 . . . . . 31 R H . 53757 2
143 . 1 . 1 31 31 ARG C C 13 175.010 . . 1 . . . . . 31 R C . 53757 2
144 . 1 . 1 31 31 ARG CA C 13 58.015 . . 1 . . . . . 31 R CA . 53757 2
145 . 1 . 1 31 31 ARG CB C 13 27.973 . . 1 . . . . . 31 R CB . 53757 2
146 . 1 . 1 31 31 ARG N N 15 119.431 . . 1 . . . . . 31 R N . 53757 2
147 . 1 . 1 32 32 ASN H H 1 8.554 . . 1 . . . . . 32 N H . 53757 2
148 . 1 . 1 32 32 ASN C C 13 175.777 . . 1 . . . . . 32 N C . 53757 2
149 . 1 . 1 32 32 ASN CA C 13 53.359 . . 1 . . . . . 32 N CA . 53757 2
150 . 1 . 1 32 32 ASN CB C 13 35.127 . . 1 . . . . . 32 N CB . 53757 2
151 . 1 . 1 32 32 ASN N N 15 115.682 . . 1 . . . . . 32 N N . 53757 2
152 . 1 . 1 33 33 GLY H H 1 8.010 . . 1 . . . . . 33 G H . 53757 2
153 . 1 . 1 33 33 GLY C C 13 173.950 . . 1 . . . . . 33 G C . 53757 2
154 . 1 . 1 33 33 GLY CA C 13 44.446 . . 1 . . . . . 33 G CA . 53757 2
155 . 1 . 1 33 33 GLY N N 15 108.434 . . 1 . . . . . 33 G N . 53757 2
156 . 1 . 1 34 34 PHE H H 1 7.852 . . 1 . . . . . 34 F H . 53757 2
157 . 1 . 1 34 34 PHE C C 13 175.406 . . 1 . . . . . 34 F C . 53757 2
158 . 1 . 1 34 34 PHE CA C 13 58.888 . . 1 . . . . . 34 F CA . 53757 2
159 . 1 . 1 34 34 PHE CB C 13 37.076 . . 1 . . . . . 34 F CB . 53757 2
160 . 1 . 1 34 34 PHE N N 15 120.511 . . 1 . . . . . 34 F N . 53757 2
161 . 1 . 1 35 35 ILE H H 1 8.301 . . 1 . . . . . 35 I H . 53757 2
162 . 1 . 1 35 35 ILE C C 13 174.960 . . 1 . . . . . 35 I C . 53757 2
163 . 1 . 1 35 35 ILE CA C 13 62.092 . . 1 . . . . . 35 I CA . 53757 2
164 . 1 . 1 35 35 ILE CB C 13 34.201 . . 1 . . . . . 35 I CB . 53757 2
165 . 1 . 1 35 35 ILE N N 15 118.820 . . 1 . . . . . 35 I N . 53757 2
166 . 1 . 1 36 36 GLN H H 1 8.309 . . 1 . . . . . 36 Q H . 53757 2
167 . 1 . 1 36 36 GLN C C 13 175.643 . . 1 . . . . . 36 Q C . 53757 2
168 . 1 . 1 36 36 GLN CA C 13 56.140 . . 1 . . . . . 36 Q CA . 53757 2
169 . 1 . 1 36 36 GLN CB C 13 25.426 . . 1 . . . . . 36 Q CB . 53757 2
170 . 1 . 1 36 36 GLN N N 15 119.213 . . 1 . . . . . 36 Q N . 53757 2
171 . 1 . 1 37 37 SER H H 1 7.965 . . 1 . . . . . 37 S H . 53757 2
172 . 1 . 1 37 37 SER C C 13 173.280 . . 1 . . . . . 37 S C . 53757 2
173 . 1 . 1 37 37 SER CA C 13 59.840 . . 1 . . . . . 37 S CA . 53757 2
174 . 1 . 1 37 37 SER CB C 13 60.834 . . 1 . . . . . 37 S CB . 53757 2
175 . 1 . 1 37 37 SER N N 15 115.149 . . 1 . . . . . 37 S N . 53757 2
176 . 1 . 1 38 38 LEU H H 1 8.149 . . 1 . . . . . 38 L H . 53757 2
177 . 1 . 1 38 38 LEU C C 13 174.905 . . 1 . . . . . 38 L C . 53757 2
178 . 1 . 1 38 38 LEU CA C 13 55.048 . . 1 . . . . . 38 L CA . 53757 2
179 . 1 . 1 38 38 LEU CB C 13 39.769 . . 1 . . . . . 38 L CB . 53757 2
180 . 1 . 1 38 38 LEU N N 15 123.975 . . 1 . . . . . 38 L N . 53757 2
181 . 1 . 1 39 39 LYS H H 1 7.974 . . 1 . . . . . 39 K H . 53757 2
182 . 1 . 1 39 39 LYS C C 13 176.312 . . 1 . . . . . 39 K C . 53757 2
183 . 1 . 1 39 39 LYS CA C 13 56.823 . . 1 . . . . . 39 K CA . 53757 2
184 . 1 . 1 39 39 LYS CB C 13 29.874 . . 1 . . . . . 39 K CB . 53757 2
185 . 1 . 1 39 39 LYS N N 15 115.800 . . 1 . . . . . 39 K N . 53757 2
186 . 1 . 1 40 40 ASP H H 1 8.060 . . 1 . . . . . 40 D H . 53757 2
187 . 1 . 1 40 40 ASP C C 13 174.589 . . 1 . . . . . 40 D C . 53757 2
188 . 1 . 1 40 40 ASP CA C 13 53.898 . . 1 . . . . . 40 D CA . 53757 2
189 . 1 . 1 40 40 ASP CB C 13 38.076 . . 1 . . . . . 40 D CB . 53757 2
190 . 1 . 1 40 40 ASP N N 15 117.934 . . 1 . . . . . 40 D N . 53757 2
191 . 1 . 1 41 41 ASP H H 1 7.618 . . 1 . . . . . 41 D H . 53757 2
192 . 1 . 1 41 41 ASP C C 13 170.271 . . 1 . . . . . 41 D C . 53757 2
193 . 1 . 1 41 41 ASP CA C 13 49.080 . . 1 . . . . . 41 D CA . 53757 2
194 . 1 . 1 41 41 ASP CB C 13 37.607 . . 1 . . . . . 41 D CB . 53757 2
195 . 1 . 1 41 41 ASP N N 15 114.013 . . 1 . . . . . 41 D N . 53757 2
196 . 1 . 1 42 42 PRO C C 13 175.802 . . 1 . . . . . 42 P C . 53757 2
197 . 1 . 1 42 42 PRO CA C 13 62.038 . . 1 . . . . . 42 P CA . 53757 2
198 . 1 . 1 42 42 PRO CB C 13 29.194 . . 1 . . . . . 42 P CB . 53757 2
199 . 1 . 1 43 43 SER H H 1 8.031 . . 1 . . . . . 43 S H . 53757 2
200 . 1 . 1 43 43 SER C C 13 173.536 . . 1 . . . . . 43 S C . 53757 2
201 . 1 . 1 43 43 SER CA C 13 58.400 . . 1 . . . . . 43 S CA . 53757 2
202 . 1 . 1 43 43 SER CB C 13 60.160 . . 1 . . . . . 43 S CB . 53757 2
203 . 1 . 1 43 43 SER N N 15 113.242 . . 1 . . . . . 43 S N . 53757 2
204 . 1 . 1 44 44 GLN H H 1 7.819 . . 1 . . . . . 44 Q H . 53757 2
205 . 1 . 1 44 44 GLN C C 13 173.704 . . 1 . . . . . 44 Q C . 53757 2
206 . 1 . 1 44 44 GLN CA C 13 52.507 . . 1 . . . . . 44 Q CA . 53757 2
207 . 1 . 1 44 44 GLN CB C 13 25.379 . . 1 . . . . . 44 Q CB . 53757 2
208 . 1 . 1 44 44 GLN N N 15 120.350 . . 1 . . . . . 44 Q N . 53757 2
209 . 1 . 1 45 45 SER H H 1 7.710 . . 1 . . . . . 45 S H . 53757 2
210 . 1 . 1 45 45 SER C C 13 171.646 . . 1 . . . . . 45 S C . 53757 2
211 . 1 . 1 45 45 SER CA C 13 60.948 . . 1 . . . . . 45 S CA . 53757 2
212 . 1 . 1 45 45 SER CB C 13 60.033 . . 1 . . . . . 45 S CB . 53757 2
213 . 1 . 1 45 45 SER N N 15 115.432 . . 1 . . . . . 45 S N . 53757 2
214 . 1 . 1 46 46 ALA H H 1 8.458 . . 1 . . . . . 46 A H . 53757 2
215 . 1 . 1 46 46 ALA C C 13 178.246 . . 1 . . . . . 46 A C . 53757 2
216 . 1 . 1 46 46 ALA CA C 13 52.910 . . 1 . . . . . 46 A CA . 53757 2
217 . 1 . 1 46 46 ALA CB C 13 15.172 . . 1 . . . . . 46 A CB . 53757 2
218 . 1 . 1 46 46 ALA N N 15 122.988 . . 1 . . . . . 46 A N . 53757 2
219 . 1 . 1 47 47 ASN H H 1 7.861 . . 1 . . . . . 47 N H . 53757 2
220 . 1 . 1 47 47 ASN C C 13 175.205 . . 1 . . . . . 47 N C . 53757 2
221 . 1 . 1 47 47 ASN CA C 13 53.120 . . 1 . . . . . 47 N CA . 53757 2
222 . 1 . 1 47 47 ASN CB C 13 35.466 . . 1 . . . . . 47 N CB . 53757 2
223 . 1 . 1 47 47 ASN N N 15 118.355 . . 1 . . . . . 47 N N . 53757 2
224 . 1 . 1 48 48 LEU H H 1 8.451 . . 1 . . . . . 48 L H . 53757 2
225 . 1 . 1 48 48 LEU C C 13 175.765 . . 1 . . . . . 48 L C . 53757 2
226 . 1 . 1 48 48 LEU CA C 13 55.102 . . 1 . . . . . 48 L CA . 53757 2
227 . 1 . 1 48 48 LEU CB C 13 39.579 . . 1 . . . . . 48 L CB . 53757 2
228 . 1 . 1 48 48 LEU N N 15 121.348 . . 1 . . . . . 48 L N . 53757 2
229 . 1 . 1 49 49 LEU H H 1 8.427 . . 1 . . . . . 49 L H . 53757 2
230 . 1 . 1 49 49 LEU C C 13 175.676 . . 1 . . . . . 49 L C . 53757 2
231 . 1 . 1 49 49 LEU CA C 13 55.202 . . 1 . . . . . 49 L CA . 53757 2
232 . 1 . 1 49 49 LEU CB C 13 39.163 . . 1 . . . . . 49 L CB . 53757 2
233 . 1 . 1 49 49 LEU N N 15 118.780 . . 1 . . . . . 49 L N . 53757 2
234 . 1 . 1 50 50 ALA H H 1 7.533 . . 1 . . . . . 50 A H . 53757 2
235 . 1 . 1 50 50 ALA C C 13 178.428 . . 1 . . . . . 50 A C . 53757 2
236 . 1 . 1 50 50 ALA CA C 13 52.522 . . 1 . . . . . 50 A CA . 53757 2
237 . 1 . 1 50 50 ALA CB C 13 15.114 . . 1 . . . . . 50 A CB . 53757 2
238 . 1 . 1 50 50 ALA N N 15 119.910 . . 1 . . . . . 50 A N . 53757 2
239 . 1 . 1 51 51 GLU H H 1 7.926 . . 1 . . . . . 51 E H . 53757 2
240 . 1 . 1 51 51 GLU C C 13 176.136 . . 1 . . . . . 51 E C . 53757 2
241 . 1 . 1 51 51 GLU CA C 13 56.337 . . 1 . . . . . 51 E CA . 53757 2
242 . 1 . 1 51 51 GLU CB C 13 26.490 . . 1 . . . . . 51 E CB . 53757 2
243 . 1 . 1 51 51 GLU N N 15 119.124 . . 1 . . . . . 51 E N . 53757 2
244 . 1 . 1 52 52 ALA H H 1 8.347 . . 1 . . . . . 52 A H . 53757 2
245 . 1 . 1 52 52 ALA C C 13 176.831 . . 1 . . . . . 52 A C . 53757 2
246 . 1 . 1 52 52 ALA CA C 13 52.525 . . 1 . . . . . 52 A CA . 53757 2
247 . 1 . 1 52 52 ALA CB C 13 14.852 . . 1 . . . . . 52 A CB . 53757 2
248 . 1 . 1 52 52 ALA N N 15 123.197 . . 1 . . . . . 52 A N . 53757 2
249 . 1 . 1 53 53 LYS H H 1 8.356 . . 1 . . . . . 53 K H . 53757 2
250 . 1 . 1 53 53 LYS C C 13 176.004 . . 1 . . . . . 53 K C . 53757 2
251 . 1 . 1 53 53 LYS CA C 13 56.997 . . 1 . . . . . 53 K CA . 53757 2
252 . 1 . 1 53 53 LYS CB C 13 29.279 . . 1 . . . . . 53 K CB . 53757 2
253 . 1 . 1 53 53 LYS N N 15 118.090 . . 1 . . . . . 53 K N . 53757 2
254 . 1 . 1 54 54 LYS H H 1 7.590 . . 1 . . . . . 54 K H . 53757 2
255 . 1 . 1 54 54 LYS C C 13 177.135 . . 1 . . . . . 54 K C . 53757 2
256 . 1 . 1 54 54 LYS CA C 13 56.831 . . 1 . . . . . 54 K CA . 53757 2
257 . 1 . 1 54 54 LYS CB C 13 29.770 . . 1 . . . . . 54 K CB . 53757 2
258 . 1 . 1 54 54 LYS N N 15 119.332 . . 1 . . . . . 54 K N . 53757 2
259 . 1 . 1 55 55 LEU H H 1 7.857 . . 1 . . . . . 55 L H . 53757 2
260 . 1 . 1 55 55 LEU C C 13 175.298 . . 1 . . . . . 55 L C . 53757 2
261 . 1 . 1 55 55 LEU CA C 13 54.905 . . 1 . . . . . 55 L CA . 53757 2
262 . 1 . 1 55 55 LEU CB C 13 39.571 . . 1 . . . . . 55 L CB . 53757 2
263 . 1 . 1 55 55 LEU N N 15 121.324 . . 1 . . . . . 55 L N . 53757 2
264 . 1 . 1 56 56 ASN H H 1 8.592 . . 1 . . . . . 56 N H . 53757 2
265 . 1 . 1 56 56 ASN C C 13 174.974 . . 1 . . . . . 56 N C . 53757 2
266 . 1 . 1 56 56 ASN CA C 13 55.139 . . 1 . . . . . 56 N CA . 53757 2
267 . 1 . 1 56 56 ASN CB C 13 38.227 . . 1 . . . . . 56 N CB . 53757 2
268 . 1 . 1 56 56 ASN N N 15 117.404 . . 1 . . . . . 56 N N . 53757 2
269 . 1 . 1 57 57 ASP H H 1 8.258 . . 1 . . . . . 57 D H . 53757 2
270 . 1 . 1 57 57 ASP C C 13 176.177 . . 1 . . . . . 57 D C . 53757 2
271 . 1 . 1 57 57 ASP CA C 13 54.079 . . 1 . . . . . 57 D CA . 53757 2
272 . 1 . 1 57 57 ASP CB C 13 37.109 . . 1 . . . . . 57 D CB . 53757 2
273 . 1 . 1 57 57 ASP N N 15 118.403 . . 1 . . . . . 57 D N . 53757 2
274 . 1 . 1 58 58 ALA H H 1 8.004 . . 1 . . . . . 58 A H . 53757 2
275 . 1 . 1 58 58 ALA C C 13 176.641 . . 1 . . . . . 58 A C . 53757 2
276 . 1 . 1 58 58 ALA CA C 13 51.582 . . 1 . . . . . 58 A CA . 53757 2
277 . 1 . 1 58 58 ALA CB C 13 15.907 . . 1 . . . . . 58 A CB . 53757 2
278 . 1 . 1 58 58 ALA N N 15 122.791 . . 1 . . . . . 58 A N . 53757 2
279 . 1 . 1 59 59 GLN H H 1 7.538 . . 1 . . . . . 59 Q H . 53757 2
280 . 1 . 1 59 59 GLN C C 13 171.577 . . 1 . . . . . 59 Q C . 53757 2
281 . 1 . 1 59 59 GLN CA C 13 52.416 . . 1 . . . . . 59 Q CA . 53757 2
282 . 1 . 1 59 59 GLN CB C 13 25.496 . . 1 . . . . . 59 Q CB . 53757 2
283 . 1 . 1 59 59 GLN N N 15 115.060 . . 1 . . . . . 59 Q N . 53757 2
284 . 1 . 1 60 60 ALA H H 1 7.096 . . 1 . . . . . 60 A H . 53757 2
285 . 1 . 1 60 60 ALA C C 13 172.796 . . 1 . . . . . 60 A C . 53757 2
286 . 1 . 1 60 60 ALA CA C 13 48.306 . . 1 . . . . . 60 A CA . 53757 2
287 . 1 . 1 60 60 ALA CB C 13 15.161 . . 1 . . . . . 60 A CB . 53757 2
288 . 1 . 1 60 60 ALA N N 15 124.515 . . 1 . . . . . 60 A N . 53757 2
289 . 1 . 1 61 61 PRO C C 13 173.485 . . 1 . . . . . 61 P C . 53757 2
290 . 1 . 1 61 61 PRO CA C 13 60.750 . . 1 . . . . . 61 P CA . 53757 2
291 . 1 . 1 61 61 PRO CB C 13 29.166 . . 1 . . . . . 61 P CB . 53757 2
292 . 1 . 1 62 62 LYS H H 1 8.006 . . 1 . . . . . 62 K H . 53757 2
293 . 1 . 1 62 62 LYS C C 13 178.760 . . 1 . . . . . 62 K C . 53757 2
294 . 1 . 1 62 62 LYS CA C 13 54.761 . . 1 . . . . . 62 K CA . 53757 2
295 . 1 . 1 62 62 LYS CB C 13 31.084 . . 1 . . . . . 62 K CB . 53757 2
296 . 1 . 1 62 62 LYS N N 15 127.140 . . 1 . . . . . 62 K N . 53757 2
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