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 51117
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'BB shifts'
_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' . . . 51117 1
2 '3D HNCACB' . . . 51117 1
3 '3D CBCACONH' . . . 51117 1
4 '3D HNCO' . . . 51117 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
3 $software_3 . . 51117 1
4 $software_4 . . 51117 1
5 $software_5 . . 51117 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 2 2 ALA H H 1 8.274 0.020 . 1 . . . . . 2 ALA H . 51117 1
2 . 1 . 1 2 2 ALA C C 13 177.173 0.3 . 1 . . . . . 2 ALA C . 51117 1
3 . 1 . 1 2 2 ALA CA C 13 52.235 0.3 . 1 . . . . . 2 ALA CA . 51117 1
4 . 1 . 1 2 2 ALA CB C 13 19.128 0.3 . 1 . . . . . 2 ALA CB . 51117 1
5 . 1 . 1 2 2 ALA N N 15 125.631 0.3 . 1 . . . . . 2 ALA N . 51117 1
6 . 1 . 1 3 3 ALA H H 1 8.254 0.020 . 1 . . . . . 3 ALA H . 51117 1
7 . 1 . 1 3 3 ALA C C 13 177.605 0.3 . 1 . . . . . 3 ALA C . 51117 1
8 . 1 . 1 3 3 ALA CA C 13 52.159 0.3 . 1 . . . . . 3 ALA CA . 51117 1
9 . 1 . 1 3 3 ALA CB C 13 19.036 0.3 . 1 . . . . . 3 ALA CB . 51117 1
10 . 1 . 1 3 3 ALA N N 15 123.721 0.3 . 1 . . . . . 3 ALA N . 51117 1
11 . 1 . 1 4 4 VAL H H 1 8.073 0.020 . 1 . . . . . 4 VAL H . 51117 1
12 . 1 . 1 4 4 VAL C C 13 175.939 0.3 . 1 . . . . . 4 VAL C . 51117 1
13 . 1 . 1 4 4 VAL CA C 13 62.098 0.3 . 1 . . . . . 4 VAL CA . 51117 1
14 . 1 . 1 4 4 VAL CB C 13 32.814 0.3 . 1 . . . . . 4 VAL CB . 51117 1
15 . 1 . 1 4 4 VAL N N 15 119.404 0.3 . 1 . . . . . 4 VAL N . 51117 1
16 . 1 . 1 5 5 GLU H H 1 8.441 0.020 . 1 . . . . . 5 GLU H . 51117 1
17 . 1 . 1 5 5 GLU C C 13 176.088 0.3 . 1 . . . . . 5 GLU C . 51117 1
18 . 1 . 1 5 5 GLU CA C 13 56.339 0.3 . 1 . . . . . 5 GLU CA . 51117 1
19 . 1 . 1 5 5 GLU CB C 13 30.369 0.3 . 1 . . . . . 5 GLU CB . 51117 1
20 . 1 . 1 5 5 GLU N N 15 124.545 0.3 . 1 . . . . . 5 GLU N . 51117 1
21 . 1 . 1 6 6 THR H H 1 8.144 0.020 . 1 . . . . . 6 THR H . 51117 1
22 . 1 . 1 6 6 THR C C 13 173.769 0.3 . 1 . . . . . 6 THR C . 51117 1
23 . 1 . 1 6 6 THR CA C 13 61.869 0.3 . 1 . . . . . 6 THR CA . 51117 1
24 . 1 . 1 6 6 THR CB C 13 69.744 0.3 . 1 . . . . . 6 THR CB . 51117 1
25 . 1 . 1 6 6 THR N N 15 117.216 0.3 . 1 . . . . . 6 THR N . 51117 1
26 . 1 . 1 7 7 ARG H H 1 8.520 0.020 . 1 . . . . . 7 ARG H . 51117 1
27 . 1 . 1 7 7 ARG C C 13 175.107 0.3 . 1 . . . . . 7 ARG C . 51117 1
28 . 1 . 1 7 7 ARG CA C 13 54.682 0.3 . 1 . . . . . 7 ARG CA . 51117 1
29 . 1 . 1 7 7 ARG CB C 13 31.285 0.3 . 1 . . . . . 7 ARG CB . 51117 1
30 . 1 . 1 7 7 ARG N N 15 124.983 0.3 . 1 . . . . . 7 ARG N . 51117 1
31 . 1 . 1 8 8 VAL H H 1 8.277 0.020 . 1 . . . . . 8 VAL H . 51117 1
32 . 1 . 1 8 8 VAL C C 13 174.363 0.3 . 1 . . . . . 8 VAL C . 51117 1
33 . 1 . 1 8 8 VAL CA C 13 61.181 0.3 . 1 . . . . . 8 VAL CA . 51117 1
34 . 1 . 1 8 8 VAL CB C 13 33.350 0.3 . 1 . . . . . 8 VAL CB . 51117 1
35 . 1 . 1 8 8 VAL N N 15 122.904 0.3 . 1 . . . . . 8 VAL N . 51117 1
36 . 1 . 1 9 9 CYS H H 1 8.222 0.020 . 1 . . . . . 9 CYS H . 51117 1
37 . 1 . 1 9 9 CYS C C 13 175.256 0.3 . 1 . . . . . 9 CYS C . 51117 1
38 . 1 . 1 9 9 CYS CA C 13 61.181 0.3 . 1 . . . . . 9 CYS CA . 51117 1
39 . 1 . 1 9 9 CYS CB C 13 31.209 0.3 . 1 . . . . . 9 CYS CB . 51117 1
40 . 1 . 1 9 9 CYS N N 15 127.772 0.3 . 1 . . . . . 9 CYS N . 51117 1
41 . 1 . 1 10 10 GLU H H 1 8.199 0.020 . 1 . . . . . 10 GLU H . 51117 1
42 . 1 . 1 10 10 GLU C C 13 177.827 0.3 . 1 . . . . . 10 GLU C . 51117 1
43 . 1 . 1 10 10 GLU CA C 13 57.358 0.3 . 1 . . . . . 10 GLU CA . 51117 1
44 . 1 . 1 10 10 GLU CB C 13 29.297 0.3 . 1 . . . . . 10 GLU CB . 51117 1
45 . 1 . 1 10 10 GLU N N 15 126.842 0.3 . 1 . . . . . 10 GLU N . 51117 1
46 . 1 . 1 11 11 THR H H 1 9.161 0.020 . 1 . . . . . 11 THR H . 51117 1
47 . 1 . 1 11 11 THR C C 13 175.761 0.3 . 1 . . . . . 11 THR C . 51117 1
48 . 1 . 1 11 11 THR CA C 13 64.163 0.3 . 1 . . . . . 11 THR CA . 51117 1
49 . 1 . 1 11 11 THR CB C 13 68.062 0.3 . 1 . . . . . 11 THR CB . 51117 1
50 . 1 . 1 11 11 THR N N 15 124.326 0.3 . 1 . . . . . 11 THR N . 51117 1
51 . 1 . 1 12 12 ASP H H 1 9.075 0.020 . 1 . . . . . 12 ASP H . 51117 1
52 . 1 . 1 12 12 ASP C C 13 176.579 0.3 . 1 . . . . . 12 ASP C . 51117 1
53 . 1 . 1 12 12 ASP CA C 13 56.134 0.3 . 1 . . . . . 12 ASP CA . 51117 1
54 . 1 . 1 12 12 ASP CB C 13 40.537 0.3 . 1 . . . . . 12 ASP CB . 51117 1
55 . 1 . 1 12 12 ASP N N 15 131.710 0.3 . 1 . . . . . 12 ASP N . 51117 1
56 . 1 . 1 13 13 GLY H H 1 8.890 0.020 . 1 . . . . . 13 GLY H . 51117 1
57 . 1 . 1 13 13 GLY C C 13 172.892 0.3 . 1 . . . . . 13 GLY C . 51117 1
58 . 1 . 1 13 13 GLY CA C 13 45.124 0.3 . 1 . . . . . 13 GLY CA . 51117 1
59 . 1 . 1 13 13 GLY N N 15 115.336 0.3 . 1 . . . . . 13 GLY N . 51117 1
60 . 1 . 1 14 14 CYS H H 1 7.760 0.020 . 1 . . . . . 14 CYS H . 51117 1
61 . 1 . 1 14 14 CYS C C 13 175.345 0.3 . 1 . . . . . 14 CYS C . 51117 1
62 . 1 . 1 14 14 CYS CA C 13 59.040 0.3 . 1 . . . . . 14 CYS CA . 51117 1
63 . 1 . 1 14 14 CYS CB C 13 31.285 0.3 . 1 . . . . . 14 CYS CB . 51117 1
64 . 1 . 1 14 14 CYS N N 15 124.326 0.3 . 1 . . . . . 14 CYS N . 51117 1
65 . 1 . 1 15 15 SER H H 1 8.779 0.020 . 1 . . . . . 15 SER H . 51117 1
66 . 1 . 1 15 15 SER C C 13 174.259 0.3 . 1 . . . . . 15 SER C . 51117 1
67 . 1 . 1 15 15 SER CA C 13 56.899 0.3 . 1 . . . . . 15 SER CA . 51117 1
68 . 1 . 1 15 15 SER CB C 13 63.704 0.3 . 1 . . . . . 15 SER CB . 51117 1
69 . 1 . 1 15 15 SER N N 15 122.333 0.3 . 1 . . . . . 15 SER N . 51117 1
70 . 1 . 1 16 16 SER H H 1 8.715 0.020 . 1 . . . . . 16 SER H . 51117 1
71 . 1 . 1 16 16 SER C C 13 172.565 0.3 . 1 . . . . . 16 SER C . 51117 1
72 . 1 . 1 16 16 SER CA C 13 59.881 0.3 . 1 . . . . . 16 SER CA . 51117 1
73 . 1 . 1 16 16 SER CB C 13 63.933 0.3 . 1 . . . . . 16 SER CB . 51117 1
74 . 1 . 1 16 16 SER N N 15 121.537 0.3 . 1 . . . . . 16 SER N . 51117 1
75 . 1 . 1 17 17 GLU H H 1 8.559 0.020 . 1 . . . . . 17 GLU H . 51117 1
76 . 1 . 1 17 17 GLU C C 13 176.326 0.3 . 1 . . . . . 17 GLU C . 51117 1
77 . 1 . 1 17 17 GLU CA C 13 57.128 0.3 . 1 . . . . . 17 GLU CA . 51117 1
78 . 1 . 1 17 17 GLU CB C 13 29.756 0.3 . 1 . . . . . 17 GLU CB . 51117 1
79 . 1 . 1 17 17 GLU N N 15 123.178 0.3 . 1 . . . . . 17 GLU N . 51117 1
80 . 1 . 1 18 18 ALA H H 1 8.316 0.020 . 1 . . . . . 18 ALA H . 51117 1
81 . 1 . 1 18 18 ALA C C 13 176.326 0.3 . 1 . . . . . 18 ALA C . 51117 1
82 . 1 . 1 18 18 ALA CA C 13 52.235 0.3 . 1 . . . . . 18 ALA CA . 51117 1
83 . 1 . 1 18 18 ALA CB C 13 20.963 0.3 . 1 . . . . . 18 ALA CB . 51117 1
84 . 1 . 1 18 18 ALA N N 15 125.967 0.3 . 1 . . . . . 18 ALA N . 51117 1
85 . 1 . 1 19 19 LYS H H 1 8.355 0.020 . 1 . . . . . 19 LYS H . 51117 1
86 . 1 . 1 19 19 LYS C C 13 175.330 0.3 . 1 . . . . . 19 LYS C . 51117 1
87 . 1 . 1 19 19 LYS CA C 13 55.676 0.3 . 1 . . . . . 19 LYS CA . 51117 1
88 . 1 . 1 19 19 LYS CB C 13 35.720 0.3 . 1 . . . . . 19 LYS CB . 51117 1
89 . 1 . 1 19 19 LYS N N 15 118.802 0.3 . 1 . . . . . 19 LYS N . 51117 1
90 . 1 . 1 20 20 LEU H H 1 8.590 0.020 . 1 . . . . . 20 LEU H . 51117 1
91 . 1 . 1 20 20 LEU C C 13 174.230 0.3 . 1 . . . . . 20 LEU C . 51117 1
92 . 1 . 1 20 20 LEU CA C 13 54.605 0.3 . 1 . . . . . 20 LEU CA . 51117 1
93 . 1 . 1 20 20 LEU CB C 13 43.442 0.3 . 1 . . . . . 20 LEU CB . 51117 1
94 . 1 . 1 20 20 LEU N N 15 121.373 0.3 . 1 . . . . . 20 LEU N . 51117 1
95 . 1 . 1 21 21 GLN H H 1 8.418 0.020 . 1 . . . . . 21 GLN H . 51117 1
96 . 1 . 1 21 21 GLN C C 13 174.572 0.3 . 1 . . . . . 21 GLN C . 51117 1
97 . 1 . 1 21 21 GLN CA C 13 53.458 0.3 . 1 . . . . . 21 GLN CA . 51117 1
98 . 1 . 1 21 21 GLN CB C 13 31.515 0.3 . 1 . . . . . 21 GLN CB . 51117 1
99 . 1 . 1 21 21 GLN N N 15 123.178 0.3 . 1 . . . . . 21 GLN N . 51117 1
100 . 1 . 1 22 22 CYS H H 1 8.105 0.020 . 1 . . . . . 22 CYS H . 51117 1
101 . 1 . 1 22 22 CYS CA C 13 56.134 0.3 . 1 . . . . . 22 CYS CA . 51117 1
102 . 1 . 1 22 22 CYS CB C 13 30.979 0.3 . 1 . . . . . 22 CYS CB . 51117 1
103 . 1 . 1 22 22 CYS N N 15 126.295 0.3 . 1 . . . . . 22 CYS N . 51117 1
104 . 1 . 1 23 23 PRO C C 13 179.760 0.3 . 1 . . . . . 23 PRO C . 51117 1
105 . 1 . 1 23 23 PRO CA C 13 64.698 0.3 . 1 . . . . . 23 PRO CA . 51117 1
106 . 1 . 1 23 23 PRO CB C 13 32.203 0.3 . 1 . . . . . 23 PRO CB . 51117 1
107 . 1 . 1 24 24 THR H H 1 8.402 0.020 . 1 . . . . . 24 THR H . 51117 1
108 . 1 . 1 24 24 THR C C 13 175.627 0.3 . 1 . . . . . 24 THR C . 51117 1
109 . 1 . 1 24 24 THR CA C 13 66.992 0.3 . 1 . . . . . 24 THR CA . 51117 1
110 . 1 . 1 24 24 THR CB C 13 68.827 0.3 . 1 . . . . . 24 THR CB . 51117 1
111 . 1 . 1 24 24 THR N N 15 120.771 0.3 . 1 . . . . . 24 THR N . 51117 1
112 . 1 . 1 25 25 CYS H H 1 8.989 0.020 . 1 . . . . . 25 CYS H . 51117 1
113 . 1 . 1 25 25 CYS C C 13 177.961 0.3 . 1 . . . . . 25 CYS C . 51117 1
114 . 1 . 1 25 25 CYS CA C 13 67.527 0.3 . 1 . . . . . 25 CYS CA . 51117 1
115 . 1 . 1 25 25 CYS CB C 13 27.845 0.3 . 1 . . . . . 25 CYS CB . 51117 1
116 . 1 . 1 25 25 CYS N N 15 127.717 0.3 . 1 . . . . . 25 CYS N . 51117 1
117 . 1 . 1 26 26 ILE H H 1 7.635 0.020 . 1 . . . . . 26 ILE H . 51117 1
118 . 1 . 1 26 26 ILE C C 13 180.043 0.3 . 1 . . . . . 26 ILE C . 51117 1
119 . 1 . 1 26 26 ILE CA C 13 65.233 0.3 . 1 . . . . . 26 ILE CA . 51117 1
120 . 1 . 1 26 26 ILE CB C 13 37.937 0.3 . 1 . . . . . 26 ILE CB . 51117 1
121 . 1 . 1 26 26 ILE N N 15 117.380 0.3 . 1 . . . . . 26 ILE N . 51117 1
122 . 1 . 1 27 27 LYS H H 1 7.392 0.020 . 1 . . . . . 27 LYS H . 51117 1
123 . 1 . 1 27 27 LYS C C 13 178.407 0.3 . 1 . . . . . 27 LYS C . 51117 1
124 . 1 . 1 27 27 LYS CA C 13 59.116 0.3 . 1 . . . . . 27 LYS CA . 51117 1
125 . 1 . 1 27 27 LYS CB C 13 32.126 0.3 . 1 . . . . . 27 LYS CB . 51117 1
126 . 1 . 1 27 27 LYS N N 15 120.990 0.3 . 1 . . . . . 27 LYS N . 51117 1
127 . 1 . 1 28 28 LEU H H 1 7.940 0.020 . 1 . . . . . 28 LEU H . 51117 1
128 . 1 . 1 28 28 LEU C C 13 177.173 0.3 . 1 . . . . . 28 LEU C . 51117 1
129 . 1 . 1 28 28 LEU CA C 13 54.911 0.3 . 1 . . . . . 28 LEU CA . 51117 1
130 . 1 . 1 28 28 LEU CB C 13 43.060 0.3 . 1 . . . . . 28 LEU CB . 51117 1
131 . 1 . 1 28 28 LEU N N 15 116.997 0.3 . 1 . . . . . 28 LEU N . 51117 1
132 . 1 . 1 29 29 GLY H H 1 7.917 0.020 . 1 . . . . . 29 GLY H . 51117 1
133 . 1 . 1 29 29 GLY C C 13 174.631 0.3 . 1 . . . . . 29 GLY C . 51117 1
134 . 1 . 1 29 29 GLY CA C 13 46.118 0.3 . 1 . . . . . 29 GLY CA . 51117 1
135 . 1 . 1 29 29 GLY N N 15 109.286 0.3 . 1 . . . . . 29 GLY N . 51117 1
136 . 1 . 1 30 30 ILE H H 1 8.207 0.020 . 1 . . . . . 30 ILE H . 51117 1
137 . 1 . 1 30 30 ILE C C 13 176.133 0.3 . 1 . . . . . 30 ILE C . 51117 1
138 . 1 . 1 30 30 ILE CA C 13 61.334 0.3 . 1 . . . . . 30 ILE CA . 51117 1
139 . 1 . 1 30 30 ILE CB C 13 38.855 0.3 . 1 . . . . . 30 ILE CB . 51117 1
140 . 1 . 1 30 30 ILE N N 15 122.795 0.3 . 1 . . . . . 30 ILE N . 51117 1
141 . 1 . 1 31 31 GLN H H 1 8.676 0.020 . 1 . . . . . 31 GLN H . 51117 1
142 . 1 . 1 31 31 GLN C C 13 176.683 0.3 . 1 . . . . . 31 GLN C . 51117 1
143 . 1 . 1 31 31 GLN CA C 13 55.446 0.3 . 1 . . . . . 31 GLN CA . 51117 1
144 . 1 . 1 31 31 GLN CB C 13 29.221 0.3 . 1 . . . . . 31 GLN CB . 51117 1
145 . 1 . 1 31 31 GLN N N 15 127.006 0.3 . 1 . . . . . 31 GLN N . 51117 1
146 . 1 . 1 32 32 GLY H H 1 8.312 0.020 . 1 . . . . . 32 GLY H . 51117 1
147 . 1 . 1 32 32 GLY C C 13 173.367 0.3 . 1 . . . . . 32 GLY C . 51117 1
148 . 1 . 1 32 32 GLY CA C 13 45.583 0.3 . 1 . . . . . 32 GLY CA . 51117 1
149 . 1 . 1 32 32 GLY N N 15 109.056 0.3 . 1 . . . . . 32 GLY N . 51117 1
150 . 1 . 1 33 33 SER H H 1 8.739 0.020 . 1 . . . . . 33 SER H . 51117 1
151 . 1 . 1 33 33 SER C C 13 172.267 0.3 . 1 . . . . . 33 SER C . 51117 1
152 . 1 . 1 33 33 SER CA C 13 56.670 0.3 . 1 . . . . . 33 SER CA . 51117 1
153 . 1 . 1 33 33 SER CB C 13 61.257 0.3 . 1 . . . . . 33 SER CB . 51117 1
154 . 1 . 1 33 33 SER N N 15 117.818 0.3 . 1 . . . . . 33 SER N . 51117 1
155 . 1 . 1 34 34 TYR H H 1 7.502 0.020 . 1 . . . . . 34 TYR H . 51117 1
156 . 1 . 1 34 34 TYR C C 13 174.081 0.3 . 1 . . . . . 34 TYR C . 51117 1
157 . 1 . 1 34 34 TYR CA C 13 56.328 0.3 . 1 . . . . . 34 TYR CA . 51117 1
158 . 1 . 1 34 34 TYR CB C 13 40.690 0.3 . 1 . . . . . 34 TYR CB . 51117 1
159 . 1 . 1 34 34 TYR N N 15 121.865 0.3 . 1 . . . . . 34 TYR N . 51117 1
160 . 1 . 1 35 35 PHE H H 1 9.161 0.020 . 1 . . . . . 35 PHE H . 51117 1
161 . 1 . 1 35 35 PHE C C 13 177.084 0.3 . 1 . . . . . 35 PHE C . 51117 1
162 . 1 . 1 35 35 PHE CA C 13 56.106 0.3 . 1 . . . . . 35 PHE CA . 51117 1
163 . 1 . 1 35 35 PHE CB C 13 44.742 0.3 . 1 . . . . . 35 PHE CB . 51117 1
164 . 1 . 1 35 35 PHE N N 15 116.122 0.3 . 1 . . . . . 35 PHE N . 51117 1
165 . 1 . 1 36 36 CYS H H 1 10.641 0.020 . 1 . . . . . 36 CYS H . 51117 1
166 . 1 . 1 36 36 CYS C C 13 175.315 0.3 . 1 . . . . . 36 CYS C . 51117 1
167 . 1 . 1 36 36 CYS CA C 13 60.569 0.3 . 1 . . . . . 36 CYS CA . 51117 1
168 . 1 . 1 36 36 CYS CB C 13 31.515 0.3 . 1 . . . . . 36 CYS CB . 51117 1
169 . 1 . 1 36 36 CYS N N 15 123.834 0.3 . 1 . . . . . 36 CYS N . 51117 1
170 . 1 . 1 37 37 SER H H 1 7.432 0.020 . 1 . . . . . 37 SER H . 51117 1
171 . 1 . 1 37 37 SER C C 13 174.007 0.3 . 1 . . . . . 37 SER C . 51117 1
172 . 1 . 1 37 37 SER CA C 13 57.052 0.3 . 1 . . . . . 37 SER CA . 51117 1
173 . 1 . 1 37 37 SER CB C 13 65.310 0.3 . 1 . . . . . 37 SER CB . 51117 1
174 . 1 . 1 37 37 SER N N 15 113.005 0.3 . 1 . . . . . 37 SER N . 51117 1
175 . 1 . 1 38 38 GLN H H 1 9.389 0.020 . 1 . . . . . 38 GLN H . 51117 1
176 . 1 . 1 38 38 GLN C C 13 178.051 0.3 . 1 . . . . . 38 GLN C . 51117 1
177 . 1 . 1 38 38 GLN CA C 13 58.887 0.3 . 1 . . . . . 38 GLN CA . 51117 1
178 . 1 . 1 38 38 GLN CB C 13 27.615 0.3 . 1 . . . . . 38 GLN CB . 51117 1
179 . 1 . 1 38 38 GLN N N 15 122.452 0.3 . 1 . . . . . 38 GLN N . 51117 1
180 . 1 . 1 39 39 GLU H H 1 9.146 0.020 . 1 . . . . . 39 GLU H . 51117 1
181 . 1 . 1 39 39 GLU C C 13 178.705 0.3 . 1 . . . . . 39 GLU C . 51117 1
182 . 1 . 1 39 39 GLU CA C 13 60.416 0.3 . 1 . . . . . 39 GLU CA . 51117 1
183 . 1 . 1 39 39 GLU CB C 13 28.762 0.3 . 1 . . . . . 39 GLU CB . 51117 1
184 . 1 . 1 39 39 GLU N N 15 118.966 0.3 . 1 . . . . . 39 GLU N . 51117 1
185 . 1 . 1 40 40 CYS H H 1 7.737 0.020 . 1 . . . . . 40 CYS H . 51117 1
186 . 1 . 1 40 40 CYS C C 13 178.184 0.3 . 1 . . . . . 40 CYS C . 51117 1
187 . 1 . 1 40 40 CYS CA C 13 63.551 0.3 . 1 . . . . . 40 CYS CA . 51117 1
188 . 1 . 1 40 40 CYS CB C 13 31.438 0.3 . 1 . . . . . 40 CYS CB . 51117 1
189 . 1 . 1 40 40 CYS N N 15 124.053 0.3 . 1 . . . . . 40 CYS N . 51117 1
190 . 1 . 1 41 41 PHE H H 1 7.862 0.020 . 1 . . . . . 41 PHE H . 51117 1
191 . 1 . 1 41 41 PHE C C 13 177.233 0.3 . 1 . . . . . 41 PHE C . 51117 1
192 . 1 . 1 41 41 PHE CA C 13 58.887 0.3 . 1 . . . . . 41 PHE CA . 51117 1
193 . 1 . 1 41 41 PHE CB C 13 38.931 0.3 . 1 . . . . . 41 PHE CB . 51117 1
194 . 1 . 1 41 41 PHE N N 15 118.091 0.3 . 1 . . . . . 41 PHE N . 51117 1
195 . 1 . 1 42 42 LYS H H 1 8.582 0.020 . 1 . . . . . 42 LYS H . 51117 1
196 . 1 . 1 42 42 LYS C C 13 180.281 0.3 . 1 . . . . . 42 LYS C . 51117 1
197 . 1 . 1 42 42 LYS CA C 13 59.116 0.3 . 1 . . . . . 42 LYS CA . 51117 1
198 . 1 . 1 42 42 LYS CB C 13 31.667 0.3 . 1 . . . . . 42 LYS CB . 51117 1
199 . 1 . 1 42 42 LYS N N 15 118.255 0.3 . 1 . . . . . 42 LYS N . 51117 1
200 . 1 . 1 43 43 GLY H H 1 7.972 0.020 . 1 . . . . . 43 GLY H . 51117 1
201 . 1 . 1 43 43 GLY C C 13 176.133 0.3 . 1 . . . . . 43 GLY C . 51117 1
202 . 1 . 1 43 43 GLY CA C 13 46.730 0.3 . 1 . . . . . 43 GLY CA . 51117 1
203 . 1 . 1 43 43 GLY N N 15 106.660 0.3 . 1 . . . . . 43 GLY N . 51117 1
204 . 1 . 1 44 44 SER H H 1 7.659 0.020 . 1 . . . . . 44 SER H . 51117 1
205 . 1 . 1 44 44 SER C C 13 174.468 0.3 . 1 . . . . . 44 SER C . 51117 1
206 . 1 . 1 44 44 SER CA C 13 58.811 0.3 . 1 . . . . . 44 SER CA . 51117 1
207 . 1 . 1 44 44 SER CB C 13 64.316 0.3 . 1 . . . . . 44 SER CB . 51117 1
208 . 1 . 1 44 44 SER N N 15 116.341 0.3 . 1 . . . . . 44 SER N . 51117 1
209 . 1 . 1 45 45 TRP H H 1 7.612 0.020 . 1 . . . . . 45 TRP H . 51117 1
210 . 1 . 1 45 45 TRP C C 13 175.374 0.3 . 1 . . . . . 45 TRP C . 51117 1
211 . 1 . 1 45 45 TRP CA C 13 60.569 0.3 . 1 . . . . . 45 TRP CA . 51117 1
212 . 1 . 1 45 45 TRP CB C 13 30.215 0.3 . 1 . . . . . 45 TRP CB . 51117 1
213 . 1 . 1 45 45 TRP N N 15 124.600 0.3 . 1 . . . . . 45 TRP N . 51117 1
214 . 1 . 1 46 46 ALA H H 1 8.629 0.020 . 1 . . . . . 46 ALA H . 51117 1
215 . 1 . 1 46 46 ALA C C 13 179.240 0.3 . 1 . . . . . 46 ALA C . 51117 1
216 . 1 . 1 46 46 ALA CA C 13 55.446 0.3 . 1 . . . . . 46 ALA CA . 51117 1
217 . 1 . 1 46 46 ALA CB C 13 18.058 0.3 . 1 . . . . . 46 ALA CB . 51117 1
218 . 1 . 1 46 46 ALA N N 15 116.450 0.3 . 1 . . . . . 46 ALA N . 51117 1
219 . 1 . 1 47 47 THR H H 1 7.432 0.020 . 1 . . . . . 47 THR H . 51117 1
220 . 1 . 1 47 47 THR C C 13 176.638 0.3 . 1 . . . . . 47 THR C . 51117 1
221 . 1 . 1 47 47 THR CA C 13 63.322 0.3 . 1 . . . . . 47 THR CA . 51117 1
222 . 1 . 1 47 47 THR CB C 13 68.903 0.3 . 1 . . . . . 47 THR CB . 51117 1
223 . 1 . 1 47 47 THR N N 15 107.043 0.3 . 1 . . . . . 47 THR N . 51117 1
224 . 1 . 1 48 48 HIS H H 1 9.005 0.020 . 1 . . . . . 48 HIS H . 51117 1
225 . 1 . 1 48 48 HIS C C 13 176.133 0.3 . 1 . . . . . 48 HIS C . 51117 1
226 . 1 . 1 48 48 HIS CA C 13 60.110 0.3 . 1 . . . . . 48 HIS CA . 51117 1
227 . 1 . 1 48 48 HIS CB C 13 28.915 0.3 . 1 . . . . . 48 HIS CB . 51117 1
228 . 1 . 1 48 48 HIS N N 15 124.490 0.3 . 1 . . . . . 48 HIS N . 51117 1
229 . 1 . 1 49 49 LYS H H 1 8.261 0.020 . 1 . . . . . 49 LYS H . 51117 1
230 . 1 . 1 49 49 LYS C C 13 177.486 0.3 . 1 . . . . . 49 LYS C . 51117 1
231 . 1 . 1 49 49 LYS CA C 13 57.587 0.3 . 1 . . . . . 49 LYS CA . 51117 1
232 . 1 . 1 49 49 LYS CB C 13 29.068 0.3 . 1 . . . . . 49 LYS CB . 51117 1
233 . 1 . 1 49 49 LYS N N 15 112.020 0.3 . 1 . . . . . 49 LYS N . 51117 1
234 . 1 . 1 50 50 LEU H H 1 6.821 0.020 . 1 . . . . . 50 LEU H . 51117 1
235 . 1 . 1 50 50 LEU C C 13 179.061 0.3 . 1 . . . . . 50 LEU C . 51117 1
236 . 1 . 1 50 50 LEU CA C 13 56.823 0.3 . 1 . . . . . 50 LEU CA . 51117 1
237 . 1 . 1 50 50 LEU CB C 13 40.537 0.3 . 1 . . . . . 50 LEU CB . 51117 1
238 . 1 . 1 50 50 LEU N N 15 122.248 0.3 . 1 . . . . . 50 LEU N . 51117 1
239 . 1 . 1 51 51 LEU H H 1 7.659 0.020 . 1 . . . . . 51 LEU H . 51117 1
240 . 1 . 1 51 51 LEU C C 13 178.125 0.3 . 1 . . . . . 51 LEU C . 51117 1
241 . 1 . 1 51 51 LEU CA C 13 56.364 0.3 . 1 . . . . . 51 LEU CA . 51117 1
242 . 1 . 1 51 51 LEU CB C 13 41.378 0.3 . 1 . . . . . 51 LEU CB . 51117 1
243 . 1 . 1 51 51 LEU N N 15 118.091 0.3 . 1 . . . . . 51 LEU N . 51117 1
244 . 1 . 1 52 52 HIS H H 1 7.009 0.020 . 1 . . . . . 52 HIS H . 51117 1
245 . 1 . 1 52 52 HIS C C 13 174.735 0.3 . 1 . . . . . 52 HIS C . 51117 1
246 . 1 . 1 52 52 HIS CA C 13 54.053 0.3 . 1 . . . . . 52 HIS CA . 51117 1
247 . 1 . 1 52 52 HIS CB C 13 27.845 0.3 . 1 . . . . . 52 HIS CB . 51117 1
248 . 1 . 1 52 52 HIS N N 15 114.864 0.3 . 1 . . . . . 52 HIS N . 51117 1
249 . 1 . 1 53 53 LYS H H 1 7.306 0.020 . 1 . . . . . 53 LYS H . 51117 1
250 . 1 . 1 53 53 LYS C C 13 176.043 0.3 . 1 . . . . . 53 LYS C . 51117 1
251 . 1 . 1 53 53 LYS CA C 13 56.593 0.3 . 1 . . . . . 53 LYS CA . 51117 1
252 . 1 . 1 53 53 LYS CB C 13 32.967 0.3 . 1 . . . . . 53 LYS CB . 51117 1
253 . 1 . 1 53 53 LYS N N 15 119.513 0.3 . 1 . . . . . 53 LYS N . 51117 1
254 . 1 . 1 54 54 LYS H H 1 8.042 0.020 . 1 . . . . . 54 LYS H . 51117 1
255 . 1 . 1 54 54 LYS C C 13 176.489 0.3 . 1 . . . . . 54 LYS C . 51117 1
256 . 1 . 1 54 54 LYS CA C 13 56.440 0.3 . 1 . . . . . 54 LYS CA . 51117 1
257 . 1 . 1 54 54 LYS CB C 13 32.904 0.3 . 1 . . . . . 54 LYS CB . 51117 1
258 . 1 . 1 54 54 LYS N N 15 121.375 0.3 . 1 . . . . . 54 LYS N . 51117 1
259 . 1 . 1 55 55 ALA H H 1 8.198 0.020 . 1 . . . . . 55 ALA H . 51117 1
260 . 1 . 1 55 55 ALA C C 13 177.813 0.3 . 1 . . . . . 55 ALA C . 51117 1
261 . 1 . 1 55 55 ALA CA C 13 52.617 0.3 . 1 . . . . . 55 ALA CA . 51117 1
262 . 1 . 1 55 55 ALA CB C 13 19.434 0.3 . 1 . . . . . 55 ALA CB . 51117 1
263 . 1 . 1 55 55 ALA N N 15 124.806 0.3 . 1 . . . . . 55 ALA N . 51117 1
264 . 1 . 1 56 56 LYS H H 1 8.230 0.020 . 1 . . . . . 56 LYS H . 51117 1
265 . 1 . 1 56 56 LYS C C 13 176.281 0.3 . 1 . . . . . 56 LYS C . 51117 1
266 . 1 . 1 56 56 LYS CA C 13 56.670 0.3 . 1 . . . . . 56 LYS CA . 51117 1
267 . 1 . 1 56 56 LYS CB C 13 32.891 0.3 . 1 . . . . . 56 LYS CB . 51117 1
268 . 1 . 1 56 56 LYS N N 15 120.005 0.3 . 1 . . . . . 56 LYS N . 51117 1
269 . 1 . 1 57 57 ASP H H 1 8.319 0.020 . 1 . . . . . 57 ASP H . 51117 1
270 . 1 . 1 57 57 ASP C C 13 175.895 0.3 . 1 . . . . . 57 ASP C . 51117 1
271 . 1 . 1 57 57 ASP CA C 13 54.376 0.3 . 1 . . . . . 57 ASP CA . 51117 1
272 . 1 . 1 57 57 ASP CB C 13 40.919 0.3 . 1 . . . . . 57 ASP CB . 51117 1
273 . 1 . 1 57 57 ASP N N 15 121.044 0.3 . 1 . . . . . 57 ASP N . 51117 1
274 . 1 . 1 58 58 GLU H H 1 8.167 0.020 . 1 . . . . . 58 GLU H . 51117 1
275 . 1 . 1 58 58 GLU C C 13 175.449 0.3 . 1 . . . . . 58 GLU C . 51117 1
276 . 1 . 1 58 58 GLU CA C 13 56.517 0.3 . 1 . . . . . 58 GLU CA . 51117 1
277 . 1 . 1 58 58 GLU CB C 13 30.444 0.3 . 1 . . . . . 58 GLU CB . 51117 1
278 . 1 . 1 58 58 GLU N N 15 121.428 0.3 . 1 . . . . . 58 GLU N . 51117 1
279 . 1 . 1 59 59 LYS H H 1 7.987 0.020 . 1 . . . . . 59 LYS H . 51117 1
280 . 1 . 1 59 59 LYS CA C 13 57.664 0.3 . 1 . . . . . 59 LYS CA . 51117 1
281 . 1 . 1 59 59 LYS CB C 13 33.502 0.3 . 1 . . . . . 59 LYS CB . 51117 1
282 . 1 . 1 59 59 LYS N N 15 127.608 0.3 . 1 . . . . . 59 LYS N . 51117 1
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