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 51959
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'minor state backbone chemical 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
;
Backbone chemical shifts of the minor state derived from CEST and CPMG profiles,
from which we could accurately obtain Do between major and minor conformations.
;
_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 '13CO CEST' . . . 51959 2
2 '13CA CEST' . . . 51959 2
3 'HACACONNH 13 CA CEST' . . . 51959 2
4 '1HN CEST' . . . 51959 2
5 '1HN CEST' . . . 51959 2
6 '15N CEST' . . . 51959 2
7 '15N CPMG' . . . 51959 2
8 '15N CPMG' . . . 51959 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 . . 51959 2
2 $software_2 . . 51959 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 ASP C C 13 176.012 0.000 . 1 . . . . . 2 ASP C . 51959 2
2 . 1 . 1 2 2 ASP CA C 13 54.370 0.000 . 1 . . . . . 2 ASP CA . 51959 2
3 . 1 . 1 3 3 LYS H H 1 8.413 0.000 . 1 . . . . . 3 LYS H . 51959 2
4 . 1 . 1 3 3 LYS C C 13 176.471 0.000 . 1 . . . . . 3 LYS C . 51959 2
5 . 1 . 1 3 3 LYS CA C 13 56.337 0.000 . 1 . . . . . 3 LYS CA . 51959 2
6 . 1 . 1 3 3 LYS N N 15 121.683 0.000 . 1 . . . . . 3 LYS N . 51959 2
7 . 1 . 1 4 4 GLN H H 1 8.533 0.000 . 1 . . . . . 4 GLN H . 51959 2
8 . 1 . 1 4 4 GLN C C 13 176.159 0.000 . 1 . . . . . 4 GLN C . 51959 2
9 . 1 . 1 4 4 GLN CA C 13 55.741 0.000 . 1 . . . . . 4 GLN CA . 51959 2
10 . 1 . 1 4 4 GLN N N 15 121.755 0.000 . 1 . . . . . 4 GLN N . 51959 2
11 . 1 . 1 5 5 THR H H 1 8.181 0.000 . 1 . . . . . 5 THR H . 51959 2
12 . 1 . 1 5 5 THR C C 13 174.265 0.000 . 1 . . . . . 5 THR C . 51959 2
13 . 1 . 1 5 5 THR CA C 13 61.857 0.000 . 1 . . . . . 5 THR CA . 51959 2
14 . 1 . 1 5 5 THR N N 15 115.348 0.000 . 1 . . . . . 5 THR N . 51959 2
15 . 1 . 1 6 6 HIS H H 1 8.427 0.000 . 1 . . . . . 6 HIS H . 51959 2
16 . 1 . 1 6 6 HIS C C 13 174.867 0.000 . 1 . . . . . 6 HIS C . 51959 2
17 . 1 . 1 6 6 HIS CA C 13 55.654 0.000 . 1 . . . . . 6 HIS CA . 51959 2
18 . 1 . 1 6 6 HIS N N 15 120.842 0.000 . 1 . . . . . 6 HIS N . 51959 2
19 . 1 . 1 7 7 GLU H H 1 8.509 0.000 . 1 . . . . . 7 GLU H . 51959 2
20 . 1 . 1 7 7 GLU C C 13 176.529 0.000 . 1 . . . . . 7 GLU C . 51959 2
21 . 1 . 1 7 7 GLU CA C 13 56.982 0.000 . 1 . . . . . 7 GLU CA . 51959 2
22 . 1 . 1 7 7 GLU N N 15 122.446 0.000 . 1 . . . . . 7 GLU N . 51959 2
23 . 1 . 1 8 8 THR H H 1 8.169 0.000 . 1 . . . . . 8 THR H . 51959 2
24 . 1 . 1 8 8 THR C C 13 174.238 0.000 . 1 . . . . . 8 THR C . 51959 2
25 . 1 . 1 8 8 THR CA C 13 61.810 0.000 . 1 . . . . . 8 THR CA . 51959 2
26 . 1 . 1 8 8 THR N N 15 114.776 0.000 . 1 . . . . . 8 THR N . 51959 2
27 . 1 . 1 9 9 GLU H H 1 8.444 0.000 . 1 . . . . . 9 GLU H . 51959 2
28 . 1 . 1 9 9 GLU C C 13 176.136 0.000 . 1 . . . . . 9 GLU C . 51959 2
29 . 1 . 1 9 9 GLU CA C 13 56.412 0.000 . 1 . . . . . 9 GLU CA . 51959 2
30 . 1 . 1 9 9 GLU N N 15 123.866 0.000 . 1 . . . . . 9 GLU N . 51959 2
31 . 1 . 1 10 10 LEU H H 1 8.149 0.000 . 1 . . . . . 10 LEU H . 51959 2
32 . 1 . 1 10 10 LEU C C 13 177.281 0.000 . 1 . . . . . 10 LEU C . 51959 2
33 . 1 . 1 10 10 LEU CA C 13 54.685 0.000 . 1 . . . . . 10 LEU CA . 51959 2
34 . 1 . 1 10 10 LEU N N 15 123.179 0.000 . 1 . . . . . 10 LEU N . 51959 2
35 . 1 . 1 11 11 THR H H 1 8.076 0.011 . 1 . . . . . 11 THR H . 51959 2
36 . 1 . 1 11 11 THR C C 13 174.402 0.000 . 1 . . . . . 11 THR C . 51959 2
37 . 1 . 1 11 11 THR CA C 13 60.060 0.196 . 1 . . . . . 11 THR CA . 51959 2
38 . 1 . 1 11 11 THR N N 15 113.350 0.601 . 1 . . . . . 11 THR N . 51959 2
39 . 1 . 1 12 12 PHE H H 1 8.287 0.002 . 1 . . . . . 12 PHE H . 51959 2
40 . 1 . 1 12 12 PHE C C 13 175.900 0.494 . 1 . . . . . 12 PHE C . 51959 2
41 . 1 . 1 12 12 PHE CA C 13 58.844 0.168 . 1 . . . . . 12 PHE CA . 51959 2
42 . 1 . 1 12 12 PHE N N 15 122.489 0.000 . 1 . . . . . 12 PHE N . 51959 2
43 . 1 . 1 13 13 ASP H H 1 8.286 0.014 . 1 . . . . . 13 ASP H . 51959 2
44 . 1 . 1 13 13 ASP C C 13 176.720 0.314 . 1 . . . . . 13 ASP C . 51959 2
45 . 1 . 1 13 13 ASP CA C 13 55.250 0.119 . 1 . . . . . 13 ASP CA . 51959 2
46 . 1 . 1 13 13 ASP N N 15 120.966 0.054 . 1 . . . . . 13 ASP N . 51959 2
47 . 1 . 1 14 14 GLN H H 1 8.079 0.003 . 1 . . . . . 14 GLN H . 51959 2
48 . 1 . 1 14 14 GLN C C 13 176.853 0.300 . 1 . . . . . 14 GLN C . 51959 2
49 . 1 . 1 14 14 GLN CA C 13 56.996 0.155 . 1 . . . . . 14 GLN CA . 51959 2
50 . 1 . 1 14 14 GLN N N 15 118.713 0.180 . 1 . . . . . 14 GLN N . 51959 2
51 . 1 . 1 15 15 VAL H H 1 8.089 0.008 . 1 . . . . . 15 VAL H . 51959 2
52 . 1 . 1 15 15 VAL C C 13 177.303 0.356 . 1 . . . . . 15 VAL C . 51959 2
53 . 1 . 1 15 15 VAL CA C 13 63.732 0.185 . 1 . . . . . 15 VAL CA . 51959 2
54 . 1 . 1 15 15 VAL N N 15 121.476 0.173 . 1 . . . . . 15 VAL N . 51959 2
55 . 1 . 1 16 16 LYS H H 1 8.242 0.016 . 1 . . . . . 16 LYS H . 51959 2
56 . 1 . 1 16 16 LYS CA C 13 57.438 0.245 . 1 . . . . . 16 LYS CA . 51959 2
57 . 1 . 1 16 16 LYS N N 15 123.733 0.046 . 1 . . . . . 16 LYS N . 51959 2
58 . 1 . 1 17 17 GLU H H 1 8.196 0.016 . 1 . . . . . 17 GLU H . 51959 2
59 . 1 . 1 17 17 GLU C C 13 176.930 0.300 . 1 . . . . . 17 GLU C . 51959 2
60 . 1 . 1 17 17 GLU CA C 13 57.746 0.453 . 1 . . . . . 17 GLU CA . 51959 2
61 . 1 . 1 17 17 GLU N N 15 121.111 0.055 . 1 . . . . . 17 GLU N . 51959 2
62 . 1 . 1 18 18 GLN H H 1 8.153 0.030 . 1 . . . . . 18 GLN H . 51959 2
63 . 1 . 1 18 18 GLN C C 13 176.406 0.209 . 1 . . . . . 18 GLN C . 51959 2
64 . 1 . 1 18 18 GLN CA C 13 56.501 0.120 . 1 . . . . . 18 GLN CA . 51959 2
65 . 1 . 1 18 18 GLN N N 15 120.845 0.042 . 1 . . . . . 18 GLN N . 51959 2
66 . 1 . 1 19 19 LEU H H 1 8.225 0.005 . 1 . . . . . 19 LEU H . 51959 2
67 . 1 . 1 19 19 LEU C C 13 178.099 0.248 . 1 . . . . . 19 LEU C . 51959 2
68 . 1 . 1 19 19 LEU CA C 13 55.382 0.094 . 1 . . . . . 19 LEU CA . 51959 2
69 . 1 . 1 19 19 LEU N N 15 122.797 0.000 . 1 . . . . . 19 LEU N . 51959 2
70 . 1 . 1 20 20 THR H H 1 8.111 0.014 . 1 . . . . . 20 THR H . 51959 2
71 . 1 . 1 20 20 THR C C 13 175.042 0.445 . 1 . . . . . 20 THR C . 51959 2
72 . 1 . 1 20 20 THR CA C 13 62.327 0.191 . 1 . . . . . 20 THR CA . 51959 2
73 . 1 . 1 20 20 THR N N 15 115.227 0.398 . 1 . . . . . 20 THR N . 51959 2
74 . 1 . 1 21 21 GLU H H 1 8.397 0.008 . 1 . . . . . 21 GLU H . 51959 2
75 . 1 . 1 21 21 GLU C C 13 177.406 0.336 . 1 . . . . . 21 GLU C . 51959 2
76 . 1 . 1 21 21 GLU CA C 13 57.342 0.148 . 1 . . . . . 21 GLU CA . 51959 2
77 . 1 . 1 21 21 GLU N N 15 122.930 0.065 . 1 . . . . . 21 GLU N . 51959 2
78 . 1 . 1 22 22 SER H H 1 8.234 0.027 . 1 . . . . . 22 SER H . 51959 2
79 . 1 . 1 22 22 SER C C 13 175.707 0.339 . 1 . . . . . 22 SER C . 51959 2
80 . 1 . 1 22 22 SER CA C 13 59.587 0.308 . 1 . . . . . 22 SER CA . 51959 2
81 . 1 . 1 22 22 SER N N 15 116.535 0.136 . 1 . . . . . 22 SER N . 51959 2
82 . 1 . 1 23 23 GLY H H 1 8.339 0.006 . 1 . . . . . 23 GLY H . 51959 2
83 . 1 . 1 23 23 GLY C C 13 174.830 0.497 . 1 . . . . . 23 GLY C . 51959 2
84 . 1 . 1 23 23 GLY CA C 13 46.343 0.714 . 1 . . . . . 23 GLY CA . 51959 2
85 . 1 . 1 23 23 GLY N N 15 110.252 0.000 . 1 . . . . . 23 GLY N . 51959 2
86 . 1 . 1 24 24 LYS H H 1 7.941 0.003 . 1 . . . . . 24 LYS H . 51959 2
87 . 1 . 1 24 24 LYS C C 13 177.116 0.331 . 1 . . . . . 24 LYS C . 51959 2
88 . 1 . 1 24 24 LYS CA C 13 56.703 0.212 . 1 . . . . . 24 LYS CA . 51959 2
89 . 1 . 1 24 24 LYS N N 15 121.246 0.620 . 1 . . . . . 24 LYS N . 51959 2
90 . 1 . 1 25 25 LYS H H 1 8.224 0.003 . 1 . . . . . 25 LYS H . 51959 2
91 . 1 . 1 25 25 LYS C C 13 176.723 0.270 . 1 . . . . . 25 LYS C . 51959 2
92 . 1 . 1 25 25 LYS CA C 13 56.810 0.268 . 1 . . . . . 25 LYS CA . 51959 2
93 . 1 . 1 25 25 LYS N N 15 122.167 0.071 . 1 . . . . . 25 LYS N . 51959 2
94 . 1 . 1 26 26 ARG H H 1 8.274 0.003 . 1 . . . . . 26 ARG H . 51959 2
95 . 1 . 1 26 26 ARG C C 13 176.897 0.481 . 1 . . . . . 26 ARG C . 51959 2
96 . 1 . 1 26 26 ARG CA C 13 57.145 1.091 . 1 . . . . . 26 ARG CA . 51959 2
97 . 1 . 1 26 26 ARG N N 15 122.207 0.106 . 1 . . . . . 26 ARG N . 51959 2
98 . 1 . 1 27 27 GLY H H 1 8.408 0.010 . 1 . . . . . 27 GLY H . 51959 2
99 . 1 . 1 27 27 GLY C C 13 173.651 0.449 . 1 . . . . . 27 GLY C . 51959 2
100 . 1 . 1 27 27 GLY CA C 13 45.307 0.000 . 1 . . . . . 27 GLY CA . 51959 2
101 . 1 . 1 27 27 GLY N N 15 110.175 0.386 . 1 . . . . . 27 GLY N . 51959 2
102 . 1 . 1 28 28 VAL H H 1 7.923 0.003 . 1 . . . . . 28 VAL H . 51959 2
103 . 1 . 1 28 28 VAL C C 13 175.912 0.279 . 1 . . . . . 28 VAL C . 51959 2
104 . 1 . 1 28 28 VAL CA C 13 61.587 0.129 . 1 . . . . . 28 VAL CA . 51959 2
105 . 1 . 1 28 28 VAL N N 15 119.049 0.057 . 1 . . . . . 28 VAL N . 51959 2
106 . 1 . 1 29 29 LEU H H 1 8.247 0.000 . 1 . . . . . 29 LEU H . 51959 2
107 . 1 . 1 29 29 LEU C C 13 177.276 0.337 . 1 . . . . . 29 LEU C . 51959 2
108 . 1 . 1 29 29 LEU CA C 13 53.315 0.000 . 1 . . . . . 29 LEU CA . 51959 2
109 . 1 . 1 29 29 LEU N N 15 125.759 0.035 . 1 . . . . . 29 LEU N . 51959 2
110 . 1 . 1 30 30 THR H H 1 8.241 0.020 . 1 . . . . . 30 THR H . 51959 2
111 . 1 . 1 30 30 THR C C 13 174.695 0.336 . 1 . . . . . 30 THR C . 51959 2
112 . 1 . 1 30 30 THR CA C 13 60.802 0.136 . 1 . . . . . 30 THR CA . 51959 2
113 . 1 . 1 30 30 THR N N 15 113.109 0.353 . 1 . . . . . 30 THR N . 51959 2
114 . 1 . 1 31 31 TYR H H 1 8.419 0.000 . 1 . . . . . 31 TYR H . 51959 2
115 . 1 . 1 31 31 TYR C C 13 176.674 0.307 . 1 . . . . . 31 TYR C . 51959 2
116 . 1 . 1 31 31 TYR CA C 13 59.846 0.127 . 1 . . . . . 31 TYR CA . 51959 2
117 . 1 . 1 31 31 TYR N N 15 121.426 0.082 . 1 . . . . . 31 TYR N . 51959 2
118 . 1 . 1 32 32 GLU H H 1 8.441 0.024 . 1 . . . . . 32 GLU H . 51959 2
119 . 1 . 1 32 32 GLU C C 13 177.355 0.366 . 1 . . . . . 32 GLU C . 51959 2
120 . 1 . 1 32 32 GLU CA C 13 58.182 0.208 . 1 . . . . . 32 GLU CA . 51959 2
121 . 1 . 1 32 32 GLU N N 15 121.089 0.059 . 1 . . . . . 32 GLU N . 51959 2
122 . 1 . 1 33 33 GLU H H 1 8.045 0.003 . 1 . . . . . 33 GLU H . 51959 2
123 . 1 . 1 33 33 GLU C C 13 178.149 0.400 . 1 . . . . . 33 GLU C . 51959 2
124 . 1 . 1 33 33 GLU CA C 13 57.735 0.319 . 1 . . . . . 33 GLU CA . 51959 2
125 . 1 . 1 33 33 GLU N N 15 121.448 0.129 . 1 . . . . . 33 GLU N . 51959 2
126 . 1 . 1 34 34 ILE H H 1 8.011 0.005 . 1 . . . . . 34 ILE H . 51959 2
127 . 1 . 1 34 34 ILE C C 13 177.278 0.000 . 1 . . . . . 34 ILE C . 51959 2
128 . 1 . 1 34 34 ILE CA C 13 63.242 0.132 . 1 . . . . . 34 ILE CA . 51959 2
129 . 1 . 1 34 34 ILE N N 15 121.121 0.000 . 1 . . . . . 34 ILE N . 51959 2
130 . 1 . 1 35 35 ALA H H 1 8.143 0.016 . 1 . . . . . 35 ALA H . 51959 2
131 . 1 . 1 35 35 ALA C C 13 179.296 0.362 . 1 . . . . . 35 ALA C . 51959 2
132 . 1 . 1 35 35 ALA CA C 13 54.012 0.165 . 1 . . . . . 35 ALA CA . 51959 2
133 . 1 . 1 35 35 ALA N N 15 125.502 0.045 . 1 . . . . . 35 ALA N . 51959 2
134 . 1 . 1 36 36 GLU H H 1 8.173 0.000 . 1 . . . . . 36 GLU H . 51959 2
135 . 1 . 1 36 36 GLU C C 13 177.442 0.253 . 1 . . . . . 36 GLU C . 51959 2
136 . 1 . 1 36 36 GLU CA C 13 57.934 0.168 . 1 . . . . . 36 GLU CA . 51959 2
137 . 1 . 1 36 36 GLU N N 15 118.689 0.204 . 1 . . . . . 36 GLU N . 51959 2
138 . 1 . 1 37 37 ARG H H 1 8.010 0.000 . 1 . . . . . 37 ARG H . 51959 2
139 . 1 . 1 37 37 ARG CA C 13 57.474 0.000 . 1 . . . . . 37 ARG CA . 51959 2
140 . 1 . 1 37 37 ARG N N 15 120.683 0.045 . 1 . . . . . 37 ARG N . 51959 2
141 . 1 . 1 38 38 MET C C 13 177.001 0.507 . 1 . . . . . 38 MET C . 51959 2
142 . 1 . 1 38 38 MET CA C 13 55.886 0.000 . 1 . . . . . 38 MET CA . 51959 2
143 . 1 . 1 38 38 MET N N 15 119.800 0.076 . 1 . . . . . 38 MET N . 51959 2
144 . 1 . 1 39 39 SER H H 1 8.168 0.001 . 1 . . . . . 39 SER H . 51959 2
145 . 1 . 1 39 39 SER C C 13 174.935 0.743 . 1 . . . . . 39 SER C . 51959 2
146 . 1 . 1 39 39 SER CA C 13 59.250 0.384 . 1 . . . . . 39 SER CA . 51959 2
147 . 1 . 1 39 39 SER N N 15 115.944 0.000 . 1 . . . . . 39 SER N . 51959 2
148 . 1 . 1 40 40 SER H H 1 8.016 0.000 . 1 . . . . . 40 SER H . 51959 2
149 . 1 . 1 40 40 SER C C 13 173.764 0.022 . 1 . . . . . 40 SER C . 51959 2
150 . 1 . 1 40 40 SER CA C 13 59.000 1.080 . 1 . . . . . 40 SER CA . 51959 2
151 . 1 . 1 40 40 SER N N 15 117.137 0.094 . 1 . . . . . 40 SER N . 51959 2
152 . 1 . 1 41 41 PHE H H 1 8.008 0.006 . 1 . . . . . 41 PHE H . 51959 2
153 . 1 . 1 41 41 PHE C C 13 174.931 0.432 . 1 . . . . . 41 PHE C . 51959 2
154 . 1 . 1 41 41 PHE CA C 13 57.167 0.000 . 1 . . . . . 41 PHE CA . 51959 2
155 . 1 . 1 41 41 PHE N N 15 121.443 0.050 . 1 . . . . . 41 PHE N . 51959 2
156 . 1 . 1 42 42 GLU H H 1 8.201 0.005 . 1 . . . . . 42 GLU H . 51959 2
157 . 1 . 1 42 42 GLU C C 13 175.801 0.304 . 1 . . . . . 42 GLU C . 51959 2
158 . 1 . 1 42 42 GLU CA C 13 56.016 0.000 . 1 . . . . . 42 GLU CA . 51959 2
159 . 1 . 1 42 42 GLU N N 15 121.595 0.078 . 1 . . . . . 42 GLU N . 51959 2
160 . 1 . 1 43 43 ILE H H 1 8.146 0.000 . 1 . . . . . 43 ILE H . 51959 2
161 . 1 . 1 43 43 ILE C C 13 176.279 0.000 . 1 . . . . . 43 ILE C . 51959 2
162 . 1 . 1 43 43 ILE CA C 13 60.205 0.404 . 1 . . . . . 43 ILE CA . 51959 2
163 . 1 . 1 43 43 ILE N N 15 121.460 0.081 . 1 . . . . . 43 ILE N . 51959 2
164 . 1 . 1 44 44 GLU H H 1 8.458 0.011 . 1 . . . . . 44 GLU H . 51959 2
165 . 1 . 1 44 44 GLU C C 13 177.361 0.411 . 1 . . . . . 44 GLU C . 51959 2
166 . 1 . 1 44 44 GLU CA C 13 55.935 0.000 . 1 . . . . . 44 GLU CA . 51959 2
167 . 1 . 1 44 44 GLU N N 15 125.122 0.227 . 1 . . . . . 44 GLU N . 51959 2
168 . 1 . 1 45 45 SER H H 1 8.278 0.002 . 1 . . . . . 45 SER H . 51959 2
169 . 1 . 1 45 45 SER C C 13 174.602 0.412 . 1 . . . . . 45 SER C . 51959 2
170 . 1 . 1 45 45 SER CA C 13 59.285 0.183 . 1 . . . . . 45 SER CA . 51959 2
171 . 1 . 1 45 45 SER N N 15 116.925 0.097 . 1 . . . . . 45 SER N . 51959 2
172 . 1 . 1 46 46 ASP H H 1 8.360 0.004 . 1 . . . . . 46 ASP H . 51959 2
173 . 1 . 1 46 46 ASP C C 13 176.440 0.298 . 1 . . . . . 46 ASP C . 51959 2
174 . 1 . 1 46 46 ASP CA C 13 54.955 0.127 . 1 . . . . . 46 ASP CA . 51959 2
175 . 1 . 1 46 46 ASP N N 15 122.298 0.053 . 1 . . . . . 46 ASP N . 51959 2
176 . 1 . 1 47 47 GLN H H 1 8.178 0.007 . 1 . . . . . 47 GLN H . 51959 2
177 . 1 . 1 47 47 GLN C C 13 176.299 0.231 . 1 . . . . . 47 GLN C . 51959 2
178 . 1 . 1 47 47 GLN CA C 13 56.390 0.194 . 1 . . . . . 47 GLN CA . 51959 2
179 . 1 . 1 47 47 GLN N N 15 118.715 0.000 . 1 . . . . . 47 GLN N . 51959 2
180 . 1 . 1 48 48 MET H H 1 8.253 0.027 . 1 . . . . . 48 MET H . 51959 2
181 . 1 . 1 48 48 MET C C 13 176.381 0.384 . 1 . . . . . 48 MET C . 51959 2
182 . 1 . 1 48 48 MET CA C 13 56.325 0.000 . 1 . . . . . 48 MET CA . 51959 2
183 . 1 . 1 48 48 MET N N 15 121.012 0.000 . 1 . . . . . 48 MET N . 51959 2
184 . 1 . 1 49 49 ASP H H 1 8.354 0.004 . 1 . . . . . 49 ASP H . 51959 2
185 . 1 . 1 49 49 ASP C C 13 176.618 0.313 . 1 . . . . . 49 ASP C . 51959 2
186 . 1 . 1 49 49 ASP CA C 13 55.627 0.181 . 1 . . . . . 49 ASP CA . 51959 2
187 . 1 . 1 49 49 ASP N N 15 121.333 0.055 . 1 . . . . . 49 ASP N . 51959 2
188 . 1 . 1 50 50 GLU H H 1 8.284 0.004 . 1 . . . . . 50 GLU H . 51959 2
189 . 1 . 1 50 50 GLU C C 13 176.419 0.257 . 1 . . . . . 50 GLU C . 51959 2
190 . 1 . 1 50 50 GLU CA C 13 57.541 0.147 . 1 . . . . . 50 GLU CA . 51959 2
191 . 1 . 1 50 50 GLU N N 15 120.810 0.052 . 1 . . . . . 50 GLU N . 51959 2
192 . 1 . 1 51 51 TYR H H 1 8.051 0.008 . 1 . . . . . 51 TYR H . 51959 2
193 . 1 . 1 51 51 TYR C C 13 175.743 0.430 . 1 . . . . . 51 TYR C . 51959 2
194 . 1 . 1 51 51 TYR CA C 13 58.874 0.471 . 1 . . . . . 51 TYR CA . 51959 2
195 . 1 . 1 51 51 TYR N N 15 121.304 0.124 . 1 . . . . . 51 TYR N . 51959 2
196 . 1 . 1 52 52 TYR H H 1 7.822 0.012 . 1 . . . . . 52 TYR H . 51959 2
197 . 1 . 1 52 52 TYR C C 13 175.852 0.184 . 1 . . . . . 52 TYR C . 51959 2
198 . 1 . 1 52 52 TYR CA C 13 58.468 0.000 . 1 . . . . . 52 TYR CA . 51959 2
199 . 1 . 1 52 52 TYR N N 15 121.837 0.079 . 1 . . . . . 52 TYR N . 51959 2
200 . 1 . 1 53 53 GLU H H 1 8.126 0.000 . 1 . . . . . 53 GLU H . 51959 2
201 . 1 . 1 53 53 GLU C C 13 176.109 0.230 . 1 . . . . . 53 GLU C . 51959 2
202 . 1 . 1 53 53 GLU CA C 13 57.055 0.107 . 1 . . . . . 53 GLU CA . 51959 2
203 . 1 . 1 53 53 GLU N N 15 122.416 0.056 . 1 . . . . . 53 GLU N . 51959 2
204 . 1 . 1 54 54 PHE H H 1 8.086 0.009 . 1 . . . . . 54 PHE H . 51959 2
205 . 1 . 1 54 54 PHE C C 13 176.613 0.432 . 1 . . . . . 54 PHE C . 51959 2
206 . 1 . 1 54 54 PHE CA C 13 58.461 0.123 . 1 . . . . . 54 PHE CA . 51959 2
207 . 1 . 1 54 54 PHE N N 15 121.454 0.080 . 1 . . . . . 54 PHE N . 51959 2
208 . 1 . 1 55 55 LEU H H 1 8.047 0.005 . 1 . . . . . 55 LEU H . 51959 2
209 . 1 . 1 55 55 LEU C C 13 177.913 0.389 . 1 . . . . . 55 LEU C . 51959 2
210 . 1 . 1 55 55 LEU CA C 13 56.131 0.089 . 1 . . . . . 55 LEU CA . 51959 2
211 . 1 . 1 55 55 LEU N N 15 124.239 0.081 . 1 . . . . . 55 LEU N . 51959 2
212 . 1 . 1 56 56 GLY H H 1 7.804 0.000 . 1 . . . . . 56 GLY H . 51959 2
213 . 1 . 1 56 56 GLY C C 13 174.149 0.162 . 1 . . . . . 56 GLY C . 51959 2
214 . 1 . 1 56 56 GLY CA C 13 45.456 0.119 . 1 . . . . . 56 GLY CA . 51959 2
215 . 1 . 1 56 56 GLY N N 15 107.277 0.472 . 1 . . . . . 56 GLY N . 51959 2
216 . 1 . 1 57 57 GLU H H 1 8.204 0.007 . 1 . . . . . 57 GLU H . 51959 2
217 . 1 . 1 57 57 GLU C C 13 177.324 0.409 . 1 . . . . . 57 GLU C . 51959 2
218 . 1 . 1 57 57 GLU CA C 13 57.131 0.310 . 1 . . . . . 57 GLU CA . 51959 2
219 . 1 . 1 57 57 GLU N N 15 120.825 0.059 . 1 . . . . . 57 GLU N . 51959 2
220 . 1 . 1 58 58 GLN H H 1 8.431 0.005 . 1 . . . . . 58 GLN H . 51959 2
221 . 1 . 1 58 58 GLN C C 13 176.703 0.403 . 1 . . . . . 58 GLN C . 51959 2
222 . 1 . 1 58 58 GLN CA C 13 55.305 0.527 . 1 . . . . . 58 GLN CA . 51959 2
223 . 1 . 1 58 58 GLN N N 15 120.728 0.078 . 1 . . . . . 58 GLN N . 51959 2
224 . 1 . 1 59 59 GLY H H 1 8.377 0.046 . 1 . . . . . 59 GLY H . 51959 2
225 . 1 . 1 59 59 GLY C C 13 173.821 0.000 . 1 . . . . . 59 GLY C . 51959 2
226 . 1 . 1 59 59 GLY CA C 13 45.567 0.000 . 1 . . . . . 59 GLY CA . 51959 2
227 . 1 . 1 59 59 GLY N N 15 109.392 0.422 . 1 . . . . . 59 GLY N . 51959 2
228 . 1 . 1 60 60 VAL H H 1 7.891 0.007 . 1 . . . . . 60 VAL H . 51959 2
229 . 1 . 1 60 60 VAL C C 13 175.491 0.400 . 1 . . . . . 60 VAL C . 51959 2
230 . 1 . 1 60 60 VAL CA C 13 61.888 0.000 . 1 . . . . . 60 VAL CA . 51959 2
231 . 1 . 1 60 60 VAL N N 15 119.050 0.045 . 1 . . . . . 60 VAL N . 51959 2
232 . 1 . 1 61 61 GLU H H 1 8.450 0.005 . 1 . . . . . 61 GLU H . 51959 2
233 . 1 . 1 61 61 GLU C C 13 175.641 0.251 . 1 . . . . . 61 GLU C . 51959 2
234 . 1 . 1 61 61 GLU CA C 13 55.951 0.000 . 1 . . . . . 61 GLU CA . 51959 2
235 . 1 . 1 61 61 GLU N N 15 124.957 0.060 . 1 . . . . . 61 GLU N . 51959 2
236 . 1 . 1 62 62 LEU H H 1 8.276 0.002 . 1 . . . . . 62 LEU H . 51959 2
237 . 1 . 1 62 62 LEU C C 13 176.724 0.000 . 1 . . . . . 62 LEU C . 51959 2
238 . 1 . 1 62 62 LEU CA C 13 54.533 0.412 . 1 . . . . . 62 LEU CA . 51959 2
239 . 1 . 1 62 62 LEU N N 15 124.420 0.000 . 1 . . . . . 62 LEU N . 51959 2
240 . 1 . 1 63 63 ILE H H 1 8.121 0.010 . 1 . . . . . 63 ILE H . 51959 2
241 . 1 . 1 63 63 ILE C C 13 175.786 0.754 . 1 . . . . . 63 ILE C . 51959 2
242 . 1 . 1 63 63 ILE CA C 13 60.251 0.427 . 1 . . . . . 63 ILE CA . 51959 2
243 . 1 . 1 63 63 ILE N N 15 122.806 0.063 . 1 . . . . . 63 ILE N . 51959 2
244 . 1 . 1 64 64 SER H H 1 8.395 0.005 . 1 . . . . . 64 SER H . 51959 2
245 . 1 . 1 64 64 SER C C 13 174.842 1.020 . 1 . . . . . 64 SER C . 51959 2
246 . 1 . 1 64 64 SER CA C 13 57.077 0.074 . 1 . . . . . 64 SER CA . 51959 2
247 . 1 . 1 64 64 SER N N 15 120.369 0.053 . 1 . . . . . 64 SER N . 51959 2
248 . 1 . 1 65 65 GLU H H 1 8.512 0.007 . 1 . . . . . 65 GLU H . 51959 2
249 . 1 . 1 65 65 GLU C C 13 175.968 0.294 . 1 . . . . . 65 GLU C . 51959 2
250 . 1 . 1 65 65 GLU CA C 13 57.847 0.000 . 1 . . . . . 65 GLU CA . 51959 2
251 . 1 . 1 65 65 GLU N N 15 123.430 0.082 . 1 . . . . . 65 GLU N . 51959 2
252 . 1 . 1 66 66 ASN H H 1 8.400 0.000 . 1 . . . . . 66 ASN H . 51959 2
253 . 1 . 1 66 66 ASN C C 13 175.129 0.000 . 1 . . . . . 66 ASN C . 51959 2
254 . 1 . 1 66 66 ASN CA C 13 53.175 0.000 . 1 . . . . . 66 ASN CA . 51959 2
255 . 1 . 1 66 66 ASN N N 15 119.145 0.122 . 1 . . . . . 66 ASN N . 51959 2
256 . 1 . 1 67 67 GLU H H 1 8.258 0.000 . 1 . . . . . 67 GLU H . 51959 2
257 . 1 . 1 67 67 GLU C C 13 176.580 0.000 . 1 . . . . . 67 GLU C . 51959 2
258 . 1 . 1 67 67 GLU CA C 13 56.909 0.000 . 1 . . . . . 67 GLU CA . 51959 2
259 . 1 . 1 67 67 GLU N N 15 121.192 0.000 . 1 . . . . . 67 GLU N . 51959 2
260 . 1 . 1 68 68 GLU H H 1 8.368 0.000 . 1 . . . . . 68 GLU H . 51959 2
261 . 1 . 1 68 68 GLU C C 13 176.748 0.000 . 1 . . . . . 68 GLU C . 51959 2
262 . 1 . 1 68 68 GLU CA C 13 56.779 0.000 . 1 . . . . . 68 GLU CA . 51959 2
263 . 1 . 1 68 68 GLU N N 15 121.610 0.000 . 1 . . . . . 68 GLU N . 51959 2
264 . 1 . 1 69 69 THR H H 1 8.072 0.000 . 1 . . . . . 69 THR H . 51959 2
265 . 1 . 1 69 69 THR C C 13 174.654 0.000 . 1 . . . . . 69 THR C . 51959 2
266 . 1 . 1 69 69 THR CA C 13 61.918 0.000 . 1 . . . . . 69 THR CA . 51959 2
267 . 1 . 1 69 69 THR N N 15 114.690 0.000 . 1 . . . . . 69 THR N . 51959 2
268 . 1 . 1 70 70 GLU H H 1 8.381 0.000 . 1 . . . . . 70 GLU H . 51959 2
269 . 1 . 1 70 70 GLU C C 13 176.070 0.000 . 1 . . . . . 70 GLU C . 51959 2
270 . 1 . 1 70 70 GLU CA C 13 56.866 0.000 . 1 . . . . . 70 GLU CA . 51959 2
271 . 1 . 1 70 70 GLU N N 15 122.921 0.000 . 1 . . . . . 70 GLU N . 51959 2
272 . 1 . 1 71 71 ASP H H 1 8.331 0.000 . 1 . . . . . 71 ASP H . 51959 2
273 . 1 . 1 71 71 ASP C C 13 176.467 0.000 . 1 . . . . . 71 ASP C . 51959 2
274 . 1 . 1 71 71 ASP CA C 13 53.958 0.000 . 1 . . . . . 71 ASP CA . 51959 2
275 . 1 . 1 71 71 ASP N N 15 121.243 0.000 . 1 . . . . . 71 ASP N . 51959 2
276 . 1 . 1 72 72 LEU H H 1 8.167 0.000 . 1 . . . . . 72 LEU H . 51959 2
277 . 1 . 1 72 72 LEU C C 13 178.066 0.000 . 1 . . . . . 72 LEU C . 51959 2
278 . 1 . 1 72 72 LEU CA C 13 56.178 0.000 . 1 . . . . . 72 LEU CA . 51959 2
279 . 1 . 1 72 72 LEU N N 15 122.484 0.000 . 1 . . . . . 72 LEU N . 51959 2
280 . 1 . 1 73 73 GLU H H 1 8.226 0.000 . 1 . . . . . 73 GLU H . 51959 2
281 . 1 . 1 73 73 GLU CA C 13 57.029 0.000 . 1 . . . . . 73 GLU CA . 51959 2
282 . 1 . 1 73 73 GLU N N 15 118.596 0.000 . 1 . . . . . 73 GLU N . 51959 2
283 . 1 . 1 74 74 HIS H H 1 7.993 0.000 . 1 . . . . . 74 HIS H . 51959 2
284 . 1 . 1 74 74 HIS N N 15 117.038 0.000 . 1 . . . . . 74 HIS N . 51959 2
285 . 1 . 1 75 75 HIS H H 1 8.226 0.000 . 1 . . . . . 75 HIS H . 51959 2
286 . 1 . 1 75 75 HIS N N 15 118.596 0.000 . 1 . . . . . 75 HIS N . 51959 2
287 . 1 . 1 76 76 HIS H H 1 8.478 0.000 . 1 . . . . . 76 HIS H . 51959 2
288 . 1 . 1 76 76 HIS N N 15 119.515 0.000 . 1 . . . . . 76 HIS N . 51959 2
289 . 1 . 1 77 77 HIS H H 1 8.189 0.000 . 1 . . . . . 77 HIS H . 51959 2
290 . 1 . 1 77 77 HIS N N 15 125.326 0.000 . 1 . . . . . 77 HIS N . 51959 2
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