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 52728
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name PCRD-WT-STARfile
_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' . . . 52728 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 . . 52728 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 ALA H H 1 8.192 0.004 . 1 . . . . . 1616 A H . 52728 1
2 . 1 . 1 1 1 ALA HA H 1 4.263 0.024 . 1 . . . . . 1616 A HA . 52728 1
3 . 1 . 1 1 1 ALA HB1 H 1 1.376 0.009 . 1 . . . . . 1616 A HB . 52728 1
4 . 1 . 1 1 1 ALA HB2 H 1 1.376 0.009 . 1 . . . . . 1616 A HB . 52728 1
5 . 1 . 1 1 1 ALA HB3 H 1 1.376 0.009 . 1 . . . . . 1616 A HB . 52728 1
6 . 1 . 1 1 1 ALA C C 13 177.653 0.000 . 1 . . . . . 1616 A C . 52728 1
7 . 1 . 1 1 1 ALA CA C 13 52.648 0.026 . 1 . . . . . 1616 A CA . 52728 1
8 . 1 . 1 1 1 ALA CB C 13 19.176 0.012 . 1 . . . . . 1616 A CB . 52728 1
9 . 1 . 1 1 1 ALA N N 15 125.000 0.018 . 1 . . . . . 1616 A N . 52728 1
10 . 1 . 1 2 2 LEU H H 1 8.146 0.008 . 1 . . . . . 1617 L H . 52728 1
11 . 1 . 1 2 2 LEU HA H 1 4.269 0.116 . 1 . . . . . 1617 L HA . 52728 1
12 . 1 . 1 2 2 LEU HB2 H 1 1.603 0.036 . 2 . . . . . 1617 L HB2 . 52728 1
13 . 1 . 1 2 2 LEU C C 13 178.493 0.000 . 1 . . . . . 1617 L C . 52728 1
14 . 1 . 1 2 2 LEU CA C 13 56.010 0.358 . 1 . . . . . 1617 L CA . 52728 1
15 . 1 . 1 2 2 LEU CB C 13 42.197 0.162 . 1 . . . . . 1617 L CB . 52728 1
16 . 1 . 1 2 2 LEU N N 15 121.078 0.045 . 1 . . . . . 1617 L N . 52728 1
17 . 1 . 1 3 3 GLN H H 1 8.084 0.003 . 1 . . . . . 1618 Q H . 52728 1
18 . 1 . 1 3 3 GLN HA H 1 4.080 0.000 . 1 . . . . . 1618 Q HA . 52728 1
19 . 1 . 1 3 3 GLN HB2 H 1 2.032 0.000 . 2 . . . . . 1618 Q HB2 . 52728 1
20 . 1 . 1 3 3 GLN C C 13 176.822 0.000 . 1 . . . . . 1618 Q C . 52728 1
21 . 1 . 1 3 3 GLN CA C 13 57.023 0.306 . 1 . . . . . 1618 Q CA . 52728 1
22 . 1 . 1 3 3 GLN CB C 13 29.031 0.027 . 1 . . . . . 1618 Q CB . 52728 1
23 . 1 . 1 3 3 GLN N N 15 119.776 0.042 . 1 . . . . . 1618 Q N . 52728 1
24 . 1 . 1 4 4 ALA H H 1 8.064 0.003 . 1 . . . . . 1619 A H . 52728 1
25 . 1 . 1 4 4 ALA HA H 1 4.204 0.042 . 1 . . . . . 1619 A HA . 52728 1
26 . 1 . 1 4 4 ALA HB1 H 1 1.405 0.008 . 1 . . . . . 1619 A HB . 52728 1
27 . 1 . 1 4 4 ALA HB2 H 1 1.405 0.008 . 1 . . . . . 1619 A HB . 52728 1
28 . 1 . 1 4 4 ALA HB3 H 1 1.405 0.008 . 1 . . . . . 1619 A HB . 52728 1
29 . 1 . 1 4 4 ALA C C 13 178.594 0.000 . 1 . . . . . 1619 A C . 52728 1
30 . 1 . 1 4 4 ALA CA C 13 53.475 0.158 . 1 . . . . . 1619 A CA . 52728 1
31 . 1 . 1 4 4 ALA CB C 13 18.718 0.129 . 1 . . . . . 1619 A CB . 52728 1
32 . 1 . 1 4 4 ALA N N 15 124.070 0.049 . 1 . . . . . 1619 A N . 52728 1
33 . 1 . 1 5 5 GLY H H 1 8.173 0.003 . 1 . . . . . 1620 G H . 52728 1
34 . 1 . 1 5 5 GLY HA2 H 1 3.918 0.000 . 2 . . . . . 1620 G HA2 . 52728 1
35 . 1 . 1 5 5 GLY C C 13 174.554 0.000 . 1 . . . . . 1620 G C . 52728 1
36 . 1 . 1 5 5 GLY CA C 13 45.618 0.007 . 1 . . . . . 1620 G CA . 52728 1
37 . 1 . 1 5 5 GLY N N 15 107.603 0.030 . 1 . . . . . 1620 G N . 52728 1
38 . 1 . 1 6 6 LEU H H 1 7.949 0.007 . 1 . . . . . 1621 L H . 52728 1
39 . 1 . 1 6 6 LEU HA H 1 4.259 0.000 . 1 . . . . . 1621 L HA . 52728 1
40 . 1 . 1 6 6 LEU HB2 H 1 1.705 0.000 . 2 . . . . . 1621 L HB2 . 52728 1
41 . 1 . 1 6 6 LEU CA C 13 55.867 0.000 . 1 . . . . . 1621 L CA . 52728 1
42 . 1 . 1 6 6 LEU CB C 13 42.322 0.000 . 1 . . . . . 1621 L CB . 52728 1
43 . 1 . 1 6 6 LEU N N 15 121.734 0.033 . 1 . . . . . 1621 L N . 52728 1
44 . 1 . 1 9 9 LEU HA H 1 4.270 0.000 . 1 . . . . . 1624 L HA . 52728 1
45 . 1 . 1 9 9 LEU HB2 H 1 1.624 0.000 . 2 . . . . . 1624 L HB2 . 52728 1
46 . 1 . 1 9 9 LEU C C 13 177.745 0.000 . 1 . . . . . 1624 L C . 52728 1
47 . 1 . 1 9 9 LEU CA C 13 56.003 0.000 . 1 . . . . . 1624 L CA . 52728 1
48 . 1 . 1 9 9 LEU CB C 13 42.016 0.016 . 1 . . . . . 1624 L CB . 52728 1
49 . 1 . 1 10 10 GLN H H 1 8.153 0.004 . 1 . . . . . 1625 Q H . 52728 1
50 . 1 . 1 10 10 GLN HA H 1 4.235 0.000 . 1 . . . . . 1625 Q HA . 52728 1
51 . 1 . 1 10 10 GLN HB2 H 1 2.042 0.000 . 2 . . . . . 1625 Q HB2 . 52728 1
52 . 1 . 1 10 10 GLN CA C 13 56.347 0.000 . 1 . . . . . 1625 Q CA . 52728 1
53 . 1 . 1 10 10 GLN CB C 13 29.284 0.000 . 1 . . . . . 1625 Q CB . 52728 1
54 . 1 . 1 10 10 GLN N N 15 119.296 0.020 . 1 . . . . . 1625 Q N . 52728 1
55 . 1 . 1 11 11 ASP HA H 1 4.588 0.000 . 1 . . . . . 1626 D HA . 52728 1
56 . 1 . 1 11 11 ASP HB2 H 1 2.741 0.000 . 2 . . . . . 1626 D HB2 . 52728 1
57 . 1 . 1 11 11 ASP HB3 H 1 2.660 0.000 . 2 . . . . . 1626 D HB3 . 52728 1
58 . 1 . 1 11 11 ASP C C 13 176.071 0.000 . 1 . . . . . 1626 D C . 52728 1
59 . 1 . 1 11 11 ASP CA C 13 54.560 0.000 . 1 . . . . . 1626 D CA . 52728 1
60 . 1 . 1 11 11 ASP CB C 13 41.104 0.000 . 1 . . . . . 1626 D CB . 52728 1
61 . 1 . 1 12 12 LEU H H 1 8.001 0.004 . 1 . . . . . 1627 L H . 52728 1
62 . 1 . 1 12 12 LEU HA H 1 4.363 0.001 . 1 . . . . . 1627 L HA . 52728 1
63 . 1 . 1 12 12 LEU HB2 H 1 1.629 0.003 . 2 . . . . . 1627 L HB2 . 52728 1
64 . 1 . 1 12 12 LEU C C 13 177.545 0.000 . 1 . . . . . 1627 L C . 52728 1
65 . 1 . 1 12 12 LEU CA C 13 54.987 0.040 . 1 . . . . . 1627 L CA . 52728 1
66 . 1 . 1 12 12 LEU CB C 13 42.532 0.015 . 1 . . . . . 1627 L CB . 52728 1
67 . 1 . 1 12 12 LEU N N 15 122.390 0.035 . 1 . . . . . 1627 L N . 52728 1
68 . 1 . 1 13 13 GLY H H 1 8.230 0.006 . 1 . . . . . 1628 G H . 52728 1
69 . 1 . 1 13 13 GLY HA2 H 1 4.106 0.000 . 2 . . . . . 1628 G HA2 . 52728 1
70 . 1 . 1 13 13 GLY CA C 13 44.936 0.000 . 1 . . . . . 1628 G CA . 52728 1
71 . 1 . 1 13 13 GLY N N 15 109.759 0.020 . 1 . . . . . 1628 G N . 52728 1
72 . 1 . 1 14 14 PRO HA H 1 4.317 0.000 . 1 . . . . . 1629 P HA . 52728 1
73 . 1 . 1 14 14 PRO HB2 H 1 2.275 0.004 . 2 . . . . . 1629 P HB2 . 52728 1
74 . 1 . 1 14 14 PRO HB3 H 1 1.962 0.000 . 2 . . . . . 1629 P HB3 . 52728 1
75 . 1 . 1 14 14 PRO C C 13 177.742 0.000 . 1 . . . . . 1629 P C . 52728 1
76 . 1 . 1 14 14 PRO CA C 13 64.129 0.023 . 1 . . . . . 1629 P CA . 52728 1
77 . 1 . 1 14 14 PRO CB C 13 31.953 0.017 . 1 . . . . . 1629 P CB . 52728 1
78 . 1 . 1 15 15 GLU H H 1 8.742 0.002 . 1 . . . . . 1630 E H . 52728 1
79 . 1 . 1 15 15 GLU HA H 1 4.200 0.000 . 1 . . . . . 1630 E HA . 52728 1
80 . 1 . 1 15 15 GLU HB2 H 1 1.993 0.000 . 2 . . . . . 1630 E HB2 . 52728 1
81 . 1 . 1 15 15 GLU CA C 13 57.659 0.000 . 1 . . . . . 1630 E CA . 52728 1
82 . 1 . 1 15 15 GLU CB C 13 29.343 0.000 . 1 . . . . . 1630 E CB . 52728 1
83 . 1 . 1 15 15 GLU N N 15 120.049 0.014 . 1 . . . . . 1630 E N . 52728 1
84 . 1 . 1 17 17 ARG HA H 1 4.311 0.000 . 1 . . . . . 1632 R HA . 52728 1
85 . 1 . 1 17 17 ARG HB2 H 1 2.013 0.007 . 2 . . . . . 1632 R HB2 . 52728 1
86 . 1 . 1 17 17 ARG C C 13 176.325 0.000 . 1 . . . . . 1632 R C . 52728 1
87 . 1 . 1 17 17 ARG CA C 13 56.481 0.000 . 1 . . . . . 1632 R CA . 52728 1
88 . 1 . 1 17 17 ARG CB C 13 30.405 0.000 . 1 . . . . . 1632 R CB . 52728 1
89 . 1 . 1 18 18 GLN H H 1 8.400 0.002 . 1 . . . . . 1633 Q H . 52728 1
90 . 1 . 1 18 18 GLN HA H 1 4.293 0.000 . 1 . . . . . 1633 Q HA . 52728 1
91 . 1 . 1 18 18 GLN HB2 H 1 1.928 0.000 . 2 . . . . . 1633 Q HB2 . 52728 1
92 . 1 . 1 18 18 GLN CA C 13 56.417 0.000 . 1 . . . . . 1633 Q CA . 52728 1
93 . 1 . 1 18 18 GLN CB C 13 30.506 0.000 . 1 . . . . . 1633 Q CB . 52728 1
94 . 1 . 1 18 18 GLN N N 15 122.433 0.014 . 1 . . . . . 1633 Q N . 52728 1
95 . 1 . 1 23 23 ASP HA H 1 4.687 0.003 . 1 . . . . . 1638 D HA . 52728 1
96 . 1 . 1 23 23 ASP HB2 H 1 2.683 0.008 . 2 . . . . . 1638 D HB2 . 52728 1
97 . 1 . 1 23 23 ASP C C 13 176.227 0.000 . 1 . . . . . 1638 D C . 52728 1
98 . 1 . 1 23 23 ASP CA C 13 54.753 0.009 . 1 . . . . . 1638 D CA . 52728 1
99 . 1 . 1 23 23 ASP CB C 13 41.201 0.006 . 1 . . . . . 1638 D CB . 52728 1
100 . 1 . 1 24 24 THR H H 1 8.069 0.002 . 1 . . . . . 1639 T H . 52728 1
101 . 1 . 1 24 24 THR HA H 1 4.364 0.000 . 1 . . . . . 1639 T HA . 52728 1
102 . 1 . 1 24 24 THR HB H 1 4.244 0.022 . 1 . . . . . 1639 T HB . 52728 1
103 . 1 . 1 24 24 THR C C 13 174.408 0.000 . 1 . . . . . 1639 T C . 52728 1
104 . 1 . 1 24 24 THR CA C 13 61.776 0.003 . 1 . . . . . 1639 T CA . 52728 1
105 . 1 . 1 24 24 THR CB C 13 69.952 0.009 . 1 . . . . . 1639 T CB . 52728 1
106 . 1 . 1 24 24 THR N N 15 114.327 0.030 . 1 . . . . . 1639 T N . 52728 1
107 . 1 . 1 25 25 GLU H H 1 8.445 0.001 . 1 . . . . . 1640 E H . 52728 1
108 . 1 . 1 25 25 GLU HA H 1 4.320 0.000 . 1 . . . . . 1640 E HA . 52728 1
109 . 1 . 1 25 25 GLU HB2 H 1 2.006 0.000 . 2 . . . . . 1640 E HB2 . 52728 1
110 . 1 . 1 25 25 GLU CA C 13 56.460 0.000 . 1 . . . . . 1640 E CA . 52728 1
111 . 1 . 1 25 25 GLU CB C 13 30.409 0.000 . 1 . . . . . 1640 E CB . 52728 1
112 . 1 . 1 25 25 GLU N N 15 123.631 0.034 . 1 . . . . . 1640 E N . 52728 1
113 . 1 . 1 30 30 GLU HA H 1 4.295 0.001 . 1 . . . . . 1645 E HA . 52728 1
114 . 1 . 1 30 30 GLU HB2 H 1 2.010 0.002 . 2 . . . . . 1645 E HB2 . 52728 1
115 . 1 . 1 30 30 GLU C C 13 177.070 0.000 . 1 . . . . . 1645 E C . 52728 1
116 . 1 . 1 30 30 GLU CA C 13 56.756 0.007 . 1 . . . . . 1645 E CA . 52728 1
117 . 1 . 1 30 30 GLU CB C 13 30.520 0.004 . 1 . . . . . 1645 E CB . 52728 1
118 . 1 . 1 31 31 GLY H H 1 8.551 0.001 . 1 . . . . . 1646 G H . 52728 1
119 . 1 . 1 31 31 GLY HA2 H 1 3.968 0.005 . 2 . . . . . 1646 G HA2 . 52728 1
120 . 1 . 1 31 31 GLY C C 13 174.106 0.000 . 1 . . . . . 1646 G C . 52728 1
121 . 1 . 1 31 31 GLY CA C 13 45.376 0.004 . 1 . . . . . 1646 G CA . 52728 1
122 . 1 . 1 31 31 GLY N N 15 111.008 0.008 . 1 . . . . . 1646 G N . 52728 1
123 . 1 . 1 32 32 GLN H H 1 8.322 0.001 . 1 . . . . . 1647 Q H . 52728 1
124 . 1 . 1 32 32 GLN HA H 1 4.378 0.000 . 1 . . . . . 1647 Q HA . 52728 1
125 . 1 . 1 32 32 GLN HB2 H 1 2.117 0.000 . 2 . . . . . 1647 Q HB2 . 52728 1
126 . 1 . 1 32 32 GLN HB3 H 1 1.957 0.000 . 2 . . . . . 1647 Q HB3 . 52728 1
127 . 1 . 1 32 32 GLN CA C 13 55.607 0.000 . 1 . . . . . 1647 Q CA . 52728 1
128 . 1 . 1 32 32 GLN CB C 13 29.757 0.000 . 1 . . . . . 1647 Q CB . 52728 1
129 . 1 . 1 32 32 GLN N N 15 120.262 0.019 . 1 . . . . . 1647 Q N . 52728 1
130 . 1 . 1 33 33 GLU HA H 1 4.298 0.001 . 1 . . . . . 1648 E HA . 52728 1
131 . 1 . 1 33 33 GLU HB2 H 1 2.002 0.004 . 2 . . . . . 1648 E HB2 . 52728 1
132 . 1 . 1 33 33 GLU C C 13 176.991 0.000 . 1 . . . . . 1648 E C . 52728 1
133 . 1 . 1 33 33 GLU CA C 13 56.833 0.008 . 1 . . . . . 1648 E CA . 52728 1
134 . 1 . 1 33 33 GLU CB C 13 30.390 0.004 . 1 . . . . . 1648 E CB . 52728 1
135 . 1 . 1 34 34 GLY H H 1 8.515 0.001 . 1 . . . . . 1649 G H . 52728 1
136 . 1 . 1 34 34 GLY HA2 H 1 3.947 0.029 . 2 . . . . . 1649 G HA2 . 52728 1
137 . 1 . 1 34 34 GLY C C 13 173.906 0.000 . 1 . . . . . 1649 G C . 52728 1
138 . 1 . 1 34 34 GLY CA C 13 45.287 0.010 . 1 . . . . . 1649 G CA . 52728 1
139 . 1 . 1 34 34 GLY N N 15 111.003 0.023 . 1 . . . . . 1649 G N . 52728 1
140 . 1 . 1 35 35 VAL H H 1 7.990 0.001 . 1 . . . . . 1650 V H . 52728 1
141 . 1 . 1 35 35 VAL HA H 1 4.170 0.002 . 1 . . . . . 1650 V HA . 52728 1
142 . 1 . 1 35 35 VAL HB H 1 2.057 0.016 . 1 . . . . . 1650 V HB . 52728 1
143 . 1 . 1 35 35 VAL C C 13 176.109 0.000 . 1 . . . . . 1650 V C . 52728 1
144 . 1 . 1 35 35 VAL CA C 13 61.988 0.016 . 1 . . . . . 1650 V CA . 52728 1
145 . 1 . 1 35 35 VAL CB C 13 33.051 0.011 . 1 . . . . . 1650 V CB . 52728 1
146 . 1 . 1 35 35 VAL N N 15 119.554 0.022 . 1 . . . . . 1650 V N . 52728 1
147 . 1 . 1 36 36 GLU H H 1 8.558 0.001 . 1 . . . . . 1651 E H . 52728 1
148 . 1 . 1 36 36 GLU HA H 1 4.310 0.000 . 1 . . . . . 1651 E HA . 52728 1
149 . 1 . 1 36 36 GLU HB2 H 1 1.936 0.000 . 2 . . . . . 1651 E HB2 . 52728 1
150 . 1 . 1 36 36 GLU C C 13 176.340 0.000 . 1 . . . . . 1651 E C . 52728 1
151 . 1 . 1 36 36 GLU CA C 13 56.466 0.100 . 1 . . . . . 1651 E CA . 52728 1
152 . 1 . 1 36 36 GLU CB C 13 30.508 0.080 . 1 . . . . . 1651 E CB . 52728 1
153 . 1 . 1 36 36 GLU N N 15 125.489 0.022 . 1 . . . . . 1651 E N . 52728 1
154 . 1 . 1 37 37 GLU H H 1 8.471 0.014 . 1 . . . . . 1652 E H . 52728 1
155 . 1 . 1 37 37 GLU HA H 1 4.289 0.000 . 1 . . . . . 1652 E HA . 52728 1
156 . 1 . 1 37 37 GLU HB2 H 1 1.926 0.000 . 2 . . . . . 1652 E HB2 . 52728 1
157 . 1 . 1 37 37 GLU CA C 13 56.375 0.000 . 1 . . . . . 1652 E CA . 52728 1
158 . 1 . 1 37 37 GLU CB C 13 30.570 0.000 . 1 . . . . . 1652 E CB . 52728 1
159 . 1 . 1 37 37 GLU N N 15 122.984 0.129 . 1 . . . . . 1652 E N . 52728 1
160 . 1 . 1 39 39 ASP HA H 1 4.573 0.003 . 1 . . . . . 1654 D HA . 52728 1
161 . 1 . 1 39 39 ASP HB2 H 1 2.655 0.003 . 2 . . . . . 1654 D HB2 . 52728 1
162 . 1 . 1 39 39 ASP C C 13 176.423 0.000 . 1 . . . . . 1654 D C . 52728 1
163 . 1 . 1 39 39 ASP CA C 13 54.439 0.017 . 1 . . . . . 1654 D CA . 52728 1
164 . 1 . 1 39 39 ASP CB C 13 41.522 0.009 . 1 . . . . . 1654 D CB . 52728 1
165 . 1 . 1 40 40 GLU H H 1 8.443 0.006 . 1 . . . . . 1655 E H . 52728 1
166 . 1 . 1 40 40 GLU HA H 1 4.236 0.002 . 1 . . . . . 1655 E HA . 52728 1
167 . 1 . 1 40 40 GLU HB2 H 1 2.016 0.005 . 2 . . . . . 1655 E HB2 . 52728 1
168 . 1 . 1 40 40 GLU C C 13 176.763 0.000 . 1 . . . . . 1655 E C . 52728 1
169 . 1 . 1 40 40 GLU CA C 13 56.929 0.023 . 1 . . . . . 1655 E CA . 52728 1
170 . 1 . 1 40 40 GLU CB C 13 29.977 0.058 . 1 . . . . . 1655 E CB . 52728 1
171 . 1 . 1 40 40 GLU N N 15 122.353 0.016 . 1 . . . . . 1655 E N . 52728 1
172 . 1 . 1 41 41 LYS H H 1 8.294 0.002 . 1 . . . . . 1656 K H . 52728 1
173 . 1 . 1 41 41 LYS HA H 1 4.244 0.002 . 1 . . . . . 1656 K HA . 52728 1
174 . 1 . 1 41 41 LYS HB2 H 1 1.792 0.006 . 2 . . . . . 1656 K HB2 . 52728 1
175 . 1 . 1 41 41 LYS C C 13 176.610 0.000 . 1 . . . . . 1656 K C . 52728 1
176 . 1 . 1 41 41 LYS CA C 13 56.795 0.027 . 1 . . . . . 1656 K CA . 52728 1
177 . 1 . 1 41 41 LYS CB C 13 32.945 0.004 . 1 . . . . . 1656 K CB . 52728 1
178 . 1 . 1 41 41 LYS N N 15 122.235 0.011 . 1 . . . . . 1656 K N . 52728 1
179 . 1 . 1 42 42 ASP H H 1 8.324 0.002 . 1 . . . . . 1657 D H . 52728 1
180 . 1 . 1 42 42 ASP HA H 1 4.591 0.003 . 1 . . . . . 1657 D HA . 52728 1
181 . 1 . 1 42 42 ASP HB2 H 1 2.753 0.006 . 2 . . . . . 1657 D HB2 . 52728 1
182 . 1 . 1 42 42 ASP HB3 H 1 2.643 0.003 . 2 . . . . . 1657 D HB3 . 52728 1
183 . 1 . 1 42 42 ASP C C 13 176.356 0.000 . 1 . . . . . 1657 D C . 52728 1
184 . 1 . 1 42 42 ASP CA C 13 54.483 0.042 . 1 . . . . . 1657 D CA . 52728 1
185 . 1 . 1 42 42 ASP CB C 13 41.014 0.005 . 1 . . . . . 1657 D CB . 52728 1
186 . 1 . 1 42 42 ASP N N 15 121.069 0.017 . 1 . . . . . 1657 D N . 52728 1
187 . 1 . 1 43 43 LEU H H 1 8.109 0.001 . 1 . . . . . 1658 L H . 52728 1
188 . 1 . 1 43 43 LEU HA H 1 4.269 0.001 . 1 . . . . . 1658 L HA . 52728 1
189 . 1 . 1 43 43 LEU HB2 H 1 1.641 0.003 . 2 . . . . . 1658 L HB2 . 52728 1
190 . 1 . 1 43 43 LEU C C 13 178.072 0.000 . 1 . . . . . 1658 L C . 52728 1
191 . 1 . 1 43 43 LEU CA C 13 55.812 0.039 . 1 . . . . . 1658 L CA . 52728 1
192 . 1 . 1 43 43 LEU CB C 13 42.356 0.033 . 1 . . . . . 1658 L CB . 52728 1
193 . 1 . 1 43 43 LEU N N 15 122.689 0.011 . 1 . . . . . 1658 L N . 52728 1
194 . 1 . 1 44 44 GLU H H 1 8.415 0.002 . 1 . . . . . 1659 E H . 52728 1
195 . 1 . 1 44 44 GLU HA H 1 4.256 0.000 . 1 . . . . . 1659 E HA . 52728 1
196 . 1 . 1 44 44 GLU HB2 H 1 2.048 0.003 . 2 . . . . . 1659 E HB2 . 52728 1
197 . 1 . 1 44 44 GLU C C 13 177.293 0.000 . 1 . . . . . 1659 E C . 52728 1
198 . 1 . 1 44 44 GLU CA C 13 57.213 0.027 . 1 . . . . . 1659 E CA . 52728 1
199 . 1 . 1 44 44 GLU CB C 13 29.936 0.007 . 1 . . . . . 1659 E CB . 52728 1
200 . 1 . 1 44 44 GLU N N 15 120.917 0.021 . 1 . . . . . 1659 E N . 52728 1
201 . 1 . 1 45 45 THR H H 1 7.998 0.002 . 1 . . . . . 1660 T H . 52728 1
202 . 1 . 1 45 45 THR HA H 1 4.242 0.000 . 1 . . . . . 1660 T HA . 52728 1
203 . 1 . 1 45 45 THR HB H 1 4.508 0.000 . 1 . . . . . 1660 T HB . 52728 1
204 . 1 . 1 45 45 THR CA C 13 62.899 0.000 . 1 . . . . . 1660 T CA . 52728 1
205 . 1 . 1 45 45 THR CB C 13 69.526 0.000 . 1 . . . . . 1660 T CB . 52728 1
206 . 1 . 1 45 45 THR N N 15 114.498 0.009 . 1 . . . . . 1660 T N . 52728 1
207 . 1 . 1 46 46 ASN HA H 1 4.699 0.003 . 1 . . . . . 1661 N HA . 52728 1
208 . 1 . 1 46 46 ASN HB2 H 1 2.833 0.005 . 2 . . . . . 1661 N HB2 . 52728 1
209 . 1 . 1 46 46 ASN C C 13 175.449 0.000 . 1 . . . . . 1661 N C . 52728 1
210 . 1 . 1 46 46 ASN CA C 13 53.639 0.000 . 1 . . . . . 1661 N CA . 52728 1
211 . 1 . 1 46 46 ASN CB C 13 38.586 0.000 . 1 . . . . . 1661 N CB . 52728 1
212 . 1 . 1 47 47 LYS H H 1 8.162 0.002 . 1 . . . . . 1662 K H . 52728 1
213 . 1 . 1 47 47 LYS HA H 1 4.242 0.001 . 1 . . . . . 1662 K HA . 52728 1
214 . 1 . 1 47 47 LYS HB2 H 1 1.815 0.011 . 2 . . . . . 1662 K HB2 . 52728 1
215 . 1 . 1 47 47 LYS C C 13 176.716 0.000 . 1 . . . . . 1662 K C . 52728 1
216 . 1 . 1 47 47 LYS CA C 13 56.857 0.065 . 1 . . . . . 1662 K CA . 52728 1
217 . 1 . 1 47 47 LYS CB C 13 32.891 0.002 . 1 . . . . . 1662 K CB . 52728 1
218 . 1 . 1 47 47 LYS N N 15 121.937 0.062 . 1 . . . . . 1662 K N . 52728 1
219 . 1 . 1 48 48 ALA H H 1 8.251 0.002 . 1 . . . . . 1663 A H . 52728 1
220 . 1 . 1 48 48 ALA HA H 1 4.325 0.010 . 1 . . . . . 1663 A HA . 52728 1
221 . 1 . 1 48 48 ALA HB1 H 1 1.426 0.004 . 1 . . . . . 1663 A HB . 52728 1
222 . 1 . 1 48 48 ALA HB2 H 1 1.426 0.004 . 1 . . . . . 1663 A HB . 52728 1
223 . 1 . 1 48 48 ALA HB3 H 1 1.426 0.004 . 1 . . . . . 1663 A HB . 52728 1
224 . 1 . 1 48 48 ALA C C 13 178.129 0.000 . 1 . . . . . 1663 A C . 52728 1
225 . 1 . 1 48 48 ALA CA C 13 52.972 0.017 . 1 . . . . . 1663 A CA . 52728 1
226 . 1 . 1 48 48 ALA CB C 13 19.111 0.011 . 1 . . . . . 1663 A CB . 52728 1
227 . 1 . 1 48 48 ALA N N 15 124.218 0.008 . 1 . . . . . 1663 A N . 52728 1
228 . 1 . 1 49 49 THR H H 1 7.983 0.002 . 1 . . . . . 1664 T H . 52728 1
229 . 1 . 1 49 49 THR HA H 1 4.288 0.025 . 1 . . . . . 1664 T HA . 52728 1
230 . 1 . 1 49 49 THR HB H 1 4.174 0.000 . 1 . . . . . 1664 T HB . 52728 1
231 . 1 . 1 49 49 THR C C 13 174.640 0.000 . 1 . . . . . 1664 T C . 52728 1
232 . 1 . 1 49 49 THR CA C 13 62.169 0.024 . 1 . . . . . 1664 T CA . 52728 1
233 . 1 . 1 49 49 THR CB C 13 69.676 0.002 . 1 . . . . . 1664 T CB . 52728 1
234 . 1 . 1 49 49 THR N N 15 112.810 0.012 . 1 . . . . . 1664 T N . 52728 1
235 . 1 . 1 50 50 MET H H 1 8.222 0.002 . 1 . . . . . 1665 M H . 52728 1
236 . 1 . 1 50 50 MET HA H 1 4.502 0.001 . 1 . . . . . 1665 M HA . 52728 1
237 . 1 . 1 50 50 MET HB2 H 1 2.054 0.008 . 2 . . . . . 1665 M HB2 . 52728 1
238 . 1 . 1 50 50 MET C C 13 176.096 0.000 . 1 . . . . . 1665 M C . 52728 1
239 . 1 . 1 50 50 MET CA C 13 55.736 0.040 . 1 . . . . . 1665 M CA . 52728 1
240 . 1 . 1 50 50 MET CB C 13 32.995 0.000 . 1 . . . . . 1665 M CB . 52728 1
241 . 1 . 1 50 50 MET N N 15 122.949 0.029 . 1 . . . . . 1665 M N . 52728 1
242 . 1 . 1 51 51 VAL H H 1 8.106 0.002 . 1 . . . . . 1666 V H . 52728 1
243 . 1 . 1 51 51 VAL HA H 1 4.148 0.000 . 1 . . . . . 1666 V HA . 52728 1
244 . 1 . 1 51 51 VAL HB H 1 2.088 0.000 . 1 . . . . . 1666 V HB . 52728 1
245 . 1 . 1 51 51 VAL CA C 13 62.346 0.000 . 1 . . . . . 1666 V CA . 52728 1
246 . 1 . 1 51 51 VAL CB C 13 32.847 0.000 . 1 . . . . . 1666 V CB . 52728 1
247 . 1 . 1 51 51 VAL N N 15 121.335 0.040 . 1 . . . . . 1666 V N . 52728 1
248 . 1 . 1 52 52 SER HA H 1 4.442 0.003 . 1 . . . . . 1667 S HA . 52728 1
249 . 1 . 1 52 52 SER HB2 H 1 3.838 0.001 . 2 . . . . . 1667 S HB2 . 52728 1
250 . 1 . 1 52 52 SER C C 13 174.068 0.000 . 1 . . . . . 1667 S C . 52728 1
251 . 1 . 1 52 52 SER CA C 13 58.277 0.000 . 1 . . . . . 1667 S CA . 52728 1
252 . 1 . 1 52 52 SER CB C 13 63.755 0.000 . 1 . . . . . 1667 S CB . 52728 1
253 . 1 . 1 53 53 GLN H H 1 8.348 0.002 . 1 . . . . . 1668 Q H . 52728 1
254 . 1 . 1 53 53 GLN HA H 1 4.652 0.000 . 1 . . . . . 1668 Q HA . 52728 1
255 . 1 . 1 53 53 GLN HB2 H 1 2.109 0.000 . 2 . . . . . 1668 Q HB2 . 52728 1
256 . 1 . 1 53 53 GLN HB3 H 1 1.915 0.000 . 2 . . . . . 1668 Q HB3 . 52728 1
257 . 1 . 1 53 53 GLN CB C 13 29.075 0.000 . 1 . . . . . 1668 Q CB . 52728 1
258 . 1 . 1 53 53 GLN N N 15 123.320 0.016 . 1 . . . . . 1668 Q N . 52728 1
259 . 1 . 1 56 56 ALA HA H 1 4.328 0.000 . 1 . . . . . 1671 A HA . 52728 1
260 . 1 . 1 56 56 ALA HB1 H 1 1.386 0.002 . 1 . . . . . 1671 A HB . 52728 1
261 . 1 . 1 56 56 ALA HB2 H 1 1.386 0.002 . 1 . . . . . 1671 A HB . 52728 1
262 . 1 . 1 56 56 ALA HB3 H 1 1.386 0.002 . 1 . . . . . 1671 A HB . 52728 1
263 . 1 . 1 56 56 ALA C C 13 177.657 0.000 . 1 . . . . . 1671 A C . 52728 1
264 . 1 . 1 56 56 ALA CA C 13 52.580 0.000 . 1 . . . . . 1671 A CA . 52728 1
265 . 1 . 1 56 56 ALA CB C 13 19.212 0.008 . 1 . . . . . 1671 A CB . 52728 1
266 . 1 . 1 57 57 ARG H H 1 8.227 0.001 . 1 . . . . . 1672 R H . 52728 1
267 . 1 . 1 57 57 ARG HA H 1 4.344 0.035 . 1 . . . . . 1672 R HA . 52728 1
268 . 1 . 1 57 57 ARG HB2 H 1 1.885 0.086 . 2 . . . . . 1672 R HB2 . 52728 1
269 . 1 . 1 57 57 ARG C C 13 176.008 0.000 . 1 . . . . . 1672 R C . 52728 1
270 . 1 . 1 57 57 ARG CA C 13 55.880 0.336 . 1 . . . . . 1672 R CA . 52728 1
271 . 1 . 1 57 57 ARG CB C 13 30.229 0.450 . 1 . . . . . 1672 R CB . 52728 1
272 . 1 . 1 57 57 ARG N N 15 120.565 0.033 . 1 . . . . . 1672 R N . 52728 1
273 . 1 . 1 58 58 ARG H H 1 8.609 0.001 . 1 . . . . . 1673 R H . 52728 1
274 . 1 . 1 58 58 ARG HA H 1 4.308 0.000 . 1 . . . . . 1673 R HA . 52728 1
275 . 1 . 1 58 58 ARG HB2 H 1 1.988 0.000 . 2 . . . . . 1673 R HB2 . 52728 1
276 . 1 . 1 58 58 ARG CA C 13 56.778 0.000 . 1 . . . . . 1673 R CA . 52728 1
277 . 1 . 1 58 58 ARG CB C 13 30.251 0.000 . 1 . . . . . 1673 R CB . 52728 1
278 . 1 . 1 58 58 ARG N N 15 123.117 0.009 . 1 . . . . . 1673 R N . 52728 1
279 . 1 . 1 61 61 GLY HA2 H 1 3.987 0.000 . 2 . . . . . 1676 G HA2 . 52728 1
280 . 1 . 1 61 61 GLY C C 13 176.306 0.000 . 1 . . . . . 1676 G C . 52728 1
281 . 1 . 1 61 61 GLY CA C 13 45.371 0.008 . 1 . . . . . 1676 G CA . 52728 1
282 . 1 . 1 62 62 ILE H H 1 7.972 0.002 . 1 . . . . . 1677 I H . 52728 1
283 . 1 . 1 62 62 ILE HA H 1 4.256 0.000 . 1 . . . . . 1677 I HA . 52728 1
284 . 1 . 1 62 62 ILE HB H 1 1.897 0.003 . 1 . . . . . 1677 I HB . 52728 1
285 . 1 . 1 62 62 ILE C C 13 175.570 0.000 . 1 . . . . . 1677 I C . 52728 1
286 . 1 . 1 62 62 ILE CA C 13 61.199 0.050 . 1 . . . . . 1677 I CA . 52728 1
287 . 1 . 1 62 62 ILE CB C 13 39.003 0.002 . 1 . . . . . 1677 I CB . 52728 1
288 . 1 . 1 62 62 ILE N N 15 120.294 0.080 . 1 . . . . . 1677 I N . 52728 1
289 . 1 . 1 63 63 SER H H 1 7.975 0.001 . 1 . . . . . 1678 S H . 52728 1
290 . 1 . 1 63 63 SER HA H 1 4.268 0.000 . 1 . . . . . 1678 S HA . 52728 1
291 . 1 . 1 63 63 SER HB2 H 1 3.837 0.000 . 2 . . . . . 1678 S HB2 . 52728 1
292 . 1 . 1 63 63 SER CA C 13 60.193 0.000 . 1 . . . . . 1678 S CA . 52728 1
293 . 1 . 1 63 63 SER CB C 13 64.922 0.000 . 1 . . . . . 1678 S CB . 52728 1
294 . 1 . 1 63 63 SER N N 15 125.628 0.014 . 1 . . . . . 1678 S N . 52728 1
stop_
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