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 30875
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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' . . . 30875 1
2 '2D 1H-13C HSQC aliphatic' . . . 30875 1
3 '2D 1H-13C HSQC' . . . 30875 1
4 '3D HNCACB' . . . 30875 1
5 '3D C(CO)NH' . . . 30875 1
6 '3D 1H-13C NOESY aromatic' . . . 30875 1
7 '3D 1H-15N NOESY' . . . 30875 1
8 '3D 1H-13C NOESY' . . . 30875 1
9 '3D H(CCO)NH' . . . 30875 1
10 '3D HCCH-TOCSY' . . . 30875 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 5 5 PRO HA H 1 4.3474 0.0000 . 1 . . 4697 . A 29 PRO HA . 30875 1
2 . 1 . 1 5 5 PRO HB2 H 1 2.1527 0.0000 . 2 . . 4712 . A 29 PRO HB2 . 30875 1
3 . 1 . 1 5 5 PRO HB3 H 1 1.6523 0.0000 . 2 . . 4712 . A 29 PRO HB3 . 30875 1
4 . 1 . 1 5 5 PRO HG2 H 1 1.9002 0.0000 . 2 . . 4709 . A 29 PRO HG2 . 30875 1
5 . 1 . 1 5 5 PRO HD2 H 1 3.6893 0.0000 . 2 . . 4721 . A 29 PRO HD2 . 30875 1
6 . 1 . 1 5 5 PRO CA C 13 64.6456 0.0000 . 1 . . . . A 29 PRO CA . 30875 1
7 . 1 . 1 5 5 PRO CB C 13 32.9948 0.0000 . 1 . . . . A 29 PRO CB . 30875 1
8 . 1 . 1 5 5 PRO CG C 13 28.0923 0.0000 . 1 . . 5561 . A 29 PRO CG . 30875 1
9 . 1 . 1 5 5 PRO CD C 13 51.7713 0.0000 . 1 . . 5501 . A 29 PRO CD . 30875 1
10 . 1 . 1 6 6 TYR H H 1 7.9774 0.0000 . 1 . . 411709 . A 30 TYR H . 30875 1
11 . 1 . 1 6 6 TYR HA H 1 4.4791 0.0000 . 1 . . . . A 30 TYR HA . 30875 1
12 . 1 . 1 6 6 TYR HB2 H 1 2.9895 0.0000 . 2 . . 6893 . A 30 TYR HB2 . 30875 1
13 . 1 . 1 6 6 TYR HB3 H 1 2.8774 0.0000 . 2 . . 4526 . A 30 TYR HB3 . 30875 1
14 . 1 . 1 6 6 TYR HD1 H 1 7.0602 0.0000 . 3 . . . . A 30 TYR HD1 . 30875 1
15 . 1 . 1 6 6 TYR HE1 H 1 6.7860 0.0000 . 3 . . . . A 30 TYR HE1 . 30875 1
16 . 1 . 1 6 6 TYR CA C 13 58.9197 0.0000 . 1 . . . . A 30 TYR CA . 30875 1
17 . 1 . 1 6 6 TYR CB C 13 39.6298 0.0000 . 1 . . . . A 30 TYR CB . 30875 1
18 . 1 . 1 6 6 TYR CD1 C 13 128.1691 0.0000 . 3 . . . . A 30 TYR CD1 . 30875 1
19 . 1 . 1 6 6 TYR CE1 C 13 113.0230 0.0000 . 3 . . . . A 30 TYR CE1 . 30875 1
20 . 1 . 1 6 6 TYR N N 15 119.4558 0.0000 . 1 . . 411710 . A 30 TYR N . 30875 1
21 . 1 . 1 7 7 GLN H H 1 7.9822 0.0000 . 1 . . 411581 . A 31 GLN H . 30875 1
22 . 1 . 1 7 7 GLN HA H 1 4.2260 0.0000 . 1 . . . . A 31 GLN HA . 30875 1
23 . 1 . 1 7 7 GLN HB2 H 1 2.1571 0.0000 . 2 . . . . A 31 GLN HB2 . 30875 1
24 . 1 . 1 7 7 GLN HB3 H 1 1.9026 0.0000 . 2 . . . . A 31 GLN HB3 . 30875 1
25 . 1 . 1 7 7 GLN HG2 H 1 2.2412 0.0000 . 2 . . . . A 31 GLN HG2 . 30875 1
26 . 1 . 1 7 7 GLN CA C 13 56.6614 0.0000 . 1 . . . . A 31 GLN CA . 30875 1
27 . 1 . 1 7 7 GLN CB C 13 30.2603 0.0000 . 1 . . . . A 31 GLN CB . 30875 1
28 . 1 . 1 7 7 GLN CG C 13 34.8694 0.0000 . 1 . . . . A 31 GLN CG . 30875 1
29 . 1 . 1 7 7 GLN N N 15 122.4336 0.0000 . 1 . . 411582 . A 31 GLN N . 30875 1
30 . 1 . 1 8 8 LYS H H 1 8.2051 0.0000 . 1 . . 411563 . A 32 LYS H . 30875 1
31 . 1 . 1 8 8 LYS HA H 1 4.1723 0.0000 . 1 . . . . A 32 LYS HA . 30875 1
32 . 1 . 1 8 8 LYS HB2 H 1 1.7568 0.0000 . 2 . . . . A 32 LYS HB2 . 30875 1
33 . 1 . 1 8 8 LYS HG2 H 1 1.3850 0.0000 . 2 . . . . A 32 LYS HG2 . 30875 1
34 . 1 . 1 8 8 LYS HD2 H 1 1.7300 0.0000 . 2 . . . . A 32 LYS HD2 . 30875 1
35 . 1 . 1 8 8 LYS HE2 H 1 2.9378 0.0000 . 2 . . . . A 32 LYS HE2 . 30875 1
36 . 1 . 1 8 8 LYS CA C 13 57.7430 0.0000 . 1 . . . . A 32 LYS CA . 30875 1
37 . 1 . 1 8 8 LYS CB C 13 34.0537 0.0000 . 1 . . . . A 32 LYS CB . 30875 1
38 . 1 . 1 8 8 LYS CG C 13 25.8900 0.0000 . 1 . . . . A 32 LYS CG . 30875 1
39 . 1 . 1 8 8 LYS CD C 13 30.1500 0.0000 . 1 . . . . A 32 LYS CD . 30875 1
40 . 1 . 1 8 8 LYS CE C 13 43.0267 0.0000 . 1 . . . . A 32 LYS CE . 30875 1
41 . 1 . 1 8 8 LYS N N 15 123.0566 0.0000 . 1 . . 411564 . A 32 LYS N . 30875 1
42 . 1 . 1 9 9 LYS H H 1 8.3658 0.0000 . 1 . . 411559 . A 33 LYS H . 30875 1
43 . 1 . 1 9 9 LYS HA H 1 4.3303 0.0000 . 1 . . 4877 . A 33 LYS HA . 30875 1
44 . 1 . 1 9 9 LYS HB2 H 1 1.7540 0.0000 . 2 . . 4886 . A 33 LYS HB2 . 30875 1
45 . 1 . 1 9 9 LYS HG2 H 1 1.3790 0.0000 . 2 . . 4889 . A 33 LYS HG2 . 30875 1
46 . 1 . 1 9 9 LYS HD2 H 1 1.6300 0.0000 . 2 . . . . A 33 LYS HD2 . 30875 1
47 . 1 . 1 9 9 LYS HE2 H 1 2.9300 0.0000 . 2 . . . . A 33 LYS HE2 . 30875 1
48 . 1 . 1 9 9 LYS CA C 13 57.7121 0.0000 . 1 . . . . A 33 LYS CA . 30875 1
49 . 1 . 1 9 9 LYS CB C 13 34.1275 0.0000 . 1 . . . . A 33 LYS CB . 30875 1
50 . 1 . 1 9 9 LYS CG C 13 25.6900 0.0000 . 1 . . 5825 . A 33 LYS CG . 30875 1
51 . 1 . 1 9 9 LYS CD C 13 30.0200 0.0000 . 1 . . 5816 . A 33 LYS CD . 30875 1
52 . 1 . 1 9 9 LYS CE C 13 43.0230 0.0000 . 1 . . 6896 . A 33 LYS CE . 30875 1
53 . 1 . 1 9 9 LYS N N 15 123.2957 0.0000 . 1 . . 411560 . A 33 LYS N . 30875 1
54 . 1 . 1 10 10 THR H H 1 8.0545 0.0000 . 1 . . 411849 . A 34 THR H . 30875 1
55 . 1 . 1 10 10 THR HA H 1 4.2550 0.0000 . 1 . . 6899 . A 34 THR HA . 30875 1
56 . 1 . 1 10 10 THR HB H 1 4.1263 0.0000 . 1 . . 4451 . A 34 THR HB . 30875 1
57 . 1 . 1 10 10 THR HG21 H 1 1.1170 0.0000 . 1 . . 4496 . A 34 THR HG21 . 30875 1
58 . 1 . 1 10 10 THR HG22 H 1 1.1170 0.0000 . 1 . . 4496 . A 34 THR HG22 . 30875 1
59 . 1 . 1 10 10 THR HG23 H 1 1.1170 0.0000 . 1 . . 4496 . A 34 THR HG23 . 30875 1
60 . 1 . 1 10 10 THR CA C 13 62.8705 0.0000 . 1 . . . . A 34 THR CA . 30875 1
61 . 1 . 1 10 10 THR CB C 13 70.6597 0.0000 . 1 . . . . A 34 THR CB . 30875 1
62 . 1 . 1 10 10 THR CG2 C 13 22.5130 0.0000 . 1 . . 5216 . A 34 THR CG2 . 30875 1
63 . 1 . 1 10 10 THR N N 15 115.1400 0.0000 . 1 . . 411850 . A 34 THR N . 30875 1
64 . 1 . 1 11 11 GLU H H 1 8.3508 0.0000 . 1 . . 411557 . A 35 GLU H . 30875 1
65 . 1 . 1 11 11 GLU HA H 1 4.2797 0.0000 . 1 . . 4640 . A 35 GLU HA . 30875 1
66 . 1 . 1 11 11 GLU HB2 H 1 2.1770 0.0000 . 2 . . 4667 . A 35 GLU HB2 . 30875 1
67 . 1 . 1 11 11 GLU HG2 H 1 2.1770 0.0000 . 2 . . 4667 . A 35 GLU HG2 . 30875 1
68 . 1 . 1 11 11 GLU CA C 13 57.2198 0.0000 . 1 . . . . A 35 GLU CA . 30875 1
69 . 1 . 1 11 11 GLU CB C 13 31.4982 0.0000 . 1 . . . . A 35 GLU CB . 30875 1
70 . 1 . 1 11 11 GLU CG C 13 37.0450 0.0000 . 1 . . 5462 . A 35 GLU CG . 30875 1
71 . 1 . 1 11 11 GLU N N 15 123.4263 0.0000 . 1 . . 411558 . A 35 GLU N . 30875 1
72 . 1 . 1 12 12 ASN H H 1 8.4355 0.0000 . 1 . . 411671 . A 36 ASN H . 30875 1
73 . 1 . 1 12 12 ASN HA H 1 4.8841 0.0000 . 1 . . . . A 36 ASN HA . 30875 1
74 . 1 . 1 12 12 ASN HB2 H 1 2.8854 0.0000 . 2 . . . . A 36 ASN HB2 . 30875 1
75 . 1 . 1 12 12 ASN HB3 H 1 2.8053 0.0000 . 2 . . . . A 36 ASN HB3 . 30875 1
76 . 1 . 1 12 12 ASN CA C 13 52.1768 0.0000 . 1 . . . . A 36 ASN CA . 30875 1
77 . 1 . 1 12 12 ASN CB C 13 40.0488 0.0000 . 1 . . . . A 36 ASN CB . 30875 1
78 . 1 . 1 12 12 ASN N N 15 120.2862 0.0000 . 1 . . 411672 . A 36 ASN N . 30875 1
79 . 1 . 1 13 13 PRO HA H 1 4.3532 0.0000 . 1 . . . . A 37 PRO HA . 30875 1
80 . 1 . 1 13 13 PRO HB2 H 1 2.3424 0.0000 . 2 . . . . A 37 PRO HB2 . 30875 1
81 . 1 . 1 13 13 PRO HB3 H 1 1.8424 0.0000 . 2 . . . . A 37 PRO HB3 . 30875 1
82 . 1 . 1 13 13 PRO HG2 H 1 2.0287 0.0000 . 2 . . . . A 37 PRO HG2 . 30875 1
83 . 1 . 1 13 13 PRO HD2 H 1 3.8712 0.0000 . 2 . . . . A 37 PRO HD2 . 30875 1
84 . 1 . 1 13 13 PRO CA C 13 65.8575 0.0000 . 1 . . . . A 37 PRO CA . 30875 1
85 . 1 . 1 13 13 PRO CB C 13 33.3440 0.0000 . 1 . . . . A 37 PRO CB . 30875 1
86 . 1 . 1 13 13 PRO CG C 13 28.7065 0.0000 . 1 . . . . A 37 PRO CG . 30875 1
87 . 1 . 1 13 13 PRO CD C 13 52.1440 0.0000 . 1 . . . . A 37 PRO CD . 30875 1
88 . 1 . 1 14 14 CYS H H 1 8.1259 0.0000 . 1 . . 411815 . A 38 CYS H . 30875 1
89 . 1 . 1 14 14 CYS HA H 1 4.3064 0.0000 . 1 . . . . A 38 CYS HA . 30875 1
90 . 1 . 1 14 14 CYS HB2 H 1 3.1600 0.0000 . 2 . . 4415 . A 38 CYS HB2 . 30875 1
91 . 1 . 1 14 14 CYS HB3 H 1 3.0030 0.0000 . 2 . . 4418 . A 38 CYS HB3 . 30875 1
92 . 1 . 1 14 14 CYS CA C 13 58.4542 0.0000 . 1 . . . . A 38 CYS CA . 30875 1
93 . 1 . 1 14 14 CYS CB C 13 40.6521 0.0000 . 1 . . . . A 38 CYS CB . 30875 1
94 . 1 . 1 14 14 CYS N N 15 116.1225 0.0000 . 1 . . 411816 . A 38 CYS N . 30875 1
95 . 1 . 1 15 15 ALA H H 1 7.5364 0.0000 . 1 . . 411543 . A 39 ALA H . 30875 1
96 . 1 . 1 15 15 ALA HA H 1 4.0536 0.0000 . 1 . . 4814 . A 39 ALA HA . 30875 1
97 . 1 . 1 15 15 ALA HB1 H 1 1.3783 0.0000 . 1 . . 4826 . A 39 ALA HB1 . 30875 1
98 . 1 . 1 15 15 ALA HB2 H 1 1.3783 0.0000 . 1 . . 4826 . A 39 ALA HB2 . 30875 1
99 . 1 . 1 15 15 ALA HB3 H 1 1.3783 0.0000 . 1 . . 4826 . A 39 ALA HB3 . 30875 1
100 . 1 . 1 15 15 ALA CA C 13 56.0122 0.0000 . 1 . . . . A 39 ALA CA . 30875 1
101 . 1 . 1 15 15 ALA CB C 13 19.6826 0.0000 . 1 . . . . A 39 ALA CB . 30875 1
102 . 1 . 1 15 15 ALA N N 15 124.3691 0.0000 . 1 . . 411544 . A 39 ALA N . 30875 1
103 . 1 . 1 16 16 GLN H H 1 8.0135 0.0000 . 1 . . 411791 . A 40 GLN H . 30875 1
104 . 1 . 1 16 16 GLN HA H 1 3.8742 0.0000 . 1 . . . . A 40 GLN HA . 30875 1
105 . 1 . 1 16 16 GLN HB2 H 1 1.9681 0.0000 . 2 . . . . A 40 GLN HB2 . 30875 1
106 . 1 . 1 16 16 GLN HG2 H 1 2.3361 0.0000 . 2 . . . . A 40 GLN HG2 . 30875 1
107 . 1 . 1 16 16 GLN CA C 13 60.3184 0.0000 . 1 . . . . A 40 GLN CA . 30875 1
108 . 1 . 1 16 16 GLN CB C 13 29.5497 0.0000 . 1 . . . . A 40 GLN CB . 30875 1
109 . 1 . 1 16 16 GLN CG C 13 34.9506 0.0000 . 1 . . . . A 40 GLN CG . 30875 1
110 . 1 . 1 16 16 GLN N N 15 116.8255 0.0000 . 1 . . 411792 . A 40 GLN N . 30875 1
111 . 1 . 1 17 17 ARG H H 1 7.8015 0.0000 . 1 . . 411727 . A 41 ARG H . 30875 1
112 . 1 . 1 17 17 ARG HA H 1 4.0242 0.0000 . 1 . . . . A 41 ARG HA . 30875 1
113 . 1 . 1 17 17 ARG HB2 H 1 1.8499 0.0000 . 2 . . . . A 41 ARG HB2 . 30875 1
114 . 1 . 1 17 17 ARG HB3 H 1 1.7291 0.0000 . 2 . . . . A 41 ARG HB3 . 30875 1
115 . 1 . 1 17 17 ARG HG2 H 1 1.6911 0.0000 . 2 . . . . A 41 ARG HG2 . 30875 1
116 . 1 . 1 17 17 ARG HD2 H 1 3.1580 0.0000 . 2 . . . . A 41 ARG HD2 . 30875 1
117 . 1 . 1 17 17 ARG CA C 13 60.1239 0.0000 . 1 . . . . A 41 ARG CA . 30875 1
118 . 1 . 1 17 17 ARG CB C 13 30.9229 0.0000 . 1 . . . . A 41 ARG CB . 30875 1
119 . 1 . 1 17 17 ARG CG C 13 28.2504 0.0000 . 1 . . . . A 41 ARG CG . 30875 1
120 . 1 . 1 17 17 ARG CD C 13 44.4880 0.0000 . 1 . . . . A 41 ARG CD . 30875 1
121 . 1 . 1 17 17 ARG N N 15 118.9671 0.0000 . 1 . . 411728 . A 41 ARG N . 30875 1
122 . 1 . 1 18 18 CYS H H 1 7.6016 0.0000 . 1 . . 411665 . A 42 CYS H . 30875 1
123 . 1 . 1 18 18 CYS HA H 1 4.1399 0.0000 . 1 . . . . A 42 CYS HA . 30875 1
124 . 1 . 1 18 18 CYS HB2 H 1 3.3996 0.0000 . 2 . . 4538 . A 42 CYS HB2 . 30875 1
125 . 1 . 1 18 18 CYS HB3 H 1 2.8894 0.0000 . 2 . . 4544 . A 42 CYS HB3 . 30875 1
126 . 1 . 1 18 18 CYS CA C 13 60.8329 0.0000 . 1 . . . . A 42 CYS CA . 30875 1
127 . 1 . 1 18 18 CYS CB C 13 36.2178 0.0000 . 1 . . . . A 42 CYS CB . 30875 1
128 . 1 . 1 18 18 CYS N N 15 120.5486 0.0000 . 1 . . 411666 . A 42 CYS N . 30875 1
129 . 1 . 1 19 19 LEU H H 1 8.5294 0.0000 . 1 . . 411625 . A 43 LEU H . 30875 1
130 . 1 . 1 19 19 LEU HA H 1 3.8602 0.0000 . 1 . . . . A 43 LEU HA . 30875 1
131 . 1 . 1 19 19 LEU HB2 H 1 1.8572 0.0000 . 2 . . . . A 43 LEU HB2 . 30875 1
132 . 1 . 1 19 19 LEU HB3 H 1 1.4308 0.0000 . 2 . . . . A 43 LEU HB3 . 30875 1
133 . 1 . 1 19 19 LEU HD11 H 1 0.8786 0.0000 . 2 . . . . A 43 LEU HD11 . 30875 1
134 . 1 . 1 19 19 LEU HD12 H 1 0.8786 0.0000 . 2 . . . . A 43 LEU HD12 . 30875 1
135 . 1 . 1 19 19 LEU HD13 H 1 0.8786 0.0000 . 2 . . . . A 43 LEU HD13 . 30875 1
136 . 1 . 1 19 19 LEU HD21 H 1 0.7834 0.0000 . 2 . . . . A 43 LEU HD21 . 30875 1
137 . 1 . 1 19 19 LEU HD22 H 1 0.7834 0.0000 . 2 . . . . A 43 LEU HD22 . 30875 1
138 . 1 . 1 19 19 LEU HD23 H 1 0.7834 0.0000 . 2 . . . . A 43 LEU HD23 . 30875 1
139 . 1 . 1 19 19 LEU CA C 13 59.4944 0.0000 . 1 . . . . A 43 LEU CA . 30875 1
140 . 1 . 1 19 19 LEU CB C 13 42.7891 0.0000 . 1 . . . . A 43 LEU CB . 30875 1
141 . 1 . 1 19 19 LEU CD1 C 13 25.1413 0.0000 . 2 . . . . A 43 LEU CD1 . 30875 1
142 . 1 . 1 19 19 LEU CD2 C 13 26.3360 0.0000 . 2 . . . . A 43 LEU CD2 . 30875 1
143 . 1 . 1 19 19 LEU N N 15 121.3742 0.0000 . 1 . . 411626 . A 43 LEU N . 30875 1
144 . 1 . 1 20 20 GLN H H 1 7.9848 0.0000 . 1 . . 411719 . A 44 GLN H . 30875 1
145 . 1 . 1 20 20 GLN HA H 1 4.0242 0.0000 . 1 . . . . A 44 GLN HA . 30875 1
146 . 1 . 1 20 20 GLN HB2 H 1 2.1867 0.0000 . 2 . . . . A 44 GLN HB2 . 30875 1
147 . 1 . 1 20 20 GLN HB3 H 1 2.1219 0.0000 . 2 . . . . A 44 GLN HB3 . 30875 1
148 . 1 . 1 20 20 GLN HG2 H 1 2.4838 0.0000 . 2 . . . . A 44 GLN HG2 . 30875 1
149 . 1 . 1 20 20 GLN CA C 13 60.1239 0.0000 . 1 . . . . A 44 GLN CA . 30875 1
150 . 1 . 1 20 20 GLN CB C 13 29.2454 0.0000 . 1 . . . . A 44 GLN CB . 30875 1
151 . 1 . 1 20 20 GLN CG C 13 35.1532 0.0000 . 1 . . . . A 44 GLN CG . 30875 1
152 . 1 . 1 20 20 GLN N N 15 119.1645 0.0000 . 1 . . 411720 . A 44 GLN N . 30875 1
153 . 1 . 1 21 21 SER H H 1 7.8841 0.0000 . 1 . . 411819 . A 45 SER H . 30875 1
154 . 1 . 1 21 21 SER HA H 1 4.4248 0.0000 . 1 . . . . A 45 SER HA . 30875 1
155 . 1 . 1 21 21 SER HB2 H 1 4.0459 0.0000 . 2 . . 4649 . A 45 SER HB2 . 30875 1
156 . 1 . 1 21 21 SER CA C 13 62.7995 0.0000 . 1 . . . . A 45 SER CA . 30875 1
157 . 1 . 1 21 21 SER CB C 13 64.0264 0.0000 . 1 . . 5423 . A 45 SER CB . 30875 1
158 . 1 . 1 21 21 SER N N 15 116.1484 0.0000 . 1 . . 411820 . A 45 SER N . 30875 1
159 . 1 . 1 22 22 CYS H H 1 7.7748 0.0000 . 1 . . 411687 . A 46 CYS H . 30875 1
160 . 1 . 1 22 22 CYS HA H 1 4.2158 0.0000 . 1 . . . . A 46 CYS HA . 30875 1
161 . 1 . 1 22 22 CYS HB2 H 1 3.2991 0.0000 . 2 . . 4820 . A 46 CYS HB2 . 30875 1
162 . 1 . 1 22 22 CYS HB3 H 1 3.0970 0.0000 . 2 . . 4823 . A 46 CYS HB3 . 30875 1
163 . 1 . 1 22 22 CYS CA C 13 57.3431 0.0000 . 1 . . . . A 46 CYS CA . 30875 1
164 . 1 . 1 22 22 CYS CB C 13 36.9136 0.0000 . 1 . . . . A 46 CYS CB . 30875 1
165 . 1 . 1 22 22 CYS N N 15 120.0531 0.0000 . 1 . . 411688 . A 46 CYS N . 30875 1
166 . 1 . 1 23 23 GLN H H 1 7.6020 0.0000 . 1 . . 411783 . A 47 GLN H . 30875 1
167 . 1 . 1 23 23 GLN HA H 1 4.0000 0.0000 . 1 . . 4892 . A 47 GLN HA . 30875 1
168 . 1 . 1 23 23 GLN HB2 H 1 2.1730 0.0000 . 2 . . 4898 . A 47 GLN HB2 . 30875 1
169 . 1 . 1 23 23 GLN HG2 H 1 2.4770 0.0000 . 2 . . 4895 . A 47 GLN HG2 . 30875 1
170 . 1 . 1 23 23 GLN CA C 13 58.6374 0.0000 . 1 . . . . A 47 GLN CA . 30875 1
171 . 1 . 1 23 23 GLN CB C 13 28.9440 0.0000 . 1 . . 5834 . A 47 GLN CB . 30875 1
172 . 1 . 1 23 23 GLN CG C 13 35.0320 0.0000 . 1 . . 5831 . A 47 GLN CG . 30875 1
173 . 1 . 1 23 23 GLN N N 15 116.9827 0.0000 . 1 . . 411784 . A 47 GLN N . 30875 1
174 . 1 . 1 24 24 GLN H H 1 7.4419 0.0000 . 1 . . 411863 . A 48 GLN H . 30875 1
175 . 1 . 1 24 24 GLN HA H 1 4.2464 0.0000 . 1 . . 4532 . A 48 GLN HA . 30875 1
176 . 1 . 1 24 24 GLN HB2 H 1 2.0400 0.0000 . 2 . . 4550 . A 48 GLN HB2 . 30875 1
177 . 1 . 1 24 24 GLN HG2 H 1 2.4070 0.0000 . 2 . . 4547 . A 48 GLN HG2 . 30875 1
178 . 1 . 1 24 24 GLN CA C 13 56.7957 0.0000 . 1 . . . . A 48 GLN CA . 30875 1
179 . 1 . 1 24 24 GLN CB C 13 29.7947 0.0000 . 1 . . . . A 48 GLN CB . 30875 1
180 . 1 . 1 24 24 GLN CG C 13 35.1030 0.0000 . 1 . . 5306 . A 48 GLN CG . 30875 1
181 . 1 . 1 24 24 GLN N N 15 114.4448 0.0000 . 1 . . 411864 . A 48 GLN N . 30875 1
182 . 1 . 1 25 25 GLU H H 1 7.3460 0.0000 . 1 . . 411617 . A 49 GLU H . 30875 1
183 . 1 . 1 25 25 GLU HA H 1 4.5061 0.0000 . 1 . . . . A 49 GLU HA . 30875 1
184 . 1 . 1 25 25 GLU HB2 H 1 2.0867 0.0000 . 2 . . . . A 49 GLU HB2 . 30875 1
185 . 1 . 1 25 25 GLU HB3 H 1 1.9833 0.0000 . 2 . . . . A 49 GLU HB3 . 30875 1
186 . 1 . 1 25 25 GLU HG2 H 1 2.2484 0.0000 . 2 . . . . A 49 GLU HG2 . 30875 1
187 . 1 . 1 25 25 GLU CA C 13 54.8639 0.0000 . 1 . . . . A 49 GLU CA . 30875 1
188 . 1 . 1 25 25 GLU CB C 13 30.7132 0.0000 . 1 . . . . A 49 GLU CB . 30875 1
189 . 1 . 1 25 25 GLU CG C 13 37.2601 0.0000 . 1 . . . . A 49 GLU CG . 30875 1
190 . 1 . 1 25 25 GLU N N 15 121.6699 0.0000 . 1 . . 411618 . A 49 GLU N . 30875 1
191 . 1 . 1 26 26 PRO HA H 1 4.3769 0.0000 . 1 . . 4769 . A 50 PRO HA . 30875 1
192 . 1 . 1 26 26 PRO HB2 H 1 2.2305 0.0000 . 2 . . . . A 50 PRO HB2 . 30875 1
193 . 1 . 1 26 26 PRO HB3 H 1 1.9683 0.0000 . 2 . . . . A 50 PRO HB3 . 30875 1
194 . 1 . 1 26 26 PRO HG2 H 1 2.0330 0.0000 . 2 . . . . A 50 PRO HG2 . 30875 1
195 . 1 . 1 26 26 PRO HD2 H 1 3.8262 0.0000 . 2 . . . . A 50 PRO HD2 . 30875 1
196 . 1 . 1 26 26 PRO CA C 13 65.4560 0.0000 . 1 . . . . A 50 PRO CA . 30875 1
197 . 1 . 1 26 26 PRO CB C 13 33.2607 0.0000 . 1 . . . . A 50 PRO CB . 30875 1
198 . 1 . 1 26 26 PRO CG C 13 28.2561 0.0000 . 1 . . 5636 . A 50 PRO CG . 30875 1
199 . 1 . 1 26 26 PRO CD C 13 52.1823 0.0000 . 1 . . 5618 . A 50 PRO CD . 30875 1
200 . 1 . 1 27 27 ASP H H 1 8.0015 0.0000 . 1 . . 411739 . A 51 ASP H . 30875 1
201 . 1 . 1 27 27 ASP HA H 1 4.6746 0.0000 . 1 . . . . A 51 ASP HA . 30875 1
202 . 1 . 1 27 27 ASP HB2 H 1 2.8157 0.0000 . 2 . . 4511 . A 51 ASP HB2 . 30875 1
203 . 1 . 1 27 27 ASP HB3 H 1 2.7317 0.0000 . 2 . . . . A 51 ASP HB3 . 30875 1
204 . 1 . 1 27 27 ASP CA C 13 54.5879 0.0000 . 1 . . . . A 51 ASP CA . 30875 1
205 . 1 . 1 27 27 ASP CB C 13 44.0949 0.0000 . 1 . . 5225 . A 51 ASP CB . 30875 1
206 . 1 . 1 27 27 ASP N N 15 117.8672 0.0000 . 1 . . 411740 . A 51 ASP N . 30875 1
207 . 1 . 1 28 28 ASP H H 1 8.6257 0.0000 . 1 . . 411567 . A 52 ASP H . 30875 1
208 . 1 . 1 28 28 ASP HA H 1 4.2380 0.0000 . 1 . . . . A 52 ASP HA . 30875 1
209 . 1 . 1 28 28 ASP HB2 H 1 2.6506 0.0000 . 2 . . . . A 52 ASP HB2 . 30875 1
210 . 1 . 1 28 28 ASP HB3 H 1 2.5981 0.0000 . 2 . . . . A 52 ASP HB3 . 30875 1
211 . 1 . 1 28 28 ASP CA C 13 58.8091 0.0000 . 1 . . . . A 52 ASP CA . 30875 1
212 . 1 . 1 28 28 ASP CB C 13 42.6756 0.0000 . 1 . . . . A 52 ASP CB . 30875 1
213 . 1 . 1 28 28 ASP N N 15 122.7592 0.0000 . 1 . . 411568 . A 52 ASP N . 30875 1
214 . 1 . 1 29 29 LEU H H 1 8.0151 0.0000 . 1 . . 411673 . A 53 LEU H . 30875 1
215 . 1 . 1 29 29 LEU HA H 1 4.0533 0.0000 . 1 . . 4535 . A 53 LEU HA . 30875 1
216 . 1 . 1 29 29 LEU HB2 H 1 1.8603 0.0000 . 2 . . 4553 . A 53 LEU HB2 . 30875 1
217 . 1 . 1 29 29 LEU HB3 H 1 1.5194 0.0000 . 2 . . 4556 . A 53 LEU HB3 . 30875 1
218 . 1 . 1 29 29 LEU HG H 1 1.6870 0.0000 . 1 . . 6902 . A 53 LEU HG . 30875 1
219 . 1 . 1 29 29 LEU HD11 H 1 0.9080 0.0000 . 2 . . . . A 53 LEU HD11 . 30875 1
220 . 1 . 1 29 29 LEU HD12 H 1 0.9080 0.0000 . 2 . . . . A 53 LEU HD12 . 30875 1
221 . 1 . 1 29 29 LEU HD13 H 1 0.9080 0.0000 . 2 . . . . A 53 LEU HD13 . 30875 1
222 . 1 . 1 29 29 LEU HD21 H 1 0.8305 0.0000 . 2 . . . . A 53 LEU HD21 . 30875 1
223 . 1 . 1 29 29 LEU HD22 H 1 0.8305 0.0000 . 2 . . . . A 53 LEU HD22 . 30875 1
224 . 1 . 1 29 29 LEU HD23 H 1 0.8305 0.0000 . 2 . . . . A 53 LEU HD23 . 30875 1
225 . 1 . 1 29 29 LEU CA C 13 59.3294 0.0000 . 1 . . . . A 53 LEU CA . 30875 1
226 . 1 . 1 29 29 LEU CB C 13 42.2324 0.0000 . 1 . . . . A 53 LEU CB . 30875 1
227 . 1 . 1 29 29 LEU CG C 13 28.2080 0.0000 . 1 . . 5318 . A 53 LEU CG . 30875 1
228 . 1 . 1 29 29 LEU CD1 C 13 26.1714 0.0000 . 2 . . 5321 . A 53 LEU CD1 . 30875 1
229 . 1 . 1 29 29 LEU CD2 C 13 24.5562 0.0000 . 2 . . 5324 . A 53 LEU CD2 . 30875 1
230 . 1 . 1 29 29 LEU N N 15 120.3311 0.0000 . 1 . . 411674 . A 53 LEU N . 30875 1
231 . 1 . 1 30 30 LYS H H 1 8.5954 0.0000 . 1 . . 411627 . A 54 LYS H . 30875 1
232 . 1 . 1 30 30 LYS HA H 1 4.0230 0.0000 . 1 . . . . A 54 LYS HA . 30875 1
233 . 1 . 1 30 30 LYS HB2 H 1 1.8651 0.0000 . 2 . . . . A 54 LYS HB2 . 30875 1
234 . 1 . 1 30 30 LYS HG2 H 1 1.6349 0.0000 . 2 . . . . A 54 LYS HG2 . 30875 1
235 . 1 . 1 30 30 LYS HD2 H 1 1.6665 0.0000 . 2 . . . . A 54 LYS HD2 . 30875 1
236 . 1 . 1 30 30 LYS HD3 H 1 1.3668 0.0000 . 2 . . . . A 54 LYS HD3 . 30875 1
237 . 1 . 1 30 30 LYS HE2 H 1 2.9430 0.0000 . 2 . . . . A 54 LYS HE2 . 30875 1
238 . 1 . 1 30 30 LYS CA C 13 60.5400 0.0000 . 1 . . . . A 54 LYS CA . 30875 1
239 . 1 . 1 30 30 LYS CB C 13 33.8622 0.0000 . 1 . . . . A 54 LYS CB . 30875 1
240 . 1 . 1 30 30 LYS CG C 13 30.1350 0.0000 . 1 . . . . A 54 LYS CG . 30875 1
241 . 1 . 1 30 30 LYS CD C 13 27.5115 0.0000 . 1 . . . . A 54 LYS CD . 30875 1
242 . 1 . 1 30 30 LYS CE C 13 43.2500 0.0000 . 1 . . . . A 54 LYS CE . 30875 1
243 . 1 . 1 30 30 LYS N N 15 121.3529 0.0000 . 1 . . 411628 . A 54 LYS N . 30875 1
244 . 1 . 1 31 31 GLN H H 1 8.8762 0.0000 . 1 . . 411561 . A 55 GLN H . 30875 1
245 . 1 . 1 31 31 GLN HA H 1 3.7795 0.0000 . 1 . . 6905 . A 55 GLN HA . 30875 1
246 . 1 . 1 31 31 GLN HB2 H 1 2.1890 0.0000 . 2 . . 4706 . A 55 GLN HB2 . 30875 1
247 . 1 . 1 31 31 GLN HG2 H 1 2.4640 0.0000 . 2 . . 4703 . A 55 GLN HG2 . 30875 1
248 . 1 . 1 31 31 GLN CA C 13 61.7057 0.0000 . 1 . . . . A 55 GLN CA . 30875 1
249 . 1 . 1 31 31 GLN CB C 13 29.3964 0.0000 . 1 . . . . A 55 GLN CB . 30875 1
250 . 1 . 1 31 31 GLN CG C 13 35.0349 0.0000 . 1 . . 5504 . A 55 GLN CG . 30875 1
251 . 1 . 1 31 31 GLN N N 15 123.1995 0.0000 . 1 . . 411562 . A 55 GLN N . 30875 1
252 . 1 . 1 32 32 LYS H H 1 8.1739 0.0000 . 1 . . 411695 . A 56 LYS H . 30875 1
253 . 1 . 1 32 32 LYS HA H 1 4.0636 0.0000 . 1 . . 4502 . A 56 LYS HA . 30875 1
254 . 1 . 1 32 32 LYS HB2 H 1 1.8948 0.0000 . 2 . . 4520 . A 56 LYS HB2 . 30875 1
255 . 1 . 1 32 32 LYS HG2 H 1 1.5809 0.0000 . 2 . . . . A 56 LYS HG2 . 30875 1
256 . 1 . 1 32 32 LYS HG3 H 1 1.4943 0.0000 . 2 . . . . A 56 LYS HG3 . 30875 1
257 . 1 . 1 32 32 LYS HD2 H 1 1.5771 0.0000 . 2 . . 4523 . A 56 LYS HD2 . 30875 1
258 . 1 . 1 32 32 LYS HE2 H 1 2.9450 0.0000 . 2 . . 4508 . A 56 LYS HE2 . 30875 1
259 . 1 . 1 32 32 LYS CA C 13 60.3723 0.0000 . 1 . . . . A 56 LYS CA . 30875 1
260 . 1 . 1 32 32 LYS CB C 13 33.2496 0.0000 . 1 . . . . A 56 LYS CB . 30875 1
261 . 1 . 1 32 32 LYS CG C 13 26.7397 0.0000 . 1 . . 5258 . A 56 LYS CG . 30875 1
262 . 1 . 1 32 32 LYS CD C 13 29.7951 0.0000 . 1 . . 5252 . A 56 LYS CD . 30875 1
263 . 1 . 1 32 32 LYS CE C 13 43.1360 0.0000 . 1 . . 5231 . A 56 LYS CE . 30875 1
264 . 1 . 1 32 32 LYS N N 15 119.6835 0.0000 . 1 . . 411696 . A 56 LYS N . 30875 1
265 . 1 . 1 33 33 ALA H H 1 7.9012 0.0000 . 1 . . 411569 . A 57 ALA H . 30875 1
266 . 1 . 1 33 33 ALA HA H 1 4.1463 0.0000 . 1 . . 4643 . A 57 ALA HA . 30875 1
267 . 1 . 1 33 33 ALA HB1 H 1 1.4360 0.0000 . 1 . . 4691 . A 57 ALA HB1 . 30875 1
268 . 1 . 1 33 33 ALA HB2 H 1 1.4360 0.0000 . 1 . . 4691 . A 57 ALA HB2 . 30875 1
269 . 1 . 1 33 33 ALA HB3 H 1 1.4360 0.0000 . 1 . . 4691 . A 57 ALA HB3 . 30875 1
270 . 1 . 1 33 33 ALA CA C 13 56.1448 0.0000 . 1 . . . . A 57 ALA CA . 30875 1
271 . 1 . 1 33 33 ALA CB C 13 19.0381 0.0000 . 1 . . . . A 57 ALA CB . 30875 1
272 . 1 . 1 33 33 ALA N N 15 122.7601 0.0000 . 1 . . 411570 . A 57 ALA N . 30875 1
273 . 1 . 1 34 34 CYS H H 1 7.9227 0.0000 . 1 . . 411689 . A 58 CYS H . 30875 1
274 . 1 . 1 34 34 CYS HA H 1 4.1745 0.0000 . 1 . . . . A 58 CYS HA . 30875 1
275 . 1 . 1 34 34 CYS HB2 H 1 3.6213 0.0000 . 2 . . . . A 58 CYS HB2 . 30875 1
276 . 1 . 1 34 34 CYS HB3 H 1 3.0293 0.0000 . 2 . . . . A 58 CYS HB3 . 30875 1
277 . 1 . 1 34 34 CYS CA C 13 61.1893 0.0000 . 1 . . . . A 58 CYS CA . 30875 1
278 . 1 . 1 34 34 CYS CB C 13 35.9398 0.0000 . 1 . . . . A 58 CYS CB . 30875 1
279 . 1 . 1 34 34 CYS N N 15 119.9422 0.0000 . 1 . . 411690 . A 58 CYS N . 30875 1
280 . 1 . 1 35 35 GLU H H 1 8.5568 0.0000 . 1 . . 411647 . A 59 GLU H . 30875 1
281 . 1 . 1 35 35 GLU HA H 1 3.6751 0.0000 . 1 . . 4901 . A 59 GLU HA . 30875 1
282 . 1 . 1 35 35 GLU HB2 H 1 2.2751 0.0000 . 2 . . . . A 59 GLU HB2 . 30875 1
283 . 1 . 1 35 35 GLU HB3 H 1 2.0478 0.0000 . 2 . . . . A 59 GLU HB3 . 30875 1
284 . 1 . 1 35 35 GLU HG2 H 1 2.5954 0.0000 . 2 . . 4904 . A 59 GLU HG2 . 30875 1
285 . 1 . 1 35 35 GLU HG3 H 1 1.9932 0.0000 . 2 . . 4907 . A 59 GLU HG3 . 30875 1
286 . 1 . 1 35 35 GLU CA C 13 61.0035 0.0000 . 1 . . . . A 59 GLU CA . 30875 1
287 . 1 . 1 35 35 GLU CB C 13 29.9354 0.0000 . 1 . . . . A 59 GLU CB . 30875 1
288 . 1 . 1 35 35 GLU CG C 13 37.9517 0.0000 . 1 . . 5840 . A 59 GLU CG . 30875 1
289 . 1 . 1 35 35 GLU N N 15 121.0061 0.0000 . 1 . . 411648 . A 59 GLU N . 30875 1
290 . 1 . 1 36 36 SER H H 1 8.0170 0.0000 . 1 . . 411889 . A 60 SER H . 30875 1
291 . 1 . 1 36 36 SER HA H 1 4.1949 0.0000 . 1 . . . . A 60 SER HA . 30875 1
292 . 1 . 1 36 36 SER HB2 H 1 3.9593 0.0000 . 2 . . 4568 . A 60 SER HB2 . 30875 1
293 . 1 . 1 36 36 SER CA C 13 62.4110 0.0000 . 1 . . . . A 60 SER CA . 30875 1
294 . 1 . 1 36 36 SER CB C 13 64.0674 0.0000 . 1 . . . . A 60 SER CB . 30875 1
295 . 1 . 1 36 36 SER N N 15 114.0156 0.0000 . 1 . . 411890 . A 60 SER N . 30875 1
296 . 1 . 1 37 37 ARG H H 1 7.6605 0.0000 . 1 . . 411643 . A 61 ARG H . 30875 1
297 . 1 . 1 37 37 ARG HA H 1 4.0710 0.0000 . 1 . . 4838 . A 61 ARG HA . 30875 1
298 . 1 . 1 37 37 ARG HB2 H 1 1.9676 0.0000 . 2 . . 4859 . A 61 ARG HB2 . 30875 1
299 . 1 . 1 37 37 ARG HG2 H 1 1.7703 0.0000 . 2 . . 4865 . A 61 ARG HG2 . 30875 1
300 . 1 . 1 37 37 ARG HG3 H 1 1.5256 0.0000 . 2 . . . . A 61 ARG HG3 . 30875 1
301 . 1 . 1 37 37 ARG HD2 H 1 3.2091 0.0000 . 2 . . 4844 . A 61 ARG HD2 . 30875 1
302 . 1 . 1 37 37 ARG CA C 13 60.2837 0.0000 . 1 . . . . A 61 ARG CA . 30875 1
303 . 1 . 1 37 37 ARG CB C 13 30.9542 0.0000 . 1 . . . . A 61 ARG CB . 30875 1
304 . 1 . 1 37 37 ARG CG C 13 29.0893 0.0000 . 1 . . 5771 . A 61 ARG CG . 30875 1
305 . 1 . 1 37 37 ARG CD C 13 44.6033 0.0000 . 1 . . 5753 . A 61 ARG CD . 30875 1
306 . 1 . 1 37 37 ARG N N 15 120.9725 0.0000 . 1 . . 411644 . A 61 ARG N . 30875 1
307 . 1 . 1 38 38 CYS H H 1 8.0385 0.0000 . 1 . . 411817 . A 62 CYS H . 30875 1
308 . 1 . 1 38 38 CYS HA H 1 4.5239 0.0000 . 1 . . . . A 62 CYS HA . 30875 1
309 . 1 . 1 38 38 CYS HB2 H 1 3.1212 0.0000 . 2 . . 4982 . A 62 CYS HB2 . 30875 1
310 . 1 . 1 38 38 CYS HB3 H 1 3.0678 0.0000 . 2 . . . . A 62 CYS HB3 . 30875 1
311 . 1 . 1 38 38 CYS CA C 13 56.7392 0.0000 . 1 . . . . A 62 CYS CA . 30875 1
312 . 1 . 1 38 38 CYS CB C 13 37.2721 0.0000 . 1 . . . . A 62 CYS CB . 30875 1
313 . 1 . 1 38 38 CYS N N 15 116.0863 0.0000 . 1 . . 411818 . A 62 CYS N . 30875 1
314 . 1 . 1 39 39 THR H H 1 7.7870 0.0000 . 1 . . 411971 . A 63 THR H . 30875 1
315 . 1 . 1 39 39 THR HA H 1 4.1538 0.0000 . 1 . . 4694 . A 63 THR HA . 30875 1
316 . 1 . 1 39 39 THR HB H 1 4.3748 0.0000 . 1 . . 4646 . A 63 THR HB . 30875 1
317 . 1 . 1 39 39 THR HG21 H 1 1.2956 0.0000 . 1 . . 4715 . A 63 THR HG21 . 30875 1
318 . 1 . 1 39 39 THR HG22 H 1 1.2956 0.0000 . 1 . . 4715 . A 63 THR HG22 . 30875 1
319 . 1 . 1 39 39 THR HG23 H 1 1.2956 0.0000 . 1 . . 4715 . A 63 THR HG23 . 30875 1
320 . 1 . 1 39 39 THR CA C 13 65.3458 0.0000 . 1 . . . . A 63 THR CA . 30875 1
321 . 1 . 1 39 39 THR CB C 13 70.2444 0.0000 . 1 . . . . A 63 THR CB . 30875 1
322 . 1 . 1 39 39 THR CG2 C 13 23.0074 0.0000 . 1 . . 5525 . A 63 THR CG2 . 30875 1
323 . 1 . 1 39 39 THR N N 15 109.7145 0.0000 . 1 . . 411972 . A 63 THR N . 30875 1
324 . 1 . 1 40 40 LYS H H 1 7.4347 0.0000 . 1 . . 411691 . A 64 LYS H . 30875 1
325 . 1 . 1 40 40 LYS HA H 1 4.3399 0.0000 . 1 . . . . A 64 LYS HA . 30875 1
326 . 1 . 1 40 40 LYS HB2 H 1 2.0163 0.0000 . 2 . . . . A 64 LYS HB2 . 30875 1
327 . 1 . 1 40 40 LYS HG2 H 1 1.4788 0.0000 . 2 . . . . A 64 LYS HG2 . 30875 1
328 . 1 . 1 40 40 LYS HD2 H 1 1.6391 0.0000 . 2 . . . . A 64 LYS HD2 . 30875 1
329 . 1 . 1 40 40 LYS HE2 H 1 2.9428 0.0000 . 2 . . . . A 64 LYS HE2 . 30875 1
330 . 1 . 1 40 40 LYS CA C 13 57.3697 0.0000 . 1 . . . . A 64 LYS CA . 30875 1
331 . 1 . 1 40 40 LYS CB C 13 33.5708 0.0000 . 1 . . . . A 64 LYS CB . 30875 1
332 . 1 . 1 40 40 LYS CG C 13 25.8700 0.0000 . 1 . . . . A 64 LYS CG . 30875 1
333 . 1 . 1 40 40 LYS CD C 13 29.7970 0.0000 . 1 . . . . A 64 LYS CD . 30875 1
334 . 1 . 1 40 40 LYS CE C 13 43.2600 0.0000 . 1 . . . . A 64 LYS CE . 30875 1
335 . 1 . 1 40 40 LYS N N 15 119.8696 0.0000 . 1 . . 411692 . A 64 LYS N . 30875 1
336 . 1 . 1 41 41 LEU H H 1 7.2476 0.0000 . 1 . . 411675 . A 65 LEU H . 30875 1
337 . 1 . 1 41 41 LEU HA H 1 4.1327 0.0000 . 1 . . . . A 65 LEU HA . 30875 1
338 . 1 . 1 41 41 LEU HB2 H 1 1.5695 0.0000 . 2 . . . . A 65 LEU HB2 . 30875 1
339 . 1 . 1 41 41 LEU HB3 H 1 1.2813 0.0000 . 2 . . . . A 65 LEU HB3 . 30875 1
340 . 1 . 1 41 41 LEU HG H 1 1.7587 0.0000 . 1 . . . . A 65 LEU HG . 30875 1
341 . 1 . 1 41 41 LEU HD11 H 1 0.8461 0.0000 . 2 . . . . A 65 LEU HD11 . 30875 1
342 . 1 . 1 41 41 LEU HD12 H 1 0.8461 0.0000 . 2 . . . . A 65 LEU HD12 . 30875 1
343 . 1 . 1 41 41 LEU HD13 H 1 0.8461 0.0000 . 2 . . . . A 65 LEU HD13 . 30875 1
344 . 1 . 1 41 41 LEU HD21 H 1 0.7932 0.0000 . 2 . . . . A 65 LEU HD21 . 30875 1
345 . 1 . 1 41 41 LEU HD22 H 1 0.7932 0.0000 . 2 . . . . A 65 LEU HD22 . 30875 1
346 . 1 . 1 41 41 LEU HD23 H 1 0.7932 0.0000 . 2 . . . . A 65 LEU HD23 . 30875 1
347 . 1 . 1 41 41 LEU CA C 13 56.6090 0.0000 . 1 . . . . A 65 LEU CA . 30875 1
348 . 1 . 1 41 41 LEU CB C 13 43.3008 0.0000 . 1 . . . . A 65 LEU CB . 30875 1
349 . 1 . 1 41 41 LEU CG C 13 27.7595 0.0000 . 1 . . . . A 65 LEU CG . 30875 1
350 . 1 . 1 41 41 LEU CD1 C 13 27.1315 0.0000 . 2 . . . . A 65 LEU CD1 . 30875 1
351 . 1 . 1 41 41 LEU CD2 C 13 24.0804 0.0000 . 2 . . . . A 65 LEU CD2 . 30875 1
352 . 1 . 1 41 41 LEU N N 15 120.2395 0.0000 . 1 . . 411676 . A 65 LEU N . 30875 1
353 . 1 . 1 42 42 GLU H H 1 8.1712 0.0000 . 1 . . 411649 . A 66 GLU H . 30875 1
354 . 1 . 1 42 42 GLU HA H 1 4.2062 0.0000 . 1 . . 4562 . A 66 GLU HA . 30875 1
355 . 1 . 1 42 42 GLU HB2 H 1 1.9531 0.0000 . 2 . . 4589 . A 66 GLU HB2 . 30875 1
356 . 1 . 1 42 42 GLU HB3 H 1 1.8691 0.0000 . 2 . . . . A 66 GLU HB3 . 30875 1
357 . 1 . 1 42 42 GLU HG2 H 1 2.1847 0.0000 . 2 . . 4586 . A 66 GLU HG2 . 30875 1
358 . 1 . 1 42 42 GLU CA C 13 57.1122 0.0000 . 1 . . . . A 66 GLU CA . 30875 1
359 . 1 . 1 42 42 GLU CB C 13 31.3896 0.0000 . 1 . . . . A 66 GLU CB . 30875 1
360 . 1 . 1 42 42 GLU CG C 13 37.1837 0.0000 . 1 . . 5357 . A 66 GLU CG . 30875 1
361 . 1 . 1 42 42 GLU N N 15 120.9933 0.0000 . 1 . . 411650 . A 66 GLU N . 30875 1
362 . 1 . 1 43 43 TYR H H 1 8.3673 0.0000 . 1 . . 411637 . A 67 TYR H . 30875 1
363 . 1 . 1 43 43 TYR HA H 1 4.4573 0.0000 . 1 . . . . A 67 TYR HA . 30875 1
364 . 1 . 1 43 43 TYR HB2 H 1 2.9160 0.0000 . 2 . . 4391 . A 67 TYR HB2 . 30875 1
365 . 1 . 1 43 43 TYR HD1 H 1 7.0449 0.0000 . 3 . . . . A 67 TYR HD1 . 30875 1
366 . 1 . 1 43 43 TYR HE1 H 1 6.7480 0.0000 . 3 . . . . A 67 TYR HE1 . 30875 1
367 . 1 . 1 43 43 TYR CA C 13 59.2706 0.0000 . 1 . . . . A 67 TYR CA . 30875 1
368 . 1 . 1 43 43 TYR CB C 13 39.8740 0.0000 . 1 . . . . A 67 TYR CB . 30875 1
369 . 1 . 1 43 43 TYR CD1 C 13 128.0290 0.0000 . 3 . . . . A 67 TYR CD1 . 30875 1
370 . 1 . 1 43 43 TYR CE1 C 13 113.0640 0.0000 . 3 . . . . A 67 TYR CE1 . 30875 1
371 . 1 . 1 43 43 TYR N N 15 121.2247 0.0000 . 1 . . 411638 . A 67 TYR N . 30875 1
372 . 1 . 1 44 44 ASP H H 1 7.4798 0.0000 . 1 . . 411467 . A 68 ASP H . 30875 1
373 . 1 . 1 44 44 ASP HA H 1 4.7300 0.0000 . 1 . . . . A 68 ASP HA . 30875 1
374 . 1 . 1 44 44 ASP HB2 H 1 2.8068 0.0000 . 2 . . . . A 68 ASP HB2 . 30875 1
375 . 1 . 1 44 44 ASP HB3 H 1 2.5811 0.0000 . 2 . . . . A 68 ASP HB3 . 30875 1
376 . 1 . 1 44 44 ASP CA C 13 52.5219 0.0000 . 1 . . . . A 68 ASP CA . 30875 1
377 . 1 . 1 44 44 ASP CB C 13 44.3379 0.0000 . 1 . . . . A 68 ASP CB . 30875 1
378 . 1 . 1 44 44 ASP N N 15 126.7161 0.0000 . 1 . . 411468 . A 68 ASP N . 30875 1
379 . 1 . 1 45 45 PRO HA H 1 4.1538 0.0000 . 1 . . 4784 . A 69 PRO HA . 30875 1
380 . 1 . 1 45 45 PRO HB2 H 1 2.0342 0.0000 . 2 . . 4796 . A 69 PRO HB2 . 30875 1
381 . 1 . 1 45 45 PRO HB3 H 1 1.9791 0.0000 . 2 . . . . A 69 PRO HB3 . 30875 1
382 . 1 . 1 45 45 PRO HG2 H 1 2.3940 0.0000 . 2 . . 4799 . A 69 PRO HG2 . 30875 1
383 . 1 . 1 45 45 PRO HD2 H 1 3.8300 0.0000 . 2 . . . . A 69 PRO HD2 . 30875 1
384 . 1 . 1 45 45 PRO HD3 H 1 3.6546 0.0000 . 2 . . . . A 69 PRO HD3 . 30875 1
385 . 1 . 1 45 45 PRO CA C 13 65.3458 0.0000 . 1 . . . . A 69 PRO CA . 30875 1
386 . 1 . 1 45 45 PRO CB C 13 28.2137 0.0000 . 1 . . . . A 69 PRO CB . 30875 1
387 . 1 . 1 45 45 PRO CG C 13 33.3438 0.0000 . 1 . . 5684 . A 69 PRO CG . 30875 1
388 . 1 . 1 45 45 PRO CD C 13 52.3855 0.0000 . 1 . . 5654 . A 69 PRO CD . 30875 1
389 . 1 . 1 46 46 ARG H H 1 8.6045 0.0000 . 1 . . 411749 . A 70 ARG H . 30875 1
390 . 1 . 1 46 46 ARG HA H 1 4.1547 0.0000 . 1 . . . . A 70 ARG HA . 30875 1
391 . 1 . 1 46 46 ARG HB2 H 1 1.6297 0.0000 . 2 . . . . A 70 ARG HB2 . 30875 1
392 . 1 . 1 46 46 ARG HB3 H 1 1.8440 0.0000 . 2 . . . . A 70 ARG HB3 . 30875 1
393 . 1 . 1 46 46 ARG HG2 H 1 1.5816 0.0000 . 2 . . . . A 70 ARG HG2 . 30875 1
394 . 1 . 1 46 46 ARG HD2 H 1 3.1660 0.0000 . 2 . . . . A 70 ARG HD2 . 30875 1
395 . 1 . 1 46 46 ARG CA C 13 58.0290 0.0000 . 1 . . . . A 70 ARG CA . 30875 1
396 . 1 . 1 46 46 ARG CB C 13 30.7207 0.0000 . 1 . . . . A 70 ARG CB . 30875 1
397 . 1 . 1 46 46 ARG CG C 13 28.2434 0.0000 . 1 . . . . A 70 ARG CG . 30875 1
398 . 1 . 1 46 46 ARG CD C 13 44.2000 0.0000 . 1 . . . . A 70 ARG CD . 30875 1
399 . 1 . 1 46 46 ARG N N 15 117.3460 0.0000 . 1 . . 411750 . A 70 ARG N . 30875 1
400 . 1 . 1 47 47 CYS H H 1 8.0884 0.0000 . 1 . . 411755 . A 71 CYS H . 30875 1
401 . 1 . 1 47 47 CYS HA H 1 4.3300 0.0000 . 1 . . . . A 71 CYS HA . 30875 1
402 . 1 . 1 47 47 CYS HB2 H 1 3.3200 0.0000 . 2 . . 4652 . A 71 CYS HB2 . 30875 1
403 . 1 . 1 47 47 CYS HB3 H 1 3.1500 0.0000 . 2 . . 4655 . A 71 CYS HB3 . 30875 1
404 . 1 . 1 47 47 CYS CA C 13 57.7360 0.0000 . 1 . . . . A 71 CYS CA . 30875 1
405 . 1 . 1 47 47 CYS CB C 13 43.8330 0.0000 . 1 . . . . A 71 CYS CB . 30875 1
406 . 1 . 1 47 47 CYS N N 15 117.3152 0.0000 . 1 . . 411756 . A 71 CYS N . 30875 1
407 . 1 . 1 48 48 VAL H H 1 7.7286 0.0000 . 1 . . 411677 . A 72 VAL H . 30875 1
408 . 1 . 1 48 48 VAL HA H 1 4.0480 0.0000 . 1 . . 4430 . A 72 VAL HA . 30875 1
409 . 1 . 1 48 48 VAL HB H 1 2.0100 0.0000 . 1 . . 4433 . A 72 VAL HB . 30875 1
410 . 1 . 1 48 48 VAL HG11 H 1 0.8203 0.0000 . 2 . . . . A 72 VAL HG11 . 30875 1
411 . 1 . 1 48 48 VAL HG12 H 1 0.8203 0.0000 . 2 . . . . A 72 VAL HG12 . 30875 1
412 . 1 . 1 48 48 VAL HG13 H 1 0.8203 0.0000 . 2 . . . . A 72 VAL HG13 . 30875 1
413 . 1 . 1 48 48 VAL HG21 H 1 0.8565 0.0000 . 2 . . . . A 72 VAL HG21 . 30875 1
414 . 1 . 1 48 48 VAL HG22 H 1 0.8565 0.0000 . 2 . . . . A 72 VAL HG22 . 30875 1
415 . 1 . 1 48 48 VAL HG23 H 1 0.8565 0.0000 . 2 . . . . A 72 VAL HG23 . 30875 1
416 . 1 . 1 48 48 VAL CA C 13 63.5428 0.0000 . 1 . . . . A 72 VAL CA . 30875 1
417 . 1 . 1 48 48 VAL CB C 13 34.0347 0.0000 . 1 . . . . A 72 VAL CB . 30875 1
418 . 1 . 1 48 48 VAL CG1 C 13 22.2639 0.0000 . 2 . . . . A 72 VAL CG1 . 30875 1
419 . 1 . 1 48 48 VAL CG2 C 13 21.7752 0.0000 . 2 . . . . A 72 VAL CG2 . 30875 1
420 . 1 . 1 48 48 VAL N N 15 120.0899 0.0000 . 1 . . 411678 . A 72 VAL N . 30875 1
421 . 1 . 1 49 49 TYR H H 1 8.0786 0.0000 . 1 . . 411549 . A 73 TYR H . 30875 1
422 . 1 . 1 49 49 TYR HA H 1 4.5582 0.0000 . 1 . . . . A 73 TYR HA . 30875 1
423 . 1 . 1 49 49 TYR HB2 H 1 2.8842 0.0000 . 2 . . 4403 . A 73 TYR HB2 . 30875 1
424 . 1 . 1 49 49 TYR HD1 H 1 7.0063 0.0000 . 3 . . . . A 73 TYR HD1 . 30875 1
425 . 1 . 1 49 49 TYR HE1 H 1 6.7160 0.0000 . 3 . . . . A 73 TYR HE1 . 30875 1
426 . 1 . 1 49 49 TYR CA C 13 58.6356 0.0000 . 1 . . . . A 73 TYR CA . 30875 1
427 . 1 . 1 49 49 TYR CB C 13 40.2897 0.0000 . 1 . . . . A 73 TYR CB . 30875 1
428 . 1 . 1 49 49 TYR CD1 C 13 128.0758 0.0000 . 3 . . . . A 73 TYR CD1 . 30875 1
429 . 1 . 1 49 49 TYR CE1 C 13 112.9840 0.0000 . 3 . . . . A 73 TYR CE1 . 30875 1
430 . 1 . 1 49 49 TYR N N 15 123.6420 0.0000 . 1 . . 411550 . A 73 TYR N . 30875 1
431 . 1 . 1 50 50 ASP H H 1 8.1844 0.0000 . 1 . . 411507 . A 74 ASP H . 30875 1
432 . 1 . 1 50 50 ASP HA H 1 4.8044 0.0000 . 1 . . . . A 74 ASP HA . 30875 1
433 . 1 . 1 50 50 ASP HB2 H 1 2.6970 0.0000 . 2 . . . . A 74 ASP HB2 . 30875 1
434 . 1 . 1 50 50 ASP HB3 H 1 2.4453 0.0000 . 2 . . . . A 74 ASP HB3 . 30875 1
435 . 1 . 1 50 50 ASP CA C 13 52.0866 0.0000 . 1 . . . . A 74 ASP CA . 30875 1
436 . 1 . 1 50 50 ASP CB C 13 43.0066 0.0000 . 1 . . . . A 74 ASP CB . 30875 1
437 . 1 . 1 50 50 ASP N N 15 125.0451 0.0000 . 1 . . 411508 . A 74 ASP N . 30875 1
438 . 1 . 1 51 51 PRO HA H 1 4.2402 0.0000 . 1 . . 4718 . A 75 PRO HA . 30875 1
439 . 1 . 1 51 51 PRO HB2 H 1 2.2250 0.0000 . 2 . . 4730 . A 75 PRO HB2 . 30875 1
440 . 1 . 1 51 51 PRO HG2 H 1 1.9400 0.0000 . 2 . . 4733 . A 75 PRO HG2 . 30875 1
441 . 1 . 1 51 51 PRO HD2 H 1 3.4814 0.0000 . 2 . . 4757 . A 75 PRO HD2 . 30875 1
442 . 1 . 1 51 51 PRO CA C 13 64.8032 0.0000 . 1 . . . . A 75 PRO CA . 30875 1
443 . 1 . 1 51 51 PRO CB C 13 33.1213 0.0000 . 1 . . . . A 75 PRO CB . 30875 1
444 . 1 . 1 51 51 PRO CG C 13 27.8350 0.0000 . 1 . . 5567 . A 75 PRO CG . 30875 1
445 . 1 . 1 51 51 PRO CD C 13 51.8868 0.0000 . 1 . . 5537 . A 75 PRO CD . 30875 1
446 . 1 . 1 52 52 ARG H H 1 8.2170 0.0000 . 1 . . 411721 . A 76 ARG H . 30875 1
447 . 1 . 1 52 52 ARG HA H 1 4.1720 0.0000 . 1 . . 4994 . A 76 ARG HA . 30875 1
448 . 1 . 1 52 52 ARG HB2 H 1 1.7339 0.0000 . 2 . . 5000 . A 76 ARG HB2 . 30875 1
449 . 1 . 1 52 52 ARG HB3 H 1 1.7956 0.0000 . 2 . . . . A 76 ARG HB3 . 30875 1
450 . 1 . 1 52 52 ARG HG2 H 1 1.5800 0.0000 . 2 . . 5003 . A 76 ARG HG2 . 30875 1
451 . 1 . 1 52 52 ARG HD2 H 1 3.1440 0.0000 . 2 . . 4997 . A 76 ARG HD2 . 30875 1
452 . 1 . 1 52 52 ARG CA C 13 57.6460 0.0000 . 1 . . . . A 76 ARG CA . 30875 1
453 . 1 . 1 52 52 ARG CB C 13 31.2902 0.0000 . 1 . . . . A 76 ARG CB . 30875 1
454 . 1 . 1 52 52 ARG CG C 13 28.0010 0.0000 . 1 . . 5960 . A 76 ARG CG . 30875 1
455 . 1 . 1 52 52 ARG CD C 13 44.1770 0.0000 . 1 . . 5954 . A 76 ARG CD . 30875 1
456 . 1 . 1 52 52 ARG N N 15 119.0399 0.0000 . 1 . . 411722 . A 76 ARG N . 30875 1
457 . 1 . 1 53 53 GLY H H 1 8.0031 0.0000 . 1 . . 412007 . A 77 GLY H . 30875 1
458 . 1 . 1 53 53 GLY HA2 H 1 3.8608 0.0000 . 2 . . . . A 77 GLY HA2 . 30875 1
459 . 1 . 1 53 53 GLY HA3 H 1 3.8271 0.0000 . 2 . . . . A 77 GLY HA3 . 30875 1
460 . 1 . 1 53 53 GLY CA C 13 46.5258 0.0000 . 1 . . . . A 77 GLY CA . 30875 1
461 . 1 . 1 53 53 GLY N N 15 107.9510 0.0000 . 1 . . 412008 . A 77 GLY N . 30875 1
462 . 1 . 1 54 54 HIS HD2 H 1 7.1839 0.0000 . 1 . . . . A 78 HIS HD2 . 30875 1
463 . 1 . 1 54 54 HIS HE1 H 1 8.4063 0.0000 . 1 . . . . A 78 HIS HE1 . 30875 1
464 . 1 . 1 54 54 HIS CD2 C 13 115.0370 0.0000 . 1 . . . . A 78 HIS CD2 . 30875 1
465 . 1 . 1 54 54 HIS CE1 C 13 131.5708 0.0000 . 1 . . . . A 78 HIS CE1 . 30875 1
466 . 1 . 1 55 55 THR HA H 1 4.3369 0.0000 . 1 . . 4958 . A 79 THR HA . 30875 1
467 . 1 . 1 55 55 THR HB H 1 4.1996 0.0000 . 1 . . . . A 79 THR HB . 30875 1
468 . 1 . 1 55 55 THR HG21 H 1 1.1320 0.0000 . 1 . . 4976 . A 79 THR HG21 . 30875 1
469 . 1 . 1 55 55 THR HG22 H 1 1.1320 0.0000 . 1 . . 4976 . A 79 THR HG22 . 30875 1
470 . 1 . 1 55 55 THR HG23 H 1 1.1320 0.0000 . 1 . . 4976 . A 79 THR HG23 . 30875 1
471 . 1 . 1 55 55 THR CA C 13 63.1228 0.0000 . 1 . . . . A 79 THR CA . 30875 1
472 . 1 . 1 55 55 THR CB C 13 71.0333 0.0000 . 1 . . . . A 79 THR CB . 30875 1
473 . 1 . 1 55 55 THR CG2 C 13 22.4510 0.0000 . 1 . . 5933 . A 79 THR CG2 . 30875 1
474 . 1 . 1 56 56 GLY H H 1 8.3679 0.0000 . 1 . . 411927 . A 80 GLY H . 30875 1
475 . 1 . 1 56 56 GLY HA2 H 1 4.0046 0.0000 . 2 . . 4916 . A 80 GLY HA2 . 30875 1
476 . 1 . 1 56 56 GLY CA C 13 46.4209 0.0000 . 1 . . . . A 80 GLY CA . 30875 1
477 . 1 . 1 56 56 GLY N N 15 111.2362 0.0000 . 1 . . 411928 . A 80 GLY N . 30875 1
478 . 1 . 1 57 57 THR H H 1 8.0713 0.0000 . 1 . . 411899 . A 81 THR H . 30875 1
479 . 1 . 1 57 57 THR HA H 1 4.2260 0.0000 . 1 . . 4832 . A 81 THR HA . 30875 1
480 . 1 . 1 57 57 THR HG21 H 1 1.1540 0.0000 . 1 . . 4871 . A 81 THR HG21 . 30875 1
481 . 1 . 1 57 57 THR HG22 H 1 1.1540 0.0000 . 1 . . 4871 . A 81 THR HG22 . 30875 1
482 . 1 . 1 57 57 THR HG23 H 1 1.1540 0.0000 . 1 . . 4871 . A 81 THR HG23 . 30875 1
483 . 1 . 1 57 57 THR CA C 13 62.6947 0.0000 . 1 . . . . A 81 THR CA . 30875 1
484 . 1 . 1 57 57 THR CB C 13 70.9806 0.0000 . 1 . . . . A 81 THR CB . 30875 1
485 . 1 . 1 57 57 THR CG2 C 13 22.5080 0.0000 . 1 . . 5789 . A 81 THR CG2 . 30875 1
486 . 1 . 1 57 57 THR N N 15 113.4676 0.0000 . 1 . . 411900 . A 81 THR N . 30875 1
487 . 1 . 1 58 58 THR H H 1 8.1997 0.0000 . 1 . . 411823 . A 82 THR H . 30875 1
488 . 1 . 1 58 58 THR HB H 1 4.2286 0.0000 . 1 . . . . A 82 THR HB . 30875 1
489 . 1 . 1 58 58 THR CB C 13 71.0240 0.0000 . 1 . . . . A 82 THR CB . 30875 1
490 . 1 . 1 58 58 THR N N 15 116.0932 0.0000 . 1 . . 411824 . A 82 THR N . 30875 1
491 . 1 . 1 59 59 ASN H H 1 8.0635 0.0000 . 1 . . 411491 . A 83 ASN H . 30875 1
492 . 1 . 1 59 59 ASN HB2 H 1 2.8700 0.0000 . 2 . . . . A 83 ASN HB2 . 30875 1
493 . 1 . 1 59 59 ASN N N 15 126.4129 0.0000 . 1 . . 411492 . A 83 ASN N . 30875 1
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