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 34749
_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 NOESY' . . . 34749 1
2 '2D TOCSY' . . . 34749 1
3 '3D 1H-15N NOESY' . . . 34749 1
4 '3D 1H-15N TOCSY' . . . 34749 1
5 '3D HNHA' . . . 34749 1
6 '3D HNCA' . . . 34749 1
7 '3D HN(CO)CA' . . . 34749 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 26 26 GLU H H 1 8.478 0.004 . 1 . . . . A 26 GLU H . 34749 1
2 . 1 . 1 26 26 GLU HA H 1 4.176 0.003 . 1 . . . . A 26 GLU HA . 34749 1
3 . 1 . 1 26 26 GLU HB2 H 1 1.877 0.006 . 2 . . . . A 26 GLU HB2 . 34749 1
4 . 1 . 1 26 26 GLU HB3 H 1 1.877 0.006 . 2 . . . . A 26 GLU HB3 . 34749 1
5 . 1 . 1 26 26 GLU HG2 H 1 2.229 0.001 . 2 . . . . A 26 GLU HG2 . 34749 1
6 . 1 . 1 26 26 GLU HG3 H 1 2.229 0.001 . 2 . . . . A 26 GLU HG3 . 34749 1
7 . 1 . 1 26 26 GLU CA C 13 54.353 0.062 . 1 . . . . A 26 GLU CA . 34749 1
8 . 1 . 1 26 26 GLU N N 15 121.931 0.192 . 1 . . . . A 26 GLU N . 34749 1
9 . 1 . 1 27 27 LYS H H 1 8.063 0.002 . 1 . . . . A 27 LYS H . 34749 1
10 . 1 . 1 27 27 LYS HA H 1 4.969 0.008 . 1 . . . . A 27 LYS HA . 34749 1
11 . 1 . 1 27 27 LYS HB2 H 1 1.799 0.007 . 2 . . . . A 27 LYS HB2 . 34749 1
12 . 1 . 1 27 27 LYS HB3 H 1 1.435 0.003 . 2 . . . . A 27 LYS HB3 . 34749 1
13 . 1 . 1 27 27 LYS HG2 H 1 1.035 0.006 . 2 . . . . A 27 LYS HG2 . 34749 1
14 . 1 . 1 27 27 LYS HG3 H 1 1.035 0.006 . 2 . . . . A 27 LYS HG3 . 34749 1
15 . 1 . 1 27 27 LYS HD2 H 1 1.56 0.003 . 2 . . . . A 27 LYS HD2 . 34749 1
16 . 1 . 1 27 27 LYS HD3 H 1 1.56 0.003 . 2 . . . . A 27 LYS HD3 . 34749 1
17 . 1 . 1 27 27 LYS HE2 H 1 2.961 0.003 . 2 . . . . A 27 LYS HE2 . 34749 1
18 . 1 . 1 27 27 LYS HE3 H 1 2.961 0.003 . 2 . . . . A 27 LYS HE3 . 34749 1
19 . 1 . 1 27 27 LYS CA C 13 52.819 0.046 . 1 . . . . A 27 LYS CA . 34749 1
20 . 1 . 1 27 27 LYS N N 15 121.856 0.07 . 1 . . . . A 27 LYS N . 34749 1
21 . 1 . 1 28 28 TYR H H 1 8.563 0.026 . 1 . . . . A 28 TYR H . 34749 1
22 . 1 . 1 28 28 TYR HA H 1 4.598 0.005 . 1 . . . . A 28 TYR HA . 34749 1
23 . 1 . 1 28 28 TYR HB2 H 1 2.626 0.004 . 2 . . . . A 28 TYR HB2 . 34749 1
24 . 1 . 1 28 28 TYR HB3 H 1 3.122 0.01 . 2 . . . . A 28 TYR HB3 . 34749 1
25 . 1 . 1 28 28 TYR HD1 H 1 6.848 0.002 . 3 . . . . A 28 TYR HD1 . 34749 1
26 . 1 . 1 28 28 TYR HD2 H 1 6.848 0.002 . 3 . . . . A 28 TYR HD2 . 34749 1
27 . 1 . 1 28 28 TYR HE1 H 1 6.701 0.002 . 3 . . . . A 28 TYR HE1 . 34749 1
28 . 1 . 1 28 28 TYR HE2 H 1 6.701 0.002 . 3 . . . . A 28 TYR HE2 . 34749 1
29 . 1 . 1 28 28 TYR CA C 13 55.302 0.056 . 1 . . . . A 28 TYR CA . 34749 1
30 . 1 . 1 28 28 TYR N N 15 119.006 0.077 . 1 . . . . A 28 TYR N . 34749 1
31 . 1 . 1 29 29 CYS H H 1 7.656 0.002 . 1 . . . . A 29 CYS H . 34749 1
32 . 1 . 1 29 29 CYS HA H 1 4.101 0.003 . 1 . . . . A 29 CYS HA . 34749 1
33 . 1 . 1 29 29 CYS HB2 H 1 2.846 0.006 . 2 . . . . A 29 CYS HB2 . 34749 1
34 . 1 . 1 29 29 CYS HB3 H 1 3.251 0.001 . 2 . . . . A 29 CYS HB3 . 34749 1
35 . 1 . 1 29 29 CYS CA C 13 56.143 0.009 . 1 . . . . A 29 CYS CA . 34749 1
36 . 1 . 1 29 29 CYS N N 15 116.444 0.083 . 1 . . . . A 29 CYS N . 34749 1
37 . 1 . 1 30 30 CYS H H 1 7.351 0.003 . 1 . . . . A 30 CYS H . 34749 1
38 . 1 . 1 30 30 CYS HA H 1 4.525 0.015 . 1 . . . . A 30 CYS HA . 34749 1
39 . 1 . 1 30 30 CYS HB2 H 1 3.104 0.004 . 2 . . . . A 30 CYS HB2 . 34749 1
40 . 1 . 1 30 30 CYS HB3 H 1 2.924 0.008 . 2 . . . . A 30 CYS HB3 . 34749 1
41 . 1 . 1 30 30 CYS CA C 13 54.778 0.004 . 1 . . . . A 30 CYS CA . 34749 1
42 . 1 . 1 30 30 CYS N N 15 113.008 0.203 . 1 . . . . A 30 CYS N . 34749 1
43 . 1 . 1 31 31 GLU H H 1 9.073 0.004 . 1 . . . . A 31 GLU H . 34749 1
44 . 1 . 1 31 31 GLU HA H 1 4.421 0.007 . 1 . . . . A 31 GLU HA . 34749 1
45 . 1 . 1 31 31 GLU HB2 H 1 1.957 0.004 . 2 . . . . A 31 GLU HB2 . 34749 1
46 . 1 . 1 31 31 GLU HB3 H 1 1.733 0.005 . 2 . . . . A 31 GLU HB3 . 34749 1
47 . 1 . 1 31 31 GLU HG2 H 1 2.179 0.009 . 2 . . . . A 31 GLU HG2 . 34749 1
48 . 1 . 1 31 31 GLU HG3 H 1 2.179 0.009 . 2 . . . . A 31 GLU HG3 . 34749 1
49 . 1 . 1 31 31 GLU CA C 13 56.968 0.023 . 1 . . . . A 31 GLU CA . 34749 1
50 . 1 . 1 31 31 GLU N N 15 120.288 0.077 . 1 . . . . A 31 GLU N . 34749 1
51 . 1 . 1 32 32 GLU H H 1 8.768 0.003 . 1 . . . . A 32 GLU H . 34749 1
52 . 1 . 1 32 32 GLU HA H 1 4.034 0.005 . 1 . . . . A 32 GLU HA . 34749 1
53 . 1 . 1 32 32 GLU HB2 H 1 2.168 0.008 . 2 . . . . A 32 GLU HB2 . 34749 1
54 . 1 . 1 32 32 GLU HB3 H 1 1.984 0.004 . 2 . . . . A 32 GLU HB3 . 34749 1
55 . 1 . 1 32 32 GLU HG2 H 1 2.398 0.001 . 2 . . . . A 32 GLU HG2 . 34749 1
56 . 1 . 1 32 32 GLU HG3 H 1 2.347 0.009 . 2 . . . . A 32 GLU HG3 . 34749 1
57 . 1 . 1 32 32 GLU CA C 13 58.121 0.007 . 1 . . . . A 32 GLU CA . 34749 1
58 . 1 . 1 32 32 GLU N N 15 123.008 0.107 . 1 . . . . A 32 GLU N . 34749 1
59 . 1 . 1 33 33 ALA H H 1 8.974 0.003 . 1 . . . . A 33 ALA H . 34749 1
60 . 1 . 1 33 33 ALA HA H 1 4.786 0.007 . 1 . . . . A 33 ALA HA . 34749 1
61 . 1 . 1 33 33 ALA HB1 H 1 1.833 0.003 . 1 . . . . A 33 ALA HB1 . 34749 1
62 . 1 . 1 33 33 ALA HB2 H 1 1.833 0.003 . 1 . . . . A 33 ALA HB2 . 34749 1
63 . 1 . 1 33 33 ALA HB3 H 1 1.833 0.003 . 1 . . . . A 33 ALA HB3 . 34749 1
64 . 1 . 1 33 33 ALA CA C 13 54.355 0.007 . 1 . . . . A 33 ALA CA . 34749 1
65 . 1 . 1 33 33 ALA N N 15 126.499 0.078 . 1 . . . . A 33 ALA N . 34749 1
66 . 1 . 1 34 34 SER H H 1 7.393 0.004 . 1 . . . . A 34 SER H . 34749 1
67 . 1 . 1 34 34 SER HA H 1 2.204 0.003 . 1 . . . . A 34 SER HA . 34749 1
68 . 1 . 1 34 34 SER HB2 H 1 3.826 0.004 . 2 . . . . A 34 SER HB2 . 34749 1
69 . 1 . 1 34 34 SER HB3 H 1 3.508 0.004 . 2 . . . . A 34 SER HB3 . 34749 1
70 . 1 . 1 34 34 SER CA C 13 58.263 0.012 . 1 . . . . A 34 SER CA . 34749 1
71 . 1 . 1 34 34 SER N N 15 113.691 0.126 . 1 . . . . A 34 SER N . 34749 1
72 . 1 . 1 35 35 GLU H H 1 7.208 0.003 . 1 . . . . A 35 GLU H . 34749 1
73 . 1 . 1 35 35 GLU HA H 1 4.354 0.009 . 1 . . . . A 35 GLU HA . 34749 1
74 . 1 . 1 35 35 GLU HB2 H 1 2.023 0.013 . 2 . . . . A 35 GLU HB2 . 34749 1
75 . 1 . 1 35 35 GLU HB3 H 1 2.023 0.013 . 2 . . . . A 35 GLU HB3 . 34749 1
76 . 1 . 1 35 35 GLU HG2 H 1 2.23 0.01 . 2 . . . . A 35 GLU HG2 . 34749 1
77 . 1 . 1 35 35 GLU HG3 H 1 2.23 0.01 . 2 . . . . A 35 GLU HG3 . 34749 1
78 . 1 . 1 35 35 GLU CA C 13 55.653 0.028 . 1 . . . . A 35 GLU CA . 34749 1
79 . 1 . 1 35 35 GLU N N 15 121.34 0.092 . 1 . . . . A 35 GLU N . 34749 1
80 . 1 . 1 36 36 LYS H H 1 8.895 0.002 . 1 . . . . A 36 LYS H . 34749 1
81 . 1 . 1 36 36 LYS HA H 1 4.118 0.004 . 1 . . . . A 36 LYS HA . 34749 1
82 . 1 . 1 36 36 LYS HB2 H 1 2.014 0 . 2 . . . . A 36 LYS HB2 . 34749 1
83 . 1 . 1 36 36 LYS HB3 H 1 1.773 0 . 2 . . . . A 36 LYS HB3 . 34749 1
84 . 1 . 1 36 36 LYS HG2 H 1 1.414 0.011 . 2 . . . . A 36 LYS HG2 . 34749 1
85 . 1 . 1 36 36 LYS HG3 H 1 1.414 0.011 . 2 . . . . A 36 LYS HG3 . 34749 1
86 . 1 . 1 36 36 LYS HD2 H 1 1.58 0.004 . 2 . . . . A 36 LYS HD2 . 34749 1
87 . 1 . 1 36 36 LYS HD3 H 1 1.58 0.004 . 2 . . . . A 36 LYS HD3 . 34749 1
88 . 1 . 1 36 36 LYS CA C 13 54.772 0.034 . 1 . . . . A 36 LYS CA . 34749 1
89 . 1 . 1 36 36 LYS N N 15 117.096 0.309 . 1 . . . . A 36 LYS N . 34749 1
90 . 1 . 1 37 37 LYS H H 1 8.78 0.003 . 1 . . . . A 37 LYS H . 34749 1
91 . 1 . 1 37 37 LYS HA H 1 4.218 0.003 . 1 . . . . A 37 LYS HA . 34749 1
92 . 1 . 1 37 37 LYS HB2 H 1 2.13 0.009 . 2 . . . . A 37 LYS HB2 . 34749 1
93 . 1 . 1 37 37 LYS HB3 H 1 1.988 0.006 . 2 . . . . A 37 LYS HB3 . 34749 1
94 . 1 . 1 37 37 LYS HG2 H 1 1.362 0 . 2 . . . . A 37 LYS HG2 . 34749 1
95 . 1 . 1 37 37 LYS HG3 H 1 1.362 0 . 2 . . . . A 37 LYS HG3 . 34749 1
96 . 1 . 1 37 37 LYS HD2 H 1 1.175 0 . 2 . . . . A 37 LYS HD2 . 34749 1
97 . 1 . 1 37 37 LYS HD3 H 1 1.175 0 . 2 . . . . A 37 LYS HD3 . 34749 1
98 . 1 . 1 37 37 LYS CA C 13 53.761 0.001 . 1 . . . . A 37 LYS CA . 34749 1
99 . 1 . 1 37 37 LYS N N 15 114.745 0.126 . 1 . . . . A 37 LYS N . 34749 1
100 . 1 . 1 38 38 CYS H H 1 7.415 0.004 . 1 . . . . A 38 CYS H . 34749 1
101 . 1 . 1 38 38 CYS HA H 1 4.313 0.027 . 1 . . . . A 38 CYS HA . 34749 1
102 . 1 . 1 38 38 CYS HB2 H 1 2.932 0.007 . 2 . . . . A 38 CYS HB2 . 34749 1
103 . 1 . 1 38 38 CYS HB3 H 1 2.772 0.002 . 2 . . . . A 38 CYS HB3 . 34749 1
104 . 1 . 1 38 38 CYS CA C 13 55.741 0.034 . 1 . . . . A 38 CYS CA . 34749 1
105 . 1 . 1 38 38 CYS N N 15 115.96 0.174 . 1 . . . . A 38 CYS N . 34749 1
106 . 1 . 1 39 39 CYS H H 1 7.144 0.001 . 1 . . . . A 39 CYS H . 34749 1
107 . 1 . 1 39 39 CYS HA H 1 4.959 0.002 . 1 . . . . A 39 CYS HA . 34749 1
108 . 1 . 1 39 39 CYS HB2 H 1 3.239 0.004 . 2 . . . . A 39 CYS HB2 . 34749 1
109 . 1 . 1 39 39 CYS HB3 H 1 2.949 0.007 . 2 . . . . A 39 CYS HB3 . 34749 1
110 . 1 . 1 39 39 CYS CA C 13 53.974 0 . 1 . . . . A 39 CYS CA . 34749 1
111 . 1 . 1 39 39 CYS N N 15 119.791 0.19 . 1 . . . . A 39 CYS N . 34749 1
112 . 1 . 1 40 40 PRO HA H 1 4.49 0.002 . 1 . . . . A 40 PRO HA . 34749 1
113 . 1 . 1 40 40 PRO HB2 H 1 2.232 0.003 . 2 . . . . A 40 PRO HB2 . 34749 1
114 . 1 . 1 40 40 PRO HB3 H 1 2.232 0.003 . 2 . . . . A 40 PRO HB3 . 34749 1
115 . 1 . 1 40 40 PRO HG2 H 1 1.992 0.003 . 2 . . . . A 40 PRO HG2 . 34749 1
116 . 1 . 1 40 40 PRO HG3 H 1 1.9 0.003 . 2 . . . . A 40 PRO HG3 . 34749 1
117 . 1 . 1 40 40 PRO HD2 H 1 3.777 0.011 . 2 . . . . A 40 PRO HD2 . 34749 1
118 . 1 . 1 40 40 PRO HD3 H 1 3.654 0.008 . 2 . . . . A 40 PRO HD3 . 34749 1
119 . 1 . 1 40 40 PRO CA C 13 60.154 0.017 . 1 . . . . A 40 PRO CA . 34749 1
120 . 1 . 1 41 41 ALA H H 1 8.187 0.003 . 1 . . . . A 41 ALA H . 34749 1
121 . 1 . 1 41 41 ALA HA H 1 3.332 0.003 . 1 . . . . A 41 ALA HA . 34749 1
122 . 1 . 1 41 41 ALA HB1 H 1 1.014 0.002 . 1 . . . . A 41 ALA HB1 . 34749 1
123 . 1 . 1 41 41 ALA HB2 H 1 1.014 0.002 . 1 . . . . A 41 ALA HB2 . 34749 1
124 . 1 . 1 41 41 ALA HB3 H 1 1.014 0.002 . 1 . . . . A 41 ALA HB3 . 34749 1
125 . 1 . 1 41 41 ALA CA C 13 51.074 0.016 . 1 . . . . A 41 ALA CA . 34749 1
126 . 1 . 1 41 41 ALA N N 15 122.735 0.145 . 1 . . . . A 41 ALA N . 34749 1
127 . 1 . 1 42 42 GLY H H 1 9.267 0.002 . 1 . . . . A 42 GLY H . 34749 1
128 . 1 . 1 42 42 GLY HA2 H 1 4.08 0.01 . 2 . . . . A 42 GLY HA2 . 34749 1
129 . 1 . 1 42 42 GLY HA3 H 1 3.273 0.022 . 2 . . . . A 42 GLY HA3 . 34749 1
130 . 1 . 1 42 42 GLY CA C 13 42.388 0.022 . 1 . . . . A 42 GLY CA . 34749 1
131 . 1 . 1 42 42 GLY N N 15 112.762 0.163 . 1 . . . . A 42 GLY N . 34749 1
132 . 1 . 1 43 43 CYS H H 1 7.458 0.003 . 1 . . . . A 43 CYS H . 34749 1
133 . 1 . 1 43 43 CYS HA H 1 3.917 0.006 . 1 . . . . A 43 CYS HA . 34749 1
134 . 1 . 1 43 43 CYS HB2 H 1 3.256 0.004 . 2 . . . . A 43 CYS HB2 . 34749 1
135 . 1 . 1 43 43 CYS HB3 H 1 2.828 0.008 . 2 . . . . A 43 CYS HB3 . 34749 1
136 . 1 . 1 43 43 CYS CA C 13 59.34 0.009 . 1 . . . . A 43 CYS CA . 34749 1
137 . 1 . 1 43 43 CYS N N 15 122.572 0.144 . 1 . . . . A 43 CYS N . 34749 1
138 . 1 . 1 44 44 LYS H H 1 8.696 0.016 . 1 . . . . A 44 LYS H . 34749 1
139 . 1 . 1 44 44 LYS HA H 1 4.199 0.02 . 1 . . . . A 44 LYS HA . 34749 1
140 . 1 . 1 44 44 LYS HB2 H 1 1.873 0.011 . 2 . . . . A 44 LYS HB2 . 34749 1
141 . 1 . 1 44 44 LYS HB3 H 1 1.661 0.022 . 2 . . . . A 44 LYS HB3 . 34749 1
142 . 1 . 1 44 44 LYS HG2 H 1 1.543 0.125 . 2 . . . . A 44 LYS HG2 . 34749 1
143 . 1 . 1 44 44 LYS HG3 H 1 1.543 0.125 . 2 . . . . A 44 LYS HG3 . 34749 1
144 . 1 . 1 44 44 LYS HD2 H 1 1.542 0 . 2 . . . . A 44 LYS HD2 . 34749 1
145 . 1 . 1 44 44 LYS HD3 H 1 1.542 0 . 2 . . . . A 44 LYS HD3 . 34749 1
146 . 1 . 1 44 44 LYS CA C 13 54.112 0.002 . 1 . . . . A 44 LYS CA . 34749 1
147 . 1 . 1 44 44 LYS N N 15 127.691 0.156 . 1 . . . . A 44 LYS N . 34749 1
148 . 1 . 1 45 45 GLY H H 1 9.364 0.003 . 1 . . . . A 45 GLY H . 34749 1
149 . 1 . 1 45 45 GLY HA2 H 1 4.235 0.008 . 2 . . . . A 45 GLY HA2 . 34749 1
150 . 1 . 1 45 45 GLY HA3 H 1 3.816 0.006 . 2 . . . . A 45 GLY HA3 . 34749 1
151 . 1 . 1 45 45 GLY CA C 13 44.191 0.005 . 1 . . . . A 45 GLY CA . 34749 1
152 . 1 . 1 45 45 GLY N N 15 110.024 0.229 . 1 . . . . A 45 GLY N . 34749 1
153 . 1 . 1 46 46 ASP H H 1 8.375 0.002 . 1 . . . . A 46 ASP H . 34749 1
154 . 1 . 1 46 46 ASP HA H 1 4.947 0.005 . 1 . . . . A 46 ASP HA . 34749 1
155 . 1 . 1 46 46 ASP HB2 H 1 2.73 0.004 . 2 . . . . A 46 ASP HB2 . 34749 1
156 . 1 . 1 46 46 ASP HB3 H 1 2.511 0.005 . 2 . . . . A 46 ASP HB3 . 34749 1
157 . 1 . 1 46 46 ASP CA C 13 50.423 0.032 . 1 . . . . A 46 ASP CA . 34749 1
158 . 1 . 1 46 46 ASP N N 15 120.626 0.078 . 1 . . . . A 46 ASP N . 34749 1
159 . 1 . 1 47 47 CYS H H 1 7.966 0.003 . 1 . . . . A 47 CYS H . 34749 1
160 . 1 . 1 47 47 CYS HA H 1 4.122 0.01 . 1 . . . . A 47 CYS HA . 34749 1
161 . 1 . 1 47 47 CYS HB2 H 1 3.203 0.001 . 2 . . . . A 47 CYS HB2 . 34749 1
162 . 1 . 1 47 47 CYS HB3 H 1 2.782 0.015 . 2 . . . . A 47 CYS HB3 . 34749 1
163 . 1 . 1 47 47 CYS CA C 13 54.163 0.049 . 1 . . . . A 47 CYS CA . 34749 1
164 . 1 . 1 47 47 CYS N N 15 119.171 0.083 . 1 . . . . A 47 CYS N . 34749 1
165 . 1 . 1 48 48 LYS H H 1 8.147 0.003 . 1 . . . . A 48 LYS H . 34749 1
166 . 1 . 1 48 48 LYS HA H 1 4.031 0.003 . 1 . . . . A 48 LYS HA . 34749 1
167 . 1 . 1 48 48 LYS HB2 H 1 1.895 0 . 2 . . . . A 48 LYS HB2 . 34749 1
168 . 1 . 1 48 48 LYS HB3 H 1 1.851 0 . 2 . . . . A 48 LYS HB3 . 34749 1
169 . 1 . 1 48 48 LYS HG2 H 1 1.343 0.004 . 2 . . . . A 48 LYS HG2 . 34749 1
170 . 1 . 1 48 48 LYS HG3 H 1 1.343 0.004 . 2 . . . . A 48 LYS HG3 . 34749 1
171 . 1 . 1 48 48 LYS HE2 H 1 2.759 0.008 . 2 . . . . A 48 LYS HE2 . 34749 1
172 . 1 . 1 48 48 LYS HE3 H 1 2.759 0.008 . 2 . . . . A 48 LYS HE3 . 34749 1
173 . 1 . 1 48 48 LYS CA C 13 55.273 0.04 . 1 . . . . A 48 LYS CA . 34749 1
174 . 1 . 1 48 48 LYS N N 15 122.511 0.176 . 1 . . . . A 48 LYS N . 34749 1
175 . 1 . 1 49 49 CYS H H 1 7.318 0.004 . 1 . . . . A 49 CYS H . 34749 1
176 . 1 . 1 49 49 CYS HA H 1 4.027 0 . 1 . . . . A 49 CYS HA . 34749 1
177 . 1 . 1 49 49 CYS HB2 H 1 3.321 0.012 . 2 . . . . A 49 CYS HB2 . 34749 1
178 . 1 . 1 49 49 CYS HB3 H 1 3.321 0.012 . 2 . . . . A 49 CYS HB3 . 34749 1
179 . 1 . 1 49 49 CYS CA C 13 58.271 0.012 . 1 . . . . A 49 CYS CA . 34749 1
180 . 1 . 1 49 49 CYS N N 15 119.958 0.229 . 1 . . . . A 49 CYS N . 34749 1
181 . 1 . 1 50 50 ALA H H 1 9.133 0.002 . 1 . . . . A 50 ALA H . 34749 1
182 . 1 . 1 50 50 ALA HA H 1 4.249 0.002 . 1 . . . . A 50 ALA HA . 34749 1
183 . 1 . 1 50 50 ALA HB1 H 1 1.523 0.005 . 1 . . . . A 50 ALA HB1 . 34749 1
184 . 1 . 1 50 50 ALA HB2 H 1 1.523 0.005 . 1 . . . . A 50 ALA HB2 . 34749 1
185 . 1 . 1 50 50 ALA HB3 H 1 1.523 0.005 . 1 . . . . A 50 ALA HB3 . 34749 1
186 . 1 . 1 50 50 ALA CA C 13 52.566 0.023 . 1 . . . . A 50 ALA CA . 34749 1
187 . 1 . 1 50 50 ALA N N 15 131.9 0.117 . 1 . . . . A 50 ALA N . 34749 1
188 . 1 . 1 51 51 ASN H H 1 9.005 0.004 . 1 . . . . A 51 ASN H . 34749 1
189 . 1 . 1 51 51 ASN HA H 1 4.775 0.011 . 1 . . . . A 51 ASN HA . 34749 1
190 . 1 . 1 51 51 ASN HB2 H 1 2.784 0.005 . 2 . . . . A 51 ASN HB2 . 34749 1
191 . 1 . 1 51 51 ASN HB3 H 1 2.551 0.004 . 2 . . . . A 51 ASN HB3 . 34749 1
192 . 1 . 1 51 51 ASN HD21 H 1 7.57 0.001 . 2 . . . . A 51 ASN HD21 . 34749 1
193 . 1 . 1 51 51 ASN HD22 H 1 7.049 0.006 . 2 . . . . A 51 ASN HD22 . 34749 1
194 . 1 . 1 51 51 ASN CA C 13 53.787 0.064 . 1 . . . . A 51 ASN CA . 34749 1
195 . 1 . 1 51 51 ASN N N 15 117.098 0.303 . 1 . . . . A 51 ASN N . 34749 1
196 . 1 . 1 51 51 ASN ND2 N 15 113.627 0.154 . 1 . . . . A 51 ASN ND2 . 34749 1
197 . 1 . 1 52 52 CYS H H 1 8.787 0.003 . 1 . . . . A 52 CYS H . 34749 1
198 . 1 . 1 52 52 CYS HA H 1 4.402 0.005 . 1 . . . . A 52 CYS HA . 34749 1
199 . 1 . 1 52 52 CYS HB2 H 1 3.543 0.022 . 2 . . . . A 52 CYS HB2 . 34749 1
200 . 1 . 1 52 52 CYS HB3 H 1 2.908 0.015 . 2 . . . . A 52 CYS HB3 . 34749 1
201 . 1 . 1 52 52 CYS CA C 13 57.329 0.026 . 1 . . . . A 52 CYS CA . 34749 1
202 . 1 . 1 52 52 CYS N N 15 117.927 0.108 . 1 . . . . A 52 CYS N . 34749 1
203 . 1 . 1 53 53 HIS H H 1 7.573 0.004 . 1 . . . . A 53 HIS H . 34749 1
204 . 1 . 1 53 53 HIS HA H 1 4.609 0.004 . 1 . . . . A 53 HIS HA . 34749 1
205 . 1 . 1 53 53 HIS HB2 H 1 3.624 0.004 . 2 . . . . A 53 HIS HB2 . 34749 1
206 . 1 . 1 53 53 HIS HB3 H 1 3.473 0.004 . 2 . . . . A 53 HIS HB3 . 34749 1
207 . 1 . 1 53 53 HIS HD2 H 1 7.139 0.002 . 1 . . . . A 53 HIS HD2 . 34749 1
208 . 1 . 1 53 53 HIS HE1 H 1 7.47 0.003 . 1 . . . . A 53 HIS HE1 . 34749 1
209 . 1 . 1 53 53 HIS CA C 13 52.822 0.008 . 1 . . . . A 53 HIS CA . 34749 1
210 . 1 . 1 53 53 HIS N N 15 113.461 0.216 . 1 . . . . A 53 HIS N . 34749 1
211 . 1 . 1 54 54 CYS H H 1 7.308 0.006 . 1 . . . . A 54 CYS H . 34749 1
212 . 1 . 1 54 54 CYS HA H 1 4.224 0.004 . 1 . . . . A 54 CYS HA . 34749 1
213 . 1 . 1 54 54 CYS HB2 H 1 2.744 0.011 . 2 . . . . A 54 CYS HB2 . 34749 1
214 . 1 . 1 54 54 CYS HB3 H 1 2.689 0.004 . 2 . . . . A 54 CYS HB3 . 34749 1
215 . 1 . 1 54 54 CYS CA C 13 61.791 0.022 . 1 . . . . A 54 CYS CA . 34749 1
216 . 1 . 1 54 54 CYS N N 15 122.794 0.132 . 1 . . . . A 54 CYS N . 34749 1
217 . 1 . 1 55 55 ALA H H 1 8.111 0.004 . 1 . . . . A 55 ALA H . 34749 1
218 . 1 . 1 55 55 ALA HA H 1 4.333 0.01 . 1 . . . . A 55 ALA HA . 34749 1
219 . 1 . 1 55 55 ALA HB1 H 1 1.349 0.002 . 1 . . . . A 55 ALA HB1 . 34749 1
220 . 1 . 1 55 55 ALA HB2 H 1 1.349 0.002 . 1 . . . . A 55 ALA HB2 . 34749 1
221 . 1 . 1 55 55 ALA HB3 H 1 1.349 0.002 . 1 . . . . A 55 ALA HB3 . 34749 1
222 . 1 . 1 55 55 ALA CA C 13 51.155 0.018 . 1 . . . . A 55 ALA CA . 34749 1
223 . 1 . 1 55 55 ALA N N 15 120.341 0.111 . 1 . . . . A 55 ALA N . 34749 1
224 . 1 . 1 56 56 GLU H H 1 9.524 0.002 . 1 . . . . A 56 GLU H . 34749 1
225 . 1 . 1 56 56 GLU HA H 1 3.838 0.004 . 1 . . . . A 56 GLU HA . 34749 1
226 . 1 . 1 56 56 GLU HB2 H 1 2.167 0.006 . 2 . . . . A 56 GLU HB2 . 34749 1
227 . 1 . 1 56 56 GLU HB3 H 1 2.167 0.006 . 2 . . . . A 56 GLU HB3 . 34749 1
228 . 1 . 1 56 56 GLU HG2 H 1 2.041 0.004 . 1 . . . . A 56 GLU HG2 . 34749 1
229 . 1 . 1 56 56 GLU HG3 H 1 2.041 0.004 . 1 . . . . A 56 GLU HG3 . 34749 1
230 . 1 . 1 56 56 GLU CA C 13 55.034 0.006 . 1 . . . . A 56 GLU CA . 34749 1
231 . 1 . 1 56 56 GLU N N 15 117.983 0.13 . 1 . . . . A 56 GLU N . 34749 1
232 . 1 . 1 57 57 GLN H H 1 7.905 0.005 . 1 . . . . A 57 GLN H . 34749 1
233 . 1 . 1 57 57 GLN HA H 1 3.689 0.006 . 1 . . . . A 57 GLN HA . 34749 1
234 . 1 . 1 57 57 GLN HB2 H 1 2.14 0.005 . 2 . . . . A 57 GLN HB2 . 34749 1
235 . 1 . 1 57 57 GLN HB3 H 1 2.14 0.005 . 2 . . . . A 57 GLN HB3 . 34749 1
236 . 1 . 1 57 57 GLN HG2 H 1 2.333 0.012 . 2 . . . . A 57 GLN HG2 . 34749 1
237 . 1 . 1 57 57 GLN HG3 H 1 2.333 0.012 . 2 . . . . A 57 GLN HG3 . 34749 1
238 . 1 . 1 57 57 GLN HE21 H 1 7.484 0.002 . 2 . . . . A 57 GLN HE21 . 34749 1
239 . 1 . 1 57 57 GLN HE22 H 1 6.706 0.001 . 2 . . . . A 57 GLN HE22 . 34749 1
240 . 1 . 1 57 57 GLN CA C 13 55.54 0.057 . 1 . . . . A 57 GLN CA . 34749 1
241 . 1 . 1 57 57 GLN N N 15 107.114 0.127 . 1 . . . . A 57 GLN N . 34749 1
242 . 1 . 1 57 57 GLN NE2 N 15 110.688 0.048 . 1 . . . . A 57 GLN NE2 . 34749 1
243 . 1 . 1 58 58 LYS H H 1 7.974 0.01 . 1 . . . . A 58 LYS H . 34749 1
244 . 1 . 1 58 58 LYS HA H 1 4.679 0.004 . 1 . . . . A 58 LYS HA . 34749 1
245 . 1 . 1 58 58 LYS HB2 H 1 1.91 0.002 . 2 . . . . A 58 LYS HB2 . 34749 1
246 . 1 . 1 58 58 LYS HB3 H 1 1.803 0.004 . 2 . . . . A 58 LYS HB3 . 34749 1
247 . 1 . 1 58 58 LYS HG2 H 1 1.474 0.005 . 2 . . . . A 58 LYS HG2 . 34749 1
248 . 1 . 1 58 58 LYS HG3 H 1 1.474 0.005 . 2 . . . . A 58 LYS HG3 . 34749 1
249 . 1 . 1 58 58 LYS CA C 13 52.783 0.039 . 1 . . . . A 58 LYS CA . 34749 1
250 . 1 . 1 58 58 LYS N N 15 119.33 0.354 . 1 . . . . A 58 LYS N . 34749 1
251 . 1 . 1 59 59 GLN H H 1 8.167 0.004 . 1 . . . . A 59 GLN H . 34749 1
252 . 1 . 1 59 59 GLN HA H 1 4.814 0.007 . 1 . . . . A 59 GLN HA . 34749 1
253 . 1 . 1 59 59 GLN HB2 H 1 2.144 0.003 . 2 . . . . A 59 GLN HB2 . 34749 1
254 . 1 . 1 59 59 GLN HB3 H 1 1.897 0.002 . 2 . . . . A 59 GLN HB3 . 34749 1
255 . 1 . 1 59 59 GLN HG2 H 1 2.444 0.004 . 2 . . . . A 59 GLN HG2 . 34749 1
256 . 1 . 1 59 59 GLN HG3 H 1 2.444 0.004 . 2 . . . . A 59 GLN HG3 . 34749 1
257 . 1 . 1 59 59 GLN HE21 H 1 7.137 0.001 . 2 . . . . A 59 GLN HE21 . 34749 1
258 . 1 . 1 59 59 GLN HE22 H 1 7.7 0 . 2 . . . . A 59 GLN HE22 . 34749 1
259 . 1 . 1 59 59 GLN CA C 13 53.343 0.083 . 1 . . . . A 59 GLN CA . 34749 1
260 . 1 . 1 59 59 GLN N N 15 119.179 0.182 . 1 . . . . A 59 GLN N . 34749 1
261 . 1 . 1 59 59 GLN NE2 N 15 112.977 0.003 . 1 . . . . A 59 GLN NE2 . 34749 1
262 . 1 . 1 60 60 CYS H H 1 9.318 0.003 . 1 . . . . A 60 CYS H . 34749 1
263 . 1 . 1 60 60 CYS HA H 1 4.073 0.006 . 1 . . . . A 60 CYS HA . 34749 1
264 . 1 . 1 60 60 CYS HB2 H 1 2.947 0.002 . 2 . . . . A 60 CYS HB2 . 34749 1
265 . 1 . 1 60 60 CYS HB3 H 1 2.645 0.003 . 2 . . . . A 60 CYS HB3 . 34749 1
266 . 1 . 1 60 60 CYS CA C 13 58.767 0.007 . 1 . . . . A 60 CYS CA . 34749 1
267 . 1 . 1 60 60 CYS N N 15 125.36 0.056 . 1 . . . . A 60 CYS N . 34749 1
268 . 1 . 1 61 61 GLY H H 1 8.844 0.005 . 1 . . . . A 61 GLY H . 34749 1
269 . 1 . 1 61 61 GLY HA2 H 1 3.906 0.241 . 2 . . . . A 61 GLY HA2 . 34749 1
270 . 1 . 1 61 61 GLY HA3 H 1 3.906 0.241 . 2 . . . . A 61 GLY HA3 . 34749 1
271 . 1 . 1 61 61 GLY CA C 13 42.433 0.013 . 1 . . . . A 61 GLY CA . 34749 1
272 . 1 . 1 61 61 GLY N N 15 116.847 0.669 . 1 . . . . A 61 GLY N . 34749 1
273 . 1 . 1 62 62 ASP H H 1 8.195 0.003 . 1 . . . . A 62 ASP H . 34749 1
274 . 1 . 1 62 62 ASP HA H 1 4.415 0.003 . 1 . . . . A 62 ASP HA . 34749 1
275 . 1 . 1 62 62 ASP HB2 H 1 1.937 0.009 . 2 . . . . A 62 ASP HB2 . 34749 1
276 . 1 . 1 62 62 ASP HB3 H 1 1.895 0.003 . 2 . . . . A 62 ASP HB3 . 34749 1
277 . 1 . 1 62 62 ASP CA C 13 52.129 0.011 . 1 . . . . A 62 ASP CA . 34749 1
278 . 1 . 1 62 62 ASP N N 15 122.867 0.208 . 1 . . . . A 62 ASP N . 34749 1
279 . 1 . 1 63 63 LYS H H 1 8.887 0.004 . 1 . . . . A 63 LYS H . 34749 1
280 . 1 . 1 63 63 LYS CA C 13 55.597 0.017 . 1 . . . . A 63 LYS CA . 34749 1
281 . 1 . 1 63 63 LYS N N 15 128.887 0.044 . 1 . . . . A 63 LYS N . 34749 1
282 . 1 . 1 64 64 THR H H 1 8.871 0.003 . 1 . . . . A 64 THR H . 34749 1
283 . 1 . 1 64 64 THR HA H 1 4.715 0.01 . 1 . . . . A 64 THR HA . 34749 1
284 . 1 . 1 64 64 THR HB H 1 4.345 0.002 . 1 . . . . A 64 THR HB . 34749 1
285 . 1 . 1 64 64 THR HG21 H 1 1.22 0.032 . 1 . . . . A 64 THR HG21 . 34749 1
286 . 1 . 1 64 64 THR HG22 H 1 1.22 0.032 . 1 . . . . A 64 THR HG22 . 34749 1
287 . 1 . 1 64 64 THR HG23 H 1 1.22 0.032 . 1 . . . . A 64 THR HG23 . 34749 1
288 . 1 . 1 64 64 THR CA C 13 61.131 0.029 . 1 . . . . A 64 THR CA . 34749 1
289 . 1 . 1 64 64 THR N N 15 110.851 0.13 . 1 . . . . A 64 THR N . 34749 1
290 . 1 . 1 65 65 HIS H H 1 7.504 0.003 . 1 . . . . A 65 HIS H . 34749 1
291 . 1 . 1 65 65 HIS HA H 1 4.576 0.006 . 1 . . . . A 65 HIS HA . 34749 1
292 . 1 . 1 65 65 HIS HB2 H 1 3.154 0.005 . 2 . . . . A 65 HIS HB2 . 34749 1
293 . 1 . 1 65 65 HIS HB3 H 1 2.629 0.008 . 2 . . . . A 65 HIS HB3 . 34749 1
294 . 1 . 1 65 65 HIS HD2 H 1 6.751 0.003 . 1 . . . . A 65 HIS HD2 . 34749 1
295 . 1 . 1 65 65 HIS HE1 H 1 7.824 0.003 . 1 . . . . A 65 HIS HE1 . 34749 1
296 . 1 . 1 65 65 HIS HE2 H 1 6.037 0.001 . 1 . . . . A 65 HIS HE2 . 34749 1
297 . 1 . 1 65 65 HIS CA C 13 52.012 0 . 1 . . . . A 65 HIS CA . 34749 1
298 . 1 . 1 65 65 HIS N N 15 120.745 0.088 . 1 . . . . A 65 HIS N . 34749 1
299 . 1 . 1 67 67 HIS HA H 1 4.569 0.001 . 1 . . . . A 67 HIS HA . 34749 1
300 . 1 . 1 67 67 HIS HB2 H 1 3.296 0.003 . 2 . . . . A 67 HIS HB2 . 34749 1
301 . 1 . 1 67 67 HIS HB3 H 1 3.051 0.001 . 2 . . . . A 67 HIS HB3 . 34749 1
302 . 1 . 1 67 67 HIS HD2 H 1 7.103 0.002 . 1 . . . . A 67 HIS HD2 . 34749 1
303 . 1 . 1 67 67 HIS HE1 H 1 7.255 0.01 . 1 . . . . A 67 HIS HE1 . 34749 1
304 . 1 . 1 67 67 HIS CA C 13 54.438 0 . 1 . . . . A 67 HIS CA . 34749 1
305 . 1 . 1 68 68 GLN H H 1 8.058 0.004 . 1 . . . . A 68 GLN H . 34749 1
306 . 1 . 1 68 68 GLN HA H 1 4.203 0.089 . 1 . . . . A 68 GLN HA . 34749 1
307 . 1 . 1 68 68 GLN HB2 H 1 2.008 0 . 2 . . . . A 68 GLN HB2 . 34749 1
308 . 1 . 1 68 68 GLN HB3 H 1 1.894 0 . 2 . . . . A 68 GLN HB3 . 34749 1
309 . 1 . 1 68 68 GLN HG2 H 1 2.244 0 . 2 . . . . A 68 GLN HG2 . 34749 1
310 . 1 . 1 68 68 GLN HG3 H 1 2.209 0 . 2 . . . . A 68 GLN HG3 . 34749 1
311 . 1 . 1 68 68 GLN CA C 13 56.117 0 . 1 . . . . A 68 GLN CA . 34749 1
312 . 1 . 1 68 68 GLN N N 15 127.643 0.111 . 1 . . . . A 68 GLN N . 34749 1
313 . 1 . 1 73 73 ALA CA C 13 50.248 0 . 1 . . . . A 73 ALA CA . 34749 1
314 . 1 . 1 74 74 HIS H H 1 7.725 0.017 . 1 . . . . A 74 HIS H . 34749 1
315 . 1 . 1 74 74 HIS HA H 1 4.374 0.002 . 1 . . . . A 74 HIS HA . 34749 1
316 . 1 . 1 74 74 HIS HB2 H 1 3.104 0 . 2 . . . . A 74 HIS HB2 . 34749 1
317 . 1 . 1 74 74 HIS HB3 H 1 2.982 0.001 . 2 . . . . A 74 HIS HB3 . 34749 1
318 . 1 . 1 74 74 HIS HD2 H 1 6.95 0 . 1 . . . . A 74 HIS HD2 . 34749 1
319 . 1 . 1 74 74 HIS HE1 H 1 7.861 0 . 1 . . . . A 74 HIS HE1 . 34749 1
320 . 1 . 1 74 74 HIS CA C 13 55.305 0 . 1 . . . . A 74 HIS CA . 34749 1
321 . 1 . 1 74 74 HIS N N 15 123.789 0.216 . 1 . . . . A 74 HIS N . 34749 1
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