Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 18345
_Assigned_chem_shift_list.ID 1
_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 $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.2
_Assigned_chem_shift_list.Chem_shift_15N_err 0.2
_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
2 '2D 1H-13C HSQC' . . . 18345 1
6 '2D 1H-1H NOESY' . . . 18345 1
7 '3D 1H-15N NOESY' . . . 18345 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 2 2 THR H H 1 8.842 0.02 . 1 . . . A 2 THR H . 18345 1
2 . 1 1 2 2 THR HA H 1 4.847 0.005 . 1 . . . A 2 THR HA . 18345 1
3 . 1 1 2 2 THR HB H 1 4.043 0.005 . 1 . . . A 2 THR HB . 18345 1
4 . 1 1 2 2 THR HG21 H 1 1.149 0.005 . 1 . . . A 2 THR HG21 . 18345 1
5 . 1 1 2 2 THR HG22 H 1 1.149 0.005 . 1 . . . A 2 THR HG22 . 18345 1
6 . 1 1 2 2 THR HG23 H 1 1.149 0.005 . 1 . . . A 2 THR HG23 . 18345 1
7 . 1 1 2 2 THR N N 15 118.7 0.2 . 1 . . . A 2 THR N . 18345 1
8 . 1 1 3 3 CYS H H 1 8.950 0.005 . 1 . . . A 3 CYS H . 18345 1
9 . 1 1 3 3 CYS HA H 1 4.965 0.005 . 1 . . . A 3 CYS HA . 18345 1
10 . 1 1 3 3 CYS HB2 H 1 3.062 0.005 . 2 . . . A 3 CYS HB2 . 18345 1
11 . 1 1 3 3 CYS HB3 H 1 2.817 0.005 . 2 . . . A 3 CYS HB3 . 18345 1
12 . 1 1 3 3 CYS CB C 13 41.7 0.2 . 1 . . . A 3 CYS CB . 18345 1
13 . 1 1 3 3 CYS N N 15 125.4 0.2 . 1 . . . A 3 CYS N . 18345 1
14 . 1 1 4 4 GLU H H 1 8.550 0.02 . 1 . . . A 4 GLU H . 18345 1
15 . 1 1 4 4 GLU HA H 1 5.570 0.005 . 1 . . . A 4 GLU HA . 18345 1
16 . 1 1 4 4 GLU HB2 H 1 1.905 0.005 . 2 . . . A 4 GLU HB2 . 18345 1
17 . 1 1 4 4 GLU HB3 H 1 1.785 0.005 . 2 . . . A 4 GLU HB3 . 18345 1
18 . 1 1 4 4 GLU HG2 H 1 2.071 0.005 . 2 . . . A 4 GLU HG2 . 18345 1
19 . 1 1 4 4 GLU HG3 H 1 2.059 0.005 . 2 . . . A 4 GLU HG3 . 18345 1
20 . 1 1 4 4 GLU CG C 13 36.1 0.2 . 1 . . . A 4 GLU CG . 18345 1
21 . 1 1 4 4 GLU N N 15 120.2 0.2 . 1 . . . A 4 GLU N . 18345 1
22 . 1 1 5 5 SER H H 1 8.748 0.005 . 1 . . . A 5 SER H . 18345 1
23 . 1 1 5 5 SER HA H 1 4.660 0.005 . 1 . . . A 5 SER HA . 18345 1
24 . 1 1 5 5 SER HB2 H 1 3.574 0.005 . 2 . . . A 5 SER HB2 . 18345 1
25 . 1 1 5 5 SER HB3 H 1 3.505 0.005 . 2 . . . A 5 SER HB3 . 18345 1
26 . 1 1 5 5 SER N N 15 116.0 0.2 . 1 . . . A 5 SER N . 18345 1
27 . 1 1 6 6 GLN H H 1 8.993 0.005 . 1 . . . A 6 GLN H . 18345 1
28 . 1 1 6 6 GLN HA H 1 3.358 0.005 . 1 . . . A 6 GLN HA . 18345 1
29 . 1 1 6 6 GLN HB2 H 1 1.579 0.005 . 2 . . . A 6 GLN HB2 . 18345 1
30 . 1 1 6 6 GLN HB3 H 1 1.514 0.005 . 2 . . . A 6 GLN HB3 . 18345 1
31 . 1 1 6 6 GLN HG2 H 1 2.200 0.005 . 2 . . . A 6 GLN HG2 . 18345 1
32 . 1 1 6 6 GLN HG3 H 1 2.200 0.005 . 2 . . . A 6 GLN HG3 . 18345 1
33 . 1 1 6 6 GLN HE21 H 1 7.349 0.005 . 2 . . . A 6 GLN HE21 . 18345 1
34 . 1 1 6 6 GLN HE22 H 1 6.848 0.005 . 2 . . . A 6 GLN HE22 . 18345 1
35 . 1 1 6 6 GLN N N 15 127.2 0.2 . 1 . . . A 6 GLN N . 18345 1
36 . 1 1 6 6 GLN NE2 N 15 110.5 0.2 . 1 . . . A 6 GLN NE2 . 18345 1
37 . 1 1 7 7 SER H H 1 8.165 0.005 . 1 . . . A 7 SER H . 18345 1
38 . 1 1 7 7 SER HA H 1 4.291 0.005 . 1 . . . A 7 SER HA . 18345 1
39 . 1 1 7 7 SER HB2 H 1 4.048 0.005 . 2 . . . A 7 SER HB2 . 18345 1
40 . 1 1 7 7 SER HB3 H 1 3.396 0.005 . 2 . . . A 7 SER HB3 . 18345 1
41 . 1 1 7 7 SER N N 15 119.4 0.2 . 1 . . . A 7 SER N . 18345 1
42 . 1 1 8 8 HIS H H 1 10.50 0.005 . 1 . . . A 8 HIS H . 18345 1
43 . 1 1 8 8 HIS HA H 1 4.808 0.005 . 1 . . . A 8 HIS HA . 18345 1
44 . 1 1 8 8 HIS HB2 H 1 3.246 0.005 . 2 . . . A 8 HIS HB2 . 18345 1
45 . 1 1 8 8 HIS HB3 H 1 3.394 0.005 . 2 . . . A 8 HIS HB3 . 18345 1
46 . 1 1 8 8 HIS CB C 13 29.1 0.2 . 1 . . . A 8 HIS CB . 18345 1
47 . 1 1 8 8 HIS N N 15 128.4 0.2 . 1 . . . A 8 HIS N . 18345 1
48 . 1 1 9 9 LYS H H 1 8.401 0.005 . 1 . . . A 9 LYS H . 18345 1
49 . 1 1 9 9 LYS HA H 1 4.284 0.005 . 1 . . . A 9 LYS HA . 18345 1
50 . 1 1 9 9 LYS HB2 H 1 1.694 0.005 . 2 . . . A 9 LYS HB2 . 18345 1
51 . 1 1 9 9 LYS HB3 H 1 1.634 0.005 . 2 . . . A 9 LYS HB3 . 18345 1
52 . 1 1 9 9 LYS HG2 H 1 1.327 0.005 . 2 . . . A 9 LYS HG2 . 18345 1
53 . 1 1 9 9 LYS HG3 H 1 1.327 0.005 . 2 . . . A 9 LYS HG3 . 18345 1
54 . 1 1 9 9 LYS HD2 H 1 1.435 0.005 . 2 . . . A 9 LYS HD2 . 18345 1
55 . 1 1 9 9 LYS HD3 H 1 1.435 0.005 . 2 . . . A 9 LYS HD3 . 18345 1
56 . 1 1 9 9 LYS N N 15 119.1 0.2 . 1 . . . A 9 LYS N . 18345 1
57 . 1 1 10 10 PHE H H 1 8.324 0.005 . 1 . . . A 10 PHE H . 18345 1
58 . 1 1 10 10 PHE HA H 1 3.964 0.005 . 1 . . . A 10 PHE HA . 18345 1
59 . 1 1 10 10 PHE HB2 H 1 3.016 0.005 . 2 . . . A 10 PHE HB2 . 18345 1
60 . 1 1 10 10 PHE HB3 H 1 2.937 0.005 . 2 . . . A 10 PHE HB3 . 18345 1
61 . 1 1 10 10 PHE HD1 H 1 7.100 0.005 . 3 . . . A 10 PHE HD1 . 18345 1
62 . 1 1 10 10 PHE HD2 H 1 7.100 0.005 . 3 . . . A 10 PHE HD2 . 18345 1
63 . 1 1 10 10 PHE HE1 H 1 7.018 0.005 . 3 . . . A 10 PHE HE1 . 18345 1
64 . 1 1 10 10 PHE HE2 H 1 7.018 0.005 . 3 . . . A 10 PHE HE2 . 18345 1
65 . 1 1 10 10 PHE HZ H 1 7.600 0.005 . 1 . . . A 10 PHE HZ . 18345 1
66 . 1 1 10 10 PHE CB C 13 39.0 0.2 . 1 . . . A 10 PHE CB . 18345 1
67 . 1 1 10 10 PHE N N 15 121.7 0.2 . 1 . . . A 10 PHE N . 18345 1
68 . 1 1 11 11 LYS H H 1 7.905 0.005 . 1 . . . A 11 LYS H . 18345 1
69 . 1 1 11 11 LYS HA H 1 4.632 0.005 . 1 . . . A 11 LYS HA . 18345 1
70 . 1 1 11 11 LYS HB2 H 1 1.673 0.005 . 2 . . . A 11 LYS HB2 . 18345 1
71 . 1 1 11 11 LYS HB3 H 1 1.569 0.005 . 2 . . . A 11 LYS HB3 . 18345 1
72 . 1 1 11 11 LYS HG2 H 1 1.318 0.005 . 2 . . . A 11 LYS HG2 . 18345 1
73 . 1 1 11 11 LYS HG3 H 1 1.318 0.005 . 2 . . . A 11 LYS HG3 . 18345 1
74 . 1 1 11 11 LYS CB C 13 35.1 0.2 . 1 . . . A 11 LYS CB . 18345 1
75 . 1 1 11 11 LYS N N 15 129.0 0.2 . 1 . . . A 11 LYS N . 18345 1
76 . 1 1 12 12 GLY H H 1 8.425 0.005 . 1 . . . A 12 GLY H . 18345 1
77 . 1 1 12 12 GLY HA2 H 1 4.214 0.005 . 2 . . . A 12 GLY HA2 . 18345 1
78 . 1 1 12 12 GLY HA3 H 1 3.884 0.005 . 2 . . . A 12 GLY HA3 . 18345 1
79 . 1 1 12 12 GLY N N 15 110.0 0.2 . 1 . . . A 12 GLY N . 18345 1
80 . 1 1 13 13 PRO HA H 1 4.530 0.005 . 1 . . . A 13 PRO HA . 18345 1
81 . 1 1 13 13 PRO HB2 H 1 2.271 0.005 . 2 . . . A 13 PRO HB2 . 18345 1
82 . 1 1 13 13 PRO HB3 H 1 1.827 0.005 . 2 . . . A 13 PRO HB3 . 18345 1
83 . 1 1 13 13 PRO HG2 H 1 2.159 0.005 . 2 . . . A 13 PRO HG2 . 18345 1
84 . 1 1 13 13 PRO HG3 H 1 2.051 0.005 . 2 . . . A 13 PRO HG3 . 18345 1
85 . 1 1 13 13 PRO HD2 H 1 3.677 0.005 . 2 . . . A 13 PRO HD2 . 18345 1
86 . 1 1 13 13 PRO HD3 H 1 3.615 0.005 . 2 . . . A 13 PRO HD3 . 18345 1
87 . 1 1 13 13 PRO CB C 13 31.9 0.2 . 1 . . . A 13 PRO CB . 18345 1
88 . 1 1 14 14 CYS H H 1 8.626 0.005 . 1 . . . A 14 CYS H . 18345 1
89 . 1 1 14 14 CYS HA H 1 4.728 0.005 . 1 . . . A 14 CYS HA . 18345 1
90 . 1 1 14 14 CYS HB2 H 1 2.878 0.005 . 2 . . . A 14 CYS HB2 . 18345 1
91 . 1 1 14 14 CYS HB3 H 1 1.821 0.005 . 2 . . . A 14 CYS HB3 . 18345 1
92 . 1 1 14 14 CYS CB C 13 33.1 0.2 . 1 . . . A 14 CYS CB . 18345 1
93 . 1 1 14 14 CYS N N 15 125.2 0.02 . 1 . . . A 14 CYS N . 18345 1
94 . 1 1 15 15 ALA H H 1 8.735 0.005 . 1 . . . A 15 ALA H . 18345 1
95 . 1 1 15 15 ALA HA H 1 4.586 0.005 . 1 . . . A 15 ALA HA . 18345 1
96 . 1 1 15 15 ALA HB1 H 1 1.450 0.005 . 1 . . . A 15 ALA HB1 . 18345 1
97 . 1 1 15 15 ALA HB2 H 1 1.450 0.005 . 1 . . . A 15 ALA HB2 . 18345 1
98 . 1 1 15 15 ALA HB3 H 1 1.450 0.005 . 1 . . . A 15 ALA HB3 . 18345 1
99 . 1 1 15 15 ALA N N 15 130.1 0.2 . 1 . . . A 15 ALA N . 18345 1
100 . 1 1 16 16 SER H H 1 7.673 0.005 . 1 . . . A 16 SER H . 18345 1
101 . 1 1 16 16 SER HA H 1 4.812 0.005 . 1 . . . A 16 SER HA . 18345 1
102 . 1 1 16 16 SER HB2 H 1 4.023 0.005 . 2 . . . A 16 SER HB2 . 18345 1
103 . 1 1 16 16 SER HB3 H 1 3.901 0.005 . 2 . . . A 16 SER HB3 . 18345 1
104 . 1 1 16 16 SER N N 15 112.4 0.2 . 1 . . . A 16 SER N . 18345 1
105 . 1 1 17 17 ASP H H 1 9.211 0.005 . 1 . . . A 17 ASP H . 18345 1
106 . 1 1 17 17 ASP HA H 1 4.340 0.005 . 1 . . . A 17 ASP HA . 18345 1
107 . 1 1 17 17 ASP HB2 H 1 2.902 0.005 . 2 . . . A 17 ASP HB2 . 18345 1
108 . 1 1 17 17 ASP HB3 H 1 2.685 0.005 . 2 . . . A 17 ASP HB3 . 18345 1
109 . 1 1 17 17 ASP CB C 13 40.2 0.2 . 1 . . . A 17 ASP CB . 18345 1
110 . 1 1 17 17 ASP N N 15 130.8 0.2 . 1 . . . A 17 ASP N . 18345 1
111 . 1 1 18 18 HIS H H 1 8.714 0.005 . 1 . . . A 18 HIS H . 18345 1
112 . 1 1 18 18 HIS HA H 1 4.431 0.005 . 1 . . . A 18 HIS HA . 18345 1
113 . 1 1 18 18 HIS HB2 H 1 3.351 0.005 . 2 . . . A 18 HIS HB2 . 18345 1
114 . 1 1 18 18 HIS HB3 H 1 3.142 0.005 . 2 . . . A 18 HIS HB3 . 18345 1
115 . 1 1 18 18 HIS CB C 13 28.1 0.2 . 1 . . . A 18 HIS CB . 18345 1
116 . 1 1 18 18 HIS N N 15 117.1 0.2 . 1 . . . A 18 HIS N . 18345 1
117 . 1 1 19 19 ASN H H 1 8.001 0.005 . 1 . . . A 19 ASN H . 18345 1
118 . 1 1 19 19 ASN HA H 1 4.590 0.005 . 1 . . . A 19 ASN HA . 18345 1
119 . 1 1 19 19 ASN HB2 H 1 3.178 0.005 . 2 . . . A 19 ASN HB2 . 18345 1
120 . 1 1 19 19 ASN HB3 H 1 3.096 0.005 . 2 . . . A 19 ASN HB3 . 18345 1
121 . 1 1 19 19 ASN HD21 H 1 7.741 0.005 . 2 . . . A 19 ASN HD21 . 18345 1
122 . 1 1 19 19 ASN HD22 H 1 7.193 0.005 . 2 . . . A 19 ASN HD22 . 18345 1
123 . 1 1 19 19 ASN CB C 13 38.2 0.2 . 1 . . . A 19 ASN CB . 18345 1
124 . 1 1 19 19 ASN N N 15 119.3 0.2 . 1 . . . A 19 ASN N . 18345 1
125 . 1 1 19 19 ASN ND2 N 15 111.1 0.2 . 1 . . . A 19 ASN ND2 . 18345 1
126 . 1 1 20 20 CYS H H 1 7.646 0.005 . 1 . . . A 20 CYS H . 18345 1
127 . 1 1 20 20 CYS HA H 1 4.511 0.005 . 1 . . . A 20 CYS HA . 18345 1
128 . 1 1 20 20 CYS HB2 H 1 2.869 0.005 . 2 . . . A 20 CYS HB2 . 18345 1
129 . 1 1 20 20 CYS HB3 H 1 2.495 0.005 . 2 . . . A 20 CYS HB3 . 18345 1
130 . 1 1 20 20 CYS CB C 13 35.4 0.2 . 1 . . . A 20 CYS CB . 18345 1
131 . 1 1 20 20 CYS N N 15 117.5 0.2 . 1 . . . A 20 CYS N . 18345 1
132 . 1 1 21 21 ALA H H 1 8.851 0.005 . 1 . . . A 21 ALA H . 18345 1
133 . 1 1 21 21 ALA HA H 1 3.577 0.005 . 1 . . . A 21 ALA HA . 18345 1
134 . 1 1 21 21 ALA HB1 H 1 1.587 0.005 . 1 . . . A 21 ALA HB1 . 18345 1
135 . 1 1 21 21 ALA HB2 H 1 1.587 0.005 . 1 . . . A 21 ALA HB2 . 18345 1
136 . 1 1 21 21 ALA HB3 H 1 1.587 0.005 . 1 . . . A 21 ALA HB3 . 18345 1
137 . 1 1 21 21 ALA N N 15 121.7 0.2 . 1 . . . A 21 ALA N . 18345 1
138 . 1 1 22 22 SER H H 1 8.040 0.005 . 1 . . . A 22 SER H . 18345 1
139 . 1 1 22 22 SER HA H 1 4.212 0.005 . 1 . . . A 22 SER HA . 18345 1
140 . 1 1 22 22 SER HB2 H 1 3.999 0.005 . 2 . . . A 22 SER HB2 . 18345 1
141 . 1 1 22 22 SER HB3 H 1 3.975 0.005 . 2 . . . A 22 SER HB3 . 18345 1
142 . 1 1 22 22 SER N N 15 112.2 0.2 . 1 . . . A 22 SER N . 18345 1
143 . 1 1 23 23 VAL H H 1 7.940 0.005 . 1 . . . A 23 VAL H . 18345 1
144 . 1 1 23 23 VAL HA H 1 3.842 0.005 . 1 . . . A 23 VAL HA . 18345 1
145 . 1 1 23 23 VAL HB H 1 2.446 0.005 . 1 . . . A 23 VAL HB . 18345 1
146 . 1 1 23 23 VAL HG11 H 1 1.225 0.005 . 2 . . . A 23 VAL HG11 . 18345 1
147 . 1 1 23 23 VAL HG12 H 1 1.225 0.005 . 2 . . . A 23 VAL HG12 . 18345 1
148 . 1 1 23 23 VAL HG13 H 1 1.225 0.005 . 2 . . . A 23 VAL HG13 . 18345 1
149 . 1 1 23 23 VAL HG21 H 1 1.052 0.005 . 2 . . . A 23 VAL HG21 . 18345 1
150 . 1 1 23 23 VAL HG22 H 1 1.052 0.005 . 2 . . . A 23 VAL HG22 . 18345 1
151 . 1 1 23 23 VAL HG23 H 1 1.052 0.005 . 2 . . . A 23 VAL HG23 . 18345 1
152 . 1 1 23 23 VAL CB C 13 32.0 0.2 . 1 . . . A 23 VAL CB . 18345 1
153 . 1 1 23 23 VAL N N 15 123.4 0.2 . 1 . . . A 23 VAL N . 18345 1
154 . 1 1 24 24 CYS H H 1 9.188 0.005 . 1 . . . A 24 CYS H . 18345 1
155 . 1 1 24 24 CYS HA H 1 4.714 0.005 . 1 . . . A 24 CYS HA . 18345 1
156 . 1 1 24 24 CYS HB2 H 1 2.910 0.005 . 2 . . . A 24 CYS HB2 . 18345 1
157 . 1 1 24 24 CYS HB3 H 1 2.746 0.005 . 2 . . . A 24 CYS HB3 . 18345 1
158 . 1 1 24 24 CYS CB C 13 38.4 0.2 . 1 . . . A 24 CYS CB . 18345 1
159 . 1 1 24 24 CYS N N 15 121.4 0.2 . 1 . . . A 24 CYS N . 18345 1
160 . 1 1 25 25 GLN H H 1 8.414 0.005 . 1 . . . A 25 GLN H . 18345 1
161 . 1 1 25 25 GLN HB2 H 1 2.600 0.005 . 2 . . . A 25 GLN HB2 . 18345 1
162 . 1 1 25 25 GLN HB3 H 1 2.600 0.005 . 2 . . . A 25 GLN HB3 . 18345 1
163 . 1 1 25 25 GLN HG2 H 1 2.448 0.005 . 2 . . . A 25 GLN HG2 . 18345 1
164 . 1 1 25 25 GLN HG3 H 1 2.196 0.005 . 2 . . . A 25 GLN HG3 . 18345 1
165 . 1 1 25 25 GLN HE21 H 1 7.164 0.005 . 2 . . . A 25 GLN HE21 . 18345 1
166 . 1 1 25 25 GLN HE22 H 1 6.824 0.005 . 2 . . . A 25 GLN HE22 . 18345 1
167 . 1 1 25 25 GLN CB C 13 31.1 0.2 . 1 . . . A 25 GLN CB . 18345 1
168 . 1 1 25 25 GLN CG C 13 38.5 0.2 . 1 . . . A 25 GLN CG . 18345 1
169 . 1 1 25 25 GLN N N 15 120.5 0.2 . 1 . . . A 25 GLN N . 18345 1
170 . 1 1 25 25 GLN NE2 N 15 108.9 0.2 . 1 . . . A 25 GLN NE2 . 18345 1
171 . 1 1 26 26 THR H H 1 8.084 0.005 . 1 . . . A 26 THR H . 18345 1
172 . 1 1 26 26 THR HA H 1 4.527 0.005 . 1 . . . A 26 THR HA . 18345 1
173 . 1 1 26 26 THR HB H 1 4.527 0.005 . 1 . . . A 26 THR HB . 18345 1
174 . 1 1 26 26 THR HG21 H 1 1.492 0.005 . 1 . . . A 26 THR HG21 . 18345 1
175 . 1 1 26 26 THR HG22 H 1 1.492 0.005 . 1 . . . A 26 THR HG22 . 18345 1
176 . 1 1 26 26 THR HG23 H 1 1.492 0.005 . 1 . . . A 26 THR HG23 . 18345 1
177 . 1 1 26 26 THR N N 15 114.5 0.2 . 1 . . . A 26 THR N . 18345 1
178 . 1 1 27 27 GLU H H 1 7.705 0.005 . 1 . . . A 27 GLU H . 18345 1
179 . 1 1 27 27 GLU HA H 1 4.441 0.005 . 1 . . . A 27 GLU HA . 18345 1
180 . 1 1 27 27 GLU HB2 H 1 2.623 0.005 . 2 . . . A 27 GLU HB2 . 18345 1
181 . 1 1 27 27 GLU HB3 H 1 2.217 0.005 . 2 . . . A 27 GLU HB3 . 18345 1
182 . 1 1 27 27 GLU HG2 H 1 2.623 0.005 . 2 . . . A 27 GLU HG2 . 18345 1
183 . 1 1 27 27 GLU HG3 H 1 2.524 0.005 . 2 . . . A 27 GLU HG3 . 18345 1
184 . 1 1 27 27 GLU N N 15 122.1 0.2 . 1 . . . A 27 GLU N . 18345 1
185 . 1 1 28 28 ARG H H 1 7.817 0.005 . 1 . . . A 28 ARG H . 18345 1
186 . 1 1 28 28 ARG HA H 1 3.923 0.005 . 1 . . . A 28 ARG HA . 18345 1
187 . 1 1 28 28 ARG HB2 H 1 2.089 0.005 . 2 . . . A 28 ARG HB2 . 18345 1
188 . 1 1 28 28 ARG HB3 H 1 1.979 0.005 . 2 . . . A 28 ARG HB3 . 18345 1
189 . 1 1 28 28 ARG HG2 H 1 1.518 0.005 . 2 . . . A 28 ARG HG2 . 18345 1
190 . 1 1 28 28 ARG HG3 H 1 1.518 0.005 . 2 . . . A 28 ARG HG3 . 18345 1
191 . 1 1 28 28 ARG HD2 H 1 3.183 0.005 . 2 . . . A 28 ARG HD2 . 18345 1
192 . 1 1 28 28 ARG HD3 H 1 3.183 0.005 . 2 . . . A 28 ARG HD3 . 18345 1
193 . 1 1 28 28 ARG N N 15 109.5 0.2 . 1 . . . A 28 ARG N . 18345 1
194 . 1 1 29 29 PHE H H 1 7.945 0.005 . 1 . . . A 29 PHE H . 18345 1
195 . 1 1 29 29 PHE HA H 1 4.986 0.005 . 1 . . . A 29 PHE HA . 18345 1
196 . 1 1 29 29 PHE HB2 H 1 3.806 0.005 . 2 . . . A 29 PHE HB2 . 18345 1
197 . 1 1 29 29 PHE HB3 H 1 2.725 0.005 . 2 . . . A 29 PHE HB3 . 18345 1
198 . 1 1 29 29 PHE HD1 H 1 7.335 0.005 . 3 . . . A 29 PHE HD1 . 18345 1
199 . 1 1 29 29 PHE HD2 H 1 7.335 0.005 . 3 . . . A 29 PHE HD2 . 18345 1
200 . 1 1 29 29 PHE N N 15 117.7 0.2 . 1 . . . A 29 PHE N . 18345 1
201 . 1 1 30 30 SER H H 1 8.660 0.005 . 1 . . . A 30 SER H . 18345 1
202 . 1 1 30 30 SER HA H 1 4.590 0.005 . 1 . . . A 30 SER HA . 18345 1
203 . 1 1 30 30 SER HB2 H 1 4.063 0.005 . 2 . . . A 30 SER HB2 . 18345 1
204 . 1 1 30 30 SER HB3 H 1 3.985 0.005 . 2 . . . A 30 SER HB3 . 18345 1
205 . 1 1 30 30 SER N N 15 113.1 0.2 . 1 . . . A 30 SER N . 18345 1
206 . 1 1 31 31 GLY H H 1 7.746 0.005 . 1 . . . A 31 GLY H . 18345 1
207 . 1 1 31 31 GLY HA2 H 1 4.210 0.005 . 2 . . . A 31 GLY HA2 . 18345 1
208 . 1 1 31 31 GLY HA3 H 1 4.020 0.005 . 2 . . . A 31 GLY HA3 . 18345 1
209 . 1 1 31 31 GLY N N 15 107.5 0.2 . 1 . . . A 31 GLY N . 18345 1
210 . 1 1 32 32 GLY H H 1 7.985 0.005 . 1 . . . A 32 GLY H . 18345 1
211 . 1 1 32 32 GLY HA2 H 1 4.672 0.005 . 2 . . . A 32 GLY HA2 . 18345 1
212 . 1 1 32 32 GLY HA3 H 1 4.345 0.005 . 2 . . . A 32 GLY HA3 . 18345 1
213 . 1 1 32 32 GLY N N 15 107.3 0.02 . 1 . . . A 32 GLY N . 18345 1
214 . 1 1 33 33 ARG H H 1 8.935 0.005 . 1 . . . A 33 ARG H . 18345 1
215 . 1 1 33 33 ARG HA H 1 4.413 0.005 . 1 . . . A 33 ARG HA . 18345 1
216 . 1 1 33 33 ARG HB2 H 1 1.887 0.005 . 2 . . . A 33 ARG HB2 . 18345 1
217 . 1 1 33 33 ARG HB3 H 1 1.722 0.005 . 2 . . . A 33 ARG HB3 . 18345 1
218 . 1 1 33 33 ARG HG2 H 1 1.551 0.005 . 2 . . . A 33 ARG HG2 . 18345 1
219 . 1 1 33 33 ARG HG3 H 1 1.342 0.005 . 2 . . . A 33 ARG HG3 . 18345 1
220 . 1 1 33 33 ARG HD2 H 1 3.051 0.005 . 2 . . . A 33 ARG HD2 . 18345 1
221 . 1 1 33 33 ARG HD3 H 1 3.051 0.005 . 2 . . . A 33 ARG HD3 . 18345 1
222 . 1 1 33 33 ARG CB C 13 32.8 0.2 . 1 . . . A 33 ARG CB . 18345 1
223 . 1 1 33 33 ARG N N 15 115.4 0.2 . 1 . . . A 33 ARG N . 18345 1
224 . 1 1 34 34 CYS H H 1 8.831 0.005 . 1 . . . A 34 CYS H . 18345 1
225 . 1 1 34 34 CYS HA H 1 5.435 0.005 . 1 . . . A 34 CYS HA . 18345 1
226 . 1 1 34 34 CYS HB2 H 1 2.750 0.005 . 2 . . . A 34 CYS HB2 . 18345 1
227 . 1 1 34 34 CYS HB3 H 1 2.750 0.005 . 2 . . . A 34 CYS HB3 . 18345 1
228 . 1 1 34 34 CYS CB C 13 36.7 0.2 . 1 . . . A 34 CYS CB . 18345 1
229 . 1 1 34 34 CYS N N 15 120.2 0.2 . 1 . . . A 34 CYS N . 18345 1
230 . 1 1 35 35 ARG H H 1 9.507 0.005 . 1 . . . A 35 ARG H . 18345 1
231 . 1 1 35 35 ARG HA H 1 4.690 0.005 . 1 . . . A 35 ARG HA . 18345 1
232 . 1 1 35 35 ARG HB2 H 1 1.698 0.005 . 2 . . . A 35 ARG HB2 . 18345 1
233 . 1 1 35 35 ARG HB3 H 1 1.548 0.005 . 2 . . . A 35 ARG HB3 . 18345 1
234 . 1 1 35 35 ARG HG2 H 1 1.428 0.005 . 2 . . . A 35 ARG HG2 . 18345 1
235 . 1 1 35 35 ARG HG3 H 1 1.346 0.005 . 2 . . . A 35 ARG HG3 . 18345 1
236 . 1 1 35 35 ARG HD2 H 1 2.686 0.005 . 2 . . . A 35 ARG HD2 . 18345 1
237 . 1 1 35 35 ARG HD3 H 1 2.658 0.005 . 2 . . . A 35 ARG HD3 . 18345 1
238 . 1 1 35 35 ARG N N 15 121.7 0.2 . 1 . . . A 35 ARG N . 18345 1
239 . 1 1 36 36 GLY H H 1 8.466 0.005 . 1 . . . A 36 GLY H . 18345 1
240 . 1 1 36 36 GLY HA2 H 1 4.481 0.005 . 2 . . . A 36 GLY HA2 . 18345 1
241 . 1 1 36 36 GLY HA3 H 1 3.826 0.005 . 2 . . . A 36 GLY HA3 . 18345 1
242 . 1 1 36 36 GLY N N 15 109.2 0.2 . 1 . . . A 36 GLY N . 18345 1
243 . 1 1 37 37 PHE H H 1 8.530 0.005 . 1 . . . A 37 PHE H . 18345 1
244 . 1 1 37 37 PHE HA H 1 4.421 0.005 . 1 . . . A 37 PHE HA . 18345 1
245 . 1 1 37 37 PHE HB2 H 1 3.266 0.005 . 2 . . . A 37 PHE HB2 . 18345 1
246 . 1 1 37 37 PHE HB3 H 1 3.061 0.005 . 2 . . . A 37 PHE HB3 . 18345 1
247 . 1 1 37 37 PHE HD1 H 1 7.300 0.005 . 3 . . . A 37 PHE HD1 . 18345 1
248 . 1 1 37 37 PHE HD2 H 1 7.300 0.005 . 3 . . . A 37 PHE HD2 . 18345 1
249 . 1 1 37 37 PHE CB C 13 38.6 0.2 . 1 . . . A 37 PHE CB . 18345 1
250 . 1 1 37 37 PHE N N 15 121.7 0.2 . 1 . . . A 37 PHE N . 18345 1
251 . 1 1 38 38 ARG H H 1 8.023 0.005 . 1 . . . A 38 ARG H . 18345 1
252 . 1 1 38 38 ARG HA H 1 3.795 0.005 . 1 . . . A 38 ARG HA . 18345 1
253 . 1 1 38 38 ARG HB2 H 1 2.090 0.005 . 2 . . . A 38 ARG HB2 . 18345 1
254 . 1 1 38 38 ARG HB3 H 1 1.802 0.005 . 2 . . . A 38 ARG HB3 . 18345 1
255 . 1 1 38 38 ARG HG2 H 1 1.669 0.005 . 2 . . . A 38 ARG HG2 . 18345 1
256 . 1 1 38 38 ARG HG3 H 1 1.615 0.005 . 2 . . . A 38 ARG HG3 . 18345 1
257 . 1 1 38 38 ARG HD2 H 1 3.185 0.005 . 2 . . . A 38 ARG HD2 . 18345 1
258 . 1 1 38 38 ARG HD3 H 1 3.185 0.005 . 2 . . . A 38 ARG HD3 . 18345 1
259 . 1 1 38 38 ARG N N 15 118.5 0.2 . 1 . . . A 38 ARG N . 18345 1
260 . 1 1 39 39 ARG H H 1 8.222 0.005 . 1 . . . A 39 ARG H . 18345 1
261 . 1 1 39 39 ARG HA H 1 4.162 0.005 . 1 . . . A 39 ARG HA . 18345 1
262 . 1 1 39 39 ARG HB2 H 1 1.971 0.005 . 2 . . . A 39 ARG HB2 . 18345 1
263 . 1 1 39 39 ARG HB3 H 1 1.971 0.005 . 2 . . . A 39 ARG HB3 . 18345 1
264 . 1 1 39 39 ARG HG2 H 1 1.711 0.005 . 2 . . . A 39 ARG HG2 . 18345 1
265 . 1 1 39 39 ARG HG3 H 1 1.711 0.005 . 2 . . . A 39 ARG HG3 . 18345 1
266 . 1 1 39 39 ARG HD2 H 1 3.246 0.005 . 2 . . . A 39 ARG HD2 . 18345 1
267 . 1 1 39 39 ARG HD3 H 1 3.246 0.005 . 2 . . . A 39 ARG HD3 . 18345 1
268 . 1 1 39 39 ARG N N 15 117.5 0.2 . 1 . . . A 39 ARG N . 18345 1
269 . 1 1 40 40 ARG H H 1 8.292 0.005 . 1 . . . A 40 ARG H . 18345 1
270 . 1 1 40 40 ARG HA H 1 4.592 0.005 . 1 . . . A 40 ARG HA . 18345 1
271 . 1 1 40 40 ARG HB2 H 1 1.802 0.005 . 2 . . . A 40 ARG HB2 . 18345 1
272 . 1 1 40 40 ARG HB3 H 1 1.802 0.005 . 2 . . . A 40 ARG HB3 . 18345 1
273 . 1 1 40 40 ARG HG2 H 1 1.613 0.005 . 2 . . . A 40 ARG HG2 . 18345 1
274 . 1 1 40 40 ARG HG3 H 1 1.613 0.005 . 2 . . . A 40 ARG HG3 . 18345 1
275 . 1 1 40 40 ARG HD2 H 1 3.172 0.005 . 2 . . . A 40 ARG HD2 . 18345 1
276 . 1 1 40 40 ARG HD3 H 1 3.172 0.005 . 2 . . . A 40 ARG HD3 . 18345 1
277 . 1 1 40 40 ARG N N 15 122.5 0.2 . 1 . . . A 40 ARG N . 18345 1
278 . 1 1 41 41 CYS H H 1 9.320 0.005 . 1 . . . A 41 CYS H . 18345 1
279 . 1 1 41 41 CYS HA H 1 4.717 0.005 . 1 . . . A 41 CYS HA . 18345 1
280 . 1 1 41 41 CYS HB2 H 1 1.943 0.005 . 2 . . . A 41 CYS HB2 . 18345 1
281 . 1 1 41 41 CYS HB3 H 1 1.446 0.005 . 2 . . . A 41 CYS HB3 . 18345 1
282 . 1 1 41 41 CYS CB C 13 35.2 0.2 . 1 . . . A 41 CYS CB . 18345 1
283 . 1 1 41 41 CYS N N 15 120.1 0.2 . 1 . . . A 41 CYS N . 18345 1
284 . 1 1 42 42 PHE H H 1 8.910 0.005 . 1 . . . A 42 PHE H . 18345 1
285 . 1 1 42 42 PHE HA H 1 4.485 0.005 . 1 . . . A 42 PHE HA . 18345 1
286 . 1 1 42 42 PHE HB2 H 1 2.861 0.005 . 2 . . . A 42 PHE HB2 . 18345 1
287 . 1 1 42 42 PHE HB3 H 1 2.515 0.005 . 2 . . . A 42 PHE HB3 . 18345 1
288 . 1 1 42 42 PHE HD1 H 1 6.895 0.005 . 3 . . . A 42 PHE HD1 . 18345 1
289 . 1 1 42 42 PHE HD2 H 1 6.895 0.005 . 3 . . . A 42 PHE HD2 . 18345 1
290 . 1 1 42 42 PHE HE1 H 1 7.258 0.005 . 3 . . . A 42 PHE HE1 . 18345 1
291 . 1 1 42 42 PHE HE2 H 1 7.258 0.005 . 3 . . . A 42 PHE HE2 . 18345 1
292 . 1 1 42 42 PHE CB C 13 41.5 0.2 . 1 . . . A 42 PHE CB . 18345 1
293 . 1 1 42 42 PHE N N 15 130.0 0.2 . 1 . . . A 42 PHE N . 18345 1
294 . 1 1 43 43 CYS H H 1 8.819 0.005 . 1 . . . A 43 CYS H . 18345 1
295 . 1 1 43 43 CYS HA H 1 5.392 0.005 . 1 . . . A 43 CYS HA . 18345 1
296 . 1 1 43 43 CYS HB2 H 1 2.552 0.005 . 2 . . . A 43 CYS HB2 . 18345 1
297 . 1 1 43 43 CYS HB3 H 1 1.387 0.005 . 2 . . . A 43 CYS HB3 . 18345 1
298 . 1 1 43 43 CYS CB C 13 36.2 0.2 . 1 . . . A 43 CYS CB . 18345 1
299 . 1 1 43 43 CYS N N 15 120.9 0.2 . 1 . . . A 43 CYS N . 18345 1
300 . 1 1 44 44 THR H H 1 8.420 0.005 . 1 . . . A 44 THR H . 18345 1
301 . 1 1 44 44 THR HA H 1 5.029 0.005 . 1 . . . A 44 THR HA . 18345 1
302 . 1 1 44 44 THR HB H 1 3.930 0.005 . 1 . . . A 44 THR HB . 18345 1
303 . 1 1 44 44 THR HG21 H 1 1.077 0.005 . 1 . . . A 44 THR HG21 . 18345 1
304 . 1 1 44 44 THR HG22 H 1 1.077 0.005 . 1 . . . A 44 THR HG22 . 18345 1
305 . 1 1 44 44 THR HG23 H 1 1.077 0.005 . 1 . . . A 44 THR HG23 . 18345 1
306 . 1 1 44 44 THR N N 15 115.2 0.2 . 1 . . . A 44 THR N . 18345 1
307 . 1 1 45 45 THR H H 1 8.538 0.005 . 1 . . . A 45 THR H . 18345 1
308 . 1 1 45 45 THR HA H 1 4.849 0.005 . 1 . . . A 45 THR HA . 18345 1
309 . 1 1 45 45 THR HB H 1 4.330 0.005 . 1 . . . A 45 THR HB . 18345 1
310 . 1 1 45 45 THR HG21 H 1 1.073 0.005 . 1 . . . A 45 THR HG21 . 18345 1
311 . 1 1 45 45 THR HG22 H 1 1.073 0.005 . 1 . . . A 45 THR HG22 . 18345 1
312 . 1 1 45 45 THR HG23 H 1 1.073 0.005 . 1 . . . A 45 THR HG23 . 18345 1
313 . 1 1 45 45 THR N N 15 116.9 0.2 . 1 . . . A 45 THR N . 18345 1
314 . 1 1 46 46 HIS H H 1 8.548 0.005 . 1 . . . A 46 HIS H . 18345 1
315 . 1 1 46 46 HIS HA H 1 5.071 0.005 . 1 . . . A 46 HIS HA . 18345 1
316 . 1 1 46 46 HIS HB2 H 1 3.351 0.005 . 2 . . . A 46 HIS HB2 . 18345 1
317 . 1 1 46 46 HIS HB3 H 1 3.351 0.005 . 2 . . . A 46 HIS HB3 . 18345 1
318 . 1 1 46 46 HIS CB C 13 28.7 0.2 . 1 . . . A 46 HIS CB . 18345 1
319 . 1 1 46 46 HIS N N 15 121.8 0.2 . 1 . . . A 46 HIS N . 18345 1
320 . 1 1 47 47 CYS H H 1 8.465 0.005 . 1 . . . A 47 CYS H . 18345 1
321 . 1 1 47 47 CYS HA H 1 4.551 0.005 . 1 . . . A 47 CYS HA . 18345 1
322 . 1 1 47 47 CYS HB2 H 1 3.202 0.005 . 2 . . . A 47 CYS HB2 . 18345 1
323 . 1 1 47 47 CYS HB3 H 1 3.202 0.005 . 2 . . . A 47 CYS HB3 . 18345 1
324 . 1 1 47 47 CYS N N 15 127.0 0.2 . 1 . . . A 47 CYS N . 18345 1
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