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 30420
_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 '1D 1H' . . . 30420 1
2 '2D 1H-1H TOCSY' . . . 30420 1
3 '2D DQF-COSY' . . . 30420 1
4 '2D 1H-1H NOESY' . . . 30420 1
5 '2D 1H-15N HSQC' . . . 30420 1
6 '2D 1H-13C HSQC' . . . 30420 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 ALA HA H 1 4.067 0.000 . 1 . . . . A 1 ALA HA . 30420 1
2 . 1 . 1 1 1 ALA HB1 H 1 1.468 0.000 . 1 . . . . A 1 ALA HB1 . 30420 1
3 . 1 . 1 1 1 ALA HB2 H 1 1.468 0.000 . 1 . . . . A 1 ALA HB2 . 30420 1
4 . 1 . 1 1 1 ALA HB3 H 1 1.468 0.000 . 1 . . . . A 1 ALA HB3 . 30420 1
5 . 1 . 1 2 2 CYS H H 1 8.838 0.001 . 1 . . . . A 2 CYS H . 30420 1
6 . 1 . 1 2 2 CYS HA H 1 4.701 0.000 . 1 . . . . A 2 CYS HA . 30420 1
7 . 1 . 1 2 2 CYS HB2 H 1 2.991 0.001 . 1 . . . . A 2 CYS HB2 . 30420 1
8 . 1 . 1 2 2 CYS HB3 H 1 2.991 0.001 . 1 . . . . A 2 CYS HB3 . 30420 1
9 . 1 . 1 2 2 CYS N N 15 121.512 0.000 . 1 . . . . A 2 CYS N . 30420 1
10 . 1 . 1 3 3 LYS H H 1 8.339 0.002 . 1 . . . . A 3 LYS H . 30420 1
11 . 1 . 1 3 3 LYS HA H 1 4.615 0.000 . 1 . . . . A 3 LYS HA . 30420 1
12 . 1 . 1 3 3 LYS HB2 H 1 1.794 0.000 . 1 . . . . A 3 LYS HB2 . 30420 1
13 . 1 . 1 3 3 LYS HB3 H 1 1.794 0.000 . 1 . . . . A 3 LYS HB3 . 30420 1
14 . 1 . 1 3 3 LYS HG2 H 1 1.397 0.000 . 2 . . . . A 3 LYS HG2 . 30420 1
15 . 1 . 1 3 3 LYS HG3 H 1 1.189 0.000 . 2 . . . . A 3 LYS HG3 . 30420 1
16 . 1 . 1 3 3 LYS HD2 H 1 1.673 0.000 . 1 . . . . A 3 LYS HD2 . 30420 1
17 . 1 . 1 3 3 LYS HD3 H 1 1.673 0.000 . 1 . . . . A 3 LYS HD3 . 30420 1
18 . 1 . 1 3 3 LYS HE2 H 1 2.950 0.000 . 1 . . . . A 3 LYS HE2 . 30420 1
19 . 1 . 1 3 3 LYS HE3 H 1 2.950 0.000 . 1 . . . . A 3 LYS HE3 . 30420 1
20 . 1 . 1 3 3 LYS N N 15 124.124 0.000 . 1 . . . . A 3 LYS N . 30420 1
21 . 1 . 1 4 4 ASP H H 1 8.848 0.001 . 1 . . . . A 4 ASP H . 30420 1
22 . 1 . 1 4 4 ASP HA H 1 4.777 0.001 . 1 . . . . A 4 ASP HA . 30420 1
23 . 1 . 1 4 4 ASP HB2 H 1 2.720 0.000 . 1 . . . . A 4 ASP HB2 . 30420 1
24 . 1 . 1 4 4 ASP HB3 H 1 3.108 0.000 . 1 . . . . A 4 ASP HB3 . 30420 1
25 . 1 . 1 4 4 ASP N N 15 123.376 0.000 . 1 . . . . A 4 ASP N . 30420 1
26 . 1 . 1 5 5 VAL H H 1 8.246 0.001 . 1 . . . . A 5 VAL H . 30420 1
27 . 1 . 1 5 5 VAL HA H 1 3.958 0.000 . 1 . . . . A 5 VAL HA . 30420 1
28 . 1 . 1 5 5 VAL HB H 1 2.055 0.001 . 1 . . . . A 5 VAL HB . 30420 1
29 . 1 . 1 5 5 VAL HG11 H 1 1.057 0.001 . 2 . . . . A 5 VAL HG11 . 30420 1
30 . 1 . 1 5 5 VAL HG12 H 1 1.057 0.001 . 2 . . . . A 5 VAL HG12 . 30420 1
31 . 1 . 1 5 5 VAL HG13 H 1 1.057 0.001 . 2 . . . . A 5 VAL HG13 . 30420 1
32 . 1 . 1 5 5 VAL HG21 H 1 0.999 0.001 . 2 . . . . A 5 VAL HG21 . 30420 1
33 . 1 . 1 5 5 VAL HG22 H 1 0.999 0.001 . 2 . . . . A 5 VAL HG22 . 30420 1
34 . 1 . 1 5 5 VAL HG23 H 1 0.999 0.001 . 2 . . . . A 5 VAL HG23 . 30420 1
35 . 1 . 1 5 5 VAL N N 15 126.118 0.000 . 1 . . . . A 5 VAL N . 30420 1
36 . 1 . 1 6 6 PHE H H 1 8.077 0.001 . 1 . . . . A 6 PHE H . 30420 1
37 . 1 . 1 6 6 PHE HA H 1 5.229 0.002 . 1 . . . . A 6 PHE HA . 30420 1
38 . 1 . 1 6 6 PHE HB2 H 1 3.283 0.002 . 1 . . . . A 6 PHE HB2 . 30420 1
39 . 1 . 1 6 6 PHE HB3 H 1 3.166 0.002 . 1 . . . . A 6 PHE HB3 . 30420 1
40 . 1 . 1 6 6 PHE HD1 H 1 7.238 0.001 . 1 . . . . A 6 PHE HD1 . 30420 1
41 . 1 . 1 6 6 PHE HD2 H 1 7.238 0.001 . 1 . . . . A 6 PHE HD2 . 30420 1
42 . 1 . 1 6 6 PHE HE1 H 1 7.063 0.001 . 1 . . . . A 6 PHE HE1 . 30420 1
43 . 1 . 1 6 6 PHE HE2 H 1 7.063 0.001 . 1 . . . . A 6 PHE HE2 . 30420 1
44 . 1 . 1 6 6 PHE N N 15 119.327 0.000 . 1 . . . . A 6 PHE N . 30420 1
45 . 1 . 1 7 7 PRO HA H 1 4.520 0.001 . 1 . . . . A 7 PRO HA . 30420 1
46 . 1 . 1 7 7 PRO HB2 H 1 2.564 0.001 . 2 . . . . A 7 PRO HB2 . 30420 1
47 . 1 . 1 7 7 PRO HB3 H 1 1.979 0.001 . 2 . . . . A 7 PRO HB3 . 30420 1
48 . 1 . 1 7 7 PRO HG2 H 1 2.135 0.001 . 1 . . . . A 7 PRO HG2 . 30420 1
49 . 1 . 1 7 7 PRO HG3 H 1 2.135 0.001 . 1 . . . . A 7 PRO HG3 . 30420 1
50 . 1 . 1 7 7 PRO HD2 H 1 4.033 0.001 . 2 . . . . A 7 PRO HD2 . 30420 1
51 . 1 . 1 7 7 PRO HD3 H 1 3.493 0.002 . 2 . . . . A 7 PRO HD3 . 30420 1
52 . 1 . 1 8 8 ALA H H 1 8.717 0.000 . 1 . . . . A 8 ALA H . 30420 1
53 . 1 . 1 8 8 ALA HA H 1 4.236 0.001 . 1 . . . . A 8 ALA HA . 30420 1
54 . 1 . 1 8 8 ALA HB1 H 1 1.482 0.001 . 1 . . . . A 8 ALA HB1 . 30420 1
55 . 1 . 1 8 8 ALA HB2 H 1 1.482 0.001 . 1 . . . . A 8 ALA HB2 . 30420 1
56 . 1 . 1 8 8 ALA HB3 H 1 1.482 0.001 . 1 . . . . A 8 ALA HB3 . 30420 1
57 . 1 . 1 8 8 ALA N N 15 126.807 0.000 . 1 . . . . A 8 ALA N . 30420 1
58 . 1 . 1 9 9 ALA H H 1 9.170 0.001 . 1 . . . . A 9 ALA H . 30420 1
59 . 1 . 1 9 9 ALA HA H 1 4.078 0.000 . 1 . . . . A 9 ALA HA . 30420 1
60 . 1 . 1 9 9 ALA HB1 H 1 1.463 0.001 . 1 . . . . A 9 ALA HB1 . 30420 1
61 . 1 . 1 9 9 ALA HB2 H 1 1.463 0.001 . 1 . . . . A 9 ALA HB2 . 30420 1
62 . 1 . 1 9 9 ALA HB3 H 1 1.463 0.001 . 1 . . . . A 9 ALA HB3 . 30420 1
63 . 1 . 1 9 9 ALA N N 15 118.081 0.000 . 1 . . . . A 9 ALA N . 30420 1
64 . 1 . 1 10 10 THR H H 1 7.223 0.002 . 1 . . . . A 10 THR H . 30420 1
65 . 1 . 1 10 10 THR HA H 1 4.084 0.000 . 1 . . . . A 10 THR HA . 30420 1
66 . 1 . 1 10 10 THR HB H 1 4.431 0.002 . 1 . . . . A 10 THR HB . 30420 1
67 . 1 . 1 10 10 THR HG21 H 1 1.280 0.001 . 1 . . . . A 10 THR HG21 . 30420 1
68 . 1 . 1 10 10 THR HG22 H 1 1.280 0.001 . 1 . . . . A 10 THR HG22 . 30420 1
69 . 1 . 1 10 10 THR HG23 H 1 1.280 0.001 . 1 . . . . A 10 THR HG23 . 30420 1
70 . 1 . 1 10 10 THR N N 15 115.857 0.000 . 1 . . . . A 10 THR N . 30420 1
71 . 1 . 1 11 11 CYS H H 1 8.417 0.001 . 1 . . . . A 11 CYS H . 30420 1
72 . 1 . 1 11 11 CYS HA H 1 4.782 0.001 . 1 . . . . A 11 CYS HA . 30420 1
73 . 1 . 1 11 11 CYS HB2 H 1 2.923 0.003 . 1 . . . . A 11 CYS HB2 . 30420 1
74 . 1 . 1 11 11 CYS HB3 H 1 2.923 0.003 . 1 . . . . A 11 CYS HB3 . 30420 1
75 . 1 . 1 11 11 CYS N N 15 121.782 0.000 . 1 . . . . A 11 CYS N . 30420 1
76 . 1 . 1 12 12 ARG H H 1 9.274 0.002 . 1 . . . . A 12 ARG H . 30420 1
77 . 1 . 1 12 12 ARG HA H 1 3.900 0.000 . 1 . . . . A 12 ARG HA . 30420 1
78 . 1 . 1 12 12 ARG HB2 H 1 1.941 0.000 . 1 . . . . A 12 ARG HB2 . 30420 1
79 . 1 . 1 12 12 ARG HB3 H 1 1.941 0.000 . 1 . . . . A 12 ARG HB3 . 30420 1
80 . 1 . 1 12 12 ARG HG2 H 1 1.623 0.000 . 2 . . . . A 12 ARG HG2 . 30420 1
81 . 1 . 1 12 12 ARG HG3 H 1 1.890 0.000 . 2 . . . . A 12 ARG HG3 . 30420 1
82 . 1 . 1 12 12 ARG HD2 H 1 3.161 0.000 . 2 . . . . A 12 ARG HD2 . 30420 1
83 . 1 . 1 12 12 ARG HD3 H 1 3.263 0.000 . 2 . . . . A 12 ARG HD3 . 30420 1
84 . 1 . 1 12 12 ARG HE H 1 7.342 0.002 . 1 . . . . A 12 ARG HE . 30420 1
85 . 1 . 1 12 12 ARG N N 15 121.548 0.000 . 1 . . . . A 12 ARG N . 30420 1
86 . 1 . 1 12 12 ARG NE N 15 84.2 0.000 . 1 . . . . A 12 ARG NE . 30420 1
87 . 1 . 1 13 13 HIS H H 1 7.810 0.002 . 1 . . . . A 13 HIS H . 30420 1
88 . 1 . 1 13 13 HIS HA H 1 4.325 0.001 . 1 . . . . A 13 HIS HA . 30420 1
89 . 1 . 1 13 13 HIS HB2 H 1 3.358 0.001 . 1 . . . . A 13 HIS HB2 . 30420 1
90 . 1 . 1 13 13 HIS HB3 H 1 3.358 0.001 . 1 . . . . A 13 HIS HB3 . 30420 1
91 . 1 . 1 13 13 HIS HD2 H 1 7.310 0.002 . 1 . . . . A 13 HIS HD2 . 30420 1
92 . 1 . 1 13 13 HIS HE1 H 1 8.539 0.000 . 1 . . . . A 13 HIS HE1 . 30420 1
93 . 1 . 1 13 13 HIS N N 15 118.389 0.000 . 1 . . . . A 13 HIS N . 30420 1
94 . 1 . 1 14 14 ALA H H 1 8.043 0.001 . 1 . . . . A 14 ALA H . 30420 1
95 . 1 . 1 14 14 ALA HA H 1 3.747 0.001 . 1 . . . . A 14 ALA HA . 30420 1
96 . 1 . 1 14 14 ALA HB1 H 1 0.846 0.001 . 1 . . . . A 14 ALA HB1 . 30420 1
97 . 1 . 1 14 14 ALA HB2 H 1 0.846 0.001 . 1 . . . . A 14 ALA HB2 . 30420 1
98 . 1 . 1 14 14 ALA HB3 H 1 0.846 0.001 . 1 . . . . A 14 ALA HB3 . 30420 1
99 . 1 . 1 14 14 ALA N N 15 121.489 0.000 . 1 . . . . A 14 ALA N . 30420 1
100 . 1 . 1 15 15 LYS H H 1 8.052 0.001 . 1 . . . . A 15 LYS H . 30420 1
101 . 1 . 1 15 15 LYS HA H 1 4.121 0.001 . 1 . . . . A 15 LYS HA . 30420 1
102 . 1 . 1 15 15 LYS HB2 H 1 1.927 0.000 . 1 . . . . A 15 LYS HB2 . 30420 1
103 . 1 . 1 15 15 LYS HB3 H 1 1.927 0.000 . 1 . . . . A 15 LYS HB3 . 30420 1
104 . 1 . 1 15 15 LYS HG2 H 1 1.586 0.000 . 2 . . . . A 15 LYS HG2 . 30420 1
105 . 1 . 1 15 15 LYS HG3 H 1 1.367 0.006 . 2 . . . . A 15 LYS HG3 . 30420 1
106 . 1 . 1 15 15 LYS HD2 H 1 1.717 0.000 . 2 . . . . A 15 LYS HD2 . 30420 1
107 . 1 . 1 15 15 LYS HD3 H 1 1.612 0.000 . 2 . . . . A 15 LYS HD3 . 30420 1
108 . 1 . 1 15 15 LYS HE2 H 1 3.004 0.001 . 1 . . . . A 15 LYS HE2 . 30420 1
109 . 1 . 1 15 15 LYS HE3 H 1 3.004 0.001 . 1 . . . . A 15 LYS HE3 . 30420 1
110 . 1 . 1 15 15 LYS HZ1 H 1 7.598 0.000 . 1 . . . . A 15 LYS HZ1 . 30420 1
111 . 1 . 1 15 15 LYS HZ2 H 1 7.598 0.000 . 1 . . . . A 15 LYS HZ2 . 30420 1
112 . 1 . 1 15 15 LYS HZ3 H 1 7.598 0.000 . 1 . . . . A 15 LYS HZ3 . 30420 1
113 . 1 . 1 15 15 LYS N N 15 117.542 0.000 . 1 . . . . A 15 LYS N . 30420 1
114 . 1 . 1 16 16 SER H H 1 7.910 0.002 . 1 . . . . A 16 SER H . 30420 1
115 . 1 . 1 16 16 SER HA H 1 4.208 0.000 . 1 . . . . A 16 SER HA . 30420 1
116 . 1 . 1 16 16 SER HB2 H 1 3.979 0.000 . 1 . . . . A 16 SER HB2 . 30420 1
117 . 1 . 1 16 16 SER HB3 H 1 3.979 0.000 . 1 . . . . A 16 SER HB3 . 30420 1
118 . 1 . 1 16 16 SER N N 15 116.252 0.000 . 1 . . . . A 16 SER N . 30420 1
119 . 1 . 1 17 17 VAL H H 1 7.308 0.002 . 1 . . . . A 17 VAL H . 30420 1
120 . 1 . 1 17 17 VAL HA H 1 4.497 0.001 . 1 . . . . A 17 VAL HA . 30420 1
121 . 1 . 1 17 17 VAL HB H 1 2.375 0.001 . 1 . . . . A 17 VAL HB . 30420 1
122 . 1 . 1 17 17 VAL HG11 H 1 0.615 0.001 . 2 . . . . A 17 VAL HG11 . 30420 1
123 . 1 . 1 17 17 VAL HG12 H 1 0.615 0.001 . 2 . . . . A 17 VAL HG12 . 30420 1
124 . 1 . 1 17 17 VAL HG13 H 1 0.615 0.001 . 2 . . . . A 17 VAL HG13 . 30420 1
125 . 1 . 1 17 17 VAL HG21 H 1 0.662 0.001 . 2 . . . . A 17 VAL HG21 . 30420 1
126 . 1 . 1 17 17 VAL HG22 H 1 0.662 0.001 . 2 . . . . A 17 VAL HG22 . 30420 1
127 . 1 . 1 17 17 VAL HG23 H 1 0.662 0.001 . 2 . . . . A 17 VAL HG23 . 30420 1
128 . 1 . 1 17 17 VAL N N 15 111.067 0.000 . 1 . . . . A 17 VAL N . 30420 1
129 . 1 . 1 18 18 GLY H H 1 7.412 0.002 . 1 . . . . A 18 GLY H . 30420 1
130 . 1 . 1 18 18 GLY HA2 H 1 4.306 0.001 . 2 . . . . A 18 GLY HA2 . 30420 1
131 . 1 . 1 18 18 GLY HA3 H 1 3.993 0.001 . 2 . . . . A 18 GLY HA3 . 30420 1
132 . 1 . 1 18 18 GLY N N 15 107.862 0.000 . 1 . . . . A 18 GLY N . 30420 1
133 . 1 . 1 19 19 ASN H H 1 8.199 0.002 . 1 . . . . A 19 ASN H . 30420 1
134 . 1 . 1 19 19 ASN HA H 1 5.034 0.001 . 1 . . . . A 19 ASN HA . 30420 1
135 . 1 . 1 19 19 ASN HB2 H 1 2.108 0.001 . 1 . . . . A 19 ASN HB2 . 30420 1
136 . 1 . 1 19 19 ASN HB3 H 1 2.815 0.001 . 1 . . . . A 19 ASN HB3 . 30420 1
137 . 1 . 1 19 19 ASN HD21 H 1 6.948 0.002 . 1 . . . . A 19 ASN HD21 . 30420 1
138 . 1 . 1 19 19 ASN HD22 H 1 7.044 0.001 . 1 . . . . A 19 ASN HD22 . 30420 1
139 . 1 . 1 19 19 ASN N N 15 116.561 0.000 . 1 . . . . A 19 ASN N . 30420 1
140 . 1 . 1 19 19 ASN ND2 N 15 110.212 0.002 . 1 . . . . A 19 ASN ND2 . 30420 1
141 . 1 . 1 20 20 CYS H H 1 8.596 0.001 . 1 . . . . A 20 CYS H . 30420 1
142 . 1 . 1 20 20 CYS HA H 1 4.544 0.000 . 1 . . . . A 20 CYS HA . 30420 1
143 . 1 . 1 20 20 CYS HB2 H 1 3.157 0.000 . 1 . . . . A 20 CYS HB2 . 30420 1
144 . 1 . 1 20 20 CYS HB3 H 1 3.075 0.000 . 1 . . . . A 20 CYS HB3 . 30420 1
145 . 1 . 1 20 20 CYS N N 15 117.445 0.000 . 1 . . . . A 20 CYS N . 30420 1
146 . 1 . 1 21 21 SER H H 1 7.570 0.001 . 1 . . . . A 21 SER H . 30420 1
147 . 1 . 1 21 21 SER HA H 1 4.350 0.001 . 1 . . . . A 21 SER HA . 30420 1
148 . 1 . 1 21 21 SER HB2 H 1 4.042 0.000 . 2 . . . . A 21 SER HB2 . 30420 1
149 . 1 . 1 21 21 SER HB3 H 1 3.917 0.000 . 2 . . . . A 21 SER HB3 . 30420 1
150 . 1 . 1 21 21 SER N N 15 110.829 0.000 . 1 . . . . A 21 SER N . 30420 1
151 . 1 . 1 22 22 SER H H 1 7.804 0.001 . 1 . . . . A 22 SER H . 30420 1
152 . 1 . 1 22 22 SER HA H 1 4.682 0.001 . 1 . . . . A 22 SER HA . 30420 1
153 . 1 . 1 22 22 SER HB2 H 1 4.269 0.001 . 1 . . . . A 22 SER HB2 . 30420 1
154 . 1 . 1 22 22 SER HB3 H 1 4.269 0.001 . 1 . . . . A 22 SER HB3 . 30420 1
155 . 1 . 1 22 22 SER N N 15 118.168 0.000 . 1 . . . . A 22 SER N . 30420 1
156 . 1 . 1 23 23 GLU H H 1 9.182 0.001 . 1 . . . . A 23 GLU H . 30420 1
157 . 1 . 1 23 23 GLU HA H 1 3.906 0.001 . 1 . . . . A 23 GLU HA . 30420 1
158 . 1 . 1 23 23 GLU HB2 H 1 2.004 0.000 . 2 . . . . A 23 GLU HB2 . 30420 1
159 . 1 . 1 23 23 GLU HB3 H 1 2.111 0.000 . 2 . . . . A 23 GLU HB3 . 30420 1
160 . 1 . 1 23 23 GLU HG2 H 1 2.321 0.002 . 1 . . . . A 23 GLU HG2 . 30420 1
161 . 1 . 1 23 23 GLU HG3 H 1 2.321 0.002 . 1 . . . . A 23 GLU HG3 . 30420 1
162 . 1 . 1 23 23 GLU N N 15 127.772 0.000 . 1 . . . . A 23 GLU N . 30420 1
163 . 1 . 1 24 24 LYS H H 1 8.372 0.000 . 1 . . . . A 24 LYS H . 30420 1
164 . 1 . 1 24 24 LYS HA H 1 3.836 0.001 . 1 . . . . A 24 LYS HA . 30420 1
165 . 1 . 1 24 24 LYS HB2 H 1 1.813 0.001 . 2 . . . . A 24 LYS HB2 . 30420 1
166 . 1 . 1 24 24 LYS HB3 H 1 1.327 0.002 . 2 . . . . A 24 LYS HB3 . 30420 1
167 . 1 . 1 24 24 LYS HG2 H 1 1.104 0.001 . 2 . . . . A 24 LYS HG2 . 30420 1
168 . 1 . 1 24 24 LYS HG3 H 1 0.477 0.002 . 2 . . . . A 24 LYS HG3 . 30420 1
169 . 1 . 1 24 24 LYS HD2 H 1 1.561 0.000 . 1 . . . . A 24 LYS HD2 . 30420 1
170 . 1 . 1 24 24 LYS HD3 H 1 1.561 0.001 . 1 . . . . A 24 LYS HD3 . 30420 1
171 . 1 . 1 24 24 LYS HE2 H 1 2.873 0.000 . 2 . . . . A 24 LYS HE2 . 30420 1
172 . 1 . 1 24 24 LYS HE3 H 1 2.809 0.000 . 2 . . . . A 24 LYS HE3 . 30420 1
173 . 1 . 1 24 24 LYS N N 15 116.967 0.000 . 1 . . . . A 24 LYS N . 30420 1
174 . 1 . 1 25 25 TYR H H 1 7.133 0.002 . 1 . . . . A 25 TYR H . 30420 1
175 . 1 . 1 25 25 TYR HA H 1 4.071 0.001 . 1 . . . . A 25 TYR HA . 30420 1
176 . 1 . 1 25 25 TYR HB2 H 1 3.094 0.001 . 1 . . . . A 25 TYR HB2 . 30420 1
177 . 1 . 1 25 25 TYR HB3 H 1 2.946 0.001 . 1 . . . . A 25 TYR HB3 . 30420 1
178 . 1 . 1 25 25 TYR HD1 H 1 7.247 0.000 . 1 . . . . A 25 TYR HD1 . 30420 1
179 . 1 . 1 25 25 TYR HD2 H 1 7.247 0.000 . 1 . . . . A 25 TYR HD2 . 30420 1
180 . 1 . 1 25 25 TYR HE1 H 1 6.876 0.002 . 1 . . . . A 25 TYR HE1 . 30420 1
181 . 1 . 1 25 25 TYR HE2 H 1 6.876 0.002 . 1 . . . . A 25 TYR HE2 . 30420 1
182 . 1 . 1 25 25 TYR N N 15 116.390 0.000 . 1 . . . . A 25 TYR N . 30420 1
183 . 1 . 1 26 26 LYS H H 1 8.396 0.000 . 1 . . . . A 26 LYS H . 30420 1
184 . 1 . 1 26 26 LYS HA H 1 3.680 0.001 . 1 . . . . A 26 LYS HA . 30420 1
185 . 1 . 1 26 26 LYS HB2 H 1 1.825 0.000 . 2 . . . . A 26 LYS HB2 . 30420 1
186 . 1 . 1 26 26 LYS HB3 H 1 1.674 0.000 . 2 . . . . A 26 LYS HB3 . 30420 1
187 . 1 . 1 26 26 LYS HG2 H 1 1.301 0.001 . 1 . . . . A 26 LYS HG2 . 30420 1
188 . 1 . 1 26 26 LYS HG3 H 1 1.301 0.001 . 1 . . . . A 26 LYS HG3 . 30420 1
189 . 1 . 1 26 26 LYS HD2 H 1 1.578 0.000 . 1 . . . . A 26 LYS HD2 . 30420 1
190 . 1 . 1 26 26 LYS HD3 H 1 1.578 0.000 . 1 . . . . A 26 LYS HD3 . 30420 1
191 . 1 . 1 26 26 LYS HE2 H 1 2.910 0.002 . 1 . . . . A 26 LYS HE2 . 30420 1
192 . 1 . 1 26 26 LYS HE3 H 1 2.910 0.002 . 1 . . . . A 26 LYS HE3 . 30420 1
193 . 1 . 1 26 26 LYS N N 15 122.952 0.000 . 1 . . . . A 26 LYS N . 30420 1
194 . 1 . 1 27 27 ARG H H 1 7.711 0.001 . 1 . . . . A 27 ARG H . 30420 1
195 . 1 . 1 27 27 ARG HA H 1 4.133 0.000 . 1 . . . . A 27 ARG HA . 30420 1
196 . 1 . 1 27 27 ARG HB2 H 1 1.732 0.000 . 2 . . . . A 27 ARG HB2 . 30420 1
197 . 1 . 1 27 27 ARG HB3 H 1 1.661 0.000 . 2 . . . . A 27 ARG HB3 . 30420 1
198 . 1 . 1 27 27 ARG HG2 H 1 1.639 0.000 . 2 . . . . A 27 ARG HG2 . 30420 1
199 . 1 . 1 27 27 ARG HG3 H 1 1.520 0.000 . 2 . . . . A 27 ARG HG3 . 30420 1
200 . 1 . 1 27 27 ARG HD2 H 1 3.101 0.000 . 1 . . . . A 27 ARG HD2 . 30420 1
201 . 1 . 1 27 27 ARG HD3 H 1 3.100 0.001 . 1 . . . . A 27 ARG HD3 . 30420 1
202 . 1 . 1 27 27 ARG HE H 1 7.496 0.001 . 1 . . . . A 27 ARG HE . 30420 1
203 . 1 . 1 27 27 ARG N N 15 111.907 0.000 . 1 . . . . A 27 ARG N . 30420 1
204 . 1 . 1 27 27 ARG NE N 15 84.8 0.000 . 1 . . . . A 27 ARG NE . 30420 1
205 . 1 . 1 28 28 ASN H H 1 7.155 0.003 . 1 . . . . A 28 ASN H . 30420 1
206 . 1 . 1 28 28 ASN HA H 1 4.551 0.001 . 1 . . . . A 28 ASN HA . 30420 1
207 . 1 . 1 28 28 ASN HB2 H 1 1.561 0.001 . 1 . . . . A 28 ASN HB2 . 30420 1
208 . 1 . 1 28 28 ASN HB3 H 1 0.863 0.001 . 1 . . . . A 28 ASN HB3 . 30420 1
209 . 1 . 1 28 28 ASN HD21 H 1 6.970 0.001 . 1 . . . . A 28 ASN HD21 . 30420 1
210 . 1 . 1 28 28 ASN HD22 H 1 7.149 0.001 . 1 . . . . A 28 ASN HD22 . 30420 1
211 . 1 . 1 28 28 ASN N N 15 113.566 0.000 . 1 . . . . A 28 ASN N . 30420 1
212 . 1 . 1 28 28 ASN ND2 N 15 115.418 0.002 . 1 . . . . A 28 ASN ND2 . 30420 1
213 . 1 . 1 29 29 CYS H H 1 8.136 0.002 . 1 . . . . A 29 CYS H . 30420 1
214 . 1 . 1 29 29 CYS HA H 1 5.283 0.002 . 1 . . . . A 29 CYS HA . 30420 1
215 . 1 . 1 29 29 CYS HB2 H 1 3.394 0.001 . 1 . . . . A 29 CYS HB2 . 30420 1
216 . 1 . 1 29 29 CYS HB3 H 1 3.182 0.001 . 1 . . . . A 29 CYS HB3 . 30420 1
217 . 1 . 1 29 29 CYS N N 15 123.561 0.000 . 1 . . . . A 29 CYS N . 30420 1
218 . 1 . 1 30 30 ALA H H 1 9.155 0.002 . 1 . . . . A 30 ALA H . 30420 1
219 . 1 . 1 30 30 ALA HA H 1 4.019 0.000 . 1 . . . . A 30 ALA HA . 30420 1
220 . 1 . 1 30 30 ALA HB1 H 1 1.493 0.001 . 1 . . . . A 30 ALA HB1 . 30420 1
221 . 1 . 1 30 30 ALA HB2 H 1 1.493 0.001 . 1 . . . . A 30 ALA HB2 . 30420 1
222 . 1 . 1 30 30 ALA HB3 H 1 1.493 0.001 . 1 . . . . A 30 ALA HB3 . 30420 1
223 . 1 . 1 30 30 ALA N N 15 123.513 0.000 . 1 . . . . A 30 ALA N . 30420 1
224 . 1 . 1 31 31 ILE H H 1 7.749 0.001 . 1 . . . . A 31 ILE H . 30420 1
225 . 1 . 1 31 31 ILE HA H 1 4.085 0.000 . 1 . . . . A 31 ILE HA . 30420 1
226 . 1 . 1 31 31 ILE HB H 1 1.806 0.001 . 1 . . . . A 31 ILE HB . 30420 1
227 . 1 . 1 31 31 ILE HG12 H 1 1.415 0.000 . 2 . . . . A 31 ILE HG12 . 30420 1
228 . 1 . 1 31 31 ILE HG13 H 1 1.119 0.003 . 2 . . . . A 31 ILE HG13 . 30420 1
229 . 1 . 1 31 31 ILE HG21 H 1 0.848 0.001 . 1 . . . . A 31 ILE HG21 . 30420 1
230 . 1 . 1 31 31 ILE HG22 H 1 0.848 0.001 . 1 . . . . A 31 ILE HG22 . 30420 1
231 . 1 . 1 31 31 ILE HG23 H 1 0.848 0.001 . 1 . . . . A 31 ILE HG23 . 30420 1
232 . 1 . 1 31 31 ILE HD11 H 1 0.798 0.002 . 1 . . . . A 31 ILE HD11 . 30420 1
233 . 1 . 1 31 31 ILE HD12 H 1 0.798 0.002 . 1 . . . . A 31 ILE HD12 . 30420 1
234 . 1 . 1 31 31 ILE HD13 H 1 0.798 0.002 . 1 . . . . A 31 ILE HD13 . 30420 1
235 . 1 . 1 31 31 ILE N N 15 115.078 0.000 . 1 . . . . A 31 ILE N . 30420 1
236 . 1 . 1 32 32 THR H H 1 9.922 0.001 . 1 . . . . A 32 THR H . 30420 1
237 . 1 . 1 32 32 THR HA H 1 3.795 0.001 . 1 . . . . A 32 THR HA . 30420 1
238 . 1 . 1 32 32 THR HB H 1 3.991 0.000 . 1 . . . . A 32 THR HB . 30420 1
239 . 1 . 1 32 32 THR HG21 H 1 1.052 0.002 . 1 . . . . A 32 THR HG21 . 30420 1
240 . 1 . 1 32 32 THR HG22 H 1 1.052 0.002 . 1 . . . . A 32 THR HG22 . 30420 1
241 . 1 . 1 32 32 THR HG23 H 1 1.052 0.002 . 1 . . . . A 32 THR HG23 . 30420 1
242 . 1 . 1 32 32 THR N N 15 125.063 0.000 . 1 . . . . A 32 THR N . 30420 1
243 . 1 . 1 33 33 CYS H H 1 9.191 0.001 . 1 . . . . A 33 CYS H . 30420 1
244 . 1 . 1 33 33 CYS HA H 1 4.853 0.003 . 1 . . . . A 33 CYS HA . 30420 1
245 . 1 . 1 33 33 CYS HB2 H 1 2.862 0.001 . 1 . . . . A 33 CYS HB2 . 30420 1
246 . 1 . 1 33 33 CYS HB3 H 1 3.298 0.002 . 1 . . . . A 33 CYS HB3 . 30420 1
247 . 1 . 1 33 33 CYS N N 15 113.570 0.000 . 1 . . . . A 33 CYS N . 30420 1
248 . 1 . 1 34 34 GLY H H 1 7.716 0.002 . 1 . . . . A 34 GLY H . 30420 1
249 . 1 . 1 34 34 GLY HA2 H 1 4.005 0.000 . 1 . . . . A 34 GLY HA2 . 30420 1
250 . 1 . 1 34 34 GLY HA3 H 1 4.005 0.000 . 1 . . . . A 34 GLY HA3 . 30420 1
251 . 1 . 1 34 34 GLY N N 15 110.701 0.000 . 1 . . . . A 34 GLY N . 30420 1
252 . 1 . 1 35 35 ALA H H 1 8.821 0.001 . 1 . . . . A 35 ALA H . 30420 1
253 . 1 . 1 35 35 ALA HA H 1 4.529 0.000 . 1 . . . . A 35 ALA HA . 30420 1
254 . 1 . 1 35 35 ALA HB1 H 1 1.448 0.001 . 1 . . . . A 35 ALA HB1 . 30420 1
255 . 1 . 1 35 35 ALA HB2 H 1 1.448 0.001 . 1 . . . . A 35 ALA HB2 . 30420 1
256 . 1 . 1 35 35 ALA HB3 H 1 1.448 0.001 . 1 . . . . A 35 ALA HB3 . 30420 1
257 . 1 . 1 35 35 ALA N N 15 123.990 0.000 . 1 . . . . A 35 ALA N . 30420 1
258 . 1 . 1 36 36 CYS H H 1 7.774 0.002 . 1 . . . . A 36 CYS H . 30420 1
259 . 1 . 1 36 36 CYS HA H 1 4.373 0.000 . 1 . . . . A 36 CYS HA . 30420 1
260 . 1 . 1 36 36 CYS HB2 H 1 3.070 0.000 . 1 . . . . A 36 CYS HB2 . 30420 1
261 . 1 . 1 36 36 CYS HB3 H 1 3.225 0.000 . 1 . . . . A 36 CYS HB3 . 30420 1
262 . 1 . 1 36 36 CYS N N 15 119.195 0.000 . 1 . . . . A 36 CYS N . 30420 1
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