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 30896
_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-1H TOCSY' . . . 30896 1
2 '2D 1H-1H NOESY' . . . 30896 1
3 '2D 1H-1H COSY' . . . 30896 1
4 '2D 1H-13C HSQC' . . . 30896 1
5 '2D 1H-15N HSQC' . . . 30896 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 PCA HA H 1 4.742 0.020 . 1 . . . . A 1 PCA HA . 30896 1
2 . 1 . 1 1 1 PCA HB2 H 1 2.633 0.020 . 2 . . . . A 1 PCA HB2 . 30896 1
3 . 1 . 1 1 1 PCA HB3 H 1 2.439 0.020 . 2 . . . . A 1 PCA HB3 . 30896 1
4 . 1 . 1 1 1 PCA HG2 H 1 2.067 0.020 . 2 . . . . A 1 PCA HG2 . 30896 1
5 . 1 . 1 1 1 PCA HG3 H 1 2.067 0.020 . 2 . . . . A 1 PCA HG3 . 30896 1
6 . 1 . 1 2 2 PRO HA H 1 4.452 0.020 . 1 . . . . A 2 PRO HA . 30896 1
7 . 1 . 1 2 2 PRO HB2 H 1 2.252 0.020 . 2 . . . . A 2 PRO HB2 . 30896 1
8 . 1 . 1 2 2 PRO HB3 H 1 2.252 0.020 . 2 . . . . A 2 PRO HB3 . 30896 1
9 . 1 . 1 2 2 PRO HG2 H 1 2.021 0.020 . 2 . . . . A 2 PRO HG2 . 30896 1
10 . 1 . 1 2 2 PRO HG3 H 1 1.882 0.020 . 2 . . . . A 2 PRO HG3 . 30896 1
11 . 1 . 1 2 2 PRO HD2 H 1 3.608 0.020 . 2 . . . . A 2 PRO HD2 . 30896 1
12 . 1 . 1 2 2 PRO HD3 H 1 3.773 0.020 . 2 . . . . A 2 PRO HD3 . 30896 1
13 . 1 . 1 2 2 PRO CA C 13 65.857 0.400 . 1 . . . . A 2 PRO CA . 30896 1
14 . 1 . 1 2 2 PRO CB C 13 34.645 0.400 . 1 . . . . A 2 PRO CB . 30896 1
15 . 1 . 1 3 3 ARG H H 1 8.497 0.020 . 1 . . . . A 3 ARG H . 30896 1
16 . 1 . 1 3 3 ARG HA H 1 4.391 0.020 . 1 . . . . A 3 ARG HA . 30896 1
17 . 1 . 1 3 3 ARG HB2 H 1 1.883 0.020 . 2 . . . . A 3 ARG HB2 . 30896 1
18 . 1 . 1 3 3 ARG HB3 H 1 1.883 0.020 . 2 . . . . A 3 ARG HB3 . 30896 1
19 . 1 . 1 3 3 ARG HG2 H 1 1.701 0.020 . 2 . . . . A 3 ARG HG2 . 30896 1
20 . 1 . 1 3 3 ARG HG3 H 1 1.701 0.020 . 2 . . . . A 3 ARG HG3 . 30896 1
21 . 1 . 1 3 3 ARG HD2 H 1 3.177 0.020 . 2 . . . . A 3 ARG HD2 . 30896 1
22 . 1 . 1 3 3 ARG HD3 H 1 3.177 0.020 . 2 . . . . A 3 ARG HD3 . 30896 1
23 . 1 . 1 3 3 ARG HE H 1 7.261 0.020 . 1 . . . . A 3 ARG HE . 30896 1
24 . 1 . 1 3 3 ARG CB C 13 27.530 0.400 . 1 . . . . A 3 ARG CB . 30896 1
25 . 1 . 1 3 3 ARG CG C 13 29.973 0.400 . 1 . . . . A 3 ARG CG . 30896 1
26 . 1 . 1 4 4 SER H H 1 8.404 0.020 . 1 . . . . A 4 SER H . 30896 1
27 . 1 . 1 4 4 SER HA H 1 4.357 0.020 . 1 . . . . A 4 SER HA . 30896 1
28 . 1 . 1 4 4 SER HB2 H 1 3.853 0.020 . 2 . . . . A 4 SER HB2 . 30896 1
29 . 1 . 1 4 4 SER HB3 H 1 3.853 0.020 . 2 . . . . A 4 SER HB3 . 30896 1
30 . 1 . 1 4 4 SER CA C 13 61.839 0.400 . 1 . . . . A 4 SER CA . 30896 1
31 . 1 . 1 4 4 SER CB C 13 66.619 0.400 . 1 . . . . A 4 SER CB . 30896 1
32 . 1 . 1 4 4 SER N N 15 117.114 0.400 . 1 . . . . A 4 SER N . 30896 1
33 . 1 . 1 5 5 HIS H H 1 8.262 0.020 . 1 . . . . A 5 HIS H . 30896 1
34 . 1 . 1 5 5 HIS HA H 1 4.914 0.020 . 1 . . . . A 5 HIS HA . 30896 1
35 . 1 . 1 5 5 HIS HB2 H 1 3.387 0.020 . 2 . . . . A 5 HIS HB2 . 30896 1
36 . 1 . 1 5 5 HIS HB3 H 1 3.387 0.020 . 2 . . . . A 5 HIS HB3 . 30896 1
37 . 1 . 1 5 5 HIS HD2 H 1 7.306 0.020 . 1 . . . . A 5 HIS HD2 . 30896 1
38 . 1 . 1 5 5 HIS HE1 H 1 8.689 0.020 . 1 . . . . A 5 HIS HE1 . 30896 1
39 . 1 . 1 5 5 HIS CD2 C 13 122.736 0.400 . 1 . . . . A 5 HIS CD2 . 30896 1
40 . 1 . 1 5 5 HIS CE1 C 13 139.890 0.400 . 1 . . . . A 5 HIS CE1 . 30896 1
41 . 1 . 1 5 5 HIS N N 15 117.098 0.400 . 1 . . . . A 5 HIS N . 30896 1
42 . 1 . 1 6 6 VAL H H 1 8.626 0.020 . 1 . . . . A 6 VAL H . 30896 1
43 . 1 . 1 6 6 VAL HA H 1 4.501 0.020 . 1 . . . . A 6 VAL HA . 30896 1
44 . 1 . 1 6 6 VAL HB H 1 2.048 0.020 . 1 . . . . A 6 VAL HB . 30896 1
45 . 1 . 1 6 6 VAL HG11 H 1 0.732 0.020 . 2 . . . . A 6 VAL HG11 . 30896 1
46 . 1 . 1 6 6 VAL HG12 H 1 0.732 0.020 . 2 . . . . A 6 VAL HG12 . 30896 1
47 . 1 . 1 6 6 VAL HG13 H 1 0.732 0.020 . 2 . . . . A 6 VAL HG13 . 30896 1
48 . 1 . 1 6 6 VAL HG21 H 1 0.396 0.020 . 2 . . . . A 6 VAL HG21 . 30896 1
49 . 1 . 1 6 6 VAL HG22 H 1 0.396 0.020 . 2 . . . . A 6 VAL HG22 . 30896 1
50 . 1 . 1 6 6 VAL HG23 H 1 0.396 0.020 . 2 . . . . A 6 VAL HG23 . 30896 1
51 . 1 . 1 6 6 VAL CG1 C 13 24.492 0.400 . 2 . . . . A 6 VAL CG1 . 30896 1
52 . 1 . 1 6 6 VAL CG2 C 13 20.661 0.400 . 2 . . . . A 6 VAL CG2 . 30896 1
53 . 1 . 1 7 7 ASP H H 1 8.229 0.020 . 1 . . . . A 7 ASP H . 30896 1
54 . 1 . 1 7 7 ASP HA H 1 5.107 0.020 . 1 . . . . A 7 ASP HA . 30896 1
55 . 1 . 1 7 7 ASP HB2 H 1 3.016 0.020 . 2 . . . . A 7 ASP HB2 . 30896 1
56 . 1 . 1 7 7 ASP HB3 H 1 2.552 0.020 . 2 . . . . A 7 ASP HB3 . 30896 1
57 . 1 . 1 7 7 ASP CA C 13 54.443 0.400 . 1 . . . . A 7 ASP CA . 30896 1
58 . 1 . 1 8 8 CYS H H 1 9.870 0.020 . 1 . . . . A 8 CYS H . 30896 1
59 . 1 . 1 8 8 CYS HA H 1 4.389 0.020 . 1 . . . . A 8 CYS HA . 30896 1
60 . 1 . 1 8 8 CYS HB2 H 1 3.002 0.020 . 2 . . . . A 8 CYS HB2 . 30896 1
61 . 1 . 1 8 8 CYS HB3 H 1 3.002 0.020 . 2 . . . . A 8 CYS HB3 . 30896 1
62 . 1 . 1 9 9 PRO HA H 1 4.266 0.020 . 1 . . . . A 9 PRO HA . 30896 1
63 . 1 . 1 9 9 PRO HD2 H 1 3.697 0.020 . 2 . . . . A 9 PRO HD2 . 30896 1
64 . 1 . 1 9 9 PRO HD3 H 1 2.998 0.020 . 2 . . . . A 9 PRO HD3 . 30896 1
65 . 1 . 1 10 10 ALA H H 1 7.153 0.020 . 1 . . . . A 10 ALA H . 30896 1
66 . 1 . 1 10 10 ALA HA H 1 3.996 0.020 . 1 . . . . A 10 ALA HA . 30896 1
67 . 1 . 1 10 10 ALA HB1 H 1 1.380 0.020 . 1 . . . . A 10 ALA HB1 . 30896 1
68 . 1 . 1 10 10 ALA HB2 H 1 1.380 0.020 . 1 . . . . A 10 ALA HB2 . 30896 1
69 . 1 . 1 10 10 ALA HB3 H 1 1.380 0.020 . 1 . . . . A 10 ALA HB3 . 30896 1
70 . 1 . 1 10 10 ALA CA C 13 57.244 0.400 . 1 . . . . A 10 ALA CA . 30896 1
71 . 1 . 1 10 10 ALA CB C 13 20.595 0.400 . 1 . . . . A 10 ALA CB . 30896 1
72 . 1 . 1 11 11 LEU H H 1 7.469 0.020 . 1 . . . . A 11 LEU H . 30896 1
73 . 1 . 1 11 11 LEU HA H 1 4.220 0.020 . 1 . . . . A 11 LEU HA . 30896 1
74 . 1 . 1 11 11 LEU HB2 H 1 1.776 0.020 . 2 . . . . A 11 LEU HB2 . 30896 1
75 . 1 . 1 11 11 LEU HB3 H 1 1.680 0.020 . 2 . . . . A 11 LEU HB3 . 30896 1
76 . 1 . 1 11 11 LEU HG H 1 1.522 0.020 . 1 . . . . A 11 LEU HG . 30896 1
77 . 1 . 1 11 11 LEU HD11 H 1 0.763 0.020 . 2 . . . . A 11 LEU HD11 . 30896 1
78 . 1 . 1 11 11 LEU HD12 H 1 0.763 0.020 . 2 . . . . A 11 LEU HD12 . 30896 1
79 . 1 . 1 11 11 LEU HD13 H 1 0.763 0.020 . 2 . . . . A 11 LEU HD13 . 30896 1
80 . 1 . 1 11 11 LEU HD21 H 1 0.763 0.020 . 2 . . . . A 11 LEU HD21 . 30896 1
81 . 1 . 1 11 11 LEU HD22 H 1 0.763 0.020 . 2 . . . . A 11 LEU HD22 . 30896 1
82 . 1 . 1 11 11 LEU HD23 H 1 0.763 0.020 . 2 . . . . A 11 LEU HD23 . 30896 1
83 . 1 . 1 11 11 LEU CD1 C 13 26.069 0.400 . 2 . . . . A 11 LEU CD1 . 30896 1
84 . 1 . 1 11 11 LEU CD2 C 13 26.069 0.400 . 2 . . . . A 11 LEU CD2 . 30896 1
85 . 1 . 1 12 12 HIS H H 1 7.828 0.020 . 1 . . . . A 12 HIS H . 30896 1
86 . 1 . 1 12 12 HIS HA H 1 4.250 0.020 . 1 . . . . A 12 HIS HA . 30896 1
87 . 1 . 1 12 12 HIS HB2 H 1 3.555 0.020 . 2 . . . . A 12 HIS HB2 . 30896 1
88 . 1 . 1 12 12 HIS HB3 H 1 3.440 0.020 . 2 . . . . A 12 HIS HB3 . 30896 1
89 . 1 . 1 12 12 HIS HD2 H 1 7.255 0.020 . 1 . . . . A 12 HIS HD2 . 30896 1
90 . 1 . 1 12 12 HIS HE1 H 1 8.569 0.020 . 1 . . . . A 12 HIS HE1 . 30896 1
91 . 1 . 1 12 12 HIS CB C 13 28.406 0.400 . 1 . . . . A 12 HIS CB . 30896 1
92 . 1 . 1 12 12 HIS CD2 C 13 122.656 0.400 . 1 . . . . A 12 HIS CD2 . 30896 1
93 . 1 . 1 12 12 HIS CE1 C 13 138.419 0.400 . 1 . . . . A 12 HIS CE1 . 30896 1
94 . 1 . 1 13 13 GLY H H 1 7.869 0.020 . 1 . . . . A 13 GLY H . 30896 1
95 . 1 . 1 13 13 GLY HA2 H 1 4.597 0.020 . 2 . . . . A 13 GLY HA2 . 30896 1
96 . 1 . 1 13 13 GLY HA3 H 1 3.315 0.020 . 2 . . . . A 13 GLY HA3 . 30896 1
97 . 1 . 1 14 14 GLN H H 1 9.554 0.020 . 1 . . . . A 14 GLN H . 30896 1
98 . 1 . 1 14 14 GLN HA H 1 4.656 0.020 . 1 . . . . A 14 GLN HA . 30896 1
99 . 1 . 1 14 14 GLN HB2 H 1 2.055 0.020 . 2 . . . . A 14 GLN HB2 . 30896 1
100 . 1 . 1 14 14 GLN HB3 H 1 1.794 0.020 . 2 . . . . A 14 GLN HB3 . 30896 1
101 . 1 . 1 14 14 GLN HG2 H 1 2.319 0.020 . 2 . . . . A 14 GLN HG2 . 30896 1
102 . 1 . 1 14 14 GLN HG3 H 1 2.319 0.020 . 2 . . . . A 14 GLN HG3 . 30896 1
103 . 1 . 1 14 14 GLN HE21 H 1 7.674 0.020 . 2 . . . . A 14 GLN HE21 . 30896 1
104 . 1 . 1 14 14 GLN HE22 H 1 6.915 0.020 . 2 . . . . A 14 GLN HE22 . 30896 1
105 . 1 . 1 15 15 CYS H H 1 9.110 0.020 . 1 . . . . A 15 CYS H . 30896 1
106 . 1 . 1 15 15 CYS HA H 1 5.318 0.020 . 1 . . . . A 15 CYS HA . 30896 1
107 . 1 . 1 15 15 CYS HB2 H 1 3.176 0.020 . 2 . . . . A 15 CYS HB2 . 30896 1
108 . 1 . 1 15 15 CYS HB3 H 1 2.836 0.020 . 2 . . . . A 15 CYS HB3 . 30896 1
109 . 1 . 1 15 15 CYS CA C 13 56.400 0.400 . 1 . . . . A 15 CYS CA . 30896 1
110 . 1 . 1 15 15 CYS N N 15 125.031 0.400 . 1 . . . . A 15 CYS N . 30896 1
111 . 1 . 1 16 16 GLN H H 1 9.095 0.020 . 1 . . . . A 16 GLN H . 30896 1
112 . 1 . 1 16 16 GLN HA H 1 4.969 0.020 . 1 . . . . A 16 GLN HA . 30896 1
113 . 1 . 1 16 16 GLN HB2 H 1 2.345 0.020 . 2 . . . . A 16 GLN HB2 . 30896 1
114 . 1 . 1 16 16 GLN HB3 H 1 2.192 0.020 . 2 . . . . A 16 GLN HB3 . 30896 1
115 . 1 . 1 16 16 GLN HG2 H 1 2.475 0.020 . 2 . . . . A 16 GLN HG2 . 30896 1
116 . 1 . 1 16 16 GLN HG3 H 1 2.475 0.020 . 2 . . . . A 16 GLN HG3 . 30896 1
117 . 1 . 1 16 16 GLN HE21 H 1 7.289 0.020 . 2 . . . . A 16 GLN HE21 . 30896 1
118 . 1 . 1 16 16 GLN HE22 H 1 6.797 0.020 . 2 . . . . A 16 GLN HE22 . 30896 1
119 . 1 . 1 17 17 SER H H 1 8.575 0.020 . 1 . . . . A 17 SER H . 30896 1
120 . 1 . 1 17 17 SER HA H 1 4.643 0.020 . 1 . . . . A 17 SER HA . 30896 1
121 . 1 . 1 17 17 SER HB2 H 1 3.799 0.020 . 2 . . . . A 17 SER HB2 . 30896 1
122 . 1 . 1 17 17 SER HB3 H 1 3.799 0.020 . 2 . . . . A 17 SER HB3 . 30896 1
123 . 1 . 1 17 17 SER CB C 13 65.858 0.400 . 1 . . . . A 17 SER CB . 30896 1
124 . 1 . 1 17 17 SER N N 15 116.019 0.400 . 1 . . . . A 17 SER N . 30896 1
125 . 1 . 1 18 18 LEU H H 1 7.700 0.020 . 1 . . . . A 18 LEU H . 30896 1
126 . 1 . 1 18 18 LEU HA H 1 4.040 0.020 . 1 . . . . A 18 LEU HA . 30896 1
127 . 1 . 1 18 18 LEU HB2 H 1 1.476 0.020 . 2 . . . . A 18 LEU HB2 . 30896 1
128 . 1 . 1 18 18 LEU HB3 H 1 1.476 0.020 . 2 . . . . A 18 LEU HB3 . 30896 1
129 . 1 . 1 18 18 LEU HG H 1 1.181 0.020 . 1 . . . . A 18 LEU HG . 30896 1
130 . 1 . 1 18 18 LEU HD11 H 1 0.750 0.020 . 2 . . . . A 18 LEU HD11 . 30896 1
131 . 1 . 1 18 18 LEU HD12 H 1 0.750 0.020 . 2 . . . . A 18 LEU HD12 . 30896 1
132 . 1 . 1 18 18 LEU HD13 H 1 0.750 0.020 . 2 . . . . A 18 LEU HD13 . 30896 1
133 . 1 . 1 18 18 LEU HD21 H 1 0.621 0.020 . 2 . . . . A 18 LEU HD21 . 30896 1
134 . 1 . 1 18 18 LEU HD22 H 1 0.621 0.020 . 2 . . . . A 18 LEU HD22 . 30896 1
135 . 1 . 1 18 18 LEU HD23 H 1 0.621 0.020 . 2 . . . . A 18 LEU HD23 . 30896 1
136 . 1 . 1 18 18 LEU CA C 13 56.226 0.400 . 1 . . . . A 18 LEU CA . 30896 1
137 . 1 . 1 18 18 LEU CD1 C 13 28.400 0.400 . 2 . . . . A 18 LEU CD1 . 30896 1
138 . 1 . 1 18 18 LEU CD2 C 13 28.400 0.400 . 2 . . . . A 18 LEU CD2 . 30896 1
139 . 1 . 1 19 19 PRO HA H 1 4.405 0.020 . 1 . . . . A 19 PRO HA . 30896 1
140 . 1 . 1 19 19 PRO HB2 H 1 2.391 0.020 . 2 . . . . A 19 PRO HB2 . 30896 1
141 . 1 . 1 19 19 PRO HB3 H 1 2.217 0.020 . 2 . . . . A 19 PRO HB3 . 30896 1
142 . 1 . 1 19 19 PRO CA C 13 65.079 0.400 . 1 . . . . A 19 PRO CA . 30896 1
143 . 1 . 1 20 20 CYS H H 1 8.705 0.020 . 1 . . . . A 20 CYS H . 30896 1
144 . 1 . 1 20 20 CYS HA H 1 4.657 0.020 . 1 . . . . A 20 CYS HA . 30896 1
145 . 1 . 1 20 20 CYS HB2 H 1 2.687 0.020 . 2 . . . . A 20 CYS HB2 . 30896 1
146 . 1 . 1 20 20 CYS HB3 H 1 2.569 0.020 . 2 . . . . A 20 CYS HB3 . 30896 1
147 . 1 . 1 20 20 CYS N N 15 117.800 0.400 . 1 . . . . A 20 CYS N . 30896 1
148 . 1 . 1 21 21 THR H H 1 9.249 0.020 . 1 . . . . A 21 THR H . 30896 1
149 . 1 . 1 21 21 THR HA H 1 4.285 0.020 . 1 . . . . A 21 THR HA . 30896 1
150 . 1 . 1 21 21 THR HB H 1 4.146 0.020 . 1 . . . . A 21 THR HB . 30896 1
151 . 1 . 1 21 21 THR HG21 H 1 1.383 0.020 . 1 . . . . A 21 THR HG21 . 30896 1
152 . 1 . 1 21 21 THR HG22 H 1 1.383 0.020 . 1 . . . . A 21 THR HG22 . 30896 1
153 . 1 . 1 21 21 THR HG23 H 1 1.383 0.020 . 1 . . . . A 21 THR HG23 . 30896 1
154 . 1 . 1 21 21 THR CB C 13 72.256 0.400 . 1 . . . . A 21 THR CB . 30896 1
155 . 1 . 1 21 21 THR CG2 C 13 24.493 0.400 . 1 . . . . A 21 THR CG2 . 30896 1
156 . 1 . 1 22 22 TYR H H 1 8.954 0.020 . 1 . . . . A 22 TYR H . 30896 1
157 . 1 . 1 22 22 TYR HA H 1 4.520 0.020 . 1 . . . . A 22 TYR HA . 30896 1
158 . 1 . 1 22 22 TYR HB2 H 1 3.239 0.020 . 2 . . . . A 22 TYR HB2 . 30896 1
159 . 1 . 1 22 22 TYR HB3 H 1 2.883 0.020 . 2 . . . . A 22 TYR HB3 . 30896 1
160 . 1 . 1 22 22 TYR HD1 H 1 7.140 0.020 . 1 . . . . A 22 TYR HD1 . 30896 1
161 . 1 . 1 22 22 TYR HD2 H 1 7.140 0.020 . 1 . . . . A 22 TYR HD2 . 30896 1
162 . 1 . 1 22 22 TYR HE1 H 1 6.891 0.020 . 1 . . . . A 22 TYR HE1 . 30896 1
163 . 1 . 1 22 22 TYR HE2 H 1 6.891 0.020 . 1 . . . . A 22 TYR HE2 . 30896 1
164 . 1 . 1 22 22 TYR CA C 13 60.398 0.400 . 1 . . . . A 22 TYR CA . 30896 1
165 . 1 . 1 22 22 TYR CD2 C 13 136.152 0.400 . 3 . . . . A 22 TYR CD2 . 30896 1
166 . 1 . 1 22 22 TYR CE2 C 13 121.945 0.400 . 3 . . . . A 22 TYR CE2 . 30896 1
167 . 1 . 1 22 22 TYR N N 15 131.101 0.400 . 1 . . . . A 22 TYR N . 30896 1
168 . 1 . 1 23 23 PRO HA H 1 3.326 0.020 . 1 . . . . A 23 PRO HA . 30896 1
169 . 1 . 1 23 23 PRO HB2 H 1 1.964 0.020 . 2 . . . . A 23 PRO HB2 . 30896 1
170 . 1 . 1 23 23 PRO CA C 13 66.597 0.400 . 1 . . . . A 23 PRO CA . 30896 1
171 . 1 . 1 24 24 LEU H H 1 8.796 0.020 . 1 . . . . A 24 LEU H . 30896 1
172 . 1 . 1 24 24 LEU HA H 1 4.218 0.020 . 1 . . . . A 24 LEU HA . 30896 1
173 . 1 . 1 24 24 LEU HB2 H 1 1.888 0.020 . 2 . . . . A 24 LEU HB2 . 30896 1
174 . 1 . 1 24 24 LEU HB3 H 1 1.231 0.020 . 2 . . . . A 24 LEU HB3 . 30896 1
175 . 1 . 1 24 24 LEU HG H 1 1.626 0.020 . 1 . . . . A 24 LEU HG . 30896 1
176 . 1 . 1 24 24 LEU HD11 H 1 0.818 0.020 . 2 . . . . A 24 LEU HD11 . 30896 1
177 . 1 . 1 24 24 LEU HD12 H 1 0.818 0.020 . 2 . . . . A 24 LEU HD12 . 30896 1
178 . 1 . 1 24 24 LEU HD13 H 1 0.818 0.020 . 2 . . . . A 24 LEU HD13 . 30896 1
179 . 1 . 1 24 24 LEU HD21 H 1 0.677 0.020 . 2 . . . . A 24 LEU HD21 . 30896 1
180 . 1 . 1 24 24 LEU HD22 H 1 0.677 0.020 . 2 . . . . A 24 LEU HD22 . 30896 1
181 . 1 . 1 24 24 LEU HD23 H 1 0.677 0.020 . 2 . . . . A 24 LEU HD23 . 30896 1
182 . 1 . 1 24 24 LEU CG C 13 26.847 0.400 . 1 . . . . A 24 LEU CG . 30896 1
183 . 1 . 1 24 24 LEU CD1 C 13 28.390 0.400 . 2 . . . . A 24 LEU CD1 . 30896 1
184 . 1 . 1 24 24 LEU CD2 C 13 24.492 0.400 . 2 . . . . A 24 LEU CD2 . 30896 1
185 . 1 . 1 25 25 VAL H H 1 9.077 0.020 . 1 . . . . A 25 VAL H . 30896 1
186 . 1 . 1 25 25 VAL HA H 1 4.496 0.020 . 1 . . . . A 25 VAL HA . 30896 1
187 . 1 . 1 25 25 VAL HB H 1 2.098 0.020 . 1 . . . . A 25 VAL HB . 30896 1
188 . 1 . 1 25 25 VAL HG11 H 1 0.954 0.020 . 2 . . . . A 25 VAL HG11 . 30896 1
189 . 1 . 1 25 25 VAL HG12 H 1 0.954 0.020 . 2 . . . . A 25 VAL HG12 . 30896 1
190 . 1 . 1 25 25 VAL HG13 H 1 0.954 0.020 . 2 . . . . A 25 VAL HG13 . 30896 1
191 . 1 . 1 25 25 VAL HG21 H 1 0.877 0.020 . 2 . . . . A 25 VAL HG21 . 30896 1
192 . 1 . 1 25 25 VAL HG22 H 1 0.877 0.020 . 2 . . . . A 25 VAL HG22 . 30896 1
193 . 1 . 1 25 25 VAL HG23 H 1 0.877 0.020 . 2 . . . . A 25 VAL HG23 . 30896 1
194 . 1 . 1 25 25 VAL CG1 C 13 24.459 0.400 . 2 . . . . A 25 VAL CG1 . 30896 1
195 . 1 . 1 25 25 VAL CG2 C 13 22.181 0.400 . 2 . . . . A 25 VAL CG2 . 30896 1
196 . 1 . 1 26 26 PHE H H 1 8.762 0.020 . 1 . . . . A 26 PHE H . 30896 1
197 . 1 . 1 26 26 PHE HA H 1 4.951 0.020 . 1 . . . . A 26 PHE HA . 30896 1
198 . 1 . 1 26 26 PHE HB2 H 1 3.478 0.020 . 2 . . . . A 26 PHE HB2 . 30896 1
199 . 1 . 1 26 26 PHE HB3 H 1 2.934 0.020 . 2 . . . . A 26 PHE HB3 . 30896 1
200 . 1 . 1 26 26 PHE HD1 H 1 7.304 0.020 . 1 . . . . A 26 PHE HD1 . 30896 1
201 . 1 . 1 26 26 PHE HD2 H 1 7.304 0.020 . 1 . . . . A 26 PHE HD2 . 30896 1
202 . 1 . 1 26 26 PHE HE1 H 1 7.219 0.020 . 1 . . . . A 26 PHE HE1 . 30896 1
203 . 1 . 1 26 26 PHE HE2 H 1 7.219 0.020 . 1 . . . . A 26 PHE HE2 . 30896 1
204 . 1 . 1 26 26 PHE HZ H 1 6.812 0.020 . 1 . . . . A 26 PHE HZ . 30896 1
205 . 1 . 1 27 27 VAL H H 1 8.627 0.020 . 1 . . . . A 27 VAL H . 30896 1
206 . 1 . 1 27 27 VAL HA H 1 4.279 0.020 . 1 . . . . A 27 VAL HA . 30896 1
207 . 1 . 1 27 27 VAL HB H 1 2.051 0.020 . 1 . . . . A 27 VAL HB . 30896 1
208 . 1 . 1 27 27 VAL HG11 H 1 0.888 0.020 . 2 . . . . A 27 VAL HG11 . 30896 1
209 . 1 . 1 27 27 VAL HG12 H 1 0.888 0.020 . 2 . . . . A 27 VAL HG12 . 30896 1
210 . 1 . 1 27 27 VAL HG13 H 1 0.888 0.020 . 2 . . . . A 27 VAL HG13 . 30896 1
211 . 1 . 1 27 27 VAL HG21 H 1 0.611 0.020 . 2 . . . . A 27 VAL HG21 . 30896 1
212 . 1 . 1 27 27 VAL HG22 H 1 0.611 0.020 . 2 . . . . A 27 VAL HG22 . 30896 1
213 . 1 . 1 27 27 VAL HG23 H 1 0.611 0.020 . 2 . . . . A 27 VAL HG23 . 30896 1
214 . 1 . 1 27 27 VAL CG1 C 13 24.497 0.400 . 2 . . . . A 27 VAL CG1 . 30896 1
215 . 1 . 1 27 27 VAL CG2 C 13 22.945 0.400 . 2 . . . . A 27 VAL CG2 . 30896 1
216 . 1 . 1 28 28 GLY H H 1 5.617 0.020 . 1 . . . . A 28 GLY H . 30896 1
217 . 1 . 1 28 28 GLY HA2 H 1 4.095 0.020 . 2 . . . . A 28 GLY HA2 . 30896 1
218 . 1 . 1 28 28 GLY HA3 H 1 3.137 0.020 . 2 . . . . A 28 GLY HA3 . 30896 1
219 . 1 . 1 29 29 PRO HA H 1 4.519 0.020 . 1 . . . . A 29 PRO HA . 30896 1
220 . 1 . 1 29 29 PRO HB2 H 1 2.054 0.020 . 2 . . . . A 29 PRO HB2 . 30896 1
221 . 1 . 1 29 29 PRO CA C 13 65.112 0.400 . 1 . . . . A 29 PRO CA . 30896 1
222 . 1 . 1 30 30 ASP H H 1 8.849 0.020 . 1 . . . . A 30 ASP H . 30896 1
223 . 1 . 1 30 30 ASP HA H 1 5.084 0.020 . 1 . . . . A 30 ASP HA . 30896 1
224 . 1 . 1 30 30 ASP HB2 H 1 3.196 0.020 . 2 . . . . A 30 ASP HB2 . 30896 1
225 . 1 . 1 30 30 ASP HB3 H 1 2.880 0.020 . 2 . . . . A 30 ASP HB3 . 30896 1
226 . 1 . 1 30 30 ASP CA C 13 54.875 0.400 . 1 . . . . A 30 ASP CA . 30896 1
227 . 1 . 1 31 31 PRO HA H 1 4.752 0.020 . 1 . . . . A 31 PRO HA . 30896 1
228 . 1 . 1 31 31 PRO HB2 H 1 2.306 0.020 . 2 . . . . A 31 PRO HB2 . 30896 1
229 . 1 . 1 31 31 PRO HB3 H 1 2.306 0.020 . 2 . . . . A 31 PRO HB3 . 30896 1
230 . 1 . 1 31 31 PRO HG2 H 1 1.943 0.020 . 2 . . . . A 31 PRO HG2 . 30896 1
231 . 1 . 1 31 31 PRO HG3 H 1 1.794 0.020 . 2 . . . . A 31 PRO HG3 . 30896 1
232 . 1 . 1 31 31 PRO HD2 H 1 3.446 0.020 . 2 . . . . A 31 PRO HD2 . 30896 1
233 . 1 . 1 31 31 PRO HD3 H 1 3.805 0.020 . 2 . . . . A 31 PRO HD3 . 30896 1
234 . 1 . 1 32 32 PHE H H 1 7.923 0.020 . 1 . . . . A 32 PHE H . 30896 1
235 . 1 . 1 32 32 PHE HA H 1 4.204 0.020 . 1 . . . . A 32 PHE HA . 30896 1
236 . 1 . 1 32 32 PHE HB2 H 1 2.975 0.020 . 2 . . . . A 32 PHE HB2 . 30896 1
237 . 1 . 1 32 32 PHE HB3 H 1 2.634 0.020 . 2 . . . . A 32 PHE HB3 . 30896 1
238 . 1 . 1 32 32 PHE HD1 H 1 6.654 0.020 . 1 . . . . A 32 PHE HD1 . 30896 1
239 . 1 . 1 32 32 PHE HD2 H 1 6.654 0.020 . 1 . . . . A 32 PHE HD2 . 30896 1
240 . 1 . 1 32 32 PHE HE1 H 1 7.178 0.020 . 1 . . . . A 32 PHE HE1 . 30896 1
241 . 1 . 1 32 32 PHE HE2 H 1 7.178 0.020 . 1 . . . . A 32 PHE HE2 . 30896 1
242 . 1 . 1 32 32 PHE HZ H 1 7.243 0.020 . 1 . . . . A 32 PHE HZ . 30896 1
243 . 1 . 1 32 32 PHE CD2 C 13 133.687 0.400 . 3 . . . . A 32 PHE CD2 . 30896 1
244 . 1 . 1 33 33 HIS H H 1 7.493 0.020 . 1 . . . . A 33 HIS H . 30896 1
245 . 1 . 1 33 33 HIS HA H 1 4.569 0.020 . 1 . . . . A 33 HIS HA . 30896 1
246 . 1 . 1 33 33 HIS HB2 H 1 3.465 0.020 . 2 . . . . A 33 HIS HB2 . 30896 1
247 . 1 . 1 33 33 HIS HB3 H 1 2.999 0.020 . 2 . . . . A 33 HIS HB3 . 30896 1
248 . 1 . 1 33 33 HIS HD2 H 1 7.562 0.020 . 1 . . . . A 33 HIS HD2 . 30896 1
249 . 1 . 1 33 33 HIS HE1 H 1 8.640 0.020 . 1 . . . . A 33 HIS HE1 . 30896 1
250 . 1 . 1 33 33 HIS CD2 C 13 122.744 0.400 . 1 . . . . A 33 HIS CD2 . 30896 1
251 . 1 . 1 33 33 HIS CE1 C 13 138.320 0.400 . 1 . . . . A 33 HIS CE1 . 30896 1
252 . 1 . 1 34 34 CYS H H 1 8.789 0.020 . 1 . . . . A 34 CYS H . 30896 1
253 . 1 . 1 34 34 CYS HA H 1 4.734 0.020 . 1 . . . . A 34 CYS HA . 30896 1
254 . 1 . 1 34 34 CYS HB2 H 1 3.194 0.020 . 2 . . . . A 34 CYS HB2 . 30896 1
255 . 1 . 1 34 34 CYS HB3 H 1 3.141 0.020 . 2 . . . . A 34 CYS HB3 . 30896 1
256 . 1 . 1 35 35 GLY H H 1 7.224 0.020 . 1 . . . . A 35 GLY H . 30896 1
257 . 1 . 1 35 35 GLY HA2 H 1 4.219 0.020 . 2 . . . . A 35 GLY HA2 . 30896 1
258 . 1 . 1 35 35 GLY HA3 H 1 3.664 0.020 . 2 . . . . A 35 GLY HA3 . 30896 1
259 . 1 . 1 35 35 GLY CA C 13 46.353 0.400 . 1 . . . . A 35 GLY CA . 30896 1
260 . 1 . 1 36 36 PRO HA H 1 4.361 0.020 . 1 . . . . A 36 PRO HA . 30896 1
261 . 1 . 1 36 36 PRO HB2 H 1 2.315 0.020 . 2 . . . . A 36 PRO HB2 . 30896 1
262 . 1 . 1 36 36 PRO HB3 H 1 2.118 0.020 . 2 . . . . A 36 PRO HB3 . 30896 1
263 . 1 . 1 36 36 PRO HD2 H 1 3.596 0.020 . 2 . . . . A 36 PRO HD2 . 30896 1
264 . 1 . 1 36 36 PRO HD3 H 1 3.697 0.020 . 2 . . . . A 36 PRO HD3 . 30896 1
265 . 1 . 1 36 36 PRO CA C 13 66.635 0.400 . 1 . . . . A 36 PRO CA . 30896 1
266 . 1 . 1 37 37 TYR H H 1 8.609 0.020 . 1 . . . . A 37 TYR H . 30896 1
267 . 1 . 1 37 37 TYR HA H 1 5.149 0.020 . 1 . . . . A 37 TYR HA . 30896 1
268 . 1 . 1 37 37 TYR HB2 H 1 3.387 0.020 . 2 . . . . A 37 TYR HB2 . 30896 1
269 . 1 . 1 37 37 TYR HB3 H 1 3.073 0.020 . 2 . . . . A 37 TYR HB3 . 30896 1
270 . 1 . 1 37 37 TYR HD1 H 1 7.329 0.020 . 1 . . . . A 37 TYR HD1 . 30896 1
271 . 1 . 1 37 37 TYR HD2 H 1 7.329 0.020 . 1 . . . . A 37 TYR HD2 . 30896 1
272 . 1 . 1 37 37 TYR HE1 H 1 6.677 0.020 . 1 . . . . A 37 TYR HE1 . 30896 1
273 . 1 . 1 37 37 TYR HE2 H 1 6.677 0.020 . 1 . . . . A 37 TYR HE2 . 30896 1
274 . 1 . 1 37 37 TYR CA C 13 58.747 0.400 . 1 . . . . A 37 TYR CA . 30896 1
275 . 1 . 1 37 37 TYR CE1 C 13 122.717 0.400 . 3 . . . . A 37 TYR CE1 . 30896 1
276 . 1 . 1 38 38 PRO HA H 1 3.074 0.020 . 1 . . . . A 38 PRO HA . 30896 1
277 . 1 . 1 38 38 PRO HB2 H 1 1.742 0.020 . 2 . . . . A 38 PRO HB2 . 30896 1
278 . 1 . 1 38 38 PRO CA C 13 65.820 0.400 . 1 . . . . A 38 PRO CA . 30896 1
279 . 1 . 1 39 39 GLN H H 1 8.173 0.020 . 1 . . . . A 39 GLN H . 30896 1
280 . 1 . 1 39 39 GLN HA H 1 3.656 0.020 . 1 . . . . A 39 GLN HA . 30896 1
281 . 1 . 1 39 39 GLN HB2 H 1 1.946 0.020 . 2 . . . . A 39 GLN HB2 . 30896 1
282 . 1 . 1 39 39 GLN HB3 H 1 1.572 0.020 . 2 . . . . A 39 GLN HB3 . 30896 1
283 . 1 . 1 39 39 GLN HG2 H 1 1.566 0.020 . 2 . . . . A 39 GLN HG2 . 30896 1
284 . 1 . 1 39 39 GLN HG3 H 1 1.881 0.020 . 2 . . . . A 39 GLN HG3 . 30896 1
285 . 1 . 1 39 39 GLN HE21 H 1 7.362 0.020 . 2 . . . . A 39 GLN HE21 . 30896 1
286 . 1 . 1 39 39 GLN HE22 H 1 6.722 0.020 . 2 . . . . A 39 GLN HE22 . 30896 1
287 . 1 . 1 39 39 GLN CA C 13 63.504 0.400 . 1 . . . . A 39 GLN CA . 30896 1
288 . 1 . 1 39 39 GLN CB C 13 30.705 0.400 . 1 . . . . A 39 GLN CB . 30896 1
289 . 1 . 1 39 39 GLN N N 15 125.502 0.400 . 1 . . . . A 39 GLN N . 30896 1
290 . 1 . 1 40 40 PHE H H 1 9.190 0.020 . 1 . . . . A 40 PHE H . 30896 1
291 . 1 . 1 40 40 PHE HA H 1 5.444 0.020 . 1 . . . . A 40 PHE HA . 30896 1
292 . 1 . 1 40 40 PHE HB2 H 1 2.699 0.020 . 2 . . . . A 40 PHE HB2 . 30896 1
293 . 1 . 1 40 40 PHE HB3 H 1 2.294 0.020 . 2 . . . . A 40 PHE HB3 . 30896 1
294 . 1 . 1 40 40 PHE HD1 H 1 7.268 0.020 . 1 . . . . A 40 PHE HD1 . 30896 1
295 . 1 . 1 40 40 PHE HD2 H 1 7.268 0.020 . 1 . . . . A 40 PHE HD2 . 30896 1
296 . 1 . 1 40 40 PHE HE1 H 1 7.310 0.020 . 1 . . . . A 40 PHE HE1 . 30896 1
297 . 1 . 1 40 40 PHE HE2 H 1 7.310 0.020 . 1 . . . . A 40 PHE HE2 . 30896 1
298 . 1 . 1 40 40 PHE CA C 13 58.810 0.400 . 1 . . . . A 40 PHE CA . 30896 1
299 . 1 . 1 41 41 GLY H H 1 8.837 0.020 . 1 . . . . A 41 GLY H . 30896 1
300 . 1 . 1 41 41 GLY HA2 H 1 4.484 0.020 . 2 . . . . A 41 GLY HA2 . 30896 1
301 . 1 . 1 41 41 GLY HA3 H 1 4.179 0.020 . 2 . . . . A 41 GLY HA3 . 30896 1
302 . 1 . 1 42 42 CYS H H 1 8.294 0.020 . 1 . . . . A 42 CYS H . 30896 1
303 . 1 . 1 42 42 CYS HA H 1 5.124 0.020 . 1 . . . . A 42 CYS HA . 30896 1
304 . 1 . 1 42 42 CYS HB2 H 1 3.127 0.020 . 2 . . . . A 42 CYS HB2 . 30896 1
305 . 1 . 1 42 42 CYS HB3 H 1 2.486 0.020 . 2 . . . . A 42 CYS HB3 . 30896 1
306 . 1 . 1 43 43 CYS H H 1 9.174 0.020 . 1 . . . . A 43 CYS H . 30896 1
307 . 1 . 1 43 43 CYS HA H 1 5.591 0.020 . 1 . . . . A 43 CYS HA . 30896 1
308 . 1 . 1 43 43 CYS HB2 H 1 2.866 0.020 . 2 . . . . A 43 CYS HB2 . 30896 1
309 . 1 . 1 43 43 CYS HB3 H 1 2.866 0.020 . 2 . . . . A 43 CYS HB3 . 30896 1
310 . 1 . 1 43 43 CYS CA C 13 56.512 0.400 . 1 . . . . A 43 CYS CA . 30896 1
311 . 1 . 1 44 44 ALA H H 1 9.663 0.020 . 1 . . . . A 44 ALA H . 30896 1
312 . 1 . 1 44 44 ALA HA H 1 4.694 0.020 . 1 . . . . A 44 ALA HA . 30896 1
313 . 1 . 1 44 44 ALA HB1 H 1 1.318 0.020 . 1 . . . . A 44 ALA HB1 . 30896 1
314 . 1 . 1 44 44 ALA HB2 H 1 1.318 0.020 . 1 . . . . A 44 ALA HB2 . 30896 1
315 . 1 . 1 44 44 ALA HB3 H 1 1.318 0.020 . 1 . . . . A 44 ALA HB3 . 30896 1
316 . 1 . 1 44 44 ALA CB C 13 25.297 0.400 . 1 . . . . A 44 ALA CB . 30896 1
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