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 35001
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 35001 1
2 '2D 1H-13C HSQC' . . . 35001 1
3 '2D 1H-1H TOCSY' . . . 35001 1
4 '2D 1H-1H ROESY' . . . 35001 1
5 '2D 1H-13C HCQC-TOCSY' . . . 35001 1
stop_
loop_
_Systematic_chem_shift_offset.Type
_Systematic_chem_shift_offset.Atom_type
_Systematic_chem_shift_offset.Atom_isotope_number
_Systematic_chem_shift_offset.Val
_Systematic_chem_shift_offset.Val_err
_Systematic_chem_shift_offset.Entry_ID
_Systematic_chem_shift_offset.Assigned_chem_shift_list_ID
'13C isotope effect' 'all 13C' 13 78 0.02 35001 1
'15N isotope effect' 'all 15N' 15 117 0.02 35001 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 ILE HA H 1 3.836 0.00 . 1 . . . . A 1 ILE HA . 35001 1
2 . 1 . 1 1 1 ILE HB H 1 1.945 0.00 . 1 . . . . A 1 ILE HB . 35001 1
3 . 1 . 1 1 1 ILE HG12 H 1 1.486 0.00 . . . . . . A 1 ILE HG12 . 35001 1
4 . 1 . 1 1 1 ILE HG13 H 1 1.216 0.00 . . . . . . A 1 ILE HG13 . 35001 1
5 . 1 . 1 1 1 ILE HG21 H 1 0.982 0.00 . 1 . . . . A 1 ILE HG21 . 35001 1
6 . 1 . 1 1 1 ILE HG22 H 1 0.982 0.00 . 1 . . . . A 1 ILE HG22 . 35001 1
7 . 1 . 1 1 1 ILE HG23 H 1 0.982 0.00 . 1 . . . . A 1 ILE HG23 . 35001 1
8 . 1 . 1 1 1 ILE HD11 H 1 0.906 0.00 . 1 . . . . A 1 ILE HD11 . 35001 1
9 . 1 . 1 1 1 ILE HD12 H 1 0.906 0.00 . 1 . . . . A 1 ILE HD12 . 35001 1
10 . 1 . 1 1 1 ILE HD13 H 1 0.906 0.00 . 1 . . . . A 1 ILE HD13 . 35001 1
11 . 1 . 1 1 1 ILE CA C 13 60.373 0.00 . 1 . . . . A 1 ILE CA . 35001 1
12 . 1 . 1 1 1 ILE CB C 13 39.138 0.00 . 1 . . . . A 1 ILE CB . 35001 1
13 . 1 . 1 1 1 ILE CG1 C 13 26.809 0.02 . 1 . . . . A 1 ILE CG1 . 35001 1
14 . 1 . 1 1 1 ILE CG2 C 13 16.774 0.00 . 1 . . . . A 1 ILE CG2 . 35001 1
15 . 1 . 1 1 1 ILE CD1 C 13 13.313 0.00 . 1 . . . . A 1 ILE CD1 . 35001 1
16 . 1 . 1 2 2 ALA H H 1 8.694 0.00 . 1 . . . . A 2 ALA H . 35001 1
17 . 1 . 1 2 2 ALA HA H 1 4.423 0.00 . 1 . . . . A 2 ALA HA . 35001 1
18 . 1 . 1 2 2 ALA HB1 H 1 1.389 0.00 . 1 . . . . A 2 ALA HB1 . 35001 1
19 . 1 . 1 2 2 ALA HB2 H 1 1.389 0.00 . 1 . . . . A 2 ALA HB2 . 35001 1
20 . 1 . 1 2 2 ALA HB3 H 1 1.389 0.00 . 1 . . . . A 2 ALA HB3 . 35001 1
21 . 1 . 1 2 2 ALA CA C 13 52.492 0.00 . 1 . . . . A 2 ALA CA . 35001 1
22 . 1 . 1 2 2 ALA CB C 13 19.212 0.00 . 1 . . . . A 2 ALA CB . 35001 1
23 . 1 . 1 2 2 ALA N N 15 128.740 0.00 . 1 . . . . A 2 ALA N . 35001 1
24 . 1 . 1 3 3 SER H H 1 8.474 0.00 . 1 . . . . A 3 SER H . 35001 1
25 . 1 . 1 3 3 SER HA H 1 4.429 0.00 . 1 . . . . A 3 SER HA . 35001 1
26 . 1 . 1 3 3 SER HB3 H 1 3.851 0.02 . . . . . . A 3 SER HB3 . 35001 1
27 . 1 . 1 3 3 SER CA C 13 58.407 0.00 . 1 . . . . A 3 SER CA . 35001 1
28 . 1 . 1 3 3 SER CB C 13 63.825 0.00 . 1 . . . . A 3 SER CB . 35001 1
29 . 1 . 1 3 3 SER N N 15 116.336 0.00 . 1 . . . . A 3 SER N . 35001 1
30 . 1 . 1 4 4 GLY H H 1 8.489 0.00 . 1 . . . . A 4 GLY H . 35001 1
31 . 1 . 1 4 4 GLY HA2 H 1 3.989 0.01 . 2 . . . . A 4 GLY HA2 . 35001 1
32 . 1 . 1 4 4 GLY HA3 H 1 3.989 0.01 . 2 . . . . A 4 GLY HA3 . 35001 1
33 . 1 . 1 4 4 GLY CA C 13 45.320 0.00 . 1 . . . . A 4 GLY CA . 35001 1
34 . 1 . 1 4 4 GLY N N 15 110.848 0.00 . 1 . . . . A 4 GLY N . 35001 1
35 . 1 . 1 5 5 ARG H H 1 8.344 0.00 . 1 . . . . A 5 ARG H . 35001 1
36 . 1 . 1 5 5 ARG HA H 1 4.399 0.03 . 1 . . . . A 5 ARG HA . 35001 1
37 . 1 . 1 5 5 ARG HB2 H 1 1.743 0.01 . . . . . . A 5 ARG HB2 . 35001 1
38 . 1 . 1 5 5 ARG HB3 H 1 1.867 0.03 . . . . . . A 5 ARG HB3 . 35001 1
39 . 1 . 1 5 5 ARG HG2 H 1 1.607 0.01 . 2 . . . . A 5 ARG HG2 . 35001 1
40 . 1 . 1 5 5 ARG HG3 H 1 1.607 0.01 . 2 . . . . A 5 ARG HG3 . 35001 1
41 . 1 . 1 5 5 ARG HD2 H 1 3.182 0.00 . 2 . . . . A 5 ARG HD2 . 35001 1
42 . 1 . 1 5 5 ARG HD3 H 1 3.182 0.00 . 2 . . . . A 5 ARG HD3 . 35001 1
43 . 1 . 1 5 5 ARG HE H 1 7.184 0.00 . 1 . . . . A 5 ARG HE . 35001 1
44 . 1 . 1 5 5 ARG CA C 13 56.122 0.00 . 1 . . . . A 5 ARG CA . 35001 1
45 . 1 . 1 5 5 ARG CB C 13 30.862 0.00 . 1 . . . . A 5 ARG CB . 35001 1
46 . 1 . 1 5 5 ARG CG C 13 27.155 0.00 . 1 . . . . A 5 ARG CG . 35001 1
47 . 1 . 1 5 5 ARG CD C 13 43.308 0.00 . 1 . . . . A 5 ARG CD . 35001 1
48 . 1 . 1 5 5 ARG N N 15 120.711 0.00 . 1 . . . . A 5 ARG N . 35001 1
49 . 1 . 1 5 5 ARG NE N 15 84.598 0.00 . 1 . . . . A 5 ARG NE . 35001 1
50 . 1 . 1 6 6 THR H H 1 8.218 0.00 . 1 . . . . A 6 THR H . 35001 1
51 . 1 . 1 6 6 THR HA H 1 4.354 0.00 . 1 . . . . A 6 THR HA . 35001 1
52 . 1 . 1 6 6 THR HB H 1 4.232 0.00 . 1 . . . . A 6 THR HB . 35001 1
53 . 1 . 1 6 6 THR HG21 H 1 1.189 0.01 . 1 . . . . A 6 THR HG21 . 35001 1
54 . 1 . 1 6 6 THR HG22 H 1 1.189 0.01 . 1 . . . . A 6 THR HG22 . 35001 1
55 . 1 . 1 6 6 THR HG23 H 1 1.189 0.01 . 1 . . . . A 6 THR HG23 . 35001 1
56 . 1 . 1 6 6 THR CA C 13 61.936 0.00 . 1 . . . . A 6 THR CA . 35001 1
57 . 1 . 1 6 6 THR CB C 13 69.880 0.00 . 1 . . . . A 6 THR CB . 35001 1
58 . 1 . 1 6 6 THR CG2 C 13 21.544 0.00 . 1 . . . . A 6 THR CG2 . 35001 1
59 . 1 . 1 6 6 THR N N 15 114.929 0.00 . 1 . . . . A 6 THR N . 35001 1
60 . 1 . 1 7 7 GLY H H 1 8.445 0.00 . 1 . . . . A 7 GLY H . 35001 1
61 . 1 . 1 7 7 GLY HA2 H 1 3.958 0.00 . 2 . . . . A 7 GLY HA2 . 35001 1
62 . 1 . 1 7 7 GLY HA3 H 1 3.958 0.00 . 2 . . . . A 7 GLY HA3 . 35001 1
63 . 1 . 1 7 7 GLY CA C 13 45.256 0.00 . 1 . . . . A 7 GLY CA . 35001 1
64 . 1 . 1 7 7 GLY N N 15 111.250 0.00 . 1 . . . . A 7 GLY N . 35001 1
65 . 1 . 1 8 8 ARG H H 1 8.248 0.01 . 1 . . . . A 8 ARG H . 35001 1
66 . 1 . 1 8 8 ARG HA H 1 4.302 0.00 . 1 . . . . A 8 ARG HA . 35001 1
67 . 1 . 1 8 8 ARG HB2 H 1 1.734 0.01 . . . . . . A 8 ARG HB2 . 35001 1
68 . 1 . 1 8 8 ARG HB3 H 1 1.815 0.00 . . . . . . A 8 ARG HB3 . 35001 1
69 . 1 . 1 8 8 ARG HG2 H 1 1.600 0.01 . 2 . . . . A 8 ARG HG2 . 35001 1
70 . 1 . 1 8 8 ARG HG3 H 1 1.600 0.01 . 2 . . . . A 8 ARG HG3 . 35001 1
71 . 1 . 1 8 8 ARG HD2 H 1 3.180 0.00 . 2 . . . . A 8 ARG HD2 . 35001 1
72 . 1 . 1 8 8 ARG HD3 H 1 3.180 0.00 . 2 . . . . A 8 ARG HD3 . 35001 1
73 . 1 . 1 8 8 ARG HE H 1 7.179 0.00 . 1 . . . . A 8 ARG HE . 35001 1
74 . 1 . 1 8 8 ARG CA C 13 56.122 0.00 . 1 . . . . A 8 ARG CA . 35001 1
75 . 1 . 1 8 8 ARG CB C 13 30.894 0.03 . 1 . . . . A 8 ARG CB . 35001 1
76 . 1 . 1 8 8 ARG CD C 13 43.308 0.00 . 1 . . . . A 8 ARG CD . 35001 1
77 . 1 . 1 8 8 ARG N N 15 124.381 0.00 . 1 . . . . A 8 ARG N . 35001 1
78 . 1 . 1 8 8 ARG NE N 15 84.598 0.00 . 1 . . . . A 8 ARG NE . 35001 1
79 . 1 . 1 9 9 ARG H H 1 8.519 0.00 . 1 . . . . A 9 ARG H . 35001 1
80 . 1 . 1 9 9 ARG HA H 1 4.304 0.00 . 1 . . . . A 9 ARG HA . 35001 1
81 . 1 . 1 9 9 ARG HB2 H 1 1.735 0.00 . . . . . . A 9 ARG HB2 . 35001 1
82 . 1 . 1 9 9 ARG HB3 H 1 1.815 0.00 . . . . . . A 9 ARG HB3 . 35001 1
83 . 1 . 1 9 9 ARG HG2 H 1 1.600 0.01 . 2 . . . . A 9 ARG HG2 . 35001 1
84 . 1 . 1 9 9 ARG HG3 H 1 1.600 0.01 . 2 . . . . A 9 ARG HG3 . 35001 1
85 . 1 . 1 9 9 ARG HD2 H 1 3.179 0.00 . 2 . . . . A 9 ARG HD2 . 35001 1
86 . 1 . 1 9 9 ARG HD3 H 1 3.179 0.00 . 2 . . . . A 9 ARG HD3 . 35001 1
87 . 1 . 1 9 9 ARG HE H 1 7.179 0.00 . 1 . . . . A 9 ARG HE . 35001 1
88 . 1 . 1 9 9 ARG CA C 13 56.122 0.00 . 1 . . . . A 9 ARG CA . 35001 1
89 . 1 . 1 9 9 ARG CB C 13 30.894 0.03 . 1 . . . . A 9 ARG CB . 35001 1
90 . 1 . 1 9 9 ARG CG C 13 27.155 0.00 . 1 . . . . A 9 ARG CG . 35001 1
91 . 1 . 1 9 9 ARG CD C 13 43.308 0.00 . 1 . . . . A 9 ARG CD . 35001 1
92 . 1 . 1 9 9 ARG N N 15 122.935 0.00 . 1 . . . . A 9 ARG N . 35001 1
93 . 1 . 1 9 9 ARG NE N 15 84.598 0.00 . 1 . . . . A 9 ARG NE . 35001 1
94 . 1 . 1 10 10 ASN H H 1 8.488 0.00 . 1 . . . . A 10 ASN H . 35001 1
95 . 1 . 1 10 10 ASN HA H 1 4.647 0.00 . 1 . . . . A 10 ASN HA . 35001 1
96 . 1 . 1 10 10 ASN HB2 H 1 2.733 0.03 . . . . . . A 10 ASN HB2 . 35001 1
97 . 1 . 1 10 10 ASN HB3 H 1 2.778 0.03 . . . . . . A 10 ASN HB3 . 35001 1
98 . 1 . 1 10 10 ASN HD21 H 1 7.618 0.00 . . . . . . A 10 ASN HD21 . 35001 1
99 . 1 . 1 10 10 ASN HD22 H 1 6.917 0.00 . . . . . . A 10 ASN HD22 . 35001 1
100 . 1 . 1 10 10 ASN CA C 13 53.191 0.00 . 1 . . . . A 10 ASN CA . 35001 1
101 . 1 . 1 10 10 ASN CB C 13 38.983 0.02 . 1 . . . . A 10 ASN CB . 35001 1
102 . 1 . 1 10 10 ASN N N 15 120.234 0.00 . 1 . . . . A 10 ASN N . 35001 1
103 . 1 . 1 10 10 ASN ND2 N 15 113.002 0.00 . 1 . . . . A 10 ASN ND2 . 35001 1
104 . 1 . 1 11 11 ALA H H 1 8.251 0.00 . 1 . . . . A 11 ALA H . 35001 1
105 . 1 . 1 11 11 ALA HA H 1 4.296 0.00 . 1 . . . . A 11 ALA HA . 35001 1
106 . 1 . 1 11 11 ALA HB1 H 1 1.333 0.00 . 1 . . . . A 11 ALA HB1 . 35001 1
107 . 1 . 1 11 11 ALA HB2 H 1 1.333 0.00 . 1 . . . . A 11 ALA HB2 . 35001 1
108 . 1 . 1 11 11 ALA HB3 H 1 1.333 0.00 . 1 . . . . A 11 ALA HB3 . 35001 1
109 . 1 . 1 11 11 ALA CA C 13 52.219 0.00 . 1 . . . . A 11 ALA CA . 35001 1
110 . 1 . 1 11 11 ALA CB C 13 19.414 0.00 . 1 . . . . A 11 ALA CB . 35001 1
111 . 1 . 1 11 11 ALA N N 15 120.940 0.00 . 1 . . . . A 11 ALA N . 35001 1
112 . 1 . 1 12 12 LEU H H 1 8.244 0.00 . 1 . . . . A 12 LEU H . 35001 1
113 . 1 . 1 12 12 LEU HA H 1 4.579 0.00 . 1 . . . . A 12 LEU HA . 35001 1
114 . 1 . 1 12 12 LEU HB2 H 1 1.554 0.01 . 2 . . . . A 12 LEU HB2 . 35001 1
115 . 1 . 1 12 12 LEU HB3 H 1 1.554 0.01 . 2 . . . . A 12 LEU HB3 . 35001 1
116 . 1 . 1 12 12 LEU HG H 1 1.732 0.16 . 1 . . . . A 12 LEU HG . 35001 1
117 . 1 . 1 12 12 LEU HD11 H 1 0.899 0.00 . 2 . . . . A 12 LEU HD11 . 35001 1
118 . 1 . 1 12 12 LEU HD12 H 1 0.899 0.00 . 2 . . . . A 12 LEU HD12 . 35001 1
119 . 1 . 1 12 12 LEU HD13 H 1 0.899 0.00 . 2 . . . . A 12 LEU HD13 . 35001 1
120 . 1 . 1 12 12 LEU HD21 H 1 0.899 0.00 . 2 . . . . A 12 LEU HD21 . 35001 1
121 . 1 . 1 12 12 LEU HD22 H 1 0.899 0.00 . 2 . . . . A 12 LEU HD22 . 35001 1
122 . 1 . 1 12 12 LEU HD23 H 1 0.899 0.00 . 2 . . . . A 12 LEU HD23 . 35001 1
123 . 1 . 1 12 12 LEU CA C 13 53.057 0.00 . 1 . . . . A 12 LEU CA . 35001 1
124 . 1 . 1 12 12 LEU CB C 13 41.608 0.00 . 1 . . . . A 12 LEU CB . 35001 1
125 . 1 . 1 12 12 LEU CG C 13 23.343 0.00 . 1 . . . . A 12 LEU CG . 35001 1
126 . 1 . 1 12 12 LEU CD1 C 13 25.214 0.00 . . . . . . A 12 LEU CD1 . 35001 1
127 . 1 . 1 12 12 LEU CD2 C 13 23.302 0.00 . . . . . . A 12 LEU CD2 . 35001 1
128 . 1 . 1 12 12 LEU N N 15 123.16 . . 1 . . . . A 12 LEU N . 35001 1
129 . 1 . 1 13 13 PRO HA H 1 4.673 0.00 . 1 . . . . A 13 PRO HA . 35001 1
130 . 1 . 1 13 13 PRO HB2 H 1 2.338 0.00 . . . . . . A 13 PRO HB2 . 35001 1
131 . 1 . 1 13 13 PRO HB3 H 1 1.902 0.01 . . . . . . A 13 PRO HB3 . 35001 1
132 . 1 . 1 13 13 PRO HG2 H 1 2.018 0.00 . . . . . . A 13 PRO HG2 . 35001 1
133 . 1 . 1 13 13 PRO HD2 H 1 3.841 0.00 . . . . . . A 13 PRO HD2 . 35001 1
134 . 1 . 1 13 13 PRO HD3 H 1 3.610 0.00 . . . . . . A 13 PRO HD3 . 35001 1
135 . 1 . 1 13 13 PRO CA C 13 61.452 0.00 . 1 . . . . A 13 PRO CA . 35001 1
136 . 1 . 1 13 13 PRO CB C 13 30.830 0.00 . 1 . . . . A 13 PRO CB . 35001 1
137 . 1 . 1 13 13 PRO CG C 13 27.453 0.00 . 1 . . . . A 13 PRO CG . 35001 1
138 . 1 . 1 13 13 PRO CD C 13 50.456 0.03 . 1 . . . . A 13 PRO CD . 35001 1
139 . 1 . 1 14 14 PRO HA H 1 4.403 0.01 . 1 . . . . A 14 PRO HA . 35001 1
140 . 1 . 1 14 14 PRO HB2 H 1 2.281 0.00 . . . . . . A 14 PRO HB2 . 35001 1
141 . 1 . 1 14 14 PRO HB3 H 1 1.899 0.01 . . . . . . A 14 PRO HB3 . 35001 1
142 . 1 . 1 14 14 PRO HG2 H 1 2.014 0.00 . . . . . . A 14 PRO HG2 . 35001 1
143 . 1 . 1 14 14 PRO HD2 H 1 3.786 0.00 . . . . . . A 14 PRO HD2 . 35001 1
144 . 1 . 1 14 14 PRO HD3 H 1 3.629 0.01 . . . . . . A 14 PRO HD3 . 35001 1
145 . 1 . 1 14 14 PRO CA C 13 63.096 0.00 . 1 . . . . A 14 PRO CA . 35001 1
146 . 1 . 1 14 14 PRO CB C 13 31.985 0.09 . 1 . . . . A 14 PRO CB . 35001 1
147 . 1 . 1 14 14 PRO CG C 13 27.453 0.00 . 1 . . . . A 14 PRO CG . 35001 1
148 . 1 . 1 14 14 PRO CD C 13 50.410 0.02 . 1 . . . . A 14 PRO CD . 35001 1
149 . 1 . 1 15 15 GLU H H 1 8.505 0.00 . 1 . . . . A 15 GLU H . 35001 1
150 . 1 . 1 15 15 GLU HA H 1 4.332 0.01 . 1 . . . . A 15 GLU HA . 35001 1
151 . 1 . 1 15 15 GLU HB2 H 1 1.982 0.00 . . . . . . A 15 GLU HB2 . 35001 1
152 . 1 . 1 15 15 GLU HB3 H 1 2.097 0.01 . . . . . . A 15 GLU HB3 . 35001 1
153 . 1 . 1 15 15 GLU HG2 H 1 2.475 0.00 . 2 . . . . A 15 GLU HG2 . 35001 1
154 . 1 . 1 15 15 GLU HG3 H 1 2.475 0.00 . 2 . . . . A 15 GLU HG3 . 35001 1
155 . 1 . 1 15 15 GLU CA C 13 56.122 0.00 . 1 . . . . A 15 GLU CA . 35001 1
156 . 1 . 1 15 15 GLU CB C 13 29.136 0.06 . 1 . . . . A 15 GLU CB . 35001 1
157 . 1 . 1 15 15 GLU CG C 13 33.312 0.00 . 1 . . . . A 15 GLU CG . 35001 1
158 . 1 . 1 15 15 GLU N N 15 120.565 0.00 . 1 . . . . A 15 GLU N . 35001 1
159 . 1 . 1 16 16 SER H H 1 8.360 0.00 . 1 . . . . A 16 SER H . 35001 1
160 . 1 . 1 16 16 SER HA H 1 4.433 0.01 . 1 . . . . A 16 SER HA . 35001 1
161 . 1 . 1 16 16 SER HB3 H 1 3.841 0.01 . . . . . . A 16 SER HB3 . 35001 1
162 . 1 . 1 16 16 SER CA C 13 58.407 0.00 . 1 . . . . A 16 SER CA . 35001 1
163 . 1 . 1 16 16 SER CB C 13 63.825 0.00 . 1 . . . . A 16 SER CB . 35001 1
164 . 1 . 1 16 16 SER N N 15 116.886 0.00 . 1 . . . . A 16 SER N . 35001 1
165 . 1 . 1 17 17 SER H H 1 8.334 0.00 . 1 . . . . A 17 SER H . 35001 1
166 . 1 . 1 17 17 SER HA H 1 4.432 0.00 . 1 . . . . A 17 SER HA . 35001 1
167 . 1 . 1 17 17 SER HB3 H 1 3.839 0.01 . . . . . . A 17 SER HB3 . 35001 1
168 . 1 . 1 17 17 SER CA C 13 58.407 0.00 . 1 . . . . A 17 SER CA . 35001 1
169 . 1 . 1 17 17 SER CB C 13 63.825 0.00 . 1 . . . . A 17 SER CB . 35001 1
170 . 1 . 1 17 17 SER N N 15 117.577 0.00 . 1 . . . . A 17 SER N . 35001 1
171 . 1 . 1 18 18 HIS H H 1 8.422 0.00 . 1 . . . . A 18 HIS H . 35001 1
172 . 1 . 1 18 18 HIS HA H 1 4.722 0.00 . 1 . . . . A 18 HIS HA . 35001 1
173 . 1 . 1 18 18 HIS HB2 H 1 3.265 0.04 . . . . . . A 18 HIS HB2 . 35001 1
174 . 1 . 1 18 18 HIS HB3 H 1 3.208 0.03 . . . . . . A 18 HIS HB3 . 35001 1
175 . 1 . 1 18 18 HIS HD2 H 1 7.287 0.00 . 1 . . . . A 18 HIS HD2 . 35001 1
176 . 1 . 1 18 18 HIS HE1 H 1 8.559 0.00 . 1 . . . . A 18 HIS HE1 . 35001 1
177 . 1 . 1 18 18 HIS CA C 13 55.269 0.00 . 1 . . . . A 18 HIS CA . 35001 1
178 . 1 . 1 18 18 HIS CB C 13 29.252 0.01 . 1 . . . . A 18 HIS CB . 35001 1
179 . 1 . 1 18 18 HIS CD2 C 13 120.245 0.00 . 1 . . . . A 18 HIS CD2 . 35001 1
180 . 1 . 1 18 18 HIS CE1 C 13 135.873 0.00 . 1 . . . . A 18 HIS CE1 . 35001 1
181 . 1 . 1 18 18 HIS N N 15 120.033 0.00 . 1 . . . . A 18 HIS N . 35001 1
182 . 1 . 1 19 19 GLU H H 1 8.327 0.00 . 1 . . . . A 19 GLU H . 35001 1
183 . 1 . 1 19 19 GLU HA H 1 4.277 0.01 . 1 . . . . A 19 GLU HA . 35001 1
184 . 1 . 1 19 19 GLU HB2 H 1 1.927 0.01 . . . . . . A 19 GLU HB2 . 35001 1
185 . 1 . 1 19 19 GLU HB3 H 1 2.142 0.01 . . . . . . A 19 GLU HB3 . 35001 1
186 . 1 . 1 19 19 GLU HG2 H 1 2.410 0.00 . 2 . . . . A 19 GLU HG2 . 35001 1
187 . 1 . 1 19 19 GLU HG3 H 1 2.410 0.00 . 2 . . . . A 19 GLU HG3 . 35001 1
188 . 1 . 1 19 19 GLU CA C 13 56.122 0.00 . 1 . . . . A 19 GLU CA . 35001 1
189 . 1 . 1 19 19 GLU CB C 13 29.201 0.00 . 1 . . . . A 19 GLU CB . 35001 1
190 . 1 . 1 19 19 GLU CG C 13 33.431 0.00 . 1 . . . . A 19 GLU CG . 35001 1
191 . 1 . 1 19 19 GLU N N 15 125.112 0.00 . 1 . . . . A 19 GLU N . 35001 1
stop_
save_