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 34031
_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 $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.02
_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
1 '2D 1H-1H NOESY' . . isotropic 34031 1
2 '2D 1H-1H NOESY' . . isotropic 34031 1
3 '2D 1H-1H TOCSY' . . isotropic 34031 1
4 '2D 1H-15N HSQC' . . isotropic 34031 1
5 '2D 1H-13C HSQC' . . isotropic 34031 1
6 '2D 1H-1H NOESY' . . isotropic 34031 1
7 '2D 1H-1H NOESY' . . isotropic 34031 1
8 '2D 1H-1H NOESY' . . isotropic 34031 1
9 '2D DQF-COSY' . . isotropic 34031 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 1 1 ACE H1 H 1 2.095 0.001 . 1 . . . A 0 ACE H1 . 34031 1
2 . 1 1 1 1 ACE H2 H 1 2.095 0.001 . 1 . . . A 0 ACE H2 . 34031 1
3 . 1 1 1 1 ACE H3 H 1 2.095 0.001 . 1 . . . A 0 ACE H3 . 34031 1
4 . 1 1 1 1 ACE CH3 H 1 26.026 0.000 . 1 . . . A 0 ACE CH3 . 34031 1
5 . 1 1 2 2 PRO HA H 1 3.396 0.003 . 1 . . . A 1 PRO HA . 34031 1
6 . 1 1 2 2 PRO HB2 H 1 1.889 0.000 . 2 . . . A 1 PRO HB2 . 34031 1
7 . 1 1 2 2 PRO HB3 H 1 1.708 0.000 . 2 . . . A 1 PRO HB3 . 34031 1
8 . 1 1 2 2 PRO HG2 H 1 1.935 0.006 . 2 . . . A 1 PRO HG2 . 34031 1
9 . 1 1 2 2 PRO HG3 H 1 1.880 0.005 . 2 . . . A 1 PRO HG3 . 34031 1
10 . 1 1 2 2 PRO HD2 H 1 3.568 0.003 . 2 . . . A 1 PRO HD2 . 34031 1
11 . 1 1 2 2 PRO HD3 H 1 3.504 0.003 . 2 . . . A 1 PRO HD3 . 34031 1
12 . 1 1 2 2 PRO CA C 13 62.422 0.000 . 1 . . . A 1 PRO CA . 34031 1
13 . 1 1 2 2 PRO CD C 13 53.212 0.007 . 1 . . . A 1 PRO CD . 34031 1
14 . 1 1 3 3 PRO HA H 1 4.538 0.002 . 1 . . . A 2 PRO HA . 34031 1
15 . 1 1 3 3 PRO HB2 H 1 2.365 0.000 . 2 . . . A 2 PRO HB2 . 34031 1
16 . 1 1 3 3 PRO HB3 H 1 2.101 0.000 . 2 . . . A 2 PRO HB3 . 34031 1
17 . 1 1 3 3 PRO HG2 H 1 1.725 0.000 . 2 . . . A 2 PRO HG2 . 34031 1
18 . 1 1 3 3 PRO HG3 H 1 1.638 0.002 . 2 . . . A 2 PRO HG3 . 34031 1
19 . 1 1 3 3 PRO HD2 H 1 3.216 0.002 . 2 . . . A 2 PRO HD2 . 34031 1
20 . 1 1 3 3 PRO HD3 H 1 3.166 0.002 . 2 . . . A 2 PRO HD3 . 34031 1
21 . 1 1 4 4 THR H H 1 8.869 0.001 . 1 . . . A 3 THR H . 34031 1
22 . 1 1 4 4 THR HA H 1 4.279 0.004 . 1 . . . A 3 THR HA . 34031 1
23 . 1 1 4 4 THR HB H 1 3.926 0.001 . 1 . . . A 3 THR HB . 34031 1
24 . 1 1 4 4 THR HG21 H 1 1.132 0.002 . 1 . . . A 3 THR HG21 . 34031 1
25 . 1 1 4 4 THR HG22 H 1 1.132 0.002 . 1 . . . A 3 THR HG22 . 34031 1
26 . 1 1 4 4 THR HG23 H 1 1.132 0.002 . 1 . . . A 3 THR HG23 . 34031 1
27 . 1 1 4 4 THR CA C 13 63.880 0.000 . 1 . . . A 3 THR CA . 34031 1
28 . 1 1 4 4 THR CB C 13 71.911 0.000 . 1 . . . A 3 THR CB . 34031 1
29 . 1 1 4 4 THR CG2 C 13 23.571 0.000 . 1 . . . A 3 THR CG2 . 34031 1
30 . 1 1 4 4 THR N N 15 116.483 0.000 . 1 . . . A 3 THR N . 34031 1
31 . 1 1 5 5 LYS H H 1 8.782 0.002 . 1 . . . A 4 LYS H . 34031 1
32 . 1 1 5 5 LYS HA H 1 3.074 0.004 . 1 . . . A 4 LYS HA . 34031 1
33 . 1 1 5 5 LYS HB2 H 1 1.461 0.000 . 2 . . . A 4 LYS HB2 . 34031 1
34 . 1 1 5 5 LYS HB3 H 1 1.264 0.000 . 2 . . . A 4 LYS HB3 . 34031 1
35 . 1 1 5 5 LYS HG2 H 1 1.215 0.001 . 2 . . . A 4 LYS HG2 . 34031 1
36 . 1 1 5 5 LYS HG3 H 1 1.550 0.000 . 2 . . . A 4 LYS HG3 . 34031 1
37 . 1 1 5 5 LYS HD2 H 1 0.711 0.006 . 2 . . . A 4 LYS HD2 . 34031 1
38 . 1 1 5 5 LYS HD3 H 1 1.269 0.006 . 2 . . . A 4 LYS HD3 . 34031 1
39 . 1 1 5 5 LYS HE2 H 1 2.972 0.000 . 1 . . . A 4 LYS HE2 . 34031 1
40 . 1 1 5 5 LYS HE3 H 1 2.972 0.000 . 1 . . . A 4 LYS HE3 . 34031 1
41 . 1 1 5 5 LYS CA C 13 56.565 0.000 . 1 . . . A 4 LYS CA . 34031 1
42 . 1 1 5 5 LYS CD C 13 26.452 0.000 . 1 . . . A 4 LYS CD . 34031 1
43 . 1 1 5 5 LYS N N 15 129.223 0.000 . 1 . . . A 4 LYS N . 34031 1
44 . 1 1 6 6 PRO HA H 1 4.511 0.001 . 1 . . . A 5 PRO HA . 34031 1
45 . 1 1 6 6 PRO HB2 H 1 2.400 0.000 . 2 . . . A 5 PRO HB2 . 34031 1
46 . 1 1 6 6 PRO HB3 H 1 2.036 0.000 . 2 . . . A 5 PRO HB3 . 34031 1
47 . 1 1 6 6 PRO HG2 H 1 1.718 0.000 . 2 . . . A 5 PRO HG2 . 34031 1
48 . 1 1 6 6 PRO HG3 H 1 1.596 0.000 . 2 . . . A 5 PRO HG3 . 34031 1
49 . 1 1 6 6 PRO HD2 H 1 3.072 0.003 . 2 . . . A 5 PRO HD2 . 34031 1
50 . 1 1 6 6 PRO HD3 H 1 3.470 0.005 . 2 . . . A 5 PRO HD3 . 34031 1
51 . 1 1 6 6 PRO CD C 13 52.338 0.000 . 1 . . . A 5 PRO CD . 34031 1
52 . 1 1 7 7 THR H H 1 8.802 0.001 . 1 . . . A 6 THR H . 34031 1
53 . 1 1 7 7 THR HA H 1 4.126 0.005 . 1 . . . A 6 THR HA . 34031 1
54 . 1 1 7 7 THR HB H 1 3.936 0.002 . 1 . . . A 6 THR HB . 34031 1
55 . 1 1 7 7 THR HG21 H 1 1.177 0.003 . 1 . . . A 6 THR HG21 . 34031 1
56 . 1 1 7 7 THR HG22 H 1 1.177 0.003 . 1 . . . A 6 THR HG22 . 34031 1
57 . 1 1 7 7 THR HG23 H 1 1.177 0.003 . 1 . . . A 6 THR HG23 . 34031 1
58 . 1 1 7 7 THR CA C 13 64.357 0.000 . 1 . . . A 6 THR CA . 34031 1
59 . 1 1 7 7 THR CG2 C 13 23.766 0.000 . 1 . . . A 6 THR CG2 . 34031 1
60 . 1 1 7 7 THR N N 15 117.999 0.000 . 1 . . . A 6 THR N . 34031 1
61 . 1 1 8 8 LYS H H 1 8.727 0.001 . 1 . . . A 7 LYS H . 34031 1
62 . 1 1 8 8 LYS HA H 1 3.476 0.004 . 1 . . . A 7 LYS HA . 34031 1
63 . 1 1 8 8 LYS HB2 H 1 1.520 0.003 . 2 . . . A 7 LYS HB2 . 34031 1
64 . 1 1 8 8 LYS HB3 H 1 1.583 0.008 . 2 . . . A 7 LYS HB3 . 34031 1
65 . 1 1 8 8 LYS HG2 H 1 1.340 0.002 . 2 . . . A 7 LYS HG2 . 34031 1
66 . 1 1 8 8 LYS HG3 H 1 1.018 0.004 . 2 . . . A 7 LYS HG3 . 34031 1
67 . 1 1 8 8 LYS HD2 H 1 1.569 0.000 . 1 . . . A 7 LYS HD2 . 34031 1
68 . 1 1 8 8 LYS HD3 H 1 1.569 0.000 . 1 . . . A 7 LYS HD3 . 34031 1
69 . 1 1 8 8 LYS HE2 H 1 2.946 0.001 . 2 . . . A 7 LYS HE2 . 34031 1
70 . 1 1 8 8 LYS HE3 H 1 2.810 0.000 . 2 . . . A 7 LYS HE3 . 34031 1
71 . 1 1 8 8 LYS CA C 13 56.994 0.000 . 1 . . . A 7 LYS CA . 34031 1
72 . 1 1 8 8 LYS N N 15 128.051 0.000 . 1 . . . A 7 LYS N . 34031 1
73 . 1 1 9 9 PRO HA H 1 4.363 0.004 . 1 . . . A 8 PRO HA . 34031 1
74 . 1 1 9 9 PRO HB2 H 1 2.163 0.002 . 2 . . . A 8 PRO HB2 . 34031 1
75 . 1 1 9 9 PRO HB3 H 1 1.782 0.005 . 2 . . . A 8 PRO HB3 . 34031 1
76 . 1 1 9 9 PRO HG2 H 1 1.692 0.001 . 2 . . . A 8 PRO HG2 . 34031 1
77 . 1 1 9 9 PRO HG3 H 1 1.694 0.000 . 2 . . . A 8 PRO HG3 . 34031 1
78 . 1 1 9 9 PRO HD2 H 1 3.050 0.006 . 2 . . . A 8 PRO HD2 . 34031 1
79 . 1 1 9 9 PRO HD3 H 1 2.810 0.003 . 2 . . . A 8 PRO HD3 . 34031 1
80 . 1 1 9 9 PRO CA C 13 64.618 0.000 . 1 . . . A 8 PRO CA . 34031 1
81 . 1 1 9 9 PRO CD C 13 52.290 0.013 . 1 . . . A 8 PRO CD . 34031 1
82 . 1 1 10 10 GLY H H 1 8.372 0.002 . 1 . . . A 9 GLY H . 34031 1
83 . 1 1 10 10 GLY HA2 H 1 4.036 0.011 . 2 . . . A 9 GLY HA2 . 34031 1
84 . 1 1 10 10 GLY HA3 H 1 3.867 0.011 . 2 . . . A 9 GLY HA3 . 34031 1
85 . 1 1 10 10 GLY CA C 13 46.268 0.022 . 1 . . . A 9 GLY CA . 34031 1
86 . 1 1 10 10 GLY N N 15 106.627 0.000 . 1 . . . A 9 GLY N . 34031 1
87 . 1 1 11 11 ASP H H 1 8.543 0.002 . 1 . . . A 10 ASP H . 34031 1
88 . 1 1 11 11 ASP HA H 1 4.337 0.005 . 1 . . . A 10 ASP HA . 34031 1
89 . 1 1 11 11 ASP HB2 H 1 2.603 0.000 . 2 . . . A 10 ASP HB2 . 34031 1
90 . 1 1 11 11 ASP HB3 H 1 2.527 0.000 . 2 . . . A 10 ASP HB3 . 34031 1
91 . 1 1 11 11 ASP CA C 13 58.105 0.000 . 1 . . . A 10 ASP CA . 34031 1
92 . 1 1 11 11 ASP N N 15 117.579 0.000 . 1 . . . A 10 ASP N . 34031 1
93 . 1 1 12 12 ASN H H 1 8.642 0.002 . 1 . . . A 11 ASN H . 34031 1
94 . 1 1 12 12 ASN HA H 1 4.677 0.004 . 1 . . . A 11 ASN HA . 34031 1
95 . 1 1 12 12 ASN HB2 H 1 2.860 0.001 . 1 . . . A 11 ASN HB2 . 34031 1
96 . 1 1 12 12 ASN HB3 H 1 2.860 0.001 . 1 . . . A 11 ASN HB3 . 34031 1
97 . 1 1 12 12 ASN HD21 H 1 7.729 0.002 . 1 . . . A 11 ASN HD21 . 34031 1
98 . 1 1 12 12 ASN HD22 H 1 7.027 0.003 . 1 . . . A 11 ASN HD22 . 34031 1
99 . 1 1 12 12 ASN CA C 13 54.784 0.000 . 1 . . . A 11 ASN CA . 34031 1
100 . 1 1 12 12 ASN N N 15 114.637 0.000 . 1 . . . A 11 ASN N . 34031 1
101 . 1 1 12 12 ASN ND2 N 15 112.004 0.003 . 1 . . . A 11 ASN ND2 . 34031 1
102 . 1 1 13 13 ALA H H 1 7.437 0.002 . 1 . . . A 12 ALA H . 34031 1
103 . 1 1 13 13 ALA HA H 1 4.297 0.004 . 1 . . . A 12 ALA HA . 34031 1
104 . 1 1 13 13 ALA HB1 H 1 1.397 0.003 . 1 . . . A 12 ALA HB1 . 34031 1
105 . 1 1 13 13 ALA HB2 H 1 1.397 0.003 . 1 . . . A 12 ALA HB2 . 34031 1
106 . 1 1 13 13 ALA HB3 H 1 1.397 0.003 . 1 . . . A 12 ALA HB3 . 34031 1
107 . 1 1 13 13 ALA CA C 13 54.501 0.000 . 1 . . . A 12 ALA CA . 34031 1
108 . 1 1 13 13 ALA CB C 13 21.949 0.000 . 1 . . . A 12 ALA CB . 34031 1
109 . 1 1 13 13 ALA N N 15 120.776 0.000 . 1 . . . A 12 ALA N . 34031 1
110 . 1 1 14 14 THR H H 1 7.735 0.002 . 1 . . . A 13 THR H . 34031 1
111 . 1 1 14 14 THR HA H 1 4.572 0.003 . 1 . . . A 13 THR HA . 34031 1
112 . 1 1 14 14 THR HB H 1 4.830 0.003 . 1 . . . A 13 THR HB . 34031 1
113 . 1 1 14 14 THR HG21 H 1 1.454 0.002 . 1 . . . A 13 THR HG21 . 34031 1
114 . 1 1 14 14 THR HG22 H 1 1.454 0.002 . 1 . . . A 13 THR HG22 . 34031 1
115 . 1 1 14 14 THR HG23 H 1 1.454 0.002 . 1 . . . A 13 THR HG23 . 34031 1
116 . 1 1 14 14 THR CB C 13 70.310 0.000 . 1 . . . A 13 THR CB . 34031 1
117 . 1 1 14 14 THR CG2 C 13 24.583 0.000 . 1 . . . A 13 THR CG2 . 34031 1
118 . 1 1 14 14 THR N N 15 110.025 0.000 . 1 . . . A 13 THR N . 34031 1
119 . 1 1 15 15 PRO HA H 1 4.248 0.003 . 1 . . . A 14 PRO HA . 34031 1
120 . 1 1 15 15 PRO HB2 H 1 2.089 0.002 . 2 . . . A 14 PRO HB2 . 34031 1
121 . 1 1 15 15 PRO HB3 H 1 1.974 0.001 . 2 . . . A 14 PRO HB3 . 34031 1
122 . 1 1 15 15 PRO HG2 H 1 2.260 0.004 . 2 . . . A 14 PRO HG2 . 34031 1
123 . 1 1 15 15 PRO HG3 H 1 2.430 0.002 . 2 . . . A 14 PRO HG3 . 34031 1
124 . 1 1 15 15 PRO HD2 H 1 3.984 0.002 . 2 . . . A 14 PRO HD2 . 34031 1
125 . 1 1 15 15 PRO HD3 H 1 3.924 0.006 . 2 . . . A 14 PRO HD3 . 34031 1
126 . 1 1 15 15 PRO CA C 13 67.781 0.000 . 1 . . . A 14 PRO CA . 34031 1
127 . 1 1 15 15 PRO CD C 13 52.411 0.042 . 1 . . . A 14 PRO CD . 34031 1
128 . 1 1 16 16 GLU H H 1 9.072 0.002 . 1 . . . A 15 GLU H . 34031 1
129 . 1 1 16 16 GLU HA H 1 4.162 0.002 . 1 . . . A 15 GLU HA . 34031 1
130 . 1 1 16 16 GLU HB2 H 1 2.137 0.004 . 2 . . . A 15 GLU HB2 . 34031 1
131 . 1 1 16 16 GLU HB3 H 1 1.970 0.002 . 2 . . . A 15 GLU HB3 . 34031 1
132 . 1 1 16 16 GLU HG2 H 1 2.399 0.002 . 2 . . . A 15 GLU HG2 . 34031 1
133 . 1 1 16 16 GLU HG3 H 1 2.330 0.004 . 2 . . . A 15 GLU HG3 . 34031 1
134 . 1 1 16 16 GLU CG C 13 38.623 0.005 . 1 . . . A 15 GLU CG . 34031 1
135 . 1 1 16 16 GLU N N 15 116.535 0.000 . 1 . . . A 15 GLU N . 34031 1
136 . 1 1 17 17 LYS H H 1 7.868 0.002 . 1 . . . A 16 LYS H . 34031 1
137 . 1 1 17 17 LYS HA H 1 4.175 0.000 . 1 . . . A 16 LYS HA . 34031 1
138 . 1 1 17 17 LYS HB2 H 1 2.069 0.000 . 2 . . . A 16 LYS HB2 . 34031 1
139 . 1 1 17 17 LYS HB3 H 1 1.832 0.000 . 2 . . . A 16 LYS HB3 . 34031 1
140 . 1 1 17 17 LYS N N 15 120.854 0.000 . 1 . . . A 16 LYS N . 34031 1
141 . 1 1 18 18 LEU H H 1 8.415 0.003 . 1 . . . A 17 LEU H . 34031 1
142 . 1 1 18 18 LEU HA H 1 4.145 0.006 . 1 . . . A 17 LEU HA . 34031 1
143 . 1 1 18 18 LEU HB2 H 1 1.872 0.000 . 2 . . . A 17 LEU HB2 . 34031 1
144 . 1 1 18 18 LEU HB3 H 1 1.647 0.000 . 2 . . . A 17 LEU HB3 . 34031 1
145 . 1 1 18 18 LEU HD11 H 1 0.865 0.001 . 2 . . . A 17 LEU HD11 . 34031 1
146 . 1 1 18 18 LEU HD12 H 1 0.865 0.001 . 2 . . . A 17 LEU HD12 . 34031 1
147 . 1 1 18 18 LEU HD13 H 1 0.865 0.001 . 2 . . . A 17 LEU HD13 . 34031 1
148 . 1 1 18 18 LEU HD21 H 1 0.889 0.003 . 2 . . . A 17 LEU HD21 . 34031 1
149 . 1 1 18 18 LEU HD22 H 1 0.889 0.003 . 2 . . . A 17 LEU HD22 . 34031 1
150 . 1 1 18 18 LEU HD23 H 1 0.889 0.003 . 2 . . . A 17 LEU HD23 . 34031 1
151 . 1 1 18 18 LEU N N 15 120.506 0.000 . 1 . . . A 17 LEU N . 34031 1
152 . 1 1 19 19 ALA H H 1 8.421 0.001 . 1 . . . A 18 ALA H . 34031 1
153 . 1 1 19 19 ALA HA H 1 4.250 0.001 . 1 . . . A 18 ALA HA . 34031 1
154 . 1 1 19 19 ALA HB1 H 1 1.515 0.000 . 1 . . . A 18 ALA HB1 . 34031 1
155 . 1 1 19 19 ALA HB2 H 1 1.515 0.000 . 1 . . . A 18 ALA HB2 . 34031 1
156 . 1 1 19 19 ALA HB3 H 1 1.515 0.000 . 1 . . . A 18 ALA HB3 . 34031 1
157 . 1 1 19 19 ALA N N 15 121.147 0.000 . 1 . . . A 18 ALA N . 34031 1
158 . 1 1 20 20 LYS H H 1 8.015 0.002 . 1 . . . A 19 LYS H . 34031 1
159 . 1 1 20 20 LYS HA H 1 4.208 0.000 . 1 . . . A 19 LYS HA . 34031 1
160 . 1 1 20 20 LYS HB2 H 1 2.024 0.001 . 2 . . . A 19 LYS HB2 . 34031 1
161 . 1 1 20 20 LYS HB3 H 1 1.967 0.001 . 2 . . . A 19 LYS HB3 . 34031 1
162 . 1 1 20 20 LYS N N 15 119.801 0.000 . 1 . . . A 19 LYS N . 34031 1
163 . 1 1 21 21 TYR H H 1 7.948 0.002 . 1 . . . A 20 TYR H . 34031 1
164 . 1 1 21 21 TYR HA H 1 4.563 0.001 . 1 . . . A 20 TYR HA . 34031 1
165 . 1 1 21 21 TYR HB2 H 1 3.132 0.001 . 2 . . . A 20 TYR HB2 . 34031 1
166 . 1 1 21 21 TYR HB3 H 1 3.221 0.001 . 2 . . . A 20 TYR HB3 . 34031 1
167 . 1 1 21 21 TYR HD1 H 1 7.157 0.001 . 1 . . . A 20 TYR HD1 . 34031 1
168 . 1 1 21 21 TYR HD2 H 1 7.157 0.001 . 1 . . . A 20 TYR HD2 . 34031 1
169 . 1 1 21 21 TYR HE1 H 1 6.813 0.000 . 1 . . . A 20 TYR HE1 . 34031 1
170 . 1 1 21 21 TYR HE2 H 1 6.813 0.000 . 1 . . . A 20 TYR HE2 . 34031 1
171 . 1 1 21 21 TYR CA C 13 61.731 0.000 . 1 . . . A 20 TYR CA . 34031 1
172 . 1 1 21 21 TYR CD1 C 13 135.299 0.000 . 1 . . . A 20 TYR CD1 . 34031 1
173 . 1 1 21 21 TYR CD2 C 13 135.299 0.000 . 1 . . . A 20 TYR CD2 . 34031 1
174 . 1 1 21 21 TYR CE1 C 13 120.231 0.000 . 1 . . . A 20 TYR CE1 . 34031 1
175 . 1 1 21 21 TYR CE2 C 13 120.231 0.000 . 1 . . . A 20 TYR CE2 . 34031 1
176 . 1 1 21 21 TYR N N 15 117.805 0.000 . 1 . . . A 20 TYR N . 34031 1
177 . 1 1 22 22 GLN H H 1 8.105 0.002 . 1 . . . A 21 GLN H . 34031 1
178 . 1 1 22 22 GLN HA H 1 3.670 0.004 . 1 . . . A 21 GLN HA . 34031 1
179 . 1 1 22 22 GLN HB2 H 1 2.204 0.001 . 2 . . . A 21 GLN HB2 . 34031 1
180 . 1 1 22 22 GLN HB3 H 1 2.167 0.000 . 2 . . . A 21 GLN HB3 . 34031 1
181 . 1 1 22 22 GLN HG2 H 1 2.621 0.003 . 1 . . . A 21 GLN HG2 . 34031 1
182 . 1 1 22 22 GLN HG3 H 1 2.621 0.003 . 1 . . . A 21 GLN HG3 . 34031 1
183 . 1 1 22 22 GLN HE21 H 1 7.749 0.001 . 1 . . . A 21 GLN HE21 . 34031 1
184 . 1 1 22 22 GLN HE22 H 1 7.096 0.000 . 1 . . . A 21 GLN HE22 . 34031 1
185 . 1 1 22 22 GLN CA C 13 60.802 0.000 . 1 . . . A 21 GLN CA . 34031 1
186 . 1 1 22 22 GLN CG C 13 35.715 0.000 . 1 . . . A 21 GLN CG . 34031 1
187 . 1 1 22 22 GLN N N 15 115.182 0.000 . 1 . . . A 21 GLN N . 34031 1
188 . 1 1 22 22 GLN NE2 N 15 110.989 0.021 . 1 . . . A 21 GLN NE2 . 34031 1
189 . 1 1 23 23 ALA H H 1 7.928 0.000 . 1 . . . A 22 ALA H . 34031 1
190 . 1 1 23 23 ALA HA H 1 4.246 0.004 . 1 . . . A 22 ALA HA . 34031 1
191 . 1 1 23 23 ALA HB1 H 1 1.563 0.000 . 1 . . . A 22 ALA HB1 . 34031 1
192 . 1 1 23 23 ALA HB2 H 1 1.563 0.000 . 1 . . . A 22 ALA HB2 . 34031 1
193 . 1 1 23 23 ALA HB3 H 1 1.563 0.000 . 1 . . . A 22 ALA HB3 . 34031 1
194 . 1 1 23 23 ALA N N 15 121.988 0.000 . 1 . . . A 22 ALA N . 34031 1
195 . 1 1 24 24 ASP H H 1 9.182 0.002 . 1 . . . A 23 ASP H . 34031 1
196 . 1 1 24 24 ASP HA H 1 4.418 0.002 . 1 . . . A 23 ASP HA . 34031 1
197 . 1 1 24 24 ASP HB2 H 1 2.856 0.000 . 2 . . . A 23 ASP HB2 . 34031 1
198 . 1 1 24 24 ASP HB3 H 1 2.448 0.004 . 2 . . . A 23 ASP HB3 . 34031 1
199 . 1 1 24 24 ASP N N 15 121.151 0.000 . 1 . . . A 23 ASP N . 34031 1
200 . 1 1 25 25 LEU H H 1 9.211 0.001 . 1 . . . A 24 LEU H . 34031 1
201 . 1 1 25 25 LEU HA H 1 3.943 0.004 . 1 . . . A 24 LEU HA . 34031 1
202 . 1 1 25 25 LEU HB2 H 1 1.567 0.002 . 2 . . . A 24 LEU HB2 . 34031 1
203 . 1 1 25 25 LEU HB3 H 1 1.404 0.000 . 2 . . . A 24 LEU HB3 . 34031 1
204 . 1 1 25 25 LEU HD11 H 1 0.974 0.002 . 2 . . . A 24 LEU HD11 . 34031 1
205 . 1 1 25 25 LEU HD12 H 1 0.974 0.002 . 2 . . . A 24 LEU HD12 . 34031 1
206 . 1 1 25 25 LEU HD13 H 1 0.974 0.002 . 2 . . . A 24 LEU HD13 . 34031 1
207 . 1 1 25 25 LEU HD21 H 1 0.829 0.002 . 2 . . . A 24 LEU HD21 . 34031 1
208 . 1 1 25 25 LEU HD22 H 1 0.829 0.002 . 2 . . . A 24 LEU HD22 . 34031 1
209 . 1 1 25 25 LEU HD23 H 1 0.829 0.002 . 2 . . . A 24 LEU HD23 . 34031 1
210 . 1 1 25 25 LEU CA C 13 59.899 0.000 . 1 . . . A 24 LEU CA . 34031 1
211 . 1 1 25 25 LEU N N 15 123.853 0.000 . 1 . . . A 24 LEU N . 34031 1
212 . 1 1 26 26 ALA H H 1 7.771 0.002 . 1 . . . A 25 ALA H . 34031 1
213 . 1 1 26 26 ALA HA H 1 4.203 0.001 . 1 . . . A 25 ALA HA . 34031 1
214 . 1 1 26 26 ALA HB1 H 1 1.518 0.000 . 1 . . . A 25 ALA HB1 . 34031 1
215 . 1 1 26 26 ALA HB2 H 1 1.518 0.000 . 1 . . . A 25 ALA HB2 . 34031 1
216 . 1 1 26 26 ALA HB3 H 1 1.518 0.000 . 1 . . . A 25 ALA HB3 . 34031 1
217 . 1 1 26 26 ALA N N 15 120.513 0.000 . 1 . . . A 25 ALA N . 34031 1
218 . 1 1 27 27 LYS H H 1 7.896 0.002 . 1 . . . A 26 LYS H . 34031 1
219 . 1 1 27 27 LYS HA H 1 4.114 0.000 . 1 . . . A 26 LYS HA . 34031 1
220 . 1 1 27 27 LYS HB2 H 1 2.002 0.004 . 2 . . . A 26 LYS HB2 . 34031 1
221 . 1 1 27 27 LYS HB3 H 1 1.930 0.002 . 2 . . . A 26 LYS HB3 . 34031 1
222 . 1 1 27 27 LYS N N 15 118.682 0.000 . 1 . . . A 26 LYS N . 34031 1
223 . 1 1 28 28 TYR H H 1 8.260 0.002 . 1 . . . A 27 TYR H . 34031 1
224 . 1 1 28 28 TYR HA H 1 4.428 0.002 . 1 . . . A 27 TYR HA . 34031 1
225 . 1 1 28 28 TYR HB2 H 1 3.276 0.003 . 2 . . . A 27 TYR HB2 . 34031 1
226 . 1 1 28 28 TYR HB3 H 1 3.225 0.003 . 2 . . . A 27 TYR HB3 . 34031 1
227 . 1 1 28 28 TYR HD1 H 1 7.033 0.004 . 1 . . . A 27 TYR HD1 . 34031 1
228 . 1 1 28 28 TYR HD2 H 1 7.033 0.004 . 1 . . . A 27 TYR HD2 . 34031 1
229 . 1 1 28 28 TYR HE1 H 1 6.629 0.003 . 1 . . . A 27 TYR HE1 . 34031 1
230 . 1 1 28 28 TYR HE2 H 1 6.629 0.003 . 1 . . . A 27 TYR HE2 . 34031 1
231 . 1 1 28 28 TYR CD1 C 13 135.496 0.000 . 1 . . . A 27 TYR CD1 . 34031 1
232 . 1 1 28 28 TYR CD2 C 13 135.496 0.000 . 1 . . . A 27 TYR CD2 . 34031 1
233 . 1 1 28 28 TYR CE1 C 13 119.793 0.000 . 1 . . . A 27 TYR CE1 . 34031 1
234 . 1 1 28 28 TYR CE2 C 13 119.793 0.000 . 1 . . . A 27 TYR CE2 . 34031 1
235 . 1 1 28 28 TYR N N 15 119.014 0.000 . 1 . . . A 27 TYR N . 34031 1
236 . 1 1 29 29 GLN H H 1 8.407 0.001 . 1 . . . A 28 GLN H . 34031 1
237 . 1 1 29 29 GLN HA H 1 3.616 0.004 . 1 . . . A 28 GLN HA . 34031 1
238 . 1 1 29 29 GLN HB2 H 1 2.193 0.000 . 2 . . . A 28 GLN HB2 . 34031 1
239 . 1 1 29 29 GLN HB3 H 1 2.044 0.000 . 2 . . . A 28 GLN HB3 . 34031 1
240 . 1 1 29 29 GLN HG2 H 1 2.701 0.005 . 2 . . . A 28 GLN HG2 . 34031 1
241 . 1 1 29 29 GLN HG3 H 1 2.576 0.002 . 2 . . . A 28 GLN HG3 . 34031 1
242 . 1 1 29 29 GLN HE21 H 1 7.507 0.001 . 1 . . . A 28 GLN HE21 . 34031 1
243 . 1 1 29 29 GLN HE22 H 1 7.028 0.000 . 1 . . . A 28 GLN HE22 . 34031 1
244 . 1 1 29 29 GLN CA C 13 60.871 0.000 . 1 . . . A 28 GLN CA . 34031 1
245 . 1 1 29 29 GLN N N 15 115.373 0.000 . 1 . . . A 28 GLN N . 34031 1
246 . 1 1 29 29 GLN NE2 N 15 109.304 0.001 . 1 . . . A 28 GLN NE2 . 34031 1
247 . 1 1 30 30 LYS H H 1 7.601 0.002 . 1 . . . A 29 LYS H . 34031 1
248 . 1 1 30 30 LYS HA H 1 4.106 0.003 . 1 . . . A 29 LYS HA . 34031 1
249 . 1 1 30 30 LYS HB2 H 1 2.057 0.000 . 2 . . . A 29 LYS HB2 . 34031 1
250 . 1 1 30 30 LYS HB3 H 1 1.911 0.000 . 2 . . . A 29 LYS HB3 . 34031 1
251 . 1 1 30 30 LYS N N 15 120.365 0.000 . 1 . . . A 29 LYS N . 34031 1
252 . 1 1 31 31 ASP H H 1 8.988 0.002 . 1 . . . A 30 ASP H . 34031 1
253 . 1 1 31 31 ASP HA H 1 4.327 0.000 . 1 . . . A 30 ASP HA . 34031 1
254 . 1 1 31 31 ASP HB2 H 1 2.744 0.000 . 2 . . . A 30 ASP HB2 . 34031 1
255 . 1 1 31 31 ASP HB3 H 1 2.510 0.001 . 2 . . . A 30 ASP HB3 . 34031 1
256 . 1 1 31 31 ASP N N 15 119.696 0.000 . 1 . . . A 30 ASP N . 34031 1
257 . 1 1 32 32 LEU H H 1 8.986 0.002 . 1 . . . A 31 LEU H . 34031 1
258 . 1 1 32 32 LEU HA H 1 3.825 0.003 . 1 . . . A 31 LEU HA . 34031 1
259 . 1 1 32 32 LEU HB2 H 1 1.498 0.003 . 2 . . . A 31 LEU HB2 . 34031 1
260 . 1 1 32 32 LEU HB3 H 1 1.379 0.000 . 2 . . . A 31 LEU HB3 . 34031 1
261 . 1 1 32 32 LEU HD11 H 1 0.964 0.002 . 2 . . . A 31 LEU HD11 . 34031 1
262 . 1 1 32 32 LEU HD12 H 1 0.964 0.002 . 2 . . . A 31 LEU HD12 . 34031 1
263 . 1 1 32 32 LEU HD13 H 1 0.964 0.002 . 2 . . . A 31 LEU HD13 . 34031 1
264 . 1 1 32 32 LEU HD21 H 1 0.820 0.001 . 2 . . . A 31 LEU HD21 . 34031 1
265 . 1 1 32 32 LEU HD22 H 1 0.820 0.001 . 2 . . . A 31 LEU HD22 . 34031 1
266 . 1 1 32 32 LEU HD23 H 1 0.820 0.001 . 2 . . . A 31 LEU HD23 . 34031 1
267 . 1 1 32 32 LEU CA C 13 59.772 0.000 . 1 . . . A 31 LEU CA . 34031 1
268 . 1 1 32 32 LEU N N 15 121.186 0.000 . 1 . . . A 31 LEU N . 34031 1
269 . 1 1 33 33 ALA H H 1 7.584 0.003 . 1 . . . A 32 ALA H . 34031 1
270 . 1 1 33 33 ALA HA H 1 4.109 0.000 . 1 . . . A 32 ALA HA . 34031 1
271 . 1 1 33 33 ALA HB1 H 1 1.522 0.000 . 1 . . . A 32 ALA HB1 . 34031 1
272 . 1 1 33 33 ALA HB2 H 1 1.522 0.000 . 1 . . . A 32 ALA HB2 . 34031 1
273 . 1 1 33 33 ALA HB3 H 1 1.522 0.000 . 1 . . . A 32 ALA HB3 . 34031 1
274 . 1 1 33 33 ALA N N 15 121.270 0.000 . 1 . . . A 32 ALA N . 34031 1
275 . 1 1 34 34 ASP H H 1 8.152 0.002 . 1 . . . A 33 ASP H . 34031 1
276 . 1 1 34 34 ASP HA H 1 4.424 0.001 . 1 . . . A 33 ASP HA . 34031 1
277 . 1 1 34 34 ASP HB2 H 1 2.707 0.003 . 1 . . . A 33 ASP HB2 . 34031 1
278 . 1 1 34 34 ASP HB3 H 1 2.707 0.003 . 1 . . . A 33 ASP HB3 . 34031 1
279 . 1 1 34 34 ASP N N 15 116.230 0.000 . 1 . . . A 33 ASP N . 34031 1
280 . 1 1 35 35 TYR H H 1 7.957 0.003 . 1 . . . A 34 TYR H . 34031 1
281 . 1 1 35 35 TYR HA H 1 4.164 0.002 . 1 . . . A 34 TYR HA . 34031 1
282 . 1 1 35 35 TYR HB2 H 1 3.033 0.000 . 2 . . . A 34 TYR HB2 . 34031 1
283 . 1 1 35 35 TYR HB3 H 1 3.221 0.000 . 2 . . . A 34 TYR HB3 . 34031 1
284 . 1 1 35 35 TYR HD1 H 1 7.162 0.001 . 1 . . . A 34 TYR HD1 . 34031 1
285 . 1 1 35 35 TYR HD2 H 1 7.162 0.001 . 1 . . . A 34 TYR HD2 . 34031 1
286 . 1 1 35 35 TYR HE1 H 1 6.766 0.002 . 1 . . . A 34 TYR HE1 . 34031 1
287 . 1 1 35 35 TYR HE2 H 1 6.766 0.002 . 1 . . . A 34 TYR HE2 . 34031 1
288 . 1 1 35 35 TYR CD1 C 13 135.304 0.000 . 1 . . . A 34 TYR CD1 . 34031 1
289 . 1 1 35 35 TYR CD2 C 13 135.304 0.000 . 1 . . . A 34 TYR CD2 . 34031 1
290 . 1 1 35 35 TYR CE1 C 13 120.077 0.000 . 1 . . . A 34 TYR CE1 . 34031 1
291 . 1 1 35 35 TYR CE2 C 13 120.077 0.000 . 1 . . . A 34 TYR CE2 . 34031 1
292 . 1 1 35 35 TYR N N 15 120.249 0.000 . 1 . . . A 34 TYR N . 34031 1
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