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 34295
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_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 100ms NOESY' . . . 34295 1
2 '2D 100ms NOESY' . . . 34295 1
3 '2D 1H-1H TOCSY' . . . 34295 1
4 '2D 1H-1H TOCSY' . . . 34295 1
5 '1H-15N HSQC' . . . 34295 1
6 '2D 1H-1H 250ms NOESY' . . . 34295 1
7 '2D 1H-1H 250ms NOESY' . . . 34295 1
8 '1H-13N HSQC' . . . 34295 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.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 ACE H1 H 1 2.096 0.006 . 1 . . . . A 0 ACE H1 . 34295 1
2 . 1 1 1 1 ACE H2 H 1 2.096 0.006 . 1 . . . . A 0 ACE H2 . 34295 1
3 . 1 1 1 1 ACE H3 H 1 2.096 0.006 . 1 . . . . A 0 ACE H3 . 34295 1
4 . 1 1 1 1 ACE CH3 H 1 23.405 0.000 . 1 . . . . A 0 ACE CH3 . 34295 1
5 . 1 1 2 2 PRO HA H 1 3.532 0.021 . 1 . . . . A 1 PRO HA . 34295 1
6 . 1 1 2 2 PRO HB2 H 1 1.923 0.000 . 1 . . . . A 1 PRO HB2 . 34295 1
7 . 1 1 2 2 PRO HB3 H 1 1.923 0.000 . 1 . . . . A 1 PRO HB3 . 34295 1
8 . 1 1 2 2 PRO HG2 H 1 1.922 0.001 . 2 . . . . A 1 PRO HG2 . 34295 1
9 . 1 1 2 2 PRO HG3 H 1 1.866 0.005 . 2 . . . . A 1 PRO HG3 . 34295 1
10 . 1 1 2 2 PRO HD2 H 1 3.566 0.006 . 2 . . . . A 1 PRO HD2 . 34295 1
11 . 1 1 2 2 PRO HD3 H 1 3.522 0.020 . 2 . . . . A 1 PRO HD3 . 34295 1
12 . 1 1 2 2 PRO CA C 13 59.814 0.000 . 1 . . . . A 1 PRO CA . 34295 1
13 . 1 1 3 3 PRO HA H 1 4.413 0.009 . 1 . . . . A 2 PRO HA . 34295 1
14 . 1 1 3 3 PRO HB2 H 1 2.338 0.033 . 2 . . . . A 2 PRO HB2 . 34295 1
15 . 1 1 3 3 PRO HB3 H 1 1.981 0.012 . 2 . . . . A 2 PRO HB3 . 34295 1
16 . 1 1 3 3 PRO HG2 H 1 1.686 0.004 . 2 . . . . A 2 PRO HG2 . 34295 1
17 . 1 1 3 3 PRO HG3 H 1 1.742 0.011 . 2 . . . . A 2 PRO HG3 . 34295 1
18 . 1 1 3 3 PRO HD2 H 1 3.138 0.011 . 2 . . . . A 2 PRO HD2 . 34295 1
19 . 1 1 3 3 PRO HD3 H 1 3.219 0.014 . 2 . . . . A 2 PRO HD3 . 34295 1
20 . 1 1 3 3 PRO CA C 13 61.792 0.000 . 1 . . . . A 2 PRO CA . 34295 1
21 . 1 1 3 3 PRO CD C 13 48.893 0.006 . 1 . . . . A 2 PRO CD . 34295 1
22 . 1 1 4 4 LYS H H 1 8.736 0.006 . 1 . . . . A 3 LYS H . 34295 1
23 . 1 1 4 4 LYS HA H 1 4.325 0.010 . 1 . . . . A 3 LYS HA . 34295 1
24 . 1 1 4 4 LYS HB2 H 1 1.684 0.000 . 1 . . . . A 3 LYS HB2 . 34295 1
25 . 1 1 4 4 LYS HB3 H 1 1.684 0.000 . 1 . . . . A 3 LYS HB3 . 34295 1
26 . 1 1 4 4 LYS HE2 H 1 2.994 0.000 . 1 . . . . A 3 LYS HE2 . 34295 1
27 . 1 1 4 4 LYS HE3 H 1 2.994 0.000 . 1 . . . . A 3 LYS HE3 . 34295 1
28 . 1 1 4 4 LYS N N 15 122.219 0.000 . 1 . . . . A 3 LYS N . 34295 1
29 . 1 1 5 5 LYS H H 1 8.630 0.005 . 1 . . . . A 4 LYS H . 34295 1
30 . 1 1 5 5 LYS HA H 1 3.146 0.011 . 1 . . . . A 4 LYS HA . 34295 1
31 . 1 1 5 5 LYS HB2 H 1 1.494 0.000 . 2 . . . . A 4 LYS HB2 . 34295 1
32 . 1 1 5 5 LYS HB3 H 1 1.250 0.022 . 2 . . . . A 4 LYS HB3 . 34295 1
33 . 1 1 5 5 LYS HG2 H 1 0.702 0.004 . 1 . . . . A 4 LYS HG2 . 34295 1
34 . 1 1 5 5 LYS HG3 H 1 0.702 0.004 . 1 . . . . A 4 LYS HG3 . 34295 1
35 . 1 1 5 5 LYS HD2 H 1 1.566 0.000 . 1 . . . . A 4 LYS HD2 . 34295 1
36 . 1 1 5 5 LYS HD3 H 1 1.566 0.000 . 1 . . . . A 4 LYS HD3 . 34295 1
37 . 1 1 5 5 LYS HE2 H 1 2.985 0.000 . 2 . . . . A 4 LYS HE2 . 34295 1
38 . 1 1 5 5 LYS HE3 H 1 2.981 0.004 . 2 . . . . A 4 LYS HE3 . 34295 1
39 . 1 1 5 5 LYS CA C 13 53.919 0.000 . 1 . . . . A 4 LYS CA . 34295 1
40 . 1 1 5 5 LYS N N 15 128.845 0.000 . 1 . . . . A 4 LYS N . 34295 1
41 . 1 1 6 6 PRO HA H 1 4.404 0.008 . 1 . . . . A 5 PRO HA . 34295 1
42 . 1 1 6 6 PRO HB2 H 1 2.405 0.006 . 2 . . . . A 5 PRO HB2 . 34295 1
43 . 1 1 6 6 PRO HB3 H 1 1.925 0.010 . 2 . . . . A 5 PRO HB3 . 34295 1
44 . 1 1 6 6 PRO HG2 H 1 1.667 0.010 . 2 . . . . A 5 PRO HG2 . 34295 1
45 . 1 1 6 6 PRO HG3 H 1 1.718 0.000 . 2 . . . . A 5 PRO HG3 . 34295 1
46 . 1 1 6 6 PRO HD2 H 1 3.449 0.005 . 2 . . . . A 5 PRO HD2 . 34295 1
47 . 1 1 6 6 PRO HD3 H 1 3.028 0.006 . 2 . . . . A 5 PRO HD3 . 34295 1
48 . 1 1 6 6 PRO CA C 13 61.771 0.000 . 1 . . . . A 5 PRO CA . 34295 1
49 . 1 1 7 7 LYS H H 1 8.727 0.006 . 1 . . . . A 6 LYS H . 34295 1
50 . 1 1 7 7 LYS HA H 1 4.185 0.009 . 1 . . . . A 6 LYS HA . 34295 1
51 . 1 1 7 7 LYS HB2 H 1 1.682 0.007 . 1 . . . . A 6 LYS HB2 . 34295 1
52 . 1 1 7 7 LYS HB3 H 1 1.682 0.007 . 1 . . . . A 6 LYS HB3 . 34295 1
53 . 1 1 7 7 LYS HG2 H 1 1.356 0.000 . 1 . . . . A 6 LYS HG2 . 34295 1
54 . 1 1 7 7 LYS HG3 H 1 1.356 0.000 . 1 . . . . A 6 LYS HG3 . 34295 1
55 . 1 1 7 7 LYS HD2 H 1 1.421 0.001 . 2 . . . . A 6 LYS HD2 . 34295 1
56 . 1 1 7 7 LYS HD3 H 1 1.422 0.000 . 2 . . . . A 6 LYS HD3 . 34295 1
57 . 1 1 7 7 LYS HE2 H 1 2.997 0.002 . 1 . . . . A 6 LYS HE2 . 34295 1
58 . 1 1 7 7 LYS HE3 H 1 2.997 0.002 . 1 . . . . A 6 LYS HE3 . 34295 1
59 . 1 1 7 7 LYS N N 15 123.851 0.000 . 1 . . . . A 6 LYS N . 34295 1
60 . 1 1 8 8 LYS H H 1 8.549 0.003 . 1 . . . . A 7 LYS H . 34295 1
61 . 1 1 8 8 LYS HA H 1 3.518 0.004 . 1 . . . . A 7 LYS HA . 34295 1
62 . 1 1 8 8 LYS HB2 H 1 1.531 0.021 . 2 . . . . A 7 LYS HB2 . 34295 1
63 . 1 1 8 8 LYS HB3 H 1 1.570 0.005 . 2 . . . . A 7 LYS HB3 . 34295 1
64 . 1 1 8 8 LYS HG2 H 1 1.041 0.004 . 2 . . . . A 7 LYS HG2 . 34295 1
65 . 1 1 8 8 LYS HG3 H 1 1.363 0.005 . 2 . . . . A 7 LYS HG3 . 34295 1
66 . 1 1 8 8 LYS HD2 H 1 1.578 0.000 . 1 . . . . A 7 LYS HD2 . 34295 1
67 . 1 1 8 8 LYS HD3 H 1 1.578 0.000 . 1 . . . . A 7 LYS HD3 . 34295 1
68 . 1 1 8 8 LYS HE2 H 1 2.950 0.007 . 2 . . . . A 7 LYS HE2 . 34295 1
69 . 1 1 8 8 LYS HE3 H 1 2.955 0.003 . 2 . . . . A 7 LYS HE3 . 34295 1
70 . 1 1 8 8 LYS CA C 13 54.214 0.000 . 1 . . . . A 7 LYS CA . 34295 1
71 . 1 1 8 8 LYS N N 15 127.980 0.000 . 1 . . . . A 7 LYS N . 34295 1
72 . 1 1 9 9 PRO HA H 1 4.331 0.005 . 1 . . . . A 8 PRO HA . 34295 1
73 . 1 1 9 9 PRO HB2 H 1 1.755 0.011 . 2 . . . . A 8 PRO HB2 . 34295 1
74 . 1 1 9 9 PRO HB3 H 1 1.672 0.010 . 2 . . . . A 8 PRO HB3 . 34295 1
75 . 1 1 9 9 PRO HG2 H 1 2.168 0.009 . 1 . . . . A 8 PRO HG2 . 34295 1
76 . 1 1 9 9 PRO HD2 H 1 2.799 0.010 . 2 . . . . A 8 PRO HD2 . 34295 1
77 . 1 1 9 9 PRO HD3 H 1 2.969 0.010 . 2 . . . . A 8 PRO HD3 . 34295 1
78 . 1 1 9 9 PRO CA C 13 62.146 0.000 . 1 . . . . A 8 PRO CA . 34295 1
79 . 1 1 9 9 PRO CD C 13 49.705 0.000 . 1 . . . . A 8 PRO CD . 34295 1
80 . 1 1 10 10 GLY H H 1 8.354 0.002 . 1 . . . . A 9 GLY H . 34295 1
81 . 1 1 10 10 GLY HA2 H 1 3.871 0.009 . 2 . . . . A 9 GLY HA2 . 34295 1
82 . 1 1 10 10 GLY HA3 H 1 4.038 0.009 . 2 . . . . A 9 GLY HA3 . 34295 1
83 . 1 1 10 10 GLY CA C 13 43.710 0.003 . 1 . . . . A 9 GLY CA . 34295 1
84 . 1 1 10 10 GLY N N 15 108.328 0.000 . 1 . . . . A 9 GLY N . 34295 1
85 . 1 1 11 11 ASP H H 1 8.522 0.003 . 1 . . . . A 10 ASP H . 34295 1
86 . 1 1 11 11 ASP HA H 1 4.329 0.009 . 1 . . . . A 10 ASP HA . 34295 1
87 . 1 1 11 11 ASP HB2 H 1 2.652 0.011 . 2 . . . . A 10 ASP HB2 . 34295 1
88 . 1 1 11 11 ASP HB3 H 1 2.537 0.010 . 2 . . . . A 10 ASP HB3 . 34295 1
89 . 1 1 11 11 ASP CB C 13 40.024 0.004 . 1 . . . . A 10 ASP CB . 34295 1
90 . 1 1 11 11 ASP N N 15 119.162 0.000 . 1 . . . . A 10 ASP N . 34295 1
91 . 1 1 12 12 ASN H H 1 8.638 0.007 . 1 . . . . A 11 ASN H . 34295 1
92 . 1 1 12 12 ASN HA H 1 4.667 0.004 . 1 . . . . A 11 ASN HA . 34295 1
93 . 1 1 12 12 ASN HB2 H 1 2.864 0.008 . 2 . . . . A 11 ASN HB2 . 34295 1
94 . 1 1 12 12 ASN HB3 H 1 2.867 0.006 . 2 . . . . A 11 ASN HB3 . 34295 1
95 . 1 1 12 12 ASN HD21 H 1 7.720 0.002 . 1 . . . . A 11 ASN HD21 . 34295 1
96 . 1 1 12 12 ASN HD22 H 1 7.020 0.002 . 1 . . . . A 11 ASN HD22 . 34295 1
97 . 1 1 12 12 ASN CA C 13 52.135 0.000 . 1 . . . . A 11 ASN CA . 34295 1
98 . 1 1 12 12 ASN CB C 13 36.985 0.000 . 1 . . . . A 11 ASN CB . 34295 1
99 . 1 1 12 12 ASN N N 15 116.249 0.000 . 1 . . . . A 11 ASN N . 34295 1
100 . 1 1 12 12 ASN ND2 N 15 113.664 0.005 . 1 . . . . A 11 ASN ND2 . 34295 1
101 . 1 1 13 13 ALA H H 1 7.449 0.009 . 1 . . . . A 12 ALA H . 34295 1
102 . 1 1 13 13 ALA HA H 1 4.290 0.007 . 1 . . . . A 12 ALA HA . 34295 1
103 . 1 1 13 13 ALA HB1 H 1 1.420 0.038 . 1 . . . . A 12 ALA HB1 . 34295 1
104 . 1 1 13 13 ALA HB2 H 1 1.420 0.038 . 1 . . . . A 12 ALA HB2 . 34295 1
105 . 1 1 13 13 ALA HB3 H 1 1.420 0.038 . 1 . . . . A 12 ALA HB3 . 34295 1
106 . 1 1 13 13 ALA CA C 13 52.044 0.000 . 1 . . . . A 12 ALA CA . 34295 1
107 . 1 1 13 13 ALA CB C 13 21.949 0.000 . 1 . . . . A 12 ALA CB . 34295 1
108 . 1 1 13 13 ALA N N 15 122.598 0.000 . 1 . . . . A 12 ALA N . 34295 1
109 . 1 1 14 14 THR H H 1 7.790 0.006 . 1 . . . . A 13 THR H . 34295 1
110 . 1 1 14 14 THR HA H 1 4.576 0.008 . 1 . . . . A 13 THR HA . 34295 1
111 . 1 1 14 14 THR HB H 1 4.837 0.004 . 1 . . . . A 13 THR HB . 34295 1
112 . 1 1 14 14 THR HG1 H 1 5.767 0.000 . 1 . . . . A 13 THR HG1 . 34295 1
113 . 1 1 14 14 THR HG21 H 1 1.450 0.005 . 1 . . . . A 13 THR HG21 . 34295 1
114 . 1 1 14 14 THR HG22 H 1 1.450 0.005 . 1 . . . . A 13 THR HG22 . 34295 1
115 . 1 1 14 14 THR HG23 H 1 1.450 0.005 . 1 . . . . A 13 THR HG23 . 34295 1
116 . 1 1 14 14 THR CA C 13 59.206 0.000 . 1 . . . . A 13 THR CA . 34295 1
117 . 1 1 14 14 THR CB C 13 67.815 0.000 . 1 . . . . A 13 THR CB . 34295 1
118 . 1 1 14 14 THR N N 15 111.964 0.000 . 1 . . . . A 13 THR N . 34295 1
119 . 1 1 15 15 PRO HA H 1 4.259 0.012 . 1 . . . . A 14 PRO HA . 34295 1
120 . 1 1 15 15 PRO HB2 H 1 1.968 0.006 . 2 . . . . A 14 PRO HB2 . 34295 1
121 . 1 1 15 15 PRO HB3 H 1 2.095 0.005 . 2 . . . . A 14 PRO HB3 . 34295 1
122 . 1 1 15 15 PRO HG2 H 1 2.262 0.009 . 2 . . . . A 14 PRO HG2 . 34295 1
123 . 1 1 15 15 PRO HG3 H 1 2.430 0.008 . 2 . . . . A 14 PRO HG3 . 34295 1
124 . 1 1 15 15 PRO HD2 H 1 3.944 0.026 . 2 . . . . A 14 PRO HD2 . 34295 1
125 . 1 1 15 15 PRO HD3 H 1 3.959 0.022 . 2 . . . . A 14 PRO HD3 . 34295 1
126 . 1 1 15 15 PRO CA C 13 65.179 0.000 . 1 . . . . A 14 PRO CA . 34295 1
127 . 1 1 15 15 PRO CD C 13 49.792 0.000 . 1 . . . . A 14 PRO CD . 34295 1
128 . 1 1 16 16 GLU H H 1 9.082 0.005 . 1 . . . . A 15 GLU H . 34295 1
129 . 1 1 16 16 GLU HA H 1 4.153 0.011 . 1 . . . . A 15 GLU HA . 34295 1
130 . 1 1 16 16 GLU HB2 H 1 2.131 0.010 . 2 . . . . A 15 GLU HB2 . 34295 1
131 . 1 1 16 16 GLU HB3 H 1 1.978 0.013 . 2 . . . . A 15 GLU HB3 . 34295 1
132 . 1 1 16 16 GLU HG2 H 1 2.436 0.011 . 2 . . . . A 15 GLU HG2 . 34295 1
133 . 1 1 16 16 GLU HG3 H 1 2.333 0.010 . 2 . . . . A 15 GLU HG3 . 34295 1
134 . 1 1 16 16 GLU N N 15 118.003 0.000 . 1 . . . . A 15 GLU N . 34295 1
135 . 1 1 17 17 LYS H H 1 7.901 0.005 . 1 . . . . A 16 LYS H . 34295 1
136 . 1 1 17 17 LYS HA H 1 4.243 0.008 . 1 . . . . A 16 LYS HA . 34295 1
137 . 1 1 17 17 LYS HB2 H 1 2.086 0.006 . 2 . . . . A 16 LYS HB2 . 34295 1
138 . 1 1 17 17 LYS HB3 H 1 1.875 0.008 . 2 . . . . A 16 LYS HB3 . 34295 1
139 . 1 1 17 17 LYS HG2 H 1 1.550 0.000 . 2 . . . . A 16 LYS HG2 . 34295 1
140 . 1 1 17 17 LYS HG3 H 1 1.391 0.000 . 2 . . . . A 16 LYS HG3 . 34295 1
141 . 1 1 17 17 LYS HE2 H 1 3.020 0.000 . 1 . . . . A 16 LYS HE2 . 34295 1
142 . 1 1 17 17 LYS HE3 H 1 3.020 0.000 . 1 . . . . A 16 LYS HE3 . 34295 1
143 . 1 1 17 17 LYS CA C 13 58.053 0.000 . 1 . . . . A 16 LYS CA . 34295 1
144 . 1 1 17 17 LYS N N 15 122.960 0.000 . 1 . . . . A 16 LYS N . 34295 1
145 . 1 1 18 18 LEU H H 1 8.407 0.003 . 1 . . . . A 17 LEU H . 34295 1
146 . 1 1 18 18 LEU HA H 1 4.150 0.007 . 1 . . . . A 17 LEU HA . 34295 1
147 . 1 1 18 18 LEU HB2 H 1 1.657 0.037 . 2 . . . . A 17 LEU HB2 . 34295 1
148 . 1 1 18 18 LEU HB3 H 1 1.861 0.011 . 2 . . . . A 17 LEU HB3 . 34295 1
149 . 1 1 18 18 LEU HD11 H 1 0.847 0.000 . 2 . . . . A 17 LEU HD11 . 34295 1
150 . 1 1 18 18 LEU HD12 H 1 0.847 0.000 . 2 . . . . A 17 LEU HD12 . 34295 1
151 . 1 1 18 18 LEU HD13 H 1 0.847 0.000 . 2 . . . . A 17 LEU HD13 . 34295 1
152 . 1 1 18 18 LEU HD21 H 1 0.884 0.000 . 2 . . . . A 17 LEU HD21 . 34295 1
153 . 1 1 18 18 LEU HD22 H 1 0.884 0.000 . 2 . . . . A 17 LEU HD22 . 34295 1
154 . 1 1 18 18 LEU HD23 H 1 0.884 0.000 . 2 . . . . A 17 LEU HD23 . 34295 1
155 . 1 1 18 18 LEU N N 15 122.152 0.000 . 1 . . . . A 17 LEU N . 34295 1
156 . 1 1 19 19 ALA H H 1 8.367 0.005 . 1 . . . . A 18 ALA H . 34295 1
157 . 1 1 19 19 ALA HA H 1 4.271 0.000 . 1 . . . . A 18 ALA HA . 34295 1
158 . 1 1 19 19 ALA HB1 H 1 1.513 0.008 . 1 . . . . A 18 ALA HB1 . 34295 1
159 . 1 1 19 19 ALA HB2 H 1 1.513 0.008 . 1 . . . . A 18 ALA HB2 . 34295 1
160 . 1 1 19 19 ALA HB3 H 1 1.513 0.008 . 1 . . . . A 18 ALA HB3 . 34295 1
161 . 1 1 19 19 ALA N N 15 122.215 0.000 . 1 . . . . A 18 ALA N . 34295 1
162 . 1 1 20 20 ALA H H 1 7.963 0.003 . 1 . . . . A 19 ALA H . 34295 1
163 . 1 1 20 20 ALA HA H 1 4.227 0.008 . 1 . . . . A 19 ALA HA . 34295 1
164 . 1 1 20 20 ALA HB1 H 1 1.599 0.007 . 1 . . . . A 19 ALA HB1 . 34295 1
165 . 1 1 20 20 ALA HB2 H 1 1.599 0.007 . 1 . . . . A 19 ALA HB2 . 34295 1
166 . 1 1 20 20 ALA HB3 H 1 1.599 0.007 . 1 . . . . A 19 ALA HB3 . 34295 1
167 . 1 1 20 20 ALA N N 15 121.794 0.000 . 1 . . . . A 19 ALA N . 34295 1
168 . 1 1 21 21 TYR H H 1 8.075 0.003 . 1 . . . . A 20 TYR H . 34295 1
169 . 1 1 21 21 TYR HA H 1 4.482 0.005 . 1 . . . . A 20 TYR HA . 34295 1
170 . 1 1 21 21 TYR HB2 H 1 3.189 0.008 . 2 . . . . A 20 TYR HB2 . 34295 1
171 . 1 1 21 21 TYR HB3 H 1 3.246 0.007 . 2 . . . . A 20 TYR HB3 . 34295 1
172 . 1 1 21 21 TYR HD1 H 1 7.151 0.029 . 1 . . . . A 20 TYR HD1 . 34295 1
173 . 1 1 21 21 TYR HD2 H 1 7.151 0.029 . 1 . . . . A 20 TYR HD2 . 34295 1
174 . 1 1 21 21 TYR HE1 H 1 6.572 0.009 . 1 . . . . A 20 TYR HE1 . 34295 1
175 . 1 1 21 21 TYR HE2 H 1 6.572 0.009 . 1 . . . . A 20 TYR HE2 . 34295 1
176 . 1 1 21 21 TYR CA C 13 60.208 0.000 . 1 . . . . A 20 TYR CA . 34295 1
177 . 1 1 21 21 TYR N N 15 120.415 0.000 . 1 . . . . A 20 TYR N . 34295 1
178 . 1 1 22 22 GLU H H 1 8.249 0.005 . 1 . . . . A 21 GLU H . 34295 1
179 . 1 1 22 22 GLU HA H 1 3.661 0.007 . 1 . . . . A 21 GLU HA . 34295 1
180 . 1 1 22 22 GLU HB2 H 1 2.113 0.002 . 2 . . . . A 21 GLU HB2 . 34295 1
181 . 1 1 22 22 GLU HB3 H 1 2.154 0.001 . 2 . . . . A 21 GLU HB3 . 34295 1
182 . 1 1 22 22 GLU HG2 H 1 2.554 0.004 . 2 . . . . A 21 GLU HG2 . 34295 1
183 . 1 1 22 22 GLU HG3 H 1 2.394 0.004 . 2 . . . . A 21 GLU HG3 . 34295 1
184 . 1 1 22 22 GLU CA C 13 59.098 0.049 . 1 . . . . A 21 GLU CA . 34295 1
185 . 1 1 22 22 GLU N N 15 118.620 0.000 . 1 . . . . A 21 GLU N . 34295 1
186 . 1 1 23 23 LYS H H 1 7.631 0.012 . 1 . . . . A 22 LYS H . 34295 1
187 . 1 1 23 23 LYS HA H 1 4.145 0.015 . 1 . . . . A 22 LYS HA . 34295 1
188 . 1 1 23 23 LYS HB2 H 1 1.999 0.009 . 2 . . . . A 22 LYS HB2 . 34295 1
189 . 1 1 23 23 LYS HB3 H 1 2.001 0.006 . 2 . . . . A 22 LYS HB3 . 34295 1
190 . 1 1 23 23 LYS HG2 H 1 1.639 0.009 . 1 . . . . A 22 LYS HG2 . 34295 1
191 . 1 1 23 23 LYS HG3 H 1 1.639 0.009 . 1 . . . . A 22 LYS HG3 . 34295 1
192 . 1 1 23 23 LYS HD2 H 1 1.459 0.000 . 1 . . . . A 22 LYS HD2 . 34295 1
193 . 1 1 23 23 LYS HD3 H 1 1.459 0.000 . 1 . . . . A 22 LYS HD3 . 34295 1
194 . 1 1 23 23 LYS HE2 H 1 3.007 0.000 . 1 . . . . A 22 LYS HE2 . 34295 1
195 . 1 1 23 23 LYS HE3 H 1 3.007 0.000 . 1 . . . . A 22 LYS HE3 . 34295 1
196 . 1 1 23 23 LYS N N 15 119.856 0.000 . 1 . . . . A 22 LYS N . 34295 1
197 . 1 1 24 24 GLU H H 1 8.370 0.005 . 1 . . . . A 23 GLU H . 34295 1
198 . 1 1 24 24 GLU HA H 1 4.084 0.003 . 1 . . . . A 23 GLU HA . 34295 1
199 . 1 1 24 24 GLU HB2 H 1 1.986 0.006 . 2 . . . . A 23 GLU HB2 . 34295 1
200 . 1 1 24 24 GLU HB3 H 1 2.230 0.008 . 2 . . . . A 23 GLU HB3 . 34295 1
201 . 1 1 24 24 GLU HG2 H 1 2.558 0.004 . 2 . . . . A 23 GLU HG2 . 34295 1
202 . 1 1 24 24 GLU HG3 H 1 2.225 0.001 . 2 . . . . A 23 GLU HG3 . 34295 1
203 . 1 1 24 24 GLU N N 15 122.454 0.000 . 1 . . . . A 23 GLU N . 34295 1
204 . 1 1 25 25 LEU H H 1 9.226 0.001 . 1 . . . . A 24 LEU H . 34295 1
205 . 1 1 25 25 LEU HA H 1 3.943 0.006 . 1 . . . . A 24 LEU HA . 34295 1
206 . 1 1 25 25 LEU HB2 H 1 1.463 0.008 . 2 . . . . A 24 LEU HB2 . 34295 1
207 . 1 1 25 25 LEU HB3 H 1 1.571 0.001 . 2 . . . . A 24 LEU HB3 . 34295 1
208 . 1 1 25 25 LEU HD11 H 1 0.860 0.005 . 2 . . . . A 24 LEU HD11 . 34295 1
209 . 1 1 25 25 LEU HD12 H 1 0.860 0.005 . 2 . . . . A 24 LEU HD12 . 34295 1
210 . 1 1 25 25 LEU HD13 H 1 0.860 0.005 . 2 . . . . A 24 LEU HD13 . 34295 1
211 . 1 1 25 25 LEU HD21 H 1 0.902 0.003 . 2 . . . . A 24 LEU HD21 . 34295 1
212 . 1 1 25 25 LEU HD22 H 1 0.902 0.003 . 2 . . . . A 24 LEU HD22 . 34295 1
213 . 1 1 25 25 LEU HD23 H 1 0.902 0.003 . 2 . . . . A 24 LEU HD23 . 34295 1
214 . 1 1 25 25 LEU CA C 13 57.346 0.000 . 1 . . . . A 24 LEU CA . 34295 1
215 . 1 1 25 25 LEU N N 15 123.915 0.000 . 1 . . . . A 24 LEU N . 34295 1
216 . 1 1 26 26 ALA H H 1 7.749 0.004 . 1 . . . . A 25 ALA H . 34295 1
217 . 1 1 26 26 ALA HA H 1 4.228 0.002 . 1 . . . . A 25 ALA HA . 34295 1
218 . 1 1 26 26 ALA HB1 H 1 1.513 0.012 . 1 . . . . A 25 ALA HB1 . 34295 1
219 . 1 1 26 26 ALA HB2 H 1 1.513 0.012 . 1 . . . . A 25 ALA HB2 . 34295 1
220 . 1 1 26 26 ALA HB3 H 1 1.513 0.012 . 1 . . . . A 25 ALA HB3 . 34295 1
221 . 1 1 26 26 ALA N N 15 121.208 0.000 . 1 . . . . A 25 ALA N . 34295 1
222 . 1 1 27 27 ALA H H 1 7.798 0.006 . 1 . . . . A 26 ALA H . 34295 1
223 . 1 1 27 27 ALA HA H 1 4.205 0.004 . 1 . . . . A 26 ALA HA . 34295 1
224 . 1 1 27 27 ALA HB1 H 1 1.560 0.008 . 1 . . . . A 26 ALA HB1 . 34295 1
225 . 1 1 27 27 ALA HB2 H 1 1.560 0.008 . 1 . . . . A 26 ALA HB2 . 34295 1
226 . 1 1 27 27 ALA HB3 H 1 1.560 0.008 . 1 . . . . A 26 ALA HB3 . 34295 1
227 . 1 1 27 27 ALA N N 15 121.301 0.000 . 1 . . . . A 26 ALA N . 34295 1
228 . 1 1 28 28 TYR H H 1 8.300 0.004 . 1 . . . . A 27 TYR H . 34295 1
229 . 1 1 28 28 TYR HA H 1 4.370 0.007 . 1 . . . . A 27 TYR HA . 34295 1
230 . 1 1 28 28 TYR HB2 H 1 3.240 0.007 . 2 . . . . A 27 TYR HB2 . 34295 1
231 . 1 1 28 28 TYR HB3 H 1 3.341 0.005 . 2 . . . . A 27 TYR HB3 . 34295 1
232 . 1 1 28 28 TYR HD1 H 1 7.064 0.007 . 1 . . . . A 27 TYR HD1 . 34295 1
233 . 1 1 28 28 TYR HD2 H 1 7.064 0.007 . 1 . . . . A 27 TYR HD2 . 34295 1
234 . 1 1 28 28 TYR HE1 H 1 6.655 0.006 . 1 . . . . A 27 TYR HE1 . 34295 1
235 . 1 1 28 28 TYR HE2 H 1 6.655 0.006 . 1 . . . . A 27 TYR HE2 . 34295 1
236 . 1 1 28 28 TYR CA C 13 60.172 0.000 . 1 . . . . A 27 TYR CA . 34295 1
237 . 1 1 28 28 TYR CB C 13 37.257 0.005 . 1 . . . . A 27 TYR CB . 34295 1
238 . 1 1 28 28 TYR CD1 C 13 133.127 0.000 . 1 . . . . A 27 TYR CD1 . 34295 1
239 . 1 1 28 28 TYR CD2 C 13 133.127 0.000 . 1 . . . . A 27 TYR CD2 . 34295 1
240 . 1 1 28 28 TYR CE1 C 13 117.367 0.000 . 1 . . . . A 27 TYR CE1 . 34295 1
241 . 1 1 28 28 TYR CE2 C 13 117.367 0.000 . 1 . . . . A 27 TYR CE2 . 34295 1
242 . 1 1 28 28 TYR N N 15 121.950 0.000 . 1 . . . . A 27 TYR N . 34295 1
243 . 1 1 29 29 GLU H H 1 8.647 0.002 . 1 . . . . A 28 GLU H . 34295 1
244 . 1 1 29 29 GLU HA H 1 3.587 0.009 . 1 . . . . A 28 GLU HA . 34295 1
245 . 1 1 29 29 GLU HB2 H 1 2.014 0.004 . 2 . . . . A 28 GLU HB2 . 34295 1
246 . 1 1 29 29 GLU HB3 H 1 2.103 0.000 . 2 . . . . A 28 GLU HB3 . 34295 1
247 . 1 1 29 29 GLU HG2 H 1 2.384 0.006 . 2 . . . . A 28 GLU HG2 . 34295 1
248 . 1 1 29 29 GLU HG3 H 1 2.621 0.001 . 2 . . . . A 28 GLU HG3 . 34295 1
249 . 1 1 29 29 GLU N N 15 119.047 0.000 . 1 . . . . A 28 GLU N . 34295 1
250 . 1 1 30 30 LYS H H 1 7.647 0.009 . 1 . . . . A 29 LYS H . 34295 1
251 . 1 1 30 30 LYS HA H 1 4.096 0.010 . 1 . . . . A 29 LYS HA . 34295 1
252 . 1 1 30 30 LYS HB2 H 1 1.961 0.009 . 1 . . . . A 29 LYS HB2 . 34295 1
253 . 1 1 30 30 LYS HB3 H 1 1.961 0.009 . 1 . . . . A 29 LYS HB3 . 34295 1
254 . 1 1 30 30 LYS HG2 H 1 1.600 0.002 . 2 . . . . A 29 LYS HG2 . 34295 1
255 . 1 1 30 30 LYS HG3 H 1 1.602 0.001 . 2 . . . . A 29 LYS HG3 . 34295 1
256 . 1 1 30 30 LYS HD2 H 1 1.423 0.000 . 1 . . . . A 29 LYS HD2 . 34295 1
257 . 1 1 30 30 LYS HD3 H 1 1.423 0.000 . 1 . . . . A 29 LYS HD3 . 34295 1
258 . 1 1 30 30 LYS HE2 H 1 2.993 0.000 . 1 . . . . A 29 LYS HE2 . 34295 1
259 . 1 1 30 30 LYS HE3 H 1 2.993 0.000 . 1 . . . . A 29 LYS HE3 . 34295 1
260 . 1 1 30 30 LYS N N 15 120.252 0.000 . 1 . . . . A 29 LYS N . 34295 1
261 . 1 1 31 31 GLU H H 1 8.243 0.003 . 1 . . . . A 30 GLU H . 34295 1
262 . 1 1 31 31 GLU HA H 1 4.062 0.007 . 1 . . . . A 30 GLU HA . 34295 1
263 . 1 1 31 31 GLU HB2 H 1 1.958 0.000 . 2 . . . . A 30 GLU HB2 . 34295 1
264 . 1 1 31 31 GLU HB3 H 1 1.992 0.005 . 2 . . . . A 30 GLU HB3 . 34295 1
265 . 1 1 31 31 GLU HG2 H 1 2.119 0.001 . 2 . . . . A 30 GLU HG2 . 34295 1
266 . 1 1 31 31 GLU HG3 H 1 2.238 0.003 . 2 . . . . A 30 GLU HG3 . 34295 1
267 . 1 1 31 31 GLU N N 15 121.939 0.000 . 1 . . . . A 30 GLU N . 34295 1
268 . 1 1 32 32 LEU H H 1 8.996 0.004 . 1 . . . . A 31 LEU H . 34295 1
269 . 1 1 32 32 LEU HA H 1 3.835 0.008 . 1 . . . . A 31 LEU HA . 34295 1
270 . 1 1 32 32 LEU HB2 H 1 1.516 0.008 . 2 . . . . A 31 LEU HB2 . 34295 1
271 . 1 1 32 32 LEU HB3 H 1 1.389 0.008 . 2 . . . . A 31 LEU HB3 . 34295 1
272 . 1 1 32 32 LEU HD11 H 1 0.830 0.009 . 2 . . . . A 31 LEU HD11 . 34295 1
273 . 1 1 32 32 LEU HD12 H 1 0.830 0.009 . 2 . . . . A 31 LEU HD12 . 34295 1
274 . 1 1 32 32 LEU HD13 H 1 0.830 0.009 . 2 . . . . A 31 LEU HD13 . 34295 1
275 . 1 1 32 32 LEU HD21 H 1 0.919 0.010 . 2 . . . . A 31 LEU HD21 . 34295 1
276 . 1 1 32 32 LEU HD22 H 1 0.919 0.010 . 2 . . . . A 31 LEU HD22 . 34295 1
277 . 1 1 32 32 LEU HD23 H 1 0.919 0.010 . 2 . . . . A 31 LEU HD23 . 34295 1
278 . 1 1 32 32 LEU CA C 13 57.033 0.000 . 1 . . . . A 31 LEU CA . 34295 1
279 . 1 1 32 32 LEU N N 15 122.212 0.000 . 1 . . . . A 31 LEU N . 34295 1
280 . 1 1 33 33 ALA H H 1 7.671 0.003 . 1 . . . . A 32 ALA H . 34295 1
281 . 1 1 33 33 ALA HA H 1 4.117 0.005 . 1 . . . . A 32 ALA HA . 34295 1
282 . 1 1 33 33 ALA HB1 H 1 1.469 0.000 . 1 . . . . A 32 ALA HB1 . 34295 1
283 . 1 1 33 33 ALA HB2 H 1 1.469 0.000 . 1 . . . . A 32 ALA HB2 . 34295 1
284 . 1 1 33 33 ALA HB3 H 1 1.469 0.000 . 1 . . . . A 32 ALA HB3 . 34295 1
285 . 1 1 33 33 ALA CA C 13 53.881 0.000 . 1 . . . . A 32 ALA CA . 34295 1
286 . 1 1 33 33 ALA N N 15 121.118 0.000 . 1 . . . . A 32 ALA N . 34295 1
287 . 1 1 34 34 ALA H H 1 7.475 0.006 . 1 . . . . A 33 ALA H . 34295 1
288 . 1 1 34 34 ALA HA H 1 4.206 0.010 . 1 . . . . A 33 ALA HA . 34295 1
289 . 1 1 34 34 ALA HB1 H 1 1.461 0.007 . 1 . . . . A 33 ALA HB1 . 34295 1
290 . 1 1 34 34 ALA HB2 H 1 1.461 0.007 . 1 . . . . A 33 ALA HB2 . 34295 1
291 . 1 1 34 34 ALA HB3 H 1 1.461 0.007 . 1 . . . . A 33 ALA HB3 . 34295 1
292 . 1 1 34 34 ALA N N 15 119.237 0.000 . 1 . . . . A 33 ALA N . 34295 1
293 . 1 1 35 35 TYR H H 1 7.922 0.004 . 1 . . . . A 34 TYR H . 34295 1
294 . 1 1 35 35 TYR HA H 1 4.162 0.008 . 1 . . . . A 34 TYR HA . 34295 1
295 . 1 1 35 35 TYR HB2 H 1 3.189 0.005 . 2 . . . . A 34 TYR HB2 . 34295 1
296 . 1 1 35 35 TYR HB3 H 1 3.063 0.009 . 2 . . . . A 34 TYR HB3 . 34295 1
297 . 1 1 35 35 TYR HD1 H 1 7.180 0.008 . 1 . . . . A 34 TYR HD1 . 34295 1
298 . 1 1 35 35 TYR HD2 H 1 7.180 0.008 . 1 . . . . A 34 TYR HD2 . 34295 1
299 . 1 1 35 35 TYR HE1 H 1 6.779 0.006 . 1 . . . . A 34 TYR HE1 . 34295 1
300 . 1 1 35 35 TYR HE2 H 1 6.779 0.006 . 1 . . . . A 34 TYR HE2 . 34295 1
301 . 1 1 35 35 TYR CB C 13 38.423 0.000 . 1 . . . . A 34 TYR CB . 34295 1
302 . 1 1 35 35 TYR CD1 C 13 132.685 0.000 . 1 . . . . A 34 TYR CD1 . 34295 1
303 . 1 1 35 35 TYR CD2 C 13 132.685 0.000 . 1 . . . . A 34 TYR CD2 . 34295 1
304 . 1 1 35 35 TYR CE1 C 13 117.507 0.000 . 1 . . . . A 34 TYR CE1 . 34295 1
305 . 1 1 35 35 TYR CE2 C 13 117.507 0.000 . 1 . . . . A 34 TYR CE2 . 34295 1
306 . 1 1 35 35 TYR N N 15 120.697 0.000 . 1 . . . . A 34 TYR N . 34295 1
stop_
save_