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 34033
_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 0.1
_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 1H-1H NOESY' . . isotropic 34033 1
2 '2D 1H-1H NOESY' . . isotropic 34033 1
3 '2D 1H-1H TOCSY' . . isotropic 34033 1
4 '2D 1H-15N HSQC' . . isotropic 34033 1
5 '2D 1H-13C HSQC' . . isotropic 34033 1
6 '2D 1H-1H NOESY' . . isotropic 34033 1
7 '2D 1H-1H NOESY' . . isotropic 34033 1
8 '2D DQF-COSY' . . isotropic 34033 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 2.098 0.002 . 1 . . . A 0 ACE H1 . 34033 1
2 . 1 1 1 1 ACE H2 H 1 2.098 0.002 . 1 . . . A 0 ACE H2 . 34033 1
3 . 1 1 1 1 ACE H3 H 1 2.098 0.002 . 1 . . . A 0 ACE H3 . 34033 1
4 . 1 1 1 1 ACE CH3 C 13 26.034 0.000 . 1 . . . A 0 ACE CH3 . 34033 1
5 . 1 1 2 2 PRO HA H 1 3.664 0.001 . 1 . . . A 1 PRO HA . 34033 1
6 . 1 1 2 2 PRO HB2 H 1 1.757 0.001 . 2 . . . A 1 PRO HB2 . 34033 1
7 . 1 1 2 2 PRO HB3 H 1 1.896 0.004 . 2 . . . A 1 PRO HB3 . 34033 1
8 . 1 1 2 2 PRO HG2 H 1 1.897 0.003 . 2 . . . A 1 PRO HG2 . 34033 1
9 . 1 1 2 2 PRO HG3 H 1 1.758 0.003 . 2 . . . A 1 PRO HG3 . 34033 1
10 . 1 1 2 2 PRO HD2 H 1 3.496 0.003 . 2 . . . A 1 PRO HD2 . 34033 1
11 . 1 1 2 2 PRO HD3 H 1 3.573 0.001 . 2 . . . A 1 PRO HD3 . 34033 1
12 . 1 1 2 2 PRO CA C 13 62.591 0.000 . 1 . . . A 1 PRO CA . 34033 1
13 . 1 1 3 3 PRO HA H 1 4.549 0.002 . 1 . . . A 2 PRO HA . 34033 1
14 . 1 1 3 3 PRO HB2 H 1 2.372 0.005 . 2 . . . A 2 PRO HB2 . 34033 1
15 . 1 1 3 3 PRO HB3 H 1 2.103 0.002 . 2 . . . A 2 PRO HB3 . 34033 1
16 . 1 1 3 3 PRO HG2 H 1 1.760 0.002 . 2 . . . A 2 PRO HG2 . 34033 1
17 . 1 1 3 3 PRO HG3 H 1 1.708 0.007 . 2 . . . A 2 PRO HG3 . 34033 1
18 . 1 1 3 3 PRO HD2 H 1 3.207 0.002 . 2 . . . A 2 PRO HD2 . 34033 1
19 . 1 1 3 3 PRO HD3 H 1 3.302 0.006 . 2 . . . A 2 PRO HD3 . 34033 1
20 . 1 1 4 4 THR H H 1 8.672 0.008 . 1 . . . A 3 THR H . 34033 1
21 . 1 1 4 4 THR HA H 1 4.337 0.016 . 1 . . . A 3 THR HA . 34033 1
22 . 1 1 4 4 THR HB H 1 3.937 0.017 . 1 . . . A 3 THR HB . 34033 1
23 . 1 1 4 4 THR HG21 H 1 1.147 0.001 . 1 . . . A 3 THR HG21 . 34033 1
24 . 1 1 4 4 THR HG22 H 1 1.147 0.001 . 1 . . . A 3 THR HG22 . 34033 1
25 . 1 1 4 4 THR HG23 H 1 1.147 0.001 . 1 . . . A 3 THR HG23 . 34033 1
26 . 1 1 4 4 THR CA C 13 64.290 0.000 . 1 . . . A 3 THR CA . 34033 1
27 . 1 1 4 4 THR CG2 C 13 23.560 0.000 . 1 . . . A 3 THR CG2 . 34033 1
28 . 1 1 4 4 THR N N 15 114.567 0.000 . 1 . . . A 3 THR N . 34033 1
29 . 1 1 5 5 LYS H H 1 8.686 0.002 . 1 . . . A 4 LYS H . 34033 1
30 . 1 1 5 5 LYS HA H 1 2.870 0.004 . 1 . . . A 4 LYS HA . 34033 1
31 . 1 1 5 5 LYS HB2 H 1 1.425 0.003 . 2 . . . A 4 LYS HB2 . 34033 1
32 . 1 1 5 5 LYS HB3 H 1 1.370 0.005 . 2 . . . A 4 LYS HB3 . 34033 1
33 . 1 1 5 5 LYS HG2 H 1 1.122 0.005 . 2 . . . A 4 LYS HG2 . 34033 1
34 . 1 1 5 5 LYS HG3 H 1 0.647 0.003 . 2 . . . A 4 LYS HG3 . 34033 1
35 . 1 1 5 5 LYS HD2 H 1 1.370 0.004 . 1 . . . A 4 LYS HD2 . 34033 1
36 . 1 1 5 5 LYS HD3 H 1 1.370 0.004 . 1 . . . A 4 LYS HD3 . 34033 1
37 . 1 1 5 5 LYS HE2 H 1 2.864 0.002 . 2 . . . A 4 LYS HE2 . 34033 1
38 . 1 1 5 5 LYS HE3 H 1 2.903 0.000 . 2 . . . A 4 LYS HE3 . 34033 1
39 . 1 1 5 5 LYS N N 15 128.405 0.000 . 1 . . . A 4 LYS N . 34033 1
40 . 1 1 6 6 PRO HA H 1 4.495 0.002 . 1 . . . A 5 PRO HA . 34033 1
41 . 1 1 6 6 PRO HB2 H 1 2.398 0.001 . 1 . . . A 5 PRO HB2 . 34033 1
42 . 1 1 6 6 PRO HG2 H 1 1.664 0.003 . 2 . . . A 5 PRO HG2 . 34033 1
43 . 1 1 6 6 PRO HG3 H 1 1.561 0.008 . 2 . . . A 5 PRO HG3 . 34033 1
44 . 1 1 6 6 PRO HD2 H 1 3.421 0.003 . 2 . . . A 5 PRO HD2 . 34033 1
45 . 1 1 6 6 PRO HD3 H 1 3.101 0.005 . 2 . . . A 5 PRO HD3 . 34033 1
46 . 1 1 7 7 THR H H 1 8.584 0.002 . 1 . . . A 6 THR H . 34033 1
47 . 1 1 7 7 THR HG21 H 1 1.192 0.002 . 1 . . . A 6 THR HG21 . 34033 1
48 . 1 1 7 7 THR HG22 H 1 1.192 0.002 . 1 . . . A 6 THR HG22 . 34033 1
49 . 1 1 7 7 THR HG23 H 1 1.192 0.002 . 1 . . . A 6 THR HG23 . 34033 1
50 . 1 1 7 7 THR CB C 13 72.241 0.009 . 1 . . . A 6 THR CB . 34033 1
51 . 1 1 7 7 THR CG2 C 13 23.760 0.000 . 1 . . . A 6 THR CG2 . 34033 1
52 . 1 1 7 7 THR N N 15 115.866 0.000 . 1 . . . A 6 THR N . 34033 1
53 . 1 1 8 8 LYS H H 1 8.640 0.002 . 1 . . . A 7 LYS H . 34033 1
54 . 1 1 8 8 LYS HA H 1 3.258 0.004 . 1 . . . A 7 LYS HA . 34033 1
55 . 1 1 8 8 LYS HB2 H 1 1.539 0.000 . 1 . . . A 7 LYS HB2 . 34033 1
56 . 1 1 8 8 LYS HG2 H 1 0.952 0.003 . 1 . . . A 7 LYS HG2 . 34033 1
57 . 1 1 8 8 LYS HG3 H 1 0.952 0.003 . 1 . . . A 7 LYS HG3 . 34033 1
58 . 1 1 8 8 LYS HD2 H 1 1.451 0.002 . 2 . . . A 7 LYS HD2 . 34033 1
59 . 1 1 8 8 LYS HD3 H 1 1.334 0.004 . 2 . . . A 7 LYS HD3 . 34033 1
60 . 1 1 8 8 LYS HE2 H 1 2.929 0.004 . 1 . . . A 7 LYS HE2 . 34033 1
61 . 1 1 8 8 LYS HE3 H 1 2.929 0.004 . 1 . . . A 7 LYS HE3 . 34033 1
62 . 1 1 8 8 LYS CA C 13 56.791 0.000 . 1 . . . A 7 LYS CA . 34033 1
63 . 1 1 8 8 LYS N N 15 127.254 0.000 . 1 . . . A 7 LYS N . 34033 1
64 . 1 1 9 9 PRO HA H 1 4.354 0.017 . 1 . . . A 8 PRO HA . 34033 1
65 . 1 1 9 9 PRO HB2 H 1 2.181 0.014 . 2 . . . A 8 PRO HB2 . 34033 1
66 . 1 1 9 9 PRO HB3 H 1 1.777 0.013 . 2 . . . A 8 PRO HB3 . 34033 1
67 . 1 1 9 9 PRO HG2 H 1 1.704 0.014 . 2 . . . A 8 PRO HG2 . 34033 1
68 . 1 1 9 9 PRO HG3 H 1 1.696 0.005 . 2 . . . A 8 PRO HG3 . 34033 1
69 . 1 1 9 9 PRO HD2 H 1 3.006 0.013 . 2 . . . A 8 PRO HD2 . 34033 1
70 . 1 1 9 9 PRO HD3 H 1 2.849 0.007 . 2 . . . A 8 PRO HD3 . 34033 1
71 . 1 1 9 9 PRO CA C 13 64.748 0.000 . 1 . . . A 8 PRO CA . 34033 1
72 . 1 1 10 10 GLY H H 1 8.366 0.023 . 1 . . . A 9 GLY H . 34033 1
73 . 1 1 10 10 GLY HA2 H 1 3.866 0.020 . 2 . . . A 9 GLY HA2 . 34033 1
74 . 1 1 10 10 GLY HA3 H 1 4.009 0.023 . 2 . . . A 9 GLY HA3 . 34033 1
75 . 1 1 10 10 GLY N N 15 106.688 0.000 . 1 . . . A 9 GLY N . 34033 1
76 . 1 1 11 11 ASP H H 1 8.536 0.003 . 1 . . . A 10 ASP H . 34033 1
77 . 1 1 11 11 ASP HA H 1 4.344 0.008 . 1 . . . A 10 ASP HA . 34033 1
78 . 1 1 11 11 ASP HB2 H 1 2.654 0.005 . 2 . . . A 10 ASP HB2 . 34033 1
79 . 1 1 11 11 ASP HB3 H 1 2.530 0.002 . 2 . . . A 10 ASP HB3 . 34033 1
80 . 1 1 11 11 ASP N N 15 117.720 0.000 . 1 . . . A 10 ASP N . 34033 1
81 . 1 1 12 12 ASN H H 1 8.644 0.003 . 1 . . . A 11 ASN H . 34033 1
82 . 1 1 12 12 ASN HA H 1 4.670 0.004 . 1 . . . A 11 ASN HA . 34033 1
83 . 1 1 12 12 ASN HB2 H 1 2.862 0.005 . 2 . . . A 11 ASN HB2 . 34033 1
84 . 1 1 12 12 ASN HB3 H 1 2.863 0.004 . 2 . . . A 11 ASN HB3 . 34033 1
85 . 1 1 12 12 ASN HD21 H 1 7.726 0.002 . 1 . . . A 11 ASN HD21 . 34033 1
86 . 1 1 12 12 ASN HD22 H 1 7.028 0.003 . 1 . . . A 11 ASN HD22 . 34033 1
87 . 1 1 12 12 ASN CA C 13 54.809 0.000 . 1 . . . A 11 ASN CA . 34033 1
88 . 1 1 12 12 ASN CB C 13 39.586 0.000 . 1 . . . A 11 ASN CB . 34033 1
89 . 1 1 12 12 ASN N N 15 114.754 0.000 . 1 . . . A 11 ASN N . 34033 1
90 . 1 1 12 12 ASN ND2 N 15 111.990 0.007 . 1 . . . A 11 ASN ND2 . 34033 1
91 . 1 1 13 13 ALA H H 1 7.489 0.003 . 1 . . . A 12 ALA H . 34033 1
92 . 1 1 13 13 ALA HA H 1 4.288 0.001 . 1 . . . A 12 ALA HA . 34033 1
93 . 1 1 13 13 ALA HB1 H 1 1.397 0.003 . 1 . . . A 12 ALA HB1 . 34033 1
94 . 1 1 13 13 ALA HB2 H 1 1.397 0.003 . 1 . . . A 12 ALA HB2 . 34033 1
95 . 1 1 13 13 ALA HB3 H 1 1.397 0.003 . 1 . . . A 12 ALA HB3 . 34033 1
96 . 1 1 13 13 ALA CA C 13 54.706 0.000 . 1 . . . A 12 ALA CA . 34033 1
97 . 1 1 13 13 ALA CB C 13 21.868 0.000 . 1 . . . A 12 ALA CB . 34033 1
98 . 1 1 13 13 ALA N N 15 120.868 0.000 . 1 . . . A 12 ALA N . 34033 1
99 . 1 1 14 14 THR H H 1 7.700 0.002 . 1 . . . A 13 THR H . 34033 1
100 . 1 1 14 14 THR HA H 1 4.579 0.001 . 1 . . . A 13 THR HA . 34033 1
101 . 1 1 14 14 THR HB H 1 4.827 0.002 . 1 . . . A 13 THR HB . 34033 1
102 . 1 1 14 14 THR HG21 H 1 1.454 0.001 . 1 . . . A 13 THR HG21 . 34033 1
103 . 1 1 14 14 THR HG22 H 1 1.454 0.001 . 1 . . . A 13 THR HG22 . 34033 1
104 . 1 1 14 14 THR HG23 H 1 1.454 0.001 . 1 . . . A 13 THR HG23 . 34033 1
105 . 1 1 14 14 THR CB C 13 70.309 0.000 . 1 . . . A 13 THR CB . 34033 1
106 . 1 1 14 14 THR CG2 C 13 24.477 0.000 . 1 . . . A 13 THR CG2 . 34033 1
107 . 1 1 14 14 THR N N 15 110.064 0.000 . 1 . . . A 13 THR N . 34033 1
108 . 1 1 15 15 PRO HA H 1 4.257 0.000 . 1 . . . A 14 PRO HA . 34033 1
109 . 1 1 15 15 PRO HB2 H 1 1.980 0.004 . 2 . . . A 14 PRO HB2 . 34033 1
110 . 1 1 15 15 PRO HB3 H 1 1.982 0.002 . 2 . . . A 14 PRO HB3 . 34033 1
111 . 1 1 15 15 PRO HG2 H 1 2.261 0.001 . 2 . . . A 14 PRO HG2 . 34033 1
112 . 1 1 15 15 PRO HG3 H 1 2.091 0.007 . 2 . . . A 14 PRO HG3 . 34033 1
113 . 1 1 15 15 PRO HD2 H 1 3.925 0.004 . 2 . . . A 14 PRO HD2 . 34033 1
114 . 1 1 15 15 PRO HD3 H 1 3.985 0.001 . 2 . . . A 14 PRO HD3 . 34033 1
115 . 1 1 15 15 PRO CA C 13 67.775 0.000 . 1 . . . A 14 PRO CA . 34033 1
116 . 1 1 16 16 GLU H H 1 9.074 0.005 . 1 . . . A 15 GLU H . 34033 1
117 . 1 1 16 16 GLU HA H 1 4.167 0.004 . 1 . . . A 15 GLU HA . 34033 1
118 . 1 1 16 16 GLU HB2 H 1 1.973 0.003 . 2 . . . A 15 GLU HB2 . 34033 1
119 . 1 1 16 16 GLU HB3 H 1 2.141 0.003 . 2 . . . A 15 GLU HB3 . 34033 1
120 . 1 1 16 16 GLU HG2 H 1 2.345 0.002 . 2 . . . A 15 GLU HG2 . 34033 1
121 . 1 1 16 16 GLU HG3 H 1 2.420 0.014 . 2 . . . A 15 GLU HG3 . 34033 1
122 . 1 1 16 16 GLU N N 15 116.636 0.000 . 1 . . . A 15 GLU N . 34033 1
123 . 1 1 17 17 LYS H H 1 7.882 0.002 . 1 . . . A 16 LYS H . 34033 1
124 . 1 1 17 17 LYS HA H 1 4.179 0.013 . 1 . . . A 16 LYS HA . 34033 1
125 . 1 1 17 17 LYS HB2 H 1 1.830 0.003 . 2 . . . A 16 LYS HB2 . 34033 1
126 . 1 1 17 17 LYS HB3 H 1 2.076 0.003 . 2 . . . A 16 LYS HB3 . 34033 1
127 . 1 1 17 17 LYS N N 15 120.750 0.000 . 1 . . . A 16 LYS N . 34033 1
128 . 1 1 18 18 LEU H H 1 8.398 0.002 . 1 . . . A 17 LEU H . 34033 1
129 . 1 1 18 18 LEU HA H 1 4.157 0.004 . 1 . . . A 17 LEU HA . 34033 1
130 . 1 1 18 18 LEU HB2 H 1 1.893 0.002 . 2 . . . A 17 LEU HB2 . 34033 1
131 . 1 1 18 18 LEU HB3 H 1 1.653 0.004 . 2 . . . A 17 LEU HB3 . 34033 1
132 . 1 1 18 18 LEU HD11 H 1 0.863 0.001 . 2 . . . A 17 LEU HD11 . 34033 1
133 . 1 1 18 18 LEU HD12 H 1 0.863 0.001 . 2 . . . A 17 LEU HD12 . 34033 1
134 . 1 1 18 18 LEU HD13 H 1 0.863 0.001 . 2 . . . A 17 LEU HD13 . 34033 1
135 . 1 1 18 18 LEU HD21 H 1 0.892 0.001 . 2 . . . A 17 LEU HD21 . 34033 1
136 . 1 1 18 18 LEU HD22 H 1 0.892 0.001 . 2 . . . A 17 LEU HD22 . 34033 1
137 . 1 1 18 18 LEU HD23 H 1 0.892 0.001 . 2 . . . A 17 LEU HD23 . 34033 1
138 . 1 1 18 18 LEU CD1 C 13 25.004 0.000 . 2 . . . A 17 LEU CD1 . 34033 1
139 . 1 1 18 18 LEU CD2 C 13 26.959 0.000 . 2 . . . A 17 LEU CD2 . 34033 1
140 . 1 1 18 18 LEU N N 15 120.611 0.000 . 1 . . . A 17 LEU N . 34033 1
141 . 1 1 19 19 ALA H H 1 8.427 0.003 . 1 . . . A 18 ALA H . 34033 1
142 . 1 1 19 19 ALA HA H 1 4.261 0.003 . 1 . . . A 18 ALA HA . 34033 1
143 . 1 1 19 19 ALA HB1 H 1 1.521 0.005 . 1 . . . A 18 ALA HB1 . 34033 1
144 . 1 1 19 19 ALA HB2 H 1 1.521 0.005 . 1 . . . A 18 ALA HB2 . 34033 1
145 . 1 1 19 19 ALA HB3 H 1 1.521 0.005 . 1 . . . A 18 ALA HB3 . 34033 1
146 . 1 1 19 19 ALA N N 15 121.386 0.000 . 1 . . . A 18 ALA N . 34033 1
147 . 1 1 20 20 LYS H H 1 8.045 0.002 . 1 . . . A 19 LYS H . 34033 1
148 . 1 1 20 20 LYS HA H 1 4.210 0.011 . 1 . . . A 19 LYS HA . 34033 1
149 . 1 1 20 20 LYS HB2 H 1 1.972 0.002 . 2 . . . A 19 LYS HB2 . 34033 1
150 . 1 1 20 20 LYS HB3 H 1 2.045 0.002 . 2 . . . A 19 LYS HB3 . 34033 1
151 . 1 1 20 20 LYS HG2 H 1 1.523 0.007 . 2 . . . A 19 LYS HG2 . 34033 1
152 . 1 1 20 20 LYS HG3 H 1 1.526 0.007 . 2 . . . A 19 LYS HG3 . 34033 1
153 . 1 1 20 20 LYS N N 15 119.950 0.000 . 1 . . . A 19 LYS N . 34033 1
154 . 1 1 21 21 4PH H H 1 7.965 0.006 . 1 . . . A 20 4PH H . 34033 1
155 . 1 1 21 21 4PH H33 H 1 2.289 0.003 . 1 . . . A 20 4PH H33 . 34033 1
156 . 1 1 21 21 4PH H33A H 1 2.289 0.003 . 1 . . . A 20 4PH H33A . 34033 1
157 . 1 1 21 21 4PH H33B H 1 2.289 0.003 . 1 . . . A 20 4PH H33B . 34033 1
158 . 1 1 21 21 4PH C33 C 13 25.153 0.000 . 1 . . . A 20 4PH C33 . 34033 1
159 . 1 1 21 21 4PH N N 15 117.996 0.000 . 1 . . . A 20 4PH N . 34033 1
160 . 1 1 21 21 4PH CA C 13 61.713 0.000 . 1 . . . A 20 4PH CA . 34033 1
161 . 1 1 21 21 4PH CD1 C 13 133.980 0.000 . 1 . . . A 20 4PH CD1 . 34033 1
162 . 1 1 21 21 4PH CD2 C 13 133.980 0.000 . 1 . . . A 20 4PH CD2 . 34033 1
163 . 1 1 21 21 4PH CE1 C 13 134.191 0.000 . 1 . . . A 20 4PH CE1 . 34033 1
164 . 1 1 21 21 4PH CE2 C 13 134.191 0.000 . 1 . . . A 20 4PH CE2 . 34033 1
165 . 1 1 21 21 4PH HA H 1 4.588 0.002 . 1 . . . A 20 4PH HA . 34033 1
166 . 1 1 21 21 4PH HB2 H 1 3.249 0.005 . 2 . . . A 20 4PH HB2 . 34033 1
167 . 1 1 21 21 4PH HB3 H 1 3.174 0.009 . 2 . . . A 20 4PH HB3 . 34033 1
168 . 1 1 21 21 4PH HD1 H 1 7.194 0.003 . 1 . . . A 20 4PH HD1 . 34033 1
169 . 1 1 21 21 4PH HD2 H 1 7.195 0.003 . 1 . . . A 20 4PH HD2 . 34033 1
170 . 1 1 21 21 4PH HE1 H 1 6.974 0.003 . 1 . . . A 20 4PH HE1 . 34033 1
171 . 1 1 21 21 4PH HE2 H 1 6.975 0.005 . 1 . . . A 20 4PH HE2 . 34033 1
172 . 1 1 22 22 GLN H H 1 8.019 0.013 . 1 . . . A 21 GLN H . 34033 1
173 . 1 1 22 22 GLN HA H 1 3.705 0.005 . 1 . . . A 21 GLN HA . 34033 1
174 . 1 1 22 22 GLN HB2 H 1 2.193 0.014 . 2 . . . A 21 GLN HB2 . 34033 1
175 . 1 1 22 22 GLN HB3 H 1 2.180 0.007 . 2 . . . A 21 GLN HB3 . 34033 1
176 . 1 1 22 22 GLN HG2 H 1 2.688 0.000 . 2 . . . A 21 GLN HG2 . 34033 1
177 . 1 1 22 22 GLN HG3 H 1 2.620 0.002 . 2 . . . A 21 GLN HG3 . 34033 1
178 . 1 1 22 22 GLN HE21 H 1 7.092 0.002 . 1 . . . A 21 GLN HE21 . 34033 1
179 . 1 1 22 22 GLN HE22 H 1 7.773 0.002 . 1 . . . A 21 GLN HE22 . 34033 1
180 . 1 1 22 22 GLN CA C 13 60.682 0.000 . 1 . . . A 21 GLN CA . 34033 1
181 . 1 1 22 22 GLN N N 15 114.882 0.000 . 1 . . . A 21 GLN N . 34033 1
182 . 1 1 22 22 GLN NE2 N 15 111.268 0.010 . 1 . . . A 21 GLN NE2 . 34033 1
183 . 1 1 23 23 ALA H H 1 7.974 0.003 . 1 . . . A 22 ALA H . 34033 1
184 . 1 1 23 23 ALA HA H 1 4.235 0.002 . 1 . . . A 22 ALA HA . 34033 1
185 . 1 1 23 23 ALA HB1 H 1 1.563 0.004 . 1 . . . A 22 ALA HB1 . 34033 1
186 . 1 1 23 23 ALA HB2 H 1 1.563 0.004 . 1 . . . A 22 ALA HB2 . 34033 1
187 . 1 1 23 23 ALA HB3 H 1 1.563 0.004 . 1 . . . A 22 ALA HB3 . 34033 1
188 . 1 1 23 23 ALA CB C 13 19.965 0.000 . 1 . . . A 22 ALA CB . 34033 1
189 . 1 1 23 23 ALA N N 15 122.202 0.000 . 1 . . . A 22 ALA N . 34033 1
190 . 1 1 24 24 ASP H H 1 9.186 0.002 . 1 . . . A 23 ASP H . 34033 1
191 . 1 1 24 24 ASP HA H 1 4.427 0.002 . 1 . . . A 23 ASP HA . 34033 1
192 . 1 1 24 24 ASP HB2 H 1 2.845 0.006 . 2 . . . A 23 ASP HB2 . 34033 1
193 . 1 1 24 24 ASP HB3 H 1 2.475 0.005 . 2 . . . A 23 ASP HB3 . 34033 1
194 . 1 1 24 24 ASP N N 15 121.250 0.000 . 1 . . . A 23 ASP N . 34033 1
195 . 1 1 25 25 LEU H H 1 9.086 0.003 . 1 . . . A 24 LEU H . 34033 1
196 . 1 1 25 25 LEU HA H 1 3.916 0.002 . 1 . . . A 24 LEU HA . 34033 1
197 . 1 1 25 25 LEU HB2 H 1 1.571 0.008 . 2 . . . A 24 LEU HB2 . 34033 1
198 . 1 1 25 25 LEU HB3 H 1 0.931 0.003 . 2 . . . A 24 LEU HB3 . 34033 1
199 . 1 1 25 25 LEU HD11 H 1 0.807 0.003 . 2 . . . A 24 LEU HD11 . 34033 1
200 . 1 1 25 25 LEU HD12 H 1 0.807 0.003 . 2 . . . A 24 LEU HD12 . 34033 1
201 . 1 1 25 25 LEU HD13 H 1 0.807 0.003 . 2 . . . A 24 LEU HD13 . 34033 1
202 . 1 1 25 25 LEU HD21 H 1 0.809 0.002 . 2 . . . A 24 LEU HD21 . 34033 1
203 . 1 1 25 25 LEU HD22 H 1 0.809 0.002 . 2 . . . A 24 LEU HD22 . 34033 1
204 . 1 1 25 25 LEU HD23 H 1 0.809 0.002 . 2 . . . A 24 LEU HD23 . 34033 1
205 . 1 1 25 25 LEU CA C 13 59.713 0.000 . 1 . . . A 24 LEU CA . 34033 1
206 . 1 1 25 25 LEU N N 15 123.895 0.000 . 1 . . . A 24 LEU N . 34033 1
207 . 1 1 26 26 ALA H H 1 7.811 0.002 . 1 . . . A 25 ALA H . 34033 1
208 . 1 1 26 26 ALA HA H 1 4.200 0.001 . 1 . . . A 25 ALA HA . 34033 1
209 . 1 1 26 26 ALA HB1 H 1 1.522 0.006 . 1 . . . A 25 ALA HB1 . 34033 1
210 . 1 1 26 26 ALA HB2 H 1 1.522 0.006 . 1 . . . A 25 ALA HB2 . 34033 1
211 . 1 1 26 26 ALA HB3 H 1 1.522 0.006 . 1 . . . A 25 ALA HB3 . 34033 1
212 . 1 1 26 26 ALA N N 15 120.618 0.000 . 1 . . . A 25 ALA N . 34033 1
213 . 1 1 27 27 LYS H H 1 7.931 0.003 . 1 . . . A 26 LYS H . 34033 1
214 . 1 1 27 27 LYS HA H 1 4.108 0.006 . 1 . . . A 26 LYS HA . 34033 1
215 . 1 1 27 27 LYS HB2 H 1 1.928 0.007 . 2 . . . A 26 LYS HB2 . 34033 1
216 . 1 1 27 27 LYS HB3 H 1 2.018 0.007 . 2 . . . A 26 LYS HB3 . 34033 1
217 . 1 1 27 27 LYS HG2 H 1 1.521 0.007 . 2 . . . A 26 LYS HG2 . 34033 1
218 . 1 1 27 27 LYS HG3 H 1 1.520 0.008 . 2 . . . A 26 LYS HG3 . 34033 1
219 . 1 1 27 27 LYS N N 15 118.772 0.000 . 1 . . . A 26 LYS N . 34033 1
220 . 1 1 28 28 4PH H H 1 8.198 0.003 . 1 . . . A 27 4PH H . 34033 1
221 . 1 1 28 28 4PH H33 H 1 2.338 0.001 . 1 . . . A 27 4PH H33 . 34033 1
222 . 1 1 28 28 4PH H33A H 1 2.338 0.001 . 1 . . . A 27 4PH H33A . 34033 1
223 . 1 1 28 28 4PH H33B H 1 2.338 0.001 . 1 . . . A 27 4PH H33B . 34033 1
224 . 1 1 28 28 4PH C33 C 13 25.846 0.000 . 1 . . . A 27 4PH C33 . 34033 1
225 . 1 1 28 28 4PH N N 15 119.122 0.000 . 1 . . . A 27 4PH N . 34033 1
226 . 1 1 28 28 4PH CD1 C 13 133.969 0.000 . 1 . . . A 27 4PH CD1 . 34033 1
227 . 1 1 28 28 4PH CD2 C 13 133.969 0.000 . 1 . . . A 27 4PH CD2 . 34033 1
228 . 1 1 28 28 4PH CE1 C 13 134.237 0.000 . 1 . . . A 27 4PH CE1 . 34033 1
229 . 1 1 28 28 4PH CE2 C 13 134.237 0.000 . 1 . . . A 27 4PH CE2 . 34033 1
230 . 1 1 28 28 4PH HA H 1 4.444 0.007 . 1 . . . A 27 4PH HA . 34033 1
231 . 1 1 28 28 4PH HB2 H 1 3.249 0.004 . 2 . . . A 27 4PH HB2 . 34033 1
232 . 1 1 28 28 4PH HB3 H 1 3.317 0.002 . 2 . . . A 27 4PH HB3 . 34033 1
233 . 1 1 28 28 4PH HD1 H 1 7.066 0.005 . 1 . . . A 27 4PH HD1 . 34033 1
234 . 1 1 28 28 4PH HD2 H 1 7.065 0.005 . 1 . . . A 27 4PH HD2 . 34033 1
235 . 1 1 28 28 4PH HE1 H 1 7.038 0.005 . 1 . . . A 27 4PH HE1 . 34033 1
236 . 1 1 28 28 4PH HE2 H 1 7.038 0.004 . 1 . . . A 27 4PH HE2 . 34033 1
237 . 1 1 29 29 GLN H H 1 8.321 0.002 . 1 . . . A 28 GLN H . 34033 1
238 . 1 1 29 29 GLN HA H 1 3.641 0.003 . 1 . . . A 28 GLN HA . 34033 1
239 . 1 1 29 29 GLN HB2 H 1 2.050 0.003 . 2 . . . A 28 GLN HB2 . 34033 1
240 . 1 1 29 29 GLN HB3 H 1 2.184 0.003 . 2 . . . A 28 GLN HB3 . 34033 1
241 . 1 1 29 29 GLN HG2 H 1 2.561 0.011 . 2 . . . A 28 GLN HG2 . 34033 1
242 . 1 1 29 29 GLN HG3 H 1 2.681 0.015 . 2 . . . A 28 GLN HG3 . 34033 1
243 . 1 1 29 29 GLN HE21 H 1 7.490 0.015 . 1 . . . A 28 GLN HE21 . 34033 1
244 . 1 1 29 29 GLN HE22 H 1 6.997 0.003 . 1 . . . A 28 GLN HE22 . 34033 1
245 . 1 1 29 29 GLN CA C 13 60.727 0.000 . 1 . . . A 28 GLN CA . 34033 1
246 . 1 1 29 29 GLN N N 15 115.082 0.000 . 1 . . . A 28 GLN N . 34033 1
247 . 1 1 29 29 GLN NE2 N 15 109.316 0.002 . 1 . . . A 28 GLN NE2 . 34033 1
248 . 1 1 30 30 LYS H H 1 7.708 0.002 . 1 . . . A 29 LYS H . 34033 1
249 . 1 1 30 30 LYS HA H 1 4.099 0.004 . 1 . . . A 29 LYS HA . 34033 1
250 . 1 1 30 30 LYS HB2 H 1 1.906 0.002 . 2 . . . A 29 LYS HB2 . 34033 1
251 . 1 1 30 30 LYS HB3 H 1 2.046 0.006 . 2 . . . A 29 LYS HB3 . 34033 1
252 . 1 1 30 30 LYS N N 15 120.479 0.000 . 1 . . . A 29 LYS N . 34033 1
253 . 1 1 31 31 ASP H H 1 8.935 0.002 . 1 . . . A 30 ASP H . 34033 1
254 . 1 1 31 31 ASP HA H 1 4.325 0.007 . 1 . . . A 30 ASP HA . 34033 1
255 . 1 1 31 31 ASP HB2 H 1 2.756 0.003 . 2 . . . A 30 ASP HB2 . 34033 1
256 . 1 1 31 31 ASP HB3 H 1 2.525 0.003 . 2 . . . A 30 ASP HB3 . 34033 1
257 . 1 1 31 31 ASP N N 15 119.619 0.000 . 1 . . . A 30 ASP N . 34033 1
258 . 1 1 32 32 LEU H H 1 8.709 0.003 . 1 . . . A 31 LEU H . 34033 1
259 . 1 1 32 32 LEU HA H 1 3.840 0.003 . 1 . . . A 31 LEU HA . 34033 1
260 . 1 1 32 32 LEU HB2 H 1 1.481 0.002 . 2 . . . A 31 LEU HB2 . 34033 1
261 . 1 1 32 32 LEU HB3 H 1 1.381 0.001 . 2 . . . A 31 LEU HB3 . 34033 1
262 . 1 1 32 32 LEU HD11 H 1 1.013 0.004 . 2 . . . A 31 LEU HD11 . 34033 1
263 . 1 1 32 32 LEU HD12 H 1 1.013 0.004 . 2 . . . A 31 LEU HD12 . 34033 1
264 . 1 1 32 32 LEU HD13 H 1 1.013 0.004 . 2 . . . A 31 LEU HD13 . 34033 1
265 . 1 1 32 32 LEU HD21 H 1 0.762 0.003 . 2 . . . A 31 LEU HD21 . 34033 1
266 . 1 1 32 32 LEU HD22 H 1 0.762 0.003 . 2 . . . A 31 LEU HD22 . 34033 1
267 . 1 1 32 32 LEU HD23 H 1 0.762 0.003 . 2 . . . A 31 LEU HD23 . 34033 1
268 . 1 1 32 32 LEU CA C 13 59.492 0.000 . 1 . . . A 31 LEU CA . 34033 1
269 . 1 1 32 32 LEU N N 15 120.711 0.000 . 1 . . . A 31 LEU N . 34033 1
270 . 1 1 33 33 ALA H H 1 7.600 0.002 . 1 . . . A 32 ALA H . 34033 1
271 . 1 1 33 33 ALA HA H 1 4.111 0.002 . 1 . . . A 32 ALA HA . 34033 1
272 . 1 1 33 33 ALA HB1 H 1 1.509 0.003 . 1 . . . A 32 ALA HB1 . 34033 1
273 . 1 1 33 33 ALA HB2 H 1 1.509 0.003 . 1 . . . A 32 ALA HB2 . 34033 1
274 . 1 1 33 33 ALA HB3 H 1 1.509 0.003 . 1 . . . A 32 ALA HB3 . 34033 1
275 . 1 1 33 33 ALA N N 15 121.106 0.000 . 1 . . . A 32 ALA N . 34033 1
276 . 1 1 34 34 ASP H H 1 8.161 0.002 . 1 . . . A 33 ASP H . 34033 1
277 . 1 1 34 34 ASP HA H 1 4.433 0.001 . 1 . . . A 33 ASP HA . 34033 1
278 . 1 1 34 34 ASP HB2 H 1 2.677 0.007 . 2 . . . A 33 ASP HB2 . 34033 1
279 . 1 1 34 34 ASP HB3 H 1 2.679 0.004 . 2 . . . A 33 ASP HB3 . 34033 1
280 . 1 1 34 34 ASP N N 15 116.322 0.000 . 1 . . . A 33 ASP N . 34033 1
281 . 1 1 35 35 4PH H H 1 7.976 0.003 . 1 . . . A 34 4PH H . 34033 1
282 . 1 1 35 35 4PH H33 H 1 2.285 0.005 . 1 . . . A 34 4PH H33 . 34033 1
283 . 1 1 35 35 4PH H33A H 1 2.285 0.005 . 1 . . . A 34 4PH H33A . 34033 1
284 . 1 1 35 35 4PH H33B H 1 2.285 0.005 . 1 . . . A 34 4PH H33B . 34033 1
285 . 1 1 35 35 4PH C33 C 13 25.271 0.000 . 1 . . . A 34 4PH C33 . 34033 1
286 . 1 1 35 35 4PH N N 15 119.991 0.000 . 1 . . . A 34 4PH N . 34033 1
287 . 1 1 35 35 4PH CD1 C 13 134.080 0.000 . 1 . . . A 34 4PH CD1 . 34033 1
288 . 1 1 35 35 4PH CD2 C 13 134.080 0.000 . 1 . . . A 34 4PH CD2 . 34033 1
289 . 1 1 35 35 4PH CE1 C 13 134.034 0.000 . 1 . . . A 34 4PH CE1 . 34033 1
290 . 1 1 35 35 4PH CE2 C 13 134.034 0.000 . 1 . . . A 34 4PH CE2 . 34033 1
291 . 1 1 35 35 4PH HA H 1 4.235 0.007 . 1 . . . A 34 4PH HA . 34033 1
292 . 1 1 35 35 4PH HB2 H 1 3.197 0.005 . 2 . . . A 34 4PH HB2 . 34033 1
293 . 1 1 35 35 4PH HB3 H 1 3.092 0.004 . 2 . . . A 34 4PH HB3 . 34033 1
294 . 1 1 35 35 4PH HD1 H 1 7.186 0.007 . 1 . . . A 34 4PH HD1 . 34033 1
295 . 1 1 35 35 4PH HD2 H 1 7.189 0.004 . 1 . . . A 34 4PH HD2 . 34033 1
296 . 1 1 35 35 4PH HE1 H 1 7.168 0.004 . 1 . . . A 34 4PH HE1 . 34033 1
297 . 1 1 35 35 4PH HE2 H 1 7.167 0.004 . 1 . . . A 34 4PH HE2 . 34033 1
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