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 34032
_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 34032 1
2 '2D 1H-1H NOESY' . . isotropic 34032 1
3 '2D 1H-1H TOCSY' . . isotropic 34032 1
4 '2D 1H-15N HSQC' . . isotropic 34032 1
5 '2D 1H-13C HSQC' . . isotropic 34032 1
6 '2D DQF-COSY' . . isotropic 34032 1
7 '2D 1H-1H NOESY' . . isotropic 34032 1
8 '2D 1H-1H NOESY' . . isotropic 34032 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 2.087 0.002 . 1 . . . A 0 ACE H1 . 34032 1
2 . 1 1 1 1 ACE H2 H 1 2.087 0.002 . 1 . . . A 0 ACE H2 . 34032 1
3 . 1 1 1 1 ACE H3 H 1 2.087 0.002 . 1 . . . A 0 ACE H3 . 34032 1
4 . 1 1 1 1 ACE CH3 C 13 25.987 0.000 . 1 . . . A 0 ACE CH3 . 34032 1
5 . 1 1 2 2 PRO HA H 1 3.496 0.001 . 1 . . . A 1 PRO HA . 34032 1
6 . 1 1 2 2 PRO HB2 H 1 1.855 0.007 . 2 . . . A 1 PRO HB2 . 34032 1
7 . 1 1 2 2 PRO HB3 H 1 1.700 0.004 . 2 . . . A 1 PRO HB3 . 34032 1
8 . 1 1 2 2 PRO HG2 H 1 1.861 0.005 . 2 . . . A 1 PRO HG2 . 34032 1
9 . 1 1 2 2 PRO HG3 H 1 1.861 0.005 . 2 . . . A 1 PRO HG3 . 34032 1
10 . 1 1 2 2 PRO HD2 H 1 3.441 0.002 . 2 . . . A 1 PRO HD2 . 34032 1
11 . 1 1 2 2 PRO HD3 H 1 3.564 0.002 . 2 . . . A 1 PRO HD3 . 34032 1
12 . 1 1 2 2 PRO CA C 13 62.471 0.000 . 1 . . . A 1 PRO CA . 34032 1
13 . 1 1 2 2 PRO CD C 13 53.074 0.080 . 1 . . . A 1 PRO CD . 34032 1
14 . 1 1 3 3 PRO HA H 1 4.515 0.001 . 1 . . . A 2 PRO HA . 34032 1
15 . 1 1 3 3 PRO HB2 H 1 2.081 0.004 . 2 . . . A 2 PRO HB2 . 34032 1
16 . 1 1 3 3 PRO HB3 H 1 2.442 0.005 . 2 . . . A 2 PRO HB3 . 34032 1
17 . 1 1 3 3 PRO HG2 H 1 1.612 0.008 . 2 . . . A 2 PRO HG2 . 34032 1
18 . 1 1 3 3 PRO HG3 H 1 1.613 0.006 . 2 . . . A 2 PRO HG3 . 34032 1
19 . 1 1 3 3 PRO HD2 H 1 3.477 0.003 . 2 . . . A 2 PRO HD2 . 34032 1
20 . 1 1 3 3 PRO HD3 H 1 3.077 0.008 . 2 . . . A 2 PRO HD3 . 34032 1
21 . 1 1 4 4 THR H H 1 8.676 0.002 . 1 . . . A 3 THR H . 34032 1
22 . 1 1 4 4 THR HA H 1 4.112 0.002 . 1 . . . A 3 THR HA . 34032 1
23 . 1 1 4 4 THR HB H 1 3.939 0.003 . 1 . . . A 3 THR HB . 34032 1
24 . 1 1 4 4 THR HG21 H 1 1.194 0.003 . 1 . . . A 3 THR HG21 . 34032 1
25 . 1 1 4 4 THR HG22 H 1 1.194 0.003 . 1 . . . A 3 THR HG22 . 34032 1
26 . 1 1 4 4 THR HG23 H 1 1.194 0.003 . 1 . . . A 3 THR HG23 . 34032 1
27 . 1 1 4 4 THR CA C 13 64.284 0.000 . 1 . . . A 3 THR CA . 34032 1
28 . 1 1 4 4 THR CB C 13 72.155 0.000 . 1 . . . A 3 THR CB . 34032 1
29 . 1 1 4 4 THR CG2 C 13 23.790 0.000 . 1 . . . A 3 THR CG2 . 34032 1
30 . 1 1 4 4 THR N N 15 117.149 0.000 . 1 . . . A 3 THR N . 34032 1
31 . 1 1 5 5 LYS H H 1 8.804 0.011 . 1 . . . A 4 LYS H . 34032 1
32 . 1 1 5 5 LYS HA H 1 2.949 0.004 . 1 . . . A 4 LYS HA . 34032 1
33 . 1 1 5 5 LYS HB2 H 1 1.076 0.005 . 2 . . . A 4 LYS HB2 . 34032 1
34 . 1 1 5 5 LYS HB3 H 1 1.140 0.000 . 2 . . . A 4 LYS HB3 . 34032 1
35 . 1 1 5 5 LYS HG2 H 1 1.197 0.006 . 1 . . . A 4 LYS HG2 . 34032 1
36 . 1 1 5 5 LYS HG3 H 1 1.196 0.006 . 1 . . . A 4 LYS HG3 . 34032 1
37 . 1 1 5 5 LYS HD2 H 1 0.603 0.005 . 2 . . . A 4 LYS HD2 . 34032 1
38 . 1 1 5 5 LYS HD3 H 1 1.517 0.007 . 2 . . . A 4 LYS HD3 . 34032 1
39 . 1 1 5 5 LYS HE2 H 1 2.836 0.001 . 2 . . . A 4 LYS HE2 . 34032 1
40 . 1 1 5 5 LYS HE3 H 1 2.836 0.001 . 2 . . . A 4 LYS HE3 . 34032 1
41 . 1 1 5 5 LYS CA C 13 56.666 0.000 . 1 . . . A 4 LYS CA . 34032 1
42 . 1 1 5 5 LYS N N 15 129.174 0.000 . 1 . . . A 4 LYS N . 34032 1
43 . 1 1 6 6 PRO HA H 1 4.542 0.003 . 1 . . . A 5 PRO HA . 34032 1
44 . 1 1 6 6 PRO HB2 H 1 2.390 0.003 . 2 . . . A 5 PRO HB2 . 34032 1
45 . 1 1 6 6 PRO HB3 H 1 2.116 0.006 . 2 . . . A 5 PRO HB3 . 34032 1
46 . 1 1 6 6 PRO HG2 H 1 1.701 0.004 . 2 . . . A 5 PRO HG2 . 34032 1
47 . 1 1 6 6 PRO HG3 H 1 1.739 0.000 . 2 . . . A 5 PRO HG3 . 34032 1
48 . 1 1 6 6 PRO HD2 H 1 3.259 0.003 . 2 . . . A 5 PRO HD2 . 34032 1
49 . 1 1 6 6 PRO HD3 H 1 3.157 0.004 . 2 . . . A 5 PRO HD3 . 34032 1
50 . 1 1 7 7 THR H H 1 8.768 0.002 . 1 . . . A 6 THR H . 34032 1
51 . 1 1 7 7 THR HA H 1 4.299 0.002 . 1 . . . A 6 THR HA . 34032 1
52 . 1 1 7 7 THR HB H 1 3.941 0.002 . 1 . . . A 6 THR HB . 34032 1
53 . 1 1 7 7 THR HG21 H 1 1.140 0.002 . 1 . . . A 6 THR HG21 . 34032 1
54 . 1 1 7 7 THR HG22 H 1 1.140 0.002 . 1 . . . A 6 THR HG22 . 34032 1
55 . 1 1 7 7 THR HG23 H 1 1.140 0.002 . 1 . . . A 6 THR HG23 . 34032 1
56 . 1 1 7 7 THR CA C 13 63.553 0.000 . 1 . . . A 6 THR CA . 34032 1
57 . 1 1 7 7 THR N N 15 115.782 0.000 . 1 . . . A 6 THR N . 34032 1
58 . 1 1 8 8 LYS H H 1 8.780 0.016 . 1 . . . A 7 LYS H . 34032 1
59 . 1 1 8 8 LYS HA H 1 3.324 0.004 . 1 . . . A 7 LYS HA . 34032 1
60 . 1 1 8 8 LYS HB2 H 1 1.552 0.001 . 1 . . . A 7 LYS HB2 . 34032 1
61 . 1 1 8 8 LYS HG2 H 1 0.992 0.004 . 1 . . . A 7 LYS HG2 . 34032 1
62 . 1 1 8 8 LYS HG3 H 1 0.992 0.004 . 1 . . . A 7 LYS HG3 . 34032 1
63 . 1 1 8 8 LYS HD2 H 1 1.307 0.003 . 2 . . . A 7 LYS HD2 . 34032 1
64 . 1 1 8 8 LYS HD3 H 1 1.411 0.003 . 2 . . . A 7 LYS HD3 . 34032 1
65 . 1 1 8 8 LYS HE2 H 1 2.938 0.004 . 1 . . . A 7 LYS HE2 . 34032 1
66 . 1 1 8 8 LYS HE3 H 1 2.939 0.004 . 1 . . . A 7 LYS HE3 . 34032 1
67 . 1 1 8 8 LYS CA C 13 56.970 0.000 . 1 . . . A 7 LYS CA . 34032 1
68 . 1 1 8 8 LYS N N 15 127.647 0.000 . 1 . . . A 7 LYS N . 34032 1
69 . 1 1 9 9 PRO HA H 1 4.361 0.002 . 1 . . . A 8 PRO HA . 34032 1
70 . 1 1 9 9 PRO HB2 H 1 1.778 0.005 . 2 . . . A 8 PRO HB2 . 34032 1
71 . 1 1 9 9 PRO HB3 H 1 2.158 0.007 . 2 . . . A 8 PRO HB3 . 34032 1
72 . 1 1 9 9 PRO HG2 H 1 1.687 0.013 . 2 . . . A 8 PRO HG2 . 34032 1
73 . 1 1 9 9 PRO HG3 H 1 1.688 0.015 . 2 . . . A 8 PRO HG3 . 34032 1
74 . 1 1 9 9 PRO HD2 H 1 2.819 0.005 . 2 . . . A 8 PRO HD2 . 34032 1
75 . 1 1 9 9 PRO HD3 H 1 2.975 0.013 . 2 . . . A 8 PRO HD3 . 34032 1
76 . 1 1 9 9 PRO CA C 13 64.661 0.000 . 1 . . . A 8 PRO CA . 34032 1
77 . 1 1 10 10 GLY H H 1 8.373 0.001 . 1 . . . A 9 GLY H . 34032 1
78 . 1 1 10 10 GLY HA2 H 1 4.017 0.006 . 2 . . . A 9 GLY HA2 . 34032 1
79 . 1 1 10 10 GLY HA3 H 1 3.883 0.006 . 2 . . . A 9 GLY HA3 . 34032 1
80 . 1 1 10 10 GLY CA C 13 46.234 0.025 . 1 . . . A 9 GLY CA . 34032 1
81 . 1 1 10 10 GLY N N 15 107.116 0.000 . 1 . . . A 9 GLY N . 34032 1
82 . 1 1 11 11 ASP H H 1 8.547 0.001 . 1 . . . A 10 ASP H . 34032 1
83 . 1 1 11 11 ASP HA H 1 4.335 0.007 . 1 . . . A 10 ASP HA . 34032 1
84 . 1 1 11 11 ASP HB2 H 1 2.654 0.008 . 2 . . . A 10 ASP HB2 . 34032 1
85 . 1 1 11 11 ASP HB3 H 1 2.523 0.003 . 2 . . . A 10 ASP HB3 . 34032 1
86 . 1 1 11 11 ASP N N 15 118.154 0.000 . 1 . . . A 10 ASP N . 34032 1
87 . 1 1 12 12 ASN H H 1 8.649 0.001 . 1 . . . A 11 ASN H . 34032 1
88 . 1 1 12 12 ASN HA H 1 4.672 0.001 . 1 . . . A 11 ASN HA . 34032 1
89 . 1 1 12 12 ASN HB2 H 1 2.862 0.002 . 1 . . . A 11 ASN HB2 . 34032 1
90 . 1 1 12 12 ASN HB3 H 1 2.862 0.002 . 1 . . . A 11 ASN HB3 . 34032 1
91 . 1 1 12 12 ASN HD21 H 1 7.725 0.001 . 1 . . . A 11 ASN HD21 . 34032 1
92 . 1 1 12 12 ASN HD22 H 1 7.026 0.000 . 1 . . . A 11 ASN HD22 . 34032 1
93 . 1 1 12 12 ASN CA C 13 54.762 0.000 . 1 . . . A 11 ASN CA . 34032 1
94 . 1 1 12 12 ASN CB C 13 39.575 0.000 . 1 . . . A 11 ASN CB . 34032 1
95 . 1 1 12 12 ASN N N 15 115.114 0.000 . 1 . . . A 11 ASN N . 34032 1
96 . 1 1 12 12 ASN ND2 N 15 112.473 0.003 . 1 . . . A 11 ASN ND2 . 34032 1
97 . 1 1 13 13 ALA H H 1 7.444 0.001 . 1 . . . A 12 ALA H . 34032 1
98 . 1 1 13 13 ALA HA H 1 4.291 0.001 . 1 . . . A 12 ALA HA . 34032 1
99 . 1 1 13 13 ALA HB1 H 1 1.394 0.002 . 1 . . . A 12 ALA HB1 . 34032 1
100 . 1 1 13 13 ALA HB2 H 1 1.394 0.002 . 1 . . . A 12 ALA HB2 . 34032 1
101 . 1 1 13 13 ALA HB3 H 1 1.394 0.002 . 1 . . . A 12 ALA HB3 . 34032 1
102 . 1 1 13 13 ALA CA C 13 54.600 0.000 . 1 . . . A 12 ALA CA . 34032 1
103 . 1 1 13 13 ALA CB C 13 21.874 0.000 . 1 . . . A 12 ALA CB . 34032 1
104 . 1 1 13 13 ALA N N 15 121.220 0.000 . 1 . . . A 12 ALA N . 34032 1
105 . 1 1 14 14 THR H H 1 7.723 0.002 . 1 . . . A 13 THR H . 34032 1
106 . 1 1 14 14 THR HA H 1 4.575 0.001 . 1 . . . A 13 THR HA . 34032 1
107 . 1 1 14 14 THR HB H 1 4.830 0.001 . 1 . . . A 13 THR HB . 34032 1
108 . 1 1 14 14 THR HG21 H 1 1.454 0.001 . 1 . . . A 13 THR HG21 . 34032 1
109 . 1 1 14 14 THR HG22 H 1 1.454 0.001 . 1 . . . A 13 THR HG22 . 34032 1
110 . 1 1 14 14 THR HG23 H 1 1.454 0.001 . 1 . . . A 13 THR HG23 . 34032 1
111 . 1 1 14 14 THR CA C 13 61.786 0.000 . 1 . . . A 13 THR CA . 34032 1
112 . 1 1 14 14 THR CB C 13 70.428 0.000 . 1 . . . A 13 THR CB . 34032 1
113 . 1 1 14 14 THR N N 15 110.544 0.000 . 1 . . . A 13 THR N . 34032 1
114 . 1 1 15 15 PRO HA H 1 4.253 0.002 . 1 . . . A 14 PRO HA . 34032 1
115 . 1 1 15 15 PRO HB2 H 1 1.977 0.005 . 2 . . . A 14 PRO HB2 . 34032 1
116 . 1 1 15 15 PRO HB3 H 1 1.978 0.003 . 2 . . . A 14 PRO HB3 . 34032 1
117 . 1 1 15 15 PRO HG2 H 1 2.261 0.002 . 2 . . . A 14 PRO HG2 . 34032 1
118 . 1 1 15 15 PRO HG3 H 1 2.091 0.004 . 2 . . . A 14 PRO HG3 . 34032 1
119 . 1 1 15 15 PRO HD2 H 1 3.983 0.002 . 2 . . . A 14 PRO HD2 . 34032 1
120 . 1 1 15 15 PRO HD3 H 1 3.925 0.003 . 2 . . . A 14 PRO HD3 . 34032 1
121 . 1 1 15 15 PRO CA C 13 67.795 0.000 . 1 . . . A 14 PRO CA . 34032 1
122 . 1 1 15 15 PRO CD C 13 52.382 0.000 . 1 . . . A 14 PRO CD . 34032 1
123 . 1 1 16 16 GLU H H 1 9.071 0.001 . 1 . . . A 15 GLU H . 34032 1
124 . 1 1 16 16 GLU HA H 1 4.162 0.004 . 1 . . . A 15 GLU HA . 34032 1
125 . 1 1 16 16 GLU HB2 H 1 2.140 0.002 . 2 . . . A 15 GLU HB2 . 34032 1
126 . 1 1 16 16 GLU HB3 H 1 1.970 0.002 . 2 . . . A 15 GLU HB3 . 34032 1
127 . 1 1 16 16 GLU HG2 H 1 2.418 0.013 . 2 . . . A 15 GLU HG2 . 34032 1
128 . 1 1 16 16 GLU HG3 H 1 2.339 0.001 . 2 . . . A 15 GLU HG3 . 34032 1
129 . 1 1 16 16 GLU CG C 13 38.681 0.022 . 1 . . . A 15 GLU CG . 34032 1
130 . 1 1 16 16 GLU N N 15 117.006 0.000 . 1 . . . A 15 GLU N . 34032 1
131 . 1 1 17 17 LYS H H 1 7.873 0.001 . 1 . . . A 16 LYS H . 34032 1
132 . 1 1 17 17 LYS HA H 1 4.180 0.018 . 1 . . . A 16 LYS HA . 34032 1
133 . 1 1 17 17 LYS HB2 H 1 1.837 0.004 . 2 . . . A 16 LYS HB2 . 34032 1
134 . 1 1 17 17 LYS HB3 H 1 2.077 0.002 . 2 . . . A 16 LYS HB3 . 34032 1
135 . 1 1 17 17 LYS N N 15 121.320 0.000 . 1 . . . A 16 LYS N . 34032 1
136 . 1 1 18 18 LEU H H 1 8.407 0.007 . 1 . . . A 17 LEU H . 34032 1
137 . 1 1 18 18 LEU HA H 1 4.145 0.004 . 1 . . . A 17 LEU HA . 34032 1
138 . 1 1 18 18 LEU HB2 H 1 1.878 0.002 . 2 . . . A 17 LEU HB2 . 34032 1
139 . 1 1 18 18 LEU HB3 H 1 1.658 0.004 . 2 . . . A 17 LEU HB3 . 34032 1
140 . 1 1 18 18 LEU HD11 H 1 0.867 0.006 . 2 . . . A 17 LEU HD11 . 34032 1
141 . 1 1 18 18 LEU HD12 H 1 0.867 0.006 . 2 . . . A 17 LEU HD12 . 34032 1
142 . 1 1 18 18 LEU HD13 H 1 0.867 0.006 . 2 . . . A 17 LEU HD13 . 34032 1
143 . 1 1 18 18 LEU HD21 H 1 0.891 0.003 . 2 . . . A 17 LEU HD21 . 34032 1
144 . 1 1 18 18 LEU HD22 H 1 0.891 0.003 . 2 . . . A 17 LEU HD22 . 34032 1
145 . 1 1 18 18 LEU HD23 H 1 0.891 0.003 . 2 . . . A 17 LEU HD23 . 34032 1
146 . 1 1 18 18 LEU N N 15 121.053 0.000 . 1 . . . A 17 LEU N . 34032 1
147 . 1 1 19 19 ALA H H 1 8.426 0.005 . 1 . . . A 18 ALA H . 34032 1
148 . 1 1 19 19 ALA HA H 1 4.249 0.004 . 1 . . . A 18 ALA HA . 34032 1
149 . 1 1 19 19 ALA HB1 H 1 1.517 0.003 . 1 . . . A 18 ALA HB1 . 34032 1
150 . 1 1 19 19 ALA HB2 H 1 1.517 0.003 . 1 . . . A 18 ALA HB2 . 34032 1
151 . 1 1 19 19 ALA HB3 H 1 1.517 0.003 . 1 . . . A 18 ALA HB3 . 34032 1
152 . 1 1 19 19 ALA N N 15 121.613 0.000 . 1 . . . A 18 ALA N . 34032 1
153 . 1 1 20 20 LYS H H 1 8.036 0.002 . 1 . . . A 19 LYS H . 34032 1
154 . 1 1 20 20 LYS HA H 1 4.207 0.003 . 1 . . . A 19 LYS HA . 34032 1
155 . 1 1 20 20 LYS HB2 H 1 1.970 0.002 . 2 . . . A 19 LYS HB2 . 34032 1
156 . 1 1 20 20 LYS HB3 H 1 2.036 0.004 . 2 . . . A 19 LYS HB3 . 34032 1
157 . 1 1 20 20 LYS N N 15 120.275 0.000 . 1 . . . A 19 LYS N . 34032 1
158 . 1 1 21 21 0A1 N N 15 118.290 0.000 . 1 . . . A 20 0A1 N . 34032 1
159 . 1 1 21 21 0A1 CD1 C 13 135.192 0.000 . 1 . . . A 20 0A1 CD1 . 34032 1
160 . 1 1 21 21 0A1 CD2 C 13 135.192 0.000 . 1 . . . A 20 0A1 CD2 . 34032 1
161 . 1 1 21 21 0A1 CE1 C 13 118.285 0.000 . 1 . . . A 20 0A1 CE1 . 34032 1
162 . 1 1 21 21 0A1 CE2 C 13 118.285 0.000 . 1 . . . A 20 0A1 CE2 . 34032 1
163 . 1 1 21 21 0A1 CM C 13 59.823 0.000 . 1 . . . A 20 0A1 CM . 34032 1
164 . 1 1 21 21 0A1 HA H 1 4.591 0.002 . 1 . . . A 20 0A1 HA . 34032 1
165 . 1 1 21 21 0A1 HBC1 H 1 3.035 0.000 . 1 . . . A 20 0A1 HBC1 . 34032 1
166 . 1 1 21 21 0A1 HBC2 H 1 3.193 0.038 . 1 . . . A 20 0A1 HBC2 . 34032 1
167 . 1 1 21 21 0A1 HD1 H 1 7.254 0.003 . 1 . . . A 20 0A1 HD1 . 34032 1
168 . 1 1 21 21 0A1 HD2 H 1 7.253 0.003 . 1 . . . A 20 0A1 HD2 . 34032 1
169 . 1 1 21 21 0A1 HE1 H 1 6.716 0.003 . 1 . . . A 20 0A1 HE1 . 34032 1
170 . 1 1 21 21 0A1 HE2 H 1 6.717 0.004 . 1 . . . A 20 0A1 HE2 . 34032 1
171 . 1 1 21 21 0A1 HMC1 H 1 3.768 0.001 . 1 . . . A 20 0A1 HMC1 . 34032 1
172 . 1 1 21 21 0A1 HMC2 H 1 3.768 0.001 . 1 . . . A 20 0A1 HMC2 . 34032 1
173 . 1 1 21 21 0A1 HMC3 H 1 3.768 0.001 . 1 . . . A 20 0A1 HMC3 . 34032 1
174 . 1 1 22 22 GLN H H 1 8.092 0.001 . 1 . . . A 21 GLN H . 34032 1
175 . 1 1 22 22 GLN HA H 1 3.661 0.002 . 1 . . . A 21 GLN HA . 34032 1
176 . 1 1 22 22 GLN HB2 H 1 2.204 0.006 . 2 . . . A 21 GLN HB2 . 34032 1
177 . 1 1 22 22 GLN HB3 H 1 2.171 0.011 . 2 . . . A 21 GLN HB3 . 34032 1
178 . 1 1 22 22 GLN HG2 H 1 2.624 0.002 . 1 . . . A 21 GLN HG2 . 34032 1
179 . 1 1 22 22 GLN HG3 H 1 2.624 0.002 . 1 . . . A 21 GLN HG3 . 34032 1
180 . 1 1 22 22 GLN HE21 H 1 7.761 0.001 . 1 . . . A 21 GLN HE21 . 34032 1
181 . 1 1 22 22 GLN HE22 H 1 7.097 0.001 . 1 . . . A 21 GLN HE22 . 34032 1
182 . 1 1 22 22 GLN CA C 13 60.753 0.000 . 1 . . . A 21 GLN CA . 34032 1
183 . 1 1 22 22 GLN N N 15 115.760 0.000 . 1 . . . A 21 GLN N . 34032 1
184 . 1 1 22 22 GLN NE2 N 15 111.415 0.005 . 1 . . . A 21 GLN NE2 . 34032 1
185 . 1 1 23 23 ALA H H 1 7.985 0.006 . 1 . . . A 22 ALA H . 34032 1
186 . 1 1 23 23 ALA HA H 1 4.236 0.003 . 1 . . . A 22 ALA HA . 34032 1
187 . 1 1 23 23 ALA HB1 H 1 1.563 0.003 . 1 . . . A 22 ALA HB1 . 34032 1
188 . 1 1 23 23 ALA HB2 H 1 1.563 0.003 . 1 . . . A 22 ALA HB2 . 34032 1
189 . 1 1 23 23 ALA HB3 H 1 1.563 0.003 . 1 . . . A 22 ALA HB3 . 34032 1
190 . 1 1 23 23 ALA CB C 13 19.947 0.000 . 1 . . . A 22 ALA CB . 34032 1
191 . 1 1 23 23 ALA N N 15 122.593 0.000 . 1 . . . A 22 ALA N . 34032 1
192 . 1 1 24 24 ASP H H 1 9.223 0.001 . 1 . . . A 23 ASP H . 34032 1
193 . 1 1 24 24 ASP HA H 1 4.426 0.004 . 1 . . . A 23 ASP HA . 34032 1
194 . 1 1 24 24 ASP HB2 H 1 2.850 0.002 . 2 . . . A 23 ASP HB2 . 34032 1
195 . 1 1 24 24 ASP HB3 H 1 2.465 0.015 . 2 . . . A 23 ASP HB3 . 34032 1
196 . 1 1 24 24 ASP N N 15 121.498 0.000 . 1 . . . A 23 ASP N . 34032 1
197 . 1 1 25 25 LEU H H 1 9.145 0.001 . 1 . . . A 24 LEU H . 34032 1
198 . 1 1 25 25 LEU HA H 1 3.916 0.004 . 1 . . . A 24 LEU HA . 34032 1
199 . 1 1 25 25 LEU HB2 H 1 1.424 0.022 . 2 . . . A 24 LEU HB2 . 34032 1
200 . 1 1 25 25 LEU HB3 H 1 1.597 0.005 . 2 . . . A 24 LEU HB3 . 34032 1
201 . 1 1 25 25 LEU HD11 H 1 0.867 0.002 . 2 . . . A 24 LEU HD11 . 34032 1
202 . 1 1 25 25 LEU HD12 H 1 0.867 0.002 . 2 . . . A 24 LEU HD12 . 34032 1
203 . 1 1 25 25 LEU HD13 H 1 0.867 0.002 . 2 . . . A 24 LEU HD13 . 34032 1
204 . 1 1 25 25 LEU HD21 H 1 0.788 0.008 . 2 . . . A 24 LEU HD21 . 34032 1
205 . 1 1 25 25 LEU HD22 H 1 0.788 0.008 . 2 . . . A 24 LEU HD22 . 34032 1
206 . 1 1 25 25 LEU HD23 H 1 0.788 0.008 . 2 . . . A 24 LEU HD23 . 34032 1
207 . 1 1 25 25 LEU CA C 13 59.793 0.000 . 1 . . . A 24 LEU CA . 34032 1
208 . 1 1 25 25 LEU N N 15 124.356 0.000 . 1 . . . A 24 LEU N . 34032 1
209 . 1 1 26 26 ALA H H 1 7.799 0.001 . 1 . . . A 25 ALA H . 34032 1
210 . 1 1 26 26 ALA HA H 1 4.202 0.000 . 1 . . . A 25 ALA HA . 34032 1
211 . 1 1 26 26 ALA HB1 H 1 1.517 0.003 . 1 . . . A 25 ALA HB1 . 34032 1
212 . 1 1 26 26 ALA HB2 H 1 1.517 0.003 . 1 . . . A 25 ALA HB2 . 34032 1
213 . 1 1 26 26 ALA HB3 H 1 1.517 0.003 . 1 . . . A 25 ALA HB3 . 34032 1
214 . 1 1 26 26 ALA N N 15 121.057 0.000 . 1 . . . A 25 ALA N . 34032 1
215 . 1 1 27 27 LYS H H 1 7.933 0.001 . 1 . . . A 26 LYS H . 34032 1
216 . 1 1 27 27 LYS HA H 1 4.106 0.008 . 1 . . . A 26 LYS HA . 34032 1
217 . 1 1 27 27 LYS HB2 H 1 2.014 0.004 . 2 . . . A 26 LYS HB2 . 34032 1
218 . 1 1 27 27 LYS HB3 H 1 1.929 0.005 . 2 . . . A 26 LYS HB3 . 34032 1
219 . 1 1 27 27 LYS HG2 H 1 1.520 0.002 . 1 . . . A 26 LYS HG2 . 34032 1
220 . 1 1 27 27 LYS HG3 H 1 1.520 0.002 . 1 . . . A 26 LYS HG3 . 34032 1
221 . 1 1 27 27 LYS N N 15 119.219 0.000 . 1 . . . A 26 LYS N . 34032 1
222 . 1 1 28 28 0A1 N N 15 119.392 0.000 . 1 . . . A 27 0A1 N . 34032 1
223 . 1 1 28 28 0A1 CD1 C 13 135.481 0.000 . 1 . . . A 27 0A1 CD1 . 34032 1
224 . 1 1 28 28 0A1 CD2 C 13 135.481 0.000 . 1 . . . A 27 0A1 CD2 . 34032 1
225 . 1 1 28 28 0A1 CE1 C 13 118.440 0.000 . 1 . . . A 27 0A1 CE1 . 34032 1
226 . 1 1 28 28 0A1 CE2 C 13 118.440 0.000 . 1 . . . A 27 0A1 CE2 . 34032 1
227 . 1 1 28 28 0A1 CM C 13 59.874 0.000 . 1 . . . A 27 0A1 CM . 34032 1
228 . 1 1 28 28 0A1 HA H 1 4.429 0.004 . 1 . . . A 27 0A1 HA . 34032 1
229 . 1 1 28 28 0A1 HBC1 H 1 3.321 0.001 . 2 . . . A 27 0A1 HBC1 . 34032 1
230 . 1 1 28 28 0A1 HBC2 H 1 3.256 0.001 . 2 . . . A 27 0A1 HBC2 . 34032 1
231 . 1 1 28 28 0A1 HD1 H 1 7.112 0.003 . 1 . . . A 27 0A1 HD1 . 34032 1
232 . 1 1 28 28 0A1 HD2 H 1 7.111 0.002 . 1 . . . A 27 0A1 HD2 . 34032 1
233 . 1 1 28 28 0A1 HE1 H 1 6.808 0.002 . 1 . . . A 27 0A1 HE1 . 34032 1
234 . 1 1 28 28 0A1 HE2 H 1 6.808 0.002 . 1 . . . A 27 0A1 HE2 . 34032 1
235 . 1 1 28 28 0A1 HMC1 H 1 3.815 0.006 . 1 . . . A 27 0A1 HMC1 . 34032 1
236 . 1 1 28 28 0A1 HMC2 H 1 3.815 0.006 . 1 . . . A 27 0A1 HMC2 . 34032 1
237 . 1 1 28 28 0A1 HMC3 H 1 3.815 0.006 . 1 . . . A 27 0A1 HMC3 . 34032 1
238 . 1 1 29 29 GLN H H 1 8.376 0.001 . 1 . . . A 28 GLN H . 34032 1
239 . 1 1 29 29 GLN HA H 1 3.606 0.003 . 1 . . . A 28 GLN HA . 34032 1
240 . 1 1 29 29 GLN HB2 H 1 2.204 0.006 . 1 . . . A 28 GLN HB2 . 34032 1
241 . 1 1 29 29 GLN HB3 H 1 2.204 0.006 . 1 . . . A 28 GLN HB3 . 34032 1
242 . 1 1 29 29 GLN HG2 H 1 2.705 0.003 . 2 . . . A 28 GLN HG2 . 34032 1
243 . 1 1 29 29 GLN HG3 H 1 2.575 0.003 . 2 . . . A 28 GLN HG3 . 34032 1
244 . 1 1 29 29 GLN HE21 H 1 7.531 0.001 . 1 . . . A 28 GLN HE21 . 34032 1
245 . 1 1 29 29 GLN HE22 H 1 7.017 0.001 . 1 . . . A 28 GLN HE22 . 34032 1
246 . 1 1 29 29 GLN CA C 13 60.777 0.000 . 1 . . . A 28 GLN CA . 34032 1
247 . 1 1 29 29 GLN N N 15 115.966 0.000 . 1 . . . A 28 GLN N . 34032 1
248 . 1 1 29 29 GLN NE2 N 15 109.667 0.009 . 1 . . . A 28 GLN NE2 . 34032 1
249 . 1 1 30 30 LYS H H 1 7.658 0.001 . 1 . . . A 29 LYS H . 34032 1
250 . 1 1 30 30 LYS HA H 1 4.101 0.005 . 1 . . . A 29 LYS HA . 34032 1
251 . 1 1 30 30 LYS HB2 H 1 1.911 0.007 . 2 . . . A 29 LYS HB2 . 34032 1
252 . 1 1 30 30 LYS HB3 H 1 2.052 0.003 . 2 . . . A 29 LYS HB3 . 34032 1
253 . 1 1 30 30 LYS HG2 H 1 1.513 0.005 . 2 . . . A 29 LYS HG2 . 34032 1
254 . 1 1 30 30 LYS HG3 H 1 1.514 0.006 . 2 . . . A 29 LYS HG3 . 34032 1
255 . 1 1 30 30 LYS N N 15 120.923 0.000 . 1 . . . A 29 LYS N . 34032 1
256 . 1 1 31 31 ASP H H 1 9.001 0.002 . 1 . . . A 30 ASP H . 34032 1
257 . 1 1 31 31 ASP HA H 1 4.322 0.003 . 1 . . . A 30 ASP HA . 34032 1
258 . 1 1 31 31 ASP HB2 H 1 2.519 0.002 . 2 . . . A 30 ASP HB2 . 34032 1
259 . 1 1 31 31 ASP HB3 H 1 2.747 0.002 . 2 . . . A 30 ASP HB3 . 34032 1
260 . 1 1 31 31 ASP N N 15 120.000 0.000 . 1 . . . A 30 ASP N . 34032 1
261 . 1 1 32 32 LEU H H 1 8.846 0.001 . 1 . . . A 31 LEU H . 34032 1
262 . 1 1 32 32 LEU HA H 1 3.830 0.007 . 1 . . . A 31 LEU HA . 34032 1
263 . 1 1 32 32 LEU HB2 H 1 1.509 0.007 . 2 . . . A 31 LEU HB2 . 34032 1
264 . 1 1 32 32 LEU HB3 H 1 0.896 0.002 . 2 . . . A 31 LEU HB3 . 34032 1
265 . 1 1 32 32 LEU HD11 H 1 0.752 0.015 . 2 . . . A 31 LEU HD11 . 34032 1
266 . 1 1 32 32 LEU HD12 H 1 0.752 0.015 . 2 . . . A 31 LEU HD12 . 34032 1
267 . 1 1 32 32 LEU HD13 H 1 0.752 0.015 . 2 . . . A 31 LEU HD13 . 34032 1
268 . 1 1 32 32 LEU HD21 H 1 0.791 0.003 . 2 . . . A 31 LEU HD21 . 34032 1
269 . 1 1 32 32 LEU HD22 H 1 0.791 0.003 . 2 . . . A 31 LEU HD22 . 34032 1
270 . 1 1 32 32 LEU HD23 H 1 0.791 0.003 . 2 . . . A 31 LEU HD23 . 34032 1
271 . 1 1 32 32 LEU N N 15 121.342 0.000 . 1 . . . A 31 LEU N . 34032 1
272 . 1 1 33 33 ALA H H 1 7.595 0.001 . 1 . . . A 32 ALA H . 34032 1
273 . 1 1 33 33 ALA HA H 1 4.110 0.003 . 1 . . . A 32 ALA HA . 34032 1
274 . 1 1 33 33 ALA HB1 H 1 1.519 0.002 . 1 . . . A 32 ALA HB1 . 34032 1
275 . 1 1 33 33 ALA HB2 H 1 1.519 0.002 . 1 . . . A 32 ALA HB2 . 34032 1
276 . 1 1 33 33 ALA HB3 H 1 1.519 0.002 . 1 . . . A 32 ALA HB3 . 34032 1
277 . 1 1 33 33 ALA N N 15 121.669 0.000 . 1 . . . A 32 ALA N . 34032 1
278 . 1 1 34 34 ASP H H 1 8.136 0.001 . 1 . . . A 33 ASP H . 34032 1
279 . 1 1 34 34 ASP HA H 1 4.430 0.001 . 1 . . . A 33 ASP HA . 34032 1
280 . 1 1 34 34 ASP HB2 H 1 2.696 0.002 . 1 . . . A 33 ASP HB2 . 34032 1
281 . 1 1 34 34 ASP HB3 H 1 2.696 0.002 . 1 . . . A 33 ASP HB3 . 34032 1
282 . 1 1 34 34 ASP N N 15 116.623 0.000 . 1 . . . A 33 ASP N . 34032 1
283 . 1 1 35 35 0A1 N N 15 120.599 0.000 . 1 . . . A 34 0A1 N . 34032 1
284 . 1 1 35 35 0A1 CD1 C 13 135.315 0.000 . 1 . . . A 34 0A1 CD1 . 34032 1
285 . 1 1 35 35 0A1 CD2 C 13 135.315 0.000 . 1 . . . A 34 0A1 CD2 . 34032 1
286 . 1 1 35 35 0A1 CE1 C 13 118.714 0.000 . 1 . . . A 34 0A1 CE1 . 34032 1
287 . 1 1 35 35 0A1 CE2 C 13 118.714 0.000 . 1 . . . A 34 0A1 CE2 . 34032 1
288 . 1 1 35 35 0A1 CM C 13 59.877 0.000 . 1 . . . A 34 0A1 CM . 34032 1
289 . 1 1 35 35 0A1 HA H 1 4.185 0.002 . 1 . . . A 34 0A1 HA . 34032 1
290 . 1 1 35 35 0A1 HBC1 H 1 3.221 0.003 . 2 . . . A 34 0A1 HBC1 . 34032 1
291 . 1 1 35 35 0A1 HBC2 H 1 3.085 0.002 . 2 . . . A 34 0A1 HBC2 . 34032 1
292 . 1 1 35 35 0A1 HD1 H 1 7.249 0.003 . 1 . . . A 34 0A1 HD1 . 34032 1
293 . 1 1 35 35 0A1 HD2 H 1 7.248 0.002 . 1 . . . A 34 0A1 HD2 . 34032 1
294 . 1 1 35 35 0A1 HE1 H 1 6.912 0.001 . 1 . . . A 34 0A1 HE1 . 34032 1
295 . 1 1 35 35 0A1 HE2 H 1 6.912 0.001 . 1 . . . A 34 0A1 HE2 . 34032 1
296 . 1 1 35 35 0A1 HMC1 H 1 3.801 0.001 . 1 . . . A 34 0A1 HMC1 . 34032 1
297 . 1 1 35 35 0A1 HMC2 H 1 3.801 0.001 . 1 . . . A 34 0A1 HMC2 . 34032 1
298 . 1 1 35 35 0A1 HMC3 H 1 3.801 0.001 . 1 . . . A 34 0A1 HMC3 . 34032 1
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