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 34800
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-1H NOESY' . . . 34800 1
2 '2D 1H-13C HSQC' . . . 34800 1
3 '2D 1H-1H TOCSY' . . . 34800 1
4 '2D 1H-1H COSY' . . . 34800 1
5 '2D 1H-15N HSQC' . . . 34800 1
6 '2D 1H-13C HSQC aliphatic' . . . 34800 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 ACE H1 H 1 2.166 0.001 . 1 . . . . A 0 ACE H1 . 34800 1
2 . 1 . 1 1 1 ACE H2 H 1 2.166 0.001 . 1 . . . . A 0 ACE H2 . 34800 1
3 . 1 . 1 1 1 ACE H3 H 1 2.166 0.001 . 1 . . . . A 0 ACE H3 . 34800 1
4 . 1 . 1 1 1 ACE CH3 C 13 24.650 0.000 . 1 . . . . A 0 ACE CH3 . 34800 1
5 . 1 . 1 2 2 MET H H 1 8.310 0.006 . 1 . . . . A 1 MET H . 34800 1
6 . 1 . 1 2 2 MET HA H 1 4.468 0.002 . 1 . . . . A 1 MET HA . 34800 1
7 . 1 . 1 2 2 MET HB2 H 1 2.144 0.017 . 2 . . . . A 1 MET HB2 . 34800 1
8 . 1 . 1 2 2 MET HB3 H 1 2.116 0.019 . 2 . . . . A 1 MET HB2 . 34800 1
9 . 1 . 1 2 2 MET HG2 H 1 2.705 0.001 . 2 . . . . A 1 MET HG2 . 34800 1
10 . 1 . 1 2 2 MET HG3 H 1 2.641 0.003 . 2 . . . . A 1 MET HG2 . 34800 1
11 . 1 . 1 2 2 MET CA C 13 57.905 0.000 . 1 . . . . A 1 MET CA . 34800 1
12 . 1 . 1 2 2 MET CB C 13 32.808 0.008 . 1 . . . . A 1 MET CB . 34800 1
13 . 1 . 1 2 2 MET CG C 13 32.626 0.027 . 1 . . . . A 1 MET CG . 34800 1
14 . 1 . 1 2 2 MET N N 15 126.199 0.000 . 1 . . . . A 1 MET N . 34800 1
15 . 1 . 1 3 3 ASP H H 1 8.787 0.001 . 1 . . . . A 2 ASP H . 34800 1
16 . 1 . 1 3 3 ASP HA H 1 4.378 0.002 . 1 . . . . A 2 ASP HA . 34800 1
17 . 1 . 1 3 3 ASP HB2 H 1 2.744 0.003 . 2 . . . . A 2 ASP HB2 . 34800 1
18 . 1 . 1 3 3 ASP HB3 H 1 2.688 0.003 . 2 . . . . A 2 ASP HB2 . 34800 1
19 . 1 . 1 3 3 ASP CA C 13 56.902 0.000 . 1 . . . . A 2 ASP CA . 34800 1
20 . 1 . 1 3 3 ASP CB C 13 40.072 0.062 . 1 . . . . A 2 ASP CB . 34800 1
21 . 1 . 1 3 3 ASP N N 15 117.785 0.000 . 1 . . . . A 2 ASP N . 34800 1
22 . 1 . 1 4 4 VAL H H 1 7.613 0.002 . 1 . . . . A 3 VAL H . 34800 1
23 . 1 . 1 4 4 VAL HA H 1 3.701 0.005 . 1 . . . . A 3 VAL HA . 34800 1
24 . 1 . 1 4 4 VAL HB H 1 2.165 0.013 . 1 . . . . A 3 VAL HB . 34800 1
25 . 1 . 1 4 4 VAL HG11 H 1 1.012 0.005 . 2 . . . . A 3 VAL HG11 . 34800 1
26 . 1 . 1 4 4 VAL HG12 H 1 1.012 0.005 . 2 . . . . A 3 VAL HG12 . 34800 1
27 . 1 . 1 4 4 VAL HG13 H 1 1.012 0.005 . 2 . . . . A 3 VAL HG13 . 34800 1
28 . 1 . 1 4 4 VAL HG21 H 1 0.935 0.003 . 2 . . . . A 3 VAL HG21 . 34800 1
29 . 1 . 1 4 4 VAL HG22 H 1 0.935 0.003 . 2 . . . . A 3 VAL HG22 . 34800 1
30 . 1 . 1 4 4 VAL HG23 H 1 0.935 0.003 . 2 . . . . A 3 VAL HG23 . 34800 1
31 . 1 . 1 4 4 VAL CA C 13 66.571 0.000 . 1 . . . . A 3 VAL CA . 34800 1
32 . 1 . 1 4 4 VAL CB C 13 32.157 0.000 . 1 . . . . A 3 VAL CB . 34800 1
33 . 1 . 1 4 4 VAL CG1 C 13 21.926 0.000 . 2 . . . . A 3 VAL CG1 . 34800 1
34 . 1 . 1 4 4 VAL CG2 C 13 21.066 0.000 . 2 . . . . A 3 VAL CG2 . 34800 1
35 . 1 . 1 4 4 VAL N N 15 120.884 0.000 . 1 . . . . A 3 VAL N . 34800 1
36 . 1 . 1 5 5 PHE H H 1 7.950 0.001 . 1 . . . . A 4 PHE H . 34800 1
37 . 1 . 1 5 5 PHE HA H 1 4.370 0.001 . 1 . . . . A 4 PHE HA . 34800 1
38 . 1 . 1 5 5 PHE HB2 H 1 3.300 0.005 . 2 . . . . A 4 PHE HB2 . 34800 1
39 . 1 . 1 5 5 PHE HB3 H 1 3.223 0.003 . 2 . . . . A 4 PHE HB2 . 34800 1
40 . 1 . 1 5 5 PHE HD1 H 1 7.280 0.000 . 1 . . . . A 4 PHE HD1 . 34800 1
41 . 1 . 1 5 5 PHE HD2 H 1 7.280 0.000 . 1 . . . . A 4 PHE HD2 . 34800 1
42 . 1 . 1 5 5 PHE HE1 H 1 7.320 0.000 . 1 . . . . A 4 PHE HE1 . 34800 1
43 . 1 . 1 5 5 PHE HE2 H 1 7.320 0.000 . 1 . . . . A 4 PHE HE2 . 34800 1
44 . 1 . 1 5 5 PHE HZ H 1 7.272 0.000 . 1 . . . . A 4 PHE HZ . 34800 1
45 . 1 . 1 5 5 PHE CA C 13 61.415 0.000 . 1 . . . . A 4 PHE CA . 34800 1
46 . 1 . 1 5 5 PHE CB C 13 39.633 0.044 . 1 . . . . A 4 PHE CB . 34800 1
47 . 1 . 1 5 5 PHE CD1 C 13 132.077 0.000 . 1 . . . . A 4 PHE CD1 . 34800 1
48 . 1 . 1 5 5 PHE CD2 C 13 132.077 0.000 . 1 . . . . A 4 PHE CD2 . 34800 1
49 . 1 . 1 5 5 PHE CE1 C 13 131.748 0.000 . 1 . . . . A 4 PHE CE1 . 34800 1
50 . 1 . 1 5 5 PHE CE2 C 13 131.748 0.000 . 1 . . . . A 4 PHE CE2 . 34800 1
51 . 1 . 1 5 5 PHE CZ C 13 130.272 0.000 . 1 . . . . A 4 PHE CZ . 34800 1
52 . 1 . 1 5 5 PHE N N 15 121.752 0.000 . 1 . . . . A 4 PHE N . 34800 1
53 . 1 . 1 6 6 MET H H 1 8.496 0.002 . 1 . . . . A 5 MET H . 34800 1
54 . 1 . 1 6 6 MET HA H 1 4.259 0.005 . 1 . . . . A 5 MET HA . 34800 1
55 . 1 . 1 6 6 MET HB2 H 1 2.827 0.003 . 2 . . . . A 5 MET HB2 . 34800 1
56 . 1 . 1 6 6 MET HB3 H 1 2.748 0.002 . 2 . . . . A 5 MET HB2 . 34800 1
57 . 1 . 1 6 6 MET HG2 H 1 2.277 0.002 . 2 . . . . A 5 MET HG2 . 34800 1
58 . 1 . 1 6 6 MET HG3 H 1 2.142 0.003 . 2 . . . . A 5 MET HG2 . 34800 1
59 . 1 . 1 6 6 MET CA C 13 58.439 0.000 . 1 . . . . A 5 MET CA . 34800 1
60 . 1 . 1 6 6 MET CB C 13 33.052 0.040 . 1 . . . . A 5 MET CB . 34800 1
61 . 1 . 1 6 6 MET N N 15 118.050 0.000 . 1 . . . . A 5 MET N . 34800 1
62 . 1 . 1 7 7 LYS H H 1 8.192 0.002 . 1 . . . . A 6 LYS H . 34800 1
63 . 1 . 1 7 7 LYS HA H 1 4.104 0.006 . 1 . . . . A 6 LYS HA . 34800 1
64 . 1 . 1 7 7 LYS HB2 H 1 1.987 0.012 . 1 . . . . A 6 LYS HB2 . 34800 1
65 . 1 . 1 7 7 LYS HB3 H 1 1.987 0.012 . 1 . . . . A 6 LYS HB2 . 34800 1
66 . 1 . 1 7 7 LYS HG2 H 1 1.485 0.007 . 1 . . . . A 6 LYS HG2 . 34800 1
67 . 1 . 1 7 7 LYS HG3 H 1 1.485 0.007 . 1 . . . . A 6 LYS HG2 . 34800 1
68 . 1 . 1 7 7 LYS HD2 H 1 1.714 0.005 . 1 . . . . A 6 LYS HD2 . 34800 1
69 . 1 . 1 7 7 LYS HD3 H 1 1.714 0.005 . 1 . . . . A 6 LYS HD2 . 34800 1
70 . 1 . 1 7 7 LYS HE2 H 1 2.981 0.002 . 1 . . . . A 6 LYS HE2 . 34800 1
71 . 1 . 1 7 7 LYS HE3 H 1 2.981 0.002 . 1 . . . . A 6 LYS HE2 . 34800 1
72 . 1 . 1 7 7 LYS CA C 13 59.925 0.000 . 1 . . . . A 6 LYS CA . 34800 1
73 . 1 . 1 7 7 LYS CB C 13 32.806 0.000 . 1 . . . . A 6 LYS CB . 34800 1
74 . 1 . 1 7 7 LYS CG C 13 25.701 0.000 . 1 . . . . A 6 LYS CG . 34800 1
75 . 1 . 1 7 7 LYS CD C 13 29.683 0.000 . 1 . . . . A 6 LYS CD . 34800 1
76 . 1 . 1 8 8 GLY H H 1 8.218 0.001 . 1 . . . . A 7 GLY H . 34800 1
77 . 1 . 1 8 8 GLY HA2 H 1 3.884 0.020 . 2 . . . . A 7 GLY HA2 . 34800 1
78 . 1 . 1 8 8 GLY HA3 H 1 3.888 0.023 . 2 . . . . A 7 GLY HA2 . 34800 1
79 . 1 . 1 8 8 GLY CA C 13 47.370 0.040 . 1 . . . . A 7 GLY CA . 34800 1
80 . 1 . 1 8 8 GLY N N 15 108.584 0.000 . 1 . . . . A 7 GLY N . 34800 1
81 . 1 . 1 9 9 LEU H H 1 8.194 0.001 . 1 . . . . A 8 LEU H . 34800 1
82 . 1 . 1 9 9 LEU HA H 1 4.142 0.010 . 1 . . . . A 8 LEU HA . 34800 1
83 . 1 . 1 9 9 LEU HB2 H 1 1.628 0.005 . 2 . . . . A 8 LEU HB2 . 34800 1
84 . 1 . 1 9 9 LEU HB3 H 1 1.628 0.005 . 2 . . . . A 8 LEU HB2 . 34800 1
85 . 1 . 1 9 9 LEU HD11 H 1 0.874 0.008 . 2 . . . . A 8 LEU HD11 . 34800 1
86 . 1 . 1 9 9 LEU HD12 H 1 0.874 0.008 . 2 . . . . A 8 LEU HD12 . 34800 1
87 . 1 . 1 9 9 LEU HD13 H 1 0.874 0.008 . 2 . . . . A 8 LEU HD13 . 34800 1
88 . 1 . 1 9 9 LEU HD21 H 1 0.874 0.008 . 2 . . . . A 8 LEU HD21 . 34800 1
89 . 1 . 1 9 9 LEU HD22 H 1 0.874 0.008 . 2 . . . . A 8 LEU HD22 . 34800 1
90 . 1 . 1 9 9 LEU HD23 H 1 0.874 0.008 . 2 . . . . A 8 LEU HD23 . 34800 1
91 . 1 . 1 9 9 LEU CA C 13 58.215 0.000 . 1 . . . . A 8 LEU CA . 34800 1
92 . 1 . 1 9 9 LEU CB C 13 42.484 0.000 . 1 . . . . A 8 LEU CB . 34800 1
93 . 1 . 1 9 9 LEU CD1 C 13 23.818 0.000 . 2 . . . . A 8 LEU CD1 . 34800 1
94 . 1 . 1 9 9 LEU CD2 C 13 24.472 0.000 . 2 . . . . A 8 LEU CD2 . 34800 1
95 . 1 . 1 9 9 LEU N N 15 118.775 0.000 . 1 . . . . A 8 LEU N . 34800 1
96 . 1 . 1 10 10 SER H H 1 8.076 0.001 . 1 . . . . A 9 SER H . 34800 1
97 . 1 . 1 10 10 SER HA H 1 4.195 0.004 . 1 . . . . A 9 SER HA . 34800 1
98 . 1 . 1 10 10 SER HB2 H 1 4.106 0.004 . 2 . . . . A 9 SER HB2 . 34800 1
99 . 1 . 1 10 10 SER HB3 H 1 4.050 0.004 . 2 . . . . A 9 SER HB2 . 34800 1
100 . 1 . 1 10 10 SER CA C 13 62.375 0.000 . 1 . . . . A 9 SER CA . 34800 1
101 . 1 . 1 10 10 SER CB C 13 63.509 0.013 . 1 . . . . A 9 SER CB . 34800 1
102 . 1 . 1 10 10 SER N N 15 114.724 0.000 . 1 . . . . A 9 SER N . 34800 1
103 . 1 . 1 11 11 LYS H H 1 7.878 0.006 . 1 . . . . A 10 LYS H . 34800 1
104 . 1 . 1 11 11 LYS HA H 1 4.260 0.005 . 1 . . . . A 10 LYS HA . 34800 1
105 . 1 . 1 11 11 LYS HB2 H 1 2.000 0.004 . 1 . . . . A 10 LYS HB2 . 34800 1
106 . 1 . 1 11 11 LYS HB3 H 1 2.000 0.004 . 1 . . . . A 10 LYS HB2 . 34800 1
107 . 1 . 1 11 11 LYS HG2 H 1 1.595 0.004 . 1 . . . . A 10 LYS HG2 . 34800 1
108 . 1 . 1 11 11 LYS HG3 H 1 1.595 0.004 . 1 . . . . A 10 LYS HG2 . 34800 1
109 . 1 . 1 11 11 LYS HD2 H 1 1.748 0.005 . 1 . . . . A 10 LYS HD2 . 34800 1
110 . 1 . 1 11 11 LYS HD3 H 1 1.748 0.005 . 1 . . . . A 10 LYS HD2 . 34800 1
111 . 1 . 1 11 11 LYS HE2 H 1 2.996 0.003 . 1 . . . . A 10 LYS HE2 . 34800 1
112 . 1 . 1 11 11 LYS HE3 H 1 2.996 0.003 . 1 . . . . A 10 LYS HE2 . 34800 1
113 . 1 . 1 11 11 LYS CA C 13 58.459 0.000 . 1 . . . . A 10 LYS CA . 34800 1
114 . 1 . 1 11 11 LYS CB C 13 32.230 0.000 . 1 . . . . A 10 LYS CB . 34800 1
115 . 1 . 1 11 11 LYS CG C 13 24.773 0.000 . 1 . . . . A 10 LYS CG . 34800 1
116 . 1 . 1 11 11 LYS CD C 13 28.807 0.000 . 1 . . . . A 10 LYS CD . 34800 1
117 . 1 . 1 11 11 LYS CE C 13 42.643 0.000 . 1 . . . . A 10 LYS CE . 34800 1
118 . 1 . 1 11 11 LYS N N 15 122.370 0.000 . 1 . . . . A 10 LYS N . 34800 1
119 . 1 . 1 12 12 ALA H H 1 8.117 0.001 . 1 . . . . A 11 ALA H . 34800 1
120 . 1 . 1 12 12 ALA HA H 1 4.215 0.007 . 1 . . . . A 11 ALA HA . 34800 1
121 . 1 . 1 12 12 ALA HB1 H 1 1.557 0.006 . 1 . . . . A 11 ALA HB1 . 34800 1
122 . 1 . 1 12 12 ALA HB2 H 1 1.557 0.006 . 1 . . . . A 11 ALA HB2 . 34800 1
123 . 1 . 1 12 12 ALA HB3 H 1 1.557 0.006 . 1 . . . . A 11 ALA HB3 . 34800 1
124 . 1 . 1 12 12 ALA CA C 13 55.508 0.000 . 1 . . . . A 11 ALA CA . 34800 1
125 . 1 . 1 12 12 ALA CB C 13 18.050 0.000 . 1 . . . . A 11 ALA CB . 34800 1
126 . 1 . 1 12 12 ALA N N 15 124.287 0.000 . 1 . . . . A 11 ALA N . 34800 1
127 . 1 . 1 13 13 LYS H H 1 8.194 0.000 . 1 . . . . A 12 LYS H . 34800 1
128 . 1 . 1 13 13 LYS HA H 1 4.055 0.004 . 1 . . . . A 12 LYS HA . 34800 1
129 . 1 . 1 13 13 LYS HB2 H 1 1.980 0.006 . 1 . . . . A 12 LYS HB2 . 34800 1
130 . 1 . 1 13 13 LYS HB3 H 1 1.980 0.006 . 1 . . . . A 12 LYS HB2 . 34800 1
131 . 1 . 1 13 13 LYS HG2 H 1 1.632 0.011 . 1 . . . . A 12 LYS HG2 . 34800 1
132 . 1 . 1 13 13 LYS HG3 H 1 1.632 0.011 . 1 . . . . A 12 LYS HG2 . 34800 1
133 . 1 . 1 13 13 LYS HD2 H 1 1.724 0.013 . 2 . . . . A 12 LYS HD2 . 34800 1
134 . 1 . 1 13 13 LYS HD3 H 1 1.493 0.000 . 2 . . . . A 12 LYS HD2 . 34800 1
135 . 1 . 1 13 13 LYS HE2 H 1 2.969 0.012 . 1 . . . . A 12 LYS HE2 . 34800 1
136 . 1 . 1 13 13 LYS HE3 H 1 2.969 0.012 . 1 . . . . A 12 LYS HE2 . 34800 1
137 . 1 . 1 13 13 LYS CA C 13 59.976 0.000 . 1 . . . . A 12 LYS CA . 34800 1
138 . 1 . 1 13 13 LYS CB C 13 32.425 0.000 . 1 . . . . A 12 LYS CB . 34800 1
139 . 1 . 1 13 13 LYS CG C 13 25.602 0.000 . 1 . . . . A 12 LYS CG . 34800 1
140 . 1 . 1 13 13 LYS CD C 13 29.879 0.000 . 1 . . . . A 12 LYS CD . 34800 1
141 . 1 . 1 13 13 LYS CE C 13 42.648 0.000 . 1 . . . . A 12 LYS CE . 34800 1
142 . 1 . 1 14 14 GLU H H 1 8.079 0.001 . 1 . . . . A 13 GLU H . 34800 1
143 . 1 . 1 14 14 GLU HA H 1 4.016 0.002 . 1 . . . . A 13 GLU HA . 34800 1
144 . 1 . 1 14 14 GLU HB2 H 1 2.239 0.002 . 2 . . . . A 13 GLU HB2 . 34800 1
145 . 1 . 1 14 14 GLU HB3 H 1 2.193 0.003 . 2 . . . . A 13 GLU HB2 . 34800 1
146 . 1 . 1 14 14 GLU HG2 H 1 2.544 0.005 . 2 . . . . A 13 GLU HG2 . 34800 1
147 . 1 . 1 14 14 GLU HG3 H 1 2.339 0.001 . 2 . . . . A 13 GLU HG2 . 34800 1
148 . 1 . 1 14 14 GLU CA C 13 60.004 0.000 . 1 . . . . A 13 GLU CA . 34800 1
149 . 1 . 1 14 14 GLU CB C 13 30.084 0.000 . 1 . . . . A 13 GLU CB . 34800 1
150 . 1 . 1 14 14 GLU CG C 13 36.943 0.010 . 1 . . . . A 13 GLU CG . 34800 1
151 . 1 . 1 14 14 GLU N N 15 118.921 0.000 . 1 . . . . A 13 GLU N . 34800 1
152 . 1 . 1 15 15 GLY H H 1 8.032 0.003 . 1 . . . . A 14 GLY H . 34800 1
153 . 1 . 1 15 15 GLY HA2 H 1 3.973 0.002 . 1 . . . . A 14 GLY HA2 . 34800 1
154 . 1 . 1 15 15 GLY HA3 H 1 3.973 0.002 . 1 . . . . A 14 GLY HA2 . 34800 1
155 . 1 . 1 15 15 GLY CA C 13 47.281 0.000 . 1 . . . . A 14 GLY CA . 34800 1
156 . 1 . 1 15 15 GLY N N 15 106.627 0.000 . 1 . . . . A 14 GLY N . 34800 1
157 . 1 . 1 16 16 VAL H H 1 7.868 0.002 . 1 . . . . A 15 VAL H . 34800 1
158 . 1 . 1 16 16 VAL HA H 1 3.834 0.002 . 1 . . . . A 15 VAL HA . 34800 1
159 . 1 . 1 16 16 VAL HB H 1 2.302 0.000 . 1 . . . . A 15 VAL HB . 34800 1
160 . 1 . 1 16 16 VAL HG11 H 1 1.113 0.007 . 2 . . . . A 15 VAL HG11 . 34800 1
161 . 1 . 1 16 16 VAL HG12 H 1 1.113 0.007 . 2 . . . . A 15 VAL HG12 . 34800 1
162 . 1 . 1 16 16 VAL HG13 H 1 1.113 0.007 . 2 . . . . A 15 VAL HG13 . 34800 1
163 . 1 . 1 16 16 VAL HG21 H 1 1.012 0.006 . 2 . . . . A 15 VAL HG21 . 34800 1
164 . 1 . 1 16 16 VAL HG22 H 1 1.012 0.006 . 2 . . . . A 15 VAL HG22 . 34800 1
165 . 1 . 1 16 16 VAL HG23 H 1 1.012 0.006 . 2 . . . . A 15 VAL HG23 . 34800 1
166 . 1 . 1 16 16 VAL CA C 13 66.889 0.000 . 1 . . . . A 15 VAL CA . 34800 1
167 . 1 . 1 16 16 VAL CG1 C 13 22.213 0.000 . 2 . . . . A 15 VAL CG1 . 34800 1
168 . 1 . 1 16 16 VAL CG2 C 13 21.018 0.000 . 2 . . . . A 15 VAL CG2 . 34800 1
169 . 1 . 1 16 16 VAL N N 15 123.517 0.000 . 1 . . . . A 15 VAL N . 34800 1
170 . 1 . 1 17 17 VAL H H 1 8.026 0.001 . 1 . . . . A 16 VAL H . 34800 1
171 . 1 . 1 17 17 VAL HA H 1 3.698 0.001 . 1 . . . . A 16 VAL HA . 34800 1
172 . 1 . 1 17 17 VAL HB H 1 2.182 0.000 . 1 . . . . A 16 VAL HB . 34800 1
173 . 1 . 1 17 17 VAL HG11 H 1 1.014 0.005 . 2 . . . . A 16 VAL HG11 . 34800 1
174 . 1 . 1 17 17 VAL HG12 H 1 1.014 0.005 . 2 . . . . A 16 VAL HG12 . 34800 1
175 . 1 . 1 17 17 VAL HG13 H 1 1.014 0.005 . 2 . . . . A 16 VAL HG13 . 34800 1
176 . 1 . 1 17 17 VAL HG21 H 1 1.104 0.007 . 2 . . . . A 16 VAL HG21 . 34800 1
177 . 1 . 1 17 17 VAL HG22 H 1 1.104 0.007 . 2 . . . . A 16 VAL HG22 . 34800 1
178 . 1 . 1 17 17 VAL HG23 H 1 1.104 0.007 . 2 . . . . A 16 VAL HG23 . 34800 1
179 . 1 . 1 17 17 VAL CA C 13 66.971 0.000 . 1 . . . . A 16 VAL CA . 34800 1
180 . 1 . 1 17 17 VAL CG1 C 13 21.372 0.000 . 2 . . . . A 16 VAL CG1 . 34800 1
181 . 1 . 1 17 17 VAL CG2 C 13 22.614 0.000 . 2 . . . . A 16 VAL CG2 . 34800 1
182 . 1 . 1 18 18 ALA H H 1 8.155 0.001 . 1 . . . . A 17 ALA H . 34800 1
183 . 1 . 1 18 18 ALA HA H 1 4.190 0.011 . 1 . . . . A 17 ALA HA . 34800 1
184 . 1 . 1 18 18 ALA HB1 H 1 1.554 0.005 . 1 . . . . A 17 ALA HB1 . 34800 1
185 . 1 . 1 18 18 ALA HB2 H 1 1.554 0.005 . 1 . . . . A 17 ALA HB2 . 34800 1
186 . 1 . 1 18 18 ALA HB3 H 1 1.554 0.005 . 1 . . . . A 17 ALA HB3 . 34800 1
187 . 1 . 1 18 18 ALA CA C 13 55.565 0.000 . 1 . . . . A 17 ALA CA . 34800 1
188 . 1 . 1 18 18 ALA CB C 13 18.585 0.000 . 1 . . . . A 17 ALA CB . 34800 1
189 . 1 . 1 18 18 ALA N N 15 121.972 0.000 . 1 . . . . A 17 ALA N . 34800 1
190 . 1 . 1 19 19 ALA H H 1 7.966 0.002 . 1 . . . . A 18 ALA H . 34800 1
191 . 1 . 1 19 19 ALA HA H 1 4.170 0.002 . 1 . . . . A 18 ALA HA . 34800 1
192 . 1 . 1 19 19 ALA HB1 H 1 1.575 0.009 . 1 . . . . A 18 ALA HB1 . 34800 1
193 . 1 . 1 19 19 ALA HB2 H 1 1.575 0.009 . 1 . . . . A 18 ALA HB2 . 34800 1
194 . 1 . 1 19 19 ALA HB3 H 1 1.575 0.009 . 1 . . . . A 18 ALA HB3 . 34800 1
195 . 1 . 1 19 19 ALA CA C 13 55.602 0.000 . 1 . . . . A 18 ALA CA . 34800 1
196 . 1 . 1 19 19 ALA CB C 13 18.302 0.000 . 1 . . . . A 18 ALA CB . 34800 1
197 . 1 . 1 19 19 ALA N N 15 121.136 0.000 . 1 . . . . A 18 ALA N . 34800 1
198 . 1 . 1 20 20 ALA H H 1 8.456 0.004 . 1 . . . . A 19 ALA H . 34800 1
199 . 1 . 1 20 20 ALA HA H 1 4.138 0.006 . 1 . . . . A 19 ALA HA . 34800 1
200 . 1 . 1 20 20 ALA HB1 H 1 1.591 0.008 . 1 . . . . A 19 ALA HB1 . 34800 1
201 . 1 . 1 20 20 ALA HB2 H 1 1.591 0.008 . 1 . . . . A 19 ALA HB2 . 34800 1
202 . 1 . 1 20 20 ALA HB3 H 1 1.591 0.008 . 1 . . . . A 19 ALA HB3 . 34800 1
203 . 1 . 1 20 20 ALA CA C 13 55.514 0.000 . 1 . . . . A 19 ALA CA . 34800 1
204 . 1 . 1 20 20 ALA CB C 13 18.266 0.000 . 1 . . . . A 19 ALA CB . 34800 1
205 . 1 . 1 20 20 ALA N N 15 123.652 0.000 . 1 . . . . A 19 ALA N . 34800 1
206 . 1 . 1 21 21 GLU H H 1 8.427 0.002 . 1 . . . . A 20 GLU H . 34800 1
207 . 1 . 1 21 21 GLU HA H 1 4.127 0.000 . 1 . . . . A 20 GLU HA . 34800 1
208 . 1 . 1 21 21 GLU HB2 H 1 2.165 0.001 . 2 . . . . A 20 GLU HB2 . 34800 1
209 . 1 . 1 21 21 GLU HB3 H 1 2.218 0.009 . 2 . . . . A 20 GLU HB2 . 34800 1
210 . 1 . 1 21 21 GLU HG2 H 1 2.410 0.002 . 1 . . . . A 20 GLU HG2 . 34800 1
211 . 1 . 1 21 21 GLU HG3 H 1 2.410 0.002 . 1 . . . . A 20 GLU HG2 . 34800 1
212 . 1 . 1 21 21 GLU CA C 13 59.724 0.000 . 1 . . . . A 20 GLU CA . 34800 1
213 . 1 . 1 21 21 GLU CB C 13 30.072 0.010 . 1 . . . . A 20 GLU CB . 34800 1
214 . 1 . 1 21 21 GLU CG C 13 36.552 0.000 . 1 . . . . A 20 GLU CG . 34800 1
215 . 1 . 1 21 21 GLU N N 15 119.253 0.000 . 1 . . . . A 20 GLU N . 34800 1
216 . 1 . 1 22 22 LYS H H 1 8.115 0.001 . 1 . . . . A 21 LYS H . 34800 1
217 . 1 . 1 22 22 LYS HA H 1 4.178 0.002 . 1 . . . . A 21 LYS HA . 34800 1
218 . 1 . 1 22 22 LYS HB2 H 1 2.023 0.005 . 1 . . . . A 21 LYS HB2 . 34800 1
219 . 1 . 1 22 22 LYS HB3 H 1 2.023 0.005 . 1 . . . . A 21 LYS HB2 . 34800 1
220 . 1 . 1 22 22 LYS HG2 H 1 1.619 0.006 . 1 . . . . A 21 LYS HG2 . 34800 1
221 . 1 . 1 22 22 LYS HG3 H 1 1.619 0.006 . 1 . . . . A 21 LYS HG2 . 34800 1
222 . 1 . 1 22 22 LYS HD2 H 1 1.743 0.003 . 1 . . . . A 21 LYS HD2 . 34800 1
223 . 1 . 1 22 22 LYS HD3 H 1 1.743 0.003 . 1 . . . . A 21 LYS HD2 . 34800 1
224 . 1 . 1 22 22 LYS HE2 H 1 3.018 0.000 . 1 . . . . A 21 LYS HE2 . 34800 1
225 . 1 . 1 22 22 LYS HE3 H 1 3.018 0.000 . 1 . . . . A 21 LYS HE2 . 34800 1
226 . 1 . 1 22 22 LYS CA C 13 59.246 0.000 . 1 . . . . A 21 LYS CA . 34800 1
227 . 1 . 1 22 22 LYS CB C 13 32.814 0.000 . 1 . . . . A 21 LYS CB . 34800 1
228 . 1 . 1 22 22 LYS CG C 13 25.547 0.000 . 1 . . . . A 21 LYS CG . 34800 1
229 . 1 . 1 22 22 LYS CD C 13 29.170 0.000 . 1 . . . . A 21 LYS CD . 34800 1
230 . 1 . 1 23 23 THR H H 1 7.976 0.001 . 1 . . . . A 22 THR H . 34800 1
231 . 1 . 1 23 23 THR HA H 1 4.170 0.006 . 1 . . . . A 22 THR HA . 34800 1
232 . 1 . 1 23 23 THR HB H 1 4.415 0.006 . 1 . . . . A 22 THR HB . 34800 1
233 . 1 . 1 23 23 THR HG21 H 1 1.333 0.004 . 1 . . . . A 22 THR HG21 . 34800 1
234 . 1 . 1 23 23 THR HG22 H 1 1.333 0.004 . 1 . . . . A 22 THR HG22 . 34800 1
235 . 1 . 1 23 23 THR HG23 H 1 1.333 0.004 . 1 . . . . A 22 THR HG23 . 34800 1
236 . 1 . 1 23 23 THR CA C 13 65.232 0.000 . 1 . . . . A 22 THR CA . 34800 1
237 . 1 . 1 23 23 THR CB C 13 69.911 0.000 . 1 . . . . A 22 THR CB . 34800 1
238 . 1 . 1 23 23 THR CG2 C 13 21.582 0.000 . 1 . . . . A 22 THR CG2 . 34800 1
239 . 1 . 1 23 23 THR N N 15 113.154 0.000 . 1 . . . . A 22 THR N . 34800 1
240 . 1 . 1 24 24 LYS H H 1 7.846 0.004 . 1 . . . . A 23 LYS H . 34800 1
241 . 1 . 1 24 24 LYS HA H 1 4.220 0.003 . 1 . . . . A 23 LYS HA . 34800 1
242 . 1 . 1 24 24 LYS HB2 H 1 1.985 0.003 . 1 . . . . A 23 LYS HB2 . 34800 1
243 . 1 . 1 24 24 LYS HB3 H 1 1.985 0.003 . 1 . . . . A 23 LYS HB2 . 34800 1
244 . 1 . 1 24 24 LYS HG2 H 1 1.592 0.003 . 2 . . . . A 23 LYS HG2 . 34800 1
245 . 1 . 1 24 24 LYS HG3 H 1 1.511 0.000 . 2 . . . . A 23 LYS HG2 . 34800 1
246 . 1 . 1 24 24 LYS HD2 H 1 1.757 0.009 . 1 . . . . A 23 LYS HD2 . 34800 1
247 . 1 . 1 24 24 LYS HD3 H 1 1.757 0.009 . 1 . . . . A 23 LYS HD2 . 34800 1
248 . 1 . 1 24 24 LYS HE2 H 1 3.005 0.008 . 1 . . . . A 23 LYS HE2 . 34800 1
249 . 1 . 1 24 24 LYS HE3 H 1 3.005 0.008 . 1 . . . . A 23 LYS HE2 . 34800 1
250 . 1 . 1 24 24 LYS CA C 13 58.490 0.000 . 1 . . . . A 23 LYS CA . 34800 1
251 . 1 . 1 24 24 LYS CB C 13 33.301 0.000 . 1 . . . . A 23 LYS CB . 34800 1
252 . 1 . 1 24 24 LYS CG C 13 25.367 0.000 . 1 . . . . A 23 LYS CG . 34800 1
253 . 1 . 1 24 24 LYS CD C 13 29.814 0.000 . 1 . . . . A 23 LYS CD . 34800 1
254 . 1 . 1 24 24 LYS CE C 13 42.650 0.000 . 1 . . . . A 23 LYS CE . 34800 1
255 . 1 . 1 24 24 LYS N N 15 122.414 0.000 . 1 . . . . A 23 LYS N . 34800 1
256 . 1 . 1 25 25 GLN H H 1 8.025 0.001 . 1 . . . . A 24 GLN H . 34800 1
257 . 1 . 1 25 25 GLN HA H 1 4.319 0.004 . 1 . . . . A 24 GLN HA . 34800 1
258 . 1 . 1 25 25 GLN HB2 H 1 2.126 0.004 . 2 . . . . A 24 GLN HB2 . 34800 1
259 . 1 . 1 25 25 GLN HB3 H 1 2.259 0.007 . 2 . . . . A 24 GLN HB2 . 34800 1
260 . 1 . 1 25 25 GLN HG2 H 1 2.537 0.005 . 2 . . . . A 24 GLN HG2 . 34800 1
261 . 1 . 1 25 25 GLN HG3 H 1 2.473 0.000 . 2 . . . . A 24 GLN HG2 . 34800 1
262 . 1 . 1 25 25 GLN HE21 H 1 7.506 0.000 . 1 . . . . A 24 GLN HE21 . 34800 1
263 . 1 . 1 25 25 GLN HE22 H 1 6.675 0.000 . 1 . . . . A 24 GLN HE22 . 34800 1
264 . 1 . 1 25 25 GLN CA C 13 57.098 0.000 . 1 . . . . A 24 GLN CA . 34800 1
265 . 1 . 1 25 25 GLN CB C 13 29.598 0.085 . 1 . . . . A 24 GLN CB . 34800 1
266 . 1 . 1 25 25 GLN CG C 13 34.466 0.016 . 1 . . . . A 24 GLN CG . 34800 1
267 . 1 . 1 25 25 GLN NE2 N 15 111.362 0.010 . 1 . . . . A 24 GLN NE2 . 34800 1
268 . 1 . 1 26 26 GLY H H 1 8.101 0.002 . 1 . . . . A 25 GLY H . 34800 1
269 . 1 . 1 26 26 GLY HA2 H 1 3.967 0.002 . 1 . . . . A 25 GLY HA2 . 34800 1
270 . 1 . 1 26 26 GLY HA3 H 1 3.967 0.002 . 1 . . . . A 25 GLY HA2 . 34800 1
271 . 1 . 1 26 26 GLY CA C 13 45.569 0.000 . 1 . . . . A 25 GLY CA . 34800 1
272 . 1 . 1 26 26 GLY N N 15 109.428 0.000 . 1 . . . . A 25 GLY N . 34800 1
273 . 1 . 1 27 27 NH2 N N 15 106.730 0.000 . 1 . . . . A 26 NH2 N . 34800 1
274 . 1 . 1 27 27 NH2 HN1 H 1 6.993 0.000 . 1 . . . . A 26 NH2 HN1 . 34800 1
275 . 1 . 1 27 27 NH2 HN2 H 1 7.397 0.000 . 1 . . . . A 26 NH2 HN2 . 34800 1
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