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 52491
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name chemical-shift_list_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 .
_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
2 '2D 1H-1H COSY' . . . 52491 1
3 '2D 1H-1H TOCSY' . . . 52491 1
4 '2D 1H-1H NOESY' . . . 52491 1
5 '2D 1H-13C HSQC aliphatic' . . . 52491 1
6 '2D 1H-13C HSQC aromatic' . . . 52491 1
7 '2D 1H-15N HSQC' . . . 52491 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
3 $software_3 . . 52491 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 2.112 0.000 . 1 . . . . . 0 ACE H1 . 52491 1
2 . 1 . 1 1 1 ACE H2 H 1 2.112 0.000 . 1 . . . . . 0 ACE H2 . 52491 1
3 . 1 . 1 1 1 ACE H3 H 1 2.112 0.000 . 1 . . . . . 0 ACE H3 . 52491 1
4 . 1 . 1 1 1 ACE C C 13 24.366 0.000 . 1 . . . . . 0 ACE C . 52491 1
5 . 1 . 1 2 2 GLN H H 1 8.288 0.001 . 1 . . . . . 1 GLN H . 52491 1
6 . 1 . 1 2 2 GLN HA H 1 4.274 0.002 . 1 . . . . . 1 GLN HA . 52491 1
7 . 1 . 1 2 2 GLN HB2 H 1 2.055 0.003 . 2 . . . . . 1 GLN HB2 . 52491 1
8 . 1 . 1 2 2 GLN HB3 H 1 2.134 0.003 . 2 . . . . . 1 GLN HB3 . 52491 1
9 . 1 . 1 2 2 GLN HG2 H 1 2.408 0.002 . 2 . . . . . 1 GLN HG2 . 52491 1
10 . 1 . 1 2 2 GLN HG3 H 1 2.408 0.002 . 2 . . . . . 1 GLN HG3 . 52491 1
11 . 1 . 1 2 2 GLN HE21 H 1 6.719 0.000 . 2 . . . . . 1 GLN HE21 . 52491 1
12 . 1 . 1 2 2 GLN HE22 H 1 7.492 0.001 . 2 . . . . . 1 GLN HE22 . 52491 1
13 . 1 . 1 2 2 GLN CA C 13 56.911 0.000 . 1 . . . . . 1 GLN CA . 52491 1
14 . 1 . 1 2 2 GLN CB C 13 29.334 0.016 . 1 . . . . . 1 GLN CB . 52491 1
15 . 1 . 1 2 2 GLN CG C 13 33.860 0.000 . 1 . . . . . 1 GLN CG . 52491 1
16 . 1 . 1 2 2 GLN NE2 N 15 110.790 0.005 . 1 . . . . . 1 GLN NE2 . 52491 1
17 . 1 . 1 3 3 GLU H H 1 8.786 0.004 . 1 . . . . . 2 GLU H . 52491 1
18 . 1 . 1 3 3 GLU HA H 1 4.262 0.005 . 1 . . . . . 2 GLU HA . 52491 1
19 . 1 . 1 3 3 GLU HB2 H 1 2.053 0.001 . 2 . . . . . 2 GLU HB2 . 52491 1
20 . 1 . 1 3 3 GLU HB3 H 1 2.107 0.005 . 2 . . . . . 2 GLU HB3 . 52491 1
21 . 1 . 1 3 3 GLU HG2 H 1 2.407 0.005 . 2 . . . . . 2 GLU HG2 . 52491 1
22 . 1 . 1 3 3 GLU HG3 H 1 2.407 0.005 . 2 . . . . . 2 GLU HG3 . 52491 1
23 . 1 . 1 3 3 GLU CA C 13 57.955 0.000 . 1 . . . . . 2 GLU CA . 52491 1
24 . 1 . 1 3 3 GLU CB C 13 29.205 0.000 . 1 . . . . . 2 GLU CB . 52491 1
25 . 1 . 1 3 3 GLU CG C 13 35.066 0.000 . 1 . . . . . 2 GLU CG . 52491 1
26 . 1 . 1 3 3 GLU N N 15 120.794 0.000 . 1 . . . . . 2 GLU N . 52491 1
27 . 1 . 1 4 4 GLU H H 1 8.443 0.004 . 1 . . . . . 3 GLU H . 52491 1
28 . 1 . 1 4 4 GLU HA H 1 4.232 0.004 . 1 . . . . . 3 GLU HA . 52491 1
29 . 1 . 1 4 4 GLU HB2 H 1 2.109 0.003 . 2 . . . . . 3 GLU HB2 . 52491 1
30 . 1 . 1 4 4 GLU HB3 H 1 2.109 0.003 . 2 . . . . . 3 GLU HB3 . 52491 1
31 . 1 . 1 4 4 GLU HG2 H 1 2.405 0.002 . 2 . . . . . 3 GLU HG2 . 52491 1
32 . 1 . 1 4 4 GLU HG3 H 1 2.405 0.002 . 2 . . . . . 3 GLU HG3 . 52491 1
33 . 1 . 1 4 4 GLU CA C 13 58.119 0.000 . 1 . . . . . 3 GLU CA . 52491 1
34 . 1 . 1 4 4 GLU CB C 13 29.214 0.000 . 1 . . . . . 3 GLU CB . 52491 1
35 . 1 . 1 4 4 GLU CG C 13 35.066 0.000 . 1 . . . . . 3 GLU CG . 52491 1
36 . 1 . 1 4 4 GLU N N 15 122.535 0.000 . 1 . . . . . 3 GLU N . 52491 1
37 . 1 . 1 5 5 VAL H H 1 7.927 0.002 . 1 . . . . . 4 VAL H . 52491 1
38 . 1 . 1 5 5 VAL HA H 1 3.924 0.003 . 1 . . . . . 4 VAL HA . 52491 1
39 . 1 . 1 5 5 VAL HB H 1 2.159 0.003 . 1 . . . . . 4 VAL HB . 52491 1
40 . 1 . 1 5 5 VAL HG11 H 1 0.999 0.004 . 2 . . . . . 4 VAL QG1 . 52491 1
41 . 1 . 1 5 5 VAL HG12 H 1 0.999 0.004 . 2 . . . . . 4 VAL QG1 . 52491 1
42 . 1 . 1 5 5 VAL HG13 H 1 0.999 0.004 . 2 . . . . . 4 VAL QG1 . 52491 1
43 . 1 . 1 5 5 VAL HG21 H 1 1.042 0.004 . 2 . . . . . 4 VAL QG2 . 52491 1
44 . 1 . 1 5 5 VAL HG22 H 1 1.042 0.004 . 2 . . . . . 4 VAL QG2 . 52491 1
45 . 1 . 1 5 5 VAL HG23 H 1 1.042 0.004 . 2 . . . . . 4 VAL QG2 . 52491 1
46 . 1 . 1 5 5 VAL CA C 13 64.636 0.000 . 1 . . . . . 4 VAL CA . 52491 1
47 . 1 . 1 5 5 VAL CB C 13 32.273 0.000 . 1 . . . . . 4 VAL CB . 52491 1
48 . 1 . 1 5 5 VAL CG1 C 13 20.831 0.000 . 1 . . . . . 4 VAL CG1 . 52491 1
49 . 1 . 1 5 5 VAL CG2 C 13 21.174 0.000 . 1 . . . . . 4 VAL CG2 . 52491 1
50 . 1 . 1 5 5 VAL N N 15 119.038 0.000 . 1 . . . . . 4 VAL N . 52491 1
51 . 1 . 1 6 6 SER H H 1 8.203 0.003 . 1 . . . . . 5 SER H . 52491 1
52 . 1 . 1 6 6 SER HA H 1 4.454 0.004 . 1 . . . . . 5 SER HA . 52491 1
53 . 1 . 1 6 6 SER HB2 H 1 4.010 0.003 . 2 . . . . . 5 SER HB2 . 52491 1
54 . 1 . 1 6 6 SER HB3 H 1 4.087 0.006 . 2 . . . . . 5 SER HB3 . 52491 1
55 . 1 . 1 6 6 SER CB C 13 63.604 0.018 . 1 . . . . . 5 SER CB . 52491 1
56 . 1 . 1 6 6 SER N N 15 116.690 0.000 . 1 . . . . . 5 SER N . 52491 1
57 . 1 . 1 7 7 VAL H H 1 7.890 0.003 . 1 . . . . . 6 VAL H . 52491 1
58 . 1 . 1 7 7 VAL HA H 1 3.834 0.004 . 1 . . . . . 6 VAL HA . 52491 1
59 . 1 . 1 7 7 VAL HB H 1 2.218 0.003 . 1 . . . . . 6 VAL HB . 52491 1
60 . 1 . 1 7 7 VAL HG11 H 1 0.996 0.005 . 2 . . . . . 6 VAL QG1 . 52491 1
61 . 1 . 1 7 7 VAL HG12 H 1 0.996 0.005 . 2 . . . . . 6 VAL QG1 . 52491 1
62 . 1 . 1 7 7 VAL HG13 H 1 0.996 0.005 . 2 . . . . . 6 VAL QG1 . 52491 1
63 . 1 . 1 7 7 VAL HG21 H 1 1.077 0.003 . 2 . . . . . 6 VAL QG2 . 52491 1
64 . 1 . 1 7 7 VAL HG22 H 1 1.077 0.003 . 2 . . . . . 6 VAL QG2 . 52491 1
65 . 1 . 1 7 7 VAL HG23 H 1 1.077 0.003 . 2 . . . . . 6 VAL QG2 . 52491 1
66 . 1 . 1 7 7 VAL CA C 13 64.374 0.000 . 1 . . . . . 6 VAL CA . 52491 1
67 . 1 . 1 7 7 VAL CB C 13 31.887 0.000 . 1 . . . . . 6 VAL CB . 52491 1
68 . 1 . 1 7 7 VAL CG1 C 13 20.356 0.000 . 1 . . . . . 6 VAL CG1 . 52491 1
69 . 1 . 1 7 7 VAL CG2 C 13 21.569 0.000 . 1 . . . . . 6 VAL CG2 . 52491 1
70 . 1 . 1 7 7 VAL N N 15 122.654 0.000 . 1 . . . . . 6 VAL N . 52491 1
71 . 1 . 1 8 8 ILE H H 1 7.799 0.003 . 1 . . . . . 7 ILE H . 52491 1
72 . 1 . 1 8 8 ILE HA H 1 3.828 0.003 . 1 . . . . . 7 ILE HA . 52491 1
73 . 1 . 1 8 8 ILE HB H 1 1.945 0.004 . 1 . . . . . 7 ILE HB . 52491 1
74 . 1 . 1 8 8 ILE HG12 H 1 1.283 0.005 . 2 . . . . . 7 ILE HG12 . 52491 1
75 . 1 . 1 8 8 ILE HG13 H 1 1.658 0.005 . 2 . . . . . 7 ILE HG13 . 52491 1
76 . 1 . 1 8 8 ILE HG21 H 1 0.968 0.002 . 1 . . . . . 7 ILE QG2 . 52491 1
77 . 1 . 1 8 8 ILE HG22 H 1 0.968 0.002 . 1 . . . . . 7 ILE QG2 . 52491 1
78 . 1 . 1 8 8 ILE HG23 H 1 0.968 0.002 . 1 . . . . . 7 ILE QG2 . 52491 1
79 . 1 . 1 8 8 ILE HD11 H 1 0.878 0.006 . 1 . . . . . 7 ILE QD1 . 52491 1
80 . 1 . 1 8 8 ILE HD12 H 1 0.878 0.006 . 1 . . . . . 7 ILE QD1 . 52491 1
81 . 1 . 1 8 8 ILE HD13 H 1 0.878 0.006 . 1 . . . . . 7 ILE QD1 . 52491 1
82 . 1 . 1 8 8 ILE CA C 13 66.049 0.000 . 1 . . . . . 7 ILE CA . 52491 1
83 . 1 . 1 8 8 ILE CB C 13 37.508 0.000 . 1 . . . . . 7 ILE CB . 52491 1
84 . 1 . 1 8 8 ILE CG1 C 13 28.645 0.008 . 1 . . . . . 7 ILE CG1 . 52491 1
85 . 1 . 1 8 8 ILE CG2 C 13 16.984 0.000 . 1 . . . . . 7 ILE CG2 . 52491 1
86 . 1 . 1 8 8 ILE CD1 C 13 11.660 0.000 . 1 . . . . . 7 ILE CD1 . 52491 1
87 . 1 . 1 8 8 ILE N N 15 119.442 0.000 . 1 . . . . . 7 ILE N . 52491 1
88 . 1 . 1 9 9 ASP H H 1 8.154 0.004 . 1 . . . . . 8 ASP H . 52491 1
89 . 1 . 1 9 9 ASP HA H 1 4.408 0.005 . 1 . . . . . 8 ASP HA . 52491 1
90 . 1 . 1 9 9 ASP HB2 H 1 2.882 0.004 . 2 . . . . . 8 ASP HB2 . 52491 1
91 . 1 . 1 9 9 ASP HB3 H 1 2.711 0.004 . 2 . . . . . 8 ASP HB3 . 52491 1
92 . 1 . 1 9 9 ASP CB C 13 40.419 0.001 . 1 . . . . . 8 ASP CB . 52491 1
93 . 1 . 1 9 9 ASP N N 15 118.365 0.000 . 1 . . . . . 8 ASP N . 52491 1
94 . 1 . 1 10 10 ALA H H 1 7.802 0.002 . 1 . . . . . 9 ALA H . 52491 1
95 . 1 . 1 10 10 ALA HA H 1 4.173 0.004 . 1 . . . . . 9 ALA HA . 52491 1
96 . 1 . 1 10 10 ALA HB1 H 1 1.583 0.003 . 1 . . . . . 9 ALA HB# . 52491 1
97 . 1 . 1 10 10 ALA HB2 H 1 1.583 0.003 . 1 . . . . . 9 ALA HB# . 52491 1
98 . 1 . 1 10 10 ALA HB3 H 1 1.583 0.003 . 1 . . . . . 9 ALA HB# . 52491 1
99 . 1 . 1 10 10 ALA CA C 13 55.225 0.000 . 1 . . . . . 9 ALA CA . 52491 1
100 . 1 . 1 10 10 ALA CB C 13 17.769 0.000 . 1 . . . . . 9 ALA CB . 52491 1
101 . 1 . 1 10 10 ALA N N 15 122.212 0.000 . 1 . . . . . 9 ALA N . 52491 1
102 . 1 . 1 11 11 LEU H H 1 8.367 0.005 . 1 . . . . . 10 LEU H . 52491 1
103 . 1 . 1 11 11 LEU HA H 1 4.209 0.006 . 1 . . . . . 10 LEU HA . 52491 1
104 . 1 . 1 11 11 LEU HB2 H 1 1.785 0.004 . 2 . . . . . 10 LEU HB2 . 52491 1
105 . 1 . 1 11 11 LEU HB3 H 1 1.897 0.008 . 2 . . . . . 10 LEU HB3 . 52491 1
106 . 1 . 1 11 11 LEU HG H 1 1.826 0.007 . 1 . . . . . 10 LEU HG . 52491 1
107 . 1 . 1 11 11 LEU HD11 H 1 0.913 0.005 . 2 . . . . . 10 LEU QD1 . 52491 1
108 . 1 . 1 11 11 LEU HD12 H 1 0.913 0.005 . 2 . . . . . 10 LEU QD1 . 52491 1
109 . 1 . 1 11 11 LEU HD13 H 1 0.913 0.005 . 2 . . . . . 10 LEU QD1 . 52491 1
110 . 1 . 1 11 11 LEU HD21 H 1 0.943 0.004 . 2 . . . . . 10 LEU QD2 . 52491 1
111 . 1 . 1 11 11 LEU HD22 H 1 0.943 0.004 . 2 . . . . . 10 LEU QD2 . 52491 1
112 . 1 . 1 11 11 LEU HD23 H 1 0.943 0.004 . 2 . . . . . 10 LEU QD2 . 52491 1
113 . 1 . 1 11 11 LEU CA C 13 58.235 0.000 . 1 . . . . . 10 LEU CA . 52491 1
114 . 1 . 1 11 11 LEU CB C 13 41.903 0.001 . 1 . . . . . 10 LEU CB . 52491 1
115 . 1 . 1 11 11 LEU CG C 13 26.840 0.000 . 1 . . . . . 10 LEU CG . 52491 1
116 . 1 . 1 11 11 LEU CD1 C 13 23.373 0.000 . 1 . . . . . 10 LEU CD1 . 52491 1
117 . 1 . 1 11 11 LEU CD2 C 13 24.505 0.000 . 1 . . . . . 10 LEU CD2 . 52491 1
118 . 1 . 1 11 11 LEU N N 15 121.003 0.000 . 1 . . . . . 10 LEU N . 52491 1
119 . 1 . 1 12 12 LEU H H 1 8.635 0.002 . 1 . . . . . 11 LEU H . 52491 1
120 . 1 . 1 12 12 LEU HA H 1 4.134 0.004 . 1 . . . . . 11 LEU HA . 52491 1
121 . 1 . 1 12 12 LEU HB2 H 1 1.486 0.004 . 2 . . . . . 11 LEU HB2 . 52491 1
122 . 1 . 1 12 12 LEU HB3 H 1 1.977 0.004 . 2 . . . . . 11 LEU HB3 . 52491 1
123 . 1 . 1 12 12 LEU HG H 1 1.962 0.006 . 1 . . . . . 11 LEU HG . 52491 1
124 . 1 . 1 12 12 LEU HD11 H 1 0.881 0.005 . 2 . . . . . 11 LEU QD1 . 52491 1
125 . 1 . 1 12 12 LEU HD12 H 1 0.881 0.005 . 2 . . . . . 11 LEU QD1 . 52491 1
126 . 1 . 1 12 12 LEU HD13 H 1 0.881 0.005 . 2 . . . . . 11 LEU QD1 . 52491 1
127 . 1 . 1 12 12 LEU HD21 H 1 0.924 0.006 . 2 . . . . . 11 LEU QD2 . 52491 1
128 . 1 . 1 12 12 LEU HD22 H 1 0.924 0.006 . 2 . . . . . 11 LEU QD2 . 52491 1
129 . 1 . 1 12 12 LEU HD23 H 1 0.924 0.006 . 2 . . . . . 11 LEU QD2 . 52491 1
130 . 1 . 1 12 12 LEU CA C 13 57.848 0.000 . 1 . . . . . 11 LEU CA . 52491 1
131 . 1 . 1 12 12 LEU CB C 13 41.532 0.010 . 1 . . . . . 11 LEU CB . 52491 1
132 . 1 . 1 12 12 LEU CG C 13 26.844 0.000 . 1 . . . . . 11 LEU CG . 52491 1
133 . 1 . 1 12 12 LEU CD1 C 13 22.007 0.000 . 1 . . . . . 11 LEU CD1 . 52491 1
134 . 1 . 1 12 12 LEU CD2 C 13 25.025 0.000 . 1 . . . . . 11 LEU CD2 . 52491 1
135 . 1 . 1 12 12 LEU N N 15 118.039 0.000 . 1 . . . . . 11 LEU N . 52491 1
136 . 1 . 1 13 13 ALA H H 1 8.000 0.005 . 1 . . . . . 12 ALA H . 52491 1
137 . 1 . 1 13 13 ALA HA H 1 4.129 0.001 . 1 . . . . . 12 ALA HA . 52491 1
138 . 1 . 1 13 13 ALA HB1 H 1 1.593 0.005 . 1 . . . . . 12 ALA HB# . 52491 1
139 . 1 . 1 13 13 ALA HB2 H 1 1.593 0.005 . 1 . . . . . 12 ALA HB# . 52491 1
140 . 1 . 1 13 13 ALA HB3 H 1 1.593 0.005 . 1 . . . . . 12 ALA HB# . 52491 1
141 . 1 . 1 13 13 ALA CA C 13 55.439 0.000 . 1 . . . . . 12 ALA CA . 52491 1
142 . 1 . 1 13 13 ALA CB C 13 17.894 0.000 . 1 . . . . . 12 ALA CB . 52491 1
143 . 1 . 1 13 13 ALA N N 15 120.921 0.000 . 1 . . . . . 12 ALA N . 52491 1
144 . 1 . 1 14 14 ASP H H 1 7.991 0.003 . 1 . . . . . 13 ASP H . 52491 1
145 . 1 . 1 14 14 ASP HA H 1 4.577 0.003 . 1 . . . . . 13 ASP HA . 52491 1
146 . 1 . 1 14 14 ASP HB2 H 1 2.974 0.005 . 2 . . . . . 13 ASP HB2 . 52491 1
147 . 1 . 1 14 14 ASP HB3 H 1 2.803 0.003 . 2 . . . . . 13 ASP HB3 . 52491 1
148 . 1 . 1 14 14 ASP CB C 13 40.391 0.003 . 1 . . . . . 13 ASP CB . 52491 1
149 . 1 . 1 14 14 ASP N N 15 119.638 0.000 . 1 . . . . . 13 ASP N . 52491 1
150 . 1 . 1 15 15 ILE H H 1 8.438 0.002 . 1 . . . . . 14 ILE H . 52491 1
151 . 1 . 1 15 15 ILE HA H 1 3.768 0.003 . 1 . . . . . 14 ILE HA . 52491 1
152 . 1 . 1 15 15 ILE HB H 1 2.046 0.004 . 1 . . . . . 14 ILE HB . 52491 1
153 . 1 . 1 15 15 ILE HG12 H 1 1.138 0.004 . 2 . . . . . 14 ILE HG12 . 52491 1
154 . 1 . 1 15 15 ILE HG13 H 1 1.872 0.003 . 2 . . . . . 14 ILE HG13 . 52491 1
155 . 1 . 1 15 15 ILE HG21 H 1 0.917 0.004 . 1 . . . . . 14 ILE QG2 . 52491 1
156 . 1 . 1 15 15 ILE HG22 H 1 0.917 0.004 . 1 . . . . . 14 ILE QG2 . 52491 1
157 . 1 . 1 15 15 ILE HG23 H 1 0.917 0.004 . 1 . . . . . 14 ILE QG2 . 52491 1
158 . 1 . 1 15 15 ILE HD11 H 1 0.882 0.004 . 1 . . . . . 14 ILE QD1 . 52491 1
159 . 1 . 1 15 15 ILE HD12 H 1 0.882 0.004 . 1 . . . . . 14 ILE QD1 . 52491 1
160 . 1 . 1 15 15 ILE HD13 H 1 0.882 0.004 . 1 . . . . . 14 ILE QD1 . 52491 1
161 . 1 . 1 15 15 ILE CA C 13 65.237 0.000 . 1 . . . . . 14 ILE CA . 52491 1
162 . 1 . 1 15 15 ILE CB C 13 38.160 0.000 . 1 . . . . . 14 ILE CB . 52491 1
163 . 1 . 1 15 15 ILE CG1 C 13 29.001 0.012 . 1 . . . . . 14 ILE CG1 . 52491 1
164 . 1 . 1 15 15 ILE CG2 C 13 16.730 0.000 . 1 . . . . . 14 ILE CG2 . 52491 1
165 . 1 . 1 15 15 ILE CD1 C 13 12.631 0.000 . 1 . . . . . 14 ILE CD1 . 52491 1
166 . 1 . 1 15 15 ILE N N 15 120.184 0.000 . 1 . . . . . 14 ILE N . 52491 1
167 . 1 . 1 16 16 ARG H H 1 8.411 0.004 . 1 . . . . . 15 ARG H . 52491 1
168 . 1 . 1 16 16 ARG HA H 1 4.071 0.002 . 1 . . . . . 15 ARG HA . 52491 1
169 . 1 . 1 16 16 ARG HB2 H 1 1.976 0.002 . 2 . . . . . 15 ARG HB2 . 52491 1
170 . 1 . 1 16 16 ARG HB3 H 1 2.024 0.004 . 2 . . . . . 15 ARG HB3 . 52491 1
171 . 1 . 1 16 16 ARG HG2 H 1 1.651 0.003 . 2 . . . . . 15 ARG HG2 . 52491 1
172 . 1 . 1 16 16 ARG HG3 H 1 1.955 0.005 . 2 . . . . . 15 ARG HG3 . 52491 1
173 . 1 . 1 16 16 ARG HD2 H 1 3.227 0.005 . 2 . . . . . 15 ARG HD2 . 52491 1
174 . 1 . 1 16 16 ARG HD3 H 1 3.227 0.005 . 2 . . . . . 15 ARG HD3 . 52491 1
175 . 1 . 1 16 16 ARG HE H 1 7.169 0.001 . 1 . . . . . 15 ARG HE . 52491 1
176 . 1 . 1 16 16 ARG CA C 13 60.109 0.000 . 1 . . . . . 15 ARG CA . 52491 1
177 . 1 . 1 16 16 ARG CB C 13 30.230 0.002 . 1 . . . . . 15 ARG CB . 52491 1
178 . 1 . 1 16 16 ARG CG C 13 28.000 0.009 . 1 . . . . . 15 ARG CG . 52491 1
179 . 1 . 1 16 16 ARG CD C 13 43.518 0.000 . 1 . . . . . 15 ARG CD . 52491 1
180 . 1 . 1 16 16 ARG N N 15 119.409 0.000 . 1 . . . . . 15 ARG N . 52491 1
181 . 1 . 1 16 16 ARG NE N 15 83.572 0.000 . 1 . . . . . 15 ARG NE . 52491 1
182 . 1 . 1 17 17 LYS H H 1 8.176 0.006 . 1 . . . . . 16 LYS H . 52491 1
183 . 1 . 1 17 17 LYS HA H 1 4.142 0.005 . 1 . . . . . 16 LYS HA . 52491 1
184 . 1 . 1 17 17 LYS HB2 H 1 2.037 0.003 . 2 . . . . . 16 LYS HB2 . 52491 1
185 . 1 . 1 17 17 LYS HB3 H 1 2.037 0.003 . 2 . . . . . 16 LYS HB3 . 52491 1
186 . 1 . 1 17 17 LYS HG2 H 1 1.484 0.004 . 2 . . . . . 16 LYS HG2 . 52491 1
187 . 1 . 1 17 17 LYS HG3 H 1 1.683 0.006 . 2 . . . . . 16 LYS HG3 . 52491 1
188 . 1 . 1 17 17 LYS HD2 H 1 1.791 0.006 . 2 . . . . . 16 LYS HD2 . 52491 1
189 . 1 . 1 17 17 LYS HD3 H 1 1.791 0.006 . 2 . . . . . 16 LYS HD3 . 52491 1
190 . 1 . 1 17 17 LYS HE2 H 1 2.994 0.005 . 2 . . . . . 16 LYS HE2 . 52491 1
191 . 1 . 1 17 17 LYS HE3 H 1 2.994 0.005 . 2 . . . . . 16 LYS HE3 . 52491 1
192 . 1 . 1 17 17 LYS CA C 13 59.612 0.000 . 1 . . . . . 16 LYS CA . 52491 1
193 . 1 . 1 17 17 LYS CB C 13 32.441 0.000 . 1 . . . . . 16 LYS CB . 52491 1
194 . 1 . 1 17 17 LYS CG C 13 25.029 0.015 . 1 . . . . . 16 LYS CG . 52491 1
195 . 1 . 1 17 17 LYS CD C 13 29.566 0.000 . 1 . . . . . 16 LYS CD . 52491 1
196 . 1 . 1 17 17 LYS CE C 13 42.148 0.000 . 1 . . . . . 16 LYS CE . 52491 1
197 . 1 . 1 17 17 LYS N N 15 119.600 0.000 . 1 . . . . . 16 LYS N . 52491 1
198 . 1 . 1 18 18 GLY H H 1 8.238 0.005 . 1 . . . . . 17 GLY H . 52491 1
199 . 1 . 1 18 18 GLY HA2 H 1 3.859 0.000 . 2 . . . . . 17 GLY HA2 . 52491 1
200 . 1 . 1 18 18 GLY HA3 H 1 3.963 0.001 . 2 . . . . . 17 GLY HA3 . 52491 1
201 . 1 . 1 18 18 GLY N N 15 106.659 0.000 . 1 . . . . . 17 GLY N . 52491 1
202 . 1 . 1 19 19 PHE H H 1 8.255 0.005 . 1 . . . . . 18 PHE H . 52491 1
203 . 1 . 1 19 19 PHE HA H 1 4.381 0.006 . 1 . . . . . 18 PHE HA . 52491 1
204 . 1 . 1 19 19 PHE HB2 H 1 3.264 0.004 . 2 . . . . . 18 PHE HB2 . 52491 1
205 . 1 . 1 19 19 PHE HB3 H 1 3.264 0.004 . 2 . . . . . 18 PHE HB3 . 52491 1
206 . 1 . 1 19 19 PHE HD1 H 1 7.312 0.004 . 1 . . . . . 18 PHE HD1 . 52491 1
207 . 1 . 1 19 19 PHE HD2 H 1 7.312 0.004 . 1 . . . . . 18 PHE HD2 . 52491 1
208 . 1 . 1 19 19 PHE HE1 H 1 7.312 0.003 . 1 . . . . . 18 PHE HE1 . 52491 1
209 . 1 . 1 19 19 PHE HE2 H 1 7.312 0.003 . 1 . . . . . 18 PHE HE2 . 52491 1
210 . 1 . 1 19 19 PHE HZ H 1 7.278 0.000 . 1 . . . . . 18 PHE HZ . 52491 1
211 . 1 . 1 19 19 PHE CB C 13 38.854 0.000 . 1 . . . . . 18 PHE CB . 52491 1
212 . 1 . 1 19 19 PHE CD1 C 13 131.379 0.000 . 1 . . . . . 18 PHE CD1 . 52491 1
213 . 1 . 1 19 19 PHE CE1 C 13 131.246 0.000 . 1 . . . . . 18 PHE CE1 . 52491 1
214 . 1 . 1 19 19 PHE CZ C 13 129.681 0.002 . 1 . . . . . 18 PHE CZ . 52491 1
215 . 1 . 1 19 19 PHE N N 15 120.955 0.000 . 1 . . . . . 18 PHE N . 52491 1
216 . 1 . 1 20 20 GLN H H 1 8.225 0.003 . 1 . . . . . 19 GLN H . 52491 1
217 . 1 . 1 20 20 GLN HA H 1 4.093 0.003 . 1 . . . . . 19 GLN HA . 52491 1
218 . 1 . 1 20 20 GLN HB2 H 1 2.255 0.005 . 2 . . . . . 19 GLN HB2 . 52491 1
219 . 1 . 1 20 20 GLN HB3 H 1 2.325 0.002 . 2 . . . . . 19 GLN HB3 . 52491 1
220 . 1 . 1 20 20 GLN HG2 H 1 2.550 0.002 . 2 . . . . . 19 GLN HG2 . 52491 1
221 . 1 . 1 20 20 GLN HG3 H 1 2.480 0.004 . 2 . . . . . 19 GLN HG3 . 52491 1
222 . 1 . 1 20 20 GLN HE21 H 1 6.779 0.001 . 2 . . . . . 19 GLN HE21 . 52491 1
223 . 1 . 1 20 20 GLN HE22 H 1 7.263 0.001 . 2 . . . . . 19 GLN HE22 . 52491 1
224 . 1 . 1 20 20 GLN CA C 13 58.641 0.000 . 1 . . . . . 19 GLN CA . 52491 1
225 . 1 . 1 20 20 GLN CB C 13 28.477 0.010 . 1 . . . . . 19 GLN CB . 52491 1
226 . 1 . 1 20 20 GLN CG C 13 33.755 0.005 . 1 . . . . . 19 GLN CG . 52491 1
227 . 1 . 1 20 20 GLN N N 15 118.911 0.000 . 1 . . . . . 19 GLN N . 52491 1
228 . 1 . 1 20 20 GLN NE2 N 15 109.819 0.020 . 1 . . . . . 19 GLN NE2 . 52491 1
229 . 1 . 1 21 21 LEU H H 1 8.385 0.007 . 1 . . . . . 20 LEU H . 52491 1
230 . 1 . 1 21 21 LEU HA H 1 4.182 0.003 . 1 . . . . . 20 LEU HA . 52491 1
231 . 1 . 1 21 21 LEU HB2 H 1 1.671 0.002 . 2 . . . . . 20 LEU HB2 . 52491 1
232 . 1 . 1 21 21 LEU HB3 H 1 1.906 0.003 . 2 . . . . . 20 LEU HB3 . 52491 1
233 . 1 . 1 21 21 LEU HG H 1 1.802 0.000 . 1 . . . . . 20 LEU HG . 52491 1
234 . 1 . 1 21 21 LEU HD11 H 1 0.917 0.005 . 2 . . . . . 20 LEU QD1 . 52491 1
235 . 1 . 1 21 21 LEU HD12 H 1 0.917 0.005 . 2 . . . . . 20 LEU QD1 . 52491 1
236 . 1 . 1 21 21 LEU HD13 H 1 0.917 0.005 . 2 . . . . . 20 LEU QD1 . 52491 1
237 . 1 . 1 21 21 LEU HD21 H 1 0.940 0.006 . 2 . . . . . 20 LEU QD2 . 52491 1
238 . 1 . 1 21 21 LEU HD22 H 1 0.940 0.006 . 2 . . . . . 20 LEU QD2 . 52491 1
239 . 1 . 1 21 21 LEU HD23 H 1 0.940 0.006 . 2 . . . . . 20 LEU QD2 . 52491 1
240 . 1 . 1 21 21 LEU CA C 13 58.093 0.000 . 1 . . . . . 20 LEU CA . 52491 1
241 . 1 . 1 21 21 LEU CB C 13 41.941 0.001 . 1 . . . . . 20 LEU CB . 52491 1
242 . 1 . 1 21 21 LEU CG C 13 26.943 0.000 . 1 . . . . . 20 LEU CG . 52491 1
243 . 1 . 1 21 21 LEU CD1 C 13 23.091 0.000 . 1 . . . . . 20 LEU CD1 . 52491 1
244 . 1 . 1 21 21 LEU CD2 C 13 24.037 0.000 . 1 . . . . . 20 LEU CD2 . 52491 1
245 . 1 . 1 21 21 LEU N N 15 120.882 0.000 . 1 . . . . . 20 LEU N . 52491 1
246 . 1 . 1 22 22 ARG H H 1 7.937 0.002 . 1 . . . . . 21 ARG H . 52491 1
247 . 1 . 1 22 22 ARG HA H 1 4.122 0.002 . 1 . . . . . 21 ARG HA . 52491 1
248 . 1 . 1 22 22 ARG HB2 H 1 1.916 0.004 . 2 . . . . . 21 ARG HB2 . 52491 1
249 . 1 . 1 22 22 ARG HB3 H 1 1.916 0.004 . 2 . . . . . 21 ARG HB3 . 52491 1
250 . 1 . 1 22 22 ARG HG2 H 1 1.663 0.004 . 2 . . . . . 21 ARG HG2 . 52491 1
251 . 1 . 1 22 22 ARG HG3 H 1 1.855 0.006 . 2 . . . . . 21 ARG HG3 . 52491 1
252 . 1 . 1 22 22 ARG HD2 H 1 3.163 0.003 . 2 . . . . . 21 ARG HD2 . 52491 1
253 . 1 . 1 22 22 ARG HD3 H 1 3.163 0.003 . 2 . . . . . 21 ARG HD3 . 52491 1
254 . 1 . 1 22 22 ARG HE H 1 7.207 0.002 . 1 . . . . . 21 ARG HE . 52491 1
255 . 1 . 1 22 22 ARG CA C 13 58.560 0.000 . 1 . . . . . 21 ARG CA . 52491 1
256 . 1 . 1 22 22 ARG CB C 13 30.133 0.000 . 1 . . . . . 21 ARG CB . 52491 1
257 . 1 . 1 22 22 ARG CG C 13 27.750 0.022 . 1 . . . . . 21 ARG CG . 52491 1
258 . 1 . 1 22 22 ARG CD C 13 43.339 0.000 . 1 . . . . . 21 ARG CD . 52491 1
259 . 1 . 1 22 22 ARG N N 15 118.246 0.000 . 1 . . . . . 21 ARG N . 52491 1
260 . 1 . 1 22 22 ARG NE N 15 83.871 0.000 . 1 . . . . . 21 ARG NE . 52491 1
261 . 1 . 1 23 23 LYS H H 1 8.042 0.001 . 1 . . . . . 22 LYS H . 52491 1
262 . 1 . 1 23 23 LYS HA H 1 4.177 0.004 . 1 . . . . . 22 LYS HA . 52491 1
263 . 1 . 1 23 23 LYS HB2 H 1 1.866 0.004 . 2 . . . . . 22 LYS HB2 . 52491 1
264 . 1 . 1 23 23 LYS HB3 H 1 1.904 0.004 . 2 . . . . . 22 LYS HB3 . 52491 1
265 . 1 . 1 23 23 LYS HG2 H 1 1.440 0.001 . 2 . . . . . 22 LYS HG2 . 52491 1
266 . 1 . 1 23 23 LYS HG3 H 1 1.492 0.003 . 2 . . . . . 22 LYS HG3 . 52491 1
267 . 1 . 1 23 23 LYS HD2 H 1 1.687 0.005 . 2 . . . . . 22 LYS HD2 . 52491 1
268 . 1 . 1 23 23 LYS HD3 H 1 1.687 0.005 . 2 . . . . . 22 LYS HD3 . 52491 1
269 . 1 . 1 23 23 LYS HE2 H 1 2.982 0.004 . 2 . . . . . 22 LYS HE2 . 52491 1
270 . 1 . 1 23 23 LYS HE3 H 1 2.982 0.004 . 2 . . . . . 22 LYS HE3 . 52491 1
271 . 1 . 1 23 23 LYS CA C 13 57.552 0.000 . 1 . . . . . 22 LYS CA . 52491 1
272 . 1 . 1 23 23 LYS CB C 13 32.552 0.009 . 1 . . . . . 22 LYS CB . 52491 1
273 . 1 . 1 23 23 LYS CG C 13 24.790 0.002 . 1 . . . . . 22 LYS CG . 52491 1
274 . 1 . 1 23 23 LYS CD C 13 29.175 0.000 . 1 . . . . . 22 LYS CD . 52491 1
275 . 1 . 1 23 23 LYS CE C 13 42.163 0.000 . 1 . . . . . 22 LYS CE . 52491 1
276 . 1 . 1 23 23 LYS N N 15 118.769 0.000 . 1 . . . . . 22 LYS N . 52491 1
277 . 1 . 1 24 24 THR H H 1 7.883 0.002 . 1 . . . . . 23 THR H . 52491 1
278 . 1 . 1 24 24 THR HA H 1 4.259 0.003 . 1 . . . . . 23 THR HA . 52491 1
279 . 1 . 1 24 24 THR HB H 1 4.356 0.004 . 1 . . . . . 23 THR HB . 52491 1
280 . 1 . 1 24 24 THR HG21 H 1 1.296 0.002 . 1 . . . . . 23 THR QG2 . 52491 1
281 . 1 . 1 24 24 THR HG22 H 1 1.296 0.002 . 1 . . . . . 23 THR QG2 . 52491 1
282 . 1 . 1 24 24 THR HG23 H 1 1.296 0.002 . 1 . . . . . 23 THR QG2 . 52491 1
283 . 1 . 1 24 24 THR CA C 13 63.434 0.000 . 1 . . . . . 23 THR CA . 52491 1
284 . 1 . 1 24 24 THR CB C 13 69.929 0.000 . 1 . . . . . 23 THR CB . 52491 1
285 . 1 . 1 24 24 THR CG2 C 13 21.192 0.000 . 1 . . . . . 23 THR CG2 . 52491 1
286 . 1 . 1 24 24 THR N N 15 112.667 0.000 . 1 . . . . . 23 THR N . 52491 1
287 . 1 . 1 25 25 ALA H H 1 8.067 0.004 . 1 . . . . . 24 ALA H . 52491 1
288 . 1 . 1 25 25 ALA HA H 1 4.301 0.003 . 1 . . . . . 24 ALA HA . 52491 1
289 . 1 . 1 25 25 ALA HB1 H 1 1.485 0.001 . 1 . . . . . 24 ALA HB# . 52491 1
290 . 1 . 1 25 25 ALA HB2 H 1 1.485 0.001 . 1 . . . . . 24 ALA HB# . 52491 1
291 . 1 . 1 25 25 ALA HB3 H 1 1.485 0.001 . 1 . . . . . 24 ALA HB# . 52491 1
292 . 1 . 1 25 25 ALA CA C 13 53.430 0.000 . 1 . . . . . 24 ALA CA . 52491 1
293 . 1 . 1 25 25 ALA CB C 13 18.653 0.000 . 1 . . . . . 24 ALA CB . 52491 1
294 . 1 . 1 25 25 ALA N N 15 124.854 0.000 . 1 . . . . . 24 ALA N . 52491 1
295 . 1 . 1 26 26 ARG H H 1 7.939 0.002 . 1 . . . . . 25 ARG H . 52491 1
296 . 1 . 1 26 26 ARG HA H 1 4.323 0.002 . 1 . . . . . 25 ARG HA . 52491 1
297 . 1 . 1 26 26 ARG HB2 H 1 1.841 0.004 . 2 . . . . . 25 ARG HB2 . 52491 1
298 . 1 . 1 26 26 ARG HB3 H 1 1.967 0.003 . 2 . . . . . 25 ARG HB3 . 52491 1
299 . 1 . 1 26 26 ARG HG2 H 1 1.711 0.004 . 2 . . . . . 25 ARG HG2 . 52491 1
300 . 1 . 1 26 26 ARG HG3 H 1 1.765 0.003 . 2 . . . . . 25 ARG HG3 . 52491 1
301 . 1 . 1 26 26 ARG HD2 H 1 3.239 0.004 . 2 . . . . . 25 ARG HD2 . 52491 1
302 . 1 . 1 26 26 ARG HD3 H 1 3.239 0.004 . 2 . . . . . 25 ARG HD3 . 52491 1
303 . 1 . 1 26 26 ARG HE H 1 7.238 0.002 . 1 . . . . . 25 ARG HE . 52491 1
304 . 1 . 1 26 26 ARG CA C 13 55.988 0.000 . 1 . . . . . 25 ARG CA . 52491 1
305 . 1 . 1 26 26 ARG CB C 13 30.831 0.002 . 1 . . . . . 25 ARG CB . 52491 1
306 . 1 . 1 26 26 ARG CG C 13 27.133 0.004 . 1 . . . . . 25 ARG CG . 52491 1
307 . 1 . 1 26 26 ARG CD C 13 43.338 0.000 . 1 . . . . . 25 ARG CD . 52491 1
308 . 1 . 1 26 26 ARG N N 15 118.544 0.000 . 1 . . . . . 25 ARG N . 52491 1
309 . 1 . 1 26 26 ARG NE N 15 84.224 0.000 . 1 . . . . . 25 ARG NE . 52491 1
310 . 1 . 1 27 27 NH2 HN1 H 1 7.026 0.001 . 2 . . . . . 26 NH2 HN1 . 52491 1
311 . 1 . 1 27 27 NH2 HN2 H 1 7.371 0.001 . 2 . . . . . 26 NH2 HN2 . 52491 1
312 . 1 . 1 27 27 NH2 N N 15 106.248 0.007 . 1 . . . . . 26 NH2 N . 52491 1
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