Content for NMR-STAR saveframe, assigned_chemical_shifts_2
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 52491
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name chemicalshift_list_2
_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
9 '2D 1H-1H COSY' . . . 52491 2
10 '2D 1H-1H TOCSY' . . . 52491 2
11 '2D 1H-1H NOESY' . . . 52491 2
12 '2D 1H-13C HSQC aliphatic' . . . 52491 2
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 2
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 2.096 0.000 . 1 . . . . . 0 ACE H1 . 52491 2
2 . 1 . 1 1 1 ACE H2 H 1 2.096 0.000 . 1 . . . . . 0 ACE H2 . 52491 2
3 . 1 . 1 1 1 ACE H3 H 1 2.096 0.000 . 1 . . . . . 0 ACE H3 . 52491 2
4 . 1 . 1 1 1 ACE C C 13 24.312 0.000 . 1 . . . . . 0 ACE C . 52491 2
5 . 1 . 1 2 2 GLN HA H 1 4.299 0.002 . 1 . . . . . 1 GLN HA . 52491 2
6 . 1 . 1 2 2 GLN HB2 H 1 2.043 0.000 . 2 . . . . . 1 GLN HB2 . 52491 2
7 . 1 . 1 2 2 GLN HB3 H 1 2.121 0.000 . 2 . . . . . 1 GLN HB3 . 52491 2
8 . 1 . 1 2 2 GLN HG2 H 1 2.393 0.003 . 2 . . . . . 1 GLN HG2 . 52491 2
9 . 1 . 1 2 2 GLN HG3 H 1 2.393 0.003 . 2 . . . . . 1 GLN HG3 . 52491 2
10 . 1 . 1 2 2 GLN CA C 13 56.547 0.000 . 1 . . . . . 1 GLN CA . 52491 2
11 . 1 . 1 2 2 GLN CB C 13 29.520 0.007 . 1 . . . . . 1 GLN CB . 52491 2
12 . 1 . 1 2 2 GLN CG C 13 33.777 0.000 . 1 . . . . . 1 GLN CG . 52491 2
13 . 1 . 1 3 3 GLU HA H 1 4.254 0.001 . 1 . . . . . 2 GLU HA . 52491 2
14 . 1 . 1 3 3 GLU HB2 H 1 2.035 0.000 . 2 . . . . . 2 GLU HB2 . 52491 2
15 . 1 . 1 3 3 GLU HB3 H 1 2.095 0.000 . 2 . . . . . 2 GLU HB3 . 52491 2
16 . 1 . 1 3 3 GLU HG2 H 1 2.361 0.004 . 2 . . . . . 2 GLU HG2 . 52491 2
17 . 1 . 1 3 3 GLU HG3 H 1 2.361 0.004 . 2 . . . . . 2 GLU HG3 . 52491 2
18 . 1 . 1 3 3 GLU CA C 13 57.773 0.000 . 1 . . . . . 2 GLU CA . 52491 2
19 . 1 . 1 3 3 GLU CB C 13 29.608 0.005 . 1 . . . . . 2 GLU CB . 52491 2
20 . 1 . 1 3 3 GLU CG C 13 35.907 0.000 . 1 . . . . . 2 GLU CG . 52491 2
21 . 1 . 1 4 4 GLU HA H 1 4.232 0.003 . 1 . . . . . 3 GLU HA . 52491 2
22 . 1 . 1 4 4 GLU HB2 H 1 2.088 0.004 . 2 . . . . . 3 GLU HB2 . 52491 2
23 . 1 . 1 4 4 GLU HB3 H 1 2.088 0.004 . 2 . . . . . 3 GLU HB3 . 52491 2
24 . 1 . 1 4 4 GLU HG2 H 1 2.355 0.003 . 2 . . . . . 3 GLU HG2 . 52491 2
25 . 1 . 1 4 4 GLU HG3 H 1 2.355 0.003 . 2 . . . . . 3 GLU HG3 . 52491 2
26 . 1 . 1 4 4 GLU CA C 13 57.920 0.000 . 1 . . . . . 3 GLU CA . 52491 2
27 . 1 . 1 4 4 GLU CB C 13 29.622 0.000 . 1 . . . . . 3 GLU CB . 52491 2
28 . 1 . 1 4 4 GLU CG C 13 35.885 0.000 . 1 . . . . . 3 GLU CG . 52491 2
29 . 1 . 1 5 5 VAL HA H 1 3.970 0.004 . 1 . . . . . 4 VAL HA . 52491 2
30 . 1 . 1 5 5 VAL HB H 1 2.155 0.002 . 1 . . . . . 4 VAL HB . 52491 2
31 . 1 . 1 5 5 VAL HG11 H 1 0.999 0.004 . 2 . . . . . 4 VAL QG1 . 52491 2
32 . 1 . 1 5 5 VAL HG12 H 1 0.999 0.004 . 2 . . . . . 4 VAL QG1 . 52491 2
33 . 1 . 1 5 5 VAL HG13 H 1 0.999 0.004 . 2 . . . . . 4 VAL QG1 . 52491 2
34 . 1 . 1 5 5 VAL HG21 H 1 1.033 0.002 . 2 . . . . . 4 VAL QG2 . 52491 2
35 . 1 . 1 5 5 VAL HG22 H 1 1.033 0.002 . 2 . . . . . 4 VAL QG2 . 52491 2
36 . 1 . 1 5 5 VAL HG23 H 1 1.033 0.002 . 2 . . . . . 4 VAL QG2 . 52491 2
37 . 1 . 1 5 5 VAL CA C 13 64.156 0.000 . 1 . . . . . 4 VAL CA . 52491 2
38 . 1 . 1 5 5 VAL CB C 13 32.349 0.000 . 1 . . . . . 4 VAL CB . 52491 2
39 . 1 . 1 5 5 VAL CG1 C 13 20.811 0.000 . 1 . . . . . 4 VAL CG1 . 52491 2
40 . 1 . 1 5 5 VAL CG2 C 13 20.997 0.000 . 1 . . . . . 4 VAL CG2 . 52491 2
41 . 1 . 1 6 6 SER HA H 1 4.487 0.001 . 1 . . . . . 5 SER HA . 52491 2
42 . 1 . 1 6 6 SER HB2 H 1 4.006 0.004 . 2 . . . . . 5 SER HB2 . 52491 2
43 . 1 . 1 6 6 SER HB3 H 1 4.075 0.005 . 2 . . . . . 5 SER HB3 . 52491 2
44 . 1 . 1 6 6 SER CA C 13 59.700 0.000 . 1 . . . . . 5 SER CA . 52491 2
45 . 1 . 1 6 6 SER CB C 13 63.578 0.016 . 1 . . . . . 5 SER CB . 52491 2
46 . 1 . 1 7 7 VAL HA H 1 3.843 0.004 . 1 . . . . . 6 VAL HA . 52491 2
47 . 1 . 1 7 7 VAL HB H 1 2.213 0.003 . 1 . . . . . 6 VAL HB . 52491 2
48 . 1 . 1 7 7 VAL HG11 H 1 1.000 0.003 . 2 . . . . . 6 VAL QG1 . 52491 2
49 . 1 . 1 7 7 VAL HG12 H 1 1.000 0.003 . 2 . . . . . 6 VAL QG1 . 52491 2
50 . 1 . 1 7 7 VAL HG13 H 1 1.000 0.003 . 2 . . . . . 6 VAL QG1 . 52491 2
51 . 1 . 1 7 7 VAL HG21 H 1 1.076 0.001 . 2 . . . . . 6 VAL QG2 . 52491 2
52 . 1 . 1 7 7 VAL HG22 H 1 1.076 0.001 . 2 . . . . . 6 VAL QG2 . 52491 2
53 . 1 . 1 7 7 VAL HG23 H 1 1.076 0.001 . 2 . . . . . 6 VAL QG2 . 52491 2
54 . 1 . 1 7 7 VAL CA C 13 64.127 0.000 . 1 . . . . . 6 VAL CA . 52491 2
55 . 1 . 1 7 7 VAL CB C 13 31.832 0.000 . 1 . . . . . 6 VAL CB . 52491 2
56 . 1 . 1 7 7 VAL CG1 C 13 20.325 0.000 . 1 . . . . . 6 VAL CG1 . 52491 2
57 . 1 . 1 7 7 VAL CG2 C 13 21.454 0.000 . 1 . . . . . 6 VAL CG2 . 52491 2
58 . 1 . 1 8 8 ILE HA H 1 3.838 0.003 . 1 . . . . . 7 ILE HA . 52491 2
59 . 1 . 1 8 8 ILE HB H 1 1.932 0.004 . 1 . . . . . 7 ILE HB . 52491 2
60 . 1 . 1 8 8 ILE HG12 H 1 1.286 0.002 . 2 . . . . . 7 ILE HG12 . 52491 2
61 . 1 . 1 8 8 ILE HG13 H 1 1.636 0.004 . 2 . . . . . 7 ILE HG13 . 52491 2
62 . 1 . 1 8 8 ILE HG21 H 1 0.962 0.003 . 1 . . . . . 7 ILE QG2 . 52491 2
63 . 1 . 1 8 8 ILE HG22 H 1 0.962 0.003 . 1 . . . . . 7 ILE QG2 . 52491 2
64 . 1 . 1 8 8 ILE HG23 H 1 0.962 0.003 . 1 . . . . . 7 ILE QG2 . 52491 2
65 . 1 . 1 8 8 ILE HD11 H 1 0.877 0.003 . 1 . . . . . 7 ILE QD1 . 52491 2
66 . 1 . 1 8 8 ILE HD12 H 1 0.877 0.003 . 1 . . . . . 7 ILE QD1 . 52491 2
67 . 1 . 1 8 8 ILE HD13 H 1 0.877 0.003 . 1 . . . . . 7 ILE QD1 . 52491 2
68 . 1 . 1 8 8 ILE CA C 13 65.772 0.000 . 1 . . . . . 7 ILE CA . 52491 2
69 . 1 . 1 8 8 ILE CB C 13 37.446 0.000 . 1 . . . . . 7 ILE CB . 52491 2
70 . 1 . 1 8 8 ILE CG1 C 13 28.599 0.011 . 1 . . . . . 7 ILE CG1 . 52491 2
71 . 1 . 1 8 8 ILE CG2 C 13 17.015 0.000 . 1 . . . . . 7 ILE CG2 . 52491 2
72 . 1 . 1 8 8 ILE CD1 C 13 11.614 0.000 . 1 . . . . . 7 ILE CD1 . 52491 2
73 . 1 . 1 9 9 ASP HA H 1 4.395 0.004 . 1 . . . . . 8 ASP HA . 52491 2
74 . 1 . 1 9 9 ASP HB2 H 1 2.838 0.002 . 2 . . . . . 8 ASP HB2 . 52491 2
75 . 1 . 1 9 9 ASP HB3 H 1 2.673 0.003 . 2 . . . . . 8 ASP HB3 . 52491 2
76 . 1 . 1 9 9 ASP CA C 13 57.703 0.000 . 1 . . . . . 8 ASP CA . 52491 2
77 . 1 . 1 9 9 ASP CB C 13 40.942 0.026 . 1 . . . . . 8 ASP CB . 52491 2
78 . 1 . 1 10 10 ALA HA H 1 4.163 0.003 . 1 . . . . . 9 ALA HA . 52491 2
79 . 1 . 1 10 10 ALA HB1 H 1 1.573 0.002 . 1 . . . . . 9 ALA HB# . 52491 2
80 . 1 . 1 10 10 ALA HB2 H 1 1.573 0.002 . 1 . . . . . 9 ALA HB# . 52491 2
81 . 1 . 1 10 10 ALA HB3 H 1 1.573 0.002 . 1 . . . . . 9 ALA HB# . 52491 2
82 . 1 . 1 10 10 ALA CA C 13 55.037 0.000 . 1 . . . . . 9 ALA CA . 52491 2
83 . 1 . 1 10 10 ALA CB C 13 17.700 0.000 . 1 . . . . . 9 ALA CB . 52491 2
84 . 1 . 1 11 11 LEU HA H 1 4.211 0.004 . 1 . . . . . 10 LEU HA . 52491 2
85 . 1 . 1 11 11 LEU HB2 H 1 1.780 0.005 . 2 . . . . . 10 LEU HB2 . 52491 2
86 . 1 . 1 11 11 LEU HB3 H 1 1.891 0.006 . 2 . . . . . 10 LEU HB3 . 52491 2
87 . 1 . 1 11 11 LEU HG H 1 1.824 0.006 . 1 . . . . . 10 LEU HG . 52491 2
88 . 1 . 1 11 11 LEU HD11 H 1 0.914 0.005 . 2 . . . . . 10 LEU QD1 . 52491 2
89 . 1 . 1 11 11 LEU HD12 H 1 0.914 0.005 . 2 . . . . . 10 LEU QD1 . 52491 2
90 . 1 . 1 11 11 LEU HD13 H 1 0.914 0.005 . 2 . . . . . 10 LEU QD1 . 52491 2
91 . 1 . 1 11 11 LEU HD21 H 1 0.942 0.002 . 2 . . . . . 10 LEU QD2 . 52491 2
92 . 1 . 1 11 11 LEU HD22 H 1 0.942 0.002 . 2 . . . . . 10 LEU QD2 . 52491 2
93 . 1 . 1 11 11 LEU HD23 H 1 0.942 0.002 . 2 . . . . . 10 LEU QD2 . 52491 2
94 . 1 . 1 11 11 LEU CA C 13 58.099 0.000 . 1 . . . . . 10 LEU CA . 52491 2
95 . 1 . 1 11 11 LEU CB C 13 41.877 0.014 . 1 . . . . . 10 LEU CB . 52491 2
96 . 1 . 1 11 11 LEU CG C 13 26.858 0.000 . 1 . . . . . 10 LEU CG . 52491 2
97 . 1 . 1 11 11 LEU CD1 C 13 23.383 0.000 . 1 . . . . . 10 LEU CD1 . 52491 2
98 . 1 . 1 11 11 LEU CD2 C 13 24.460 0.000 . 1 . . . . . 10 LEU CD2 . 52491 2
99 . 1 . 1 12 12 LEU HA H 1 4.138 0.004 . 1 . . . . . 11 LEU HA . 52491 2
100 . 1 . 1 12 12 LEU HB2 H 1 1.489 0.002 . 2 . . . . . 11 LEU HB2 . 52491 2
101 . 1 . 1 12 12 LEU HB3 H 1 1.973 0.002 . 2 . . . . . 11 LEU HB3 . 52491 2
102 . 1 . 1 12 12 LEU HG H 1 1.951 0.000 . 1 . . . . . 11 LEU HG . 52491 2
103 . 1 . 1 12 12 LEU HD11 H 1 0.877 0.003 . 2 . . . . . 11 LEU QD1 . 52491 2
104 . 1 . 1 12 12 LEU HD12 H 1 0.877 0.003 . 2 . . . . . 11 LEU QD1 . 52491 2
105 . 1 . 1 12 12 LEU HD13 H 1 0.877 0.003 . 2 . . . . . 11 LEU QD1 . 52491 2
106 . 1 . 1 12 12 LEU HD21 H 1 0.921 0.005 . 2 . . . . . 11 LEU QD2 . 52491 2
107 . 1 . 1 12 12 LEU HD22 H 1 0.921 0.005 . 2 . . . . . 11 LEU QD2 . 52491 2
108 . 1 . 1 12 12 LEU HD23 H 1 0.921 0.005 . 2 . . . . . 11 LEU QD2 . 52491 2
109 . 1 . 1 12 12 LEU CA C 13 57.556 0.000 . 1 . . . . . 11 LEU CA . 52491 2
110 . 1 . 1 12 12 LEU CB C 13 41.455 0.014 . 1 . . . . . 11 LEU CB . 52491 2
111 . 1 . 1 12 12 LEU CG C 13 26.854 0.000 . 1 . . . . . 11 LEU CG . 52491 2
112 . 1 . 1 12 12 LEU CD1 C 13 21.997 0.000 . 1 . . . . . 11 LEU CD1 . 52491 2
113 . 1 . 1 12 12 LEU CD2 C 13 24.990 0.000 . 1 . . . . . 11 LEU CD2 . 52491 2
114 . 1 . 1 13 13 ALA HA H 1 4.125 0.002 . 1 . . . . . 12 ALA HA . 52491 2
115 . 1 . 1 13 13 ALA HB1 H 1 1.590 0.007 . 1 . . . . . 12 ALA HB# . 52491 2
116 . 1 . 1 13 13 ALA HB2 H 1 1.590 0.007 . 1 . . . . . 12 ALA HB# . 52491 2
117 . 1 . 1 13 13 ALA HB3 H 1 1.590 0.007 . 1 . . . . . 12 ALA HB# . 52491 2
118 . 1 . 1 13 13 ALA CA C 13 55.337 0.000 . 1 . . . . . 12 ALA CA . 52491 2
119 . 1 . 1 13 13 ALA CB C 13 17.815 0.000 . 1 . . . . . 12 ALA CB . 52491 2
120 . 1 . 1 14 14 ASP HA H 1 4.584 0.002 . 1 . . . . . 13 ASP HA . 52491 2
121 . 1 . 1 14 14 ASP HB2 H 1 2.922 0.004 . 2 . . . . . 13 ASP HB2 . 52491 2
122 . 1 . 1 14 14 ASP HB3 H 1 2.780 0.004 . 2 . . . . . 13 ASP HB3 . 52491 2
123 . 1 . 1 14 14 ASP CA C 13 57.473 0.000 . 1 . . . . . 13 ASP CA . 52491 2
124 . 1 . 1 14 14 ASP CB C 13 40.762 0.003 . 1 . . . . . 13 ASP CB . 52491 2
125 . 1 . 1 15 15 ILE HA H 1 3.765 0.005 . 1 . . . . . 14 ILE HA . 52491 2
126 . 1 . 1 15 15 ILE HB H 1 2.042 0.002 . 1 . . . . . 14 ILE HB . 52491 2
127 . 1 . 1 15 15 ILE HG12 H 1 1.137 0.004 . 2 . . . . . 14 ILE HG12 . 52491 2
128 . 1 . 1 15 15 ILE HG13 H 1 1.865 0.003 . 2 . . . . . 14 ILE HG13 . 52491 2
129 . 1 . 1 15 15 ILE HG21 H 1 0.913 0.001 . 1 . . . . . 14 ILE QG2 . 52491 2
130 . 1 . 1 15 15 ILE HG22 H 1 0.913 0.001 . 1 . . . . . 14 ILE QG2 . 52491 2
131 . 1 . 1 15 15 ILE HG23 H 1 0.913 0.001 . 1 . . . . . 14 ILE QG2 . 52491 2
132 . 1 . 1 15 15 ILE HD11 H 1 0.885 0.006 . 1 . . . . . 14 ILE QD1 . 52491 2
133 . 1 . 1 15 15 ILE HD12 H 1 0.885 0.006 . 1 . . . . . 14 ILE QD1 . 52491 2
134 . 1 . 1 15 15 ILE HD13 H 1 0.885 0.006 . 1 . . . . . 14 ILE QD1 . 52491 2
135 . 1 . 1 15 15 ILE CA C 13 65.119 0.000 . 1 . . . . . 14 ILE CA . 52491 2
136 . 1 . 1 15 15 ILE CB C 13 38.061 0.000 . 1 . . . . . 14 ILE CB . 52491 2
137 . 1 . 1 15 15 ILE CG1 C 13 28.971 0.008 . 1 . . . . . 14 ILE CG1 . 52491 2
138 . 1 . 1 15 15 ILE CG2 C 13 16.705 0.000 . 1 . . . . . 14 ILE CG2 . 52491 2
139 . 1 . 1 15 15 ILE CD1 C 13 12.596 0.000 . 1 . . . . . 14 ILE CD1 . 52491 2
140 . 1 . 1 16 16 ARG HA H 1 4.060 0.003 . 1 . . . . . 15 ARG HA . 52491 2
141 . 1 . 1 16 16 ARG HB2 H 1 1.966 0.002 . 2 . . . . . 15 ARG HB2 . 52491 2
142 . 1 . 1 16 16 ARG HB3 H 1 2.018 0.009 . 2 . . . . . 15 ARG HB3 . 52491 2
143 . 1 . 1 16 16 ARG HG2 H 1 1.649 0.002 . 2 . . . . . 15 ARG HG2 . 52491 2
144 . 1 . 1 16 16 ARG HG3 H 1 1.962 0.000 . 2 . . . . . 15 ARG HG3 . 52491 2
145 . 1 . 1 16 16 ARG HD2 H 1 3.225 0.001 . 2 . . . . . 15 ARG HD2 . 52491 2
146 . 1 . 1 16 16 ARG HD3 H 1 3.225 0.001 . 2 . . . . . 15 ARG HD3 . 52491 2
147 . 1 . 1 16 16 ARG CA C 13 59.975 0.000 . 1 . . . . . 15 ARG CA . 52491 2
148 . 1 . 1 16 16 ARG CB C 13 30.151 0.021 . 1 . . . . . 15 ARG CB . 52491 2
149 . 1 . 1 16 16 ARG CG C 13 27.959 0.032 . 1 . . . . . 15 ARG CG . 52491 2
150 . 1 . 1 16 16 ARG CD C 13 43.334 0.000 . 1 . . . . . 15 ARG CD . 52491 2
151 . 1 . 1 17 17 LYS HA H 1 4.140 0.006 . 1 . . . . . 16 LYS HA . 52491 2
152 . 1 . 1 17 17 LYS HB2 H 1 2.036 0.004 . 2 . . . . . 16 LYS HB2 . 52491 2
153 . 1 . 1 17 17 LYS HB3 H 1 2.036 0.004 . 2 . . . . . 16 LYS HB3 . 52491 2
154 . 1 . 1 17 17 LYS HG2 H 1 1.488 0.003 . 2 . . . . . 16 LYS HG2 . 52491 2
155 . 1 . 1 17 17 LYS HG3 H 1 1.676 0.000 . 2 . . . . . 16 LYS HG3 . 52491 2
156 . 1 . 1 17 17 LYS HD2 H 1 1.784 0.001 . 2 . . . . . 16 LYS HD2 . 52491 2
157 . 1 . 1 17 17 LYS HD3 H 1 1.784 0.001 . 2 . . . . . 16 LYS HD3 . 52491 2
158 . 1 . 1 17 17 LYS HE2 H 1 2.987 0.003 . 2 . . . . . 16 LYS HE2 . 52491 2
159 . 1 . 1 17 17 LYS HE3 H 1 2.987 0.003 . 2 . . . . . 16 LYS HE3 . 52491 2
160 . 1 . 1 17 17 LYS CA C 13 59.492 0.000 . 1 . . . . . 16 LYS CA . 52491 2
161 . 1 . 1 17 17 LYS CB C 13 32.375 0.000 . 1 . . . . . 16 LYS CB . 52491 2
162 . 1 . 1 17 17 LYS CG C 13 24.993 0.021 . 1 . . . . . 16 LYS CG . 52491 2
163 . 1 . 1 17 17 LYS CD C 13 29.414 0.000 . 1 . . . . . 16 LYS CD . 52491 2
164 . 1 . 1 17 17 LYS CE C 13 41.876 0.000 . 1 . . . . . 16 LYS CE . 52491 2
165 . 1 . 1 18 18 GLY HA2 H 1 3.853 0.000 . 2 . . . . . 17 GLY HA2 . 52491 2
166 . 1 . 1 18 18 GLY HA3 H 1 3.964 0.000 . 2 . . . . . 17 GLY HA3 . 52491 2
167 . 1 . 1 18 18 GLY CA C 13 46.958 0.011 . 1 . . . . . 17 GLY CA . 52491 2
168 . 1 . 1 19 19 PHE HA H 1 4.378 0.004 . 1 . . . . . 18 PHE HA . 52491 2
169 . 1 . 1 19 19 PHE HB2 H 1 3.264 0.003 . 2 . . . . . 18 PHE HB2 . 52491 2
170 . 1 . 1 19 19 PHE HB3 H 1 3.264 0.003 . 2 . . . . . 18 PHE HB3 . 52491 2
171 . 1 . 1 19 19 PHE HD1 H 1 7.308 0.001 . 1 . . . . . 18 PHE HD1 . 52491 2
172 . 1 . 1 19 19 PHE HD2 H 1 7.308 0.001 . 1 . . . . . 18 PHE HD2 . 52491 2
173 . 1 . 1 19 19 PHE HZ H 1 7.283 0.000 . 1 . . . . . 18 PHE HZ . 52491 2
174 . 1 . 1 19 19 PHE CA C 13 60.802 0.000 . 1 . . . . . 18 PHE CA . 52491 2
175 . 1 . 1 19 19 PHE CB C 13 38.781 0.000 . 1 . . . . . 18 PHE CB . 52491 2
176 . 1 . 1 20 20 GLN HA H 1 4.089 0.003 . 1 . . . . . 19 GLN HA . 52491 2
177 . 1 . 1 20 20 GLN HB2 H 1 2.249 0.003 . 2 . . . . . 19 GLN HB2 . 52491 2
178 . 1 . 1 20 20 GLN HB3 H 1 2.318 0.004 . 2 . . . . . 19 GLN HB3 . 52491 2
179 . 1 . 1 20 20 GLN HG2 H 1 2.544 0.003 . 2 . . . . . 19 GLN HG2 . 52491 2
180 . 1 . 1 20 20 GLN HG3 H 1 2.474 0.003 . 2 . . . . . 19 GLN HG3 . 52491 2
181 . 1 . 1 20 20 GLN CA C 13 58.527 0.000 . 1 . . . . . 19 GLN CA . 52491 2
182 . 1 . 1 20 20 GLN CB C 13 28.395 0.001 . 1 . . . . . 19 GLN CB . 52491 2
183 . 1 . 1 20 20 GLN CG C 13 33.677 0.009 . 1 . . . . . 19 GLN CG . 52491 2
184 . 1 . 1 21 21 LEU HA H 1 4.177 0.005 . 1 . . . . . 20 LEU HA . 52491 2
185 . 1 . 1 21 21 LEU HB2 H 1 1.668 0.000 . 2 . . . . . 20 LEU HB2 . 52491 2
186 . 1 . 1 21 21 LEU HB3 H 1 1.901 0.000 . 2 . . . . . 20 LEU HB3 . 52491 2
187 . 1 . 1 21 21 LEU HG H 1 1.791 0.000 . 1 . . . . . 20 LEU HG . 52491 2
188 . 1 . 1 21 21 LEU HD11 H 1 0.913 0.002 . 2 . . . . . 20 LEU QD1 . 52491 2
189 . 1 . 1 21 21 LEU HD12 H 1 0.913 0.002 . 2 . . . . . 20 LEU QD1 . 52491 2
190 . 1 . 1 21 21 LEU HD13 H 1 0.913 0.002 . 2 . . . . . 20 LEU QD1 . 52491 2
191 . 1 . 1 21 21 LEU HD21 H 1 0.937 0.005 . 2 . . . . . 20 LEU QD2 . 52491 2
192 . 1 . 1 21 21 LEU HD22 H 1 0.937 0.005 . 2 . . . . . 20 LEU QD2 . 52491 2
193 . 1 . 1 21 21 LEU HD23 H 1 0.937 0.005 . 2 . . . . . 20 LEU QD2 . 52491 2
194 . 1 . 1 21 21 LEU CA C 13 57.956 0.000 . 1 . . . . . 20 LEU CA . 52491 2
195 . 1 . 1 21 21 LEU CB C 13 41.872 0.017 . 1 . . . . . 20 LEU CB . 52491 2
196 . 1 . 1 21 21 LEU CG C 13 26.908 0.000 . 1 . . . . . 20 LEU CG . 52491 2
197 . 1 . 1 21 21 LEU CD1 C 13 23.044 0.000 . 1 . . . . . 20 LEU CD1 . 52491 2
198 . 1 . 1 21 21 LEU CD2 C 13 24.010 0.000 . 1 . . . . . 20 LEU CD2 . 52491 2
199 . 1 . 1 22 22 ARG HA H 1 4.119 0.002 . 1 . . . . . 21 ARG HA . 52491 2
200 . 1 . 1 22 22 ARG HB2 H 1 1.917 0.003 . 2 . . . . . 21 ARG HB2 . 52491 2
201 . 1 . 1 22 22 ARG HB3 H 1 1.917 0.003 . 2 . . . . . 21 ARG HB3 . 52491 2
202 . 1 . 1 22 22 ARG HG2 H 1 1.656 0.001 . 2 . . . . . 21 ARG HG2 . 52491 2
203 . 1 . 1 22 22 ARG HG3 H 1 1.847 0.003 . 2 . . . . . 21 ARG HG3 . 52491 2
204 . 1 . 1 22 22 ARG HD2 H 1 3.161 0.003 . 2 . . . . . 21 ARG HD2 . 52491 2
205 . 1 . 1 22 22 ARG HD3 H 1 3.161 0.003 . 2 . . . . . 21 ARG HD3 . 52491 2
206 . 1 . 1 22 22 ARG CA C 13 58.411 0.000 . 1 . . . . . 21 ARG CA . 52491 2
207 . 1 . 1 22 22 ARG CB C 13 30.036 0.000 . 1 . . . . . 21 ARG CB . 52491 2
208 . 1 . 1 22 22 ARG CG C 13 27.681 0.002 . 1 . . . . . 21 ARG CG . 52491 2
209 . 1 . 1 22 22 ARG CD C 13 43.172 0.000 . 1 . . . . . 21 ARG CD . 52491 2
210 . 1 . 1 23 23 LYS HA H 1 4.169 0.010 . 1 . . . . . 22 LYS HA . 52491 2
211 . 1 . 1 23 23 LYS HB2 H 1 1.851 0.000 . 2 . . . . . 22 LYS HB2 . 52491 2
212 . 1 . 1 23 23 LYS HB3 H 1 1.895 0.008 . 2 . . . . . 22 LYS HB3 . 52491 2
213 . 1 . 1 23 23 LYS HG2 H 1 1.436 0.003 . 2 . . . . . 22 LYS HG2 . 52491 2
214 . 1 . 1 23 23 LYS HG3 H 1 1.493 0.004 . 2 . . . . . 22 LYS HG3 . 52491 2
215 . 1 . 1 23 23 LYS HD2 H 1 1.680 0.006 . 2 . . . . . 22 LYS HD2 . 52491 2
216 . 1 . 1 23 23 LYS HD3 H 1 1.680 0.006 . 2 . . . . . 22 LYS HD3 . 52491 2
217 . 1 . 1 23 23 LYS HE2 H 1 2.972 0.000 . 2 . . . . . 22 LYS HE2 . 52491 2
218 . 1 . 1 23 23 LYS HE3 H 1 2.972 0.000 . 2 . . . . . 22 LYS HE3 . 52491 2
219 . 1 . 1 23 23 LYS CA C 13 57.450 0.000 . 1 . . . . . 22 LYS CA . 52491 2
220 . 1 . 1 23 23 LYS CB C 13 32.454 0.002 . 1 . . . . . 22 LYS CB . 52491 2
221 . 1 . 1 23 23 LYS CG C 13 24.790 0.002 . 1 . . . . . 22 LYS CG . 52491 2
222 . 1 . 1 23 23 LYS CD C 13 29.030 0.000 . 1 . . . . . 22 LYS CD . 52491 2
223 . 1 . 1 23 23 LYS CE C 13 41.891 0.000 . 1 . . . . . 22 LYS CE . 52491 2
224 . 1 . 1 24 24 THR HA H 1 4.246 0.002 . 1 . . . . . 23 THR HA . 52491 2
225 . 1 . 1 24 24 THR HB H 1 4.347 0.003 . 1 . . . . . 23 THR HB . 52491 2
226 . 1 . 1 24 24 THR HG21 H 1 1.292 0.003 . 1 . . . . . 23 THR QG2 . 52491 2
227 . 1 . 1 24 24 THR HG22 H 1 1.292 0.003 . 1 . . . . . 23 THR QG2 . 52491 2
228 . 1 . 1 24 24 THR HG23 H 1 1.292 0.003 . 1 . . . . . 23 THR QG2 . 52491 2
229 . 1 . 1 24 24 THR CA C 13 63.373 0.000 . 1 . . . . . 23 THR CA . 52491 2
230 . 1 . 1 24 24 THR CB C 13 69.736 0.000 . 1 . . . . . 23 THR CB . 52491 2
231 . 1 . 1 24 24 THR CG2 C 13 21.096 0.000 . 1 . . . . . 23 THR CG2 . 52491 2
232 . 1 . 1 25 25 ALA HA H 1 4.297 0.004 . 1 . . . . . 24 ALA HA . 52491 2
233 . 1 . 1 25 25 ALA HB1 H 1 1.484 0.002 . 1 . . . . . 24 ALA HB# . 52491 2
234 . 1 . 1 25 25 ALA HB2 H 1 1.484 0.002 . 1 . . . . . 24 ALA HB# . 52491 2
235 . 1 . 1 25 25 ALA HB3 H 1 1.484 0.002 . 1 . . . . . 24 ALA HB# . 52491 2
236 . 1 . 1 25 25 ALA CA C 13 53.307 0.000 . 1 . . . . . 24 ALA CA . 52491 2
237 . 1 . 1 25 25 ALA CB C 13 18.553 0.000 . 1 . . . . . 24 ALA CB . 52491 2
238 . 1 . 1 26 26 ARG HA H 1 4.310 0.002 . 1 . . . . . 25 ARG HA . 52491 2
239 . 1 . 1 26 26 ARG HB2 H 1 1.841 0.004 . 2 . . . . . 25 ARG HB2 . 52491 2
240 . 1 . 1 26 26 ARG HB3 H 1 1.960 0.007 . 2 . . . . . 25 ARG HB3 . 52491 2
241 . 1 . 1 26 26 ARG HG2 H 1 1.707 0.004 . 2 . . . . . 25 ARG HG2 . 52491 2
242 . 1 . 1 26 26 ARG HG3 H 1 1.763 0.004 . 2 . . . . . 25 ARG HG3 . 52491 2
243 . 1 . 1 26 26 ARG HD2 H 1 3.236 0.004 . 2 . . . . . 25 ARG HD2 . 52491 2
244 . 1 . 1 26 26 ARG HD3 H 1 3.236 0.004 . 2 . . . . . 25 ARG HD3 . 52491 2
245 . 1 . 1 26 26 ARG CA C 13 55.858 0.000 . 1 . . . . . 25 ARG CA . 52491 2
246 . 1 . 1 26 26 ARG CB C 13 30.727 0.003 . 1 . . . . . 25 ARG CB . 52491 2
247 . 1 . 1 26 26 ARG CG C 13 27.076 0.028 . 1 . . . . . 25 ARG CG . 52491 2
248 . 1 . 1 26 26 ARG CD C 13 43.150 0.000 . 1 . . . . . 25 ARG CD . 52491 2
stop_
save_