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 51519
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name main
_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-15N HSQC' . . . 51519 1
2 '2D 1H-13C HSQC' . . . 51519 1
3 '2D 1H-13C HSQC aliphatic' . . . 51519 1
4 '3D CBCA(CO)NH' . . . 51519 1
5 '3D HNCACB' . . . 51519 1
6 '3D HN(CO)CA' . . . 51519 1
7 '3D HNCA' . . . 51519 1
8 '3D HCCH-TOCSY' . . . 51519 1
9 '3D (H)CCH-TOCSY' . . . 51519 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
1 $software_1 . . 51519 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 26 26 SER CA C 13 61.768 0.000 . 1 . . . . . 26 SER CA . 51519 1
2 . 1 . 1 26 26 SER CB C 13 63.738 0.000 . 1 . . . . . 26 SER CB . 51519 1
3 . 1 . 1 27 27 ILE HA H 1 3.651 0.011 . 1 . . . . . 27 ILE HA . 51519 1
4 . 1 . 1 27 27 ILE HB H 1 1.860 0.008 . 1 . . . . . 27 ILE HB . 51519 1
5 . 1 . 1 27 27 ILE HG12 H 1 1.517 0.008 . 2 . . . . . 27 ILE HG12 . 51519 1
6 . 1 . 1 27 27 ILE HG13 H 1 1.120 0.013 . 2 . . . . . 27 ILE HG13 . 51519 1
7 . 1 . 1 27 27 ILE HG21 H 1 0.769 0.008 . 1 . . . . . 27 ILE HG21 . 51519 1
8 . 1 . 1 27 27 ILE HG22 H 1 0.769 0.008 . 1 . . . . . 27 ILE HG22 . 51519 1
9 . 1 . 1 27 27 ILE HG23 H 1 0.769 0.008 . 1 . . . . . 27 ILE HG23 . 51519 1
10 . 1 . 1 27 27 ILE HD11 H 1 0.666 0.011 . 1 . . . . . 27 ILE HD11 . 51519 1
11 . 1 . 1 27 27 ILE HD12 H 1 0.666 0.011 . 1 . . . . . 27 ILE HD12 . 51519 1
12 . 1 . 1 27 27 ILE HD13 H 1 0.666 0.011 . 1 . . . . . 27 ILE HD13 . 51519 1
13 . 1 . 1 27 27 ILE CA C 13 63.771 0.135 . 1 . . . . . 27 ILE CA . 51519 1
14 . 1 . 1 27 27 ILE CB C 13 37.824 0.114 . 1 . . . . . 27 ILE CB . 51519 1
15 . 1 . 1 27 27 ILE CG1 C 13 28.350 0.041 . 1 . . . . . 27 ILE CG1 . 51519 1
16 . 1 . 1 27 27 ILE CG2 C 13 17.535 0.110 . 1 . . . . . 27 ILE CG2 . 51519 1
17 . 1 . 1 27 27 ILE CD1 C 13 12.493 0.120 . 1 . . . . . 27 ILE CD1 . 51519 1
18 . 1 . 1 28 28 GLU HA H 1 3.984 0.013 . 1 . . . . . 28 GLU HA . 51519 1
19 . 1 . 1 28 28 GLU HB2 H 1 2.034 0.015 . 2 . . . . . 28 GLU HB2 . 51519 1
20 . 1 . 1 28 28 GLU HB3 H 1 2.129 0.000 . 2 . . . . . 28 GLU HB3 . 51519 1
21 . 1 . 1 28 28 GLU C C 13 180.353 0.000 . 1 . . . . . 28 GLU C . 51519 1
22 . 1 . 1 28 28 GLU CA C 13 59.922 0.000 . 1 . . . . . 28 GLU CA . 51519 1
23 . 1 . 1 28 28 GLU CB C 13 29.518 0.000 . 1 . . . . . 28 GLU CB . 51519 1
24 . 1 . 1 29 29 MET H H 1 8.274 0.008 . 1 . . . . . 29 MET H . 51519 1
25 . 1 . 1 29 29 MET HA H 1 3.959 0.020 . 1 . . . . . 29 MET HA . 51519 1
26 . 1 . 1 29 29 MET HB2 H 1 2.069 0.017 . 2 . . . . . 29 MET HB2 . 51519 1
27 . 1 . 1 29 29 MET HB3 H 1 1.683 0.012 . 2 . . . . . 29 MET HB3 . 51519 1
28 . 1 . 1 29 29 MET HE1 H 1 1.965 0.005 . 1 . . . . . 29 MET HE1 . 51519 1
29 . 1 . 1 29 29 MET HE2 H 1 1.965 0.005 . 1 . . . . . 29 MET HE2 . 51519 1
30 . 1 . 1 29 29 MET HE3 H 1 1.965 0.005 . 1 . . . . . 29 MET HE3 . 51519 1
31 . 1 . 1 29 29 MET C C 13 178.252 0.024 . 1 . . . . . 29 MET C . 51519 1
32 . 1 . 1 29 29 MET CA C 13 59.541 0.000 . 1 . . . . . 29 MET CA . 51519 1
33 . 1 . 1 29 29 MET CB C 13 34.010 0.000 . 1 . . . . . 29 MET CB . 51519 1
34 . 1 . 1 29 29 MET CE C 13 18.102 0.014 . 1 . . . . . 29 MET CE . 51519 1
35 . 1 . 1 29 29 MET N N 15 119.477 0.012 . 1 . . . . . 29 MET N . 51519 1
36 . 1 . 1 30 30 ALA H H 1 7.728 0.006 . 1 . . . . . 30 ALA H . 51519 1
37 . 1 . 1 30 30 ALA HA H 1 3.124 0.008 . 1 . . . . . 30 ALA HA . 51519 1
38 . 1 . 1 30 30 ALA HB1 H 1 1.366 0.008 . 1 . . . . . 30 ALA HB1 . 51519 1
39 . 1 . 1 30 30 ALA HB2 H 1 1.366 0.008 . 1 . . . . . 30 ALA HB2 . 51519 1
40 . 1 . 1 30 30 ALA HB3 H 1 1.366 0.008 . 1 . . . . . 30 ALA HB3 . 51519 1
41 . 1 . 1 30 30 ALA C C 13 178.404 0.000 . 1 . . . . . 30 ALA C . 51519 1
42 . 1 . 1 30 30 ALA CA C 13 54.700 0.068 . 1 . . . . . 30 ALA CA . 51519 1
43 . 1 . 1 30 30 ALA CB C 13 18.144 0.074 . 1 . . . . . 30 ALA CB . 51519 1
44 . 1 . 1 30 30 ALA N N 15 120.835 0.003 . 1 . . . . . 30 ALA N . 51519 1
45 . 1 . 1 31 31 HIS H H 1 8.603 0.008 . 1 . . . . . 31 HIS H . 51519 1
46 . 1 . 1 31 31 HIS HA H 1 4.222 0.007 . 1 . . . . . 31 HIS HA . 51519 1
47 . 1 . 1 31 31 HIS HB2 H 1 3.111 0.017 . 2 . . . . . 31 HIS HB2 . 51519 1
48 . 1 . 1 31 31 HIS HB3 H 1 3.130 0.006 . 2 . . . . . 31 HIS HB3 . 51519 1
49 . 1 . 1 31 31 HIS HD2 H 1 6.899 0.001 . 1 . . . . . 31 HIS HD2 . 51519 1
50 . 1 . 1 31 31 HIS C C 13 178.332 0.072 . 1 . . . . . 31 HIS C . 51519 1
51 . 1 . 1 31 31 HIS CA C 13 59.892 0.079 . 1 . . . . . 31 HIS CA . 51519 1
52 . 1 . 1 31 31 HIS CB C 13 30.272 0.118 . 1 . . . . . 31 HIS CB . 51519 1
53 . 1 . 1 31 31 HIS CD2 C 13 120.353 0.000 . 1 . . . . . 31 HIS CD2 . 51519 1
54 . 1 . 1 31 31 HIS N N 15 117.460 0.021 . 1 . . . . . 31 HIS N . 51519 1
55 . 1 . 1 32 32 SER H H 1 8.319 0.006 . 1 . . . . . 32 SER H . 51519 1
56 . 1 . 1 32 32 SER HA H 1 4.152 0.018 . 1 . . . . . 32 SER HA . 51519 1
57 . 1 . 1 32 32 SER HB2 H 1 3.913 0.015 . 2 . . . . . 32 SER HB2 . 51519 1
58 . 1 . 1 32 32 SER HB3 H 1 3.981 0.007 . 2 . . . . . 32 SER HB3 . 51519 1
59 . 1 . 1 32 32 SER C C 13 176.816 0.000 . 1 . . . . . 32 SER C . 51519 1
60 . 1 . 1 32 32 SER CA C 13 62.571 0.062 . 1 . . . . . 32 SER CA . 51519 1
61 . 1 . 1 32 32 SER CB C 13 62.571 0.000 . 1 . . . . . 32 SER CB . 51519 1
62 . 1 . 1 32 32 SER N N 15 115.855 0.090 . 1 . . . . . 32 SER N . 51519 1
63 . 1 . 1 33 33 LEU H H 1 7.290 0.008 . 1 . . . . . 33 LEU H . 51519 1
64 . 1 . 1 33 33 LEU HA H 1 4.000 0.011 . 1 . . . . . 33 LEU HA . 51519 1
65 . 1 . 1 33 33 LEU HB2 H 1 1.543 0.012 . 2 . . . . . 33 LEU HB2 . 51519 1
66 . 1 . 1 33 33 LEU HB3 H 1 1.686 0.009 . 2 . . . . . 33 LEU HB3 . 51519 1
67 . 1 . 1 33 33 LEU HG H 1 1.689 0.013 . 1 . . . . . 33 LEU HG . 51519 1
68 . 1 . 1 33 33 LEU HD11 H 1 0.416 0.008 . 2 . . . . . 33 LEU HD11 . 51519 1
69 . 1 . 1 33 33 LEU HD12 H 1 0.416 0.008 . 2 . . . . . 33 LEU HD12 . 51519 1
70 . 1 . 1 33 33 LEU HD13 H 1 0.416 0.008 . 2 . . . . . 33 LEU HD13 . 51519 1
71 . 1 . 1 33 33 LEU HD21 H 1 0.669 0.008 . 2 . . . . . 33 LEU HD21 . 51519 1
72 . 1 . 1 33 33 LEU HD22 H 1 0.669 0.008 . 2 . . . . . 33 LEU HD22 . 51519 1
73 . 1 . 1 33 33 LEU HD23 H 1 0.669 0.008 . 2 . . . . . 33 LEU HD23 . 51519 1
74 . 1 . 1 33 33 LEU C C 13 179.198 0.000 . 1 . . . . . 33 LEU C . 51519 1
75 . 1 . 1 33 33 LEU CA C 13 57.693 0.119 . 1 . . . . . 33 LEU CA . 51519 1
76 . 1 . 1 33 33 LEU CB C 13 41.190 0.094 . 1 . . . . . 33 LEU CB . 51519 1
77 . 1 . 1 33 33 LEU CG C 13 26.143 0.021 . 1 . . . . . 33 LEU CG . 51519 1
78 . 1 . 1 33 33 LEU CD1 C 13 26.250 0.050 . 2 . . . . . 33 LEU CD1 . 51519 1
79 . 1 . 1 33 33 LEU CD2 C 13 23.743 0.069 . 2 . . . . . 33 LEU CD2 . 51519 1
80 . 1 . 1 33 33 LEU N N 15 120.242 0.073 . 1 . . . . . 33 LEU N . 51519 1
81 . 1 . 1 34 34 ALA H H 1 8.137 0.009 . 1 . . . . . 34 ALA H . 51519 1
82 . 1 . 1 34 34 ALA HA H 1 4.181 0.008 . 1 . . . . . 34 ALA HA . 51519 1
83 . 1 . 1 34 34 ALA HB1 H 1 1.541 0.007 . 1 . . . . . 34 ALA HB1 . 51519 1
84 . 1 . 1 34 34 ALA HB2 H 1 1.541 0.007 . 1 . . . . . 34 ALA HB2 . 51519 1
85 . 1 . 1 34 34 ALA HB3 H 1 1.541 0.007 . 1 . . . . . 34 ALA HB3 . 51519 1
86 . 1 . 1 34 34 ALA C C 13 181.133 0.050 . 1 . . . . . 34 ALA C . 51519 1
87 . 1 . 1 34 34 ALA CA C 13 54.703 0.068 . 1 . . . . . 34 ALA CA . 51519 1
88 . 1 . 1 34 34 ALA CB C 13 18.102 0.139 . 1 . . . . . 34 ALA CB . 51519 1
89 . 1 . 1 34 34 ALA N N 15 121.078 0.010 . 1 . . . . . 34 ALA N . 51519 1
90 . 1 . 1 35 35 GLN H H 1 8.167 0.004 . 1 . . . . . 35 GLN H . 51519 1
91 . 1 . 1 35 35 GLN HA H 1 4.002 0.008 . 1 . . . . . 35 GLN HA . 51519 1
92 . 1 . 1 35 35 GLN HB2 H 1 2.143 0.024 . 2 . . . . . 35 GLN HB2 . 51519 1
93 . 1 . 1 35 35 GLN HB3 H 1 2.114 0.002 . 2 . . . . . 35 GLN HB3 . 51519 1
94 . 1 . 1 35 35 GLN HG2 H 1 2.475 0.011 . 2 . . . . . 35 GLN HG2 . 51519 1
95 . 1 . 1 35 35 GLN HG3 H 1 2.337 0.010 . 2 . . . . . 35 GLN HG3 . 51519 1
96 . 1 . 1 35 35 GLN HE21 H 1 6.723 0.017 . 1 . . . . . 35 GLN HE21 . 51519 1
97 . 1 . 1 35 35 GLN HE22 H 1 7.237 0.000 . 1 . . . . . 35 GLN HE22 . 51519 1
98 . 1 . 1 35 35 GLN C C 13 177.887 0.012 . 1 . . . . . 35 GLN C . 51519 1
99 . 1 . 1 35 35 GLN CA C 13 58.626 0.156 . 1 . . . . . 35 GLN CA . 51519 1
100 . 1 . 1 35 35 GLN CB C 13 28.696 0.047 . 1 . . . . . 35 GLN CB . 51519 1
101 . 1 . 1 35 35 GLN N N 15 116.980 0.012 . 1 . . . . . 35 GLN N . 51519 1
102 . 1 . 1 35 35 GLN NE2 N 15 111.457 0.000 . 1 . . . . . 35 GLN NE2 . 51519 1
103 . 1 . 1 36 36 ILE H H 1 7.190 0.009 . 1 . . . . . 36 ILE H . 51519 1
104 . 1 . 1 36 36 ILE HA H 1 4.375 0.005 . 1 . . . . . 36 ILE HA . 51519 1
105 . 1 . 1 36 36 ILE HB H 1 2.087 0.006 . 1 . . . . . 36 ILE HB . 51519 1
106 . 1 . 1 36 36 ILE HG12 H 1 1.507 0.023 . 2 . . . . . 36 ILE HG12 . 51519 1
107 . 1 . 1 36 36 ILE HG13 H 1 1.395 0.014 . 2 . . . . . 36 ILE HG13 . 51519 1
108 . 1 . 1 36 36 ILE HG21 H 1 0.901 0.008 . 1 . . . . . 36 ILE HG21 . 51519 1
109 . 1 . 1 36 36 ILE HG22 H 1 0.901 0.008 . 1 . . . . . 36 ILE HG22 . 51519 1
110 . 1 . 1 36 36 ILE HG23 H 1 0.901 0.008 . 1 . . . . . 36 ILE HG23 . 51519 1
111 . 1 . 1 36 36 ILE HD11 H 1 0.795 0.010 . 1 . . . . . 36 ILE HD11 . 51519 1
112 . 1 . 1 36 36 ILE HD12 H 1 0.795 0.010 . 1 . . . . . 36 ILE HD12 . 51519 1
113 . 1 . 1 36 36 ILE HD13 H 1 0.795 0.010 . 1 . . . . . 36 ILE HD13 . 51519 1
114 . 1 . 1 36 36 ILE C C 13 176.265 0.022 . 1 . . . . . 36 ILE C . 51519 1
115 . 1 . 1 36 36 ILE CA C 13 61.574 0.028 . 1 . . . . . 36 ILE CA . 51519 1
116 . 1 . 1 36 36 ILE CB C 13 38.081 0.187 . 1 . . . . . 36 ILE CB . 51519 1
117 . 1 . 1 36 36 ILE CG1 C 13 26.688 0.157 . 1 . . . . . 36 ILE CG1 . 51519 1
118 . 1 . 1 36 36 ILE CG2 C 13 17.883 0.103 . 1 . . . . . 36 ILE CG2 . 51519 1
119 . 1 . 1 36 36 ILE CD1 C 13 14.379 0.051 . 1 . . . . . 36 ILE CD1 . 51519 1
120 . 1 . 1 36 36 ILE N N 15 111.833 0.078 . 1 . . . . . 36 ILE N . 51519 1
121 . 1 . 1 37 37 GLY H H 1 7.745 0.009 . 1 . . . . . 37 GLY H . 51519 1
122 . 1 . 1 37 37 GLY HA2 H 1 4.023 0.004 . 2 . . . . . 37 GLY HA2 . 51519 1
123 . 1 . 1 37 37 GLY HA3 H 1 3.577 0.009 . 2 . . . . . 37 GLY HA3 . 51519 1
124 . 1 . 1 37 37 GLY C C 13 174.060 0.022 . 1 . . . . . 37 GLY C . 51519 1
125 . 1 . 1 37 37 GLY CA C 13 46.371 0.062 . 1 . . . . . 37 GLY CA . 51519 1
126 . 1 . 1 37 37 GLY N N 15 108.723 0.038 . 1 . . . . . 37 GLY N . 51519 1
127 . 1 . 1 38 38 ILE H H 1 7.734 0.005 . 1 . . . . . 38 ILE H . 51519 1
128 . 1 . 1 38 38 ILE HA H 1 4.126 0.011 . 1 . . . . . 38 ILE HA . 51519 1
129 . 1 . 1 38 38 ILE HB H 1 1.713 0.015 . 1 . . . . . 38 ILE HB . 51519 1
130 . 1 . 1 38 38 ILE HG12 H 1 1.369 0.011 . 2 . . . . . 38 ILE HG12 . 51519 1
131 . 1 . 1 38 38 ILE HG13 H 1 1.146 0.008 . 2 . . . . . 38 ILE HG13 . 51519 1
132 . 1 . 1 38 38 ILE HG21 H 1 0.949 0.006 . 1 . . . . . 38 ILE HG21 . 51519 1
133 . 1 . 1 38 38 ILE HG22 H 1 0.949 0.006 . 1 . . . . . 38 ILE HG22 . 51519 1
134 . 1 . 1 38 38 ILE HG23 H 1 0.949 0.006 . 1 . . . . . 38 ILE HG23 . 51519 1
135 . 1 . 1 38 38 ILE HD11 H 1 0.737 0.005 . 1 . . . . . 38 ILE HD11 . 51519 1
136 . 1 . 1 38 38 ILE HD12 H 1 0.737 0.005 . 1 . . . . . 38 ILE HD12 . 51519 1
137 . 1 . 1 38 38 ILE HD13 H 1 0.737 0.005 . 1 . . . . . 38 ILE HD13 . 51519 1
138 . 1 . 1 38 38 ILE C C 13 174.038 0.000 . 1 . . . . . 38 ILE C . 51519 1
139 . 1 . 1 38 38 ILE CA C 13 59.785 0.057 . 1 . . . . . 38 ILE CA . 51519 1
140 . 1 . 1 38 38 ILE CB C 13 38.671 0.031 . 1 . . . . . 38 ILE CB . 51519 1
141 . 1 . 1 38 38 ILE CG1 C 13 27.635 0.200 . 1 . . . . . 38 ILE CG1 . 51519 1
142 . 1 . 1 38 38 ILE CG2 C 13 17.523 0.033 . 1 . . . . . 38 ILE CG2 . 51519 1
143 . 1 . 1 38 38 ILE CD1 C 13 12.408 0.043 . 1 . . . . . 38 ILE CD1 . 51519 1
144 . 1 . 1 38 38 ILE N N 15 122.791 0.023 . 1 . . . . . 38 ILE N . 51519 1
145 . 1 . 1 39 39 ARG H H 1 8.220 0.014 . 1 . . . . . 39 ARG H . 51519 1
146 . 1 . 1 39 39 ARG HA H 1 3.839 0.006 . 1 . . . . . 39 ARG HA . 51519 1
147 . 1 . 1 39 39 ARG HB2 H 1 1.633 0.013 . 2 . . . . . 39 ARG HB2 . 51519 1
148 . 1 . 1 39 39 ARG HB3 H 1 1.755 0.001 . 2 . . . . . 39 ARG HB3 . 51519 1
149 . 1 . 1 39 39 ARG HG2 H 1 1.503 0.000 . 1 . . . . . 39 ARG HG2 . 51519 1
150 . 1 . 1 39 39 ARG HG3 H 1 1.503 0.000 . 1 . . . . . 39 ARG HG3 . 51519 1
151 . 1 . 1 39 39 ARG HD2 H 1 3.116 0.000 . 2 . . . . . 39 ARG HD2 . 51519 1
152 . 1 . 1 39 39 ARG HD3 H 1 3.113 0.000 . 2 . . . . . 39 ARG HD3 . 51519 1
153 . 1 . 1 39 39 ARG C C 13 175.339 0.022 . 1 . . . . . 39 ARG C . 51519 1
154 . 1 . 1 39 39 ARG CA C 13 57.273 0.156 . 1 . . . . . 39 ARG CA . 51519 1
155 . 1 . 1 39 39 ARG CB C 13 31.914 0.000 . 1 . . . . . 39 ARG CB . 51519 1
156 . 1 . 1 39 39 ARG CG C 13 27.154 0.000 . 1 . . . . . 39 ARG CG . 51519 1
157 . 1 . 1 39 39 ARG CD C 13 43.679 0.064 . 1 . . . . . 39 ARG CD . 51519 1
158 . 1 . 1 39 39 ARG N N 15 125.438 0.112 . 1 . . . . . 39 ARG N . 51519 1
159 . 1 . 1 40 40 PHE H H 1 6.766 0.010 . 1 . . . . . 40 PHE H . 51519 1
160 . 1 . 1 40 40 PHE HA H 1 5.533 0.008 . 1 . . . . . 40 PHE HA . 51519 1
161 . 1 . 1 40 40 PHE HB2 H 1 2.605 0.006 . 2 . . . . . 40 PHE HB2 . 51519 1
162 . 1 . 1 40 40 PHE HB3 H 1 2.420 0.008 . 2 . . . . . 40 PHE HB3 . 51519 1
163 . 1 . 1 40 40 PHE HD1 H 1 6.778 0.010 . 1 . . . . . 40 PHE HD1 . 51519 1
164 . 1 . 1 40 40 PHE HD2 H 1 6.778 0.010 . 1 . . . . . 40 PHE HD2 . 51519 1
165 . 1 . 1 40 40 PHE HE1 H 1 6.995 0.013 . 1 . . . . . 40 PHE HE1 . 51519 1
166 . 1 . 1 40 40 PHE HE2 H 1 6.995 0.013 . 1 . . . . . 40 PHE HE2 . 51519 1
167 . 1 . 1 40 40 PHE C C 13 173.814 0.092 . 1 . . . . . 40 PHE C . 51519 1
168 . 1 . 1 40 40 PHE CA C 13 55.550 0.028 . 1 . . . . . 40 PHE CA . 51519 1
169 . 1 . 1 40 40 PHE CB C 13 42.546 0.000 . 1 . . . . . 40 PHE CB . 51519 1
170 . 1 . 1 40 40 PHE CD1 C 13 129.599 0.170 . 1 . . . . . 40 PHE CD1 . 51519 1
171 . 1 . 1 40 40 PHE CD2 C 13 129.599 0.170 . 1 . . . . . 40 PHE CD2 . 51519 1
172 . 1 . 1 40 40 PHE CE1 C 13 129.693 0.006 . 1 . . . . . 40 PHE CE1 . 51519 1
173 . 1 . 1 40 40 PHE CE2 C 13 129.693 0.006 . 1 . . . . . 40 PHE CE2 . 51519 1
174 . 1 . 1 40 40 PHE N N 15 113.350 0.074 . 1 . . . . . 40 PHE N . 51519 1
175 . 1 . 1 41 41 VAL H H 1 8.577 0.008 . 1 . . . . . 41 VAL H . 51519 1
176 . 1 . 1 41 41 VAL HA H 1 4.483 0.007 . 1 . . . . . 41 VAL HA . 51519 1
177 . 1 . 1 41 41 VAL HB H 1 1.638 0.004 . 1 . . . . . 41 VAL HB . 51519 1
178 . 1 . 1 41 41 VAL HG11 H 1 0.522 0.019 . 2 . . . . . 41 VAL HG11 . 51519 1
179 . 1 . 1 41 41 VAL HG12 H 1 0.522 0.019 . 2 . . . . . 41 VAL HG12 . 51519 1
180 . 1 . 1 41 41 VAL HG13 H 1 0.522 0.019 . 2 . . . . . 41 VAL HG13 . 51519 1
181 . 1 . 1 41 41 VAL HG21 H 1 0.470 0.008 . 2 . . . . . 41 VAL HG21 . 51519 1
182 . 1 . 1 41 41 VAL HG22 H 1 0.470 0.008 . 2 . . . . . 41 VAL HG22 . 51519 1
183 . 1 . 1 41 41 VAL HG23 H 1 0.470 0.008 . 2 . . . . . 41 VAL HG23 . 51519 1
184 . 1 . 1 41 41 VAL C C 13 174.501 0.000 . 1 . . . . . 41 VAL C . 51519 1
185 . 1 . 1 41 41 VAL CA C 13 59.212 0.067 . 1 . . . . . 41 VAL CA . 51519 1
186 . 1 . 1 41 41 VAL CB C 13 35.467 0.046 . 1 . . . . . 41 VAL CB . 51519 1
187 . 1 . 1 41 41 VAL CG1 C 13 20.143 0.008 . 2 . . . . . 41 VAL CG1 . 51519 1
188 . 1 . 1 41 41 VAL CG2 C 13 22.534 0.012 . 2 . . . . . 41 VAL CG2 . 51519 1
189 . 1 . 1 41 41 VAL N N 15 119.504 0.010 . 1 . . . . . 41 VAL N . 51519 1
190 . 1 . 1 42 42 PRO HA H 1 4.497 0.016 . 1 . . . . . 42 PRO HA . 51519 1
191 . 1 . 1 42 42 PRO HB2 H 1 1.153 0.008 . 2 . . . . . 42 PRO HB2 . 51519 1
192 . 1 . 1 42 42 PRO HB3 H 1 1.207 0.007 . 2 . . . . . 42 PRO HB3 . 51519 1
193 . 1 . 1 42 42 PRO HG2 H 1 2.052 0.004 . 2 . . . . . 42 PRO HG2 . 51519 1
194 . 1 . 1 42 42 PRO HG3 H 1 1.371 0.006 . 2 . . . . . 42 PRO HG3 . 51519 1
195 . 1 . 1 42 42 PRO HD2 H 1 3.819 0.008 . 2 . . . . . 42 PRO HD2 . 51519 1
196 . 1 . 1 42 42 PRO HD3 H 1 3.526 0.003 . 2 . . . . . 42 PRO HD3 . 51519 1
197 . 1 . 1 42 42 PRO C C 13 172.956 0.000 . 1 . . . . . 42 PRO C . 51519 1
198 . 1 . 1 42 42 PRO CA C 13 61.810 0.089 . 1 . . . . . 42 PRO CA . 51519 1
199 . 1 . 1 42 42 PRO CB C 13 33.042 0.048 . 1 . . . . . 42 PRO CB . 51519 1
200 . 1 . 1 42 42 PRO CG C 13 26.930 0.063 . 1 . . . . . 42 PRO CG . 51519 1
201 . 1 . 1 42 42 PRO CD C 13 50.408 0.042 . 1 . . . . . 42 PRO CD . 51519 1
202 . 1 . 1 43 43 ILE H H 1 8.075 0.015 . 1 . . . . . 43 ILE H . 51519 1
203 . 1 . 1 43 43 ILE HA H 1 4.690 0.012 . 1 . . . . . 43 ILE HA . 51519 1
204 . 1 . 1 43 43 ILE HB H 1 2.106 0.011 . 1 . . . . . 43 ILE HB . 51519 1
205 . 1 . 1 43 43 ILE HG12 H 1 1.309 0.003 . 2 . . . . . 43 ILE HG12 . 51519 1
206 . 1 . 1 43 43 ILE HG13 H 1 1.644 0.009 . 2 . . . . . 43 ILE HG13 . 51519 1
207 . 1 . 1 43 43 ILE HG21 H 1 0.794 0.009 . 1 . . . . . 43 ILE HG21 . 51519 1
208 . 1 . 1 43 43 ILE HG22 H 1 0.794 0.009 . 1 . . . . . 43 ILE HG22 . 51519 1
209 . 1 . 1 43 43 ILE HG23 H 1 0.794 0.009 . 1 . . . . . 43 ILE HG23 . 51519 1
210 . 1 . 1 43 43 ILE HD11 H 1 0.625 0.007 . 1 . . . . . 43 ILE HD11 . 51519 1
211 . 1 . 1 43 43 ILE HD12 H 1 0.625 0.007 . 1 . . . . . 43 ILE HD12 . 51519 1
212 . 1 . 1 43 43 ILE HD13 H 1 0.625 0.007 . 1 . . . . . 43 ILE HD13 . 51519 1
213 . 1 . 1 43 43 ILE C C 13 174.785 0.000 . 1 . . . . . 43 ILE C . 51519 1
214 . 1 . 1 43 43 ILE CA C 13 54.871 0.110 . 1 . . . . . 43 ILE CA . 51519 1
215 . 1 . 1 43 43 ILE CB C 13 37.532 0.000 . 1 . . . . . 43 ILE CB . 51519 1
216 . 1 . 1 43 43 ILE CG1 C 13 26.025 0.067 . 1 . . . . . 43 ILE CG1 . 51519 1
217 . 1 . 1 43 43 ILE CG2 C 13 16.462 0.045 . 1 . . . . . 43 ILE CG2 . 51519 1
218 . 1 . 1 43 43 ILE CD1 C 13 9.797 0.079 . 1 . . . . . 43 ILE CD1 . 51519 1
219 . 1 . 1 43 43 ILE N N 15 123.563 0.103 . 1 . . . . . 43 ILE N . 51519 1
220 . 1 . 1 44 44 PRO HA H 1 4.851 0.009 . 1 . . . . . 44 PRO HA . 51519 1
221 . 1 . 1 44 44 PRO HB2 H 1 2.158 0.015 . 2 . . . . . 44 PRO HB2 . 51519 1
222 . 1 . 1 44 44 PRO HB3 H 1 1.795 0.007 . 2 . . . . . 44 PRO HB3 . 51519 1
223 . 1 . 1 44 44 PRO HG2 H 1 1.646 0.003 . 2 . . . . . 44 PRO HG2 . 51519 1
224 . 1 . 1 44 44 PRO HG3 H 1 1.655 0.006 . 2 . . . . . 44 PRO HG3 . 51519 1
225 . 1 . 1 44 44 PRO HD2 H 1 3.487 0.004 . 2 . . . . . 44 PRO HD2 . 51519 1
226 . 1 . 1 44 44 PRO HD3 H 1 4.160 0.009 . 2 . . . . . 44 PRO HD3 . 51519 1
227 . 1 . 1 44 44 PRO C C 13 175.096 0.000 . 1 . . . . . 44 PRO C . 51519 1
228 . 1 . 1 44 44 PRO CA C 13 62.042 0.066 . 1 . . . . . 44 PRO CA . 51519 1
229 . 1 . 1 44 44 PRO CB C 13 33.359 0.142 . 1 . . . . . 44 PRO CB . 51519 1
230 . 1 . 1 44 44 PRO CG C 13 27.820 0.052 . 1 . . . . . 44 PRO CG . 51519 1
231 . 1 . 1 44 44 PRO CD C 13 51.648 0.060 . 1 . . . . . 44 PRO CD . 51519 1
232 . 1 . 1 45 45 VAL H H 1 8.018 0.011 . 1 . . . . . 45 VAL H . 51519 1
233 . 1 . 1 45 45 VAL HA H 1 4.563 0.011 . 1 . . . . . 45 VAL HA . 51519 1
234 . 1 . 1 45 45 VAL HB H 1 2.033 0.005 . 1 . . . . . 45 VAL HB . 51519 1
235 . 1 . 1 45 45 VAL HG11 H 1 0.673 0.005 . 2 . . . . . 45 VAL HG11 . 51519 1
236 . 1 . 1 45 45 VAL HG12 H 1 0.673 0.005 . 2 . . . . . 45 VAL HG12 . 51519 1
237 . 1 . 1 45 45 VAL HG13 H 1 0.673 0.005 . 2 . . . . . 45 VAL HG13 . 51519 1
238 . 1 . 1 45 45 VAL HG21 H 1 0.847 0.008 . 2 . . . . . 45 VAL HG21 . 51519 1
239 . 1 . 1 45 45 VAL HG22 H 1 0.847 0.008 . 2 . . . . . 45 VAL HG22 . 51519 1
240 . 1 . 1 45 45 VAL HG23 H 1 0.847 0.008 . 2 . . . . . 45 VAL HG23 . 51519 1
241 . 1 . 1 45 45 VAL C C 13 175.163 0.022 . 1 . . . . . 45 VAL C . 51519 1
242 . 1 . 1 45 45 VAL CA C 13 58.949 0.086 . 1 . . . . . 45 VAL CA . 51519 1
243 . 1 . 1 45 45 VAL CB C 13 35.398 0.061 . 1 . . . . . 45 VAL CB . 51519 1
244 . 1 . 1 45 45 VAL CG1 C 13 19.455 0.020 . 2 . . . . . 45 VAL CG1 . 51519 1
245 . 1 . 1 45 45 VAL CG2 C 13 23.737 0.036 . 2 . . . . . 45 VAL CG2 . 51519 1
246 . 1 . 1 45 45 VAL N N 15 113.185 0.019 . 1 . . . . . 45 VAL N . 51519 1
247 . 1 . 1 46 46 GLU H H 1 9.064 0.004 . 1 . . . . . 46 GLU H . 51519 1
248 . 1 . 1 46 46 GLU HA H 1 4.425 0.011 . 1 . . . . . 46 GLU HA . 51519 1
249 . 1 . 1 46 46 GLU HB2 H 1 2.012 0.009 . 2 . . . . . 46 GLU HB2 . 51519 1
250 . 1 . 1 46 46 GLU HB3 H 1 2.167 0.018 . 2 . . . . . 46 GLU HB3 . 51519 1
251 . 1 . 1 46 46 GLU HG2 H 1 2.899 0.000 . 2 . . . . . 46 GLU HG2 . 51519 1
252 . 1 . 1 46 46 GLU HG3 H 1 2.883 0.000 . 2 . . . . . 46 GLU HG3 . 51519 1
253 . 1 . 1 46 46 GLU C C 13 176.779 0.042 . 1 . . . . . 46 GLU C . 51519 1
254 . 1 . 1 46 46 GLU CA C 13 57.343 0.049 . 1 . . . . . 46 GLU CA . 51519 1
255 . 1 . 1 46 46 GLU CB C 13 33.186 0.000 . 1 . . . . . 46 GLU CB . 51519 1
256 . 1 . 1 46 46 GLU N N 15 120.030 0.012 . 1 . . . . . 46 GLU N . 51519 1
257 . 1 . 1 47 47 THR H H 1 7.299 0.012 . 1 . . . . . 47 THR H . 51519 1
258 . 1 . 1 47 47 THR HA H 1 4.602 0.005 . 1 . . . . . 47 THR HA . 51519 1
259 . 1 . 1 47 47 THR HB H 1 4.747 0.006 . 1 . . . . . 47 THR HB . 51519 1
260 . 1 . 1 47 47 THR HG21 H 1 1.167 0.003 . 1 . . . . . 47 THR HG21 . 51519 1
261 . 1 . 1 47 47 THR HG22 H 1 1.167 0.003 . 1 . . . . . 47 THR HG22 . 51519 1
262 . 1 . 1 47 47 THR HG23 H 1 1.167 0.003 . 1 . . . . . 47 THR HG23 . 51519 1
263 . 1 . 1 47 47 THR C C 13 174.969 0.005 . 1 . . . . . 47 THR C . 51519 1
264 . 1 . 1 47 47 THR CA C 13 59.131 0.129 . 1 . . . . . 47 THR CA . 51519 1
265 . 1 . 1 47 47 THR CB C 13 73.375 0.000 . 1 . . . . . 47 THR CB . 51519 1
266 . 1 . 1 47 47 THR CG2 C 13 21.645 0.077 . 1 . . . . . 47 THR CG2 . 51519 1
267 . 1 . 1 47 47 THR N N 15 131.551 0.000 . 1 . . . . . 47 THR N . 51519 1
268 . 1 . 1 48 48 ASP HA H 1 4.193 0.013 . 1 . . . . . 48 ASP HA . 51519 1
269 . 1 . 1 48 48 ASP HB2 H 1 2.621 0.001 . 2 . . . . . 48 ASP HB2 . 51519 1
270 . 1 . 1 48 48 ASP HB3 H 1 2.661 0.000 . 2 . . . . . 48 ASP HB3 . 51519 1
271 . 1 . 1 48 48 ASP C C 13 177.787 0.000 . 1 . . . . . 48 ASP C . 51519 1
272 . 1 . 1 48 48 ASP CA C 13 57.348 0.050 . 1 . . . . . 48 ASP CA . 51519 1
273 . 1 . 1 48 48 ASP CB C 13 40.108 0.038 . 1 . . . . . 48 ASP CB . 51519 1
274 . 1 . 1 49 49 GLU H H 1 8.565 0.003 . 1 . . . . . 49 GLU H . 51519 1
275 . 1 . 1 49 49 GLU HA H 1 4.084 0.009 . 1 . . . . . 49 GLU HA . 51519 1
276 . 1 . 1 49 49 GLU HB2 H 1 1.917 0.005 . 2 . . . . . 49 GLU HB2 . 51519 1
277 . 1 . 1 49 49 GLU HB3 H 1 2.068 0.016 . 2 . . . . . 49 GLU HB3 . 51519 1
278 . 1 . 1 49 49 GLU HG2 H 1 2.265 0.003 . 2 . . . . . 49 GLU HG2 . 51519 1
279 . 1 . 1 49 49 GLU HG3 H 1 2.287 0.000 . 2 . . . . . 49 GLU HG3 . 51519 1
280 . 1 . 1 49 49 GLU C C 13 179.559 0.036 . 1 . . . . . 49 GLU C . 51519 1
281 . 1 . 1 49 49 GLU CA C 13 60.331 0.054 . 1 . . . . . 49 GLU CA . 51519 1
282 . 1 . 1 49 49 GLU CB C 13 29.132 0.069 . 1 . . . . . 49 GLU CB . 51519 1
283 . 1 . 1 49 49 GLU CG C 13 36.863 0.005 . 1 . . . . . 49 GLU CG . 51519 1
284 . 1 . 1 49 49 GLU N N 15 119.511 0.014 . 1 . . . . . 49 GLU N . 51519 1
285 . 1 . 1 50 50 GLU H H 1 7.857 0.007 . 1 . . . . . 50 GLU H . 51519 1
286 . 1 . 1 50 50 GLU HA H 1 3.982 0.017 . 1 . . . . . 50 GLU HA . 51519 1
287 . 1 . 1 50 50 GLU HB2 H 1 2.146 0.017 . 2 . . . . . 50 GLU HB2 . 51519 1
288 . 1 . 1 50 50 GLU HB3 H 1 2.050 0.004 . 2 . . . . . 50 GLU HB3 . 51519 1
289 . 1 . 1 50 50 GLU HG2 H 1 2.208 0.005 . 2 . . . . . 50 GLU HG2 . 51519 1
290 . 1 . 1 50 50 GLU HG3 H 1 2.359 0.007 . 2 . . . . . 50 GLU HG3 . 51519 1
291 . 1 . 1 50 50 GLU C C 13 178.492 0.000 . 1 . . . . . 50 GLU C . 51519 1
292 . 1 . 1 50 50 GLU CA C 13 59.332 0.117 . 1 . . . . . 50 GLU CA . 51519 1
293 . 1 . 1 50 50 GLU CB C 13 30.489 0.030 . 1 . . . . . 50 GLU CB . 51519 1
294 . 1 . 1 50 50 GLU CG C 13 36.662 0.062 . 1 . . . . . 50 GLU CG . 51519 1
295 . 1 . 1 50 50 GLU N N 15 120.928 0.012 . 1 . . . . . 50 GLU N . 51519 1
296 . 1 . 1 51 51 PHE H H 1 7.950 0.006 . 1 . . . . . 51 PHE H . 51519 1
297 . 1 . 1 51 51 PHE HA H 1 3.728 0.010 . 1 . . . . . 51 PHE HA . 51519 1
298 . 1 . 1 51 51 PHE HB2 H 1 2.704 0.007 . 2 . . . . . 51 PHE HB2 . 51519 1
299 . 1 . 1 51 51 PHE HB3 H 1 3.240 0.011 . 2 . . . . . 51 PHE HB3 . 51519 1
300 . 1 . 1 51 51 PHE HD1 H 1 6.480 0.006 . 1 . . . . . 51 PHE HD1 . 51519 1
301 . 1 . 1 51 51 PHE HD2 H 1 6.480 0.006 . 1 . . . . . 51 PHE HD2 . 51519 1
302 . 1 . 1 51 51 PHE HE1 H 1 6.976 0.007 . 1 . . . . . 51 PHE HE1 . 51519 1
303 . 1 . 1 51 51 PHE HE2 H 1 6.976 0.007 . 1 . . . . . 51 PHE HE2 . 51519 1
304 . 1 . 1 51 51 PHE C C 13 176.614 0.000 . 1 . . . . . 51 PHE C . 51519 1
305 . 1 . 1 51 51 PHE CA C 13 61.887 0.000 . 1 . . . . . 51 PHE CA . 51519 1
306 . 1 . 1 51 51 PHE CB C 13 38.518 0.031 . 1 . . . . . 51 PHE CB . 51519 1
307 . 1 . 1 51 51 PHE CD1 C 13 131.198 0.166 . 1 . . . . . 51 PHE CD1 . 51519 1
308 . 1 . 1 51 51 PHE CD2 C 13 131.198 0.166 . 1 . . . . . 51 PHE CD2 . 51519 1
309 . 1 . 1 51 51 PHE CE1 C 13 131.073 0.261 . 1 . . . . . 51 PHE CE1 . 51519 1
310 . 1 . 1 51 51 PHE CE2 C 13 131.073 0.261 . 1 . . . . . 51 PHE CE2 . 51519 1
311 . 1 . 1 51 51 PHE N N 15 119.120 0.046 . 1 . . . . . 51 PHE N . 51519 1
312 . 1 . 1 52 52 HIS H H 1 8.486 0.007 . 1 . . . . . 52 HIS H . 51519 1
313 . 1 . 1 52 52 HIS HA H 1 4.157 0.007 . 1 . . . . . 52 HIS HA . 51519 1
314 . 1 . 1 52 52 HIS HB2 H 1 3.136 0.005 . 2 . . . . . 52 HIS HB2 . 51519 1
315 . 1 . 1 52 52 HIS HB3 H 1 3.129 0.003 . 2 . . . . . 52 HIS HB3 . 51519 1
316 . 1 . 1 52 52 HIS HD2 H 1 6.980 0.000 . 1 . . . . . 52 HIS HD2 . 51519 1
317 . 1 . 1 52 52 HIS C C 13 179.332 0.002 . 1 . . . . . 52 HIS C . 51519 1
318 . 1 . 1 52 52 HIS CA C 13 59.966 0.181 . 1 . . . . . 52 HIS CA . 51519 1
319 . 1 . 1 52 52 HIS CB C 13 30.329 0.070 . 1 . . . . . 52 HIS CB . 51519 1
320 . 1 . 1 52 52 HIS N N 15 116.856 0.003 . 1 . . . . . 52 HIS N . 51519 1
321 . 1 . 1 53 53 THR H H 1 8.214 0.010 . 1 . . . . . 53 THR H . 51519 1
322 . 1 . 1 53 53 THR HA H 1 3.944 0.012 . 1 . . . . . 53 THR HA . 51519 1
323 . 1 . 1 53 53 THR HB H 1 4.215 0.005 . 1 . . . . . 53 THR HB . 51519 1
324 . 1 . 1 53 53 THR HG21 H 1 1.192 0.009 . 1 . . . . . 53 THR HG21 . 51519 1
325 . 1 . 1 53 53 THR HG22 H 1 1.192 0.009 . 1 . . . . . 53 THR HG22 . 51519 1
326 . 1 . 1 53 53 THR HG23 H 1 1.192 0.009 . 1 . . . . . 53 THR HG23 . 51519 1
327 . 1 . 1 53 53 THR C C 13 177.318 0.017 . 1 . . . . . 53 THR C . 51519 1
328 . 1 . 1 53 53 THR CA C 13 66.647 0.000 . 1 . . . . . 53 THR CA . 51519 1
329 . 1 . 1 53 53 THR CB C 13 68.619 0.025 . 1 . . . . . 53 THR CB . 51519 1
330 . 1 . 1 53 53 THR CG2 C 13 21.606 0.010 . 1 . . . . . 53 THR CG2 . 51519 1
331 . 1 . 1 53 53 THR N N 15 117.474 0.002 . 1 . . . . . 53 THR N . 51519 1
332 . 1 . 1 54 54 LEU H H 1 8.208 0.009 . 1 . . . . . 54 LEU H . 51519 1
333 . 1 . 1 54 54 LEU HA H 1 4.067 0.012 . 1 . . . . . 54 LEU HA . 51519 1
334 . 1 . 1 54 54 LEU HB2 H 1 1.170 0.013 . 2 . . . . . 54 LEU HB2 . 51519 1
335 . 1 . 1 54 54 LEU HB3 H 1 1.653 0.012 . 2 . . . . . 54 LEU HB3 . 51519 1
336 . 1 . 1 54 54 LEU HG H 1 1.664 0.003 . 1 . . . . . 54 LEU HG . 51519 1
337 . 1 . 1 54 54 LEU HD11 H 1 0.756 0.005 . 2 . . . . . 54 LEU HD11 . 51519 1
338 . 1 . 1 54 54 LEU HD12 H 1 0.756 0.005 . 2 . . . . . 54 LEU HD12 . 51519 1
339 . 1 . 1 54 54 LEU HD13 H 1 0.756 0.005 . 2 . . . . . 54 LEU HD13 . 51519 1
340 . 1 . 1 54 54 LEU HD21 H 1 0.749 0.003 . 2 . . . . . 54 LEU HD21 . 51519 1
341 . 1 . 1 54 54 LEU HD22 H 1 0.749 0.003 . 2 . . . . . 54 LEU HD22 . 51519 1
342 . 1 . 1 54 54 LEU HD23 H 1 0.749 0.003 . 2 . . . . . 54 LEU HD23 . 51519 1
343 . 1 . 1 54 54 LEU C C 13 179.418 0.000 . 1 . . . . . 54 LEU C . 51519 1
344 . 1 . 1 54 54 LEU CA C 13 57.778 0.080 . 1 . . . . . 54 LEU CA . 51519 1
345 . 1 . 1 54 54 LEU CB C 13 41.091 0.099 . 1 . . . . . 54 LEU CB . 51519 1
346 . 1 . 1 54 54 LEU CG C 13 27.485 0.071 . 1 . . . . . 54 LEU CG . 51519 1
347 . 1 . 1 54 54 LEU CD1 C 13 22.832 0.034 . 2 . . . . . 54 LEU CD1 . 51519 1
348 . 1 . 1 54 54 LEU CD2 C 13 25.357 0.222 . 2 . . . . . 54 LEU CD2 . 51519 1
349 . 1 . 1 54 54 LEU N N 15 123.015 0.006 . 1 . . . . . 54 LEU N . 51519 1
350 . 1 . 1 55 55 ALA H H 1 8.969 0.008 . 1 . . . . . 55 ALA H . 51519 1
351 . 1 . 1 55 55 ALA HA H 1 3.718 0.010 . 1 . . . . . 55 ALA HA . 51519 1
352 . 1 . 1 55 55 ALA HB1 H 1 1.037 0.007 . 1 . . . . . 55 ALA HB1 . 51519 1
353 . 1 . 1 55 55 ALA HB2 H 1 1.037 0.007 . 1 . . . . . 55 ALA HB2 . 51519 1
354 . 1 . 1 55 55 ALA HB3 H 1 1.037 0.007 . 1 . . . . . 55 ALA HB3 . 51519 1
355 . 1 . 1 55 55 ALA C C 13 180.234 0.022 . 1 . . . . . 55 ALA C . 51519 1
356 . 1 . 1 55 55 ALA CA C 13 55.275 0.078 . 1 . . . . . 55 ALA CA . 51519 1
357 . 1 . 1 55 55 ALA CB C 13 17.116 0.058 . 1 . . . . . 55 ALA CB . 51519 1
358 . 1 . 1 55 55 ALA N N 15 123.446 0.076 . 1 . . . . . 55 ALA N . 51519 1
359 . 1 . 1 56 56 ALA H H 1 7.644 0.009 . 1 . . . . . 56 ALA H . 51519 1
360 . 1 . 1 56 56 ALA HA H 1 4.169 0.008 . 1 . . . . . 56 ALA HA . 51519 1
361 . 1 . 1 56 56 ALA HB1 H 1 1.458 0.008 . 1 . . . . . 56 ALA HB1 . 51519 1
362 . 1 . 1 56 56 ALA HB2 H 1 1.458 0.008 . 1 . . . . . 56 ALA HB2 . 51519 1
363 . 1 . 1 56 56 ALA HB3 H 1 1.458 0.008 . 1 . . . . . 56 ALA HB3 . 51519 1
364 . 1 . 1 56 56 ALA C C 13 180.344 0.088 . 1 . . . . . 56 ALA C . 51519 1
365 . 1 . 1 56 56 ALA CA C 13 54.912 0.047 . 1 . . . . . 56 ALA CA . 51519 1
366 . 1 . 1 56 56 ALA CB C 13 17.604 0.024 . 1 . . . . . 56 ALA CB . 51519 1
367 . 1 . 1 56 56 ALA N N 15 121.278 0.029 . 1 . . . . . 56 ALA N . 51519 1
368 . 1 . 1 57 57 SER H H 1 7.454 0.006 . 1 . . . . . 57 SER H . 51519 1
369 . 1 . 1 57 57 SER HA H 1 4.228 0.014 . 1 . . . . . 57 SER HA . 51519 1
370 . 1 . 1 57 57 SER HB2 H 1 3.963 0.007 . 2 . . . . . 57 SER HB2 . 51519 1
371 . 1 . 1 57 57 SER HB3 H 1 3.984 0.010 . 2 . . . . . 57 SER HB3 . 51519 1
372 . 1 . 1 57 57 SER CA C 13 61.212 0.000 . 1 . . . . . 57 SER CA . 51519 1
373 . 1 . 1 57 57 SER CB C 13 62.965 0.000 . 1 . . . . . 57 SER CB . 51519 1
374 . 1 . 1 57 57 SER N N 15 115.491 0.000 . 1 . . . . . 57 SER N . 51519 1
375 . 1 . 1 58 58 LEU H H 1 8.108 0.009 . 1 . . . . . 58 LEU H . 51519 1
376 . 1 . 1 58 58 LEU HA H 1 3.899 0.010 . 1 . . . . . 58 LEU HA . 51519 1
377 . 1 . 1 58 58 LEU HB2 H 1 1.949 0.010 . 2 . . . . . 58 LEU HB2 . 51519 1
378 . 1 . 1 58 58 LEU HB3 H 1 1.640 0.013 . 2 . . . . . 58 LEU HB3 . 51519 1
379 . 1 . 1 58 58 LEU HG H 1 1.550 0.006 . 1 . . . . . 58 LEU HG . 51519 1
380 . 1 . 1 58 58 LEU HD11 H 1 0.869 0.005 . 2 . . . . . 58 LEU HD11 . 51519 1
381 . 1 . 1 58 58 LEU HD12 H 1 0.869 0.005 . 2 . . . . . 58 LEU HD12 . 51519 1
382 . 1 . 1 58 58 LEU HD13 H 1 0.869 0.005 . 2 . . . . . 58 LEU HD13 . 51519 1
383 . 1 . 1 58 58 LEU HD21 H 1 0.959 0.004 . 2 . . . . . 58 LEU HD21 . 51519 1
384 . 1 . 1 58 58 LEU HD22 H 1 0.959 0.004 . 2 . . . . . 58 LEU HD22 . 51519 1
385 . 1 . 1 58 58 LEU HD23 H 1 0.959 0.004 . 2 . . . . . 58 LEU HD23 . 51519 1
386 . 1 . 1 58 58 LEU C C 13 177.566 0.000 . 1 . . . . . 58 LEU C . 51519 1
387 . 1 . 1 58 58 LEU CA C 13 59.183 0.137 . 1 . . . . . 58 LEU CA . 51519 1
388 . 1 . 1 58 58 LEU CB C 13 40.825 0.143 . 1 . . . . . 58 LEU CB . 51519 1
389 . 1 . 1 58 58 LEU CG C 13 27.930 0.083 . 1 . . . . . 58 LEU CG . 51519 1
390 . 1 . 1 58 58 LEU CD1 C 13 25.594 0.050 . 2 . . . . . 58 LEU CD1 . 51519 1
391 . 1 . 1 58 58 LEU CD2 C 13 24.217 0.047 . 2 . . . . . 58 LEU CD2 . 51519 1
392 . 1 . 1 58 58 LEU N N 15 123.555 0.051 . 1 . . . . . 58 LEU N . 51519 1
393 . 1 . 1 59 59 SER H H 1 7.845 0.004 . 1 . . . . . 59 SER H . 51519 1
394 . 1 . 1 59 59 SER HA H 1 4.488 0.003 . 1 . . . . . 59 SER HA . 51519 1
395 . 1 . 1 59 59 SER HB2 H 1 3.950 0.000 . 2 . . . . . 59 SER HB2 . 51519 1
396 . 1 . 1 59 59 SER HB3 H 1 3.935 0.000 . 2 . . . . . 59 SER HB3 . 51519 1
397 . 1 . 1 59 59 SER C C 13 176.993 0.000 . 1 . . . . . 59 SER C . 51519 1
398 . 1 . 1 59 59 SER CA C 13 59.020 0.000 . 1 . . . . . 59 SER CA . 51519 1
399 . 1 . 1 59 59 SER CB C 13 62.088 0.000 . 1 . . . . . 59 SER CB . 51519 1
400 . 1 . 1 59 59 SER N N 15 113.339 0.032 . 1 . . . . . 59 SER N . 51519 1
401 . 1 . 1 60 60 GLN H H 1 7.861 0.014 . 1 . . . . . 60 GLN H . 51519 1
402 . 1 . 1 60 60 GLN HA H 1 4.052 0.008 . 1 . . . . . 60 GLN HA . 51519 1
403 . 1 . 1 60 60 GLN HB2 H 1 2.128 0.006 . 2 . . . . . 60 GLN HB2 . 51519 1
404 . 1 . 1 60 60 GLN HB3 H 1 2.160 0.016 . 2 . . . . . 60 GLN HB3 . 51519 1
405 . 1 . 1 60 60 GLN HG2 H 1 2.367 0.000 . 2 . . . . . 60 GLN HG2 . 51519 1
406 . 1 . 1 60 60 GLN HG3 H 1 2.358 0.000 . 2 . . . . . 60 GLN HG3 . 51519 1
407 . 1 . 1 60 60 GLN HE21 H 1 7.310 0.000 . 1 . . . . . 60 GLN HE21 . 51519 1
408 . 1 . 1 60 60 GLN HE22 H 1 6.697 0.000 . 1 . . . . . 60 GLN HE22 . 51519 1
409 . 1 . 1 60 60 GLN C C 13 178.599 0.023 . 1 . . . . . 60 GLN C . 51519 1
410 . 1 . 1 60 60 GLN CA C 13 58.536 0.056 . 1 . . . . . 60 GLN CA . 51519 1
411 . 1 . 1 60 60 GLN CB C 13 28.847 0.022 . 1 . . . . . 60 GLN CB . 51519 1
412 . 1 . 1 60 60 GLN CG C 13 33.993 0.118 . 1 . . . . . 60 GLN CG . 51519 1
413 . 1 . 1 60 60 GLN N N 15 120.338 0.027 . 1 . . . . . 60 GLN N . 51519 1
414 . 1 . 1 60 60 GLN NE2 N 15 111.265 0.000 . 1 . . . . . 60 GLN NE2 . 51519 1
415 . 1 . 1 61 61 LYS H H 1 8.234 0.011 . 1 . . . . . 61 LYS H . 51519 1
416 . 1 . 1 61 61 LYS HA H 1 4.029 0.012 . 1 . . . . . 61 LYS HA . 51519 1
417 . 1 . 1 61 61 LYS HB2 H 1 1.772 0.004 . 2 . . . . . 61 LYS HB2 . 51519 1
418 . 1 . 1 61 61 LYS HB3 H 1 1.893 0.006 . 2 . . . . . 61 LYS HB3 . 51519 1
419 . 1 . 1 61 61 LYS HG2 H 1 1.527 0.004 . 2 . . . . . 61 LYS HG2 . 51519 1
420 . 1 . 1 61 61 LYS HG3 H 1 1.464 0.004 . 2 . . . . . 61 LYS HG3 . 51519 1
421 . 1 . 1 61 61 LYS C C 13 179.209 0.000 . 1 . . . . . 61 LYS C . 51519 1
422 . 1 . 1 61 61 LYS CA C 13 59.138 0.049 . 1 . . . . . 61 LYS CA . 51519 1
423 . 1 . 1 61 61 LYS CB C 13 32.771 0.060 . 1 . . . . . 61 LYS CB . 51519 1
424 . 1 . 1 61 61 LYS CG C 13 25.895 0.115 . 1 . . . . . 61 LYS CG . 51519 1
425 . 1 . 1 61 61 LYS CD C 13 29.446 0.061 . 1 . . . . . 61 LYS CD . 51519 1
426 . 1 . 1 61 61 LYS CE C 13 42.083 0.156 . 1 . . . . . 61 LYS CE . 51519 1
427 . 1 . 1 61 61 LYS N N 15 120.245 0.016 . 1 . . . . . 61 LYS N . 51519 1
428 . 1 . 1 62 62 LEU H H 1 8.459 0.009 . 1 . . . . . 62 LEU H . 51519 1
429 . 1 . 1 62 62 LEU HA H 1 4.019 0.024 . 1 . . . . . 62 LEU HA . 51519 1
430 . 1 . 1 62 62 LEU HB2 H 1 1.679 0.016 . 2 . . . . . 62 LEU HB2 . 51519 1
431 . 1 . 1 62 62 LEU HB3 H 1 1.581 0.004 . 2 . . . . . 62 LEU HB3 . 51519 1
432 . 1 . 1 62 62 LEU HG H 1 1.682 0.012 . 1 . . . . . 62 LEU HG . 51519 1
433 . 1 . 1 62 62 LEU HD11 H 1 0.824 0.008 . 2 . . . . . 62 LEU HD11 . 51519 1
434 . 1 . 1 62 62 LEU HD12 H 1 0.824 0.008 . 2 . . . . . 62 LEU HD12 . 51519 1
435 . 1 . 1 62 62 LEU HD13 H 1 0.824 0.008 . 2 . . . . . 62 LEU HD13 . 51519 1
436 . 1 . 1 62 62 LEU HD21 H 1 0.749 0.013 . 2 . . . . . 62 LEU HD21 . 51519 1
437 . 1 . 1 62 62 LEU HD22 H 1 0.749 0.013 . 2 . . . . . 62 LEU HD22 . 51519 1
438 . 1 . 1 62 62 LEU HD23 H 1 0.749 0.013 . 2 . . . . . 62 LEU HD23 . 51519 1
439 . 1 . 1 62 62 LEU C C 13 179.164 0.000 . 1 . . . . . 62 LEU C . 51519 1
440 . 1 . 1 62 62 LEU CA C 13 57.936 0.153 . 1 . . . . . 62 LEU CA . 51519 1
441 . 1 . 1 62 62 LEU CB C 13 42.033 0.000 . 1 . . . . . 62 LEU CB . 51519 1
442 . 1 . 1 62 62 LEU CG C 13 26.843 0.008 . 1 . . . . . 62 LEU CG . 51519 1
443 . 1 . 1 62 62 LEU CD1 C 13 24.932 0.021 . 2 . . . . . 62 LEU CD1 . 51519 1
444 . 1 . 1 62 62 LEU CD2 C 13 23.617 0.014 . 2 . . . . . 62 LEU CD2 . 51519 1
445 . 1 . 1 62 62 LEU N N 15 119.008 0.005 . 1 . . . . . 62 LEU N . 51519 1
446 . 1 . 1 63 63 GLU H H 1 7.764 0.018 . 1 . . . . . 63 GLU H . 51519 1
447 . 1 . 1 63 63 GLU C C 13 179.047 0.117 . 1 . . . . . 63 GLU C . 51519 1
448 . 1 . 1 63 63 GLU CA C 13 59.299 0.000 . 1 . . . . . 63 GLU CA . 51519 1
449 . 1 . 1 63 63 GLU CB C 13 29.558 0.000 . 1 . . . . . 63 GLU CB . 51519 1
450 . 1 . 1 63 63 GLU N N 15 117.768 0.029 . 1 . . . . . 63 GLU N . 51519 1
451 . 1 . 1 64 64 MET H H 1 7.520 0.016 . 1 . . . . . 64 MET H . 51519 1
452 . 1 . 1 64 64 MET C C 13 178.066 0.020 . 1 . . . . . 64 MET C . 51519 1
453 . 1 . 1 64 64 MET CA C 13 57.137 0.000 . 1 . . . . . 64 MET CA . 51519 1
454 . 1 . 1 64 64 MET CB C 13 32.647 0.000 . 1 . . . . . 64 MET CB . 51519 1
455 . 1 . 1 64 64 MET N N 15 116.281 0.083 . 1 . . . . . 64 MET N . 51519 1
456 . 1 . 1 65 65 MET H H 1 7.980 0.006 . 1 . . . . . 65 MET H . 51519 1
457 . 1 . 1 65 65 MET HE1 H 1 1.986 0.003 . 1 . . . . . 65 MET HE1 . 51519 1
458 . 1 . 1 65 65 MET HE2 H 1 1.986 0.003 . 1 . . . . . 65 MET HE2 . 51519 1
459 . 1 . 1 65 65 MET HE3 H 1 1.986 0.003 . 1 . . . . . 65 MET HE3 . 51519 1
460 . 1 . 1 65 65 MET C C 13 177.933 0.019 . 1 . . . . . 65 MET C . 51519 1
461 . 1 . 1 65 65 MET CA C 13 58.570 0.041 . 1 . . . . . 65 MET CA . 51519 1
462 . 1 . 1 65 65 MET CE C 13 17.250 0.022 . 1 . . . . . 65 MET CE . 51519 1
463 . 1 . 1 65 65 MET N N 15 118.537 0.008 . 1 . . . . . 65 MET N . 51519 1
464 . 1 . 1 66 66 VAL H H 1 7.959 0.008 . 1 . . . . . 66 VAL H . 51519 1
465 . 1 . 1 66 66 VAL HA H 1 3.873 0.000 . 1 . . . . . 66 VAL HA . 51519 1
466 . 1 . 1 66 66 VAL HB H 1 2.104 0.000 . 1 . . . . . 66 VAL HB . 51519 1
467 . 1 . 1 66 66 VAL C C 13 176.701 0.025 . 1 . . . . . 66 VAL C . 51519 1
468 . 1 . 1 66 66 VAL CA C 13 63.518 0.000 . 1 . . . . . 66 VAL CA . 51519 1
469 . 1 . 1 66 66 VAL CB C 13 32.142 0.000 . 1 . . . . . 66 VAL CB . 51519 1
470 . 1 . 1 66 66 VAL N N 15 117.901 0.024 . 1 . . . . . 66 VAL N . 51519 1
471 . 1 . 1 67 67 ALA H H 1 7.779 0.007 . 1 . . . . . 67 ALA H . 51519 1
472 . 1 . 1 67 67 ALA C C 13 178.399 0.000 . 1 . . . . . 67 ALA C . 51519 1
473 . 1 . 1 67 67 ALA CA C 13 53.977 0.000 . 1 . . . . . 67 ALA CA . 51519 1
474 . 1 . 1 67 67 ALA CB C 13 18.553 0.000 . 1 . . . . . 67 ALA CB . 51519 1
475 . 1 . 1 67 67 ALA N N 15 123.940 0.123 . 1 . . . . . 67 ALA N . 51519 1
476 . 1 . 1 68 68 LYS H H 1 7.883 0.008 . 1 . . . . . 68 LYS H . 51519 1
477 . 1 . 1 68 68 LYS C C 13 176.605 0.000 . 1 . . . . . 68 LYS C . 51519 1
478 . 1 . 1 68 68 LYS CA C 13 57.314 0.096 . 1 . . . . . 68 LYS CA . 51519 1
479 . 1 . 1 68 68 LYS CB C 13 32.685 0.000 . 1 . . . . . 68 LYS CB . 51519 1
480 . 1 . 1 68 68 LYS N N 15 119.190 0.056 . 1 . . . . . 68 LYS N . 51519 1
481 . 1 . 1 69 69 ALA H H 1 7.888 0.003 . 1 . . . . . 69 ALA H . 51519 1
482 . 1 . 1 69 69 ALA C C 13 178.379 0.000 . 1 . . . . . 69 ALA C . 51519 1
483 . 1 . 1 69 69 ALA CA C 13 53.235 0.021 . 1 . . . . . 69 ALA CA . 51519 1
484 . 1 . 1 69 69 ALA CB C 13 18.850 0.076 . 1 . . . . . 69 ALA CB . 51519 1
485 . 1 . 1 69 69 ALA N N 15 123.629 0.195 . 1 . . . . . 69 ALA N . 51519 1
486 . 1 . 1 70 70 GLU H H 1 7.862 0.005 . 1 . . . . . 70 GLU H . 51519 1
487 . 1 . 1 70 70 GLU C C 13 176.599 0.000 . 1 . . . . . 70 GLU C . 51519 1
488 . 1 . 1 70 70 GLU CA C 13 56.645 0.000 . 1 . . . . . 70 GLU CA . 51519 1
489 . 1 . 1 70 70 GLU CB C 13 32.778 0.065 . 1 . . . . . 70 GLU CB . 51519 1
490 . 1 . 1 70 70 GLU N N 15 119.206 0.055 . 1 . . . . . 70 GLU N . 51519 1
stop_
save_