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 51726
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 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
1 '2D 1H-15N HSQC' . . . 51726 1
2 '2D 1H-13C HSQC aliphatic' . . . 51726 1
3 '2D 1H-13C HSQC aromatic' . . . 51726 1
4 '2D (HB)CB(CGCD)HD' . . . 51726 1
5 '2D 1H-1H TOCSY' . . . 51726 1
6 '3D CBCACONH' . . . 51726 1
7 '3D HNCACB' . . . 51726 1
8 '3D HNCA' . . . 51726 1
9 '3D HNCO' . . . 51726 1
10 '3D HN(CO)CA' . . . 51726 1
11 '3D H(C)CH-TOCSY' . . . 51726 1
12 '3D (H)CCH-TOCSY' . . . 51726 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 . . 51726 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 25 25 VAL H H 1 8.173 0.019 . 1 . . . . . 21 VAL H . 51726 1
2 . 1 . 1 25 25 VAL HA H 1 4.005 0.005 . 1 . . . . . 21 VAL HA . 51726 1
3 . 1 . 1 25 25 VAL HB H 1 1.824 0.009 . 1 . . . . . 21 VAL HB . 51726 1
4 . 1 . 1 25 25 VAL HG11 H 1 0.718 0.002 . 2 . . . . . 21 VAL MG1 . 51726 1
5 . 1 . 1 25 25 VAL HG12 H 1 0.718 0.002 . 2 . . . . . 21 VAL MG1 . 51726 1
6 . 1 . 1 25 25 VAL HG13 H 1 0.718 0.002 . 2 . . . . . 21 VAL MG1 . 51726 1
7 . 1 . 1 25 25 VAL HG21 H 1 0.796 0.003 . 2 . . . . . 21 VAL MG2 . 51726 1
8 . 1 . 1 25 25 VAL HG22 H 1 0.796 0.003 . 2 . . . . . 21 VAL MG2 . 51726 1
9 . 1 . 1 25 25 VAL HG23 H 1 0.796 0.003 . 2 . . . . . 21 VAL MG2 . 51726 1
10 . 1 . 1 25 25 VAL CA C 13 62.295 0.08 . 1 . . . . . 21 VAL CA . 51726 1
11 . 1 . 1 25 25 VAL CB C 13 32.024 0.065 . 1 . . . . . 21 VAL CB . 51726 1
12 . 1 . 1 25 25 VAL CG1 C 13 21.953 0.034 . 2 . . . . . 21 VAL CG1 . 51726 1
13 . 1 . 1 25 25 VAL CG2 C 13 21.03 0.047 . 2 . . . . . 21 VAL CG2 . 51726 1
14 . 1 . 1 25 25 VAL N N 15 123.346 0.107 . 1 . . . . . 21 VAL N . 51726 1
15 . 1 . 1 26 26 ILE H H 1 8.867 0.002 . 1 . . . . . 22 ILE H . 51726 1
16 . 1 . 1 26 26 ILE HA H 1 3.809 0.009 . 1 . . . . . 22 ILE HA . 51726 1
17 . 1 . 1 26 26 ILE HB H 1 0.048 0.003 . 1 . . . . . 22 ILE HB . 51726 1
18 . 1 . 1 26 26 ILE HG12 H 1 0.741 0.003 . 2 . . . . . 22 ILE HG12 . 51726 1
19 . 1 . 1 26 26 ILE HG13 H 1 0.859 0.004 . 2 . . . . . 22 ILE HG13 . 51726 1
20 . 1 . 1 26 26 ILE HG21 H 1 0.442 0.004 . 1 . . . . . 22 ILE MG . 51726 1
21 . 1 . 1 26 26 ILE HG22 H 1 0.442 0.004 . 1 . . . . . 22 ILE MG . 51726 1
22 . 1 . 1 26 26 ILE HG23 H 1 0.442 0.004 . 1 . . . . . 22 ILE MG . 51726 1
23 . 1 . 1 26 26 ILE HD11 H 1 0.27 0.006 . 1 . . . . . 22 ILE MD . 51726 1
24 . 1 . 1 26 26 ILE HD12 H 1 0.27 0.006 . 1 . . . . . 22 ILE MD . 51726 1
25 . 1 . 1 26 26 ILE HD13 H 1 0.27 0.006 . 1 . . . . . 22 ILE MD . 51726 1
26 . 1 . 1 26 26 ILE CA C 13 59.122 0.061 . 1 . . . . . 22 ILE CA . 51726 1
27 . 1 . 1 26 26 ILE CB C 13 37.2 0.093 . 1 . . . . . 22 ILE CB . 51726 1
28 . 1 . 1 26 26 ILE CG1 C 13 26.545 0.091 . 1 . . . . . 22 ILE CG1 . 51726 1
29 . 1 . 1 26 26 ILE CG2 C 13 20.654 0.047 . 1 . . . . . 22 ILE CG2 . 51726 1
30 . 1 . 1 26 26 ILE CD1 C 13 12.437 0.066 . 1 . . . . . 22 ILE CD1 . 51726 1
31 . 1 . 1 26 26 ILE N N 15 130.907 0.025 . 1 . . . . . 22 ILE N . 51726 1
32 . 1 . 1 27 27 LYS H H 1 7.89 0.002 . 1 . . . . . 23 LYS H . 51726 1
33 . 1 . 1 27 27 LYS HA H 1 4.789 0.007 . 1 . . . . . 23 LYS HA . 51726 1
34 . 1 . 1 27 27 LYS HB2 H 1 1.499 0.005 . 2 . . . . . 23 LYS HB2 . 51726 1
35 . 1 . 1 27 27 LYS HB3 H 1 1.759 0.003 . 2 . . . . . 23 LYS HB3 . 51726 1
36 . 1 . 1 27 27 LYS HG2 H 1 1.165 0.002 . 2 . . . . . 23 LYS HG2 . 51726 1
37 . 1 . 1 27 27 LYS HG3 H 1 1.311 0.002 . 2 . . . . . 23 LYS HG3 . 51726 1
38 . 1 . 1 27 27 LYS HD2 H 1 1.517 0.004 . 2 . . . . . 23 LYS HD2 . 51726 1
39 . 1 . 1 27 27 LYS HD3 H 1 1.517 0.004 . 2 . . . . . 23 LYS HD3 . 51726 1
40 . 1 . 1 27 27 LYS HE2 H 1 2.815 0 . 2 . . . . . 23 LYS HE2 . 51726 1
41 . 1 . 1 27 27 LYS HE3 H 1 2.815 0 . 2 . . . . . 23 LYS HE3 . 51726 1
42 . 1 . 1 27 27 LYS CA C 13 55.187 0.061 . 1 . . . . . 23 LYS CA . 51726 1
43 . 1 . 1 27 27 LYS CB C 13 34.503 0.082 . 1 . . . . . 23 LYS CB . 51726 1
44 . 1 . 1 27 27 LYS CG C 13 25.174 0.115 . 1 . . . . . 23 LYS CG . 51726 1
45 . 1 . 1 27 27 LYS CD C 13 29.194 0.06 . 1 . . . . . 23 LYS CD . 51726 1
46 . 1 . 1 27 27 LYS CE C 13 42.133 0.055 . 1 . . . . . 23 LYS CE . 51726 1
47 . 1 . 1 27 27 LYS N N 15 124.39 0.031 . 1 . . . . . 23 LYS N . 51726 1
48 . 1 . 1 28 28 GLY H H 1 7.997 0.01 . 1 . . . . . 24 GLY H . 51726 1
49 . 1 . 1 28 28 GLY HA2 H 1 4.35 0.006 . 2 . . . . . 24 GLY HA2 . 51726 1
50 . 1 . 1 28 28 GLY HA3 H 1 2.803 0.018 . 2 . . . . . 24 GLY HA3 . 51726 1
51 . 1 . 1 28 28 GLY CA C 13 44.241 0.076 . 1 . . . . . 24 GLY CA . 51726 1
52 . 1 . 1 28 28 GLY N N 15 106.446 0.043 . 1 . . . . . 24 GLY N . 51726 1
53 . 1 . 1 29 29 THR H H 1 8.704 0.002 . 1 . . . . . 25 THR H . 51726 1
54 . 1 . 1 29 29 THR HA H 1 5.452 0.005 . 1 . . . . . 25 THR HA . 51726 1
55 . 1 . 1 29 29 THR HB H 1 4.09 0.009 . 1 . . . . . 25 THR HB . 51726 1
56 . 1 . 1 29 29 THR HG21 H 1 1.234 0.004 . 1 . . . . . 25 THR MG . 51726 1
57 . 1 . 1 29 29 THR HG22 H 1 1.234 0.004 . 1 . . . . . 25 THR MG . 51726 1
58 . 1 . 1 29 29 THR HG23 H 1 1.234 0.004 . 1 . . . . . 25 THR MG . 51726 1
59 . 1 . 1 29 29 THR CA C 13 60.253 0.068 . 1 . . . . . 25 THR CA . 51726 1
60 . 1 . 1 29 29 THR CB C 13 71.996 0.064 . 1 . . . . . 25 THR CB . 51726 1
61 . 1 . 1 29 29 THR CG2 C 13 20.635 0.096 . 1 . . . . . 25 THR CG2 . 51726 1
62 . 1 . 1 29 29 THR N N 15 114.145 0.092 . 1 . . . . . 25 THR N . 51726 1
63 . 1 . 1 30 30 GLY H H 1 9.045 0.003 . 1 . . . . . 26 GLY H . 51726 1
64 . 1 . 1 30 30 GLY HA2 H 1 4.585 0.011 . 2 . . . . . 26 GLY HA2 . 51726 1
65 . 1 . 1 30 30 GLY HA3 H 1 4.386 0.008 . 2 . . . . . 26 GLY HA3 . 51726 1
66 . 1 . 1 30 30 GLY CA C 13 47.472 0.118 . 1 . . . . . 26 GLY CA . 51726 1
67 . 1 . 1 30 30 GLY N N 15 110.18 0.057 . 1 . . . . . 26 GLY N . 51726 1
68 . 1 . 1 31 31 ILE H H 1 8.226 0.014 . 1 . . . . . 27 ILE H . 51726 1
69 . 1 . 1 31 31 ILE HA H 1 4.908 0.006 . 1 . . . . . 27 ILE HA . 51726 1
70 . 1 . 1 31 31 ILE HB H 1 1.532 0.005 . 1 . . . . . 27 ILE HB . 51726 1
71 . 1 . 1 31 31 ILE HG12 H 1 0.633 0.013 . 2 . . . . . 27 ILE HG12 . 51726 1
72 . 1 . 1 31 31 ILE HG13 H 1 1.415 0.007 . 2 . . . . . 27 ILE HG13 . 51726 1
73 . 1 . 1 31 31 ILE HG21 H 1 0.69 0.003 . 1 . . . . . 27 ILE MG . 51726 1
74 . 1 . 1 31 31 ILE HG22 H 1 0.69 0.003 . 1 . . . . . 27 ILE MG . 51726 1
75 . 1 . 1 31 31 ILE HG23 H 1 0.69 0.003 . 1 . . . . . 27 ILE MG . 51726 1
76 . 1 . 1 31 31 ILE HD11 H 1 0.742 0.006 . 1 . . . . . 27 ILE MD . 51726 1
77 . 1 . 1 31 31 ILE HD12 H 1 0.742 0.006 . 1 . . . . . 27 ILE MD . 51726 1
78 . 1 . 1 31 31 ILE HD13 H 1 0.742 0.006 . 1 . . . . . 27 ILE MD . 51726 1
79 . 1 . 1 31 31 ILE CA C 13 58.924 0.075 . 1 . . . . . 27 ILE CA . 51726 1
80 . 1 . 1 31 31 ILE CB C 13 41.86 0.099 . 1 . . . . . 27 ILE CB . 51726 1
81 . 1 . 1 31 31 ILE CG1 C 13 27.567 0.085 . 1 . . . . . 27 ILE CG1 . 51726 1
82 . 1 . 1 31 31 ILE CG2 C 13 16.847 0.079 . 1 . . . . . 27 ILE CG2 . 51726 1
83 . 1 . 1 31 31 ILE CD1 C 13 12.786 0.059 . 1 . . . . . 27 ILE CD1 . 51726 1
84 . 1 . 1 31 31 ILE N N 15 120.265 0.105 . 1 . . . . . 27 ILE N . 51726 1
85 . 1 . 1 32 32 VAL H H 1 8.81 0.013 . 1 . . . . . 28 VAL H . 51726 1
86 . 1 . 1 32 32 VAL HA H 1 3.741 0.009 . 1 . . . . . 28 VAL HA . 51726 1
87 . 1 . 1 32 32 VAL HB H 1 2.213 0.002 . 1 . . . . . 28 VAL HB . 51726 1
88 . 1 . 1 32 32 VAL HG11 H 1 0.721 0.003 . 2 . . . . . 28 VAL MG1 . 51726 1
89 . 1 . 1 32 32 VAL HG12 H 1 0.721 0.003 . 2 . . . . . 28 VAL MG1 . 51726 1
90 . 1 . 1 32 32 VAL HG13 H 1 0.721 0.003 . 2 . . . . . 28 VAL MG1 . 51726 1
91 . 1 . 1 32 32 VAL HG21 H 1 0.903 0.003 . 2 . . . . . 28 VAL MG2 . 51726 1
92 . 1 . 1 32 32 VAL HG22 H 1 0.903 0.003 . 2 . . . . . 28 VAL MG2 . 51726 1
93 . 1 . 1 32 32 VAL HG23 H 1 0.903 0.003 . 2 . . . . . 28 VAL MG2 . 51726 1
94 . 1 . 1 32 32 VAL CA C 13 64.192 0.126 . 1 . . . . . 28 VAL CA . 51726 1
95 . 1 . 1 32 32 VAL CB C 13 32.128 0.086 . 1 . . . . . 28 VAL CB . 51726 1
96 . 1 . 1 32 32 VAL CG1 C 13 22.11 0.094 . 2 . . . . . 28 VAL CG1 . 51726 1
97 . 1 . 1 32 32 VAL CG2 C 13 23.748 0.159 . 2 . . . . . 28 VAL CG2 . 51726 1
98 . 1 . 1 32 32 VAL N N 15 126.592 0.038 . 1 . . . . . 28 VAL N . 51726 1
99 . 1 . 1 33 33 LYS H H 1 9.132 0.003 . 1 . . . . . 29 LYS H . 51726 1
100 . 1 . 1 33 33 LYS HA H 1 4.595 0.004 . 1 . . . . . 29 LYS HA . 51726 1
101 . 1 . 1 33 33 LYS HB2 H 1 1.388 0.006 . 2 . . . . . 29 LYS HB2 . 51726 1
102 . 1 . 1 33 33 LYS HB3 H 1 1.804 0 . 2 . . . . . 29 LYS HB3 . 51726 1
103 . 1 . 1 33 33 LYS HG2 H 1 1.397 0.007 . 2 . . . . . 29 LYS HG2 . 51726 1
104 . 1 . 1 33 33 LYS HG3 H 1 1.397 0.007 . 2 . . . . . 29 LYS HG3 . 51726 1
105 . 1 . 1 33 33 LYS HE2 H 1 2.971 0 . 2 . . . . . 29 LYS HE2 . 51726 1
106 . 1 . 1 33 33 LYS HE3 H 1 2.971 0 . 2 . . . . . 29 LYS HE3 . 51726 1
107 . 1 . 1 33 33 LYS CA C 13 54.735 0.095 . 1 . . . . . 29 LYS CA . 51726 1
108 . 1 . 1 33 33 LYS CB C 13 33.121 0.026 . 1 . . . . . 29 LYS CB . 51726 1
109 . 1 . 1 33 33 LYS CG C 13 24.052 0.067 . 1 . . . . . 29 LYS CG . 51726 1
110 . 1 . 1 33 33 LYS CD C 13 29.062 0 . 1 . . . . . 29 LYS CD . 51726 1
111 . 1 . 1 33 33 LYS CE C 13 42.018 0 . 1 . . . . . 29 LYS CE . 51726 1
112 . 1 . 1 33 33 LYS N N 15 128.598 0.026 . 1 . . . . . 29 LYS N . 51726 1
113 . 1 . 1 34 34 ASP H H 1 7.571 0.005 . 1 . . . . . 30 ASP H . 51726 1
114 . 1 . 1 34 34 ASP HA H 1 4.678 0.009 . 1 . . . . . 30 ASP HA . 51726 1
115 . 1 . 1 34 34 ASP HB2 H 1 2.37 0.003 . 2 . . . . . 30 ASP HB2 . 51726 1
116 . 1 . 1 34 34 ASP HB3 H 1 2.692 0.009 . 2 . . . . . 30 ASP HB3 . 51726 1
117 . 1 . 1 34 34 ASP CA C 13 54.592 0.065 . 1 . . . . . 30 ASP CA . 51726 1
118 . 1 . 1 34 34 ASP CB C 13 44.012 0.045 . 1 . . . . . 30 ASP CB . 51726 1
119 . 1 . 1 34 34 ASP N N 15 115.862 0.024 . 1 . . . . . 30 ASP N . 51726 1
120 . 1 . 1 35 35 ILE H H 1 8.592 0.003 . 1 . . . . . 31 ILE H . 51726 1
121 . 1 . 1 35 35 ILE HA H 1 4.221 0.006 . 1 . . . . . 31 ILE HA . 51726 1
122 . 1 . 1 35 35 ILE HB H 1 1.662 0.004 . 1 . . . . . 31 ILE HB . 51726 1
123 . 1 . 1 35 35 ILE HG12 H 1 0.734 0.008 . 2 . . . . . 31 ILE HG12 . 51726 1
124 . 1 . 1 35 35 ILE HG13 H 1 1.303 0.006 . 2 . . . . . 31 ILE HG13 . 51726 1
125 . 1 . 1 35 35 ILE HG21 H 1 0.805 0.004 . 1 . . . . . 31 ILE MG . 51726 1
126 . 1 . 1 35 35 ILE HG22 H 1 0.805 0.004 . 1 . . . . . 31 ILE MG . 51726 1
127 . 1 . 1 35 35 ILE HG23 H 1 0.805 0.004 . 1 . . . . . 31 ILE MG . 51726 1
128 . 1 . 1 35 35 ILE HD11 H 1 0.705 0.004 . 1 . . . . . 31 ILE MD . 51726 1
129 . 1 . 1 35 35 ILE HD12 H 1 0.705 0.004 . 1 . . . . . 31 ILE MD . 51726 1
130 . 1 . 1 35 35 ILE HD13 H 1 0.705 0.004 . 1 . . . . . 31 ILE MD . 51726 1
131 . 1 . 1 35 35 ILE CA C 13 62.2 0.086 . 1 . . . . . 31 ILE CA . 51726 1
132 . 1 . 1 35 35 ILE CB C 13 41.543 0.069 . 1 . . . . . 31 ILE CB . 51726 1
133 . 1 . 1 35 35 ILE CG1 C 13 28.406 0.101 . 1 . . . . . 31 ILE CG1 . 51726 1
134 . 1 . 1 35 35 ILE CG2 C 13 17.778 0.13 . 1 . . . . . 31 ILE CG2 . 51726 1
135 . 1 . 1 35 35 ILE CD1 C 13 15.435 0.059 . 1 . . . . . 31 ILE CD1 . 51726 1
136 . 1 . 1 35 35 ILE N N 15 123.991 0.038 . 1 . . . . . 31 ILE N . 51726 1
137 . 1 . 1 36 36 ASP H H 1 8.648 0.008 . 1 . . . . . 32 ASP H . 51726 1
138 . 1 . 1 36 36 ASP HA H 1 5.029 0.005 . 1 . . . . . 32 ASP HA . 51726 1
139 . 1 . 1 36 36 ASP HB2 H 1 2.538 0.01 . 2 . . . . . 32 ASP HB2 . 51726 1
140 . 1 . 1 36 36 ASP HB3 H 1 2.995 0.003 . 2 . . . . . 32 ASP HB3 . 51726 1
141 . 1 . 1 36 36 ASP CA C 13 51.907 0.069 . 1 . . . . . 32 ASP CA . 51726 1
142 . 1 . 1 36 36 ASP CB C 13 41.569 0.059 . 1 . . . . . 32 ASP CB . 51726 1
143 . 1 . 1 36 36 ASP N N 15 126.844 0.028 . 1 . . . . . 32 ASP N . 51726 1
144 . 1 . 1 37 37 MET H H 1 9.152 0.01 . 1 . . . . . 33 MET H . 51726 1
145 . 1 . 1 37 37 MET HA H 1 4.507 0.004 . 1 . . . . . 33 MET HA . 51726 1
146 . 1 . 1 37 37 MET HB2 H 1 2.161 0 . 2 . . . . . 33 MET HB2 . 51726 1
147 . 1 . 1 37 37 MET HB3 H 1 2.122 0.011 . 2 . . . . . 33 MET HB3 . 51726 1
148 . 1 . 1 37 37 MET HG2 H 1 2.833 0 . 2 . . . . . 33 MET HG2 . 51726 1
149 . 1 . 1 37 37 MET HG3 H 1 2.617 0.008 . 2 . . . . . 33 MET HG3 . 51726 1
150 . 1 . 1 37 37 MET HE1 H 1 2.053 0 . 1 . . . . . 33 MET ME . 51726 1
151 . 1 . 1 37 37 MET HE2 H 1 2.053 0 . 1 . . . . . 33 MET ME . 51726 1
152 . 1 . 1 37 37 MET HE3 H 1 2.053 0 . 1 . . . . . 33 MET ME . 51726 1
153 . 1 . 1 37 37 MET CA C 13 56.271 0.062 . 1 . . . . . 33 MET CA . 51726 1
154 . 1 . 1 37 37 MET CB C 13 30.91 0.089 . 1 . . . . . 33 MET CB . 51726 1
155 . 1 . 1 37 37 MET CG C 13 32.41 0.09 . 1 . . . . . 33 MET CG . 51726 1
156 . 1 . 1 37 37 MET CE C 13 16.866 0 . 1 . . . . . 33 MET CE . 51726 1
157 . 1 . 1 37 37 MET N N 15 122.592 0.026 . 1 . . . . . 33 MET N . 51726 1
158 . 1 . 1 38 38 ASN H H 1 8.586 0.008 . 1 . . . . . 34 ASN H . 51726 1
159 . 1 . 1 38 38 ASN HA H 1 4.557 0.007 . 1 . . . . . 34 ASN HA . 51726 1
160 . 1 . 1 38 38 ASN HB2 H 1 2.86 0 . 2 . . . . . 34 ASN HB2 . 51726 1
161 . 1 . 1 38 38 ASN HB3 H 1 2.955 0.002 . 2 . . . . . 34 ASN HB3 . 51726 1
162 . 1 . 1 38 38 ASN CA C 13 56.033 0.073 . 1 . . . . . 34 ASN CA . 51726 1
163 . 1 . 1 38 38 ASN CB C 13 38.566 0.065 . 1 . . . . . 34 ASN CB . 51726 1
164 . 1 . 1 38 38 ASN N N 15 117.699 0.031 . 1 . . . . . 34 ASN N . 51726 1
165 . 1 . 1 39 39 SER H H 1 7.876 0.004 . 1 . . . . . 35 SER H . 51726 1
166 . 1 . 1 39 39 SER HA H 1 4.341 0.003 . 1 . . . . . 35 SER HA . 51726 1
167 . 1 . 1 39 39 SER HB2 H 1 3.624 0.004 . 2 . . . . . 35 SER HB2 . 51726 1
168 . 1 . 1 39 39 SER HB3 H 1 3.738 0.003 . 2 . . . . . 35 SER HB3 . 51726 1
169 . 1 . 1 39 39 SER CA C 13 58.245 0.04 . 1 . . . . . 35 SER CA . 51726 1
170 . 1 . 1 39 39 SER CB C 13 63.392 0.034 . 1 . . . . . 35 SER CB . 51726 1
171 . 1 . 1 39 39 SER N N 15 113.211 0.057 . 1 . . . . . 35 SER N . 51726 1
172 . 1 . 1 40 40 LYS H H 1 7.401 0.001 . 1 . . . . . 36 LYS H . 51726 1
173 . 1 . 1 40 40 LYS HA H 1 3.115 0.008 . 1 . . . . . 36 LYS HA . 51726 1
174 . 1 . 1 40 40 LYS HB2 H 1 0.603 0.007 . 2 . . . . . 36 LYS HB2 . 51726 1
175 . 1 . 1 40 40 LYS HB3 H 1 1.737 0.007 . 2 . . . . . 36 LYS HB3 . 51726 1
176 . 1 . 1 40 40 LYS HG2 H 1 1.04 0.006 . 2 . . . . . 36 LYS HG2 . 51726 1
177 . 1 . 1 40 40 LYS HG3 H 1 0.793 0.003 . 2 . . . . . 36 LYS HG3 . 51726 1
178 . 1 . 1 40 40 LYS HD2 H 1 1.377 0.014 . 2 . . . . . 36 LYS HD2 . 51726 1
179 . 1 . 1 40 40 LYS HD3 H 1 1.649 0.001 . 2 . . . . . 36 LYS HD3 . 51726 1
180 . 1 . 1 40 40 LYS HE2 H 1 2.982 0.003 . 2 . . . . . 36 LYS HE2 . 51726 1
181 . 1 . 1 40 40 LYS HE3 H 1 2.982 0.003 . 2 . . . . . 36 LYS HE3 . 51726 1
182 . 1 . 1 40 40 LYS CA C 13 57.501 0.105 . 1 . . . . . 36 LYS CA . 51726 1
183 . 1 . 1 40 40 LYS CB C 13 27.775 0.128 . 1 . . . . . 36 LYS CB . 51726 1
184 . 1 . 1 40 40 LYS CG C 13 25.163 0.095 . 1 . . . . . 36 LYS CG . 51726 1
185 . 1 . 1 40 40 LYS CD C 13 29.21 0.134 . 1 . . . . . 36 LYS CD . 51726 1
186 . 1 . 1 40 40 LYS CE C 13 42.667 0.091 . 1 . . . . . 36 LYS CE . 51726 1
187 . 1 . 1 40 40 LYS N N 15 118.102 0.023 . 1 . . . . . 36 LYS N . 51726 1
188 . 1 . 1 41 41 LYS H H 1 7.762 0.003 . 1 . . . . . 37 LYS H . 51726 1
189 . 1 . 1 41 41 LYS HA H 1 5.482 0.005 . 1 . . . . . 37 LYS HA . 51726 1
190 . 1 . 1 41 41 LYS HB2 H 1 1.322 0.01 . 2 . . . . . 37 LYS HB2 . 51726 1
191 . 1 . 1 41 41 LYS HB3 H 1 1.606 0.004 . 2 . . . . . 37 LYS HB3 . 51726 1
192 . 1 . 1 41 41 LYS HG2 H 1 1.275 0.003 . 2 . . . . . 37 LYS HG2 . 51726 1
193 . 1 . 1 41 41 LYS HG3 H 1 1.178 0.006 . 2 . . . . . 37 LYS HG3 . 51726 1
194 . 1 . 1 41 41 LYS HD2 H 1 1.509 0.005 . 2 . . . . . 37 LYS HD2 . 51726 1
195 . 1 . 1 41 41 LYS HD3 H 1 1.309 0.001 . 2 . . . . . 37 LYS HD3 . 51726 1
196 . 1 . 1 41 41 LYS HE2 H 1 2.82 0.004 . 2 . . . . . 37 LYS HE2 . 51726 1
197 . 1 . 1 41 41 LYS HE3 H 1 2.82 0.004 . 2 . . . . . 37 LYS HE3 . 51726 1
198 . 1 . 1 41 41 LYS CA C 13 53.378 0.074 . 1 . . . . . 37 LYS CA . 51726 1
199 . 1 . 1 41 41 LYS CB C 13 37.129 0.078 . 1 . . . . . 37 LYS CB . 51726 1
200 . 1 . 1 41 41 LYS CG C 13 24.513 0.074 . 1 . . . . . 37 LYS CG . 51726 1
201 . 1 . 1 41 41 LYS CD C 13 29.139 0.056 . 1 . . . . . 37 LYS CD . 51726 1
202 . 1 . 1 41 41 LYS CE C 13 42.394 0.108 . 1 . . . . . 37 LYS CE . 51726 1
203 . 1 . 1 41 41 LYS N N 15 113.755 0.041 . 1 . . . . . 37 LYS N . 51726 1
204 . 1 . 1 42 42 ILE H H 1 9.541 0.005 . 1 . . . . . 38 ILE H . 51726 1
205 . 1 . 1 42 42 ILE HA H 1 4.715 0.006 . 1 . . . . . 38 ILE HA . 51726 1
206 . 1 . 1 42 42 ILE HB H 1 1.667 0.008 . 1 . . . . . 38 ILE HB . 51726 1
207 . 1 . 1 42 42 ILE HG12 H 1 1.666 0.012 . 2 . . . . . 38 ILE HG12 . 51726 1
208 . 1 . 1 42 42 ILE HG13 H 1 1.089 0.005 . 2 . . . . . 38 ILE HG13 . 51726 1
209 . 1 . 1 42 42 ILE HG21 H 1 0.829 0.002 . 1 . . . . . 38 ILE MG . 51726 1
210 . 1 . 1 42 42 ILE HG22 H 1 0.829 0.002 . 1 . . . . . 38 ILE MG . 51726 1
211 . 1 . 1 42 42 ILE HG23 H 1 0.829 0.002 . 1 . . . . . 38 ILE MG . 51726 1
212 . 1 . 1 42 42 ILE HD11 H 1 0.613 0.003 . 1 . . . . . 38 ILE MD . 51726 1
213 . 1 . 1 42 42 ILE HD12 H 1 0.613 0.003 . 1 . . . . . 38 ILE MD . 51726 1
214 . 1 . 1 42 42 ILE HD13 H 1 0.613 0.003 . 1 . . . . . 38 ILE MD . 51726 1
215 . 1 . 1 42 42 ILE CA C 13 59.547 0.11 . 1 . . . . . 38 ILE CA . 51726 1
216 . 1 . 1 42 42 ILE CB C 13 41.267 0.115 . 1 . . . . . 38 ILE CB . 51726 1
217 . 1 . 1 42 42 ILE CG1 C 13 27.742 0.08 . 1 . . . . . 38 ILE CG1 . 51726 1
218 . 1 . 1 42 42 ILE CG2 C 13 17.45 0.067 . 1 . . . . . 38 ILE CG2 . 51726 1
219 . 1 . 1 42 42 ILE CD1 C 13 13.847 0.114 . 1 . . . . . 38 ILE CD1 . 51726 1
220 . 1 . 1 42 42 ILE N N 15 123.631 0.019 . 1 . . . . . 38 ILE N . 51726 1
221 . 1 . 1 43 43 THR H H 1 9.247 0.002 . 1 . . . . . 39 THR H . 51726 1
222 . 1 . 1 43 43 THR HA H 1 4.865 0.008 . 1 . . . . . 39 THR HA . 51726 1
223 . 1 . 1 43 43 THR HB H 1 3.934 0.002 . 1 . . . . . 39 THR HB . 51726 1
224 . 1 . 1 43 43 THR HG21 H 1 0.893 0.004 . 1 . . . . . 39 THR MG . 51726 1
225 . 1 . 1 43 43 THR HG22 H 1 0.893 0.004 . 1 . . . . . 39 THR MG . 51726 1
226 . 1 . 1 43 43 THR HG23 H 1 0.893 0.004 . 1 . . . . . 39 THR MG . 51726 1
227 . 1 . 1 43 43 THR CA C 13 62.723 0.068 . 1 . . . . . 39 THR CA . 51726 1
228 . 1 . 1 43 43 THR CB C 13 67.972 0.033 . 1 . . . . . 39 THR CB . 51726 1
229 . 1 . 1 43 43 THR CG2 C 13 21.824 0.084 . 1 . . . . . 39 THR CG2 . 51726 1
230 . 1 . 1 43 43 THR N N 15 126.6 0.023 . 1 . . . . . 39 THR N . 51726 1
231 . 1 . 1 44 44 ILE H H 1 9.191 0.004 . 1 . . . . . 40 ILE H . 51726 1
232 . 1 . 1 44 44 ILE HA H 1 4.708 0.008 . 1 . . . . . 40 ILE HA . 51726 1
233 . 1 . 1 44 44 ILE HB H 1 1.547 0.007 . 1 . . . . . 40 ILE HB . 51726 1
234 . 1 . 1 44 44 ILE HG12 H 1 0.339 0.011 . 2 . . . . . 40 ILE HG12 . 51726 1
235 . 1 . 1 44 44 ILE HG13 H 1 1.503 0.007 . 2 . . . . . 40 ILE HG13 . 51726 1
236 . 1 . 1 44 44 ILE HG21 H 1 0.413 0.002 . 1 . . . . . 40 ILE MG . 51726 1
237 . 1 . 1 44 44 ILE HG22 H 1 0.413 0.002 . 1 . . . . . 40 ILE MG . 51726 1
238 . 1 . 1 44 44 ILE HG23 H 1 0.413 0.002 . 1 . . . . . 40 ILE MG . 51726 1
239 . 1 . 1 44 44 ILE HD11 H 1 -0.513 0.009 . 1 . . . . . 40 ILE MD . 51726 1
240 . 1 . 1 44 44 ILE HD12 H 1 -0.513 0.009 . 1 . . . . . 40 ILE MD . 51726 1
241 . 1 . 1 44 44 ILE HD13 H 1 -0.513 0.009 . 1 . . . . . 40 ILE MD . 51726 1
242 . 1 . 1 44 44 ILE CA C 13 60.057 0.126 . 1 . . . . . 40 ILE CA . 51726 1
243 . 1 . 1 44 44 ILE CB C 13 41.956 0.041 . 1 . . . . . 40 ILE CB . 51726 1
244 . 1 . 1 44 44 ILE CG1 C 13 28.507 0.097 . 1 . . . . . 40 ILE CG1 . 51726 1
245 . 1 . 1 44 44 ILE CG2 C 13 16.836 0.094 . 1 . . . . . 40 ILE CG2 . 51726 1
246 . 1 . 1 44 44 ILE CD1 C 13 11.196 0.078 . 1 . . . . . 40 ILE CD1 . 51726 1
247 . 1 . 1 44 44 ILE N N 15 128.679 0.045 . 1 . . . . . 40 ILE N . 51726 1
248 . 1 . 1 45 45 SER H H 1 8.963 0.002 . 1 . . . . . 41 SER H . 51726 1
249 . 1 . 1 45 45 SER HA H 1 5.257 0.004 . 1 . . . . . 41 SER HA . 51726 1
250 . 1 . 1 45 45 SER HB2 H 1 3.653 0.006 . 2 . . . . . 41 SER HB2 . 51726 1
251 . 1 . 1 45 45 SER HB3 H 1 3.963 0.005 . 2 . . . . . 41 SER HB3 . 51726 1
252 . 1 . 1 45 45 SER CA C 13 56.758 0.043 . 1 . . . . . 41 SER CA . 51726 1
253 . 1 . 1 45 45 SER CB C 13 62.499 0.039 . 1 . . . . . 41 SER CB . 51726 1
254 . 1 . 1 45 45 SER N N 15 124.079 0.02 . 1 . . . . . 41 SER N . 51726 1
255 . 1 . 1 46 46 HIS H H 1 9.411 0.002 . 1 . . . . . 42 HIS H . 51726 1
256 . 1 . 1 46 46 HIS HA H 1 6.06 0.008 . 1 . . . . . 42 HIS HA . 51726 1
257 . 1 . 1 46 46 HIS HB2 H 1 3.905 0.006 . 2 . . . . . 42 HIS HB2 . 51726 1
258 . 1 . 1 46 46 HIS HB3 H 1 2.979 0.013 . 2 . . . . . 42 HIS HB3 . 51726 1
259 . 1 . 1 46 46 HIS HD2 H 1 6.985 0.003 . 1 . . . . . 42 HIS HD2 . 51726 1
260 . 1 . 1 46 46 HIS HE1 H 1 7.994 0.164 . 1 . . . . . 42 HIS HE1 . 51726 1
261 . 1 . 1 46 46 HIS CA C 13 53.299 0.065 . 1 . . . . . 42 HIS CA . 51726 1
262 . 1 . 1 46 46 HIS CB C 13 33.497 0.119 . 1 . . . . . 42 HIS CB . 51726 1
263 . 1 . 1 46 46 HIS CD2 C 13 129.477 0 . 1 . . . . . 42 HIS CD2 . 51726 1
264 . 1 . 1 46 46 HIS CE1 C 13 141.182 0 . 1 . . . . . 42 HIS CE1 . 51726 1
265 . 1 . 1 46 46 HIS N N 15 125.935 0.021 . 1 . . . . . 42 HIS N . 51726 1
266 . 1 . 1 47 47 GLU H H 1 8.482 0.003 . 1 . . . . . 43 GLU H . 51726 1
267 . 1 . 1 47 47 GLU HA H 1 4.585 0.01 . 1 . . . . . 43 GLU HA . 51726 1
268 . 1 . 1 47 47 GLU HB2 H 1 2.182 0.004 . 2 . . . . . 43 GLU HB2 . 51726 1
269 . 1 . 1 47 47 GLU HB3 H 1 2.424 0.004 . 2 . . . . . 43 GLU HB3 . 51726 1
270 . 1 . 1 47 47 GLU HG2 H 1 2.419 0.004 . 2 . . . . . 43 GLU HG2 . 51726 1
271 . 1 . 1 47 47 GLU HG3 H 1 2.522 0.003 . 2 . . . . . 43 GLU HG3 . 51726 1
272 . 1 . 1 47 47 GLU CA C 13 55.903 0.079 . 1 . . . . . 43 GLU CA . 51726 1
273 . 1 . 1 47 47 GLU CB C 13 30.333 0.067 . 1 . . . . . 43 GLU CB . 51726 1
274 . 1 . 1 47 47 GLU CG C 13 36.837 0.129 . 1 . . . . . 43 GLU CG . 51726 1
275 . 1 . 1 47 47 GLU N N 15 121.134 0.029 . 1 . . . . . 43 GLU N . 51726 1
276 . 1 . 1 48 48 ALA H H 1 9.542 0.007 . 1 . . . . . 44 ALA H . 51726 1
277 . 1 . 1 48 48 ALA HA H 1 4.028 0.013 . 1 . . . . . 44 ALA HA . 51726 1
278 . 1 . 1 48 48 ALA HB1 H 1 1.583 0.002 . 1 . . . . . 44 ALA MB . 51726 1
279 . 1 . 1 48 48 ALA HB2 H 1 1.583 0.002 . 1 . . . . . 44 ALA MB . 51726 1
280 . 1 . 1 48 48 ALA HB3 H 1 1.583 0.002 . 1 . . . . . 44 ALA MB . 51726 1
281 . 1 . 1 48 48 ALA CA C 13 54.715 0.062 . 1 . . . . . 44 ALA CA . 51726 1
282 . 1 . 1 48 48 ALA CB C 13 18.6 0.066 . 1 . . . . . 44 ALA CB . 51726 1
283 . 1 . 1 48 48 ALA N N 15 126.841 0.048 . 1 . . . . . 44 ALA N . 51726 1
284 . 1 . 1 49 49 ILE H H 1 8.33 0.002 . 1 . . . . . 45 ILE H . 51726 1
285 . 1 . 1 49 49 ILE HA H 1 4.756 0.007 . 1 . . . . . 45 ILE HA . 51726 1
286 . 1 . 1 49 49 ILE HB H 1 1.985 0.011 . 1 . . . . . 45 ILE HB . 51726 1
287 . 1 . 1 49 49 ILE HG12 H 1 1.392 0.009 . 2 . . . . . 45 ILE HG12 . 51726 1
288 . 1 . 1 49 49 ILE HG13 H 1 1.316 0.015 . 2 . . . . . 45 ILE HG13 . 51726 1
289 . 1 . 1 49 49 ILE HG21 H 1 0.878 0.004 . 1 . . . . . 45 ILE MG . 51726 1
290 . 1 . 1 49 49 ILE HG22 H 1 0.878 0.004 . 1 . . . . . 45 ILE MG . 51726 1
291 . 1 . 1 49 49 ILE HG23 H 1 0.878 0.004 . 1 . . . . . 45 ILE MG . 51726 1
292 . 1 . 1 49 49 ILE HD11 H 1 0.74 0.004 . 1 . . . . . 45 ILE MD . 51726 1
293 . 1 . 1 49 49 ILE HD12 H 1 0.74 0.004 . 1 . . . . . 45 ILE MD . 51726 1
294 . 1 . 1 49 49 ILE HD13 H 1 0.74 0.004 . 1 . . . . . 45 ILE MD . 51726 1
295 . 1 . 1 49 49 ILE CA C 13 59.067 0.077 . 1 . . . . . 45 ILE CA . 51726 1
296 . 1 . 1 49 49 ILE CB C 13 39.596 0.114 . 1 . . . . . 45 ILE CB . 51726 1
297 . 1 . 1 49 49 ILE CG1 C 13 27.146 0.105 . 1 . . . . . 45 ILE CG1 . 51726 1
298 . 1 . 1 49 49 ILE CG2 C 13 19.478 0.085 . 1 . . . . . 45 ILE CG2 . 51726 1
299 . 1 . 1 49 49 ILE CD1 C 13 13.251 0.066 . 1 . . . . . 45 ILE CD1 . 51726 1
300 . 1 . 1 49 49 ILE N N 15 118.349 0.029 . 1 . . . . . 45 ILE N . 51726 1
301 . 1 . 1 50 50 PRO HA H 1 4.412 0.004 . 1 . . . . . 46 PRO HA . 51726 1
302 . 1 . 1 50 50 PRO HB2 H 1 2.002 0.003 . 2 . . . . . 46 PRO HB2 . 51726 1
303 . 1 . 1 50 50 PRO HB3 H 1 2.407 0.005 . 2 . . . . . 46 PRO HB3 . 51726 1
304 . 1 . 1 50 50 PRO HG2 H 1 2.021 0.007 . 2 . . . . . 46 PRO HG2 . 51726 1
305 . 1 . 1 50 50 PRO HG3 H 1 2.11 0.006 . 2 . . . . . 46 PRO HG3 . 51726 1
306 . 1 . 1 50 50 PRO HD2 H 1 4.02 0.005 . 2 . . . . . 46 PRO HD2 . 51726 1
307 . 1 . 1 50 50 PRO HD3 H 1 3.465 0.01 . 2 . . . . . 46 PRO HD3 . 51726 1
308 . 1 . 1 50 50 PRO CA C 13 65.065 0.082 . 1 . . . . . 46 PRO CA . 51726 1
309 . 1 . 1 50 50 PRO CB C 13 31.84 0.109 . 1 . . . . . 46 PRO CB . 51726 1
310 . 1 . 1 50 50 PRO CG C 13 27.196 0.101 . 1 . . . . . 46 PRO CG . 51726 1
311 . 1 . 1 50 50 PRO CD C 13 51.25 0.092 . 1 . . . . . 46 PRO CD . 51726 1
312 . 1 . 1 51 51 ALA H H 1 8.794 0.004 . 1 . . . . . 47 ALA H . 51726 1
313 . 1 . 1 51 51 ALA HA H 1 4.083 0.005 . 1 . . . . . 47 ALA HA . 51726 1
314 . 1 . 1 51 51 ALA HB1 H 1 1.338 0.004 . 1 . . . . . 47 ALA MB . 51726 1
315 . 1 . 1 51 51 ALA HB2 H 1 1.338 0.004 . 1 . . . . . 47 ALA MB . 51726 1
316 . 1 . 1 51 51 ALA HB3 H 1 1.338 0.004 . 1 . . . . . 47 ALA MB . 51726 1
317 . 1 . 1 51 51 ALA CA C 13 55.254 0.076 . 1 . . . . . 47 ALA CA . 51726 1
318 . 1 . 1 51 51 ALA CB C 13 19.219 0.049 . 1 . . . . . 47 ALA CB . 51726 1
319 . 1 . 1 51 51 ALA N N 15 119.823 0.027 . 1 . . . . . 47 ALA N . 51726 1
320 . 1 . 1 52 52 VAL H H 1 6.8 0.005 . 1 . . . . . 48 VAL H . 51726 1
321 . 1 . 1 52 52 VAL HA H 1 4.473 0.004 . 1 . . . . . 48 VAL HA . 51726 1
322 . 1 . 1 52 52 VAL HB H 1 1.818 0.002 . 1 . . . . . 48 VAL HB . 51726 1
323 . 1 . 1 52 52 VAL HG11 H 1 -0.315 0.005 . 2 . . . . . 48 VAL MG1 . 51726 1
324 . 1 . 1 52 52 VAL HG12 H 1 -0.315 0.005 . 2 . . . . . 48 VAL MG1 . 51726 1
325 . 1 . 1 52 52 VAL HG13 H 1 -0.315 0.005 . 2 . . . . . 48 VAL MG1 . 51726 1
326 . 1 . 1 52 52 VAL HG21 H 1 0.393 0.007 . 2 . . . . . 48 VAL MG2 . 51726 1
327 . 1 . 1 52 52 VAL HG22 H 1 0.393 0.007 . 2 . . . . . 48 VAL MG2 . 51726 1
328 . 1 . 1 52 52 VAL HG23 H 1 0.393 0.007 . 2 . . . . . 48 VAL MG2 . 51726 1
329 . 1 . 1 52 52 VAL CA C 13 59.094 0.096 . 1 . . . . . 48 VAL CA . 51726 1
330 . 1 . 1 52 52 VAL CB C 13 32.051 0.072 . 1 . . . . . 48 VAL CB . 51726 1
331 . 1 . 1 52 52 VAL CG1 C 13 17.218 0.066 . 2 . . . . . 48 VAL CG1 . 51726 1
332 . 1 . 1 52 52 VAL CG2 C 13 21.517 0.095 . 2 . . . . . 48 VAL CG2 . 51726 1
333 . 1 . 1 52 52 VAL N N 15 104.641 0.04 . 1 . . . . . 48 VAL N . 51726 1
334 . 1 . 1 53 53 GLY H H 1 7.7 0.003 . 1 . . . . . 49 GLY H . 51726 1
335 . 1 . 1 53 53 GLY HA2 H 1 3.886 0.007 . 2 . . . . . 49 GLY HA2 . 51726 1
336 . 1 . 1 53 53 GLY HA3 H 1 4.035 0.038 . 2 . . . . . 49 GLY HA3 . 51726 1
337 . 1 . 1 53 53 GLY CA C 13 46.443 0.141 . 1 . . . . . 49 GLY CA . 51726 1
338 . 1 . 1 53 53 GLY N N 15 109.283 0.021 . 1 . . . . . 49 GLY N . 51726 1
339 . 1 . 1 54 54 TRP H H 1 7.671 0.003 . 1 . . . . . 50 TRP H . 51726 1
340 . 1 . 1 54 54 TRP HA H 1 5.633 0.007 . 1 . . . . . 50 TRP HA . 51726 1
341 . 1 . 1 54 54 TRP HB2 H 1 3.217 0.009 . 2 . . . . . 50 TRP HB2 . 51726 1
342 . 1 . 1 54 54 TRP HB3 H 1 3.633 0.004 . 2 . . . . . 50 TRP HB3 . 51726 1
343 . 1 . 1 54 54 TRP HD1 H 1 7.12 0 . 1 . . . . . 50 TRP HD1 . 51726 1
344 . 1 . 1 54 54 TRP HE1 H 1 10.379 0.001 . 1 . . . . . 50 TRP HE1 . 51726 1
345 . 1 . 1 54 54 TRP HE3 H 1 7.506 0.003 . 1 . . . . . 50 TRP HE3 . 51726 1
346 . 1 . 1 54 54 TRP HZ2 H 1 7.563 0.001 . 1 . . . . . 50 TRP HZ2 . 51726 1
347 . 1 . 1 54 54 TRP HZ3 H 1 6.837 0.003 . 1 . . . . . 50 TRP HZ3 . 51726 1
348 . 1 . 1 54 54 TRP HH2 H 1 7.292 0.002 . 1 . . . . . 50 TRP HH2 . 51726 1
349 . 1 . 1 54 54 TRP CA C 13 51.786 0.081 . 1 . . . . . 50 TRP CA . 51726 1
350 . 1 . 1 54 54 TRP CB C 13 30.997 0.051 . 1 . . . . . 50 TRP CB . 51726 1
351 . 1 . 1 54 54 TRP CD1 C 13 125.206 0 . 1 . . . . . 50 TRP CD1 . 51726 1
352 . 1 . 1 54 54 TRP CE3 C 13 116.237 0 . 1 . . . . . 50 TRP CE3 . 51726 1
353 . 1 . 1 54 54 TRP CZ2 C 13 116.079 0 . 1 . . . . . 50 TRP CZ2 . 51726 1
354 . 1 . 1 54 54 TRP CZ3 C 13 119.96 0 . 1 . . . . . 50 TRP CZ3 . 51726 1
355 . 1 . 1 54 54 TRP CH2 C 13 125.534 0 . 1 . . . . . 50 TRP CH2 . 51726 1
356 . 1 . 1 54 54 TRP N N 15 118.965 0.036 . 1 . . . . . 50 TRP N . 51726 1
357 . 1 . 1 54 54 TRP NE1 N 15 129.635 0.019 . 1 . . . . . 50 TRP NE1 . 51726 1
358 . 1 . 1 55 55 PRO HA H 1 4.861 0.007 . 1 . . . . . 51 PRO HA . 51726 1
359 . 1 . 1 55 55 PRO HB2 H 1 2.306 0.001 . 2 . . . . . 51 PRO HB2 . 51726 1
360 . 1 . 1 55 55 PRO HB3 H 1 2.306 0.001 . 2 . . . . . 51 PRO HB3 . 51726 1
361 . 1 . 1 55 55 PRO HG2 H 1 2.121 0.004 . 2 . . . . . 51 PRO HG2 . 51726 1
362 . 1 . 1 55 55 PRO HG3 H 1 1.687 0.007 . 2 . . . . . 51 PRO HG3 . 51726 1
363 . 1 . 1 55 55 PRO HD2 H 1 3.695 0.003 . 2 . . . . . 51 PRO HD2 . 51726 1
364 . 1 . 1 55 55 PRO HD3 H 1 3.989 0.006 . 2 . . . . . 51 PRO HD3 . 51726 1
365 . 1 . 1 55 55 PRO CA C 13 62.067 0.081 . 1 . . . . . 51 PRO CA . 51726 1
366 . 1 . 1 55 55 PRO CB C 13 32.678 0.086 . 1 . . . . . 51 PRO CB . 51726 1
367 . 1 . 1 55 55 PRO CG C 13 25.959 0.102 . 1 . . . . . 51 PRO CG . 51726 1
368 . 1 . 1 55 55 PRO CD C 13 50.016 0.124 . 1 . . . . . 51 PRO CD . 51726 1
369 . 1 . 1 56 56 ALA H H 1 8.419 0.002 . 1 . . . . . 52 ALA H . 51726 1
370 . 1 . 1 56 56 ALA HA H 1 4.121 0.004 . 1 . . . . . 52 ALA HA . 51726 1
371 . 1 . 1 56 56 ALA HB1 H 1 1.393 0.001 . 1 . . . . . 52 ALA MB . 51726 1
372 . 1 . 1 56 56 ALA HB2 H 1 1.393 0.001 . 1 . . . . . 52 ALA MB . 51726 1
373 . 1 . 1 56 56 ALA HB3 H 1 1.393 0.001 . 1 . . . . . 52 ALA MB . 51726 1
374 . 1 . 1 56 56 ALA CA C 13 53.854 0.105 . 1 . . . . . 52 ALA CA . 51726 1
375 . 1 . 1 56 56 ALA CB C 13 18.134 0.032 . 1 . . . . . 52 ALA CB . 51726 1
376 . 1 . 1 56 56 ALA N N 15 119.781 0.035 . 1 . . . . . 52 ALA N . 51726 1
377 . 1 . 1 57 57 MET H H 1 6.976 0.008 . 1 . . . . . 53 MET H . 51726 1
378 . 1 . 1 57 57 MET HA H 1 4.496 0.006 . 1 . . . . . 53 MET HA . 51726 1
379 . 1 . 1 57 57 MET HB2 H 1 1.525 0.004 . 2 . . . . . 53 MET HB2 . 51726 1
380 . 1 . 1 57 57 MET HB3 H 1 2.017 0.006 . 2 . . . . . 53 MET HB3 . 51726 1
381 . 1 . 1 57 57 MET HG2 H 1 2.374 0.007 . 2 . . . . . 53 MET HG2 . 51726 1
382 . 1 . 1 57 57 MET HG3 H 1 2.327 0.007 . 2 . . . . . 53 MET HG3 . 51726 1
383 . 1 . 1 57 57 MET HE1 H 1 1.832 0 . 1 . . . . . 53 MET ME . 51726 1
384 . 1 . 1 57 57 MET HE2 H 1 1.832 0 . 1 . . . . . 53 MET ME . 51726 1
385 . 1 . 1 57 57 MET HE3 H 1 1.832 0 . 1 . . . . . 53 MET ME . 51726 1
386 . 1 . 1 57 57 MET CA C 13 54.685 0.067 . 1 . . . . . 53 MET CA . 51726 1
387 . 1 . 1 57 57 MET CB C 13 38.36 0.112 . 1 . . . . . 53 MET CB . 51726 1
388 . 1 . 1 57 57 MET CG C 13 32.43 0.134 . 1 . . . . . 53 MET CG . 51726 1
389 . 1 . 1 57 57 MET CE C 13 18.834 0 . 1 . . . . . 53 MET CE . 51726 1
390 . 1 . 1 57 57 MET N N 15 116.2 0.035 . 1 . . . . . 53 MET N . 51726 1
391 . 1 . 1 58 58 THR H H 1 8.638 0.003 . 1 . . . . . 54 THR H . 51726 1
392 . 1 . 1 58 58 THR HA H 1 4.902 0.005 . 1 . . . . . 54 THR HA . 51726 1
393 . 1 . 1 58 58 THR HB H 1 3.863 0.013 . 1 . . . . . 54 THR HB . 51726 1
394 . 1 . 1 58 58 THR HG21 H 1 0.891 0.005 . 1 . . . . . 54 THR MG . 51726 1
395 . 1 . 1 58 58 THR HG22 H 1 0.891 0.005 . 1 . . . . . 54 THR MG . 51726 1
396 . 1 . 1 58 58 THR HG23 H 1 0.891 0.005 . 1 . . . . . 54 THR MG . 51726 1
397 . 1 . 1 58 58 THR CA C 13 62.876 0.093 . 1 . . . . . 54 THR CA . 51726 1
398 . 1 . 1 58 58 THR CB C 13 68.715 0.117 . 1 . . . . . 54 THR CB . 51726 1
399 . 1 . 1 58 58 THR CG2 C 13 21.927 0.073 . 1 . . . . . 54 THR CG2 . 51726 1
400 . 1 . 1 58 58 THR N N 15 118.032 0.02 . 1 . . . . . 54 THR N . 51726 1
401 . 1 . 1 59 59 MET H H 1 8.679 0.004 . 1 . . . . . 55 MET H . 51726 1
402 . 1 . 1 59 59 MET HA H 1 4.604 0.005 . 1 . . . . . 55 MET HA . 51726 1
403 . 1 . 1 59 59 MET HB2 H 1 1.784 0.006 . 2 . . . . . 55 MET HB2 . 51726 1
404 . 1 . 1 59 59 MET HB3 H 1 1.657 0.004 . 2 . . . . . 55 MET HB3 . 51726 1
405 . 1 . 1 59 59 MET HG2 H 1 2.108 0.004 . 2 . . . . . 55 MET HG2 . 51726 1
406 . 1 . 1 59 59 MET HG3 H 1 2.267 0.006 . 2 . . . . . 55 MET HG3 . 51726 1
407 . 1 . 1 59 59 MET HE1 H 1 1.659 0 . 1 . . . . . 55 MET ME . 51726 1
408 . 1 . 1 59 59 MET HE2 H 1 1.659 0 . 1 . . . . . 55 MET ME . 51726 1
409 . 1 . 1 59 59 MET HE3 H 1 1.659 0 . 1 . . . . . 55 MET ME . 51726 1
410 . 1 . 1 59 59 MET CA C 13 53.441 0.083 . 1 . . . . . 55 MET CA . 51726 1
411 . 1 . 1 59 59 MET CB C 13 41.927 0.095 . 1 . . . . . 55 MET CB . 51726 1
412 . 1 . 1 59 59 MET CG C 13 33.668 0.087 . 1 . . . . . 55 MET CG . 51726 1
413 . 1 . 1 59 59 MET CE C 13 21.921 0 . 1 . . . . . 55 MET CE . 51726 1
414 . 1 . 1 59 59 MET N N 15 127.43 0.029 . 1 . . . . . 55 MET N . 51726 1
415 . 1 . 1 60 60 ARG H H 1 8.616 0.003 . 1 . . . . . 56 ARG H . 51726 1
416 . 1 . 1 60 60 ARG HA H 1 4.695 0.008 . 1 . . . . . 56 ARG HA . 51726 1
417 . 1 . 1 60 60 ARG HB2 H 1 1.355 0.011 . 2 . . . . . 56 ARG HB2 . 51726 1
418 . 1 . 1 60 60 ARG HB3 H 1 1.753 0.004 . 2 . . . . . 56 ARG HB3 . 51726 1
419 . 1 . 1 60 60 ARG HG2 H 1 1.63 0.005 . 2 . . . . . 56 ARG HG2 . 51726 1
420 . 1 . 1 60 60 ARG HG3 H 1 1.63 0.005 . 2 . . . . . 56 ARG HG3 . 51726 1
421 . 1 . 1 60 60 ARG HD2 H 1 3.014 0.004 . 2 . . . . . 56 ARG HD2 . 51726 1
422 . 1 . 1 60 60 ARG HD3 H 1 3.014 0.004 . 2 . . . . . 56 ARG HD3 . 51726 1
423 . 1 . 1 60 60 ARG CA C 13 56.511 0.091 . 1 . . . . . 56 ARG CA . 51726 1
424 . 1 . 1 60 60 ARG CB C 13 31.224 0.084 . 1 . . . . . 56 ARG CB . 51726 1
425 . 1 . 1 60 60 ARG CG C 13 27.539 0.079 . 1 . . . . . 56 ARG CG . 51726 1
426 . 1 . 1 60 60 ARG CD C 13 44.04 0.094 . 1 . . . . . 56 ARG CD . 51726 1
427 . 1 . 1 60 60 ARG N N 15 123.279 0.026 . 1 . . . . . 56 ARG N . 51726 1
428 . 1 . 1 61 61 PHE H H 1 9.287 0.006 . 1 . . . . . 57 PHE H . 51726 1
429 . 1 . 1 61 61 PHE HA H 1 4.665 0.001 . 1 . . . . . 57 PHE HA . 51726 1
430 . 1 . 1 61 61 PHE HB2 H 1 2.809 0.004 . 2 . . . . . 57 PHE HB2 . 51726 1
431 . 1 . 1 61 61 PHE HB3 H 1 2.809 0.004 . 2 . . . . . 57 PHE HB3 . 51726 1
432 . 1 . 1 61 61 PHE HD1 H 1 6.875 0.002 . 3 . . . . . 57 PHE HD1 . 51726 1
433 . 1 . 1 61 61 PHE HD2 H 1 6.875 0.002 . 3 . . . . . 57 PHE HD2 . 51726 1
434 . 1 . 1 61 61 PHE HE1 H 1 6.3 0.001 . 3 . . . . . 57 PHE HE1 . 51726 1
435 . 1 . 1 61 61 PHE HE2 H 1 6.3 0.001 . 3 . . . . . 57 PHE HE2 . 51726 1
436 . 1 . 1 61 61 PHE HZ H 1 6.812 0.004 . 1 . . . . . 57 PHE HZ . 51726 1
437 . 1 . 1 61 61 PHE CA C 13 57.284 0.06 . 1 . . . . . 57 PHE CA . 51726 1
438 . 1 . 1 61 61 PHE CB C 13 41.563 0.11 . 1 . . . . . 57 PHE CB . 51726 1
439 . 1 . 1 61 61 PHE CD1 C 13 132.42 0 . 3 . . . . . 57 PHE CD1 . 51726 1
440 . 1 . 1 61 61 PHE CD2 C 13 132.42 0 . 3 . . . . . 57 PHE CD2 . 51726 1
441 . 1 . 1 61 61 PHE CE1 C 13 130.394 0 . 3 . . . . . 57 PHE CE1 . 51726 1
442 . 1 . 1 61 61 PHE CE2 C 13 130.394 0 . 3 . . . . . 57 PHE CE2 . 51726 1
443 . 1 . 1 61 61 PHE CZ C 13 128.733 0 . 1 . . . . . 57 PHE CZ . 51726 1
444 . 1 . 1 61 61 PHE N N 15 123.632 0.03 . 1 . . . . . 57 PHE N . 51726 1
445 . 1 . 1 62 62 THR H H 1 9.035 0.003 . 1 . . . . . 58 THR H . 51726 1
446 . 1 . 1 62 62 THR HA H 1 5.257 0.006 . 1 . . . . . 58 THR HA . 51726 1
447 . 1 . 1 62 62 THR HB H 1 3.872 0.01 . 1 . . . . . 58 THR HB . 51726 1
448 . 1 . 1 62 62 THR HG21 H 1 1.21 0.007 . 1 . . . . . 58 THR MG . 51726 1
449 . 1 . 1 62 62 THR HG22 H 1 1.21 0.007 . 1 . . . . . 58 THR MG . 51726 1
450 . 1 . 1 62 62 THR HG23 H 1 1.21 0.007 . 1 . . . . . 58 THR MG . 51726 1
451 . 1 . 1 62 62 THR CA C 13 62.55 0.079 . 1 . . . . . 58 THR CA . 51726 1
452 . 1 . 1 62 62 THR CB C 13 71.442 0.1 . 1 . . . . . 58 THR CB . 51726 1
453 . 1 . 1 62 62 THR CG2 C 13 21.546 0.111 . 1 . . . . . 58 THR CG2 . 51726 1
454 . 1 . 1 62 62 THR N N 15 119.832 0.024 . 1 . . . . . 58 THR N . 51726 1
455 . 1 . 1 63 63 PHE H H 1 7.996 0.004 . 1 . . . . . 59 PHE H . 51726 1
456 . 1 . 1 63 63 PHE HA H 1 5.417 0.013 . 1 . . . . . 59 PHE HA . 51726 1
457 . 1 . 1 63 63 PHE HB2 H 1 3.251 0.002 . 2 . . . . . 59 PHE HB2 . 51726 1
458 . 1 . 1 63 63 PHE HB3 H 1 2.714 0.005 . 2 . . . . . 59 PHE HB3 . 51726 1
459 . 1 . 1 63 63 PHE HD1 H 1 6.755 0.001 . 3 . . . . . 59 PHE HD1 . 51726 1
460 . 1 . 1 63 63 PHE HD2 H 1 6.755 0.001 . 3 . . . . . 59 PHE HD2 . 51726 1
461 . 1 . 1 63 63 PHE HE1 H 1 7.022 0.001 . 3 . . . . . 59 PHE HE1 . 51726 1
462 . 1 . 1 63 63 PHE HE2 H 1 7.022 0.001 . 3 . . . . . 59 PHE HE2 . 51726 1
463 . 1 . 1 63 63 PHE HZ H 1 7.389 0.014 . 1 . . . . . 59 PHE HZ . 51726 1
464 . 1 . 1 63 63 PHE CA C 13 54.89 0.11 . 1 . . . . . 59 PHE CA . 51726 1
465 . 1 . 1 63 63 PHE CB C 13 42.011 0.058 . 1 . . . . . 59 PHE CB . 51726 1
466 . 1 . 1 63 63 PHE CD1 C 13 132.935 0 . 3 . . . . . 59 PHE CD1 . 51726 1
467 . 1 . 1 63 63 PHE CD2 C 13 132.935 0 . 3 . . . . . 59 PHE CD2 . 51726 1
468 . 1 . 1 63 63 PHE CE1 C 13 130.2 0 . 3 . . . . . 59 PHE CE1 . 51726 1
469 . 1 . 1 63 63 PHE CE2 C 13 130.2 0 . 3 . . . . . 59 PHE CE2 . 51726 1
470 . 1 . 1 63 63 PHE CZ C 13 130.375 0 . 1 . . . . . 59 PHE CZ . 51726 1
471 . 1 . 1 63 63 PHE N N 15 121.354 0.041 . 1 . . . . . 59 PHE N . 51726 1
472 . 1 . 1 64 64 VAL H H 1 8.805 0.004 . 1 . . . . . 60 VAL H . 51726 1
473 . 1 . 1 64 64 VAL HA H 1 4.001 0.005 . 1 . . . . . 60 VAL HA . 51726 1
474 . 1 . 1 64 64 VAL HB H 1 2.059 0.007 . 1 . . . . . 60 VAL HB . 51726 1
475 . 1 . 1 64 64 VAL HG11 H 1 0.962 0.002 . 2 . . . . . 60 VAL MG1 . 51726 1
476 . 1 . 1 64 64 VAL HG12 H 1 0.962 0.002 . 2 . . . . . 60 VAL MG1 . 51726 1
477 . 1 . 1 64 64 VAL HG13 H 1 0.962 0.002 . 2 . . . . . 60 VAL MG1 . 51726 1
478 . 1 . 1 64 64 VAL HG21 H 1 1.016 0.005 . 2 . . . . . 60 VAL MG2 . 51726 1
479 . 1 . 1 64 64 VAL HG22 H 1 1.016 0.005 . 2 . . . . . 60 VAL MG2 . 51726 1
480 . 1 . 1 64 64 VAL HG23 H 1 1.016 0.005 . 2 . . . . . 60 VAL MG2 . 51726 1
481 . 1 . 1 64 64 VAL CA C 13 64.458 0.05 . 1 . . . . . 60 VAL CA . 51726 1
482 . 1 . 1 64 64 VAL CB C 13 32.848 0.074 . 1 . . . . . 60 VAL CB . 51726 1
483 . 1 . 1 64 64 VAL CG1 C 13 21.174 0.099 . 2 . . . . . 60 VAL CG1 . 51726 1
484 . 1 . 1 64 64 VAL CG2 C 13 21.819 0.081 . 2 . . . . . 60 VAL CG2 . 51726 1
485 . 1 . 1 64 64 VAL N N 15 118.905 0.03 . 1 . . . . . 60 VAL N . 51726 1
486 . 1 . 1 65 65 ASN H H 1 8.086 0.008 . 1 . . . . . 61 ASN H . 51726 1
487 . 1 . 1 65 65 ASN HA H 1 5.002 0.007 . 1 . . . . . 61 ASN HA . 51726 1
488 . 1 . 1 65 65 ASN HB2 H 1 2.737 0.007 . 2 . . . . . 61 ASN HB2 . 51726 1
489 . 1 . 1 65 65 ASN HB3 H 1 2.737 0.007 . 2 . . . . . 61 ASN HB3 . 51726 1
490 . 1 . 1 65 65 ASN CA C 13 52.294 0.039 . 1 . . . . . 61 ASN CA . 51726 1
491 . 1 . 1 65 65 ASN CB C 13 40.978 0.095 . 1 . . . . . 61 ASN CB . 51726 1
492 . 1 . 1 65 65 ASN N N 15 116.552 0.085 . 1 . . . . . 61 ASN N . 51726 1
493 . 1 . 1 66 66 ALA H H 1 9.163 0.004 . 1 . . . . . 62 ALA H . 51726 1
494 . 1 . 1 66 66 ALA HA H 1 3.985 0.007 . 1 . . . . . 62 ALA HA . 51726 1
495 . 1 . 1 66 66 ALA HB1 H 1 1.371 0.007 . 1 . . . . . 62 ALA MB . 51726 1
496 . 1 . 1 66 66 ALA HB2 H 1 1.371 0.007 . 1 . . . . . 62 ALA MB . 51726 1
497 . 1 . 1 66 66 ALA HB3 H 1 1.371 0.007 . 1 . . . . . 62 ALA MB . 51726 1
498 . 1 . 1 66 66 ALA CA C 13 52.309 0.048 . 1 . . . . . 62 ALA CA . 51726 1
499 . 1 . 1 66 66 ALA CB C 13 18.137 0.032 . 1 . . . . . 62 ALA CB . 51726 1
500 . 1 . 1 66 66 ALA N N 15 126.514 0.033 . 1 . . . . . 62 ALA N . 51726 1
501 . 1 . 1 67 67 ASP H H 1 7.2 0.01 . 1 . . . . . 63 ASP H . 51726 1
502 . 1 . 1 67 67 ASP HA H 1 4.596 0.004 . 1 . . . . . 63 ASP HA . 51726 1
503 . 1 . 1 67 67 ASP HB2 H 1 2.644 0.003 . 2 . . . . . 63 ASP HB2 . 51726 1
504 . 1 . 1 67 67 ASP HB3 H 1 3.086 0.009 . 2 . . . . . 63 ASP HB3 . 51726 1
505 . 1 . 1 67 67 ASP CA C 13 52.535 0.047 . 1 . . . . . 63 ASP CA . 51726 1
506 . 1 . 1 67 67 ASP CB C 13 41.66 0.132 . 1 . . . . . 63 ASP CB . 51726 1
507 . 1 . 1 67 67 ASP N N 15 122.624 0.026 . 1 . . . . . 63 ASP N . 51726 1
508 . 1 . 1 68 68 ASP H H 1 8.348 0.004 . 1 . . . . . 64 ASP H . 51726 1
509 . 1 . 1 68 68 ASP HA H 1 4.274 0.004 . 1 . . . . . 64 ASP HA . 51726 1
510 . 1 . 1 68 68 ASP HB2 H 1 2.642 0.003 . 2 . . . . . 64 ASP HB2 . 51726 1
511 . 1 . 1 68 68 ASP HB3 H 1 2.604 0.014 . 2 . . . . . 64 ASP HB3 . 51726 1
512 . 1 . 1 68 68 ASP CA C 13 57.633 0.047 . 1 . . . . . 64 ASP CA . 51726 1
513 . 1 . 1 68 68 ASP CB C 13 40.126 0.121 . 1 . . . . . 64 ASP CB . 51726 1
514 . 1 . 1 68 68 ASP N N 15 117.609 0.031 . 1 . . . . . 64 ASP N . 51726 1
515 . 1 . 1 69 69 ALA H H 1 7.796 0.003 . 1 . . . . . 65 ALA H . 51726 1
516 . 1 . 1 69 69 ALA HA H 1 4.092 0.004 . 1 . . . . . 65 ALA HA . 51726 1
517 . 1 . 1 69 69 ALA HB1 H 1 1.504 0.004 . 1 . . . . . 65 ALA MB . 51726 1
518 . 1 . 1 69 69 ALA HB2 H 1 1.504 0.004 . 1 . . . . . 65 ALA MB . 51726 1
519 . 1 . 1 69 69 ALA HB3 H 1 1.504 0.004 . 1 . . . . . 65 ALA MB . 51726 1
520 . 1 . 1 69 69 ALA CA C 13 54.842 0.093 . 1 . . . . . 65 ALA CA . 51726 1
521 . 1 . 1 69 69 ALA CB C 13 18.581 0.057 . 1 . . . . . 65 ALA CB . 51726 1
522 . 1 . 1 69 69 ALA N N 15 122.013 0.035 . 1 . . . . . 65 ALA N . 51726 1
523 . 1 . 1 70 70 ILE H H 1 7.979 0.002 . 1 . . . . . 66 ILE H . 51726 1
524 . 1 . 1 70 70 ILE HA H 1 3.389 0.003 . 1 . . . . . 66 ILE HA . 51726 1
525 . 1 . 1 70 70 ILE HB H 1 1.42 0.007 . 1 . . . . . 66 ILE HB . 51726 1
526 . 1 . 1 70 70 ILE HG12 H 1 0.76 0.014 . 2 . . . . . 66 ILE HG12 . 51726 1
527 . 1 . 1 70 70 ILE HG13 H 1 1.206 0.004 . 2 . . . . . 66 ILE HG13 . 51726 1
528 . 1 . 1 70 70 ILE HG21 H 1 0.09 0.007 . 1 . . . . . 66 ILE MG . 51726 1
529 . 1 . 1 70 70 ILE HG22 H 1 0.09 0.007 . 1 . . . . . 66 ILE MG . 51726 1
530 . 1 . 1 70 70 ILE HG23 H 1 0.09 0.007 . 1 . . . . . 66 ILE MG . 51726 1
531 . 1 . 1 70 70 ILE HD11 H 1 0.216 0.006 . 1 . . . . . 66 ILE MD . 51726 1
532 . 1 . 1 70 70 ILE HD12 H 1 0.216 0.006 . 1 . . . . . 66 ILE MD . 51726 1
533 . 1 . 1 70 70 ILE HD13 H 1 0.216 0.006 . 1 . . . . . 66 ILE MD . 51726 1
534 . 1 . 1 70 70 ILE CA C 13 63.584 0.097 . 1 . . . . . 66 ILE CA . 51726 1
535 . 1 . 1 70 70 ILE CB C 13 37.405 0.095 . 1 . . . . . 66 ILE CB . 51726 1
536 . 1 . 1 70 70 ILE CG1 C 13 28.993 0.086 . 1 . . . . . 66 ILE CG1 . 51726 1
537 . 1 . 1 70 70 ILE CG2 C 13 16.671 0.081 . 1 . . . . . 66 ILE CG2 . 51726 1
538 . 1 . 1 70 70 ILE CD1 C 13 11.222 0.078 . 1 . . . . . 66 ILE CD1 . 51726 1
539 . 1 . 1 70 70 ILE N N 15 118.248 0.023 . 1 . . . . . 66 ILE N . 51726 1
540 . 1 . 1 71 71 ASN H H 1 8.325 0.011 . 1 . . . . . 67 ASN H . 51726 1
541 . 1 . 1 71 71 ASN HA H 1 4.411 0.006 . 1 . . . . . 67 ASN HA . 51726 1
542 . 1 . 1 71 71 ASN HB2 H 1 2.717 0.003 . 2 . . . . . 67 ASN HB2 . 51726 1
543 . 1 . 1 71 71 ASN HB3 H 1 2.717 0.003 . 2 . . . . . 67 ASN HB3 . 51726 1
544 . 1 . 1 71 71 ASN CA C 13 55.222 0.066 . 1 . . . . . 67 ASN CA . 51726 1
545 . 1 . 1 71 71 ASN CB C 13 38.296 0.083 . 1 . . . . . 67 ASN CB . 51726 1
546 . 1 . 1 71 71 ASN N N 15 116.78 0.075 . 1 . . . . . 67 ASN N . 51726 1
547 . 1 . 1 72 72 ALA H H 1 7.214 0.006 . 1 . . . . . 68 ALA H . 51726 1
548 . 1 . 1 72 72 ALA HA H 1 4.366 0.002 . 1 . . . . . 68 ALA HA . 51726 1
549 . 1 . 1 72 72 ALA HB1 H 1 1.448 0.002 . 1 . . . . . 68 ALA MB . 51726 1
550 . 1 . 1 72 72 ALA HB2 H 1 1.448 0.002 . 1 . . . . . 68 ALA MB . 51726 1
551 . 1 . 1 72 72 ALA HB3 H 1 1.448 0.002 . 1 . . . . . 68 ALA MB . 51726 1
552 . 1 . 1 72 72 ALA CA C 13 52.198 0.042 . 1 . . . . . 68 ALA CA . 51726 1
553 . 1 . 1 72 72 ALA CB C 13 19.598 0.057 . 1 . . . . . 68 ALA CB . 51726 1
554 . 1 . 1 72 72 ALA N N 15 119.111 0.068 . 1 . . . . . 68 ALA N . 51726 1
555 . 1 . 1 73 73 LEU H H 1 7.182 0.002 . 1 . . . . . 69 LEU H . 51726 1
556 . 1 . 1 73 73 LEU HA H 1 4.055 0.006 . 1 . . . . . 69 LEU HA . 51726 1
557 . 1 . 1 73 73 LEU HB2 H 1 1.163 0.006 . 2 . . . . . 69 LEU HB2 . 51726 1
558 . 1 . 1 73 73 LEU HB3 H 1 1.88 0.006 . 2 . . . . . 69 LEU HB3 . 51726 1
559 . 1 . 1 73 73 LEU HD11 H 1 0.686 0.004 . 2 . . . . . 69 LEU MD1 . 51726 1
560 . 1 . 1 73 73 LEU HD12 H 1 0.686 0.004 . 2 . . . . . 69 LEU MD1 . 51726 1
561 . 1 . 1 73 73 LEU HD13 H 1 0.686 0.004 . 2 . . . . . 69 LEU MD1 . 51726 1
562 . 1 . 1 73 73 LEU HD21 H 1 0.753 0.005 . 2 . . . . . 69 LEU MD2 . 51726 1
563 . 1 . 1 73 73 LEU HD22 H 1 0.753 0.005 . 2 . . . . . 69 LEU MD2 . 51726 1
564 . 1 . 1 73 73 LEU HD23 H 1 0.753 0.005 . 2 . . . . . 69 LEU MD2 . 51726 1
565 . 1 . 1 73 73 LEU CA C 13 55.596 0.064 . 1 . . . . . 69 LEU CA . 51726 1
566 . 1 . 1 73 73 LEU CB C 13 44.08 0.083 . 1 . . . . . 69 LEU CB . 51726 1
567 . 1 . 1 73 73 LEU CD1 C 13 24.151 0.024 . 2 . . . . . 69 LEU CD1 . 51726 1
568 . 1 . 1 73 73 LEU CD2 C 13 26.517 0.084 . 2 . . . . . 69 LEU CD2 . 51726 1
569 . 1 . 1 73 73 LEU N N 15 119.257 0.036 . 1 . . . . . 69 LEU N . 51726 1
570 . 1 . 1 74 74 LYS H H 1 7.838 0.008 . 1 . . . . . 70 LYS H . 51726 1
571 . 1 . 1 74 74 LYS HA H 1 4.599 0.005 . 1 . . . . . 70 LYS HA . 51726 1
572 . 1 . 1 74 74 LYS HB2 H 1 1.553 0.003 . 2 . . . . . 70 LYS HB2 . 51726 1
573 . 1 . 1 74 74 LYS HB3 H 1 1.833 0.005 . 2 . . . . . 70 LYS HB3 . 51726 1
574 . 1 . 1 74 74 LYS HG2 H 1 1.44 0.01 . 2 . . . . . 70 LYS HG2 . 51726 1
575 . 1 . 1 74 74 LYS HG3 H 1 1.482 0 . 2 . . . . . 70 LYS HG3 . 51726 1
576 . 1 . 1 74 74 LYS HD2 H 1 1.682 0.002 . 2 . . . . . 70 LYS HD2 . 51726 1
577 . 1 . 1 74 74 LYS HD3 H 1 1.682 0.002 . 2 . . . . . 70 LYS HD3 . 51726 1
578 . 1 . 1 74 74 LYS HE2 H 1 2.99 0.008 . 2 . . . . . 70 LYS HE2 . 51726 1
579 . 1 . 1 74 74 LYS HE3 H 1 2.99 0.008 . 2 . . . . . 70 LYS HE3 . 51726 1
580 . 1 . 1 74 74 LYS CA C 13 53.7 0.071 . 1 . . . . . 70 LYS CA . 51726 1
581 . 1 . 1 74 74 LYS CB C 13 36.051 0.109 . 1 . . . . . 70 LYS CB . 51726 1
582 . 1 . 1 74 74 LYS CG C 13 24.427 0.138 . 1 . . . . . 70 LYS CG . 51726 1
583 . 1 . 1 74 74 LYS CD C 13 28.957 0.109 . 1 . . . . . 70 LYS CD . 51726 1
584 . 1 . 1 74 74 LYS CE C 13 42.463 0.078 . 1 . . . . . 70 LYS CE . 51726 1
585 . 1 . 1 74 74 LYS N N 15 119.243 0.069 . 1 . . . . . 70 LYS N . 51726 1
586 . 1 . 1 75 75 THR H H 1 8.574 0.002 . 1 . . . . . 71 THR H . 51726 1
587 . 1 . 1 75 75 THR HA H 1 3.532 0.007 . 1 . . . . . 71 THR HA . 51726 1
588 . 1 . 1 75 75 THR HB H 1 4.026 0.004 . 1 . . . . . 71 THR HB . 51726 1
589 . 1 . 1 75 75 THR HG21 H 1 1.183 0.005 . 1 . . . . . 71 THR MG . 51726 1
590 . 1 . 1 75 75 THR HG22 H 1 1.183 0.005 . 1 . . . . . 71 THR MG . 51726 1
591 . 1 . 1 75 75 THR HG23 H 1 1.183 0.005 . 1 . . . . . 71 THR MG . 51726 1
592 . 1 . 1 75 75 THR CA C 13 64.678 0.067 . 1 . . . . . 71 THR CA . 51726 1
593 . 1 . 1 75 75 THR CB C 13 68.408 0.093 . 1 . . . . . 71 THR CB . 51726 1
594 . 1 . 1 75 75 THR CG2 C 13 22.551 0.043 . 1 . . . . . 71 THR CG2 . 51726 1
595 . 1 . 1 75 75 THR N N 15 116.064 0.037 . 1 . . . . . 71 THR N . 51726 1
596 . 1 . 1 76 76 GLY H H 1 9.212 0.003 . 1 . . . . . 72 GLY H . 51726 1
597 . 1 . 1 76 76 GLY HA2 H 1 4.496 0.004 . 2 . . . . . 72 GLY HA2 . 51726 1
598 . 1 . 1 76 76 GLY HA3 H 1 3.513 0.013 . 2 . . . . . 72 GLY HA3 . 51726 1
599 . 1 . 1 76 76 GLY CA C 13 44.67 0.09 . 1 . . . . . 72 GLY CA . 51726 1
600 . 1 . 1 76 76 GLY N N 15 113.74 0.04 . 1 . . . . . 72 GLY N . 51726 1
601 . 1 . 1 77 77 ASN H H 1 7.955 0.003 . 1 . . . . . 73 ASN H . 51726 1
602 . 1 . 1 77 77 ASN HA H 1 4.724 0.005 . 1 . . . . . 73 ASN HA . 51726 1
603 . 1 . 1 77 77 ASN HB2 H 1 2.685 0.003 . 2 . . . . . 73 ASN HB2 . 51726 1
604 . 1 . 1 77 77 ASN HB3 H 1 2.685 0.003 . 2 . . . . . 73 ASN HB3 . 51726 1
605 . 1 . 1 77 77 ASN CA C 13 54.15 0.041 . 1 . . . . . 73 ASN CA . 51726 1
606 . 1 . 1 77 77 ASN CB C 13 40.038 0.069 . 1 . . . . . 73 ASN CB . 51726 1
607 . 1 . 1 77 77 ASN N N 15 117.327 0.03 . 1 . . . . . 73 ASN N . 51726 1
608 . 1 . 1 78 78 HIS H H 1 9.294 0.003 . 1 . . . . . 74 HIS H . 51726 1
609 . 1 . 1 78 78 HIS HA H 1 5.199 0.006 . 1 . . . . . 74 HIS HA . 51726 1
610 . 1 . 1 78 78 HIS HB2 H 1 3.281 0.005 . 2 . . . . . 74 HIS HB2 . 51726 1
611 . 1 . 1 78 78 HIS HB3 H 1 3.232 0.008 . 2 . . . . . 74 HIS HB3 . 51726 1
612 . 1 . 1 78 78 HIS HD2 H 1 7.333 0.027 . 1 . . . . . 74 HIS HD2 . 51726 1
613 . 1 . 1 78 78 HIS HE1 H 1 8.151 0 . 1 . . . . . 74 HIS HE1 . 51726 1
614 . 1 . 1 78 78 HIS CA C 13 55.687 0.066 . 1 . . . . . 74 HIS CA . 51726 1
615 . 1 . 1 78 78 HIS CB C 13 29.454 0.091 . 1 . . . . . 74 HIS CB . 51726 1
616 . 1 . 1 78 78 HIS CD2 C 13 120.902 0 . 1 . . . . . 74 HIS CD2 . 51726 1
617 . 1 . 1 78 78 HIS CE1 C 13 138.201 0 . 1 . . . . . 74 HIS CE1 . 51726 1
618 . 1 . 1 78 78 HIS N N 15 123.445 0.202 . 1 . . . . . 74 HIS N . 51726 1
619 . 1 . 1 79 79 VAL H H 1 9.142 0.005 . 1 . . . . . 75 VAL H . 51726 1
620 . 1 . 1 79 79 VAL HA H 1 5.502 0.007 . 1 . . . . . 75 VAL HA . 51726 1
621 . 1 . 1 79 79 VAL HB H 1 2.058 0.005 . 1 . . . . . 75 VAL HB . 51726 1
622 . 1 . 1 79 79 VAL HG11 H 1 0.687 0.002 . 2 . . . . . 75 VAL MG1 . 51726 1
623 . 1 . 1 79 79 VAL HG12 H 1 0.687 0.002 . 2 . . . . . 75 VAL MG1 . 51726 1
624 . 1 . 1 79 79 VAL HG13 H 1 0.687 0.002 . 2 . . . . . 75 VAL MG1 . 51726 1
625 . 1 . 1 79 79 VAL HG21 H 1 0.606 0.007 . 2 . . . . . 75 VAL MG2 . 51726 1
626 . 1 . 1 79 79 VAL HG22 H 1 0.606 0.007 . 2 . . . . . 75 VAL MG2 . 51726 1
627 . 1 . 1 79 79 VAL HG23 H 1 0.606 0.007 . 2 . . . . . 75 VAL MG2 . 51726 1
628 . 1 . 1 79 79 VAL CA C 13 58.412 0.055 . 1 . . . . . 75 VAL CA . 51726 1
629 . 1 . 1 79 79 VAL CB C 13 36.068 0.094 . 1 . . . . . 75 VAL CB . 51726 1
630 . 1 . 1 79 79 VAL CG1 C 13 23.072 0.103 . 2 . . . . . 75 VAL CG1 . 51726 1
631 . 1 . 1 79 79 VAL CG2 C 13 17.9 0.05 . 2 . . . . . 75 VAL CG2 . 51726 1
632 . 1 . 1 79 79 VAL N N 15 115.278 0.154 . 1 . . . . . 75 VAL N . 51726 1
633 . 1 . 1 80 80 ASP H H 1 8.682 0.003 . 1 . . . . . 76 ASP H . 51726 1
634 . 1 . 1 80 80 ASP HA H 1 5.329 0.004 . 1 . . . . . 76 ASP HA . 51726 1
635 . 1 . 1 80 80 ASP HB2 H 1 2.512 0.005 . 2 . . . . . 76 ASP HB2 . 51726 1
636 . 1 . 1 80 80 ASP HB3 H 1 2.725 0.019 . 2 . . . . . 76 ASP HB3 . 51726 1
637 . 1 . 1 80 80 ASP CA C 13 53.249 0.089 . 1 . . . . . 76 ASP CA . 51726 1
638 . 1 . 1 80 80 ASP CB C 13 42.644 0.074 . 1 . . . . . 76 ASP CB . 51726 1
639 . 1 . 1 80 80 ASP N N 15 121.393 0.054 . 1 . . . . . 76 ASP N . 51726 1
640 . 1 . 1 81 81 PHE H H 1 8.498 0.005 . 1 . . . . . 77 PHE H . 51726 1
641 . 1 . 1 81 81 PHE HA H 1 5.386 0.013 . 1 . . . . . 77 PHE HA . 51726 1
642 . 1 . 1 81 81 PHE HB2 H 1 2.7 0.007 . 2 . . . . . 77 PHE HB2 . 51726 1
643 . 1 . 1 81 81 PHE HB3 H 1 3.175 0.002 . 2 . . . . . 77 PHE HB3 . 51726 1
644 . 1 . 1 81 81 PHE HD1 H 1 6.534 0.003 . 3 . . . . . 77 PHE HD1 . 51726 1
645 . 1 . 1 81 81 PHE HD2 H 1 6.534 0.003 . 3 . . . . . 77 PHE HD2 . 51726 1
646 . 1 . 1 81 81 PHE HE1 H 1 6.516 0.001 . 3 . . . . . 77 PHE HE1 . 51726 1
647 . 1 . 1 81 81 PHE HE2 H 1 6.516 0.001 . 3 . . . . . 77 PHE HE2 . 51726 1
648 . 1 . 1 81 81 PHE HZ H 1 6.5 0.001 . 1 . . . . . 77 PHE HZ . 51726 1
649 . 1 . 1 81 81 PHE CA C 13 55.91 0.094 . 1 . . . . . 77 PHE CA . 51726 1
650 . 1 . 1 81 81 PHE CB C 13 41.661 0.12 . 1 . . . . . 77 PHE CB . 51726 1
651 . 1 . 1 81 81 PHE CD1 C 13 131.598 0 . 3 . . . . . 77 PHE CD1 . 51726 1
652 . 1 . 1 81 81 PHE CD2 C 13 131.598 0 . 3 . . . . . 77 PHE CD2 . 51726 1
653 . 1 . 1 81 81 PHE CE1 C 13 130.523 0 . 3 . . . . . 77 PHE CE1 . 51726 1
654 . 1 . 1 81 81 PHE CE2 C 13 130.523 0 . 3 . . . . . 77 PHE CE2 . 51726 1
655 . 1 . 1 81 81 PHE CZ C 13 127.381 0 . 1 . . . . . 77 PHE CZ . 51726 1
656 . 1 . 1 81 81 PHE N N 15 118.16 0.036 . 1 . . . . . 77 PHE N . 51726 1
657 . 1 . 1 82 82 SER H H 1 8.954 0.003 . 1 . . . . . 78 SER H . 51726 1
658 . 1 . 1 82 82 SER HA H 1 5.816 0.004 . 1 . . . . . 78 SER HA . 51726 1
659 . 1 . 1 82 82 SER HB2 H 1 3.622 0.003 . 2 . . . . . 78 SER HB2 . 51726 1
660 . 1 . 1 82 82 SER HB3 H 1 3.622 0.003 . 2 . . . . . 78 SER HB3 . 51726 1
661 . 1 . 1 82 82 SER CA C 13 56.468 0.05 . 1 . . . . . 78 SER CA . 51726 1
662 . 1 . 1 82 82 SER CB C 13 67.016 0.039 . 1 . . . . . 78 SER CB . 51726 1
663 . 1 . 1 82 82 SER N N 15 114.56 0.021 . 1 . . . . . 78 SER N . 51726 1
664 . 1 . 1 83 83 PHE H H 1 9.674 0.002 . 1 . . . . . 79 PHE H . 51726 1
665 . 1 . 1 83 83 PHE HA H 1 5.738 0.005 . 1 . . . . . 79 PHE HA . 51726 1
666 . 1 . 1 83 83 PHE HB2 H 1 3.108 0.011 . 2 . . . . . 79 PHE HB2 . 51726 1
667 . 1 . 1 83 83 PHE HB3 H 1 3.108 0.011 . 2 . . . . . 79 PHE HB3 . 51726 1
668 . 1 . 1 83 83 PHE HD1 H 1 7.023 0.003 . 3 . . . . . 79 PHE HD1 . 51726 1
669 . 1 . 1 83 83 PHE HD2 H 1 7.023 0.003 . 3 . . . . . 79 PHE HD2 . 51726 1
670 . 1 . 1 83 83 PHE HE1 H 1 6.707 0.004 . 3 . . . . . 79 PHE HE1 . 51726 1
671 . 1 . 1 83 83 PHE HE2 H 1 6.707 0.004 . 3 . . . . . 79 PHE HE2 . 51726 1
672 . 1 . 1 83 83 PHE HZ H 1 7.017 0 . 1 . . . . . 79 PHE HZ . 51726 1
673 . 1 . 1 83 83 PHE CA C 13 56.384 0.073 . 1 . . . . . 79 PHE CA . 51726 1
674 . 1 . 1 83 83 PHE CB C 13 42.649 0.028 . 1 . . . . . 79 PHE CB . 51726 1
675 . 1 . 1 83 83 PHE CD1 C 13 132.763 0 . 3 . . . . . 79 PHE CD1 . 51726 1
676 . 1 . 1 83 83 PHE CD2 C 13 132.763 0 . 3 . . . . . 79 PHE CD2 . 51726 1
677 . 1 . 1 83 83 PHE CE1 C 13 130.811 0 . 3 . . . . . 79 PHE CE1 . 51726 1
678 . 1 . 1 83 83 PHE CE2 C 13 130.811 0 . 3 . . . . . 79 PHE CE2 . 51726 1
679 . 1 . 1 83 83 PHE CZ C 13 130.785 0 . 1 . . . . . 79 PHE CZ . 51726 1
680 . 1 . 1 83 83 PHE N N 15 120.725 0.024 . 1 . . . . . 79 PHE N . 51726 1
681 . 1 . 1 84 84 ILE H H 1 8.977 0.004 . 1 . . . . . 80 ILE H . 51726 1
682 . 1 . 1 84 84 ILE HA H 1 4.711 0.005 . 1 . . . . . 80 ILE HA . 51726 1
683 . 1 . 1 84 84 ILE HB H 1 1.761 0.006 . 1 . . . . . 80 ILE HB . 51726 1
684 . 1 . 1 84 84 ILE HG12 H 1 1.057 0.01 . 2 . . . . . 80 ILE HG12 . 51726 1
685 . 1 . 1 84 84 ILE HG13 H 1 1.505 0.007 . 2 . . . . . 80 ILE HG13 . 51726 1
686 . 1 . 1 84 84 ILE HG21 H 1 0.885 0.005 . 1 . . . . . 80 ILE MG . 51726 1
687 . 1 . 1 84 84 ILE HG22 H 1 0.885 0.005 . 1 . . . . . 80 ILE MG . 51726 1
688 . 1 . 1 84 84 ILE HG23 H 1 0.885 0.005 . 1 . . . . . 80 ILE MG . 51726 1
689 . 1 . 1 84 84 ILE HD11 H 1 0.846 0.004 . 1 . . . . . 80 ILE MD . 51726 1
690 . 1 . 1 84 84 ILE HD12 H 1 0.846 0.004 . 1 . . . . . 80 ILE MD . 51726 1
691 . 1 . 1 84 84 ILE HD13 H 1 0.846 0.004 . 1 . . . . . 80 ILE MD . 51726 1
692 . 1 . 1 84 84 ILE CA C 13 59.034 0.066 . 1 . . . . . 80 ILE CA . 51726 1
693 . 1 . 1 84 84 ILE CB C 13 42.259 0.055 . 1 . . . . . 80 ILE CB . 51726 1
694 . 1 . 1 84 84 ILE CG1 C 13 26.989 0.044 . 1 . . . . . 80 ILE CG1 . 51726 1
695 . 1 . 1 84 84 ILE CG2 C 13 18.486 0.065 . 1 . . . . . 80 ILE CG2 . 51726 1
696 . 1 . 1 84 84 ILE CD1 C 13 14.118 0.062 . 1 . . . . . 80 ILE CD1 . 51726 1
697 . 1 . 1 84 84 ILE N N 15 113.121 0.027 . 1 . . . . . 80 ILE N . 51726 1
698 . 1 . 1 85 85 GLN H H 1 9.157 0.001 . 1 . . . . . 81 GLN H . 51726 1
699 . 1 . 1 85 85 GLN HA H 1 5.071 0.007 . 1 . . . . . 81 GLN HA . 51726 1
700 . 1 . 1 85 85 GLN HB2 H 1 2.106 0.007 . 2 . . . . . 81 GLN HB2 . 51726 1
701 . 1 . 1 85 85 GLN HB3 H 1 2.138 0.013 . 2 . . . . . 81 GLN HB3 . 51726 1
702 . 1 . 1 85 85 GLN HG2 H 1 2.364 0.004 . 2 . . . . . 81 GLN HG2 . 51726 1
703 . 1 . 1 85 85 GLN HG3 H 1 2.487 0.001 . 2 . . . . . 81 GLN HG3 . 51726 1
704 . 1 . 1 85 85 GLN CA C 13 55.047 0.046 . 1 . . . . . 81 GLN CA . 51726 1
705 . 1 . 1 85 85 GLN CB C 13 30.004 0.054 . 1 . . . . . 81 GLN CB . 51726 1
706 . 1 . 1 85 85 GLN CG C 13 33.67 0.067 . 1 . . . . . 81 GLN CG . 51726 1
707 . 1 . 1 85 85 GLN N N 15 124.547 0.027 . 1 . . . . . 81 GLN N . 51726 1
708 . 1 . 1 86 86 GLN H H 1 9.044 0.003 . 1 . . . . . 82 GLN H . 51726 1
709 . 1 . 1 86 86 GLN HA H 1 4.682 0.012 . 1 . . . . . 82 GLN HA . 51726 1
710 . 1 . 1 86 86 GLN HB2 H 1 1.875 0.006 . 2 . . . . . 82 GLN HB2 . 51726 1
711 . 1 . 1 86 86 GLN HB3 H 1 2.028 0.002 . 2 . . . . . 82 GLN HB3 . 51726 1
712 . 1 . 1 86 86 GLN HG2 H 1 2.195 0.002 . 2 . . . . . 82 GLN HG2 . 51726 1
713 . 1 . 1 86 86 GLN HG3 H 1 2.195 0.002 . 2 . . . . . 82 GLN HG3 . 51726 1
714 . 1 . 1 86 86 GLN CA C 13 54.082 0.056 . 1 . . . . . 82 GLN CA . 51726 1
715 . 1 . 1 86 86 GLN CB C 13 30.128 0.042 . 1 . . . . . 82 GLN CB . 51726 1
716 . 1 . 1 86 86 GLN CG C 13 34.029 0.067 . 1 . . . . . 82 GLN CG . 51726 1
717 . 1 . 1 86 86 GLN N N 15 128.348 0.027 . 1 . . . . . 82 GLN N . 51726 1
718 . 1 . 1 87 87 GLY H H 1 9.011 0.002 . 1 . . . . . 83 GLY H . 51726 1
719 . 1 . 1 87 87 GLY HA2 H 1 4.029 0.009 . 2 . . . . . 83 GLY HA2 . 51726 1
720 . 1 . 1 87 87 GLY HA3 H 1 3.686 0.007 . 2 . . . . . 83 GLY HA3 . 51726 1
721 . 1 . 1 87 87 GLY CA C 13 47.228 0.083 . 1 . . . . . 83 GLY CA . 51726 1
722 . 1 . 1 87 87 GLY N N 15 116.484 0.047 . 1 . . . . . 83 GLY N . 51726 1
723 . 1 . 1 88 88 ASN H H 1 8.998 0.005 . 1 . . . . . 84 ASN H . 51726 1
724 . 1 . 1 88 88 ASN HA H 1 4.746 0.006 . 1 . . . . . 84 ASN HA . 51726 1
725 . 1 . 1 88 88 ASN HB2 H 1 2.882 0.005 . 2 . . . . . 84 ASN HB2 . 51726 1
726 . 1 . 1 88 88 ASN HB3 H 1 2.882 0.005 . 2 . . . . . 84 ASN HB3 . 51726 1
727 . 1 . 1 88 88 ASN CA C 13 53.385 0.075 . 1 . . . . . 84 ASN CA . 51726 1
728 . 1 . 1 88 88 ASN CB C 13 38.361 0.104 . 1 . . . . . 84 ASN CB . 51726 1
729 . 1 . 1 88 88 ASN N N 15 125.192 0.066 . 1 . . . . . 84 ASN N . 51726 1
730 . 1 . 1 89 89 ILE H H 1 8.07 0.001 . 1 . . . . . 85 ILE H . 51726 1
731 . 1 . 1 89 89 ILE HA H 1 4.231 0.013 . 1 . . . . . 85 ILE HA . 51726 1
732 . 1 . 1 89 89 ILE HB H 1 2.212 0.009 . 1 . . . . . 85 ILE HB . 51726 1
733 . 1 . 1 89 89 ILE HG12 H 1 1.584 0.006 . 2 . . . . . 85 ILE HG12 . 51726 1
734 . 1 . 1 89 89 ILE HG13 H 1 1.312 0.003 . 2 . . . . . 85 ILE HG13 . 51726 1
735 . 1 . 1 89 89 ILE HG21 H 1 0.903 0.007 . 1 . . . . . 85 ILE MG . 51726 1
736 . 1 . 1 89 89 ILE HG22 H 1 0.903 0.007 . 1 . . . . . 85 ILE MG . 51726 1
737 . 1 . 1 89 89 ILE HG23 H 1 0.903 0.007 . 1 . . . . . 85 ILE MG . 51726 1
738 . 1 . 1 89 89 ILE HD11 H 1 0.843 0.006 . 1 . . . . . 85 ILE MD . 51726 1
739 . 1 . 1 89 89 ILE HD12 H 1 0.843 0.006 . 1 . . . . . 85 ILE MD . 51726 1
740 . 1 . 1 89 89 ILE HD13 H 1 0.843 0.006 . 1 . . . . . 85 ILE MD . 51726 1
741 . 1 . 1 89 89 ILE CA C 13 60.276 0.099 . 1 . . . . . 85 ILE CA . 51726 1
742 . 1 . 1 89 89 ILE CB C 13 39.506 0.074 . 1 . . . . . 85 ILE CB . 51726 1
743 . 1 . 1 89 89 ILE CG1 C 13 27.151 0.113 . 1 . . . . . 85 ILE CG1 . 51726 1
744 . 1 . 1 89 89 ILE CG2 C 13 17.442 0.127 . 1 . . . . . 85 ILE CG2 . 51726 1
745 . 1 . 1 89 89 ILE CD1 C 13 12.391 0.091 . 1 . . . . . 85 ILE CD1 . 51726 1
746 . 1 . 1 89 89 ILE N N 15 121.552 0.033 . 1 . . . . . 85 ILE N . 51726 1
747 . 1 . 1 90 90 SER H H 1 8.404 0.005 . 1 . . . . . 86 SER H . 51726 1
748 . 1 . 1 90 90 SER HA H 1 5.223 0.004 . 1 . . . . . 86 SER HA . 51726 1
749 . 1 . 1 90 90 SER HB2 H 1 3.409 0.004 . 2 . . . . . 86 SER HB2 . 51726 1
750 . 1 . 1 90 90 SER HB3 H 1 3.707 0.006 . 2 . . . . . 86 SER HB3 . 51726 1
751 . 1 . 1 90 90 SER CA C 13 57.842 0.043 . 1 . . . . . 86 SER CA . 51726 1
752 . 1 . 1 90 90 SER CB C 13 64.477 0.033 . 1 . . . . . 86 SER CB . 51726 1
753 . 1 . 1 90 90 SER N N 15 123.951 0.029 . 1 . . . . . 86 SER N . 51726 1
754 . 1 . 1 91 91 LEU H H 1 9.315 0.002 . 1 . . . . . 87 LEU H . 51726 1
755 . 1 . 1 91 91 LEU HA H 1 4.842 0.003 . 1 . . . . . 87 LEU HA . 51726 1
756 . 1 . 1 91 91 LEU HB2 H 1 1.293 0.003 . 2 . . . . . 87 LEU HB2 . 51726 1
757 . 1 . 1 91 91 LEU HB3 H 1 1.975 0.01 . 2 . . . . . 87 LEU HB3 . 51726 1
758 . 1 . 1 91 91 LEU HG H 1 1.522 0.004 . 1 . . . . . 87 LEU HG . 51726 1
759 . 1 . 1 91 91 LEU HD11 H 1 0.853 0.002 . 2 . . . . . 87 LEU MD1 . 51726 1
760 . 1 . 1 91 91 LEU HD12 H 1 0.853 0.002 . 2 . . . . . 87 LEU MD1 . 51726 1
761 . 1 . 1 91 91 LEU HD13 H 1 0.853 0.002 . 2 . . . . . 87 LEU MD1 . 51726 1
762 . 1 . 1 91 91 LEU HD21 H 1 0.832 0.004 . 2 . . . . . 87 LEU MD2 . 51726 1
763 . 1 . 1 91 91 LEU HD22 H 1 0.832 0.004 . 2 . . . . . 87 LEU MD2 . 51726 1
764 . 1 . 1 91 91 LEU HD23 H 1 0.832 0.004 . 2 . . . . . 87 LEU MD2 . 51726 1
765 . 1 . 1 91 91 LEU CA C 13 54.144 0.05 . 1 . . . . . 87 LEU CA . 51726 1
766 . 1 . 1 91 91 LEU CB C 13 44.427 0.118 . 1 . . . . . 87 LEU CB . 51726 1
767 . 1 . 1 91 91 LEU CG C 13 27.002 0.028 . 1 . . . . . 87 LEU CG . 51726 1
768 . 1 . 1 91 91 LEU CD1 C 13 23.959 0.052 . 2 . . . . . 87 LEU CD1 . 51726 1
769 . 1 . 1 91 91 LEU CD2 C 13 25.546 0.126 . 2 . . . . . 87 LEU CD2 . 51726 1
770 . 1 . 1 91 91 LEU N N 15 129.905 0.023 . 1 . . . . . 87 LEU N . 51726 1
771 . 1 . 1 92 92 LEU H H 1 9.488 0.002 . 1 . . . . . 88 LEU H . 51726 1
772 . 1 . 1 92 92 LEU HA H 1 4.56 0.007 . 1 . . . . . 88 LEU HA . 51726 1
773 . 1 . 1 92 92 LEU HB2 H 1 1.828 0.007 . 2 . . . . . 88 LEU HB2 . 51726 1
774 . 1 . 1 92 92 LEU HB3 H 1 1.499 0.005 . 2 . . . . . 88 LEU HB3 . 51726 1
775 . 1 . 1 92 92 LEU HG H 1 1.802 0.003 . 1 . . . . . 88 LEU HG . 51726 1
776 . 1 . 1 92 92 LEU HD11 H 1 0.696 0.003 . 2 . . . . . 88 LEU MD1 . 51726 1
777 . 1 . 1 92 92 LEU HD12 H 1 0.696 0.003 . 2 . . . . . 88 LEU MD1 . 51726 1
778 . 1 . 1 92 92 LEU HD13 H 1 0.696 0.003 . 2 . . . . . 88 LEU MD1 . 51726 1
779 . 1 . 1 92 92 LEU HD21 H 1 0.748 0.003 . 2 . . . . . 88 LEU MD2 . 51726 1
780 . 1 . 1 92 92 LEU HD22 H 1 0.748 0.003 . 2 . . . . . 88 LEU MD2 . 51726 1
781 . 1 . 1 92 92 LEU HD23 H 1 0.748 0.003 . 2 . . . . . 88 LEU MD2 . 51726 1
782 . 1 . 1 92 92 LEU CA C 13 56.346 0.092 . 1 . . . . . 88 LEU CA . 51726 1
783 . 1 . 1 92 92 LEU CB C 13 43.36 0.086 . 1 . . . . . 88 LEU CB . 51726 1
784 . 1 . 1 92 92 LEU CG C 13 27.557 0.088 . 1 . . . . . 88 LEU CG . 51726 1
785 . 1 . 1 92 92 LEU CD1 C 13 24.756 0.062 . 2 . . . . . 88 LEU CD1 . 51726 1
786 . 1 . 1 92 92 LEU CD2 C 13 26.176 0.099 . 2 . . . . . 88 LEU CD2 . 51726 1
787 . 1 . 1 92 92 LEU N N 15 126.3 0.017 . 1 . . . . . 88 LEU N . 51726 1
788 . 1 . 1 93 93 LYS H H 1 9.442 0.004 . 1 . . . . . 89 LYS H . 51726 1
789 . 1 . 1 93 93 LYS HA H 1 4.598 0.006 . 1 . . . . . 89 LYS HA . 51726 1
790 . 1 . 1 93 93 LYS HB2 H 1 1.683 0.007 . 2 . . . . . 89 LYS HB2 . 51726 1
791 . 1 . 1 93 93 LYS HB3 H 1 1.822 0.006 . 2 . . . . . 89 LYS HB3 . 51726 1
792 . 1 . 1 93 93 LYS HG2 H 1 1.488 0.023 . 2 . . . . . 89 LYS HG2 . 51726 1
793 . 1 . 1 93 93 LYS HG3 H 1 1.426 0.005 . 2 . . . . . 89 LYS HG3 . 51726 1
794 . 1 . 1 93 93 LYS HE2 H 1 2.911 0.032 . 2 . . . . . 89 LYS HE2 . 51726 1
795 . 1 . 1 93 93 LYS HE3 H 1 2.911 0.032 . 2 . . . . . 89 LYS HE3 . 51726 1
796 . 1 . 1 93 93 LYS CA C 13 54.974 0.089 . 1 . . . . . 89 LYS CA . 51726 1
797 . 1 . 1 93 93 LYS CB C 13 33.077 0.09 . 1 . . . . . 89 LYS CB . 51726 1
798 . 1 . 1 93 93 LYS CG C 13 24.027 0.104 . 1 . . . . . 89 LYS CG . 51726 1
799 . 1 . 1 93 93 LYS CD C 13 27.46 0.057 . 1 . . . . . 89 LYS CD . 51726 1
800 . 1 . 1 93 93 LYS CE C 13 41.747 0.118 . 1 . . . . . 89 LYS CE . 51726 1
801 . 1 . 1 93 93 LYS N N 15 123.261 0.03 . 1 . . . . . 89 LYS N . 51726 1
802 . 1 . 1 94 94 SER H H 1 7.868 0.004 . 1 . . . . . 90 SER H . 51726 1
803 . 1 . 1 94 94 SER HA H 1 4.689 0.004 . 1 . . . . . 90 SER HA . 51726 1
804 . 1 . 1 94 94 SER HB2 H 1 3.835 0.006 . 2 . . . . . 90 SER HB2 . 51726 1
805 . 1 . 1 94 94 SER HB3 H 1 3.878 0.002 . 2 . . . . . 90 SER HB3 . 51726 1
806 . 1 . 1 94 94 SER CA C 13 58.083 0.073 . 1 . . . . . 90 SER CA . 51726 1
807 . 1 . 1 94 94 SER CB C 13 65.633 0.052 . 1 . . . . . 90 SER CB . 51726 1
808 . 1 . 1 94 94 SER N N 15 112.85 0.05 . 1 . . . . . 90 SER N . 51726 1
809 . 1 . 1 95 95 ILE H H 1 8.386 0.006 . 1 . . . . . 91 ILE H . 51726 1
810 . 1 . 1 95 95 ILE HA H 1 4.954 0.007 . 1 . . . . . 91 ILE HA . 51726 1
811 . 1 . 1 95 95 ILE HB H 1 1.99 0.006 . 1 . . . . . 91 ILE HB . 51726 1
812 . 1 . 1 95 95 ILE HG12 H 1 0.82 0.006 . 2 . . . . . 91 ILE HG12 . 51726 1
813 . 1 . 1 95 95 ILE HG13 H 1 1.602 0.003 . 2 . . . . . 91 ILE HG13 . 51726 1
814 . 1 . 1 95 95 ILE HG21 H 1 0.738 0.011 . 1 . . . . . 91 ILE MG . 51726 1
815 . 1 . 1 95 95 ILE HG22 H 1 0.738 0.011 . 1 . . . . . 91 ILE MG . 51726 1
816 . 1 . 1 95 95 ILE HG23 H 1 0.738 0.011 . 1 . . . . . 91 ILE MG . 51726 1
817 . 1 . 1 95 95 ILE HD11 H 1 0.602 0.004 . 1 . . . . . 91 ILE MD . 51726 1
818 . 1 . 1 95 95 ILE HD12 H 1 0.602 0.004 . 1 . . . . . 91 ILE MD . 51726 1
819 . 1 . 1 95 95 ILE HD13 H 1 0.602 0.004 . 1 . . . . . 91 ILE MD . 51726 1
820 . 1 . 1 95 95 ILE CA C 13 61.391 0.077 . 1 . . . . . 91 ILE CA . 51726 1
821 . 1 . 1 95 95 ILE CB C 13 40.017 0.083 . 1 . . . . . 91 ILE CB . 51726 1
822 . 1 . 1 95 95 ILE CG1 C 13 28.665 0.107 . 1 . . . . . 91 ILE CG1 . 51726 1
823 . 1 . 1 95 95 ILE CG2 C 13 14.795 0.068 . 1 . . . . . 91 ILE CG2 . 51726 1
824 . 1 . 1 95 95 ILE CD1 C 13 15.747 0.096 . 1 . . . . . 91 ILE CD1 . 51726 1
825 . 1 . 1 95 95 ILE N N 15 118.581 0.023 . 1 . . . . . 91 ILE N . 51726 1
826 . 1 . 1 96 96 ASN H H 1 8.867 0.008 . 1 . . . . . 92 ASN H . 51726 1
827 . 1 . 1 96 96 ASN HA H 1 5.028 0.006 . 1 . . . . . 92 ASN HA . 51726 1
828 . 1 . 1 96 96 ASN HB2 H 1 2.572 0.003 . 2 . . . . . 92 ASN HB2 . 51726 1
829 . 1 . 1 96 96 ASN HB3 H 1 2.682 0.001 . 2 . . . . . 92 ASN HB3 . 51726 1
830 . 1 . 1 96 96 ASN CA C 13 52.552 0.044 . 1 . . . . . 92 ASN CA . 51726 1
831 . 1 . 1 96 96 ASN CB C 13 42.448 0.067 . 1 . . . . . 92 ASN CB . 51726 1
832 . 1 . 1 96 96 ASN N N 15 122.516 0.063 . 1 . . . . . 92 ASN N . 51726 1
833 . 1 . 1 97 97 VAL H H 1 8.842 0.002 . 1 . . . . . 93 VAL H . 51726 1
834 . 1 . 1 97 97 VAL HA H 1 4.497 0.006 . 1 . . . . . 93 VAL HA . 51726 1
835 . 1 . 1 97 97 VAL HB H 1 2.002 0.009 . 1 . . . . . 93 VAL HB . 51726 1
836 . 1 . 1 97 97 VAL HG11 H 1 0.965 0.002 . 2 . . . . . 93 VAL MG1 . 51726 1
837 . 1 . 1 97 97 VAL HG12 H 1 0.965 0.002 . 2 . . . . . 93 VAL MG1 . 51726 1
838 . 1 . 1 97 97 VAL HG13 H 1 0.965 0.002 . 2 . . . . . 93 VAL MG1 . 51726 1
839 . 1 . 1 97 97 VAL HG21 H 1 1.007 0.01 . 2 . . . . . 93 VAL MG2 . 51726 1
840 . 1 . 1 97 97 VAL HG22 H 1 1.007 0.01 . 2 . . . . . 93 VAL MG2 . 51726 1
841 . 1 . 1 97 97 VAL HG23 H 1 1.007 0.01 . 2 . . . . . 93 VAL MG2 . 51726 1
842 . 1 . 1 97 97 VAL CA C 13 63.173 0.08 . 1 . . . . . 93 VAL CA . 51726 1
843 . 1 . 1 97 97 VAL CB C 13 32.099 0.086 . 1 . . . . . 93 VAL CB . 51726 1
844 . 1 . 1 97 97 VAL CG1 C 13 22.453 0.065 . 2 . . . . . 93 VAL CG1 . 51726 1
845 . 1 . 1 97 97 VAL CG2 C 13 21.323 0.111 . 2 . . . . . 93 VAL CG2 . 51726 1
846 . 1 . 1 97 97 VAL N N 15 123.512 0.042 . 1 . . . . . 93 VAL N . 51726 1
847 . 1 . 1 98 98 THR H H 1 8.907 0.013 . 1 . . . . . 94 THR H . 51726 1
848 . 1 . 1 98 98 THR HA H 1 4.362 0.003 . 1 . . . . . 94 THR HA . 51726 1
849 . 1 . 1 98 98 THR HB H 1 4.131 0.006 . 1 . . . . . 94 THR HB . 51726 1
850 . 1 . 1 98 98 THR HG21 H 1 1.116 0.009 . 1 . . . . . 94 THR MG . 51726 1
851 . 1 . 1 98 98 THR HG22 H 1 1.116 0.009 . 1 . . . . . 94 THR MG . 51726 1
852 . 1 . 1 98 98 THR HG23 H 1 1.116 0.009 . 1 . . . . . 94 THR MG . 51726 1
853 . 1 . 1 98 98 THR CA C 13 61.763 0.071 . 1 . . . . . 94 THR CA . 51726 1
854 . 1 . 1 98 98 THR CB C 13 69.877 0.095 . 1 . . . . . 94 THR CB . 51726 1
855 . 1 . 1 98 98 THR CG2 C 13 22.008 0.057 . 1 . . . . . 94 THR CG2 . 51726 1
856 . 1 . 1 98 98 THR N N 15 122.214 0.049 . 1 . . . . . 94 THR N . 51726 1
857 . 1 . 1 99 99 GLN H H 1 8.217 0.027 . 1 . . . . . 95 GLN H . 51726 1
858 . 1 . 1 99 99 GLN HA H 1 4.387 0.01 . 1 . . . . . 95 GLN HA . 51726 1
859 . 1 . 1 99 99 GLN HB2 H 1 2.001 0.012 . 2 . . . . . 95 GLN HB2 . 51726 1
860 . 1 . 1 99 99 GLN HB3 H 1 2.001 0.012 . 2 . . . . . 95 GLN HB3 . 51726 1
861 . 1 . 1 99 99 GLN HG2 H 1 2.341 0.006 . 2 . . . . . 95 GLN HG2 . 51726 1
862 . 1 . 1 99 99 GLN HG3 H 1 2.341 0.006 . 2 . . . . . 95 GLN HG3 . 51726 1
863 . 1 . 1 99 99 GLN CA C 13 56.081 0.093 . 1 . . . . . 95 GLN CA . 51726 1
864 . 1 . 1 99 99 GLN CB C 13 30.253 0.13 . 1 . . . . . 95 GLN CB . 51726 1
865 . 1 . 1 99 99 GLN CG C 13 33.862 0.041 . 1 . . . . . 95 GLN CG . 51726 1
866 . 1 . 1 99 99 GLN N N 15 122.614 0.1 . 1 . . . . . 95 GLN N . 51726 1
867 . 1 . 1 100 100 SER H H 1 8.195 0.01 . 1 . . . . . 96 SER H . 51726 1
868 . 1 . 1 100 100 SER HA H 1 4.17 0.005 . 1 . . . . . 96 SER HA . 51726 1
869 . 1 . 1 100 100 SER HB2 H 1 3.735 0.004 . 2 . . . . . 96 SER HB2 . 51726 1
870 . 1 . 1 100 100 SER HB3 H 1 3.771 0.007 . 2 . . . . . 96 SER HB3 . 51726 1
871 . 1 . 1 100 100 SER CA C 13 60.18 0.016 . 1 . . . . . 96 SER CA . 51726 1
872 . 1 . 1 100 100 SER CB C 13 64.613 0.052 . 1 . . . . . 96 SER CB . 51726 1
873 . 1 . 1 100 100 SER N N 15 124.506 0.039 . 1 . . . . . 96 SER N . 51726 1
stop_
save_