save_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 6836
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_Assigned_chem_shift_list.Chem_shift_1H_err 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_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_TOCSY 1 $sample_1 isotropic 6836 1
2 2D_NOESY 1 $sample_1 isotropic 6836 1
3 2D_COSY 1 $sample_1 isotropic 6836 1
4 2D_TOCSY-HSQC 2 $sample_2 isotropic 6836 1
5 2D_NOESY-HSQC 2 $sample_2 isotropic 6836 1
6 3D_TOCSY-HSQC 2 $sample_2 isotropic 6836 1
7 3D_NOESY-HSQC 2 $sample_2 isotropic 6836 1
8 15N_HSQC 2 $sample_2 isotropic 6836 1
9 13C_HSQC 2 $sample_2 isotropic 6836 1
10 3D_HNCA 2 $sample_2 isotropic 6836 1
11 3D_HNHA 2 $sample_2 isotropic 6836 1
12 3D_CBCACONH 2 $sample_2 isotropic 6836 1
13 3D_HCCH_TOCSY 2 $sample_2 isotropic 6836 1
14 3D_HNCO 2 $sample_2 isotropic 6836 1
15 3D_HNCACO 2 $sample_2 isotropic 6836 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 . . 6836 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 3 3 PRO CA C 13 63.033 0.02 . . . . . . 3 PRO CA . 6836 1
2 . 1 1 3 3 PRO CB C 13 31.740 0.02 . . . . . . 3 PRO CB . 6836 1
3 . 1 1 4 4 LYS H H 1 8.031 0.01 . . . . . . 4 LYS H . 6836 1
4 . 1 1 4 4 LYS HA H 1 4.278 0.01 . . . . . . 4 LYS HA . 6836 1
5 . 1 1 4 4 LYS HB2 H 1 1.621 0.01 . . . . . . 4 LYS HB2 . 6836 1
6 . 1 1 4 4 LYS HB3 H 1 1.530 0.01 . . . . . . 4 LYS HB3 . 6836 1
7 . 1 1 4 4 LYS CA C 13 54.358 0.02 . . . . . . 4 LYS CA . 6836 1
8 . 1 1 4 4 LYS CB C 13 34.900 0.02 . . . . . . 4 LYS CB . 6836 1
9 . 1 1 4 4 LYS N N 15 120.850 0.02 . . . . . . 4 LYS N . 6836 1
10 . 1 1 5 5 GLY H H 1 8.078 0.01 . . . . . . 5 GLY H . 6836 1
11 . 1 1 5 5 GLY HA2 H 1 3.730 0.01 . . . . . . 5 GLY HA2 . 6836 1
12 . 1 1 5 5 GLY HA3 H 1 2.665 0.01 . . . . . . 5 GLY HA3 . 6836 1
13 . 1 1 5 5 GLY CA C 13 44.240 0.02 . . . . . . 5 GLY CA . 6836 1
14 . 1 1 5 5 GLY N N 15 105.910 0.02 . . . . . . 5 GLY N . 6836 1
15 . 1 1 6 6 LYS H H 1 7.593 0.01 . . . . . . 6 LYS H . 6836 1
16 . 1 1 6 6 LYS HA H 1 3.548 0.01 . . . . . . 6 LYS HA . 6836 1
17 . 1 1 6 6 LYS HB2 H 1 1.406 0.01 . . . . . . 6 LYS HB2 . 6836 1
18 . 1 1 6 6 LYS HB3 H 1 1.345 0.01 . . . . . . 6 LYS HB3 . 6836 1
19 . 1 1 6 6 LYS HG2 H 1 1.218 0.01 . . . . . . 6 LYS HG2 . 6836 1
20 . 1 1 6 6 LYS HG3 H 1 1.160 0.01 . . . . . . 6 LYS HG3 . 6836 1
21 . 1 1 6 6 LYS HD2 H 1 0.467 0.01 . . . . . . 6 LYS HD2 . 6836 1
22 . 1 1 6 6 LYS HD3 H 1 0.498 0.01 . . . . . . 6 LYS HD3 . 6836 1
23 . 1 1 6 6 LYS CA C 13 58.949 0.02 . . . . . . 6 LYS CA . 6836 1
24 . 1 1 6 6 LYS N N 15 123.740 0.02 . . . . . . 6 LYS N . 6836 1
25 . 1 1 7 7 TYR H H 1 8.311 0.01 . . . . . . 7 TYR H . 6836 1
26 . 1 1 7 7 TYR HA H 1 4.630 0.01 . . . . . . 7 TYR HA . 6836 1
27 . 1 1 7 7 TYR HB2 H 1 2.902 0.01 . . . . . . 7 TYR HB2 . 6836 1
28 . 1 1 7 7 TYR HB3 H 1 2.843 0.01 . . . . . . 7 TYR HB3 . 6836 1
29 . 1 1 7 7 TYR HD1 H 1 6.658 0.01 . . . . . . 7 TYR HD . 6836 1
30 . 1 1 7 7 TYR HD2 H 1 6.658 0.01 . . . . . . 7 TYR HD . 6836 1
31 . 1 1 7 7 TYR HE1 H 1 6.703 0.01 . . . . . . 7 TYR HE . 6836 1
32 . 1 1 7 7 TYR HE2 H 1 6.703 0.01 . . . . . . 7 TYR HE . 6836 1
33 . 1 1 7 7 TYR CA C 13 53.895 0.02 . . . . . . 7 TYR CA . 6836 1
34 . 1 1 7 7 TYR N N 15 118.440 0.02 . . . . . . 7 TYR N . 6836 1
35 . 1 1 8 8 PRO HA H 1 4.374 0.01 . . . . . . 8 PRO HA . 6836 1
36 . 1 1 8 8 PRO CA C 13 62.462 0.02 . . . . . . 8 PRO CA . 6836 1
37 . 1 1 8 8 PRO CB C 13 31.130 0.02 . . . . . . 8 PRO CB . 6836 1
38 . 1 1 9 9 ILE H H 1 8.595 0.01 . . . . . . 9 ILE H . 6836 1
39 . 1 1 9 9 ILE HA H 1 4.683 0.01 . . . . . . 9 ILE HA . 6836 1
40 . 1 1 9 9 ILE HB H 1 1.811 0.01 . . . . . . 9 ILE HB . 6836 1
41 . 1 1 9 9 ILE HD11 H 1 -0.306 0.01 . . . . . . 9 ILE HD1 . 6836 1
42 . 1 1 9 9 ILE HD12 H 1 -0.306 0.01 . . . . . . 9 ILE HD1 . 6836 1
43 . 1 1 9 9 ILE HD13 H 1 -0.306 0.01 . . . . . . 9 ILE HD1 . 6836 1
44 . 1 1 9 9 ILE CA C 13 60.505 0.02 . . . . . . 9 ILE CA . 6836 1
45 . 1 1 9 9 ILE CB C 13 38.660 0.02 . . . . . . 9 ILE CB . 6836 1
46 . 1 1 9 9 ILE N N 15 131.930 0.02 . . . . . . 9 ILE N . 6836 1
47 . 1 1 10 10 SER H H 1 9.460 0.01 . . . . . . 10 SER H . 6836 1
48 . 1 1 10 10 SER HA H 1 5.228 0.01 . . . . . . 10 SER HA . 6836 1
49 . 1 1 10 10 SER HB2 H 1 3.488 0.01 . . . . . . 10 SER HB2 . 6836 1
50 . 1 1 10 10 SER HB3 H 1 3.444 0.01 . . . . . . 10 SER HB3 . 6836 1
51 . 1 1 10 10 SER CA C 13 56.242 0.02 . . . . . . 10 SER CA . 6836 1
52 . 1 1 10 10 SER CB C 13 65.120 0.02 . . . . . . 10 SER CB . 6836 1
53 . 1 1 10 10 SER N N 15 125.190 0.02 . . . . . . 10 SER N . 6836 1
54 . 1 1 11 11 VAL H H 1 8.420 0.01 . . . . . . 11 VAL H . 6836 1
55 . 1 1 11 11 VAL HA H 1 4.710 0.01 . . . . . . 11 VAL HA . 6836 1
56 . 1 1 11 11 VAL HB H 1 1.757 0.01 . . . . . . 11 VAL HB . 6836 1
57 . 1 1 11 11 VAL HG11 H 1 1.097 0.01 . . . . . . 11 VAL HG1 . 6836 1
58 . 1 1 11 11 VAL HG12 H 1 1.097 0.01 . . . . . . 11 VAL HG1 . 6836 1
59 . 1 1 11 11 VAL HG13 H 1 1.097 0.01 . . . . . . 11 VAL HG1 . 6836 1
60 . 1 1 11 11 VAL HG21 H 1 0.766 0.01 . . . . . . 11 VAL HG2 . 6836 1
61 . 1 1 11 11 VAL HG22 H 1 0.766 0.01 . . . . . . 11 VAL HG2 . 6836 1
62 . 1 1 11 11 VAL HG23 H 1 0.766 0.01 . . . . . . 11 VAL HG2 . 6836 1
63 . 1 1 11 11 VAL CA C 13 63.333 0.02 . . . . . . 11 VAL CA . 6836 1
64 . 1 1 11 11 VAL N N 15 126.150 0.02 . . . . . . 11 VAL N . 6836 1
65 . 1 1 19 19 VAL H H 1 8.920 0.01 . . . . . . 19 VAL H . 6836 1
66 . 1 1 19 19 VAL CA C 13 65.410 0.02 . . . . . . 19 VAL CA . 6836 1
67 . 1 1 19 19 VAL N N 15 119.264 0.02 . . . . . . 19 VAL N . 6836 1
68 . 1 1 20 20 LYS H H 1 7.000 0.01 . . . . . . 20 LYS H . 6836 1
69 . 1 1 20 20 LYS HA H 1 3.960 0.01 . . . . . . 20 LYS HA . 6836 1
70 . 1 1 20 20 LYS CA C 13 55.566 0.02 . . . . . . 20 LYS CA . 6836 1
71 . 1 1 20 20 LYS CB C 13 31.800 0.02 . . . . . . 20 LYS CB . 6836 1
72 . 1 1 20 20 LYS N N 15 119.264 0.02 . . . . . . 20 LYS N . 6836 1
73 . 1 1 21 21 GLY H H 1 7.677 0.01 . . . . . . 21 GLY H . 6836 1
74 . 1 1 21 21 GLY HA2 H 1 3.884 0.01 . . . . . . 21 GLY HA2 . 6836 1
75 . 1 1 21 21 GLY HA3 H 1 4.367 0.01 . . . . . . 21 GLY HA3 . 6836 1
76 . 1 1 21 21 GLY CA C 13 45.738 0.02 . . . . . . 21 GLY CA . 6836 1
77 . 1 1 21 21 GLY N N 15 106.870 0.02 . . . . . . 21 GLY N . 6836 1
78 . 1 1 22 22 ALA H H 1 8.655 0.01 . . . . . . 22 ALA H . 6836 1
79 . 1 1 22 22 ALA HA H 1 4.358 0.01 . . . . . . 22 ALA HA . 6836 1
80 . 1 1 22 22 ALA HB1 H 1 1.791 0.01 . . . . . . 22 ALA HB . 6836 1
81 . 1 1 22 22 ALA HB2 H 1 1.791 0.01 . . . . . . 22 ALA HB . 6836 1
82 . 1 1 22 22 ALA HB3 H 1 1.791 0.01 . . . . . . 22 ALA HB . 6836 1
83 . 1 1 22 22 ALA CA C 13 56.309 0.02 . . . . . . 22 ALA CA . 6836 1
84 . 1 1 22 22 ALA CB C 13 21.790 0.02 . . . . . . 22 ALA CB . 6836 1
85 . 1 1 22 22 ALA N N 15 125.670 0.02 . . . . . . 22 ALA N . 6836 1
86 . 1 1 23 23 ASP H H 1 8.992 0.01 . . . . . . 23 ASP H . 6836 1
87 . 1 1 23 23 ASP HA H 1 4.140 0.01 . . . . . . 23 ASP HA . 6836 1
88 . 1 1 23 23 ASP HB2 H 1 2.550 0.01 . . . . . . 23 ASP HB2 . 6836 1
89 . 1 1 23 23 ASP HB3 H 1 2.506 0.01 . . . . . . 23 ASP HB3 . 6836 1
90 . 1 1 23 23 ASP CA C 13 56.581 0.02 . . . . . . 23 ASP CA . 6836 1
91 . 1 1 23 23 ASP CB C 13 38.660 0.02 . . . . . . 23 ASP CB . 6836 1
92 . 1 1 23 23 ASP N N 15 115.070 0.02 . . . . . . 23 ASP N . 6836 1
93 . 1 1 24 24 LYS H H 1 7.486 0.01 . . . . . . 24 LYS H . 6836 1
94 . 1 1 24 24 LYS HA H 1 4.068 0.01 . . . . . . 24 LYS HA . 6836 1
95 . 1 1 24 24 LYS HB2 H 1 1.766 0.01 . . . . . . 24 LYS HB2 . 6836 1
96 . 1 1 24 24 LYS HB3 H 1 1.810 0.01 . . . . . . 24 LYS HB3 . 6836 1
97 . 1 1 24 24 LYS HD2 H 1 1.975 0.01 . . . . . . 24 LYS HD2 . 6836 1
98 . 1 1 24 24 LYS HD3 H 1 1.931 0.01 . . . . . . 24 LYS HD3 . 6836 1
99 . 1 1 24 24 LYS CA C 13 58.134 0.02 . . . . . . 24 LYS CA . 6836 1
100 . 1 1 24 24 LYS CB C 13 31.620 0.02 . . . . . . 24 LYS CB . 6836 1
101 . 1 1 24 24 LYS N N 15 123.258 0.02 . . . . . . 24 LYS N . 6836 1
102 . 1 1 25 25 VAL H H 1 7.808 0.01 . . . . . . 25 VAL H . 6836 1
103 . 1 1 25 25 VAL HA H 1 3.282 0.01 . . . . . . 25 VAL HA . 6836 1
104 . 1 1 25 25 VAL HB H 1 2.320 0.01 . . . . . . 25 VAL HB . 6836 1
105 . 1 1 25 25 VAL HG11 H 1 0.788 0.01 . . . . . . 25 VAL HG1 . 6836 1
106 . 1 1 25 25 VAL HG12 H 1 0.788 0.01 . . . . . . 25 VAL HG1 . 6836 1
107 . 1 1 25 25 VAL HG13 H 1 0.788 0.01 . . . . . . 25 VAL HG1 . 6836 1
108 . 1 1 25 25 VAL HG21 H 1 0.591 0.01 . . . . . . 25 VAL HG2 . 6836 1
109 . 1 1 25 25 VAL HG22 H 1 0.591 0.01 . . . . . . 25 VAL HG2 . 6836 1
110 . 1 1 25 25 VAL HG23 H 1 0.591 0.01 . . . . . . 25 VAL HG2 . 6836 1
111 . 1 1 25 25 VAL CA C 13 67.205 0.02 . . . . . . 25 VAL CA . 6836 1
112 . 1 1 25 25 VAL CB C 13 31.371 0.02 . . . . . . 25 VAL CB . 6836 1
113 . 1 1 25 25 VAL N N 15 124.220 0.02 . . . . . . 25 VAL N . 6836 1
114 . 1 1 26 26 VAL H H 1 8.697 0.01 . . . . . . 26 VAL H . 6836 1
115 . 1 1 26 26 VAL HA H 1 3.743 0.01 . . . . . . 26 VAL HA . 6836 1
116 . 1 1 26 26 VAL HB H 1 2.201 0.01 . . . . . . 26 VAL HB . 6836 1
117 . 1 1 26 26 VAL HG21 H 1 1.001 0.01 . . . . . . 26 VAL HG2 . 6836 1
118 . 1 1 26 26 VAL HG22 H 1 1.001 0.01 . . . . . . 26 VAL HG2 . 6836 1
119 . 1 1 26 26 VAL HG23 H 1 1.001 0.01 . . . . . . 26 VAL HG2 . 6836 1
120 . 1 1 26 26 VAL CA C 13 67.464 0.02 . . . . . . 26 VAL CA . 6836 1
121 . 1 1 26 26 VAL N N 15 121.330 0.02 . . . . . . 26 VAL N . 6836 1
122 . 1 1 27 27 HIS H H 1 7.851 0.01 . . . . . . 27 HIS H . 6836 1
123 . 1 1 27 27 HIS HA H 1 4.084 0.01 . . . . . . 27 HIS HA . 6836 1
124 . 1 1 27 27 HIS HB2 H 1 3.212 0.01 . . . . . . 27 HIS HB2 . 6836 1
125 . 1 1 27 27 HIS HB3 H 1 3.130 0.01 . . . . . . 27 HIS HB3 . 6836 1
126 . 1 1 27 27 HIS HD2 H 1 7.626 0.01 . . . . . . 27 HIS HD2 . 6836 1
127 . 1 1 27 27 HIS HE1 H 1 6.967 0.01 . . . . . . 27 HIS HE1 . 6836 1
128 . 1 1 27 27 HIS CA C 13 60.285 0.02 . . . . . . 27 HIS CA . 6836 1
129 . 1 1 27 27 HIS CB C 13 29.680 0.02 . . . . . . 27 HIS CB . 6836 1
130 . 1 1 27 27 HIS N N 15 119.890 0.02 . . . . . . 27 HIS N . 6836 1
131 . 1 1 28 28 ALA H H 1 7.635 0.01 . . . . . . 28 ALA H . 6836 1
132 . 1 1 28 28 ALA HA H 1 4.189 0.01 . . . . . . 28 ALA HA . 6836 1
133 . 1 1 28 28 ALA HB1 H 1 1.371 0.01 . . . . . . 28 ALA HB . 6836 1
134 . 1 1 28 28 ALA HB2 H 1 1.371 0.01 . . . . . . 28 ALA HB . 6836 1
135 . 1 1 28 28 ALA HB3 H 1 1.371 0.01 . . . . . . 28 ALA HB . 6836 1
136 . 1 1 28 28 ALA CA C 13 54.870 0.02 . . . . . . 28 ALA CA . 6836 1
137 . 1 1 28 28 ALA CB C 13 17.590 0.02 . . . . . . 28 ALA CB . 6836 1
138 . 1 1 28 28 ALA N N 15 122.780 0.02 . . . . . . 28 ALA N . 6836 1
139 . 1 1 29 29 PHE H H 1 8.006 0.01 . . . . . . 29 PHE H . 6836 1
140 . 1 1 29 29 PHE HA H 1 3.783 0.01 . . . . . . 29 PHE HA . 6836 1
141 . 1 1 29 29 PHE HB2 H 1 2.990 0.01 . . . . . . 29 PHE HB2 . 6836 1
142 . 1 1 29 29 PHE HB3 H 1 2.719 0.01 . . . . . . 29 PHE HB3 . 6836 1
143 . 1 1 29 29 PHE HD1 H 1 7.001 0.01 . . . . . . 29 PHE HD . 6836 1
144 . 1 1 29 29 PHE HD2 H 1 7.001 0.01 . . . . . . 29 PHE HD . 6836 1
145 . 1 1 29 29 PHE HE1 H 1 6.796 0.01 . . . . . . 29 PHE HE1 . 6836 1
146 . 1 1 29 29 PHE HE2 H 1 6.718 0.01 . . . . . . 29 PHE HE2 . 6836 1
147 . 1 1 29 29 PHE CA C 13 63.760 0.02 . . . . . . 29 PHE CA . 6836 1
148 . 1 1 29 29 PHE N N 15 117.960 0.02 . . . . . . 29 PHE N . 6836 1
149 . 1 1 30 30 LYS H H 1 8.351 0.01 . . . . . . 30 LYS H . 6836 1
150 . 1 1 30 30 LYS HA H 1 3.836 0.01 . . . . . . 30 LYS HA . 6836 1
151 . 1 1 30 30 LYS CA C 13 60.520 0.02 . . . . . . 30 LYS CA . 6836 1
152 . 1 1 30 30 LYS N N 15 120.370 0.02 . . . . . . 30 LYS N . 6836 1
153 . 1 1 31 31 GLU H H 1 8.279 0.01 . . . . . . 31 GLU H . 6836 1
154 . 1 1 31 31 GLU HA H 1 3.848 0.01 . . . . . . 31 GLU HA . 6836 1
155 . 1 1 31 31 GLU HB2 H 1 2.072 0.01 . . . . . . 31 GLU HB2 . 6836 1
156 . 1 1 31 31 GLU HB3 H 1 2.208 0.01 . . . . . . 31 GLU HB3 . 6836 1
157 . 1 1 31 31 GLU CA C 13 58.723 0.02 . . . . . . 31 GLU CA . 6836 1
158 . 1 1 31 31 GLU CB C 13 29.800 0.02 . . . . . . 31 GLU CB . 6836 1
159 . 1 1 31 31 GLU N N 15 119.890 0.02 . . . . . . 31 GLU N . 6836 1
160 . 1 1 32 32 GLN H H 1 7.738 0.01 . . . . . . 32 GLN H . 6836 1
161 . 1 1 32 32 GLN HA H 1 3.922 0.01 . . . . . . 32 GLN HA . 6836 1
162 . 1 1 32 32 GLN HB2 H 1 2.229 0.01 . . . . . . 32 GLN HB2 . 6836 1
163 . 1 1 32 32 GLN HB3 H 1 2.170 0.01 . . . . . . 32 GLN HB3 . 6836 1
164 . 1 1 32 32 GLN HG3 H 1 1.827 0.01 . . . . . . 32 GLN HG3 . 6836 1
165 . 1 1 32 32 GLN HE21 H 1 7.333 0.01 . . . . . . 32 GLN HE21 . 6836 1
166 . 1 1 32 32 GLN HE22 H 1 6.694 0.01 . . . . . . 32 GLN HE22 . 6836 1
167 . 1 1 32 32 GLN CA C 13 57.882 0.02 . . . . . . 32 GLN CA . 6836 1
168 . 1 1 32 32 GLN N N 15 117.480 0.02 . . . . . . 32 GLN N . 6836 1
169 . 1 1 32 32 GLN NE2 N 15 113.620 0.02 . . . . . . 32 GLN NE2 . 6836 1
170 . 1 1 33 33 LEU H H 1 8.112 0.01 . . . . . . 33 LEU H . 6836 1
171 . 1 1 33 33 LEU HA H 1 4.203 0.01 . . . . . . 33 LEU HA . 6836 1
172 . 1 1 33 33 LEU HG H 1 1.527 0.01 . . . . . . 33 LEU HG . 6836 1
173 . 1 1 33 33 LEU HD11 H 1 0.587 0.01 . . . . . . 33 LEU HD1 . 6836 1
174 . 1 1 33 33 LEU HD12 H 1 0.587 0.01 . . . . . . 33 LEU HD1 . 6836 1
175 . 1 1 33 33 LEU HD13 H 1 0.587 0.01 . . . . . . 33 LEU HD1 . 6836 1
176 . 1 1 33 33 LEU HD21 H 1 0.500 0.01 . . . . . . 33 LEU HD2 . 6836 1
177 . 1 1 33 33 LEU HD22 H 1 0.500 0.01 . . . . . . 33 LEU HD2 . 6836 1
178 . 1 1 33 33 LEU HD23 H 1 0.500 0.01 . . . . . . 33 LEU HD2 . 6836 1
179 . 1 1 33 33 LEU CA C 13 54.698 0.02 . . . . . . 33 LEU CA . 6836 1
180 . 1 1 33 33 LEU N N 15 117.960 0.02 . . . . . . 33 LEU N . 6836 1
181 . 1 1 34 34 LYS H H 1 7.913 0.01 . . . . . . 34 LYS H . 6836 1
182 . 1 1 34 34 LYS HA H 1 3.808 0.01 . . . . . . 34 LYS HA . 6836 1
183 . 1 1 34 34 LYS HG2 H 1 1.600 0.01 . . . . . . 34 LYS HG2 . 6836 1
184 . 1 1 34 34 LYS HG3 H 1 1.607 0.01 . . . . . . 34 LYS HG3 . 6836 1
185 . 1 1 34 34 LYS HE2 H 1 2.935 0.01 . . . . . . 34 LYS HE2 . 6836 1
186 . 1 1 34 34 LYS CA C 13 56.542 0.02 . . . . . . 34 LYS CA . 6836 1
187 . 1 1 34 34 LYS CB C 13 28.460 0.02 . . . . . . 34 LYS CB . 6836 1
188 . 1 1 34 34 LYS N N 15 116.990 0.02 . . . . . . 34 LYS N . 6836 1
189 . 1 1 35 35 ILE H H 1 7.064 0.01 . . . . . . 35 ILE H . 6836 1
190 . 1 1 35 35 ILE HA H 1 4.602 0.01 . . . . . . 35 ILE HA . 6836 1
191 . 1 1 35 35 ILE HB H 1 2.006 0.01 . . . . . . 35 ILE HB . 6836 1
192 . 1 1 35 35 ILE HG12 H 1 1.201 0.01 . . . . . . 35 ILE HG12 . 6836 1
193 . 1 1 35 35 ILE HG13 H 1 1.082 0.01 . . . . . . 35 ILE HG13 . 6836 1
194 . 1 1 35 35 ILE HG21 H 1 0.778 0.01 . . . . . . 35 ILE HG2 . 6836 1
195 . 1 1 35 35 ILE HG22 H 1 0.778 0.01 . . . . . . 35 ILE HG2 . 6836 1
196 . 1 1 35 35 ILE HG23 H 1 0.778 0.01 . . . . . . 35 ILE HG2 . 6836 1
197 . 1 1 35 35 ILE HD11 H 1 0.688 0.01 . . . . . . 35 ILE HD1 . 6836 1
198 . 1 1 35 35 ILE HD12 H 1 0.688 0.01 . . . . . . 35 ILE HD1 . 6836 1
199 . 1 1 35 35 ILE HD13 H 1 0.688 0.01 . . . . . . 35 ILE HD1 . 6836 1
200 . 1 1 35 35 ILE CA C 13 59.088 0.02 . . . . . . 35 ILE CA . 6836 1
201 . 1 1 35 35 ILE N N 15 111.210 0.02 . . . . . . 35 ILE N . 6836 1
202 . 1 1 36 36 ASP H H 1 8.506 0.01 . . . . . . 36 ASP H . 6836 1
203 . 1 1 36 36 ASP HA H 1 4.785 0.01 . . . . . . 36 ASP HA . 6836 1
204 . 1 1 36 36 ASP HB2 H 1 2.361 0.01 . . . . . . 36 ASP HB2 . 6836 1
205 . 1 1 36 36 ASP HB3 H 1 2.689 0.01 . . . . . . 36 ASP HB3 . 6836 1
206 . 1 1 36 36 ASP CA C 13 50.619 0.02 . . . . . . 36 ASP CA . 6836 1
207 . 1 1 36 36 ASP CB C 13 43.150 0.02 . . . . . . 36 ASP CB . 6836 1
208 . 1 1 36 36 ASP N N 15 121.330 0.02 . . . . . . 36 ASP N . 6836 1
209 . 1 1 37 37 ILE H H 1 9.075 0.01 . . . . . . 37 ILE H . 6836 1
210 . 1 1 37 37 ILE HA H 1 3.580 0.01 . . . . . . 37 ILE HA . 6836 1
211 . 1 1 37 37 ILE HB H 1 1.671 0.01 . . . . . . 37 ILE HB . 6836 1
212 . 1 1 37 37 ILE HG12 H 1 0.937 0.01 . . . . . . 37 ILE HG12 . 6836 1
213 . 1 1 37 37 ILE HG13 H 1 1.487 0.01 . . . . . . 37 ILE HG13 . 6836 1
214 . 1 1 37 37 ILE CA C 13 62.768 0.02 . . . . . . 37 ILE CA . 6836 1
215 . 1 1 37 37 ILE CB C 13 37.080 0.02 . . . . . . 37 ILE CB . 6836 1
216 . 1 1 37 37 ILE N N 15 121.330 0.02 . . . . . . 37 ILE N . 6836 1
217 . 1 1 38 38 GLY H H 1 8.934 0.01 . . . . . . 38 GLY H . 6836 1
218 . 1 1 38 38 GLY HA2 H 1 3.695 0.01 . . . . . . 38 GLY HA2 . 6836 1
219 . 1 1 38 38 GLY HA3 H 1 4.311 0.01 . . . . . . 38 GLY HA3 . 6836 1
220 . 1 1 38 38 GLY CA C 13 45.103 0.02 . . . . . . 38 GLY CA . 6836 1
221 . 1 1 38 38 GLY N N 15 118.920 0.02 . . . . . . 38 GLY N . 6836 1
222 . 1 1 39 39 ASP H H 1 7.588 0.01 . . . . . . 39 ASP H . 6836 1
223 . 1 1 39 39 ASP HA H 1 4.903 0.01 . . . . . . 39 ASP HA . 6836 1
224 . 1 1 39 39 ASP HB2 H 1 2.939 0.01 . . . . . . 39 ASP HB2 . 6836 1
225 . 1 1 39 39 ASP HB3 H 1 2.649 0.01 . . . . . . 39 ASP HB3 . 6836 1
226 . 1 1 39 39 ASP CA C 13 52.774 0.02 . . . . . . 39 ASP CA . 6836 1
227 . 1 1 39 39 ASP CB C 13 43.230 0.02 . . . . . . 39 ASP CB . 6836 1
228 . 1 1 39 39 ASP N N 15 121.810 0.02 . . . . . . 39 ASP N . 6836 1
229 . 1 1 40 40 VAL H H 1 8.180 0.01 . . . . . . 40 VAL H . 6836 1
230 . 1 1 40 40 VAL HA H 1 4.810 0.01 . . . . . . 40 VAL HA . 6836 1
231 . 1 1 40 40 VAL HB H 1 1.690 0.01 . . . . . . 40 VAL HB . 6836 1
232 . 1 1 40 40 VAL HG11 H 1 0.727 0.01 . . . . . . 40 VAL HG1 . 6836 1
233 . 1 1 40 40 VAL HG12 H 1 0.727 0.01 . . . . . . 40 VAL HG1 . 6836 1
234 . 1 1 40 40 VAL HG13 H 1 0.727 0.01 . . . . . . 40 VAL HG1 . 6836 1
235 . 1 1 40 40 VAL HG21 H 1 0.873 0.01 . . . . . . 40 VAL HG2 . 6836 1
236 . 1 1 40 40 VAL HG22 H 1 0.873 0.01 . . . . . . 40 VAL HG2 . 6836 1
237 . 1 1 40 40 VAL HG23 H 1 0.873 0.01 . . . . . . 40 VAL HG2 . 6836 1
238 . 1 1 40 40 VAL CA C 13 59.322 0.02 . . . . . . 40 VAL CA . 6836 1
239 . 1 1 40 40 VAL CB C 13 34.350 0.02 . . . . . . 40 VAL CB . 6836 1
240 . 1 1 40 40 VAL CG2 C 13 20.400 0.02 . . . . . . 40 VAL CG2 . 6836 1
241 . 1 1 40 40 VAL N N 15 119.400 0.02 . . . . . . 40 VAL N . 6836 1
242 . 1 1 41 41 THR H H 1 8.894 0.01 . . . . . . 41 THR H . 6836 1
243 . 1 1 41 41 THR HA H 1 4.273 0.01 . . . . . . 41 THR HA . 6836 1
244 . 1 1 41 41 THR HB H 1 3.579 0.01 . . . . . . 41 THR HB . 6836 1
245 . 1 1 41 41 THR CA C 13 61.573 0.02 . . . . . . 41 THR CA . 6836 1
246 . 1 1 41 41 THR N N 15 119.400 0.02 . . . . . . 41 THR N . 6836 1
247 . 1 1 42 42 PRO HA H 1 6.200 0.01 . . . . . . 42 PRO HA . 6836 1
248 . 1 1 42 42 PRO C C 13 175.832 0.02 . . . . . . 42 PRO C . 6836 1
249 . 1 1 42 42 PRO CA C 13 65.530 0.02 . . . . . . 42 PRO CA . 6836 1
250 . 1 1 42 42 PRO CB C 13 31.130 0.02 . . . . . . 42 PRO CB . 6836 1
251 . 1 1 43 43 ASP H H 1 7.617 0.01 . . . . . . 43 ASP H . 6836 1
252 . 1 1 43 43 ASP HA H 1 4.422 0.01 . . . . . . 43 ASP HA . 6836 1
253 . 1 1 43 43 ASP C C 13 176.660 0.02 . . . . . . 43 ASP C . 6836 1
254 . 1 1 43 43 ASP CA C 13 52.930 0.02 . . . . . . 43 ASP CA . 6836 1
255 . 1 1 43 43 ASP CB C 13 40.360 0.02 . . . . . . 43 ASP CB . 6836 1
256 . 1 1 43 43 ASP N N 15 114.580 0.02 . . . . . . 43 ASP N . 6836 1
257 . 1 1 44 44 GLY H H 1 8.610 0.01 . . . . . . 44 GLY H . 6836 1
258 . 1 1 44 44 GLY HA2 H 1 3.990 0.01 . . . . . . 44 GLY HA2 . 6836 1
259 . 1 1 44 44 GLY HA3 H 1 3.532 0.01 . . . . . . 44 GLY HA3 . 6836 1
260 . 1 1 44 44 GLY CA C 13 45.010 0.02 . . . . . . 44 GLY CA . 6836 1
261 . 1 1 44 44 GLY N N 15 111.210 0.02 . . . . . . 44 GLY N . 6836 1
262 . 1 1 45 45 ARG H H 1 8.042 0.01 . . . . . . 45 ARG H . 6836 1
263 . 1 1 45 45 ARG HA H 1 4.716 0.01 . . . . . . 45 ARG HA . 6836 1
264 . 1 1 45 45 ARG HB2 H 1 1.589 0.01 . . . . . . 45 ARG HB2 . 6836 1
265 . 1 1 45 45 ARG HB3 H 1 1.494 0.01 . . . . . . 45 ARG HB3 . 6836 1
266 . 1 1 45 45 ARG C C 13 173.860 0.02 . . . . . . 45 ARG C . 6836 1
267 . 1 1 45 45 ARG CA C 13 60.770 0.02 . . . . . . 45 ARG CA . 6836 1
268 . 1 1 45 45 ARG CB C 13 31.620 0.02 . . . . . . 45 ARG CB . 6836 1
269 . 1 1 45 45 ARG N N 15 122.780 0.02 . . . . . . 45 ARG N . 6836 1
270 . 1 1 46 46 PHE H H 1 7.898 0.01 . . . . . . 46 PHE H . 6836 1
271 . 1 1 46 46 PHE HA H 1 5.435 0.01 . . . . . . 46 PHE HA . 6836 1
272 . 1 1 46 46 PHE HB2 H 1 2.732 0.01 . . . . . . 46 PHE HB2 . 6836 1
273 . 1 1 46 46 PHE HB3 H 1 2.942 0.01 . . . . . . 46 PHE HB3 . 6836 1
274 . 1 1 46 46 PHE HD1 H 1 7.540 0.01 . . . . . . 46 PHE HD1 . 6836 1
275 . 1 1 46 46 PHE HD2 H 1 7.350 0.01 . . . . . . 46 PHE HD2 . 6836 1
276 . 1 1 46 46 PHE HE1 H 1 7.110 0.01 . . . . . . 46 PHE HE1 . 6836 1
277 . 1 1 46 46 PHE HE2 H 1 7.030 0.01 . . . . . . 46 PHE HE2 . 6836 1
278 . 1 1 46 46 PHE HZ H 1 6.661 0.01 . . . . . . 46 PHE HZ . 6836 1
279 . 1 1 46 46 PHE C C 13 177.200 0.02 . . . . . . 46 PHE C . 6836 1
280 . 1 1 46 46 PHE CA C 13 56.130 0.02 . . . . . . 46 PHE CA . 6836 1
281 . 1 1 46 46 PHE CB C 13 44.700 0.02 . . . . . . 46 PHE CB . 6836 1
282 . 1 1 46 46 PHE N N 15 112.660 0.02 . . . . . . 46 PHE N . 6836 1
283 . 1 1 47 47 SER H H 1 7.350 0.01 . . . . . . 47 SER H . 6836 1
284 . 1 1 47 47 SER HA H 1 4.908 0.01 . . . . . . 47 SER HA . 6836 1
285 . 1 1 47 47 SER CA C 13 56.160 0.02 . . . . . . 47 SER CA . 6836 1
286 . 1 1 47 47 SER N N 15 112.660 0.02 . . . . . . 47 SER N . 6836 1
287 . 1 1 48 48 ILE H H 1 8.130 0.01 . . . . . . 48 ILE H . 6836 1
288 . 1 1 48 48 ILE HA H 1 5.060 0.01 . . . . . . 48 ILE HA . 6836 1
289 . 1 1 48 48 ILE HG21 H 1 1.259 0.01 . . . . . . 48 ILE HG2 . 6836 1
290 . 1 1 48 48 ILE HG22 H 1 1.259 0.01 . . . . . . 48 ILE HG2 . 6836 1
291 . 1 1 48 48 ILE HG23 H 1 1.259 0.01 . . . . . . 48 ILE HG2 . 6836 1
292 . 1 1 48 48 ILE HD11 H 1 0.540 0.01 . . . . . . 48 ILE HD1 . 6836 1
293 . 1 1 48 48 ILE HD12 H 1 0.540 0.01 . . . . . . 48 ILE HD1 . 6836 1
294 . 1 1 48 48 ILE HD13 H 1 0.540 0.01 . . . . . . 48 ILE HD1 . 6836 1
295 . 1 1 48 48 ILE N N 15 119.400 0.02 . . . . . . 48 ILE N . 6836 1
296 . 1 1 49 49 ASP H H 1 8.737 0.01 . . . . . . 49 ASP H . 6836 1
297 . 1 1 49 49 ASP HA H 1 4.950 0.01 . . . . . . 49 ASP HA . 6836 1
298 . 1 1 49 49 ASP CA C 13 52.620 0.02 . . . . . . 49 ASP CA . 6836 1
299 . 1 1 49 49 ASP CB C 13 44.790 0.02 . . . . . . 49 ASP CB . 6836 1
300 . 1 1 49 49 ASP N N 15 127.596 0.02 . . . . . . 49 ASP N . 6836 1
301 . 1 1 50 50 THR H H 1 8.530 0.01 . . . . . . 50 THR H . 6836 1
302 . 1 1 50 50 THR HA H 1 5.293 0.01 . . . . . . 50 THR HA . 6836 1
303 . 1 1 50 50 THR HB H 1 4.744 0.01 . . . . . . 50 THR HB . 6836 1
304 . 1 1 50 50 THR HG21 H 1 0.940 0.01 . . . . . . 50 THR HG2 . 6836 1
305 . 1 1 50 50 THR HG22 H 1 0.940 0.01 . . . . . . 50 THR HG2 . 6836 1
306 . 1 1 50 50 THR HG23 H 1 0.940 0.01 . . . . . . 50 THR HG2 . 6836 1
307 . 1 1 50 50 THR CA C 13 58.820 0.02 . . . . . . 50 THR CA . 6836 1
308 . 1 1 50 50 THR N N 15 109.766 0.02 . . . . . . 50 THR N . 6836 1
309 . 1 1 51 51 LEU H H 1 7.763 0.01 . . . . . . 51 LEU H . 6836 1
310 . 1 1 51 51 LEU HA H 1 4.891 0.01 . . . . . . 51 LEU HA . 6836 1
311 . 1 1 51 51 LEU CA C 13 58.020 0.02 . . . . . . 51 LEU CA . 6836 1
312 . 1 1 51 51 LEU N N 15 121.813 0.02 . . . . . . 51 LEU N . 6836 1
313 . 1 1 63 63 VAL H H 1 8.909 0.01 . . . . . . 63 VAL H . 6836 1
314 . 1 1 63 63 VAL HA H 1 4.811 0.01 . . . . . . 63 VAL HA . 6836 1
315 . 1 1 63 63 VAL HG11 H 1 0.770 0.01 . . . . . . 63 VAL HG1 . 6836 1
316 . 1 1 63 63 VAL HG12 H 1 0.770 0.01 . . . . . . 63 VAL HG1 . 6836 1
317 . 1 1 63 63 VAL HG13 H 1 0.770 0.01 . . . . . . 63 VAL HG1 . 6836 1
318 . 1 1 63 63 VAL CA C 13 60.160 0.02 . . . . . . 63 VAL CA . 6836 1
319 . 1 1 63 63 VAL N N 15 129.010 0.02 . . . . . . 63 VAL N . 6836 1
320 . 1 1 64 64 MET H H 1 9.346 0.01 . . . . . . 64 MET H . 6836 1
321 . 1 1 64 64 MET HA H 1 5.732 0.01 . . . . . . 64 MET HA . 6836 1
322 . 1 1 64 64 MET HG2 H 1 2.280 0.01 . . . . . . 64 MET HG2 . 6836 1
323 . 1 1 64 64 MET HG3 H 1 2.121 0.01 . . . . . . 64 MET HG3 . 6836 1
324 . 1 1 64 64 MET HE1 H 1 2.424 0.01 . . . . . . 64 MET HE . 6836 1
325 . 1 1 64 64 MET HE2 H 1 2.424 0.01 . . . . . . 64 MET HE . 6836 1
326 . 1 1 64 64 MET HE3 H 1 2.424 0.01 . . . . . . 64 MET HE . 6836 1
327 . 1 1 64 64 MET C C 13 175.040 0.02 . . . . . . 64 MET C . 6836 1
328 . 1 1 64 64 MET CA C 13 53.777 0.02 . . . . . . 64 MET CA . 6836 1
329 . 1 1 64 64 MET CG C 13 35.520 0.02 . . . . . . 64 MET CG . 6836 1
330 . 1 1 64 64 MET N N 15 126.150 0.02 . . . . . . 64 MET N . 6836 1
331 . 1 1 65 65 VAL H H 1 8.603 0.01 . . . . . . 65 VAL H . 6836 1
332 . 1 1 65 65 VAL HA H 1 4.515 0.01 . . . . . . 65 VAL HA . 6836 1
333 . 1 1 65 65 VAL HB H 1 2.107 0.01 . . . . . . 65 VAL HB . 6836 1
334 . 1 1 65 65 VAL HG11 H 1 0.595 0.01 . . . . . . 65 VAL HG1 . 6836 1
335 . 1 1 65 65 VAL HG12 H 1 0.595 0.01 . . . . . . 65 VAL HG1 . 6836 1
336 . 1 1 65 65 VAL HG13 H 1 0.595 0.01 . . . . . . 65 VAL HG1 . 6836 1
337 . 1 1 65 65 VAL HG21 H 1 0.109 0.01 . . . . . . 65 VAL HG2 . 6836 1
338 . 1 1 65 65 VAL HG22 H 1 0.109 0.01 . . . . . . 65 VAL HG2 . 6836 1
339 . 1 1 65 65 VAL HG23 H 1 0.109 0.01 . . . . . . 65 VAL HG2 . 6836 1
340 . 1 1 65 65 VAL C C 13 177.154 0.02 . . . . . . 65 VAL C . 6836 1
341 . 1 1 65 65 VAL CA C 13 61.866 0.02 . . . . . . 65 VAL CA . 6836 1
342 . 1 1 65 65 VAL CB C 13 31.900 0.02 . . . . . . 65 VAL CB . 6836 1
343 . 1 1 65 65 VAL CG1 C 13 20.030 0.02 . . . . . . 65 VAL CG1 . 6836 1
344 . 1 1 65 65 VAL CG2 C 13 20.650 0.02 . . . . . . 65 VAL CG2 . 6836 1
345 . 1 1 65 65 VAL N N 15 122.780 0.02 . . . . . . 65 VAL N . 6836 1
346 . 1 1 66 66 GLY H H 1 8.828 0.01 . . . . . . 66 GLY H . 6836 1
347 . 1 1 66 66 GLY HA2 H 1 4.101 0.01 . . . . . . 66 GLY HA2 . 6836 1
348 . 1 1 66 66 GLY HA3 H 1 3.600 0.01 . . . . . . 66 GLY HA3 . 6836 1
349 . 1 1 66 66 GLY C C 13 173.530 0.02 . . . . . . 66 GLY C . 6836 1
350 . 1 1 66 66 GLY CA C 13 47.212 0.02 . . . . . . 66 GLY CA . 6836 1
351 . 1 1 66 66 GLY N N 15 117.960 0.02 . . . . . . 66 GLY N . 6836 1
352 . 1 1 67 67 GLU H H 1 9.036 0.01 . . . . . . 67 GLU H . 6836 1
353 . 1 1 67 67 GLU HA H 1 4.254 0.01 . . . . . . 67 GLU HA . 6836 1
354 . 1 1 67 67 GLU C C 13 174.870 0.02 . . . . . . 67 GLU C . 6836 1
355 . 1 1 67 67 GLU CA C 13 56.106 0.02 . . . . . . 67 GLU CA . 6836 1
356 . 1 1 67 67 GLU N N 15 127.600 0.02 . . . . . . 67 GLU N . 6836 1
357 . 1 1 68 68 LYS H H 1 8.070 0.01 . . . . . . 68 LYS H . 6836 1
358 . 1 1 68 68 LYS HA H 1 4.186 0.01 . . . . . . 68 LYS HA . 6836 1
359 . 1 1 68 68 LYS CA C 13 56.692 0.02 . . . . . . 68 LYS CA . 6836 1
360 . 1 1 68 68 LYS N N 15 124.700 0.02 . . . . . . 68 LYS N . 6836 1
361 . 1 1 69 69 VAL H H 1 8.116 0.01 . . . . . . 69 VAL H . 6836 1
362 . 1 1 69 69 VAL HA H 1 4.199 0.01 . . . . . . 69 VAL HA . 6836 1
363 . 1 1 69 69 VAL HB H 1 3.030 0.01 . . . . . . 69 VAL HB . 6836 1
364 . 1 1 69 69 VAL HG11 H 1 1.332 0.01 . . . . . . 69 VAL HG1 . 6836 1
365 . 1 1 69 69 VAL HG12 H 1 1.332 0.01 . . . . . . 69 VAL HG1 . 6836 1
366 . 1 1 69 69 VAL HG13 H 1 1.332 0.01 . . . . . . 69 VAL HG1 . 6836 1
367 . 1 1 69 69 VAL CA C 13 62.479 0.02 . . . . . . 69 VAL CA . 6836 1
368 . 1 1 69 69 VAL N N 15 126.630 0.02 . . . . . . 69 VAL N . 6836 1
369 . 1 1 70 70 TYR H H 1 9.672 0.01 . . . . . . 70 TYR H . 6836 1
370 . 1 1 70 70 TYR HA H 1 4.472 0.01 . . . . . . 70 TYR HA . 6836 1
371 . 1 1 70 70 TYR HB2 H 1 2.917 0.01 . . . . . . 70 TYR HB2 . 6836 1
372 . 1 1 70 70 TYR HB3 H 1 2.843 0.01 . . . . . . 70 TYR HB3 . 6836 1
373 . 1 1 70 70 TYR HD1 H 1 7.119 0.01 . . . . . . 70 TYR HD . 6836 1
374 . 1 1 70 70 TYR HD2 H 1 7.119 0.01 . . . . . . 70 TYR HD . 6836 1
375 . 1 1 70 70 TYR HE1 H 1 6.766 0.01 . . . . . . 70 TYR HE . 6836 1
376 . 1 1 70 70 TYR HE2 H 1 6.766 0.01 . . . . . . 70 TYR HE . 6836 1
377 . 1 1 70 70 TYR C C 13 172.730 0.02 . . . . . . 70 TYR C . 6836 1
378 . 1 1 70 70 TYR CA C 13 57.310 0.02 . . . . . . 70 TYR CA . 6836 1
379 . 1 1 70 70 TYR CB C 13 39.400 0.02 . . . . . . 70 TYR CB . 6836 1
380 . 1 1 70 70 TYR N N 15 130.490 0.02 . . . . . . 70 TYR N . 6836 1
381 . 1 1 71 71 GLY H H 1 8.344 0.01 . . . . . . 71 GLY H . 6836 1
382 . 1 1 71 71 GLY HA2 H 1 3.457 0.01 . . . . . . 71 GLY HA2 . 6836 1
383 . 1 1 71 71 GLY HA3 H 1 4.907 0.01 . . . . . . 71 GLY HA3 . 6836 1
384 . 1 1 71 71 GLY C C 13 172.000 0.02 . . . . . . 71 GLY C . 6836 1
385 . 1 1 71 71 GLY CA C 13 43.490 0.02 . . . . . . 71 GLY CA . 6836 1
386 . 1 1 71 71 GLY N N 15 109.281 0.02 . . . . . . 71 GLY N . 6836 1
387 . 1 1 72 72 ASN H H 1 9.303 0.01 . . . . . . 72 ASN H . 6836 1
388 . 1 1 72 72 ASN HA H 1 3.840 0.01 . . . . . . 72 ASN HA . 6836 1
389 . 1 1 72 72 ASN HB2 H 1 2.801 0.01 . . . . . . 72 ASN HB2 . 6836 1
390 . 1 1 72 72 ASN HB3 H 1 2.638 0.01 . . . . . . 72 ASN HB3 . 6836 1
391 . 1 1 72 72 ASN HD21 H 1 7.264 0.01 . . . . . . 72 ASN HD21 . 6836 1
392 . 1 1 72 72 ASN HD22 H 1 6.596 0.01 . . . . . . 72 ASN HD22 . 6836 1
393 . 1 1 72 72 ASN C C 13 175.000 0.02 . . . . . . 72 ASN C . 6836 1
394 . 1 1 72 72 ASN CA C 13 53.850 0.02 . . . . . . 72 ASN CA . 6836 1
395 . 1 1 72 72 ASN CB C 13 37.690 0.02 . . . . . . 72 ASN CB . 6836 1
396 . 1 1 72 72 ASN N N 15 118.920 0.02 . . . . . . 72 ASN N . 6836 1
397 . 1 1 72 72 ASN ND2 N 15 111.690 0.02 . . . . . . 72 ASN ND2 . 6836 1
398 . 1 1 73 73 VAL H H 1 8.279 0.01 . . . . . . 73 VAL H . 6836 1
399 . 1 1 73 73 VAL HA H 1 3.763 0.01 . . . . . . 73 VAL HA . 6836 1
400 . 1 1 73 73 VAL HB H 1 1.627 0.01 . . . . . . 73 VAL HB . 6836 1
401 . 1 1 73 73 VAL HG11 H 1 0.702 0.01 . . . . . . 73 VAL HG1 . 6836 1
402 . 1 1 73 73 VAL HG12 H 1 0.702 0.01 . . . . . . 73 VAL HG1 . 6836 1
403 . 1 1 73 73 VAL HG13 H 1 0.702 0.01 . . . . . . 73 VAL HG1 . 6836 1
404 . 1 1 73 73 VAL HG21 H 1 0.858 0.01 . . . . . . 73 VAL HG2 . 6836 1
405 . 1 1 73 73 VAL HG22 H 1 0.858 0.01 . . . . . . 73 VAL HG2 . 6836 1
406 . 1 1 73 73 VAL HG23 H 1 0.858 0.01 . . . . . . 73 VAL HG2 . 6836 1
407 . 1 1 73 73 VAL CA C 13 64.958 0.02 . . . . . . 73 VAL CA . 6836 1
408 . 1 1 73 73 VAL CB C 13 31.950 0.02 . . . . . . 73 VAL CB . 6836 1
409 . 1 1 73 73 VAL CG1 C 13 23.420 0.02 . . . . . . 73 VAL CG1 . 6836 1
410 . 1 1 73 73 VAL N N 15 120.850 0.02 . . . . . . 73 VAL N . 6836 1
411 . 1 1 74 74 THR H H 1 6.863 0.01 . . . . . . 74 THR H . 6836 1
412 . 1 1 74 74 THR HA H 1 4.718 0.01 . . . . . . 74 THR HA . 6836 1
413 . 1 1 74 74 THR HB H 1 4.410 0.01 . . . . . . 74 THR HB . 6836 1
414 . 1 1 74 74 THR HG21 H 1 1.180 0.01 . . . . . . 74 THR HG2 . 6836 1
415 . 1 1 74 74 THR HG22 H 1 1.180 0.01 . . . . . . 74 THR HG2 . 6836 1
416 . 1 1 74 74 THR HG23 H 1 1.180 0.01 . . . . . . 74 THR HG2 . 6836 1
417 . 1 1 74 74 THR CA C 13 57.513 0.02 . . . . . . 74 THR CA . 6836 1
418 . 1 1 74 74 THR CB C 13 69.400 0.02 . . . . . . 74 THR CB . 6836 1
419 . 1 1 74 74 THR N N 15 115.070 0.02 . . . . . . 74 THR N . 6836 1
420 . 1 1 75 75 PRO C C 13 173.780 0.02 . . . . . . 75 PRO C . 6836 1
421 . 1 1 75 75 PRO CA C 13 70.880 0.02 . . . . . . 75 PRO CA . 6836 1
422 . 1 1 76 76 GLY H H 1 8.444 0.01 . . . . . . 76 GLY H . 6836 1
423 . 1 1 76 76 GLY HA2 H 1 3.781 0.01 . . . . . . 76 GLY HA2 . 6836 1
424 . 1 1 76 76 GLY HA3 H 1 4.743 0.01 . . . . . . 76 GLY HA3 . 6836 1
425 . 1 1 76 76 GLY CA C 13 46.060 0.02 . . . . . . 76 GLY CA . 6836 1
426 . 1 1 76 76 GLY N N 15 105.290 0.02 . . . . . . 76 GLY N . 6836 1
427 . 1 1 77 77 GLN H H 1 7.690 0.01 . . . . . . 77 GLN H . 6836 1
428 . 1 1 77 77 GLN HA H 1 4.090 0.01 . . . . . . 77 GLN HA . 6836 1
429 . 1 1 77 77 GLN HB2 H 1 2.455 0.01 . . . . . . 77 GLN HB2 . 6836 1
430 . 1 1 77 77 GLN HB3 H 1 2.430 0.01 . . . . . . 77 GLN HB3 . 6836 1
431 . 1 1 77 77 GLN HE21 H 1 7.339 0.01 . . . . . . 77 GLN HE21 . 6836 1
432 . 1 1 77 77 GLN HE22 H 1 7.110 0.01 . . . . . . 77 GLN HE22 . 6836 1
433 . 1 1 77 77 GLN C C 13 176.350 0.02 . . . . . . 77 GLN C . 6836 1
434 . 1 1 77 77 GLN CA C 13 56.010 0.02 . . . . . . 77 GLN CA . 6836 1
435 . 1 1 77 77 GLN CB C 13 29.190 0.02 . . . . . . 77 GLN CB . 6836 1
436 . 1 1 77 77 GLN CG C 13 33.880 0.02 . . . . . . 77 GLN CG . 6836 1
437 . 1 1 77 77 GLN N N 15 120.260 0.02 . . . . . . 77 GLN N . 6836 1
438 . 1 1 77 77 GLN NE2 N 15 112.180 0.02 . . . . . . 77 GLN NE2 . 6836 1
439 . 1 1 78 78 VAL H H 1 7.215 0.01 . . . . . . 78 VAL H . 6836 1
440 . 1 1 78 78 VAL HA H 1 2.805 0.01 . . . . . . 78 VAL HA . 6836 1
441 . 1 1 78 78 VAL HB H 1 1.679 0.01 . . . . . . 78 VAL HB . 6836 1
442 . 1 1 78 78 VAL HG11 H 1 0.381 0.01 . . . . . . 78 VAL HG1 . 6836 1
443 . 1 1 78 78 VAL HG12 H 1 0.381 0.01 . . . . . . 78 VAL HG1 . 6836 1
444 . 1 1 78 78 VAL HG13 H 1 0.381 0.01 . . . . . . 78 VAL HG1 . 6836 1
445 . 1 1 78 78 VAL HG21 H 1 -0.370 0.01 . . . . . . 78 VAL HG2 . 6836 1
446 . 1 1 78 78 VAL HG22 H 1 -0.370 0.01 . . . . . . 78 VAL HG2 . 6836 1
447 . 1 1 78 78 VAL HG23 H 1 -0.370 0.01 . . . . . . 78 VAL HG2 . 6836 1
448 . 1 1 78 78 VAL CA C 13 67.791 0.02 . . . . . . 78 VAL CA . 6836 1
449 . 1 1 78 78 VAL CB C 13 29.730 0.02 . . . . . . 78 VAL CB . 6836 1
450 . 1 1 78 78 VAL CG1 C 13 23.460 0.02 . . . . . . 78 VAL CG1 . 6836 1
451 . 1 1 78 78 VAL CG2 C 13 18.230 0.02 . . . . . . 78 VAL CG2 . 6836 1
452 . 1 1 78 78 VAL N N 15 122.290 0.02 . . . . . . 78 VAL N . 6836 1
453 . 1 1 79 79 LYS H H 1 7.992 0.01 . . . . . . 79 LYS H . 6836 1
454 . 1 1 79 79 LYS HA H 1 3.796 0.01 . . . . . . 79 LYS HA . 6836 1
455 . 1 1 79 79 LYS C C 13 177.783 0.02 . . . . . . 79 LYS C . 6836 1
456 . 1 1 79 79 LYS CA C 13 59.628 0.02 . . . . . . 79 LYS CA . 6836 1
457 . 1 1 79 79 LYS CB C 13 32.080 0.02 . . . . . . 79 LYS CB . 6836 1
458 . 1 1 79 79 LYS N N 15 118.440 0.02 . . . . . . 79 LYS N . 6836 1
459 . 1 1 80 80 LYS H H 1 7.071 0.01 . . . . . . 80 LYS H . 6836 1
460 . 1 1 80 80 LYS HA H 1 3.987 0.01 . . . . . . 80 LYS HA . 6836 1
461 . 1 1 80 80 LYS HB2 H 1 1.909 0.01 . . . . . . 80 LYS HB2 . 6836 1
462 . 1 1 80 80 LYS HB3 H 1 1.838 0.01 . . . . . . 80 LYS HB3 . 6836 1
463 . 1 1 80 80 LYS HG2 H 1 1.374 0.01 . . . . . . 80 LYS HG2 . 6836 1
464 . 1 1 80 80 LYS HG3 H 1 1.431 0.01 . . . . . . 80 LYS HG3 . 6836 1
465 . 1 1 80 80 LYS HD2 H 1 1.648 0.01 . . . . . . 80 LYS HD2 . 6836 1
466 . 1 1 80 80 LYS HD3 H 1 1.587 0.01 . . . . . . 80 LYS HD3 . 6836 1
467 . 1 1 80 80 LYS C C 13 178.210 0.02 . . . . . . 80 LYS C . 6836 1
468 . 1 1 80 80 LYS CA C 13 58.469 0.02 . . . . . . 80 LYS CA . 6836 1
469 . 1 1 80 80 LYS CB C 13 32.280 0.02 . . . . . . 80 LYS CB . 6836 1
470 . 1 1 80 80 LYS CG C 13 29.090 0.02 . . . . . . 80 LYS CG . 6836 1
471 . 1 1 80 80 LYS CD C 13 25.000 0.02 . . . . . . 80 LYS CD . 6836 1
472 . 1 1 80 80 LYS CE C 13 41.960 0.02 . . . . . . 80 LYS CE . 6836 1
473 . 1 1 80 80 LYS N N 15 121.330 0.02 . . . . . . 80 LYS N . 6836 1
474 . 1 1 81 81 ILE H H 1 7.907 0.01 . . . . . . 81 ILE H . 6836 1
475 . 1 1 81 81 ILE HA H 1 3.600 0.01 . . . . . . 81 ILE HA . 6836 1
476 . 1 1 81 81 ILE HB H 1 1.594 0.01 . . . . . . 81 ILE HB . 6836 1
477 . 1 1 81 81 ILE HG21 H 1 0.456 0.01 . . . . . . 81 ILE HG2 . 6836 1
478 . 1 1 81 81 ILE HG22 H 1 0.456 0.01 . . . . . . 81 ILE HG2 . 6836 1
479 . 1 1 81 81 ILE HG23 H 1 0.456 0.01 . . . . . . 81 ILE HG2 . 6836 1
480 . 1 1 81 81 ILE HD11 H 1 0.365 0.01 . . . . . . 81 ILE HD1 . 6836 1
481 . 1 1 81 81 ILE HD12 H 1 0.365 0.01 . . . . . . 81 ILE HD1 . 6836 1
482 . 1 1 81 81 ILE HD13 H 1 0.365 0.01 . . . . . . 81 ILE HD1 . 6836 1
483 . 1 1 81 81 ILE C C 13 177.120 0.02 . . . . . . 81 ILE C . 6836 1
484 . 1 1 81 81 ILE CA C 13 65.593 0.02 . . . . . . 81 ILE CA . 6836 1
485 . 1 1 81 81 ILE CB C 13 37.770 0.02 . . . . . . 81 ILE CB . 6836 1
486 . 1 1 81 81 ILE CG2 C 13 15.320 0.02 . . . . . . 81 ILE CG2 . 6836 1
487 . 1 1 81 81 ILE CD1 C 13 13.420 0.02 . . . . . . 81 ILE CD1 . 6836 1
488 . 1 1 81 81 ILE N N 15 123.740 0.02 . . . . . . 81 ILE N . 6836 1
489 . 1 1 82 82 LEU H H 1 8.088 0.01 . . . . . . 82 LEU H . 6836 1
490 . 1 1 82 82 LEU HA H 1 3.960 0.01 . . . . . . 82 LEU HA . 6836 1
491 . 1 1 82 82 LEU HB2 H 1 1.701 0.01 . . . . . . 82 LEU HB2 . 6836 1
492 . 1 1 82 82 LEU HB3 H 1 1.657 0.01 . . . . . . 82 LEU HB3 . 6836 1
493 . 1 1 82 82 LEU HG H 1 1.609 0.01 . . . . . . 82 LEU HG . 6836 1
494 . 1 1 82 82 LEU HD11 H 1 1.210 0.01 . . . . . . 82 LEU HD1 . 6836 1
495 . 1 1 82 82 LEU HD12 H 1 1.210 0.01 . . . . . . 82 LEU HD1 . 6836 1
496 . 1 1 82 82 LEU HD13 H 1 1.210 0.01 . . . . . . 82 LEU HD1 . 6836 1
497 . 1 1 82 82 LEU HD21 H 1 1.158 0.01 . . . . . . 82 LEU HD2 . 6836 1
498 . 1 1 82 82 LEU HD22 H 1 1.158 0.01 . . . . . . 82 LEU HD2 . 6836 1
499 . 1 1 82 82 LEU HD23 H 1 1.158 0.01 . . . . . . 82 LEU HD2 . 6836 1
500 . 1 1 82 82 LEU C C 13 179.060 0.02 . . . . . . 82 LEU C . 6836 1
501 . 1 1 82 82 LEU CA C 13 57.655 0.02 . . . . . . 82 LEU CA . 6836 1
502 . 1 1 82 82 LEU N N 15 116.990 0.02 . . . . . . 82 LEU N . 6836 1
503 . 1 1 83 83 ALA H H 1 7.781 0.01 . . . . . . 83 ALA H . 6836 1
504 . 1 1 83 83 ALA HA H 1 4.017 0.01 . . . . . . 83 ALA HA . 6836 1
505 . 1 1 83 83 ALA HB1 H 1 1.427 0.01 . . . . . . 83 ALA HB . 6836 1
506 . 1 1 83 83 ALA HB2 H 1 1.427 0.01 . . . . . . 83 ALA HB . 6836 1
507 . 1 1 83 83 ALA HB3 H 1 1.427 0.01 . . . . . . 83 ALA HB . 6836 1
508 . 1 1 83 83 ALA CA C 13 54.463 0.02 . . . . . . 83 ALA CA . 6836 1
509 . 1 1 83 83 ALA CB C 13 17.530 0.02 . . . . . . 83 ALA CB . 6836 1
510 . 1 1 83 83 ALA N N 15 122.290 0.02 . . . . . . 83 ALA N . 6836 1
511 . 1 1 84 84 GLU H H 1 7.475 0.01 . . . . . . 84 GLU H . 6836 1
512 . 1 1 84 84 GLU HA H 1 3.825 0.01 . . . . . . 84 GLU HA . 6836 1
513 . 1 1 84 84 GLU HB2 H 1 1.947 0.01 . . . . . . 84 GLU HB2 . 6836 1
514 . 1 1 84 84 GLU HB3 H 1 1.799 0.01 . . . . . . 84 GLU HB3 . 6836 1
515 . 1 1 84 84 GLU HG2 H 1 2.296 0.01 . . . . . . 84 GLU HG2 . 6836 1
516 . 1 1 84 84 GLU HG3 H 1 2.240 0.01 . . . . . . 84 GLU HG3 . 6836 1
517 . 1 1 84 84 GLU C C 13 176.970 0.02 . . . . . . 84 GLU C . 6836 1
518 . 1 1 84 84 GLU CA C 13 58.157 0.02 . . . . . . 84 GLU CA . 6836 1
519 . 1 1 84 84 GLU CB C 13 29.007 0.02 . . . . . . 84 GLU CB . 6836 1
520 . 1 1 84 84 GLU N N 15 119.400 0.02 . . . . . . 84 GLU N . 6836 1
521 . 1 1 85 85 TYR H H 1 7.320 0.01 . . . . . . 85 TYR H . 6836 1
522 . 1 1 85 85 TYR HA H 1 4.058 0.01 . . . . . . 85 TYR HA . 6836 1
523 . 1 1 85 85 TYR HB2 H 1 2.804 0.01 . . . . . . 85 TYR HB2 . 6836 1
524 . 1 1 85 85 TYR HB3 H 1 2.625 0.01 . . . . . . 85 TYR HB3 . 6836 1
525 . 1 1 85 85 TYR HD1 H 1 6.573 0.01 . . . . . . 85 TYR HD1 . 6836 1
526 . 1 1 85 85 TYR HD2 H 1 6.650 0.01 . . . . . . 85 TYR HD2 . 6836 1
527 . 1 1 85 85 TYR HE1 H 1 7.122 0.01 . . . . . . 85 TYR HE1 . 6836 1
528 . 1 1 85 85 TYR HE2 H 1 7.040 0.01 . . . . . . 85 TYR HE2 . 6836 1
529 . 1 1 85 85 TYR CA C 13 57.780 0.02 . . . . . . 85 TYR CA . 6836 1
530 . 1 1 85 85 TYR N N 15 118.440 0.02 . . . . . . 85 TYR N . 6836 1
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