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 6790
_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 .
_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 1H15N_HSQC 1 $CN-18-ACP isotropic 6790 1
2 1H13C_HSQC 1 $CN-18-ACP isotropic 6790 1
4 TOCSY-15N_HSQC 2 $N-18-ACP-2mM isotropic 6790 1
5 NOESY-15N_HSQC 2 $N-18-ACP-2mM isotropic 6790 1
3 HNCO 1 $CN-18-ACP isotropic 6790 1
6 HNCACB 1 $CN-18-ACP isotropic 6790 1
7 HNCA 1 $CN-18-ACP isotropic 6790 1
8 CBCA(CO)NH 1 $CN-18-ACP isotropic 6790 1
9 HCAN 1 $CN-18-ACP isotropic 6790 1
10 HCA(CO)N 1 $CN-18-ACP isotropic 6790 1
11 H(CCO)NH 1 $CN-18-ACP isotropic 6790 1
12 C(CO)NH 1 $CN-18-ACP isotropic 6790 1
13 HCCH_TOCSY 1 $CN-18-ACP isotropic 6790 1
14 NOESY-13C_HSQC 1 $CN-18-ACP isotropic 6790 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 $SPARKY . . 6790 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 1 1 ALA HA H 1 4.397 0.019 . 1 . . . . 1 ALA HA . 6790 1
2 . 1 1 1 1 ALA HB1 H 1 1.373 0.022 . 1 . . . . 1 ALA QB . 6790 1
3 . 1 1 1 1 ALA HB2 H 1 1.373 0.022 . 1 . . . . 1 ALA QB . 6790 1
4 . 1 1 1 1 ALA HB3 H 1 1.373 0.022 . 1 . . . . 1 ALA QB . 6790 1
5 . 1 1 1 1 ALA C C 13 174.179 0.100 . 1 . . . . 1 ALA C . 6790 1
6 . 1 1 1 1 ALA CA C 13 51.031 0.133 . 1 . . . . 1 ALA CA . 6790 1
7 . 1 1 1 1 ALA CB C 13 20.365 0.067 . 1 . . . . 1 ALA CB . 6790 1
8 . 1 1 1 1 ALA N N 15 98.053 0.080 . 1 . . . . 1 ALA N . 6790 1
9 . 1 1 2 2 LYS H H 1 10.818 0.013 . 1 . . . . 2 LYS H . 6790 1
10 . 1 1 2 2 LYS HA H 1 4.329 0.011 . 1 . . . . 2 LYS HA . 6790 1
11 . 1 1 2 2 LYS HB2 H 1 2.155 0.010 . 1 . . . . 2 LYS HB2 . 6790 1
12 . 1 1 2 2 LYS HB3 H 1 1.930 0.010 . 1 . . . . 2 LYS HB3 . 6790 1
13 . 1 1 2 2 LYS HG2 H 1 1.657 0.010 . 2 . . . . 2 LYS HG2 . 6790 1
14 . 1 1 2 2 LYS HG3 H 1 1.657 0.010 . 2 . . . . 2 LYS HG3 . 6790 1
15 . 1 1 2 2 LYS HE2 H 1 2.980 0.010 . 2 . . . . 2 LYS HE2 . 6790 1
16 . 1 1 2 2 LYS HE3 H 1 2.980 0.010 . 2 . . . . 2 LYS HE3 . 6790 1
17 . 1 1 2 2 LYS C C 13 177.943 0.100 . 1 . . . . 2 LYS C . 6790 1
18 . 1 1 2 2 LYS CA C 13 56.192 0.115 . 1 . . . . 2 LYS CA . 6790 1
19 . 1 1 2 2 LYS CB C 13 32.877 0.033 . 1 . . . . 2 LYS CB . 6790 1
20 . 1 1 2 2 LYS CG C 13 25.315 0.050 . 1 . . . . 2 LYS CG . 6790 1
21 . 1 1 2 2 LYS CD C 13 29.206 0.050 . 1 . . . . 2 LYS CD . 6790 1
22 . 1 1 2 2 LYS CE C 13 41.908 0.050 . 1 . . . . 2 LYS CE . 6790 1
23 . 1 1 2 2 LYS N N 15 124.167 0.054 . 1 . . . . 2 LYS N . 6790 1
24 . 1 1 3 3 LYS H H 1 9.002 0.012 . 1 . . . . 3 LYS H . 6790 1
25 . 1 1 3 3 LYS HA H 1 3.886 0.016 . 1 . . . . 3 LYS HA . 6790 1
26 . 1 1 3 3 LYS HB2 H 1 1.783 0.017 . 1 . . . . 3 LYS HB2 . 6790 1
27 . 1 1 3 3 LYS HB3 H 1 1.996 0.018 . 1 . . . . 3 LYS HB3 . 6790 1
28 . 1 1 3 3 LYS HG2 H 1 1.476 0.013 . 2 . . . . 3 LYS HG2 . 6790 1
29 . 1 1 3 3 LYS HG3 H 1 1.476 0.013 . 2 . . . . 3 LYS HG3 . 6790 1
30 . 1 1 3 3 LYS HD2 H 1 1.668 0.016 . 2 . . . . 3 LYS HD2 . 6790 1
31 . 1 1 3 3 LYS HD3 H 1 1.668 0.016 . 2 . . . . 3 LYS HD3 . 6790 1
32 . 1 1 3 3 LYS HE2 H 1 3.078 0.013 . 2 . . . . 3 LYS HE2 . 6790 1
33 . 1 1 3 3 LYS HE3 H 1 3.078 0.013 . 2 . . . . 3 LYS HE3 . 6790 1
34 . 1 1 3 3 LYS C C 13 177.782 0.100 . 1 . . . . 3 LYS C . 6790 1
35 . 1 1 3 3 LYS CA C 13 59.710 0.110 . 1 . . . . 3 LYS CA . 6790 1
36 . 1 1 3 3 LYS CB C 13 32.649 0.090 . 1 . . . . 3 LYS CB . 6790 1
37 . 1 1 3 3 LYS CG C 13 24.654 0.055 . 1 . . . . 3 LYS CG . 6790 1
38 . 1 1 3 3 LYS CD C 13 28.872 0.183 . 1 . . . . 3 LYS CD . 6790 1
39 . 1 1 3 3 LYS CE C 13 42.112 0.112 . 1 . . . . 3 LYS CE . 6790 1
40 . 1 1 3 3 LYS N N 15 124.965 0.050 . 1 . . . . 3 LYS N . 6790 1
41 . 1 1 4 4 GLU H H 1 9.347 0.015 . 1 . . . . 4 GLU H . 6790 1
42 . 1 1 4 4 GLU HA H 1 4.204 0.016 . 1 . . . . 4 GLU HA . 6790 1
43 . 1 1 4 4 GLU HB2 H 1 2.126 0.003 . 1 . . . . 4 GLU HB2 . 6790 1
44 . 1 1 4 4 GLU HB3 H 1 2.058 0.010 . 1 . . . . 4 GLU HB3 . 6790 1
45 . 1 1 4 4 GLU HG2 H 1 2.493 0.008 . 2 . . . . 4 GLU HG2 . 6790 1
46 . 1 1 4 4 GLU HG3 H 1 2.404 0.013 . 2 . . . . 4 GLU HG3 . 6790 1
47 . 1 1 4 4 GLU C C 13 179.093 0.100 . 1 . . . . 4 GLU C . 6790 1
48 . 1 1 4 4 GLU CA C 13 60.031 0.073 . 1 . . . . 4 GLU CA . 6790 1
49 . 1 1 4 4 GLU CB C 13 29.090 0.122 . 1 . . . . 4 GLU CB . 6790 1
50 . 1 1 4 4 GLU CG C 13 36.525 0.149 . 1 . . . . 4 GLU CG . 6790 1
51 . 1 1 4 4 GLU N N 15 115.310 0.039 . 1 . . . . 4 GLU N . 6790 1
52 . 1 1 5 5 THR H H 1 7.288 0.016 . 1 . . . . 5 THR H . 6790 1
53 . 1 1 5 5 THR HA H 1 4.093 0.018 . 1 . . . . 5 THR HA . 6790 1
54 . 1 1 5 5 THR HB H 1 4.313 0.016 . 1 . . . . 5 THR HB . 6790 1
55 . 1 1 5 5 THR HG21 H 1 1.236 0.017 . 1 . . . . 5 THR QG2 . 6790 1
56 . 1 1 5 5 THR HG22 H 1 1.236 0.017 . 1 . . . . 5 THR QG2 . 6790 1
57 . 1 1 5 5 THR HG23 H 1 1.236 0.017 . 1 . . . . 5 THR QG2 . 6790 1
58 . 1 1 5 5 THR C C 13 176.491 0.100 . 1 . . . . 5 THR C . 6790 1
59 . 1 1 5 5 THR CA C 13 65.571 0.126 . 1 . . . . 5 THR CA . 6790 1
60 . 1 1 5 5 THR CB C 13 67.705 0.067 . 1 . . . . 5 THR CB . 6790 1
61 . 1 1 5 5 THR CG2 C 13 24.245 0.084 . 1 . . . . 5 THR CG2 . 6790 1
62 . 1 1 5 5 THR N N 15 116.885 0.032 . 1 . . . . 5 THR N . 6790 1
63 . 1 1 6 6 ILE H H 1 7.825 0.014 . 1 . . . . 6 ILE H . 6790 1
64 . 1 1 6 6 ILE HA H 1 3.246 0.020 . 1 . . . . 6 ILE HA . 6790 1
65 . 1 1 6 6 ILE HB H 1 2.076 0.019 . 1 . . . . 6 ILE HB . 6790 1
66 . 1 1 6 6 ILE HG12 H 1 1.579 0.005 . 1 . . . . 6 ILE HG12 . 6790 1
67 . 1 1 6 6 ILE HG13 H 1 0.781 0.001 . 1 . . . . 6 ILE HG13 . 6790 1
68 . 1 1 6 6 ILE HG21 H 1 0.836 0.018 . 1 . . . . 6 ILE QG2 . 6790 1
69 . 1 1 6 6 ILE HG22 H 1 0.836 0.018 . 1 . . . . 6 ILE QG2 . 6790 1
70 . 1 1 6 6 ILE HG23 H 1 0.836 0.018 . 1 . . . . 6 ILE QG2 . 6790 1
71 . 1 1 6 6 ILE HD11 H 1 0.796 0.007 . 1 . . . . 6 ILE QD1 . 6790 1
72 . 1 1 6 6 ILE HD12 H 1 0.796 0.007 . 1 . . . . 6 ILE QD1 . 6790 1
73 . 1 1 6 6 ILE HD13 H 1 0.796 0.007 . 1 . . . . 6 ILE QD1 . 6790 1
74 . 1 1 6 6 ILE C C 13 178.691 0.100 . 1 . . . . 6 ILE C . 6790 1
75 . 1 1 6 6 ILE CA C 13 65.463 0.106 . 1 . . . . 6 ILE CA . 6790 1
76 . 1 1 6 6 ILE CB C 13 37.628 0.055 . 1 . . . . 6 ILE CB . 6790 1
77 . 1 1 6 6 ILE CG1 C 13 29.542 0.025 . 1 . . . . 6 ILE CG1 . 6790 1
78 . 1 1 6 6 ILE CG2 C 13 16.864 0.079 . 1 . . . . 6 ILE CG2 . 6790 1
79 . 1 1 6 6 ILE CD1 C 13 12.936 0.078 . 1 . . . . 6 ILE CD1 . 6790 1
80 . 1 1 6 6 ILE N N 15 121.835 0.038 . 1 . . . . 6 ILE N . 6790 1
81 . 1 1 7 7 ASP H H 1 9.186 0.014 . 1 . . . . 7 ASP H . 6790 1
82 . 1 1 7 7 ASP HA H 1 4.331 0.019 . 1 . . . . 7 ASP HA . 6790 1
83 . 1 1 7 7 ASP HB2 H 1 2.694 0.010 . 2 . . . . 7 ASP HB2 . 6790 1
84 . 1 1 7 7 ASP HB3 H 1 2.750 0.010 . 2 . . . . 7 ASP HB3 . 6790 1
85 . 1 1 7 7 ASP C C 13 177.602 0.100 . 1 . . . . 7 ASP C . 6790 1
86 . 1 1 7 7 ASP CA C 13 57.598 0.062 . 1 . . . . 7 ASP CA . 6790 1
87 . 1 1 7 7 ASP CB C 13 39.835 0.130 . 1 . . . . 7 ASP CB . 6790 1
88 . 1 1 7 7 ASP N N 15 122.191 0.061 . 1 . . . . 7 ASP N . 6790 1
89 . 1 1 8 8 LYS H H 1 7.643 0.016 . 1 . . . . 8 LYS H . 6790 1
90 . 1 1 8 8 LYS HA H 1 4.294 0.018 . 1 . . . . 8 LYS HA . 6790 1
91 . 1 1 8 8 LYS HB2 H 1 2.041 0.012 . 1 . . . . 8 LYS HB2 . 6790 1
92 . 1 1 8 8 LYS HB3 H 1 2.174 0.020 . 1 . . . . 8 LYS HB3 . 6790 1
93 . 1 1 8 8 LYS HG2 H 1 1.513 0.005 . 1 . . . . 8 LYS HG2 . 6790 1
94 . 1 1 8 8 LYS HG3 H 1 1.617 0.002 . 1 . . . . 8 LYS HG3 . 6790 1
95 . 1 1 8 8 LYS HD2 H 1 1.622 0.004 . 1 . . . . 8 LYS HD2 . 6790 1
96 . 1 1 8 8 LYS HD3 H 1 1.712 0.003 . 1 . . . . 8 LYS HD3 . 6790 1
97 . 1 1 8 8 LYS HE2 H 1 2.792 0.001 . 2 . . . . 8 LYS HE2 . 6790 1
98 . 1 1 8 8 LYS HE3 H 1 2.792 0.001 . 2 . . . . 8 LYS HE3 . 6790 1
99 . 1 1 8 8 LYS C C 13 179.220 0.100 . 1 . . . . 8 LYS C . 6790 1
100 . 1 1 8 8 LYS CA C 13 58.832 0.168 . 1 . . . . 8 LYS CA . 6790 1
101 . 1 1 8 8 LYS CB C 13 32.140 0.042 . 1 . . . . 8 LYS CB . 6790 1
102 . 1 1 8 8 LYS CG C 13 25.029 0.086 . 1 . . . . 8 LYS CG . 6790 1
103 . 1 1 8 8 LYS CD C 13 28.275 0.137 . 1 . . . . 8 LYS CD . 6790 1
104 . 1 1 8 8 LYS CE C 13 41.307 0.048 . 1 . . . . 8 LYS CE . 6790 1
105 . 1 1 8 8 LYS N N 15 119.620 0.034 . 1 . . . . 8 LYS N . 6790 1
106 . 1 1 9 9 VAL H H 1 8.439 0.014 . 1 . . . . 9 VAL H . 6790 1
107 . 1 1 9 9 VAL HA H 1 3.615 0.019 . 1 . . . . 9 VAL HA . 6790 1
108 . 1 1 9 9 VAL HB H 1 2.238 0.017 . 1 . . . . 9 VAL HB . 6790 1
109 . 1 1 9 9 VAL HG11 H 1 1.132 0.007 . 2 . . . . 9 VAL QG1 . 6790 1
110 . 1 1 9 9 VAL HG12 H 1 1.132 0.007 . 2 . . . . 9 VAL QG1 . 6790 1
111 . 1 1 9 9 VAL HG13 H 1 1.132 0.007 . 2 . . . . 9 VAL QG1 . 6790 1
112 . 1 1 9 9 VAL HG21 H 1 1.132 0.007 . 2 . . . . 9 VAL QG2 . 6790 1
113 . 1 1 9 9 VAL HG22 H 1 1.132 0.007 . 2 . . . . 9 VAL QG2 . 6790 1
114 . 1 1 9 9 VAL HG23 H 1 1.132 0.007 . 2 . . . . 9 VAL QG2 . 6790 1
115 . 1 1 9 9 VAL C C 13 177.645 0.100 . 1 . . . . 9 VAL C . 6790 1
116 . 1 1 9 9 VAL CA C 13 67.147 0.181 . 1 . . . . 9 VAL CA . 6790 1
117 . 1 1 9 9 VAL CB C 13 31.804 0.116 . 1 . . . . 9 VAL CB . 6790 1
118 . 1 1 9 9 VAL CG1 C 13 23.533 0.061 . 1 . . . . 9 VAL CG1 . 6790 1
119 . 1 1 9 9 VAL CG2 C 13 22.762 0.328 . 1 . . . . 9 VAL CG2 . 6790 1
120 . 1 1 9 9 VAL N N 15 117.786 0.046 . 1 . . . . 9 VAL N . 6790 1
121 . 1 1 10 10 SER H H 1 8.649 0.016 . 1 . . . . 10 SER H . 6790 1
122 . 1 1 10 10 SER HA H 1 3.899 0.017 . 1 . . . . 10 SER HA . 6790 1
123 . 1 1 10 10 SER HB2 H 1 4.168 0.002 . 1 . . . . 10 SER HB2 . 6790 1
124 . 1 1 10 10 SER HB3 H 1 3.755 0.003 . 1 . . . . 10 SER HB3 . 6790 1
125 . 1 1 10 10 SER C C 13 175.314 0.100 . 1 . . . . 10 SER C . 6790 1
126 . 1 1 10 10 SER CA C 13 63.001 0.076 . 1 . . . . 10 SER CA . 6790 1
127 . 1 1 10 10 SER CB C 13 62.836 0.052 . 1 . . . . 10 SER CB . 6790 1
128 . 1 1 10 10 SER N N 15 114.501 0.066 . 1 . . . . 10 SER N . 6790 1
129 . 1 1 11 11 ASP H H 1 8.482 0.008 . 1 . . . . 11 ASP H . 6790 1
130 . 1 1 11 11 ASP HA H 1 4.378 0.026 . 1 . . . . 11 ASP HA . 6790 1
131 . 1 1 11 11 ASP HB2 H 1 2.708 0.018 . 2 . . . . 11 ASP HB2 . 6790 1
132 . 1 1 11 11 ASP HB3 H 1 2.938 0.019 . 2 . . . . 11 ASP HB3 . 6790 1
133 . 1 1 11 11 ASP CA C 13 57.706 0.078 . 1 . . . . 11 ASP CA . 6790 1
134 . 1 1 11 11 ASP CB C 13 40.316 0.050 . 1 . . . . 11 ASP CB . 6790 1
135 . 1 1 11 11 ASP N N 15 121.643 0.047 . 1 . . . . 11 ASP N . 6790 1
136 . 1 1 12 12 ILE H H 1 7.875 0.019 . 1 . . . . 12 ILE H . 6790 1
137 . 1 1 12 12 ILE HA H 1 3.895 0.018 . 1 . . . . 12 ILE HA . 6790 1
138 . 1 1 12 12 ILE HB H 1 2.071 0.019 . 1 . . . . 12 ILE HB . 6790 1
139 . 1 1 12 12 ILE HG12 H 1 1.871 0.004 . 2 . . . . 12 ILE HG12 . 6790 1
140 . 1 1 12 12 ILE HG13 H 1 1.285 0.002 . 2 . . . . 12 ILE HG13 . 6790 1
141 . 1 1 12 12 ILE HG21 H 1 0.990 0.014 . 1 . . . . 12 ILE QG2 . 6790 1
142 . 1 1 12 12 ILE HG22 H 1 0.990 0.014 . 1 . . . . 12 ILE QG2 . 6790 1
143 . 1 1 12 12 ILE HG23 H 1 0.990 0.014 . 1 . . . . 12 ILE QG2 . 6790 1
144 . 1 1 12 12 ILE HD11 H 1 0.847 0.005 . 1 . . . . 12 ILE QD1 . 6790 1
145 . 1 1 12 12 ILE HD12 H 1 0.847 0.005 . 1 . . . . 12 ILE QD1 . 6790 1
146 . 1 1 12 12 ILE HD13 H 1 0.847 0.005 . 1 . . . . 12 ILE QD1 . 6790 1
147 . 1 1 12 12 ILE C C 13 178.278 0.100 . 1 . . . . 12 ILE C . 6790 1
148 . 1 1 12 12 ILE CA C 13 65.023 0.070 . 1 . . . . 12 ILE CA . 6790 1
149 . 1 1 12 12 ILE CB C 13 38.234 0.090 . 1 . . . . 12 ILE CB . 6790 1
150 . 1 1 12 12 ILE CG1 C 13 30.345 0.025 . 1 . . . . 12 ILE CG1 . 6790 1
151 . 1 1 12 12 ILE CG2 C 13 17.332 0.131 . 1 . . . . 12 ILE CG2 . 6790 1
152 . 1 1 12 12 ILE CD1 C 13 14.080 0.133 . 1 . . . . 12 ILE CD1 . 6790 1
153 . 1 1 12 12 ILE N N 15 121.950 0.044 . 1 . . . . 12 ILE N . 6790 1
154 . 1 1 13 13 VAL H H 1 8.543 0.011 . 1 . . . . 13 VAL H . 6790 1
155 . 1 1 13 13 VAL HA H 1 3.476 0.018 . 1 . . . . 13 VAL HA . 6790 1
156 . 1 1 13 13 VAL HB H 1 2.294 0.018 . 1 . . . . 13 VAL HB . 6790 1
157 . 1 1 13 13 VAL HG11 H 1 1.195 0.017 . 2 . . . . 13 VAL QG1 . 6790 1
158 . 1 1 13 13 VAL HG12 H 1 1.195 0.017 . 2 . . . . 13 VAL QG1 . 6790 1
159 . 1 1 13 13 VAL HG13 H 1 1.195 0.017 . 2 . . . . 13 VAL QG1 . 6790 1
160 . 1 1 13 13 VAL HG21 H 1 0.975 0.008 . 2 . . . . 13 VAL QG2 . 6790 1
161 . 1 1 13 13 VAL HG22 H 1 0.975 0.008 . 2 . . . . 13 VAL QG2 . 6790 1
162 . 1 1 13 13 VAL HG23 H 1 0.975 0.008 . 2 . . . . 13 VAL QG2 . 6790 1
163 . 1 1 13 13 VAL C C 13 177.174 0.100 . 1 . . . . 13 VAL C . 6790 1
164 . 1 1 13 13 VAL CA C 13 67.497 0.084 . 1 . . . . 13 VAL CA . 6790 1
165 . 1 1 13 13 VAL CB C 13 31.601 0.105 . 1 . . . . 13 VAL CB . 6790 1
166 . 1 1 13 13 VAL CG1 C 13 24.307 0.086 . 1 . . . . 13 VAL CG1 . 6790 1
167 . 1 1 13 13 VAL CG2 C 13 21.892 0.026 . 1 . . . . 13 VAL CG2 . 6790 1
168 . 1 1 13 13 VAL N N 15 120.881 0.074 . 1 . . . . 13 VAL N . 6790 1
169 . 1 1 14 14 LYS H H 1 8.708 0.010 . 1 . . . . 14 LYS H . 6790 1
170 . 1 1 14 14 LYS HA H 1 3.799 0.017 . 1 . . . . 14 LYS HA . 6790 1
171 . 1 1 14 14 LYS HB2 H 1 2.043 0.005 . 1 . . . . 14 LYS HB2 . 6790 1
172 . 1 1 14 14 LYS HB3 H 1 1.991 0.005 . 1 . . . . 14 LYS HB3 . 6790 1
173 . 1 1 14 14 LYS HG2 H 1 1.366 0.008 . 1 . . . . 14 LYS HG2 . 6790 1
174 . 1 1 14 14 LYS HG3 H 1 1.818 0.004 . 1 . . . . 14 LYS HG3 . 6790 1
175 . 1 1 14 14 LYS HD2 H 1 1.730 0.010 . 2 . . . . 14 LYS HD2 . 6790 1
176 . 1 1 14 14 LYS HD3 H 1 1.730 0.010 . 2 . . . . 14 LYS HD3 . 6790 1
177 . 1 1 14 14 LYS HE2 H 1 2.970 0.005 . 2 . . . . 14 LYS HE2 . 6790 1
178 . 1 1 14 14 LYS HE3 H 1 2.841 0.002 . 2 . . . . 14 LYS HE3 . 6790 1
179 . 1 1 14 14 LYS C C 13 178.885 0.100 . 1 . . . . 14 LYS C . 6790 1
180 . 1 1 14 14 LYS CA C 13 60.804 0.100 . 1 . . . . 14 LYS CA . 6790 1
181 . 1 1 14 14 LYS CB C 13 32.407 0.059 . 1 . . . . 14 LYS CB . 6790 1
182 . 1 1 14 14 LYS CG C 13 26.552 0.087 . 1 . . . . 14 LYS CG . 6790 1
183 . 1 1 14 14 LYS CD C 13 29.626 0.047 . 1 . . . . 14 LYS CD . 6790 1
184 . 1 1 14 14 LYS CE C 13 42.024 0.128 . 1 . . . . 14 LYS CE . 6790 1
185 . 1 1 14 14 LYS N N 15 117.868 0.067 . 1 . . . . 14 LYS N . 6790 1
186 . 1 1 15 15 GLU H H 1 7.913 0.019 . 1 . . . . 15 GLU H . 6790 1
187 . 1 1 15 15 GLU HA H 1 4.132 0.015 . 1 . . . . 15 GLU HA . 6790 1
188 . 1 1 15 15 GLU HB2 H 1 2.176 0.032 . 2 . . . . 15 GLU HB2 . 6790 1
189 . 1 1 15 15 GLU HB3 H 1 2.176 0.032 . 2 . . . . 15 GLU HB3 . 6790 1
190 . 1 1 15 15 GLU HG2 H 1 2.249 0.005 . 2 . . . . 15 GLU HG2 . 6790 1
191 . 1 1 15 15 GLU HG3 H 1 2.363 0.005 . 2 . . . . 15 GLU HG3 . 6790 1
192 . 1 1 15 15 GLU C C 13 179.992 0.100 . 1 . . . . 15 GLU C . 6790 1
193 . 1 1 15 15 GLU CA C 13 59.059 0.117 . 1 . . . . 15 GLU CA . 6790 1
194 . 1 1 15 15 GLU CB C 13 29.704 0.010 . 1 . . . . 15 GLU CB . 6790 1
195 . 1 1 15 15 GLU CG C 13 35.928 0.050 . 1 . . . . 15 GLU CG . 6790 1
196 . 1 1 15 15 GLU N N 15 117.498 0.052 . 1 . . . . 15 GLU N . 6790 1
197 . 1 1 16 16 LYS H H 1 8.482 0.016 . 1 . . . . 16 LYS H . 6790 1
198 . 1 1 16 16 LYS HA H 1 4.248 0.008 . 1 . . . . 16 LYS HA . 6790 1
199 . 1 1 16 16 LYS HB2 H 1 1.892 0.005 . 2 . . . . 16 LYS HB2 . 6790 1
200 . 1 1 16 16 LYS HB3 H 1 2.001 0.005 . 2 . . . . 16 LYS HB3 . 6790 1
201 . 1 1 16 16 LYS HG2 H 1 1.336 0.005 . 2 . . . . 16 LYS HG2 . 6790 1
202 . 1 1 16 16 LYS HG3 H 1 1.790 0.005 . 2 . . . . 16 LYS HG3 . 6790 1
203 . 1 1 16 16 LYS HD2 H 1 1.786 0.005 . 2 . . . . 16 LYS HD2 . 6790 1
204 . 1 1 16 16 LYS HD3 H 1 1.786 0.005 . 2 . . . . 16 LYS HD3 . 6790 1
205 . 1 1 16 16 LYS HE2 H 1 3.034 0.005 . 2 . . . . 16 LYS HE2 . 6790 1
206 . 1 1 16 16 LYS HE3 H 1 3.034 0.005 . 2 . . . . 16 LYS HE3 . 6790 1
207 . 1 1 16 16 LYS C C 13 178.356 0.100 . 1 . . . . 16 LYS C . 6790 1
208 . 1 1 16 16 LYS CA C 13 57.226 0.081 . 1 . . . . 16 LYS CA . 6790 1
209 . 1 1 16 16 LYS CB C 13 31.237 0.045 . 1 . . . . 16 LYS CB . 6790 1
210 . 1 1 16 16 LYS CG C 13 24.402 0.050 . 1 . . . . 16 LYS CG . 6790 1
211 . 1 1 16 16 LYS CD C 13 27.407 0.050 . 1 . . . . 16 LYS CD . 6790 1
212 . 1 1 16 16 LYS CE C 13 41.860 0.145 . 1 . . . . 16 LYS CE . 6790 1
213 . 1 1 16 16 LYS N N 15 118.551 0.084 . 1 . . . . 16 LYS N . 6790 1
214 . 1 1 17 17 LEU H H 1 8.093 0.011 . 1 . . . . 17 LEU H . 6790 1
215 . 1 1 17 17 LEU HA H 1 4.397 0.012 . 1 . . . . 17 LEU HA . 6790 1
216 . 1 1 17 17 LEU HB2 H 1 1.703 0.026 . 2 . . . . 17 LEU HB2 . 6790 1
217 . 1 1 17 17 LEU HB3 H 1 1.703 0.026 . 2 . . . . 17 LEU HB3 . 6790 1
218 . 1 1 17 17 LEU HG H 1 1.857 0.005 . 1 . . . . 17 LEU HG . 6790 1
219 . 1 1 17 17 LEU HD11 H 1 0.833 0.006 . 2 . . . . 17 LEU QD1 . 6790 1
220 . 1 1 17 17 LEU HD12 H 1 0.833 0.006 . 2 . . . . 17 LEU QD1 . 6790 1
221 . 1 1 17 17 LEU HD13 H 1 0.833 0.006 . 2 . . . . 17 LEU QD1 . 6790 1
222 . 1 1 17 17 LEU HD21 H 1 0.833 0.006 . 2 . . . . 17 LEU QD2 . 6790 1
223 . 1 1 17 17 LEU HD22 H 1 0.833 0.006 . 2 . . . . 17 LEU QD2 . 6790 1
224 . 1 1 17 17 LEU HD23 H 1 0.833 0.006 . 2 . . . . 17 LEU QD2 . 6790 1
225 . 1 1 17 17 LEU C C 13 175.162 0.100 . 1 . . . . 17 LEU C . 6790 1
226 . 1 1 17 17 LEU CA C 13 54.508 0.040 . 1 . . . . 17 LEU CA . 6790 1
227 . 1 1 17 17 LEU CB C 13 40.917 0.047 . 1 . . . . 17 LEU CB . 6790 1
228 . 1 1 17 17 LEU CG C 13 26.689 0.050 . 1 . . . . 17 LEU CG . 6790 1
229 . 1 1 17 17 LEU CD1 C 13 22.210 0.050 . 1 . . . . 17 LEU CD1 . 6790 1
230 . 1 1 17 17 LEU CD2 C 13 22.210 0.050 . 1 . . . . 17 LEU CD2 . 6790 1
231 . 1 1 17 17 LEU N N 15 115.592 0.080 . 1 . . . . 17 LEU N . 6790 1
232 . 1 1 18 18 ALA H H 1 7.747 0.018 . 1 . . . . 18 ALA H . 6790 1
233 . 1 1 18 18 ALA HA H 1 4.111 0.019 . 1 . . . . 18 ALA HA . 6790 1
234 . 1 1 18 18 ALA HB1 H 1 1.400 0.017 . 1 . . . . 18 ALA QB . 6790 1
235 . 1 1 18 18 ALA HB2 H 1 1.400 0.017 . 1 . . . . 18 ALA QB . 6790 1
236 . 1 1 18 18 ALA HB3 H 1 1.400 0.017 . 1 . . . . 18 ALA QB . 6790 1
237 . 1 1 18 18 ALA C C 13 177.057 0.100 . 1 . . . . 18 ALA C . 6790 1
238 . 1 1 18 18 ALA CA C 13 52.469 0.091 . 1 . . . . 18 ALA CA . 6790 1
239 . 1 1 18 18 ALA CB C 13 16.341 0.118 . 1 . . . . 18 ALA CB . 6790 1
240 . 1 1 18 18 ALA N N 15 122.218 0.044 . 1 . . . . 18 ALA N . 6790 1
241 . 1 1 19 19 LEU H H 1 8.105 0.011 . 1 . . . . 19 LEU H . 6790 1
242 . 1 1 19 19 LEU HA H 1 4.369 0.017 . 1 . . . . 19 LEU HA . 6790 1
243 . 1 1 19 19 LEU HB2 H 1 1.760 0.014 . 1 . . . . 19 LEU HB2 . 6790 1
244 . 1 1 19 19 LEU HB3 H 1 1.418 0.017 . 1 . . . . 19 LEU HB3 . 6790 1
245 . 1 1 19 19 LEU HG H 1 1.771 0.005 . 1 . . . . 19 LEU HG . 6790 1
246 . 1 1 19 19 LEU HD11 H 1 0.993 0.005 . 1 . . . . 19 LEU QD1 . 6790 1
247 . 1 1 19 19 LEU HD12 H 1 0.993 0.005 . 1 . . . . 19 LEU QD1 . 6790 1
248 . 1 1 19 19 LEU HD13 H 1 0.993 0.005 . 1 . . . . 19 LEU QD1 . 6790 1
249 . 1 1 19 19 LEU HD21 H 1 0.934 0.005 . 1 . . . . 19 LEU QD2 . 6790 1
250 . 1 1 19 19 LEU HD22 H 1 0.934 0.005 . 1 . . . . 19 LEU QD2 . 6790 1
251 . 1 1 19 19 LEU HD23 H 1 0.934 0.005 . 1 . . . . 19 LEU QD2 . 6790 1
252 . 1 1 19 19 LEU C C 13 178.225 0.100 . 1 . . . . 19 LEU C . 6790 1
253 . 1 1 19 19 LEU CA C 13 54.566 0.087 . 1 . . . . 19 LEU CA . 6790 1
254 . 1 1 19 19 LEU CB C 13 42.402 0.089 . 1 . . . . 19 LEU CB . 6790 1
255 . 1 1 19 19 LEU CG C 13 26.632 0.117 . 1 . . . . 19 LEU CG . 6790 1
256 . 1 1 19 19 LEU CD1 C 13 22.563 0.029 . 1 . . . . 19 LEU CD1 . 6790 1
257 . 1 1 19 19 LEU CD2 C 13 26.529 0.028 . 1 . . . . 19 LEU CD2 . 6790 1
258 . 1 1 19 19 LEU N N 15 117.159 0.029 . 1 . . . . 19 LEU N . 6790 1
259 . 1 1 20 20 GLY H H 1 8.765 0.012 . 1 . . . . 20 GLY H . 6790 1
260 . 1 1 20 20 GLY HA2 H 1 4.150 0.018 . 2 . . . . 20 GLY HA2 . 6790 1
261 . 1 1 20 20 GLY HA3 H 1 3.935 0.017 . 2 . . . . 20 GLY HA3 . 6790 1
262 . 1 1 20 20 GLY C C 13 174.603 0.100 . 1 . . . . 20 GLY C . 6790 1
263 . 1 1 20 20 GLY CA C 13 44.432 0.132 . 1 . . . . 20 GLY CA . 6790 1
264 . 1 1 20 20 GLY N N 15 109.562 0.069 . 1 . . . . 20 GLY N . 6790 1
265 . 1 1 21 21 ALA H H 1 8.638 0.011 . 1 . . . . 21 ALA H . 6790 1
266 . 1 1 21 21 ALA HA H 1 4.065 0.012 . 1 . . . . 21 ALA HA . 6790 1
267 . 1 1 21 21 ALA HB1 H 1 1.425 0.017 . 1 . . . . 21 ALA QB . 6790 1
268 . 1 1 21 21 ALA HB2 H 1 1.425 0.017 . 1 . . . . 21 ALA QB . 6790 1
269 . 1 1 21 21 ALA HB3 H 1 1.425 0.017 . 1 . . . . 21 ALA QB . 6790 1
270 . 1 1 21 21 ALA C C 13 178.211 0.100 . 1 . . . . 21 ALA C . 6790 1
271 . 1 1 21 21 ALA CA C 13 54.357 0.078 . 1 . . . . 21 ALA CA . 6790 1
272 . 1 1 21 21 ALA CB C 13 18.801 0.088 . 1 . . . . 21 ALA CB . 6790 1
273 . 1 1 21 21 ALA N N 15 122.305 0.022 . 1 . . . . 21 ALA N . 6790 1
274 . 1 1 22 22 ASP H H 1 8.784 0.013 . 1 . . . . 22 ASP H . 6790 1
275 . 1 1 22 22 ASP HA H 1 4.444 0.017 . 1 . . . . 22 ASP HA . 6790 1
276 . 1 1 22 22 ASP HB2 H 1 2.692 0.015 . 2 . . . . 22 ASP HB2 . 6790 1
277 . 1 1 22 22 ASP HB3 H 1 2.692 0.015 . 2 . . . . 22 ASP HB3 . 6790 1
278 . 1 1 22 22 ASP C C 13 175.869 0.100 . 1 . . . . 22 ASP C . 6790 1
279 . 1 1 22 22 ASP CA C 13 53.859 0.091 . 1 . . . . 22 ASP CA . 6790 1
280 . 1 1 22 22 ASP CB C 13 40.169 0.047 . 1 . . . . 22 ASP CB . 6790 1
281 . 1 1 22 22 ASP N N 15 113.438 0.027 . 1 . . . . 22 ASP N . 6790 1
282 . 1 1 23 23 VAL H H 1 7.412 0.015 . 1 . . . . 23 VAL H . 6790 1
283 . 1 1 23 23 VAL HA H 1 3.909 0.018 . 1 . . . . 23 VAL HA . 6790 1
284 . 1 1 23 23 VAL HB H 1 2.061 0.015 . 1 . . . . 23 VAL HB . 6790 1
285 . 1 1 23 23 VAL HG11 H 1 0.900 0.012 . 2 . . . . 23 VAL QG1 . 6790 1
286 . 1 1 23 23 VAL HG12 H 1 0.900 0.012 . 2 . . . . 23 VAL QG1 . 6790 1
287 . 1 1 23 23 VAL HG13 H 1 0.900 0.012 . 2 . . . . 23 VAL QG1 . 6790 1
288 . 1 1 23 23 VAL HG21 H 1 0.971 0.022 . 2 . . . . 23 VAL QG2 . 6790 1
289 . 1 1 23 23 VAL HG22 H 1 0.971 0.022 . 2 . . . . 23 VAL QG2 . 6790 1
290 . 1 1 23 23 VAL HG23 H 1 0.971 0.022 . 2 . . . . 23 VAL QG2 . 6790 1
291 . 1 1 23 23 VAL C C 13 175.200 0.100 . 1 . . . . 23 VAL C . 6790 1
292 . 1 1 23 23 VAL CA C 13 62.881 0.054 . 1 . . . . 23 VAL CA . 6790 1
293 . 1 1 23 23 VAL CB C 13 31.982 0.079 . 1 . . . . 23 VAL CB . 6790 1
294 . 1 1 23 23 VAL CG1 C 13 21.409 0.027 . 1 . . . . 23 VAL CG1 . 6790 1
295 . 1 1 23 23 VAL CG2 C 13 21.662 0.004 . 1 . . . . 23 VAL CG2 . 6790 1
296 . 1 1 23 23 VAL N N 15 122.196 0.069 . 1 . . . . 23 VAL N . 6790 1
297 . 1 1 24 24 VAL H H 1 8.547 0.009 . 1 . . . . 24 VAL H . 6790 1
298 . 1 1 24 24 VAL HA H 1 3.950 0.025 . 1 . . . . 24 VAL HA . 6790 1
299 . 1 1 24 24 VAL HB H 1 1.945 0.015 . 1 . . . . 24 VAL HB . 6790 1
300 . 1 1 24 24 VAL HG11 H 1 0.845 0.006 . 2 . . . . 24 VAL QG1 . 6790 1
301 . 1 1 24 24 VAL HG12 H 1 0.845 0.006 . 2 . . . . 24 VAL QG1 . 6790 1
302 . 1 1 24 24 VAL HG13 H 1 0.845 0.006 . 2 . . . . 24 VAL QG1 . 6790 1
303 . 1 1 24 24 VAL HG21 H 1 0.951 0.025 . 2 . . . . 24 VAL QG2 . 6790 1
304 . 1 1 24 24 VAL HG22 H 1 0.951 0.025 . 2 . . . . 24 VAL QG2 . 6790 1
305 . 1 1 24 24 VAL HG23 H 1 0.951 0.025 . 2 . . . . 24 VAL QG2 . 6790 1
306 . 1 1 24 24 VAL C C 13 175.534 0.100 . 1 . . . . 24 VAL C . 6790 1
307 . 1 1 24 24 VAL CA C 13 62.720 0.070 . 1 . . . . 24 VAL CA . 6790 1
308 . 1 1 24 24 VAL CB C 13 32.136 0.060 . 1 . . . . 24 VAL CB . 6790 1
309 . 1 1 24 24 VAL CG1 C 13 21.153 0.030 . 1 . . . . 24 VAL CG1 . 6790 1
310 . 1 1 24 24 VAL CG2 C 13 21.182 0.050 . 1 . . . . 24 VAL CG2 . 6790 1
311 . 1 1 24 24 VAL N N 15 129.339 0.047 . 1 . . . . 24 VAL N . 6790 1
312 . 1 1 25 25 VAL H H 1 8.576 0.009 . 1 . . . . 25 VAL H . 6790 1
313 . 1 1 25 25 VAL HA H 1 4.228 0.015 . 1 . . . . 25 VAL HA . 6790 1
314 . 1 1 25 25 VAL HB H 1 1.899 0.018 . 1 . . . . 25 VAL HB . 6790 1
315 . 1 1 25 25 VAL HG11 H 1 0.840 0.017 . 2 . . . . 25 VAL QG1 . 6790 1
316 . 1 1 25 25 VAL HG12 H 1 0.840 0.017 . 2 . . . . 25 VAL QG1 . 6790 1
317 . 1 1 25 25 VAL HG13 H 1 0.840 0.017 . 2 . . . . 25 VAL QG1 . 6790 1
318 . 1 1 25 25 VAL HG21 H 1 0.840 0.017 . 2 . . . . 25 VAL QG2 . 6790 1
319 . 1 1 25 25 VAL HG22 H 1 0.840 0.017 . 2 . . . . 25 VAL QG2 . 6790 1
320 . 1 1 25 25 VAL HG23 H 1 0.840 0.017 . 2 . . . . 25 VAL QG2 . 6790 1
321 . 1 1 25 25 VAL C C 13 175.506 0.100 . 1 . . . . 25 VAL C . 6790 1
322 . 1 1 25 25 VAL CA C 13 61.686 0.117 . 1 . . . . 25 VAL CA . 6790 1
323 . 1 1 25 25 VAL CB C 13 33.188 0.049 . 1 . . . . 25 VAL CB . 6790 1
324 . 1 1 25 25 VAL CG1 C 13 21.981 0.127 . 1 . . . . 25 VAL CG1 . 6790 1
325 . 1 1 25 25 VAL N N 15 129.345 0.048 . 1 . . . . 25 VAL N . 6790 1
326 . 1 1 26 26 THR H H 1 9.079 0.008 . 1 . . . . 26 THR H . 6790 1
327 . 1 1 26 26 THR HA H 1 4.723 0.017 . 1 . . . . 26 THR HA . 6790 1
328 . 1 1 26 26 THR HB H 1 4.543 0.013 . 1 . . . . 26 THR HB . 6790 1
329 . 1 1 26 26 THR HG21 H 1 1.126 0.005 . 1 . . . . 26 THR QG2 . 6790 1
330 . 1 1 26 26 THR HG22 H 1 1.126 0.005 . 1 . . . . 26 THR QG2 . 6790 1
331 . 1 1 26 26 THR HG23 H 1 1.126 0.005 . 1 . . . . 26 THR QG2 . 6790 1
332 . 1 1 26 26 THR C C 13 175.015 0.100 . 1 . . . . 26 THR C . 6790 1
333 . 1 1 26 26 THR CA C 13 59.340 0.112 . 1 . . . . 26 THR CA . 6790 1
334 . 1 1 26 26 THR CB C 13 72.254 0.156 . 1 . . . . 26 THR CB . 6790 1
335 . 1 1 26 26 THR CG2 C 13 21.464 0.131 . 1 . . . . 26 THR CG2 . 6790 1
336 . 1 1 26 26 THR N N 15 118.779 0.049 . 1 . . . . 26 THR N . 6790 1
337 . 1 1 27 27 ALA H H 1 8.849 0.011 . 1 . . . . 27 ALA H . 6790 1
338 . 1 1 27 27 ALA HA H 1 3.755 0.016 . 1 . . . . 27 ALA HA . 6790 1
339 . 1 1 27 27 ALA HB1 H 1 1.495 0.015 . 1 . . . . 27 ALA QB . 6790 1
340 . 1 1 27 27 ALA HB2 H 1 1.495 0.015 . 1 . . . . 27 ALA QB . 6790 1
341 . 1 1 27 27 ALA HB3 H 1 1.495 0.015 . 1 . . . . 27 ALA QB . 6790 1
342 . 1 1 27 27 ALA C C 13 176.793 0.100 . 1 . . . . 27 ALA C . 6790 1
343 . 1 1 27 27 ALA CA C 13 54.968 0.070 . 1 . . . . 27 ALA CA . 6790 1
344 . 1 1 27 27 ALA CB C 13 19.209 0.070 . 1 . . . . 27 ALA CB . 6790 1
345 . 1 1 27 27 ALA N N 15 121.032 0.055 . 1 . . . . 27 ALA N . 6790 1
346 . 1 1 28 28 ASP H H 1 7.776 0.016 . 1 . . . . 28 ASP H . 6790 1
347 . 1 1 28 28 ASP HA H 1 4.664 0.016 . 1 . . . . 28 ASP HA . 6790 1
348 . 1 1 28 28 ASP HB2 H 1 2.459 0.017 . 2 . . . . 28 ASP HB2 . 6790 1
349 . 1 1 28 28 ASP HB3 H 1 2.772 0.015 . 2 . . . . 28 ASP HB3 . 6790 1
350 . 1 1 28 28 ASP C C 13 176.302 0.100 . 1 . . . . 28 ASP C . 6790 1
351 . 1 1 28 28 ASP CA C 13 53.580 0.073 . 1 . . . . 28 ASP CA . 6790 1
352 . 1 1 28 28 ASP CB C 13 41.349 0.104 . 1 . . . . 28 ASP CB . 6790 1
353 . 1 1 28 28 ASP N N 15 110.336 0.051 . 1 . . . . 28 ASP N . 6790 1
354 . 1 1 29 29 SER H H 1 7.912 0.015 . 1 . . . . 29 SER H . 6790 1
355 . 1 1 29 29 SER HA H 1 4.261 0.017 . 1 . . . . 29 SER HA . 6790 1
356 . 1 1 29 29 SER HB2 H 1 3.933 0.005 . 2 . . . . 29 SER HB2 . 6790 1
357 . 1 1 29 29 SER HB3 H 1 3.745 0.015 . 2 . . . . 29 SER HB3 . 6790 1
358 . 1 1 29 29 SER C C 13 172.584 0.100 . 1 . . . . 29 SER C . 6790 1
359 . 1 1 29 29 SER CA C 13 61.076 0.090 . 1 . . . . 29 SER CA . 6790 1
360 . 1 1 29 29 SER CB C 13 63.200 0.091 . 1 . . . . 29 SER CB . 6790 1
361 . 1 1 29 29 SER N N 15 118.602 0.059 . 1 . . . . 29 SER N . 6790 1
362 . 1 1 30 30 GLU H H 1 8.661 0.008 . 1 . . . . 30 GLU H . 6790 1
363 . 1 1 30 30 GLU HA H 1 4.858 0.015 . 1 . . . . 30 GLU HA . 6790 1
364 . 1 1 30 30 GLU HB2 H 1 1.836 0.017 . 2 . . . . 30 GLU HB2 . 6790 1
365 . 1 1 30 30 GLU HB3 H 1 2.248 0.020 . 2 . . . . 30 GLU HB3 . 6790 1
366 . 1 1 30 30 GLU HG2 H 1 2.203 0.005 . 2 . . . . 30 GLU HG2 . 6790 1
367 . 1 1 30 30 GLU HG3 H 1 2.352 0.005 . 2 . . . . 30 GLU HG3 . 6790 1
368 . 1 1 30 30 GLU CA C 13 53.982 0.112 . 1 . . . . 30 GLU CA . 6790 1
369 . 1 1 30 30 GLU CB C 13 31.617 0.038 . 1 . . . . 30 GLU CB . 6790 1
370 . 1 1 30 30 GLU CG C 13 36.983 0.033 . 1 . . . . 30 GLU CG . 6790 1
371 . 1 1 30 30 GLU N N 15 121.993 0.051 . 1 . . . . 30 GLU N . 6790 1
372 . 1 1 31 31 PHE HA H 1 3.922 0.005 . 1 . . . . 31 PHE HA . 6790 1
373 . 1 1 31 31 PHE HB2 H 1 3.039 0.006 . 2 . . . . 31 PHE HB2 . 6790 1
374 . 1 1 31 31 PHE HB3 H 1 3.039 0.006 . 2 . . . . 31 PHE HB3 . 6790 1
375 . 1 1 31 31 PHE HD1 H 1 7.086 0.005 . 3 . . . . 31 PHE HD1 . 6790 1
376 . 1 1 31 31 PHE HD2 H 1 7.086 0.005 . 3 . . . . 31 PHE HD2 . 6790 1
377 . 1 1 31 31 PHE HE1 H 1 6.835 0.005 . 3 . . . . 31 PHE HE1 . 6790 1
378 . 1 1 31 31 PHE HE2 H 1 6.835 0.005 . 3 . . . . 31 PHE HE2 . 6790 1
379 . 1 1 31 31 PHE CA C 13 62.574 0.050 . 1 . . . . 31 PHE CA . 6790 1
380 . 1 1 31 31 PHE CB C 13 39.159 0.050 . 1 . . . . 31 PHE CB . 6790 1
381 . 1 1 31 31 PHE N N 15 121.863 0.080 . 1 . . . . 31 PHE N . 6790 1
382 . 1 1 32 32 SER H H 1 9.595 0.005 . 1 . . . . 32 SER H . 6790 1
383 . 1 1 32 32 SER N N 15 113.309 0.039 . 1 . . . . 32 SER N . 6790 1
384 . 1 1 33 33 LYS H H 1 7.051 0.009 . 1 . . . . 33 LYS H . 6790 1
385 . 1 1 33 33 LYS N N 15 122.374 0.074 . 1 . . . . 33 LYS N . 6790 1
386 . 1 1 38 38 SER H H 1 8.995 0.009 . 1 . . . . 38 SER H . 6790 1
387 . 1 1 38 38 SER N N 15 114.451 0.052 . 1 . . . . 38 SER N . 6790 1
388 . 1 1 39 39 LEU H H 1 8.258 0.010 . 1 . . . . 39 LEU H . 6790 1
389 . 1 1 39 39 LEU N N 15 124.316 0.016 . 1 . . . . 39 LEU N . 6790 1
390 . 1 1 40 40 ASP H H 1 8.499 0.010 . 1 . . . . 40 ASP H . 6790 1
391 . 1 1 40 40 ASP N N 15 119.953 0.010 . 1 . . . . 40 ASP N . 6790 1
392 . 1 1 41 41 THR H H 1 7.946 0.008 . 1 . . . . 41 THR H . 6790 1
393 . 1 1 41 41 THR HA H 1 3.625 0.009 . 1 . . . . 41 THR HA . 6790 1
394 . 1 1 41 41 THR HB H 1 4.213 0.005 . 1 . . . . 41 THR HB . 6790 1
395 . 1 1 41 41 THR HG21 H 1 1.120 0.008 . 1 . . . . 41 THR QG2 . 6790 1
396 . 1 1 41 41 THR HG22 H 1 1.120 0.008 . 1 . . . . 41 THR QG2 . 6790 1
397 . 1 1 41 41 THR HG23 H 1 1.120 0.008 . 1 . . . . 41 THR QG2 . 6790 1
398 . 1 1 41 41 THR CA C 13 66.984 0.191 . 1 . . . . 41 THR CA . 6790 1
399 . 1 1 41 41 THR CB C 13 68.467 0.024 . 1 . . . . 41 THR CB . 6790 1
400 . 1 1 41 41 THR CG2 C 13 22.262 0.074 . 1 . . . . 41 THR CG2 . 6790 1
401 . 1 1 41 41 THR N N 15 113.193 0.062 . 1 . . . . 41 THR N . 6790 1
402 . 1 1 42 42 VAL H H 1 7.559 0.003 . 1 . . . . 42 VAL H . 6790 1
403 . 1 1 42 42 VAL HA H 1 3.598 0.003 . 1 . . . . 42 VAL HA . 6790 1
404 . 1 1 42 42 VAL HB H 1 2.187 0.005 . 1 . . . . 42 VAL HB . 6790 1
405 . 1 1 42 42 VAL CA C 13 66.687 0.114 . 1 . . . . 42 VAL CA . 6790 1
406 . 1 1 42 42 VAL CB C 13 31.928 0.050 . 1 . . . . 42 VAL CB . 6790 1
407 . 1 1 42 42 VAL N N 15 119.735 0.038 . 1 . . . . 42 VAL N . 6790 1
408 . 1 1 43 43 GLU H H 1 7.770 0.007 . 1 . . . . 43 GLU H . 6790 1
409 . 1 1 43 43 GLU HA H 1 4.102 0.005 . 1 . . . . 43 GLU HA . 6790 1
410 . 1 1 43 43 GLU CA C 13 59.079 0.071 . 1 . . . . 43 GLU CA . 6790 1
411 . 1 1 43 43 GLU N N 15 118.635 0.029 . 1 . . . . 43 GLU N . 6790 1
412 . 1 1 44 44 ILE H H 1 8.214 0.005 . 1 . . . . 44 ILE H . 6790 1
413 . 1 1 44 44 ILE HA H 1 3.521 0.021 . 1 . . . . 44 ILE HA . 6790 1
414 . 1 1 44 44 ILE HB H 1 1.934 0.012 . 1 . . . . 44 ILE HB . 6790 1
415 . 1 1 44 44 ILE HG12 H 1 0.822 0.006 . 1 . . . . 44 ILE HG12 . 6790 1
416 . 1 1 44 44 ILE HG13 H 1 1.937 0.012 . 1 . . . . 44 ILE HG13 . 6790 1
417 . 1 1 44 44 ILE HG21 H 1 0.813 0.005 . 1 . . . . 44 ILE QG2 . 6790 1
418 . 1 1 44 44 ILE HG22 H 1 0.813 0.005 . 1 . . . . 44 ILE QG2 . 6790 1
419 . 1 1 44 44 ILE HG23 H 1 0.813 0.005 . 1 . . . . 44 ILE QG2 . 6790 1
420 . 1 1 44 44 ILE HD11 H 1 0.845 0.005 . 1 . . . . 44 ILE QD1 . 6790 1
421 . 1 1 44 44 ILE HD12 H 1 0.845 0.005 . 1 . . . . 44 ILE QD1 . 6790 1
422 . 1 1 44 44 ILE HD13 H 1 0.845 0.005 . 1 . . . . 44 ILE QD1 . 6790 1
423 . 1 1 44 44 ILE C C 13 177.449 0.100 . 1 . . . . 44 ILE C . 6790 1
424 . 1 1 44 44 ILE CA C 13 66.464 0.050 . 1 . . . . 44 ILE CA . 6790 1
425 . 1 1 44 44 ILE CB C 13 38.026 0.037 . 1 . . . . 44 ILE CB . 6790 1
426 . 1 1 44 44 ILE CG1 C 13 30.443 0.088 . 1 . . . . 44 ILE CG1 . 6790 1
427 . 1 1 44 44 ILE CG2 C 13 17.409 0.050 . 1 . . . . 44 ILE CG2 . 6790 1
428 . 1 1 44 44 ILE CD1 C 13 13.431 0.032 . 1 . . . . 44 ILE CD1 . 6790 1
429 . 1 1 44 44 ILE N N 15 119.928 0.013 . 1 . . . . 44 ILE N . 6790 1
430 . 1 1 45 45 VAL H H 1 8.519 0.010 . 1 . . . . 45 VAL H . 6790 1
431 . 1 1 45 45 VAL HA H 1 3.425 0.021 . 1 . . . . 45 VAL HA . 6790 1
432 . 1 1 45 45 VAL HB H 1 2.257 0.019 . 1 . . . . 45 VAL HB . 6790 1
433 . 1 1 45 45 VAL HG11 H 1 1.003 0.016 . 1 . . . . 45 VAL QG1 . 6790 1
434 . 1 1 45 45 VAL HG12 H 1 1.003 0.016 . 1 . . . . 45 VAL QG1 . 6790 1
435 . 1 1 45 45 VAL HG13 H 1 1.003 0.016 . 1 . . . . 45 VAL QG1 . 6790 1
436 . 1 1 45 45 VAL HG21 H 1 0.868 0.003 . 1 . . . . 45 VAL QG2 . 6790 1
437 . 1 1 45 45 VAL HG22 H 1 0.868 0.003 . 1 . . . . 45 VAL QG2 . 6790 1
438 . 1 1 45 45 VAL HG23 H 1 0.868 0.003 . 1 . . . . 45 VAL QG2 . 6790 1
439 . 1 1 45 45 VAL C C 13 177.864 0.100 . 1 . . . . 45 VAL C . 6790 1
440 . 1 1 45 45 VAL CA C 13 68.130 0.080 . 1 . . . . 45 VAL CA . 6790 1
441 . 1 1 45 45 VAL CB C 13 31.426 0.017 . 1 . . . . 45 VAL CB . 6790 1
442 . 1 1 45 45 VAL CG1 C 13 24.231 0.050 . 1 . . . . 45 VAL CG1 . 6790 1
443 . 1 1 45 45 VAL CG2 C 13 21.536 0.050 . 1 . . . . 45 VAL CG2 . 6790 1
444 . 1 1 45 45 VAL N N 15 119.679 0.027 . 1 . . . . 45 VAL N . 6790 1
445 . 1 1 46 46 MET H H 1 8.384 0.014 . 1 . . . . 46 MET H . 6790 1
446 . 1 1 46 46 MET HA H 1 4.398 0.014 . 1 . . . . 46 MET HA . 6790 1
447 . 1 1 46 46 MET HB2 H 1 2.230 0.017 . 2 . . . . 46 MET HB2 . 6790 1
448 . 1 1 46 46 MET HB3 H 1 2.230 0.017 . 2 . . . . 46 MET HB3 . 6790 1
449 . 1 1 46 46 MET HG2 H 1 2.649 0.005 . 2 . . . . 46 MET HG2 . 6790 1
450 . 1 1 46 46 MET HG3 H 1 2.858 0.005 . 2 . . . . 46 MET HG3 . 6790 1
451 . 1 1 46 46 MET HE1 H 1 2.147 0.005 . 1 . . . . 46 MET QE . 6790 1
452 . 1 1 46 46 MET HE2 H 1 2.147 0.005 . 1 . . . . 46 MET QE . 6790 1
453 . 1 1 46 46 MET HE3 H 1 2.147 0.005 . 1 . . . . 46 MET QE . 6790 1
454 . 1 1 46 46 MET C C 13 179.270 0.100 . 1 . . . . 46 MET C . 6790 1
455 . 1 1 46 46 MET CA C 13 59.139 0.093 . 1 . . . . 46 MET CA . 6790 1
456 . 1 1 46 46 MET CB C 13 32.696 0.051 . 1 . . . . 46 MET CB . 6790 1
457 . 1 1 46 46 MET CG C 13 32.091 0.062 . 1 . . . . 46 MET CG . 6790 1
458 . 1 1 46 46 MET CE C 13 16.850 0.021 . 1 . . . . 46 MET CE . 6790 1
459 . 1 1 46 46 MET N N 15 117.501 0.048 . 1 . . . . 46 MET N . 6790 1
460 . 1 1 47 47 ASN H H 1 8.165 0.016 . 1 . . . . 47 ASN H . 6790 1
461 . 1 1 47 47 ASN HA H 1 4.693 0.017 . 1 . . . . 47 ASN HA . 6790 1
462 . 1 1 47 47 ASN HB2 H 1 2.941 0.017 . 1 . . . . 47 ASN HB2 . 6790 1
463 . 1 1 47 47 ASN HB3 H 1 2.820 0.026 . 1 . . . . 47 ASN HB3 . 6790 1
464 . 1 1 47 47 ASN HD21 H 1 7.306 0.005 . 1 . . . . 47 ASN HD21 . 6790 1
465 . 1 1 47 47 ASN HD22 H 1 7.557 0.005 . 1 . . . . 47 ASN HD22 . 6790 1
466 . 1 1 47 47 ASN C C 13 179.084 0.100 . 1 . . . . 47 ASN C . 6790 1
467 . 1 1 47 47 ASN CA C 13 55.985 0.105 . 1 . . . . 47 ASN CA . 6790 1
468 . 1 1 47 47 ASN CB C 13 39.292 0.061 . 1 . . . . 47 ASN CB . 6790 1
469 . 1 1 47 47 ASN N N 15 118.318 0.063 . 1 . . . . 47 ASN N . 6790 1
470 . 1 1 47 47 ASN ND2 N 15 110.918 0.055 . 1 . . . . 47 ASN ND2 . 6790 1
471 . 1 1 48 48 LEU H H 1 8.737 0.015 . 1 . . . . 48 LEU H . 6790 1
472 . 1 1 48 48 LEU HA H 1 4.279 0.018 . 1 . . . . 48 LEU HA . 6790 1
473 . 1 1 48 48 LEU HB2 H 1 2.337 0.015 . 1 . . . . 48 LEU HB2 . 6790 1
474 . 1 1 48 48 LEU HB3 H 1 1.403 0.019 . 1 . . . . 48 LEU HB3 . 6790 1
475 . 1 1 48 48 LEU HG H 1 2.186 0.005 . 1 . . . . 48 LEU HG . 6790 1
476 . 1 1 48 48 LEU HD11 H 1 1.167 0.005 . 2 . . . . 48 LEU QD1 . 6790 1
477 . 1 1 48 48 LEU HD12 H 1 1.167 0.005 . 2 . . . . 48 LEU QD1 . 6790 1
478 . 1 1 48 48 LEU HD13 H 1 1.167 0.005 . 2 . . . . 48 LEU QD1 . 6790 1
479 . 1 1 48 48 LEU HD21 H 1 0.916 0.005 . 2 . . . . 48 LEU QD2 . 6790 1
480 . 1 1 48 48 LEU HD22 H 1 0.916 0.005 . 2 . . . . 48 LEU QD2 . 6790 1
481 . 1 1 48 48 LEU HD23 H 1 0.916 0.005 . 2 . . . . 48 LEU QD2 . 6790 1
482 . 1 1 48 48 LEU C C 13 178.803 0.100 . 1 . . . . 48 LEU C . 6790 1
483 . 1 1 48 48 LEU CA C 13 58.543 0.079 . 1 . . . . 48 LEU CA . 6790 1
484 . 1 1 48 48 LEU CB C 13 41.927 0.034 . 1 . . . . 48 LEU CB . 6790 1
485 . 1 1 48 48 LEU CG C 13 26.989 0.078 . 1 . . . . 48 LEU CG . 6790 1
486 . 1 1 48 48 LEU CD1 C 13 25.099 0.045 . 1 . . . . 48 LEU CD1 . 6790 1
487 . 1 1 48 48 LEU CD2 C 13 27.210 0.082 . 1 . . . . 48 LEU CD2 . 6790 1
488 . 1 1 48 48 LEU N N 15 122.350 0.058 . 1 . . . . 48 LEU N . 6790 1
489 . 1 1 49 49 GLU H H 1 8.917 0.011 . 1 . . . . 49 GLU H . 6790 1
490 . 1 1 49 49 GLU HA H 1 4.037 0.020 . 1 . . . . 49 GLU HA . 6790 1
491 . 1 1 49 49 GLU HB2 H 1 2.497 0.022 . 1 . . . . 49 GLU HB2 . 6790 1
492 . 1 1 49 49 GLU HB3 H 1 2.302 0.028 . 1 . . . . 49 GLU HB3 . 6790 1
493 . 1 1 49 49 GLU HG2 H 1 2.261 0.005 . 2 . . . . 49 GLU HG2 . 6790 1
494 . 1 1 49 49 GLU HG3 H 1 2.866 0.008 . 2 . . . . 49 GLU HG3 . 6790 1
495 . 1 1 49 49 GLU C C 13 179.811 0.100 . 1 . . . . 49 GLU C . 6790 1
496 . 1 1 49 49 GLU CA C 13 60.223 0.086 . 1 . . . . 49 GLU CA . 6790 1
497 . 1 1 49 49 GLU CB C 13 29.512 0.114 . 1 . . . . 49 GLU CB . 6790 1
498 . 1 1 49 49 GLU CG C 13 37.019 0.188 . 1 . . . . 49 GLU CG . 6790 1
499 . 1 1 49 49 GLU N N 15 119.679 0.045 . 1 . . . . 49 GLU N . 6790 1
500 . 1 1 50 50 GLU H H 1 7.988 0.018 . 1 . . . . 50 GLU H . 6790 1
501 . 1 1 50 50 GLU HA H 1 4.120 0.013 . 1 . . . . 50 GLU HA . 6790 1
502 . 1 1 50 50 GLU HB2 H 1 2.227 0.027 . 2 . . . . 50 GLU HB2 . 6790 1
503 . 1 1 50 50 GLU HB3 H 1 2.227 0.027 . 2 . . . . 50 GLU HB3 . 6790 1
504 . 1 1 50 50 GLU HG2 H 1 2.417 0.005 . 2 . . . . 50 GLU HG2 . 6790 1
505 . 1 1 50 50 GLU HG3 H 1 2.417 0.005 . 2 . . . . 50 GLU HG3 . 6790 1
506 . 1 1 50 50 GLU C C 13 178.946 0.100 . 1 . . . . 50 GLU C . 6790 1
507 . 1 1 50 50 GLU CA C 13 58.937 0.029 . 1 . . . . 50 GLU CA . 6790 1
508 . 1 1 50 50 GLU CB C 13 29.780 0.011 . 1 . . . . 50 GLU CB . 6790 1
509 . 1 1 50 50 GLU CG C 13 35.907 0.050 . 1 . . . . 50 GLU CG . 6790 1
510 . 1 1 50 50 GLU N N 15 118.618 0.057 . 1 . . . . 50 GLU N . 6790 1
511 . 1 1 51 51 GLU H H 1 8.280 0.016 . 1 . . . . 51 GLU H . 6790 1
512 . 1 1 51 51 GLU HA H 1 3.962 0.020 . 1 . . . . 51 GLU HA . 6790 1
513 . 1 1 51 51 GLU HB2 H 1 2.085 0.017 . 2 . . . . 51 GLU HB2 . 6790 1
514 . 1 1 51 51 GLU HB3 H 1 1.711 0.018 . 2 . . . . 51 GLU HB3 . 6790 1
515 . 1 1 51 51 GLU HG2 H 1 1.288 0.005 . 2 . . . . 51 GLU HG2 . 6790 1
516 . 1 1 51 51 GLU HG3 H 1 1.842 0.005 . 2 . . . . 51 GLU HG3 . 6790 1
517 . 1 1 51 51 GLU C C 13 177.922 0.100 . 1 . . . . 51 GLU C . 6790 1
518 . 1 1 51 51 GLU CA C 13 58.532 0.083 . 1 . . . . 51 GLU CA . 6790 1
519 . 1 1 51 51 GLU CB C 13 29.658 0.091 . 1 . . . . 51 GLU CB . 6790 1
520 . 1 1 51 51 GLU CG C 13 34.662 0.031 . 1 . . . . 51 GLU CG . 6790 1
521 . 1 1 51 51 GLU N N 15 118.884 0.037 . 1 . . . . 51 GLU N . 6790 1
522 . 1 1 52 52 PHE H H 1 8.119 0.016 . 1 . . . . 52 PHE H . 6790 1
523 . 1 1 52 52 PHE HA H 1 4.588 0.019 . 1 . . . . 52 PHE HA . 6790 1
524 . 1 1 52 52 PHE HB2 H 1 3.246 0.020 . 1 . . . . 52 PHE HB2 . 6790 1
525 . 1 1 52 52 PHE HB3 H 1 2.805 0.021 . 1 . . . . 52 PHE HB3 . 6790 1
526 . 1 1 52 52 PHE HD1 H 1 7.586 0.030 . 3 . . . . 52 PHE HD1 . 6790 1
527 . 1 1 52 52 PHE HD2 H 1 7.586 0.030 . 3 . . . . 52 PHE HD2 . 6790 1
528 . 1 1 52 52 PHE HE1 H 1 7.289 0.030 . 3 . . . . 52 PHE HE1 . 6790 1
529 . 1 1 52 52 PHE HE2 H 1 7.289 0.030 . 3 . . . . 52 PHE HE2 . 6790 1
530 . 1 1 52 52 PHE C C 13 175.977 0.100 . 1 . . . . 52 PHE C . 6790 1
531 . 1 1 52 52 PHE CA C 13 59.302 0.077 . 1 . . . . 52 PHE CA . 6790 1
532 . 1 1 52 52 PHE CB C 13 40.329 0.048 . 1 . . . . 52 PHE CB . 6790 1
533 . 1 1 52 52 PHE N N 15 111.651 0.035 . 1 . . . . 52 PHE N . 6790 1
534 . 1 1 53 53 GLY H H 1 8.080 0.015 . 1 . . . . 53 GLY H . 6790 1
535 . 1 1 53 53 GLY HA2 H 1 4.024 0.009 . 2 . . . . 53 GLY HA2 . 6790 1
536 . 1 1 53 53 GLY HA3 H 1 3.940 0.020 . 2 . . . . 53 GLY HA3 . 6790 1
537 . 1 1 53 53 GLY C C 13 174.642 0.100 . 1 . . . . 53 GLY C . 6790 1
538 . 1 1 53 53 GLY CA C 13 47.417 0.086 . 1 . . . . 53 GLY CA . 6790 1
539 . 1 1 53 53 GLY N N 15 111.647 0.049 . 1 . . . . 53 GLY N . 6790 1
540 . 1 1 54 54 ILE H H 1 7.524 0.015 . 1 . . . . 54 ILE H . 6790 1
541 . 1 1 54 54 ILE HA H 1 4.684 0.016 . 1 . . . . 54 ILE HA . 6790 1
542 . 1 1 54 54 ILE HB H 1 1.866 0.012 . 1 . . . . 54 ILE HB . 6790 1
543 . 1 1 54 54 ILE HG12 H 1 1.328 0.005 . 1 . . . . 54 ILE HG12 . 6790 1
544 . 1 1 54 54 ILE HG13 H 1 1.079 0.005 . 1 . . . . 54 ILE HG13 . 6790 1
545 . 1 1 54 54 ILE HG21 H 1 0.856 0.016 . 1 . . . . 54 ILE QG2 . 6790 1
546 . 1 1 54 54 ILE HG22 H 1 0.856 0.016 . 1 . . . . 54 ILE QG2 . 6790 1
547 . 1 1 54 54 ILE HG23 H 1 0.856 0.016 . 1 . . . . 54 ILE QG2 . 6790 1
548 . 1 1 54 54 ILE HD11 H 1 0.763 0.005 . 1 . . . . 54 ILE QD1 . 6790 1
549 . 1 1 54 54 ILE HD12 H 1 0.763 0.005 . 1 . . . . 54 ILE QD1 . 6790 1
550 . 1 1 54 54 ILE HD13 H 1 0.763 0.005 . 1 . . . . 54 ILE QD1 . 6790 1
551 . 1 1 54 54 ILE C C 13 173.883 0.100 . 1 . . . . 54 ILE C . 6790 1
552 . 1 1 54 54 ILE CA C 13 58.733 0.077 . 1 . . . . 54 ILE CA . 6790 1
553 . 1 1 54 54 ILE CB C 13 42.057 0.054 . 1 . . . . 54 ILE CB . 6790 1
554 . 1 1 54 54 ILE CG1 C 13 26.127 0.041 . 1 . . . . 54 ILE CG1 . 6790 1
555 . 1 1 54 54 ILE CG2 C 13 18.706 0.029 . 1 . . . . 54 ILE CG2 . 6790 1
556 . 1 1 54 54 ILE CD1 C 13 15.022 0.008 . 1 . . . . 54 ILE CD1 . 6790 1
557 . 1 1 54 54 ILE N N 15 111.186 0.069 . 1 . . . . 54 ILE N . 6790 1
558 . 1 1 55 55 ASN H H 1 8.368 0.007 . 1 . . . . 55 ASN H . 6790 1
559 . 1 1 55 55 ASN HA H 1 5.066 0.015 . 1 . . . . 55 ASN HA . 6790 1
560 . 1 1 55 55 ASN HB2 H 1 2.695 0.018 . 2 . . . . 55 ASN HB2 . 6790 1
561 . 1 1 55 55 ASN HB3 H 1 2.525 0.014 . 2 . . . . 55 ASN HB3 . 6790 1
562 . 1 1 55 55 ASN HD21 H 1 7.638 0.005 . 1 . . . . 55 ASN HD21 . 6790 1
563 . 1 1 55 55 ASN HD22 H 1 6.889 0.005 . 1 . . . . 55 ASN HD22 . 6790 1
564 . 1 1 55 55 ASN CA C 13 52.640 0.086 . 1 . . . . 55 ASN CA . 6790 1
565 . 1 1 55 55 ASN CB C 13 41.279 0.097 . 1 . . . . 55 ASN CB . 6790 1
566 . 1 1 55 55 ASN N N 15 118.213 0.038 . 1 . . . . 55 ASN N . 6790 1
567 . 1 1 55 55 ASN ND2 N 15 113.198 0.044 . 1 . . . . 55 ASN ND2 . 6790 1
568 . 1 1 56 56 VAL H H 1 8.947 0.020 . 1 . . . . 56 VAL H . 6790 1
569 . 1 1 56 56 VAL HA H 1 4.175 0.020 . 1 . . . . 56 VAL HA . 6790 1
570 . 1 1 56 56 VAL HB H 1 1.938 0.019 . 1 . . . . 56 VAL HB . 6790 1
571 . 1 1 56 56 VAL HG11 H 1 0.826 0.005 . 2 . . . . 56 VAL QG1 . 6790 1
572 . 1 1 56 56 VAL HG12 H 1 0.826 0.005 . 2 . . . . 56 VAL QG1 . 6790 1
573 . 1 1 56 56 VAL HG13 H 1 0.826 0.005 . 2 . . . . 56 VAL QG1 . 6790 1
574 . 1 1 56 56 VAL HG21 H 1 0.826 0.005 . 2 . . . . 56 VAL QG2 . 6790 1
575 . 1 1 56 56 VAL HG22 H 1 0.826 0.005 . 2 . . . . 56 VAL QG2 . 6790 1
576 . 1 1 56 56 VAL HG23 H 1 0.826 0.005 . 2 . . . . 56 VAL QG2 . 6790 1
577 . 1 1 56 56 VAL C C 13 174.211 0.100 . 1 . . . . 56 VAL C . 6790 1
578 . 1 1 56 56 VAL CA C 13 60.687 0.108 . 1 . . . . 56 VAL CA . 6790 1
579 . 1 1 56 56 VAL CB C 13 33.716 0.065 . 1 . . . . 56 VAL CB . 6790 1
580 . 1 1 56 56 VAL CG1 C 13 21.114 0.050 . 1 . . . . 56 VAL CG1 . 6790 1
581 . 1 1 56 56 VAL N N 15 121.559 0.055 . 1 . . . . 56 VAL N . 6790 1
582 . 1 1 57 57 ASP H H 1 8.215 0.005 . 1 . . . . 57 ASP H . 6790 1
583 . 1 1 57 57 ASP HA H 1 4.637 0.019 . 1 . . . . 57 ASP HA . 6790 1
584 . 1 1 57 57 ASP HB2 H 1 2.635 0.016 . 2 . . . . 57 ASP HB2 . 6790 1
585 . 1 1 57 57 ASP HB3 H 1 2.813 0.020 . 2 . . . . 57 ASP HB3 . 6790 1
586 . 1 1 57 57 ASP C C 13 176.881 0.100 . 1 . . . . 57 ASP C . 6790 1
587 . 1 1 57 57 ASP CA C 13 53.801 0.107 . 1 . . . . 57 ASP CA . 6790 1
588 . 1 1 57 57 ASP CB C 13 41.449 0.115 . 1 . . . . 57 ASP CB . 6790 1
589 . 1 1 57 57 ASP N N 15 125.079 0.033 . 1 . . . . 57 ASP N . 6790 1
590 . 1 1 58 58 GLU H H 1 8.921 0.009 . 1 . . . . 58 GLU H . 6790 1
591 . 1 1 58 58 GLU HA H 1 3.910 0.018 . 1 . . . . 58 GLU HA . 6790 1
592 . 1 1 58 58 GLU HB2 H 1 2.076 0.012 . 2 . . . . 58 GLU HB2 . 6790 1
593 . 1 1 58 58 GLU HB3 H 1 2.076 0.012 . 2 . . . . 58 GLU HB3 . 6790 1
594 . 1 1 58 58 GLU HG2 H 1 2.329 0.018 . 2 . . . . 58 GLU HG2 . 6790 1
595 . 1 1 58 58 GLU HG3 H 1 2.329 0.018 . 2 . . . . 58 GLU HG3 . 6790 1
596 . 1 1 58 58 GLU C C 13 177.270 0.100 . 1 . . . . 58 GLU C . 6790 1
597 . 1 1 58 58 GLU CA C 13 59.041 0.090 . 1 . . . . 58 GLU CA . 6790 1
598 . 1 1 58 58 GLU CB C 13 29.544 0.094 . 1 . . . . 58 GLU CB . 6790 1
599 . 1 1 58 58 GLU CG C 13 36.064 0.066 . 1 . . . . 58 GLU CG . 6790 1
600 . 1 1 58 58 GLU N N 15 123.382 0.041 . 1 . . . . 58 GLU N . 6790 1
601 . 1 1 59 59 ASP H H 1 8.445 0.016 . 1 . . . . 59 ASP H . 6790 1
602 . 1 1 59 59 ASP HA H 1 4.464 0.017 . 1 . . . . 59 ASP HA . 6790 1
603 . 1 1 59 59 ASP HB2 H 1 2.705 0.017 . 2 . . . . 59 ASP HB2 . 6790 1
604 . 1 1 59 59 ASP HB3 H 1 2.705 0.017 . 2 . . . . 59 ASP HB3 . 6790 1
605 . 1 1 59 59 ASP C C 13 177.738 0.100 . 1 . . . . 59 ASP C . 6790 1
606 . 1 1 59 59 ASP CA C 13 55.803 0.095 . 1 . . . . 59 ASP CA . 6790 1
607 . 1 1 59 59 ASP CB C 13 40.375 0.031 . 1 . . . . 59 ASP CB . 6790 1
608 . 1 1 59 59 ASP N N 15 117.875 0.033 . 1 . . . . 59 ASP N . 6790 1
609 . 1 1 60 60 LYS H H 1 7.774 0.015 . 1 . . . . 60 LYS H . 6790 1
610 . 1 1 60 60 LYS HA H 1 4.272 0.012 . 1 . . . . 60 LYS HA . 6790 1
611 . 1 1 60 60 LYS HB2 H 1 2.003 0.010 . 2 . . . . 60 LYS HB2 . 6790 1
612 . 1 1 60 60 LYS HB3 H 1 1.887 0.005 . 2 . . . . 60 LYS HB3 . 6790 1
613 . 1 1 60 60 LYS HG2 H 1 1.587 0.016 . 2 . . . . 60 LYS HG2 . 6790 1
614 . 1 1 60 60 LYS HG3 H 1 1.587 0.016 . 2 . . . . 60 LYS HG3 . 6790 1
615 . 1 1 60 60 LYS HD2 H 1 1.689 0.005 . 2 . . . . 60 LYS HD2 . 6790 1
616 . 1 1 60 60 LYS HD3 H 1 1.689 0.005 . 2 . . . . 60 LYS HD3 . 6790 1
617 . 1 1 60 60 LYS HE2 H 1 3.058 0.005 . 2 . . . . 60 LYS HE2 . 6790 1
618 . 1 1 60 60 LYS HE3 H 1 3.058 0.005 . 2 . . . . 60 LYS HE3 . 6790 1
619 . 1 1 60 60 LYS C C 13 177.567 0.100 . 1 . . . . 60 LYS C . 6790 1
620 . 1 1 60 60 LYS CA C 13 56.411 0.095 . 1 . . . . 60 LYS CA . 6790 1
621 . 1 1 60 60 LYS CB C 13 32.568 0.022 . 1 . . . . 60 LYS CB . 6790 1
622 . 1 1 60 60 LYS CG C 13 24.980 0.035 . 1 . . . . 60 LYS CG . 6790 1
623 . 1 1 60 60 LYS CD C 13 28.493 0.050 . 1 . . . . 60 LYS CD . 6790 1
624 . 1 1 60 60 LYS CE C 13 42.140 0.050 . 1 . . . . 60 LYS CE . 6790 1
625 . 1 1 60 60 LYS N N 15 119.352 0.041 . 1 . . . . 60 LYS N . 6790 1
626 . 1 1 61 61 ALA H H 1 7.962 0.010 . 1 . . . . 61 ALA H . 6790 1
627 . 1 1 61 61 ALA HA H 1 4.128 0.022 . 1 . . . . 61 ALA HA . 6790 1
628 . 1 1 61 61 ALA HB1 H 1 1.328 0.019 . 1 . . . . 61 ALA QB . 6790 1
629 . 1 1 61 61 ALA HB2 H 1 1.328 0.019 . 1 . . . . 61 ALA QB . 6790 1
630 . 1 1 61 61 ALA HB3 H 1 1.328 0.019 . 1 . . . . 61 ALA QB . 6790 1
631 . 1 1 61 61 ALA C C 13 177.455 0.100 . 1 . . . . 61 ALA C . 6790 1
632 . 1 1 61 61 ALA CA C 13 53.300 0.080 . 1 . . . . 61 ALA CA . 6790 1
633 . 1 1 61 61 ALA CB C 13 18.896 0.091 . 1 . . . . 61 ALA CB . 6790 1
634 . 1 1 61 61 ALA N N 15 121.158 0.083 . 1 . . . . 61 ALA N . 6790 1
635 . 1 1 62 62 GLN H H 1 7.638 0.014 . 1 . . . . 62 GLN H . 6790 1
636 . 1 1 62 62 GLN HA H 1 4.121 0.020 . 1 . . . . 62 GLN HA . 6790 1
637 . 1 1 62 62 GLN HB2 H 1 2.060 0.016 . 2 . . . . 62 GLN HB2 . 6790 1
638 . 1 1 62 62 GLN HB3 H 1 2.060 0.016 . 2 . . . . 62 GLN HB3 . 6790 1
639 . 1 1 62 62 GLN HG2 H 1 2.434 0.010 . 2 . . . . 62 GLN HG2 . 6790 1
640 . 1 1 62 62 GLN HG3 H 1 2.434 0.010 . 2 . . . . 62 GLN HG3 . 6790 1
641 . 1 1 62 62 GLN HE21 H 1 7.633 0.005 . 1 . . . . 62 GLN HE21 . 6790 1
642 . 1 1 62 62 GLN HE22 H 1 6.856 0.005 . 1 . . . . 62 GLN HE22 . 6790 1
643 . 1 1 62 62 GLN C C 13 175.861 0.100 . 1 . . . . 62 GLN C . 6790 1
644 . 1 1 62 62 GLN CA C 13 57.015 0.094 . 1 . . . . 62 GLN CA . 6790 1
645 . 1 1 62 62 GLN CB C 13 29.144 0.051 . 1 . . . . 62 GLN CB . 6790 1
646 . 1 1 62 62 GLN CG C 13 33.558 0.063 . 1 . . . . 62 GLN CG . 6790 1
647 . 1 1 62 62 GLN N N 15 114.449 0.024 . 1 . . . . 62 GLN N . 6790 1
648 . 1 1 62 62 GLN NE2 N 15 112.262 0.101 . 1 . . . . 62 GLN NE2 . 6790 1
649 . 1 1 63 63 ASP H H 1 8.009 0.015 . 1 . . . . 63 ASP H . 6790 1
650 . 1 1 63 63 ASP HA H 1 4.671 0.015 . 1 . . . . 63 ASP HA . 6790 1
651 . 1 1 63 63 ASP HB2 H 1 2.634 0.017 . 2 . . . . 63 ASP HB2 . 6790 1
652 . 1 1 63 63 ASP HB3 H 1 2.873 0.013 . 2 . . . . 63 ASP HB3 . 6790 1
653 . 1 1 63 63 ASP C C 13 175.505 0.100 . 1 . . . . 63 ASP C . 6790 1
654 . 1 1 63 63 ASP CA C 13 54.353 0.118 . 1 . . . . 63 ASP CA . 6790 1
655 . 1 1 63 63 ASP CB C 13 40.864 0.090 . 1 . . . . 63 ASP CB . 6790 1
656 . 1 1 63 63 ASP N N 15 117.951 0.032 . 1 . . . . 63 ASP N . 6790 1
657 . 1 1 64 64 ILE H H 1 7.633 0.014 . 1 . . . . 64 ILE H . 6790 1
658 . 1 1 64 64 ILE HA H 1 4.098 0.018 . 1 . . . . 64 ILE HA . 6790 1
659 . 1 1 64 64 ILE HB H 1 2.054 0.016 . 1 . . . . 64 ILE HB . 6790 1
660 . 1 1 64 64 ILE HG12 H 1 1.569 0.005 . 1 . . . . 64 ILE HG12 . 6790 1
661 . 1 1 64 64 ILE HG13 H 1 1.188 0.005 . 1 . . . . 64 ILE HG13 . 6790 1
662 . 1 1 64 64 ILE HG21 H 1 1.005 0.005 . 1 . . . . 64 ILE QG2 . 6790 1
663 . 1 1 64 64 ILE HG22 H 1 1.005 0.005 . 1 . . . . 64 ILE QG2 . 6790 1
664 . 1 1 64 64 ILE HG23 H 1 1.005 0.005 . 1 . . . . 64 ILE QG2 . 6790 1
665 . 1 1 64 64 ILE HD11 H 1 0.838 0.009 . 1 . . . . 64 ILE QD1 . 6790 1
666 . 1 1 64 64 ILE HD12 H 1 0.838 0.009 . 1 . . . . 64 ILE QD1 . 6790 1
667 . 1 1 64 64 ILE HD13 H 1 0.838 0.009 . 1 . . . . 64 ILE QD1 . 6790 1
668 . 1 1 64 64 ILE C C 13 175.254 0.100 . 1 . . . . 64 ILE C . 6790 1
669 . 1 1 64 64 ILE CA C 13 60.972 0.092 . 1 . . . . 64 ILE CA . 6790 1
670 . 1 1 64 64 ILE CB C 13 37.522 0.090 . 1 . . . . 64 ILE CB . 6790 1
671 . 1 1 64 64 ILE CG1 C 13 27.247 0.180 . 1 . . . . 64 ILE CG1 . 6790 1
672 . 1 1 64 64 ILE CG2 C 13 18.558 0.019 . 1 . . . . 64 ILE CG2 . 6790 1
673 . 1 1 64 64 ILE CD1 C 13 13.214 0.037 . 1 . . . . 64 ILE CD1 . 6790 1
674 . 1 1 64 64 ILE N N 15 121.697 0.060 . 1 . . . . 64 ILE N . 6790 1
675 . 1 1 65 65 SER H H 1 9.012 0.013 . 1 . . . . 65 SER H . 6790 1
676 . 1 1 65 65 SER HA H 1 4.975 0.014 . 1 . . . . 65 SER HA . 6790 1
677 . 1 1 65 65 SER HB2 H 1 4.032 0.012 . 2 . . . . 65 SER HB2 . 6790 1
678 . 1 1 65 65 SER HB3 H 1 4.119 0.020 . 2 . . . . 65 SER HB3 . 6790 1
679 . 1 1 65 65 SER CA C 13 59.658 0.088 . 1 . . . . 65 SER CA . 6790 1
680 . 1 1 65 65 SER CB C 13 65.307 0.071 . 1 . . . . 65 SER CB . 6790 1
681 . 1 1 65 65 SER N N 15 119.643 0.033 . 1 . . . . 65 SER N . 6790 1
682 . 1 1 66 66 THR H H 1 7.765 0.005 . 1 . . . . 66 THR H . 6790 1
683 . 1 1 66 66 THR HA H 1 5.301 0.019 . 1 . . . . 66 THR HA . 6790 1
684 . 1 1 66 66 THR HB H 1 4.522 0.005 . 1 . . . . 66 THR HB . 6790 1
685 . 1 1 66 66 THR HG21 H 1 1.117 0.005 . 1 . . . . 66 THR QG2 . 6790 1
686 . 1 1 66 66 THR HG22 H 1 1.117 0.005 . 1 . . . . 66 THR QG2 . 6790 1
687 . 1 1 66 66 THR HG23 H 1 1.117 0.005 . 1 . . . . 66 THR QG2 . 6790 1
688 . 1 1 66 66 THR CA C 13 58.723 0.088 . 1 . . . . 66 THR CA . 6790 1
689 . 1 1 66 66 THR CB C 13 73.589 0.062 . 1 . . . . 66 THR CB . 6790 1
690 . 1 1 66 66 THR CG2 C 13 21.664 0.050 . 1 . . . . 66 THR CG2 . 6790 1
691 . 1 1 66 66 THR N N 15 110.867 0.050 . 1 . . . . 66 THR N . 6790 1
692 . 1 1 67 67 ILE H H 1 7.568 0.005 . 1 . . . . 67 ILE H . 6790 1
693 . 1 1 67 67 ILE HA H 1 3.547 0.019 . 1 . . . . 67 ILE HA . 6790 1
694 . 1 1 67 67 ILE HB H 1 2.244 0.015 . 1 . . . . 67 ILE HB . 6790 1
695 . 1 1 67 67 ILE HG12 H 1 1.338 0.004 . 1 . . . . 67 ILE HG12 . 6790 1
696 . 1 1 67 67 ILE HG13 H 1 1.077 0.005 . 1 . . . . 67 ILE HG13 . 6790 1
697 . 1 1 67 67 ILE HG21 H 1 0.805 0.005 . 1 . . . . 67 ILE QG2 . 6790 1
698 . 1 1 67 67 ILE HG22 H 1 0.805 0.005 . 1 . . . . 67 ILE QG2 . 6790 1
699 . 1 1 67 67 ILE HG23 H 1 0.805 0.005 . 1 . . . . 67 ILE QG2 . 6790 1
700 . 1 1 67 67 ILE HD11 H 1 0.477 0.005 . 1 . . . . 67 ILE QD1 . 6790 1
701 . 1 1 67 67 ILE HD12 H 1 0.477 0.005 . 1 . . . . 67 ILE QD1 . 6790 1
702 . 1 1 67 67 ILE HD13 H 1 0.477 0.005 . 1 . . . . 67 ILE QD1 . 6790 1
703 . 1 1 67 67 ILE C C 13 177.853 0.100 . 1 . . . . 67 ILE C . 6790 1
704 . 1 1 67 67 ILE CA C 13 64.194 0.085 . 1 . . . . 67 ILE CA . 6790 1
705 . 1 1 67 67 ILE CB C 13 35.766 0.063 . 1 . . . . 67 ILE CB . 6790 1
706 . 1 1 67 67 ILE CG1 C 13 28.418 0.031 . 1 . . . . 67 ILE CG1 . 6790 1
707 . 1 1 67 67 ILE CG2 C 13 17.404 0.012 . 1 . . . . 67 ILE CG2 . 6790 1
708 . 1 1 67 67 ILE CD1 C 13 11.239 0.038 . 1 . . . . 67 ILE CD1 . 6790 1
709 . 1 1 67 67 ILE N N 15 121.527 0.419 . 1 . . . . 67 ILE N . 6790 1
710 . 1 1 68 68 GLN H H 1 9.171 0.011 . 1 . . . . 68 GLN H . 6790 1
711 . 1 1 68 68 GLN HA H 1 3.702 0.020 . 1 . . . . 68 GLN HA . 6790 1
712 . 1 1 68 68 GLN HB2 H 1 1.972 0.005 . 1 . . . . 68 GLN HB2 . 6790 1
713 . 1 1 68 68 GLN HB3 H 1 2.275 0.005 . 1 . . . . 68 GLN HB3 . 6790 1
714 . 1 1 68 68 GLN HG2 H 1 2.158 0.005 . 1 . . . . 68 GLN HG2 . 6790 1
715 . 1 1 68 68 GLN HG3 H 1 2.387 0.005 . 1 . . . . 68 GLN HG3 . 6790 1
716 . 1 1 68 68 GLN HE21 H 1 7.694 0.005 . 1 . . . . 68 GLN HE21 . 6790 1
717 . 1 1 68 68 GLN HE22 H 1 6.908 0.020 . 1 . . . . 68 GLN HE22 . 6790 1
718 . 1 1 68 68 GLN C C 13 177.005 0.100 . 1 . . . . 68 GLN C . 6790 1
719 . 1 1 68 68 GLN CA C 13 59.456 0.074 . 1 . . . . 68 GLN CA . 6790 1
720 . 1 1 68 68 GLN CB C 13 28.818 0.057 . 1 . . . . 68 GLN CB . 6790 1
721 . 1 1 68 68 GLN CG C 13 33.207 0.046 . 1 . . . . 68 GLN CG . 6790 1
722 . 1 1 68 68 GLN N N 15 119.071 0.029 . 1 . . . . 68 GLN N . 6790 1
723 . 1 1 68 68 GLN NE2 N 15 112.936 0.148 . 1 . . . . 68 GLN NE2 . 6790 1
724 . 1 1 69 69 GLN H H 1 7.904 0.014 . 1 . . . . 69 GLN H . 6790 1
725 . 1 1 69 69 GLN HA H 1 4.247 0.018 . 1 . . . . 69 GLN HA . 6790 1
726 . 1 1 69 69 GLN HB2 H 1 2.465 0.018 . 1 . . . . 69 GLN HB2 . 6790 1
727 . 1 1 69 69 GLN HB3 H 1 2.164 0.005 . 1 . . . . 69 GLN HB3 . 6790 1
728 . 1 1 69 69 GLN HG2 H 1 2.558 0.005 . 2 . . . . 69 GLN HG2 . 6790 1
729 . 1 1 69 69 GLN HG3 H 1 2.558 0.005 . 2 . . . . 69 GLN HG3 . 6790 1
730 . 1 1 69 69 GLN HE21 H 1 7.551 0.010 . 1 . . . . 69 GLN HE21 . 6790 1
731 . 1 1 69 69 GLN HE22 H 1 7.027 0.010 . 1 . . . . 69 GLN HE22 . 6790 1
732 . 1 1 69 69 GLN C C 13 179.435 0.100 . 1 . . . . 69 GLN C . 6790 1
733 . 1 1 69 69 GLN CA C 13 58.493 0.081 . 1 . . . . 69 GLN CA . 6790 1
734 . 1 1 69 69 GLN CB C 13 28.972 0.078 . 1 . . . . 69 GLN CB . 6790 1
735 . 1 1 69 69 GLN CG C 13 34.118 0.040 . 1 . . . . 69 GLN CG . 6790 1
736 . 1 1 69 69 GLN N N 15 117.201 0.025 . 1 . . . . 69 GLN N . 6790 1
737 . 1 1 69 69 GLN NE2 N 15 111.039 0.056 . 1 . . . . 69 GLN NE2 . 6790 1
738 . 1 1 70 70 ALA H H 1 8.209 0.016 . 1 . . . . 70 ALA H . 6790 1
739 . 1 1 70 70 ALA HA H 1 3.958 0.016 . 1 . . . . 70 ALA HA . 6790 1
740 . 1 1 70 70 ALA HB1 H 1 1.659 0.021 . 1 . . . . 70 ALA QB . 6790 1
741 . 1 1 70 70 ALA HB2 H 1 1.659 0.021 . 1 . . . . 70 ALA QB . 6790 1
742 . 1 1 70 70 ALA HB3 H 1 1.659 0.021 . 1 . . . . 70 ALA QB . 6790 1
743 . 1 1 70 70 ALA C C 13 178.197 0.100 . 1 . . . . 70 ALA C . 6790 1
744 . 1 1 70 70 ALA CA C 13 55.356 0.083 . 1 . . . . 70 ALA CA . 6790 1
745 . 1 1 70 70 ALA CB C 13 18.481 0.062 . 1 . . . . 70 ALA CB . 6790 1
746 . 1 1 70 70 ALA N N 15 121.349 0.036 . 1 . . . . 70 ALA N . 6790 1
747 . 1 1 71 71 ALA H H 1 8.658 0.012 . 1 . . . . 71 ALA H . 6790 1
748 . 1 1 71 71 ALA HA H 1 3.776 0.018 . 1 . . . . 71 ALA HA . 6790 1
749 . 1 1 71 71 ALA HB1 H 1 1.261 0.019 . 1 . . . . 71 ALA QB . 6790 1
750 . 1 1 71 71 ALA HB2 H 1 1.261 0.019 . 1 . . . . 71 ALA QB . 6790 1
751 . 1 1 71 71 ALA HB3 H 1 1.261 0.019 . 1 . . . . 71 ALA QB . 6790 1
752 . 1 1 71 71 ALA C C 13 178.390 0.100 . 1 . . . . 71 ALA C . 6790 1
753 . 1 1 71 71 ALA CA C 13 55.080 0.084 . 1 . . . . 71 ALA CA . 6790 1
754 . 1 1 71 71 ALA CB C 13 19.271 0.105 . 1 . . . . 71 ALA CB . 6790 1
755 . 1 1 71 71 ALA N N 15 118.961 0.046 . 1 . . . . 71 ALA N . 6790 1
756 . 1 1 72 72 ASP H H 1 8.588 0.020 . 1 . . . . 72 ASP H . 6790 1
757 . 1 1 72 72 ASP HA H 1 4.523 0.017 . 1 . . . . 72 ASP HA . 6790 1
758 . 1 1 72 72 ASP HB2 H 1 2.786 0.017 . 2 . . . . 72 ASP HB2 . 6790 1
759 . 1 1 72 72 ASP HB3 H 1 2.662 0.009 . 2 . . . . 72 ASP HB3 . 6790 1
760 . 1 1 72 72 ASP C C 13 179.950 0.100 . 1 . . . . 72 ASP C . 6790 1
761 . 1 1 72 72 ASP CA C 13 57.962 0.078 . 1 . . . . 72 ASP CA . 6790 1
762 . 1 1 72 72 ASP CB C 13 40.075 0.056 . 1 . . . . 72 ASP CB . 6790 1
763 . 1 1 72 72 ASP N N 15 118.606 0.039 . 1 . . . . 72 ASP N . 6790 1
764 . 1 1 73 73 VAL H H 1 8.128 0.017 . 1 . . . . 73 VAL H . 6790 1
765 . 1 1 73 73 VAL HA H 1 3.739 0.018 . 1 . . . . 73 VAL HA . 6790 1
766 . 1 1 73 73 VAL HB H 1 2.253 0.016 . 1 . . . . 73 VAL HB . 6790 1
767 . 1 1 73 73 VAL HG11 H 1 1.127 0.016 . 2 . . . . 73 VAL QG1 . 6790 1
768 . 1 1 73 73 VAL HG12 H 1 1.127 0.016 . 2 . . . . 73 VAL QG1 . 6790 1
769 . 1 1 73 73 VAL HG13 H 1 1.127 0.016 . 2 . . . . 73 VAL QG1 . 6790 1
770 . 1 1 73 73 VAL HG21 H 1 0.908 0.009 . 2 . . . . 73 VAL QG2 . 6790 1
771 . 1 1 73 73 VAL HG22 H 1 0.908 0.009 . 2 . . . . 73 VAL QG2 . 6790 1
772 . 1 1 73 73 VAL HG23 H 1 0.908 0.009 . 2 . . . . 73 VAL QG2 . 6790 1
773 . 1 1 73 73 VAL CA C 13 66.490 0.073 . 1 . . . . 73 VAL CA . 6790 1
774 . 1 1 73 73 VAL CB C 13 31.431 0.093 . 1 . . . . 73 VAL CB . 6790 1
775 . 1 1 73 73 VAL CG1 C 13 23.466 0.066 . 1 . . . . 73 VAL CG1 . 6790 1
776 . 1 1 73 73 VAL CG2 C 13 21.219 0.032 . 1 . . . . 73 VAL CG2 . 6790 1
777 . 1 1 73 73 VAL N N 15 122.997 0.048 . 1 . . . . 73 VAL N . 6790 1
778 . 1 1 74 74 ILE H H 1 8.211 0.016 . 1 . . . . 74 ILE H . 6790 1
779 . 1 1 74 74 ILE HA H 1 3.235 0.019 . 1 . . . . 74 ILE HA . 6790 1
780 . 1 1 74 74 ILE HB H 1 1.637 0.005 . 1 . . . . 74 ILE HB . 6790 1
781 . 1 1 74 74 ILE HG12 H 1 1.642 0.005 . 1 . . . . 74 ILE HG12 . 6790 1
782 . 1 1 74 74 ILE HG13 H 1 0.594 0.010 . 1 . . . . 74 ILE HG13 . 6790 1
783 . 1 1 74 74 ILE HG21 H 1 -0.129 0.005 . 1 . . . . 74 ILE QG2 . 6790 1
784 . 1 1 74 74 ILE HG22 H 1 -0.129 0.005 . 1 . . . . 74 ILE QG2 . 6790 1
785 . 1 1 74 74 ILE HG23 H 1 -0.129 0.005 . 1 . . . . 74 ILE QG2 . 6790 1
786 . 1 1 74 74 ILE HD11 H 1 0.525 0.005 . 1 . . . . 74 ILE QD1 . 6790 1
787 . 1 1 74 74 ILE HD12 H 1 0.525 0.005 . 1 . . . . 74 ILE QD1 . 6790 1
788 . 1 1 74 74 ILE HD13 H 1 0.525 0.005 . 1 . . . . 74 ILE QD1 . 6790 1
789 . 1 1 74 74 ILE C C 13 177.333 0.100 . 1 . . . . 74 ILE C . 6790 1
790 . 1 1 74 74 ILE CA C 13 65.866 0.122 . 1 . . . . 74 ILE CA . 6790 1
791 . 1 1 74 74 ILE CB C 13 37.787 0.061 . 1 . . . . 74 ILE CB . 6790 1
792 . 1 1 74 74 ILE CG1 C 13 29.998 0.015 . 1 . . . . 74 ILE CG1 . 6790 1
793 . 1 1 74 74 ILE CG2 C 13 15.470 0.012 . 1 . . . . 74 ILE CG2 . 6790 1
794 . 1 1 74 74 ILE CD1 C 13 15.158 0.006 . 1 . . . . 74 ILE CD1 . 6790 1
795 . 1 1 74 74 ILE N N 15 121.345 0.064 . 1 . . . . 74 ILE N . 6790 1
796 . 1 1 75 75 GLU H H 1 8.359 0.015 . 1 . . . . 75 GLU H . 6790 1
797 . 1 1 75 75 GLU HA H 1 3.856 0.018 . 1 . . . . 75 GLU HA . 6790 1
798 . 1 1 75 75 GLU HB2 H 1 2.132 0.014 . 2 . . . . 75 GLU HB2 . 6790 1
799 . 1 1 75 75 GLU HB3 H 1 2.132 0.014 . 2 . . . . 75 GLU HB3 . 6790 1
800 . 1 1 75 75 GLU HG2 H 1 2.282 0.005 . 2 . . . . 75 GLU HG2 . 6790 1
801 . 1 1 75 75 GLU HG3 H 1 2.800 0.005 . 2 . . . . 75 GLU HG3 . 6790 1
802 . 1 1 75 75 GLU C C 13 180.065 0.100 . 1 . . . . 75 GLU C . 6790 1
803 . 1 1 75 75 GLU CA C 13 60.379 0.077 . 1 . . . . 75 GLU CA . 6790 1
804 . 1 1 75 75 GLU CB C 13 29.013 0.073 . 1 . . . . 75 GLU CB . 6790 1
805 . 1 1 75 75 GLU CG C 13 37.505 0.050 . 1 . . . . 75 GLU CG . 6790 1
806 . 1 1 75 75 GLU N N 15 117.342 0.033 . 1 . . . . 75 GLU N . 6790 1
807 . 1 1 76 76 GLY H H 1 8.051 0.014 . 1 . . . . 76 GLY H . 6790 1
808 . 1 1 76 76 GLY HA2 H 1 3.960 0.015 . 2 . . . . 76 GLY HA2 . 6790 1
809 . 1 1 76 76 GLY HA3 H 1 3.960 0.015 . 2 . . . . 76 GLY HA3 . 6790 1
810 . 1 1 76 76 GLY C C 13 179.267 0.100 . 1 . . . . 76 GLY C . 6790 1
811 . 1 1 76 76 GLY CA C 13 47.065 0.053 . 1 . . . . 76 GLY CA . 6790 1
812 . 1 1 76 76 GLY N N 15 106.516 0.060 . 1 . . . . 76 GLY N . 6790 1
813 . 1 1 77 77 LEU H H 1 7.885 0.016 . 1 . . . . 77 LEU H . 6790 1
814 . 1 1 77 77 LEU HA H 1 4.240 0.020 . 1 . . . . 77 LEU HA . 6790 1
815 . 1 1 77 77 LEU HB2 H 1 1.417 0.011 . 1 . . . . 77 LEU HB2 . 6790 1
816 . 1 1 77 77 LEU HB3 H 1 2.036 0.018 . 1 . . . . 77 LEU HB3 . 6790 1
817 . 1 1 77 77 LEU HG H 1 1.875 0.005 . 1 . . . . 77 LEU HG . 6790 1
818 . 1 1 77 77 LEU HD11 H 1 0.979 0.006 . 1 . . . . 77 LEU QD1 . 6790 1
819 . 1 1 77 77 LEU HD12 H 1 0.979 0.006 . 1 . . . . 77 LEU QD1 . 6790 1
820 . 1 1 77 77 LEU HD13 H 1 0.979 0.006 . 1 . . . . 77 LEU QD1 . 6790 1
821 . 1 1 77 77 LEU HD21 H 1 0.847 0.005 . 1 . . . . 77 LEU QD2 . 6790 1
822 . 1 1 77 77 LEU HD22 H 1 0.847 0.005 . 1 . . . . 77 LEU QD2 . 6790 1
823 . 1 1 77 77 LEU HD23 H 1 0.847 0.005 . 1 . . . . 77 LEU QD2 . 6790 1
824 . 1 1 77 77 LEU C C 13 180.266 0.100 . 1 . . . . 77 LEU C . 6790 1
825 . 1 1 77 77 LEU CA C 13 57.179 0.083 . 1 . . . . 77 LEU CA . 6790 1
826 . 1 1 77 77 LEU CB C 13 42.126 0.039 . 1 . . . . 77 LEU CB . 6790 1
827 . 1 1 77 77 LEU CG C 13 26.956 0.109 . 1 . . . . 77 LEU CG . 6790 1
828 . 1 1 77 77 LEU CD1 C 13 22.392 0.078 . 1 . . . . 77 LEU CD1 . 6790 1
829 . 1 1 77 77 LEU CD2 C 13 26.834 0.071 . 1 . . . . 77 LEU CD2 . 6790 1
830 . 1 1 77 77 LEU N N 15 122.263 0.105 . 1 . . . . 77 LEU N . 6790 1
831 . 1 1 78 78 LEU H H 1 8.276 0.012 . 1 . . . . 78 LEU H . 6790 1
832 . 1 1 78 78 LEU HA H 1 4.119 0.018 . 1 . . . . 78 LEU HA . 6790 1
833 . 1 1 78 78 LEU HB2 H 1 1.982 0.020 . 1 . . . . 78 LEU HB2 . 6790 1
834 . 1 1 78 78 LEU HB3 H 1 1.579 0.016 . 1 . . . . 78 LEU HB3 . 6790 1
835 . 1 1 78 78 LEU HG H 1 1.857 0.006 . 1 . . . . 78 LEU HG . 6790 1
836 . 1 1 78 78 LEU HD11 H 1 0.987 0.005 . 1 . . . . 78 LEU QD1 . 6790 1
837 . 1 1 78 78 LEU HD12 H 1 0.987 0.005 . 1 . . . . 78 LEU QD1 . 6790 1
838 . 1 1 78 78 LEU HD13 H 1 0.987 0.005 . 1 . . . . 78 LEU QD1 . 6790 1
839 . 1 1 78 78 LEU HD21 H 1 1.068 0.005 . 1 . . . . 78 LEU QD2 . 6790 1
840 . 1 1 78 78 LEU HD22 H 1 1.068 0.005 . 1 . . . . 78 LEU QD2 . 6790 1
841 . 1 1 78 78 LEU HD23 H 1 1.068 0.005 . 1 . . . . 78 LEU QD2 . 6790 1
842 . 1 1 78 78 LEU C C 13 179.307 0.100 . 1 . . . . 78 LEU C . 6790 1
843 . 1 1 78 78 LEU CA C 13 57.034 0.066 . 1 . . . . 78 LEU CA . 6790 1
844 . 1 1 78 78 LEU CB C 13 42.245 0.070 . 1 . . . . 78 LEU CB . 6790 1
845 . 1 1 78 78 LEU CG C 13 26.575 0.228 . 1 . . . . 78 LEU CG . 6790 1
846 . 1 1 78 78 LEU CD1 C 13 26.089 0.054 . 1 . . . . 78 LEU CD1 . 6790 1
847 . 1 1 78 78 LEU CD2 C 13 23.293 0.009 . 1 . . . . 78 LEU CD2 . 6790 1
848 . 1 1 78 78 LEU N N 15 120.706 0.109 . 1 . . . . 78 LEU N . 6790 1
849 . 1 1 79 79 GLU H H 1 7.764 0.015 . 1 . . . . 79 GLU H . 6790 1
850 . 1 1 79 79 GLU HA H 1 4.188 0.018 . 1 . . . . 79 GLU HA . 6790 1
851 . 1 1 79 79 GLU HB2 H 1 2.172 0.017 . 2 . . . . 79 GLU HB2 . 6790 1
852 . 1 1 79 79 GLU HB3 H 1 2.172 0.017 . 2 . . . . 79 GLU HB3 . 6790 1
853 . 1 1 79 79 GLU HG2 H 1 2.371 0.010 . 1 . . . . 79 GLU HG2 . 6790 1
854 . 1 1 79 79 GLU HG3 H 1 2.500 0.013 . 1 . . . . 79 GLU HG3 . 6790 1
855 . 1 1 79 79 GLU C C 13 177.260 0.100 . 1 . . . . 79 GLU C . 6790 1
856 . 1 1 79 79 GLU CA C 13 57.822 0.070 . 1 . . . . 79 GLU CA . 6790 1
857 . 1 1 79 79 GLU CB C 13 29.892 0.070 . 1 . . . . 79 GLU CB . 6790 1
858 . 1 1 79 79 GLU CG C 13 36.103 0.092 . 1 . . . . 79 GLU CG . 6790 1
859 . 1 1 79 79 GLU N N 15 118.815 0.036 . 1 . . . . 79 GLU N . 6790 1
860 . 1 1 80 80 LYS H H 1 7.623 0.016 . 1 . . . . 80 LYS H . 6790 1
861 . 1 1 80 80 LYS HA H 1 4.325 0.011 . 1 . . . . 80 LYS HA . 6790 1
862 . 1 1 80 80 LYS HB2 H 1 1.859 0.005 . 1 . . . . 80 LYS HB2 . 6790 1
863 . 1 1 80 80 LYS HB3 H 1 1.991 0.005 . 1 . . . . 80 LYS HB3 . 6790 1
864 . 1 1 80 80 LYS HG2 H 1 1.574 0.010 . 2 . . . . 80 LYS HG2 . 6790 1
865 . 1 1 80 80 LYS HD2 H 1 1.726 0.005 . 2 . . . . 80 LYS HD2 . 6790 1
866 . 1 1 80 80 LYS HD3 H 1 1.726 0.005 . 2 . . . . 80 LYS HD3 . 6790 1
867 . 1 1 80 80 LYS HE2 H 1 3.032 0.005 . 2 . . . . 80 LYS HE2 . 6790 1
868 . 1 1 80 80 LYS HE3 H 1 3.032 0.005 . 2 . . . . 80 LYS HE3 . 6790 1
869 . 1 1 80 80 LYS C C 13 176.567 0.100 . 1 . . . . 80 LYS C . 6790 1
870 . 1 1 80 80 LYS CA C 13 56.335 0.093 . 1 . . . . 80 LYS CA . 6790 1
871 . 1 1 80 80 LYS CB C 13 32.738 0.071 . 1 . . . . 80 LYS CB . 6790 1
872 . 1 1 80 80 LYS CG C 13 24.797 0.050 . 1 . . . . 80 LYS CG . 6790 1
873 . 1 1 80 80 LYS CD C 13 29.028 0.050 . 1 . . . . 80 LYS CD . 6790 1
874 . 1 1 80 80 LYS CE C 13 42.146 0.050 . 1 . . . . 80 LYS CE . 6790 1
875 . 1 1 80 80 LYS N N 15 118.680 0.040 . 1 . . . . 80 LYS N . 6790 1
876 . 1 1 81 81 LYS H H 1 7.852 0.018 . 1 . . . . 81 LYS H . 6790 1
877 . 1 1 81 81 LYS HA H 1 4.327 0.011 . 1 . . . . 81 LYS HA . 6790 1
878 . 1 1 81 81 LYS HB2 H 1 1.840 0.005 . 2 . . . . 81 LYS HB2 . 6790 1
879 . 1 1 81 81 LYS HB3 H 1 1.942 0.020 . 2 . . . . 81 LYS HB3 . 6790 1
880 . 1 1 81 81 LYS HG2 H 1 1.560 0.021 . 2 . . . . 81 LYS HG2 . 6790 1
881 . 1 1 81 81 LYS HG3 H 1 1.560 0.021 . 2 . . . . 81 LYS HG3 . 6790 1
882 . 1 1 81 81 LYS C C 13 175.460 0.100 . 1 . . . . 81 LYS C . 6790 1
883 . 1 1 81 81 LYS CA C 13 56.514 0.114 . 1 . . . . 81 LYS CA . 6790 1
884 . 1 1 81 81 LYS CB C 13 33.073 0.054 . 1 . . . . 81 LYS CB . 6790 1
885 . 1 1 81 81 LYS CG C 13 24.616 0.050 . 1 . . . . 81 LYS CG . 6790 1
886 . 1 1 81 81 LYS CD C 13 29.383 0.050 . 1 . . . . 81 LYS CD . 6790 1
887 . 1 1 81 81 LYS CE C 13 42.161 0.050 . 1 . . . . 81 LYS CE . 6790 1
888 . 1 1 81 81 LYS N N 15 122.002 0.045 . 1 . . . . 81 LYS N . 6790 1
889 . 1 1 82 82 ALA H H 1 7.989 0.014 . 1 . . . . 82 ALA H . 6790 1
890 . 1 1 82 82 ALA HA H 1 4.154 0.017 . 1 . . . . 82 ALA HA . 6790 1
891 . 1 1 82 82 ALA HB1 H 1 1.404 0.010 . 1 . . . . 82 ALA QB . 6790 1
892 . 1 1 82 82 ALA HB2 H 1 1.404 0.010 . 1 . . . . 82 ALA QB . 6790 1
893 . 1 1 82 82 ALA HB3 H 1 1.404 0.010 . 1 . . . . 82 ALA QB . 6790 1
894 . 1 1 82 82 ALA CA C 13 53.943 0.078 . 1 . . . . 82 ALA CA . 6790 1
895 . 1 1 82 82 ALA CB C 13 20.102 0.060 . 1 . . . . 82 ALA CB . 6790 1
896 . 1 1 82 82 ALA N N 15 131.258 0.037 . 1 . . . . 82 ALA N . 6790 1
897 . 2 2 1 1 PNS H281 H 1 3.410 0.013 . 2 . . . . 98 PN2 1H28 . 6790 1
898 . 2 2 1 1 PNS H282 H 1 3.777 0.011 . 2 . . . . 98 PN2 2H28 . 6790 1
899 . 2 2 1 1 PNS H301 H 1 0.952 0.005 . 4 . . . . 98 PN2 Q30 . 6790 1
900 . 2 2 1 1 PNS H302 H 1 0.952 0.005 . 4 . . . . 98 PN2 Q30 . 6790 1
901 . 2 2 1 1 PNS H303 H 1 0.952 0.005 . 4 . . . . 98 PN2 Q30 . 6790 1
902 . 2 2 1 1 PNS H311 H 1 0.880 0.005 . 4 . . . . 98 PN2 Q31 . 6790 1
903 . 2 2 1 1 PNS H312 H 1 0.880 0.005 . 4 . . . . 98 PN2 Q31 . 6790 1
904 . 2 2 1 1 PNS H313 H 1 0.880 0.005 . 4 . . . . 98 PN2 Q31 . 6790 1
905 . 2 2 1 1 PNS H32 H 1 4.030 0.005 . 1 . . . . 98 PN2 H32 . 6790 1
906 . 2 2 1 1 PNS H36 H 1 8.108 0.007 . 1 . . . . 98 PN2 H36 . 6790 1
907 . 2 2 1 1 PNS H371 H 1 3.494 0.011 . 2 . . . . 98 PN2 1H37 . 6790 1
908 . 2 2 1 1 PNS H372 H 1 3.494 0.011 . 2 . . . . 98 PN2 2H37 . 6790 1
909 . 2 2 1 1 PNS H381 H 1 2.461 0.013 . 2 . . . . 98 PN2 1H38 . 6790 1
910 . 2 2 1 1 PNS H382 H 1 2.461 0.013 . 2 . . . . 98 PN2 2H38 . 6790 1
911 . 2 2 1 1 PNS H41 H 1 8.290 0.016 . 1 . . . . 98 PN2 H41 . 6790 1
912 . 2 2 1 1 PNS H421 H 1 3.348 0.010 . 2 . . . . 98 PN2 1H42 . 6790 1
913 . 2 2 1 1 PNS H422 H 1 3.348 0.010 . 2 . . . . 98 PN2 2H42 . 6790 1
914 . 2 2 1 1 PNS H431 H 1 3.009 0.013 . 2 . . . . 98 PN2 1H43 . 6790 1
915 . 2 2 1 1 PNS H432 H 1 3.009 0.013 . 2 . . . . 98 PN2 2H43 . 6790 1
916 . 3 3 1 1 STE H21 H 1 2.566 0.005 . 9 . . . . 99 STE 1H2 . 6790 1
917 . 3 3 1 1 STE H31 H 1 1.525 0.005 . 9 . . . . 99 STE 1H3 . 6790 1
918 . 3 3 1 1 STE H41 H 1 1.163 0.005 . 9 . . . . 99 STE 1H4 . 6790 1
919 . 3 3 1 1 STE H51 H 1 1.085 0.005 . 9 . . . . 99 STE 1H5 . 6790 1
920 . 3 3 1 1 STE H181 H 1 0.738 0.005 . 9 . . . . 99 STE H18 . 6790 1
stop_
loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 899 6790 1
1 917 6790 1
1 918 6790 1
1 900 6790 1
1 919 6790 1
1 920 6790 1
1 899 6790 1
1 917 6790 1
stop_
save_