Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 25349
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D HNCO' 1 $sample_1 isotropic 25349 1
2 '2D 1H-13C HSQC/HMQC' 1 $sample_1 isotropic 25349 1
4 '2D 1H-15N HSQC/HMQC' 1 $sample_1 isotropic 25349 1
6 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 25349 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 $CcpNmr_Analysis 1 $manual 25349 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 2 2 SER HA H 1 4.791 0.002 . 1 . . . . 2 SER HA . 25349 1
2 . 1 1 2 2 SER CA C 13 54.657 0.2 . 1 . . . . 2 SER CA . 25349 1
3 . 1 1 3 3 MET H H 1 7.506 0.003 . 1 . . . . 3 MET H . 25349 1
4 . 1 1 3 3 MET HA H 1 4.469 0.007 . 1 . . . . 3 MET HA . 25349 1
5 . 1 1 3 3 MET HB2 H 1 2.594 0.01 . 2 . . . . 3 MET HB2 . 25349 1
6 . 1 1 3 3 MET HB3 H 1 2.525 0.007 . 2 . . . . 3 MET HB3 . 25349 1
7 . 1 1 3 3 MET HG2 H 1 2.019 0.006 . 2 . . . . 3 MET HG2 . 25349 1
8 . 1 1 3 3 MET HG3 H 1 2.082 0.005 . 2 . . . . 3 MET HG3 . 25349 1
9 . 1 1 3 3 MET C C 13 176.602 0.2 . 1 . . . . 3 MET C . 25349 1
10 . 1 1 3 3 MET CA C 13 56.014 0.073 . 1 . . . . 3 MET CA . 25349 1
11 . 1 1 3 3 MET CB C 13 32.088 0.051 . 1 . . . . 3 MET CB . 25349 1
12 . 1 1 3 3 MET CG C 13 32.577 0.066 . 1 . . . . 3 MET CG . 25349 1
13 . 1 1 3 3 MET N N 15 121.815 0.117 . 1 . . . . 3 MET N . 25349 1
14 . 1 1 4 4 GLU H H 1 8.479 0.006 . 1 . . . . 4 GLU H . 25349 1
15 . 1 1 4 4 GLU HA H 1 4.216 0.007 . 1 . . . . 4 GLU HA . 25349 1
16 . 1 1 4 4 GLU HB2 H 1 2.035 0.011 . 2 . . . . 4 GLU HB2 . 25349 1
17 . 1 1 4 4 GLU HB3 H 1 1.952 0.018 . 2 . . . . 4 GLU HB3 . 25349 1
18 . 1 1 4 4 GLU HG2 H 1 2.259 0.008 . 2 . . . . 4 GLU HG2 . 25349 1
19 . 1 1 4 4 GLU HG3 H 1 2.147 0.05 . 2 . . . . 4 GLU HG3 . 25349 1
20 . 1 1 4 4 GLU C C 13 176.648 0.2 . 1 . . . . 4 GLU C . 25349 1
21 . 1 1 4 4 GLU CA C 13 56.984 0.139 . 1 . . . . 4 GLU CA . 25349 1
22 . 1 1 4 4 GLU CB C 13 29.948 0.053 . 1 . . . . 4 GLU CB . 25349 1
23 . 1 1 4 4 GLU CG C 13 36.502 0.078 . 1 . . . . 4 GLU CG . 25349 1
24 . 1 1 4 4 GLU N N 15 121.746 0.073 . 1 . . . . 4 GLU N . 25349 1
25 . 1 1 5 5 GLN H H 1 8.283 0.006 . 1 . . . . 5 GLN H . 25349 1
26 . 1 1 5 5 GLN HA H 1 4.29 0.007 . 1 . . . . 5 GLN HA . 25349 1
27 . 1 1 5 5 GLN HB2 H 1 1.956 0.008 . 2 . . . . 5 GLN HB2 . 25349 1
28 . 1 1 5 5 GLN HB3 H 1 2.092 0.007 . 2 . . . . 5 GLN HB3 . 25349 1
29 . 1 1 5 5 GLN HE21 H 1 7.52 0.01 . 1 . . . . 5 GLN HE21 . 25349 1
30 . 1 1 5 5 GLN HE22 H 1 6.873 0.007 . 1 . . . . 5 GLN HE22 . 25349 1
31 . 1 1 5 5 GLN HG2 H 1 2.347 0.005 . 2 . . . . 5 GLN HG2 . 25349 1
32 . 1 1 5 5 GLN HG3 H 1 2.347 0.004 . 2 . . . . 5 GLN HG3 . 25349 1
33 . 1 1 5 5 GLN C C 13 176.36 0.2 . 1 . . . . 5 GLN C . 25349 1
34 . 1 1 5 5 GLN CA C 13 56.023 0.117 . 1 . . . . 5 GLN CA . 25349 1
35 . 1 1 5 5 GLN CB C 13 29.661 0.029 . 1 . . . . 5 GLN CB . 25349 1
36 . 1 1 5 5 GLN CG C 13 34.038 0.046 . 1 . . . . 5 GLN CG . 25349 1
37 . 1 1 5 5 GLN N N 15 120.36 0.067 . 1 . . . . 5 GLN N . 25349 1
38 . 1 1 5 5 GLN NE2 N 15 112.274 0.023 . 1 . . . . 5 GLN NE2 . 25349 1
39 . 1 1 6 6 GLY H H 1 8.273 0.005 . 1 . . . . 6 GLY H . 25349 1
40 . 1 1 6 6 GLY HA2 H 1 3.860 0.005 . 2 . . . . 6 GLY HA2 . 25349 1
41 . 1 1 6 6 GLY HA3 H 1 3.859 0.002 . 2 . . . . 6 GLY HA3 . 25349 1
42 . 1 1 6 6 GLY C C 13 173.805 0.2 . 1 . . . . 6 GLY C . 25349 1
43 . 1 1 6 6 GLY CA C 13 45.259 0.111 . 1 . . . . 6 GLY CA . 25349 1
44 . 1 1 6 6 GLY N N 15 108.725 0.07 . 1 . . . . 6 GLY N . 25349 1
45 . 1 1 7 7 PHE H H 1 8.013 0.007 . 1 . . . . 7 PHE H . 25349 1
46 . 1 1 7 7 PHE HA H 1 4.634 0.034 . 1 . . . . 7 PHE HA . 25349 1
47 . 1 1 7 7 PHE HB2 H 1 3.173 0.008 . 2 . . . . 7 PHE HB2 . 25349 1
48 . 1 1 7 7 PHE HB3 H 1 2.955 0.008 . 2 . . . . 7 PHE HB3 . 25349 1
49 . 1 1 7 7 PHE HD1 H 1 7.256 0.007 . 1 . . . . 7 PHE HD1 . 25349 1
50 . 1 1 7 7 PHE HD2 H 1 7.256 0.007 . 1 . . . . 7 PHE HD2 . 25349 1
51 . 1 1 7 7 PHE HE1 H 1 7.356 0.007 . 1 . . . . 7 PHE HE1 . 25349 1
52 . 1 1 7 7 PHE HE2 H 1 7.356 0.007 . 1 . . . . 7 PHE HE2 . 25349 1
53 . 1 1 7 7 PHE C C 13 175.855 0.2 . 1 . . . . 7 PHE C . 25349 1
54 . 1 1 7 7 PHE CA C 13 57.204 0.075 . 1 . . . . 7 PHE CA . 25349 1
55 . 1 1 7 7 PHE CB C 13 39.549 0.107 . 1 . . . . 7 PHE CB . 25349 1
56 . 1 1 7 7 PHE CD1 C 13 131.69 0.023 . 1 . . . . 7 PHE CD1 . 25349 1
57 . 1 1 7 7 PHE CD2 C 13 131.69 0.023 . 1 . . . . 7 PHE CD2 . 25349 1
58 . 1 1 7 7 PHE CE1 C 13 131.53 0.2 . 1 . . . . 7 PHE CE1 . 25349 1
59 . 1 1 7 7 PHE CE2 C 13 131.53 0.2 . 1 . . . . 7 PHE CE2 . 25349 1
60 . 1 1 7 7 PHE N N 15 119.228 0.088 . 1 . . . . 7 PHE N . 25349 1
61 . 1 1 8 8 LEU H H 1 8.47 0.011 . 1 . . . . 8 LEU H . 25349 1
62 . 1 1 8 8 LEU HA H 1 4.256 0.007 . 1 . . . . 8 LEU HA . 25349 1
63 . 1 1 8 8 LEU HB2 H 1 1.683 0.005 . 2 . . . . 8 LEU HB2 . 25349 1
64 . 1 1 8 8 LEU HB3 H 1 1.481 0.005 . 2 . . . . 8 LEU HB3 . 25349 1
65 . 1 1 8 8 LEU HD11 H 1 0.801 0.002 . 2 . . . . 8 LEU HD11 . 25349 1
66 . 1 1 8 8 LEU HD12 H 1 0.801 0.002 . 2 . . . . 8 LEU HD12 . 25349 1
67 . 1 1 8 8 LEU HD13 H 1 0.801 0.002 . 2 . . . . 8 LEU HD13 . 25349 1
68 . 1 1 8 8 LEU HD21 H 1 0.801 0.002 . 2 . . . . 8 LEU HD21 . 25349 1
69 . 1 1 8 8 LEU HD22 H 1 0.801 0.002 . 2 . . . . 8 LEU HD22 . 25349 1
70 . 1 1 8 8 LEU HD23 H 1 0.801 0.002 . 2 . . . . 8 LEU HD23 . 25349 1
71 . 1 1 8 8 LEU HG H 1 0.981 0.004 . 1 . . . . 8 LEU HG . 25349 1
72 . 1 1 8 8 LEU CA C 13 52.639 0.126 . 1 . . . . 8 LEU CA . 25349 1
73 . 1 1 8 8 LEU CB C 13 42.311 0.108 . 1 . . . . 8 LEU CB . 25349 1
74 . 1 1 8 8 LEU CD1 C 13 24.11 0.025 . 1 . . . . 8 LEU CD1 . 25349 1
75 . 1 1 8 8 LEU CD2 C 13 24.104 0.033 . 1 . . . . 8 LEU CD2 . 25349 1
76 . 1 1 8 8 LEU CG C 13 25.808 0.009 . 1 . . . . 8 LEU CG . 25349 1
77 . 1 1 8 8 LEU N N 15 123.647 0.071 . 1 . . . . 8 LEU N . 25349 1
78 . 1 1 9 9 PRO HA H 1 4.442 0.005 . 1 . . . . 9 PRO HA . 25349 1
79 . 1 1 9 9 PRO HB2 H 1 2.355 0.003 . 2 . . . . 9 PRO HB2 . 25349 1
80 . 1 1 9 9 PRO HB3 H 1 1.853 0.005 . 2 . . . . 9 PRO HB3 . 25349 1
81 . 1 1 9 9 PRO HD2 H 1 3.363 0.005 . 2 . . . . 9 PRO HD2 . 25349 1
82 . 1 1 9 9 PRO HD3 H 1 2.718 0.004 . 2 . . . . 9 PRO HD3 . 25349 1
83 . 1 1 9 9 PRO HG2 H 1 1.268 0.007 . 2 . . . . 9 PRO HG2 . 25349 1
84 . 1 1 9 9 PRO HG3 H 1 1.638 0.002 . 2 . . . . 9 PRO HG3 . 25349 1
85 . 1 1 9 9 PRO C C 13 175.81 0.2 . 1 . . . . 9 PRO C . 25349 1
86 . 1 1 9 9 PRO CA C 13 62.015 0.076 . 1 . . . . 9 PRO CA . 25349 1
87 . 1 1 9 9 PRO CB C 13 31.417 0.022 . 1 . . . . 9 PRO CB . 25349 1
88 . 1 1 9 9 PRO CD C 13 50.079 0.029 . 1 . . . . 9 PRO CD . 25349 1
89 . 1 1 9 9 PRO CG C 13 27.051 0.023 . 1 . . . . 9 PRO CG . 25349 1
90 . 1 1 10 10 LYS H H 1 8.445 0.004 . 1 . . . . 10 LYS H . 25349 1
91 . 1 1 10 10 LYS HA H 1 4.196 0.006 . 1 . . . . 10 LYS HA . 25349 1
92 . 1 1 10 10 LYS HB2 H 1 1.872 0.011 . 2 . . . . 10 LYS HB2 . 25349 1
93 . 1 1 10 10 LYS HB3 H 1 1.875 0.008 . 2 . . . . 10 LYS HB3 . 25349 1
94 . 1 1 10 10 LYS HD2 H 1 1.758 0.007 . 2 . . . . 10 LYS HD2 . 25349 1
95 . 1 1 10 10 LYS HD3 H 1 1.772 0.033 . 2 . . . . 10 LYS HD3 . 25349 1
96 . 1 1 10 10 LYS HE2 H 1 3.038 0.017 . 2 . . . . 10 LYS HE2 . 25349 1
97 . 1 1 10 10 LYS HE3 H 1 3.039 0.018 . 2 . . . . 10 LYS HE3 . 25349 1
98 . 1 1 10 10 LYS HG2 H 1 1.592 0.022 . 2 . . . . 10 LYS HG2 . 25349 1
99 . 1 1 10 10 LYS HG3 H 1 1.568 0.034 . 2 . . . . 10 LYS HG3 . 25349 1
100 . 1 1 10 10 LYS C C 13 178.511 0.2 . 1 . . . . 10 LYS C . 25349 1
101 . 1 1 10 10 LYS CA C 13 58.233 0.041 . 1 . . . . 10 LYS CA . 25349 1
102 . 1 1 10 10 LYS CB C 13 32.512 0.035 . 1 . . . . 10 LYS CB . 25349 1
103 . 1 1 10 10 LYS CD C 13 29.344 0.04 . 1 . . . . 10 LYS CD . 25349 1
104 . 1 1 10 10 LYS CE C 13 42.283 0.086 . 1 . . . . 10 LYS CE . 25349 1
105 . 1 1 10 10 LYS CG C 13 24.769 0.024 . 1 . . . . 10 LYS CG . 25349 1
106 . 1 1 10 10 LYS N N 15 121.478 0.062 . 1 . . . . 10 LYS N . 25349 1
107 . 1 1 11 11 GLY H H 1 9.071 0.005 . 1 . . . . 11 GLY H . 25349 1
108 . 1 1 11 11 GLY HA2 H 1 4.313 0.007 . 2 . . . . 11 GLY HA2 . 25349 1
109 . 1 1 11 11 GLY HA3 H 1 3.849 0.008 . 2 . . . . 11 GLY HA3 . 25349 1
110 . 1 1 11 11 GLY C C 13 172.921 0.2 . 1 . . . . 11 GLY C . 25349 1
111 . 1 1 11 11 GLY CA C 13 45.879 0.108 . 1 . . . . 11 GLY CA . 25349 1
112 . 1 1 11 11 GLY N N 15 113.615 0.065 . 1 . . . . 11 GLY N . 25349 1
113 . 1 1 12 12 TRP H H 1 7.906 0.005 . 1 . . . . 12 TRP H . 25349 1
114 . 1 1 12 12 TRP HA H 1 5.834 0.008 . 1 . . . . 12 TRP HA . 25349 1
115 . 1 1 12 12 TRP HB2 H 1 3.308 0.014 . 2 . . . . 12 TRP HB2 . 25349 1
116 . 1 1 12 12 TRP HB3 H 1 3.101 0.008 . 2 . . . . 12 TRP HB3 . 25349 1
117 . 1 1 12 12 TRP HD1 H 1 7.052 0.006 . 1 . . . . 12 TRP HD1 . 25349 1
118 . 1 1 12 12 TRP HE1 H 1 10.347 0.004 . 1 . . . . 12 TRP HE1 . 25349 1
119 . 1 1 12 12 TRP HE3 H 1 7.335 0.018 . 1 . . . . 12 TRP HE3 . 25349 1
120 . 1 1 12 12 TRP HH2 H 1 7.134 0.013 . 1 . . . . 12 TRP HH2 . 25349 1
121 . 1 1 12 12 TRP HZ2 H 1 7.385 0.016 . 1 . . . . 12 TRP HZ2 . 25349 1
122 . 1 1 12 12 TRP HZ3 H 1 6.962 0.007 . 1 . . . . 12 TRP HZ3 . 25349 1
123 . 1 1 12 12 TRP C C 13 176.846 0.2 . 1 . . . . 12 TRP C . 25349 1
124 . 1 1 12 12 TRP CA C 13 56.65 0.088 . 1 . . . . 12 TRP CA . 25349 1
125 . 1 1 12 12 TRP CB C 13 31.262 0.034 . 1 . . . . 12 TRP CB . 25349 1
126 . 1 1 12 12 TRP CD1 C 13 126.924 0.024 . 1 . . . . 12 TRP CD1 . 25349 1
127 . 1 1 12 12 TRP CE3 C 13 119.304 0.024 . 1 . . . . 12 TRP CE3 . 25349 1
128 . 1 1 12 12 TRP CH2 C 13 124.139 0.015 . 1 . . . . 12 TRP CH2 . 25349 1
129 . 1 1 12 12 TRP CZ2 C 13 115.251 0.015 . 1 . . . . 12 TRP CZ2 . 25349 1
130 . 1 1 12 12 TRP CZ3 C 13 119.015 0.045 . 1 . . . . 12 TRP CZ3 . 25349 1
131 . 1 1 12 12 TRP N N 15 118.746 0.074 . 1 . . . . 12 TRP N . 25349 1
132 . 1 1 12 12 TRP NE1 N 15 130.156 0.04 . 1 . . . . 12 TRP NE1 . 25349 1
133 . 1 1 13 13 GLU H H 1 9.347 0.006 . 1 . . . . 13 GLU H . 25349 1
134 . 1 1 13 13 GLU HA H 1 4.81 0.015 . 1 . . . . 13 GLU HA . 25349 1
135 . 1 1 13 13 GLU HB2 H 1 2.36 0.007 . 1 . . . . 13 GLU HB2 . 25349 1
136 . 1 1 13 13 GLU HB3 H 1 2.36 0.007 . 1 . . . . 13 GLU HB3 . 25349 1
137 . 1 1 13 13 GLU HG2 H 1 2.128 0.02 . 2 . . . . 13 GLU HG2 . 25349 1
138 . 1 1 13 13 GLU HG3 H 1 2.127 0.02 . 2 . . . . 13 GLU HG3 . 25349 1
139 . 1 1 13 13 GLU C C 13 173.954 0.2 . 1 . . . . 13 GLU C . 25349 1
140 . 1 1 13 13 GLU CA C 13 54.909 0.1 . 1 . . . . 13 GLU CA . 25349 1
141 . 1 1 13 13 GLU CB C 13 34.138 0.057 . 1 . . . . 13 GLU CB . 25349 1
142 . 1 1 13 13 GLU CG C 13 36.619 0.056 . 1 . . . . 13 GLU CG . 25349 1
143 . 1 1 13 13 GLU N N 15 121.833 0.074 . 1 . . . . 13 GLU N . 25349 1
144 . 1 1 14 14 VAL H H 1 8.545 0.006 . 1 . . . . 14 VAL H . 25349 1
145 . 1 1 14 14 VAL HA H 1 4.637 0.009 . 1 . . . . 14 VAL HA . 25349 1
146 . 1 1 14 14 VAL HB H 1 1.897 0.007 . 1 . . . . 14 VAL HB . 25349 1
147 . 1 1 14 14 VAL HG11 H 1 0.65 0.003 . 2 . . . . 14 VAL HG11 . 25349 1
148 . 1 1 14 14 VAL HG12 H 1 0.65 0.003 . 2 . . . . 14 VAL HG12 . 25349 1
149 . 1 1 14 14 VAL HG13 H 1 0.65 0.003 . 2 . . . . 14 VAL HG13 . 25349 1
150 . 1 1 14 14 VAL HG21 H 1 0.781 0.007 . 2 . . . . 14 VAL HG21 . 25349 1
151 . 1 1 14 14 VAL HG22 H 1 0.781 0.007 . 2 . . . . 14 VAL HG22 . 25349 1
152 . 1 1 14 14 VAL HG23 H 1 0.781 0.007 . 2 . . . . 14 VAL HG23 . 25349 1
153 . 1 1 14 14 VAL C C 13 174.416 0.2 . 1 . . . . 14 VAL C . 25349 1
154 . 1 1 14 14 VAL CA C 13 60.025 0.075 . 1 . . . . 14 VAL CA . 25349 1
155 . 1 1 14 14 VAL CB C 13 33.861 0.067 . 1 . . . . 14 VAL CB . 25349 1
156 . 1 1 14 14 VAL CG1 C 13 22.462 0.009 . 2 . . . . 14 VAL CG1 . 25349 1
157 . 1 1 14 14 VAL CG2 C 13 19.752 0.03 . 2 . . . . 14 VAL CG2 . 25349 1
158 . 1 1 14 14 VAL N N 15 123.137 0.074 . 1 . . . . 14 VAL N . 25349 1
159 . 1 1 15 15 ARG H H 1 8.246 0.006 . 1 . . . . 15 ARG H . 25349 1
160 . 1 1 15 15 ARG HA H 1 4.314 0.006 . 1 . . . . 15 ARG HA . 25349 1
161 . 1 1 15 15 ARG HB2 H 1 1.296 0.004 . 2 . . . . 15 ARG HB2 . 25349 1
162 . 1 1 15 15 ARG HB3 H 1 0.211 0.005 . 2 . . . . 15 ARG HB3 . 25349 1
163 . 1 1 15 15 ARG HD2 H 1 3.141 0.011 . 2 . . . . 15 ARG HD2 . 25349 1
164 . 1 1 15 15 ARG HD3 H 1 2.93 0.005 . 2 . . . . 15 ARG HD3 . 25349 1
165 . 1 1 15 15 ARG HE H 1 7.125 0.041 . 1 . . . . 15 ARG HE . 25349 1
166 . 1 1 15 15 ARG HG2 H 1 1.187 0.004 . 2 . . . . 15 ARG HG2 . 25349 1
167 . 1 1 15 15 ARG HG3 H 1 1.297 0.01 . 2 . . . . 15 ARG HG3 . 25349 1
168 . 1 1 15 15 ARG C C 13 173.405 0.2 . 1 . . . . 15 ARG C . 25349 1
169 . 1 1 15 15 ARG CA C 13 53.582 0.077 . 1 . . . . 15 ARG CA . 25349 1
170 . 1 1 15 15 ARG CB C 13 33.831 0.046 . 1 . . . . 15 ARG CB . 25349 1
171 . 1 1 15 15 ARG CD C 13 43.354 0.107 . 1 . . . . 15 ARG CD . 25349 1
172 . 1 1 15 15 ARG CG C 13 27.541 0.049 . 1 . . . . 15 ARG CG . 25349 1
173 . 1 1 15 15 ARG N N 15 127.139 0.059 . 1 . . . . 15 ARG N . 25349 1
174 . 1 1 15 15 ARG NE N 15 116.081 0.2 . 1 . . . . 15 ARG NE . 25349 1
175 . 1 1 16 16 HIS H H 1 8.197 0.007 . 1 . . . . 16 HIS H . 25349 1
176 . 1 1 16 16 HIS HA H 1 4.956 0.013 . 1 . . . . 16 HIS HA . 25349 1
177 . 1 1 16 16 HIS HB2 H 1 2.858 0.008 . 2 . . . . 16 HIS HB2 . 25349 1
178 . 1 1 16 16 HIS HB3 H 1 2.858 0.008 . 2 . . . . 16 HIS HB3 . 25349 1
179 . 1 1 16 16 HIS HD2 H 1 6.932 0.01 . 1 . . . . 16 HIS HD2 . 25349 1
180 . 1 1 16 16 HIS HE1 H 1 7.961 0.006 . 1 . . . . 16 HIS HE1 . 25349 1
181 . 1 1 16 16 HIS C C 13 175.392 0.2 . 1 . . . . 16 HIS C . 25349 1
182 . 1 1 16 16 HIS CA C 13 56.284 0.034 . 1 . . . . 16 HIS CA . 25349 1
183 . 1 1 16 16 HIS CB C 13 31.783 0.054 . 1 . . . . 16 HIS CB . 25349 1
184 . 1 1 16 16 HIS CD2 C 13 120.225 0.063 . 1 . . . . 16 HIS CD2 . 25349 1
185 . 1 1 16 16 HIS N N 15 115.693 0.071 . 1 . . . . 16 HIS N . 25349 1
186 . 1 1 17 17 ALA H H 1 9.095 0.005 . 1 . . . . 17 ALA H . 25349 1
187 . 1 1 17 17 ALA HA H 1 4.681 0.012 . 1 . . . . 17 ALA HA . 25349 1
188 . 1 1 17 17 ALA HB1 H 1 1.824 0.005 . 1 . . . . 17 ALA HB1 . 25349 1
189 . 1 1 17 17 ALA HB2 H 1 1.824 0.005 . 1 . . . . 17 ALA HB2 . 25349 1
190 . 1 1 17 17 ALA HB3 H 1 1.824 0.005 . 1 . . . . 17 ALA HB3 . 25349 1
191 . 1 1 17 17 ALA CA C 13 50.955 0.184 . 1 . . . . 17 ALA CA . 25349 1
192 . 1 1 17 17 ALA CB C 13 17.816 0.034 . 1 . . . . 17 ALA CB . 25349 1
193 . 1 1 17 17 ALA N N 15 127.216 0.085 . 1 . . . . 17 ALA N . 25349 1
194 . 1 1 18 18 PRO HA H 1 4.363 0.006 . 1 . . . . 18 PRO HA . 25349 1
195 . 1 1 18 18 PRO HB2 H 1 2.393 0.008 . 2 . . . . 18 PRO HB2 . 25349 1
196 . 1 1 18 18 PRO HB3 H 1 1.842 0.012 . 2 . . . . 18 PRO HB3 . 25349 1
197 . 1 1 18 18 PRO HD2 H 1 3.712 0.018 . 2 . . . . 18 PRO HD2 . 25349 1
198 . 1 1 18 18 PRO HD3 H 1 3.713 0.015 . 2 . . . . 18 PRO HD3 . 25349 1
199 . 1 1 18 18 PRO HG2 H 1 1.973 0.017 . 2 . . . . 18 PRO HG2 . 25349 1
200 . 1 1 18 18 PRO HG3 H 1 1.963 0.004 . 2 . . . . 18 PRO HG3 . 25349 1
201 . 1 1 18 18 PRO C C 13 176.801 0.2 . 1 . . . . 18 PRO C . 25349 1
202 . 1 1 18 18 PRO CA C 13 65.484 0.06 . 1 . . . . 18 PRO CA . 25349 1
203 . 1 1 18 18 PRO CB C 13 31.604 0.055 . 1 . . . . 18 PRO CB . 25349 1
204 . 1 1 18 18 PRO CD C 13 50.543 0.2 . 1 . . . . 18 PRO CD . 25349 1
205 . 1 1 18 18 PRO CG C 13 27.892 0.048 . 1 . . . . 18 PRO CG . 25349 1
206 . 1 1 19 19 ASN H H 1 7.732 0.008 . 1 . . . . 19 ASN H . 25349 1
207 . 1 1 19 19 ASN HA H 1 4.656 0.009 . 1 . . . . 19 ASN HA . 25349 1
208 . 1 1 19 19 ASN HB2 H 1 3.246 0.007 . 1 . . . . 19 ASN HB2 . 25349 1
209 . 1 1 19 19 ASN HB3 H 1 2.88 0.005 . 1 . . . . 19 ASN HB3 . 25349 1
210 . 1 1 19 19 ASN HD21 H 1 7.525 0.003 . 1 . . . . 19 ASN HD21 . 25349 1
211 . 1 1 19 19 ASN HD22 H 1 6.394 0.005 . 1 . . . . 19 ASN HD22 . 25349 1
212 . 1 1 19 19 ASN C C 13 176.337 0.2 . 1 . . . . 19 ASN C . 25349 1
213 . 1 1 19 19 ASN CB C 13 37.467 0.082 . 1 . . . . 19 ASN CB . 25349 1
214 . 1 1 19 19 ASN N N 15 112.324 0.077 . 1 . . . . 19 ASN N . 25349 1
215 . 1 1 19 19 ASN ND2 N 15 109.101 0.023 . 1 . . . . 19 ASN ND2 . 25349 1
216 . 1 1 20 20 GLY H H 1 8.577 0.005 . 1 . . . . 20 GLY H . 25349 1
217 . 1 1 20 20 GLY HA2 H 1 4.350 0.005 . 2 . . . . 20 GLY HA2 . 25349 1
218 . 1 1 20 20 GLY HA3 H 1 3.725 0.009 . 2 . . . . 20 GLY HA3 . 25349 1
219 . 1 1 20 20 GLY C C 13 174.207 0.2 . 1 . . . . 20 GLY C . 25349 1
220 . 1 1 20 20 GLY CA C 13 45.235 0.155 . 1 . . . . 20 GLY CA . 25349 1
221 . 1 1 20 20 GLY N N 15 108.672 0.074 . 1 . . . . 20 GLY N . 25349 1
222 . 1 1 21 21 ARG H H 1 7.813 0.01 . 1 . . . . 21 ARG H . 25349 1
223 . 1 1 21 21 ARG HA H 1 4.724 0.005 . 1 . . . . 21 ARG HA . 25349 1
224 . 1 1 21 21 ARG HB2 H 1 2.029 0.008 . 2 . . . . 21 ARG HB2 . 25349 1
225 . 1 1 21 21 ARG HB3 H 1 2.029 0.008 . 2 . . . . 21 ARG HB3 . 25349 1
226 . 1 1 21 21 ARG HD2 H 1 2.958 0.004 . 2 . . . . 21 ARG HD2 . 25349 1
227 . 1 1 21 21 ARG HD3 H 1 2.716 0.005 . 2 . . . . 21 ARG HD3 . 25349 1
228 . 1 1 21 21 ARG HE H 1 7.137 0.004 . 1 . . . . 21 ARG HE . 25349 1
229 . 1 1 21 21 ARG HG2 H 1 1.773 0.003 . 2 . . . . 21 ARG HG2 . 25349 1
230 . 1 1 21 21 ARG HG3 H 1 1.907 0.008 . 2 . . . . 21 ARG HG3 . 25349 1
231 . 1 1 21 21 ARG CA C 13 54.55 0.05 . 1 . . . . 21 ARG CA . 25349 1
232 . 1 1 21 21 ARG CB C 13 31.351 0.06 . 1 . . . . 21 ARG CB . 25349 1
233 . 1 1 21 21 ARG CD C 13 43.859 0.108 . 1 . . . . 21 ARG CD . 25349 1
234 . 1 1 21 21 ARG CG C 13 26.623 0.045 . 1 . . . . 21 ARG CG . 25349 1
235 . 1 1 21 21 ARG N N 15 123.427 0.067 . 1 . . . . 21 ARG N . 25349 1
236 . 1 1 21 21 ARG NE N 15 115.678 0.2 . 1 . . . . 21 ARG NE . 25349 1
237 . 1 1 22 22 PRO HA H 1 4.798 0.007 . 1 . . . . 22 PRO HA . 25349 1
238 . 1 1 22 22 PRO HB2 H 1 1.732 0.005 . 2 . . . . 22 PRO HB2 . 25349 1
239 . 1 1 22 22 PRO HB3 H 1 1.511 0.004 . 2 . . . . 22 PRO HB3 . 25349 1
240 . 1 1 22 22 PRO HD2 H 1 4.144 0.006 . 2 . . . . 22 PRO HD2 . 25349 1
241 . 1 1 22 22 PRO HD3 H 1 3.899 0.005 . 2 . . . . 22 PRO HD3 . 25349 1
242 . 1 1 22 22 PRO HG2 H 1 2.307 0.006 . 2 . . . . 22 PRO HG2 . 25349 1
243 . 1 1 22 22 PRO HG3 H 1 2.143 0.006 . 2 . . . . 22 PRO HG3 . 25349 1
244 . 1 1 22 22 PRO C C 13 175.485 0.2 . 1 . . . . 22 PRO C . 25349 1
245 . 1 1 22 22 PRO CA C 13 62.371 0.009 . 1 . . . . 22 PRO CA . 25349 1
246 . 1 1 22 22 PRO CB C 13 32.178 0.03 . 1 . . . . 22 PRO CB . 25349 1
247 . 1 1 22 22 PRO CD C 13 50.611 0.207 . 1 . . . . 22 PRO CD . 25349 1
248 . 1 1 22 22 PRO CG C 13 27.31 0.023 . 1 . . . . 22 PRO CG . 25349 1
249 . 1 1 23 23 PHE H H 1 8.362 0.007 . 1 . . . . 23 PHE H . 25349 1
250 . 1 1 23 23 PHE HA H 1 4.606 0.007 . 1 . . . . 23 PHE HA . 25349 1
251 . 1 1 23 23 PHE HB2 H 1 2.460 0.011 . 2 . . . . 23 PHE HB2 . 25349 1
252 . 1 1 23 23 PHE HB3 H 1 2.261 0.011 . 2 . . . . 23 PHE HB3 . 25349 1
253 . 1 1 23 23 PHE HD1 H 1 6.671 0.006 . 1 . . . . 23 PHE HD1 . 25349 1
254 . 1 1 23 23 PHE HD2 H 1 6.671 0.006 . 1 . . . . 23 PHE HD2 . 25349 1
255 . 1 1 23 23 PHE HE1 H 1 6.859 0.008 . 1 . . . . 23 PHE HE1 . 25349 1
256 . 1 1 23 23 PHE HE2 H 1 6.859 0.008 . 1 . . . . 23 PHE HE2 . 25349 1
257 . 1 1 23 23 PHE C C 13 171.675 0.2 . 1 . . . . 23 PHE C . 25349 1
258 . 1 1 23 23 PHE CA C 13 55.689 0.139 . 1 . . . . 23 PHE CA . 25349 1
259 . 1 1 23 23 PHE CB C 13 40.163 0.17 . 1 . . . . 23 PHE CB . 25349 1
260 . 1 1 23 23 PHE CD1 C 13 132.302 0.019 . 1 . . . . 23 PHE CD1 . 25349 1
261 . 1 1 23 23 PHE CD2 C 13 132.302 0.019 . 1 . . . . 23 PHE CD2 . 25349 1
262 . 1 1 23 23 PHE CE1 C 13 130.403 0.041 . 1 . . . . 23 PHE CE1 . 25349 1
263 . 1 1 23 23 PHE CE2 C 13 130.403 0.041 . 1 . . . . 23 PHE CE2 . 25349 1
264 . 1 1 23 23 PHE N N 15 117.25 0.062 . 1 . . . . 23 PHE N . 25349 1
265 . 1 1 24 24 PHE H H 1 8.775 0.011 . 1 . . . . 24 PHE H . 25349 1
266 . 1 1 24 24 PHE HA H 1 5.212 0.011 . 1 . . . . 24 PHE HA . 25349 1
267 . 1 1 24 24 PHE HB2 H 1 3.183 0.01 . 2 . . . . 24 PHE HB2 . 25349 1
268 . 1 1 24 24 PHE HB3 H 1 3.182 0.01 . 2 . . . . 24 PHE HB3 . 25349 1
269 . 1 1 24 24 PHE HD1 H 1 7.061 0.005 . 1 . . . . 24 PHE HD1 . 25349 1
270 . 1 1 24 24 PHE HD2 H 1 7.061 0.005 . 1 . . . . 24 PHE HD2 . 25349 1
271 . 1 1 24 24 PHE HE1 H 1 7.185 0.01 . 1 . . . . 24 PHE HE1 . 25349 1
272 . 1 1 24 24 PHE HE2 H 1 7.185 0.01 . 1 . . . . 24 PHE HE2 . 25349 1
273 . 1 1 24 24 PHE C C 13 174.481 0.2 . 1 . . . . 24 PHE C . 25349 1
274 . 1 1 24 24 PHE CA C 13 56.924 0.092 . 1 . . . . 24 PHE CA . 25349 1
275 . 1 1 24 24 PHE CB C 13 41.665 0.093 . 1 . . . . 24 PHE CB . 25349 1
276 . 1 1 24 24 PHE CD1 C 13 132.305 0.023 . 1 . . . . 24 PHE CD1 . 25349 1
277 . 1 1 24 24 PHE CD2 C 13 132.305 0.023 . 1 . . . . 24 PHE CD2 . 25349 1
278 . 1 1 24 24 PHE CE1 C 13 130.779 0.015 . 1 . . . . 24 PHE CE1 . 25349 1
279 . 1 1 24 24 PHE CE2 C 13 130.779 0.015 . 1 . . . . 24 PHE CE2 . 25349 1
280 . 1 1 24 24 PHE N N 15 117.735 0.088 . 1 . . . . 24 PHE N . 25349 1
281 . 1 1 25 25 ILE H H 1 9.092 0.009 . 1 . . . . 25 ILE H . 25349 1
282 . 1 1 25 25 ILE HA H 1 4.321 0.006 . 1 . . . . 25 ILE HA . 25349 1
283 . 1 1 25 25 ILE HB H 1 1.381 0.016 . 1 . . . . 25 ILE HB . 25349 1
284 . 1 1 25 25 ILE HD11 H 1 0.17 0.005 . 1 . . . . 25 ILE HD11 . 25349 1
285 . 1 1 25 25 ILE HD12 H 1 0.17 0.005 . 1 . . . . 25 ILE HD12 . 25349 1
286 . 1 1 25 25 ILE HD13 H 1 0.17 0.005 . 1 . . . . 25 ILE HD13 . 25349 1
287 . 1 1 25 25 ILE HG12 H 1 0.885 0.018 . 2 . . . . 25 ILE HG12 . 25349 1
288 . 1 1 25 25 ILE HG13 H 1 1.251 0.003 . 2 . . . . 25 ILE HG13 . 25349 1
289 . 1 1 25 25 ILE HG21 H 1 0.641 0.003 . 1 . . . . 25 ILE HG21 . 25349 1
290 . 1 1 25 25 ILE HG22 H 1 0.641 0.003 . 1 . . . . 25 ILE HG22 . 25349 1
291 . 1 1 25 25 ILE HG23 H 1 0.641 0.003 . 1 . . . . 25 ILE HG23 . 25349 1
292 . 1 1 25 25 ILE C C 13 173.95 0.2 . 1 . . . . 25 ILE C . 25349 1
293 . 1 1 25 25 ILE CA C 13 59.986 0.039 . 1 . . . . 25 ILE CA . 25349 1
294 . 1 1 25 25 ILE CB C 13 41.105 0.078 . 1 . . . . 25 ILE CB . 25349 1
295 . 1 1 25 25 ILE CD1 C 13 16.3 0.043 . 1 . . . . 25 ILE CD1 . 25349 1
296 . 1 1 25 25 ILE CG1 C 13 27.459 0.023 . 1 . . . . 25 ILE CG1 . 25349 1
297 . 1 1 25 25 ILE CG2 C 13 14.177 0.051 . 1 . . . . 25 ILE CG2 . 25349 1
298 . 1 1 25 25 ILE N N 15 122.391 0.083 . 1 . . . . 25 ILE N . 25349 1
299 . 1 1 26 26 ASP H H 1 8.182 0.004 . 1 . . . . 26 ASP H . 25349 1
300 . 1 1 26 26 ASP HA H 1 3.677 0.02 . 1 . . . . 26 ASP HA . 25349 1
301 . 1 1 26 26 ASP HB2 H 1 2.056 0.008 . 2 . . . . 26 ASP HB2 . 25349 1
302 . 1 1 26 26 ASP HB3 H 1 0.263 0.05 . 2 . . . . 26 ASP HB3 . 25349 1
303 . 1 1 26 26 ASP C C 13 177.841 0.2 . 1 . . . . 26 ASP C . 25349 1
304 . 1 1 26 26 ASP CA C 13 51.384 0.109 . 1 . . . . 26 ASP CA . 25349 1
305 . 1 1 26 26 ASP CB C 13 39.595 0.095 . 1 . . . . 26 ASP CB . 25349 1
306 . 1 1 26 26 ASP N N 15 124.611 0.058 . 1 . . . . 26 ASP N . 25349 1
307 . 1 1 27 27 HIS H H 1 8.719 0.007 . 1 . . . . 27 HIS H . 25349 1
308 . 1 1 27 27 HIS HA H 1 4.234 0.027 . 1 . . . . 27 HIS HA . 25349 1
309 . 1 1 27 27 HIS HB2 H 1 3.357 0.007 . 1 . . . . 27 HIS HB2 . 25349 1
310 . 1 1 27 27 HIS HB3 H 1 3.071 0.01 . 1 . . . . 27 HIS HB3 . 25349 1
311 . 1 1 27 27 HIS HD2 H 1 6.973 0.015 . 1 . . . . 27 HIS HD2 . 25349 1
312 . 1 1 27 27 HIS HE1 H 1 7.912 0.005 . 1 . . . . 27 HIS HE1 . 25349 1
313 . 1 1 27 27 HIS HE2 H 1 8.124 0.004 . 1 . . . . 27 HIS HE2 . 25349 1
314 . 1 1 27 27 HIS C C 13 176.759 0.2 . 1 . . . . 27 HIS C . 25349 1
315 . 1 1 27 27 HIS CA C 13 58.504 0.105 . 1 . . . . 27 HIS CA . 25349 1
316 . 1 1 27 27 HIS CB C 13 29.71 0.029 . 1 . . . . 27 HIS CB . 25349 1
317 . 1 1 27 27 HIS CD2 C 13 121.968 0.036 . 1 . . . . 27 HIS CD2 . 25349 1
318 . 1 1 27 27 HIS N N 15 122.958 0.062 . 1 . . . . 27 HIS N . 25349 1
319 . 1 1 28 28 ASN H H 1 8.437 0.006 . 1 . . . . 28 ASN H . 25349 1
320 . 1 1 28 28 ASN HA H 1 4.477 0.01 . 1 . . . . 28 ASN HA . 25349 1
321 . 1 1 28 28 ASN HB2 H 1 3.254 0.005 . 2 . . . . 28 ASN HB2 . 25349 1
322 . 1 1 28 28 ASN HB3 H 1 2.739 0.008 . 2 . . . . 28 ASN HB3 . 25349 1
323 . 1 1 28 28 ASN HD21 H 1 8.041 0.006 . 1 . . . . 28 ASN HD21 . 25349 1
324 . 1 1 28 28 ASN HD22 H 1 7.613 0.015 . 1 . . . . 28 ASN HD22 . 25349 1
325 . 1 1 28 28 ASN CA C 13 55.791 0.109 . 1 . . . . 28 ASN CA . 25349 1
326 . 1 1 28 28 ASN CB C 13 38.766 0.064 . 1 . . . . 28 ASN CB . 25349 1
327 . 1 1 28 28 ASN N N 15 116.109 0.072 . 1 . . . . 28 ASN N . 25349 1
328 . 1 1 28 28 ASN ND2 N 15 117.346 0.033 . 1 . . . . 28 ASN ND2 . 25349 1
329 . 1 1 29 29 THR H H 1 6.738 0.015 . 1 . . . . 29 THR H . 25349 1
330 . 1 1 29 29 THR HA H 1 4.317 0.006 . 1 . . . . 29 THR HA . 25349 1
331 . 1 1 29 29 THR HB H 1 4.312 0.002 . 1 . . . . 29 THR HB . 25349 1
332 . 1 1 29 29 THR HG21 H 1 1.158 0.005 . 1 . . . . 29 THR HG21 . 25349 1
333 . 1 1 29 29 THR HG22 H 1 1.158 0.005 . 1 . . . . 29 THR HG22 . 25349 1
334 . 1 1 29 29 THR HG23 H 1 1.158 0.005 . 1 . . . . 29 THR HG23 . 25349 1
335 . 1 1 29 29 THR C C 13 174.417 0.2 . 1 . . . . 29 THR C . 25349 1
336 . 1 1 29 29 THR CA C 13 61.128 0.041 . 1 . . . . 29 THR CA . 25349 1
337 . 1 1 29 29 THR CB C 13 70.544 0.038 . 1 . . . . 29 THR CB . 25349 1
338 . 1 1 29 29 THR CG2 C 13 21.149 0.023 . 1 . . . . 29 THR CG2 . 25349 1
339 . 1 1 29 29 THR N N 15 104.932 0.2 . 1 . . . . 29 THR N . 25349 1
340 . 1 1 30 30 LYS H H 1 8.023 0.006 . 1 . . . . 30 LYS H . 25349 1
341 . 1 1 30 30 LYS HA H 1 3.793 0.022 . 1 . . . . 30 LYS HA . 25349 1
342 . 1 1 30 30 LYS HB2 H 1 2.076 0.007 . 2 . . . . 30 LYS HB2 . 25349 1
343 . 1 1 30 30 LYS HB3 H 1 2.077 0.007 . 2 . . . . 30 LYS HB3 . 25349 1
344 . 1 1 30 30 LYS HD2 H 1 1.811 0.009 . 2 . . . . 30 LYS HD2 . 25349 1
345 . 1 1 30 30 LYS HD3 H 1 1.632 0.008 . 2 . . . . 30 LYS HD3 . 25349 1
346 . 1 1 30 30 LYS HE2 H 1 3.003 0.009 . 2 . . . . 30 LYS HE2 . 25349 1
347 . 1 1 30 30 LYS HE3 H 1 3.001 0.008 . 2 . . . . 30 LYS HE3 . 25349 1
348 . 1 1 30 30 LYS HG2 H 1 1.31 0.006 . 2 . . . . 30 LYS HG2 . 25349 1
349 . 1 1 30 30 LYS HG3 H 1 1.31 0.006 . 2 . . . . 30 LYS HG3 . 25349 1
350 . 1 1 30 30 LYS C C 13 175.862 0.2 . 1 . . . . 30 LYS C . 25349 1
351 . 1 1 30 30 LYS CA C 13 56.996 0.151 . 1 . . . . 30 LYS CA . 25349 1
352 . 1 1 30 30 LYS CB C 13 29.412 0.083 . 1 . . . . 30 LYS CB . 25349 1
353 . 1 1 30 30 LYS CD C 13 29.05 0.134 . 1 . . . . 30 LYS CD . 25349 1
354 . 1 1 30 30 LYS CE C 13 42.529 0.082 . 1 . . . . 30 LYS CE . 25349 1
355 . 1 1 30 30 LYS CG C 13 24.991 0.04 . 1 . . . . 30 LYS CG . 25349 1
356 . 1 1 30 30 LYS N N 15 119.758 0.059 . 1 . . . . 30 LYS N . 25349 1
357 . 1 1 31 31 THR H H 1 7.462 0.008 . 1 . . . . 31 THR H . 25349 1
358 . 1 1 31 31 THR HA H 1 4.574 0.019 . 1 . . . . 31 THR HA . 25349 1
359 . 1 1 31 31 THR HB H 1 3.978 0.012 . 1 . . . . 31 THR HB . 25349 1
360 . 1 1 31 31 THR HG21 H 1 1.136 0.007 . 1 . . . . 31 THR HG21 . 25349 1
361 . 1 1 31 31 THR HG22 H 1 1.136 0.007 . 1 . . . . 31 THR HG22 . 25349 1
362 . 1 1 31 31 THR HG23 H 1 1.136 0.007 . 1 . . . . 31 THR HG23 . 25349 1
363 . 1 1 31 31 THR C C 13 173.355 0.2 . 1 . . . . 31 THR C . 25349 1
364 . 1 1 31 31 THR CA C 13 60.997 0.045 . 1 . . . . 31 THR CA . 25349 1
365 . 1 1 31 31 THR CB C 13 71.856 0.035 . 1 . . . . 31 THR CB . 25349 1
366 . 1 1 31 31 THR CG2 C 13 21.42 0.038 . 1 . . . . 31 THR CG2 . 25349 1
367 . 1 1 31 31 THR N N 15 111.267 0.082 . 1 . . . . 31 THR N . 25349 1
368 . 1 1 32 32 THR H H 1 8.294 0.007 . 1 . . . . 32 THR H . 25349 1
369 . 1 1 32 32 THR HA H 1 5.197 0.006 . 1 . . . . 32 THR HA . 25349 1
370 . 1 1 32 32 THR HB H 1 3.835 0.016 . 1 . . . . 32 THR HB . 25349 1
371 . 1 1 32 32 THR HG21 H 1 0.98 0.004 . 1 . . . . 32 THR HG21 . 25349 1
372 . 1 1 32 32 THR HG22 H 1 0.98 0.004 . 1 . . . . 32 THR HG22 . 25349 1
373 . 1 1 32 32 THR HG23 H 1 0.98 0.004 . 1 . . . . 32 THR HG23 . 25349 1
374 . 1 1 32 32 THR C C 13 173.714 0.2 . 1 . . . . 32 THR C . 25349 1
375 . 1 1 32 32 THR CA C 13 60.597 0.082 . 1 . . . . 32 THR CA . 25349 1
376 . 1 1 32 32 THR CB C 13 71.058 0.122 . 1 . . . . 32 THR CB . 25349 1
377 . 1 1 32 32 THR CG2 C 13 21.882 0.023 . 1 . . . . 32 THR CG2 . 25349 1
378 . 1 1 32 32 THR N N 15 115.966 0.053 . 1 . . . . 32 THR N . 25349 1
379 . 1 1 33 33 THR H H 1 9.181 0.007 . 1 . . . . 33 THR H . 25349 1
380 . 1 1 33 33 THR HA H 1 4.813 0.013 . 1 . . . . 33 THR HA . 25349 1
381 . 1 1 33 33 THR HB H 1 4.351 0.006 . 1 . . . . 33 THR HB . 25349 1
382 . 1 1 33 33 THR HG21 H 1 1.556 0.004 . 1 . . . . 33 THR HG21 . 25349 1
383 . 1 1 33 33 THR HG22 H 1 1.556 0.004 . 1 . . . . 33 THR HG22 . 25349 1
384 . 1 1 33 33 THR HG23 H 1 1.556 0.004 . 1 . . . . 33 THR HG23 . 25349 1
385 . 1 1 33 33 THR C C 13 172.228 0.2 . 1 . . . . 33 THR C . 25349 1
386 . 1 1 33 33 THR CA C 13 59.37 0.118 . 1 . . . . 33 THR CA . 25349 1
387 . 1 1 33 33 THR CB C 13 69.742 0.033 . 1 . . . . 33 THR CB . 25349 1
388 . 1 1 33 33 THR CG2 C 13 20.273 0.028 . 1 . . . . 33 THR CG2 . 25349 1
389 . 1 1 33 33 THR N N 15 118.179 0.077 . 1 . . . . 33 THR N . 25349 1
390 . 1 1 34 34 TRP H H 1 8.7 0.009 . 1 . . . . 34 TRP H . 25349 1
391 . 1 1 34 34 TRP HA H 1 5.063 0.01 . 1 . . . . 34 TRP HA . 25349 1
392 . 1 1 34 34 TRP HB2 H 1 3.726 0.007 . 2 . . . . 34 TRP HB2 . 25349 1
393 . 1 1 34 34 TRP HB3 H 1 3.177 0.007 . 2 . . . . 34 TRP HB3 . 25349 1
394 . 1 1 34 34 TRP HD1 H 1 7.369 0.026 . 1 . . . . 34 TRP HD1 . 25349 1
395 . 1 1 34 34 TRP HE1 H 1 10.061 0.002 . 1 . . . . 34 TRP HE1 . 25349 1
396 . 1 1 34 34 TRP HH2 H 1 6.999 0.006 . 1 . . . . 34 TRP HH2 . 25349 1
397 . 1 1 34 34 TRP HZ2 H 1 7.279 0.006 . 1 . . . . 34 TRP HZ2 . 25349 1
398 . 1 1 34 34 TRP HZ3 H 1 6.847 0.003 . 1 . . . . 34 TRP HZ3 . 25349 1
399 . 1 1 34 34 TRP C C 13 176.658 0.2 . 1 . . . . 34 TRP C . 25349 1
400 . 1 1 34 34 TRP CA C 13 57.917 0.265 . 1 . . . . 34 TRP CA . 25349 1
401 . 1 1 34 34 TRP CB C 13 30.45 0.025 . 1 . . . . 34 TRP CB . 25349 1
402 . 1 1 34 34 TRP CD1 C 13 128.008 0.013 . 1 . . . . 34 TRP CD1 . 25349 1
403 . 1 1 34 34 TRP CH2 C 13 123.98 0.016 . 1 . . . . 34 TRP CH2 . 25349 1
404 . 1 1 34 34 TRP CZ2 C 13 114.25 0.004 . 1 . . . . 34 TRP CZ2 . 25349 1
405 . 1 1 34 34 TRP CZ3 C 13 121.313 0.02 . 1 . . . . 34 TRP CZ3 . 25349 1
406 . 1 1 34 34 TRP N N 15 124.933 0.071 . 1 . . . . 34 TRP N . 25349 1
407 . 1 1 34 34 TRP NE1 N 15 128.742 0.016 . 1 . . . . 34 TRP NE1 . 25349 1
408 . 1 1 35 35 GLU H H 1 8.65 0.006 . 1 . . . . 35 GLU H . 25349 1
409 . 1 1 35 35 GLU HA H 1 4.354 0.005 . 1 . . . . 35 GLU HA . 25349 1
410 . 1 1 35 35 GLU HB2 H 1 1.919 0.005 . 2 . . . . 35 GLU HB2 . 25349 1
411 . 1 1 35 35 GLU HB3 H 1 1.919 0.005 . 2 . . . . 35 GLU HB3 . 25349 1
412 . 1 1 35 35 GLU HG2 H 1 2.17 0.036 . 2 . . . . 35 GLU HG2 . 25349 1
413 . 1 1 35 35 GLU HG3 H 1 2.218 0.044 . 2 . . . . 35 GLU HG3 . 25349 1
414 . 1 1 35 35 GLU C C 13 174.243 0.2 . 1 . . . . 35 GLU C . 25349 1
415 . 1 1 35 35 GLU CA C 13 55.664 0.129 . 1 . . . . 35 GLU CA . 25349 1
416 . 1 1 35 35 GLU CB C 13 30.419 0.022 . 1 . . . . 35 GLU CB . 25349 1
417 . 1 1 35 35 GLU CG C 13 36.329 0.044 . 1 . . . . 35 GLU CG . 25349 1
418 . 1 1 35 35 GLU N N 15 122.061 0.071 . 1 . . . . 35 GLU N . 25349 1
419 . 1 1 36 36 ASP H H 1 8.21 0.007 . 1 . . . . 36 ASP H . 25349 1
420 . 1 1 36 36 ASP HA H 1 2.823 0.05 . 1 . . . . 36 ASP HA . 25349 1
421 . 1 1 36 36 ASP HB2 H 1 2.65 0.009 . 2 . . . . 36 ASP HB2 . 25349 1
422 . 1 1 36 36 ASP HB3 H 1 2.326 0.007 . 2 . . . . 36 ASP HB3 . 25349 1
423 . 1 1 36 36 ASP CA C 13 50.762 0.008 . 1 . . . . 36 ASP CA . 25349 1
424 . 1 1 36 36 ASP CB C 13 42.073 0.064 . 1 . . . . 36 ASP CB . 25349 1
425 . 1 1 36 36 ASP N N 15 126.259 0.064 . 1 . . . . 36 ASP N . 25349 1
426 . 1 1 37 37 PRO HA H 1 4.029 0.01 . 1 . . . . 37 PRO HA . 25349 1
427 . 1 1 37 37 PRO HB2 H 1 1.116 0.021 . 2 . . . . 37 PRO HB2 . 25349 1
428 . 1 1 37 37 PRO HB3 H 1 1.108 0.029 . 2 . . . . 37 PRO HB3 . 25349 1
429 . 1 1 37 37 PRO HD2 H 1 2.84 0.013 . 2 . . . . 37 PRO HD2 . 25349 1
430 . 1 1 37 37 PRO HD3 H 1 2.84 0.017 . 2 . . . . 37 PRO HD3 . 25349 1
431 . 1 1 37 37 PRO HG2 H 1 0.741 0.021 . 2 . . . . 37 PRO HG2 . 25349 1
432 . 1 1 37 37 PRO HG3 H 1 0.424 0.028 . 2 . . . . 37 PRO HG3 . 25349 1
433 . 1 1 37 37 PRO C C 13 178.022 0.2 . 1 . . . . 37 PRO C . 25349 1
434 . 1 1 37 37 PRO CA C 13 63.465 0.043 . 1 . . . . 37 PRO CA . 25349 1
435 . 1 1 37 37 PRO CB C 13 31.334 0.047 . 1 . . . . 37 PRO CB . 25349 1
436 . 1 1 37 37 PRO CD C 13 50.098 0.04 . 1 . . . . 37 PRO CD . 25349 1
437 . 1 1 37 37 PRO CG C 13 26.071 0.023 . 1 . . . . 37 PRO CG . 25349 1
438 . 1 1 38 38 ARG H H 1 8.376 0.007 . 1 . . . . 38 ARG H . 25349 1
439 . 1 1 38 38 ARG HA H 1 3.889 0.006 . 1 . . . . 38 ARG HA . 25349 1
440 . 1 1 38 38 ARG HB2 H 1 1.821 0.015 . 2 . . . . 38 ARG HB2 . 25349 1
441 . 1 1 38 38 ARG HB3 H 1 1.623 0.013 . 2 . . . . 38 ARG HB3 . 25349 1
442 . 1 1 38 38 ARG HD2 H 1 2.99 0.015 . 2 . . . . 38 ARG HD2 . 25349 1
443 . 1 1 38 38 ARG HD3 H 1 2.99 0.015 . 2 . . . . 38 ARG HD3 . 25349 1
444 . 1 1 38 38 ARG HE H 1 8.677 0.028 . 1 . . . . 38 ARG HE . 25349 1
445 . 1 1 38 38 ARG HG2 H 1 1.254 0.02 . 2 . . . . 38 ARG HG2 . 25349 1
446 . 1 1 38 38 ARG HG3 H 1 1.253 0.02 . 2 . . . . 38 ARG HG3 . 25349 1
447 . 1 1 38 38 ARG C C 13 176.963 0.2 . 1 . . . . 38 ARG C . 25349 1
448 . 1 1 38 38 ARG CA C 13 57.102 0.116 . 1 . . . . 38 ARG CA . 25349 1
449 . 1 1 38 38 ARG CB C 13 29.945 0.025 . 1 . . . . 38 ARG CB . 25349 1
450 . 1 1 38 38 ARG CD C 13 43.351 0.092 . 1 . . . . 38 ARG CD . 25349 1
451 . 1 1 38 38 ARG CG C 13 26.85 0.033 . 1 . . . . 38 ARG CG . 25349 1
452 . 1 1 38 38 ARG N N 15 118.747 0.059 . 1 . . . . 38 ARG N . 25349 1
453 . 1 1 38 38 ARG NE N 15 116.026 0.2 . 1 . . . . 38 ARG NE . 25349 1
454 . 1 1 39 39 LEU H H 1 7.312 0.008 . 1 . . . . 39 LEU H . 25349 1
455 . 1 1 39 39 LEU HA H 1 4.237 0.005 . 1 . . . . 39 LEU HA . 25349 1
456 . 1 1 39 39 LEU HB2 H 1 1.572 0.007 . 2 . . . . 39 LEU HB2 . 25349 1
457 . 1 1 39 39 LEU HB3 H 1 1.644 0.004 . 2 . . . . 39 LEU HB3 . 25349 1
458 . 1 1 39 39 LEU HD11 H 1 0.937 0.004 . 2 . . . . 39 LEU HD11 . 25349 1
459 . 1 1 39 39 LEU HD12 H 1 0.937 0.004 . 2 . . . . 39 LEU HD12 . 25349 1
460 . 1 1 39 39 LEU HD13 H 1 0.937 0.004 . 2 . . . . 39 LEU HD13 . 25349 1
461 . 1 1 39 39 LEU HD21 H 1 0.785 0.005 . 2 . . . . 39 LEU HD21 . 25349 1
462 . 1 1 39 39 LEU HD22 H 1 0.785 0.005 . 2 . . . . 39 LEU HD22 . 25349 1
463 . 1 1 39 39 LEU HD23 H 1 0.785 0.005 . 2 . . . . 39 LEU HD23 . 25349 1
464 . 1 1 39 39 LEU HG H 1 1.433 0.015 . 1 . . . . 39 LEU HG . 25349 1
465 . 1 1 39 39 LEU C C 13 176.911 0.2 . 1 . . . . 39 LEU C . 25349 1
466 . 1 1 39 39 LEU CA C 13 54.773 0.059 . 1 . . . . 39 LEU CA . 25349 1
467 . 1 1 39 39 LEU CB C 13 42.129 0.057 . 1 . . . . 39 LEU CB . 25349 1
468 . 1 1 39 39 LEU CD1 C 13 25.163 0.031 . 2 . . . . 39 LEU CD1 . 25349 1
469 . 1 1 39 39 LEU CD2 C 13 22.678 0.025 . 2 . . . . 39 LEU CD2 . 25349 1
470 . 1 1 39 39 LEU CG C 13 27.135 0.016 . 1 . . . . 39 LEU CG . 25349 1
471 . 1 1 39 39 LEU N N 15 117.856 0.081 . 1 . . . . 39 LEU N . 25349 1
472 . 1 1 40 40 LYS H H 1 7.448 0.007 . 1 . . . . 40 LYS H . 25349 1
473 . 1 1 40 40 LYS HA H 1 4.257 0.007 . 1 . . . . 40 LYS HA . 25349 1
474 . 1 1 40 40 LYS HB2 H 1 1.628 0.01 . 2 . . . . 40 LYS HB2 . 25349 1
475 . 1 1 40 40 LYS HB3 H 1 1.752 0.007 . 2 . . . . 40 LYS HB3 . 25349 1
476 . 1 1 40 40 LYS HD2 H 1 1.754 0.012 . 2 . . . . 40 LYS HD2 . 25349 1
477 . 1 1 40 40 LYS HD3 H 1 1.615 0.009 . 2 . . . . 40 LYS HD3 . 25349 1
478 . 1 1 40 40 LYS HE2 H 1 2.943 0.008 . 2 . . . . 40 LYS HE2 . 25349 1
479 . 1 1 40 40 LYS HE3 H 1 2.944 0.012 . 2 . . . . 40 LYS HE3 . 25349 1
480 . 1 1 40 40 LYS HG2 H 1 1.297 0.016 . 2 . . . . 40 LYS HG2 . 25349 1
481 . 1 1 40 40 LYS HG3 H 1 1.315 0.027 . 2 . . . . 40 LYS HG3 . 25349 1
482 . 1 1 40 40 LYS C C 13 175.891 0.2 . 1 . . . . 40 LYS C . 25349 1
483 . 1 1 40 40 LYS CA C 13 55.716 0.131 . 1 . . . . 40 LYS CA . 25349 1
484 . 1 1 40 40 LYS CB C 13 33.027 0.054 . 1 . . . . 40 LYS CB . 25349 1
485 . 1 1 40 40 LYS CD C 13 29.04 0.047 . 1 . . . . 40 LYS CD . 25349 1
486 . 1 1 40 40 LYS CE C 13 42.269 0.079 . 1 . . . . 40 LYS CE . 25349 1
487 . 1 1 40 40 LYS CG C 13 24.644 0.029 . 1 . . . . 40 LYS CG . 25349 1
488 . 1 1 40 40 LYS N N 15 120.141 0.057 . 1 . . . . 40 LYS N . 25349 1
489 . 1 1 41 41 ILE H H 1 7.975 0.007 . 1 . . . . 41 ILE H . 25349 1
490 . 1 1 41 41 ILE HA H 1 4.35 0.007 . 1 . . . . 41 ILE HA . 25349 1
491 . 1 1 41 41 ILE HB H 1 1.806 0.006 . 1 . . . . 41 ILE HB . 25349 1
492 . 1 1 41 41 ILE HD11 H 1 0.825 0.007 . 1 . . . . 41 ILE HD11 . 25349 1
493 . 1 1 41 41 ILE HD12 H 1 0.825 0.007 . 1 . . . . 41 ILE HD12 . 25349 1
494 . 1 1 41 41 ILE HD13 H 1 0.825 0.007 . 1 . . . . 41 ILE HD13 . 25349 1
495 . 1 1 41 41 ILE HG12 H 1 1.468 0.005 . 2 . . . . 41 ILE HG12 . 25349 1
496 . 1 1 41 41 ILE HG13 H 1 1.122 0.006 . 2 . . . . 41 ILE HG13 . 25349 1
497 . 1 1 41 41 ILE HG21 H 1 0.923 0.006 . 1 . . . . 41 ILE HG21 . 25349 1
498 . 1 1 41 41 ILE HG22 H 1 0.923 0.006 . 1 . . . . 41 ILE HG22 . 25349 1
499 . 1 1 41 41 ILE HG23 H 1 0.923 0.006 . 1 . . . . 41 ILE HG23 . 25349 1
500 . 1 1 41 41 ILE CA C 13 58.57 0.077 . 1 . . . . 41 ILE CA . 25349 1
501 . 1 1 41 41 ILE CB C 13 38.754 0.039 . 1 . . . . 41 ILE CB . 25349 1
502 . 1 1 41 41 ILE CD1 C 13 12.654 0.072 . 1 . . . . 41 ILE CD1 . 25349 1
503 . 1 1 41 41 ILE CG1 C 13 27.043 0.028 . 1 . . . . 41 ILE CG1 . 25349 1
504 . 1 1 41 41 ILE CG2 C 13 16.96 0.029 . 1 . . . . 41 ILE CG2 . 25349 1
505 . 1 1 41 41 ILE N N 15 124.111 0.063 . 1 . . . . 41 ILE N . 25349 1
506 . 1 1 42 42 PRO HA H 1 4.347 0.003 . 1 . . . . 42 PRO HA . 25349 1
507 . 1 1 42 42 PRO HB2 H 1 2.248 0.006 . 2 . . . . 42 PRO HB2 . 25349 1
508 . 1 1 42 42 PRO HB3 H 1 2.248 0.006 . 2 . . . . 42 PRO HB3 . 25349 1
509 . 1 1 42 42 PRO HD2 H 1 3.83 0.01 . 2 . . . . 42 PRO HD2 . 25349 1
510 . 1 1 42 42 PRO HD3 H 1 3.588 0.006 . 2 . . . . 42 PRO HD3 . 25349 1
511 . 1 1 42 42 PRO HG2 H 1 1.994 0.004 . 2 . . . . 42 PRO HG2 . 25349 1
512 . 1 1 42 42 PRO HG3 H 1 1.916 0.005 . 2 . . . . 42 PRO HG3 . 25349 1
513 . 1 1 42 42 PRO C C 13 175.612 0.2 . 1 . . . . 42 PRO C . 25349 1
514 . 1 1 42 42 PRO CA C 13 63.445 0.059 . 1 . . . . 42 PRO CA . 25349 1
515 . 1 1 42 42 PRO CB C 13 32.009 0.029 . 1 . . . . 42 PRO CB . 25349 1
516 . 1 1 42 42 PRO CD C 13 50.75 0.287 . 1 . . . . 42 PRO CD . 25349 1
517 . 1 1 42 42 PRO CG C 13 27.372 0.018 . 1 . . . . 42 PRO CG . 25349 1
518 . 1 1 43 43 ALA H H 1 7.945 0.005 . 1 . . . . 43 ALA H . 25349 1
519 . 1 1 43 43 ALA HA H 1 4.117 0.01 . 1 . . . . 43 ALA HA . 25349 1
520 . 1 1 43 43 ALA HB1 H 1 1.334 0.005 . 1 . . . . 43 ALA HB1 . 25349 1
521 . 1 1 43 43 ALA HB2 H 1 1.334 0.005 . 1 . . . . 43 ALA HB2 . 25349 1
522 . 1 1 43 43 ALA HB3 H 1 1.334 0.005 . 1 . . . . 43 ALA HB3 . 25349 1
523 . 1 1 43 43 ALA CA C 13 53.715 0.054 . 1 . . . . 43 ALA CA . 25349 1
524 . 1 1 43 43 ALA CB C 13 20.224 0.065 . 1 . . . . 43 ALA CB . 25349 1
525 . 1 1 43 43 ALA N N 15 130.261 0.071 . 1 . . . . 43 ALA N . 25349 1
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