Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30009
_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 $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.3
_Assigned_chem_shift_list.Chem_shift_15N_err 0.2
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 30009 1
2 '3D CBCA(CO)NH' . . . 30009 1
3 '3D HNCO' . . . 30009 1
4 '3D HNCACB' . . . 30009 1
5 '3D 1H-15N NOESY' . . . 30009 1
6 '3D HCCH TOCSY' . . . 30009 1
7 '3D 1H-13C NOESY aliphatic' . . . 30009 1
8 '3D 1H-13C NOESY aromatic' . . . 30009 1
9 '3D HBHA(CO)NH' . . . 30009 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 30009 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.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 SER C C 13 170.662 0.000 . 1 . . . 1 A 1 SER C . 30009 1
2 . 1 1 1 1 SER CA C 13 57.499 0.003 . 1 . . . 1 A 1 SER CA . 30009 1
3 . 1 1 1 1 SER CB C 13 63.053 0.000 . 1 . . . 1 A 1 SER CB . 30009 1
4 . 1 1 1 1 SER HA H 1 4.154 0.004 . 1 . . . 1 A 1 SER HA . 30009 1
5 . 1 1 1 1 SER HB2 H 1 3.979 0.000 . 2 . . . 1 A 1 SER HB2 . 30009 1
6 . 1 1 1 1 SER HB3 H 1 3.979 0.000 . 2 . . . 1 A 1 SER HB3 . 30009 1
7 . 1 1 2 2 GLU C C 13 175.847 0.000 . 1 . . . 1 A 2 GLU C . 30009 1
8 . 1 1 2 2 GLU CA C 13 56.395 0.005 . 1 . . . 1 A 2 GLU CA . 30009 1
9 . 1 1 2 2 GLU CB C 13 30.430 0.000 . 1 . . . 1 A 2 GLU CB . 30009 1
10 . 1 1 2 2 GLU CG C 13 36.029 0.000 . 1 . . . 1 A 2 GLU CG . 30009 1
11 . 1 1 2 2 GLU H H 1 8.809 0.001 . 1 . . . 1 A 2 GLU H . 30009 1
12 . 1 1 2 2 GLU HA H 1 4.431 0.001 . 1 . . . 1 A 2 GLU HA . 30009 1
13 . 1 1 2 2 GLU HB2 H 1 2.128 0.010 . 2 . . . 1 A 2 GLU HB2 . 30009 1
14 . 1 1 2 2 GLU HB3 H 1 1.949 0.003 . 2 . . . 1 A 2 GLU HB3 . 30009 1
15 . 1 1 2 2 GLU N N 15 121.416 0.013 . 1 . . . 1 A 2 GLU N . 30009 1
16 . 1 1 2 2 GLU HG2 H 1 2.293 0.000 . 2 . . . 1 A 2 GLU HG2 . 30009 1
17 . 1 1 2 2 GLU HG3 H 1 2.293 0.000 . 2 . . . 1 A 2 GLU HG3 . 30009 1
18 . 1 1 3 3 ASP C C 13 175.519 0.000 . 1 . . . 1 A 3 ASP C . 30009 1
19 . 1 1 3 3 ASP CA C 13 54.190 0.000 . 1 . . . 1 A 3 ASP CA . 30009 1
20 . 1 1 3 3 ASP CB C 13 41.044 0.023 . 1 . . . 1 A 3 ASP CB . 30009 1
21 . 1 1 3 3 ASP H H 1 8.557 0.004 . 1 . . . 1 A 3 ASP H . 30009 1
22 . 1 1 3 3 ASP HA H 1 4.686 0.002 . 1 . . . 1 A 3 ASP HA . 30009 1
23 . 1 1 3 3 ASP HB2 H 1 2.732 0.007 . 2 . . . 1 A 3 ASP HB2 . 30009 1
24 . 1 1 3 3 ASP HB3 H 1 2.589 0.006 . 2 . . . 1 A 3 ASP HB3 . 30009 1
25 . 1 1 3 3 ASP N N 15 122.670 0.031 . 1 . . . 1 A 3 ASP N . 30009 1
26 . 1 1 4 4 CYS C C 13 173.141 0.000 . 1 . . . 1 A 4 CYS C . 30009 1
27 . 1 1 4 4 CYS CA C 13 54.173 0.000 . 1 . . . 1 A 4 CYS CA . 30009 1
28 . 1 1 4 4 CYS CB C 13 43.241 0.038 . 1 . . . 1 A 4 CYS CB . 30009 1
29 . 1 1 4 4 CYS H H 1 8.167 0.003 . 1 . . . 1 A 4 CYS H . 30009 1
30 . 1 1 4 4 CYS HA H 1 4.902 0.004 . 1 . . . 1 A 4 CYS HA . 30009 1
31 . 1 1 4 4 CYS N N 15 116.311 0.007 . 1 . . . 1 A 4 CYS N . 30009 1
32 . 1 1 4 4 CYS HB2 H 1 3.240 0.004 . 2 . . . 1 A 4 CYS HB2 . 30009 1
33 . 1 1 4 4 CYS HB3 H 1 3.240 0.004 . 2 . . . 1 A 4 CYS HB3 . 30009 1
34 . 1 1 5 5 LEU C C 13 175.050 0.000 . 1 . . . 1 A 5 LEU C . 30009 1
35 . 1 1 5 5 LEU CA C 13 54.436 0.018 . 1 . . . 1 A 5 LEU CA . 30009 1
36 . 1 1 5 5 LEU CB C 13 43.287 0.032 . 1 . . . 1 A 5 LEU CB . 30009 1
37 . 1 1 5 5 LEU CD1 C 13 26.233 0.000 . 2 . . . 1 A 5 LEU CD1 . 30009 1
38 . 1 1 5 5 LEU CD2 C 13 21.960 0.043 . 2 . . . 1 A 5 LEU CD2 . 30009 1
39 . 1 1 5 5 LEU CG C 13 26.267 0.078 . 1 . . . 1 A 5 LEU CG . 30009 1
40 . 1 1 5 5 LEU H H 1 8.649 0.009 . 1 . . . 1 A 5 LEU H . 30009 1
41 . 1 1 5 5 LEU HA H 1 4.410 0.003 . 1 . . . 1 A 5 LEU HA . 30009 1
42 . 1 1 5 5 LEU HB2 H 1 1.764 0.010 . 2 . . . 1 A 5 LEU HB2 . 30009 1
43 . 1 1 5 5 LEU HB3 H 1 1.470 0.009 . 2 . . . 1 A 5 LEU HB3 . 30009 1
44 . 1 1 5 5 LEU HG H 1 1.569 0.005 . 1 . . . 1 A 5 LEU HG . 30009 1
45 . 1 1 5 5 LEU N N 15 120.935 0.015 . 1 . . . 1 A 5 LEU N . 30009 1
46 . 1 1 5 5 LEU HD11 H 1 0.927 0.008 . 2 . . . 1 A 5 LEU HD11 . 30009 1
47 . 1 1 5 5 LEU HD12 H 1 0.927 0.008 . 2 . . . 1 A 5 LEU HD12 . 30009 1
48 . 1 1 5 5 LEU HD13 H 1 0.927 0.008 . 2 . . . 1 A 5 LEU HD13 . 30009 1
49 . 1 1 5 5 LEU HD21 H 1 0.831 0.006 . 2 . . . 1 A 5 LEU HD21 . 30009 1
50 . 1 1 5 5 LEU HD22 H 1 0.831 0.006 . 2 . . . 1 A 5 LEU HD22 . 30009 1
51 . 1 1 5 5 LEU HD23 H 1 0.831 0.006 . 2 . . . 1 A 5 LEU HD23 . 30009 1
52 . 1 1 6 6 GLY C C 13 172.888 0.000 . 1 . . . 1 A 6 GLY C . 30009 1
53 . 1 1 6 6 GLY CA C 13 43.195 0.043 . 1 . . . 1 A 6 GLY CA . 30009 1
54 . 1 1 6 6 GLY H H 1 8.292 0.003 . 1 . . . 1 A 6 GLY H . 30009 1
55 . 1 1 6 6 GLY HA2 H 1 3.954 0.004 . 2 . . . 1 A 6 GLY HA2 . 30009 1
56 . 1 1 6 6 GLY HA3 H 1 3.609 0.001 . 2 . . . 1 A 6 GLY HA3 . 30009 1
57 . 1 1 6 6 GLY N N 15 109.114 0.028 . 1 . . . 1 A 6 GLY N . 30009 1
58 . 1 1 7 7 TRP C C 13 176.734 0.000 . 1 . . . 1 A 7 TRP C . 30009 1
59 . 1 1 7 7 TRP CA C 13 59.291 0.044 . 1 . . . 1 A 7 TRP CA . 30009 1
60 . 1 1 7 7 TRP CB C 13 28.433 0.061 . 1 . . . 1 A 7 TRP CB . 30009 1
61 . 1 1 7 7 TRP CD1 C 13 126.954 0.039 . 1 . . . 1 A 7 TRP CD1 . 30009 1
62 . 1 1 7 7 TRP CE3 C 13 121.248 0.016 . 1 . . . 1 A 7 TRP CE3 . 30009 1
63 . 1 1 7 7 TRP CH2 C 13 124.464 0.003 . 1 . . . 1 A 7 TRP CH2 . 30009 1
64 . 1 1 7 7 TRP CZ2 C 13 114.347 0.008 . 1 . . . 1 A 7 TRP CZ2 . 30009 1
65 . 1 1 7 7 TRP CZ3 C 13 121.598 0.000 . 1 . . . 1 A 7 TRP CZ3 . 30009 1
66 . 1 1 7 7 TRP H H 1 7.784 0.004 . 1 . . . 1 A 7 TRP H . 30009 1
67 . 1 1 7 7 TRP HA H 1 3.333 0.005 . 1 . . . 1 A 7 TRP HA . 30009 1
68 . 1 1 7 7 TRP HD1 H 1 6.972 0.007 . 1 . . . 1 A 7 TRP HD1 . 30009 1
69 . 1 1 7 7 TRP HE1 H 1 10.227 0.012 . 1 . . . 1 A 7 TRP HE1 . 30009 1
70 . 1 1 7 7 TRP HE3 H 1 7.329 0.002 . 1 . . . 1 A 7 TRP HE3 . 30009 1
71 . 1 1 7 7 TRP HH2 H 1 7.199 0.001 . 1 . . . 1 A 7 TRP HH2 . 30009 1
72 . 1 1 7 7 TRP HZ2 H 1 7.531 0.004 . 1 . . . 1 A 7 TRP HZ2 . 30009 1
73 . 1 1 7 7 TRP HZ3 H 1 6.911 0.006 . 1 . . . 1 A 7 TRP HZ3 . 30009 1
74 . 1 1 7 7 TRP N N 15 118.627 0.027 . 1 . . . 1 A 7 TRP N . 30009 1
75 . 1 1 7 7 TRP NE1 N 15 129.510 0.004 . 1 . . . 1 A 7 TRP NE1 . 30009 1
76 . 1 1 7 7 TRP HB2 H 1 2.902 0.004 . 2 . . . 1 A 7 TRP HB2 . 30009 1
77 . 1 1 7 7 TRP HB3 H 1 2.902 0.004 . 2 . . . 1 A 7 TRP HB3 . 30009 1
78 . 1 1 8 8 ALA C C 13 176.165 0.000 . 1 . . . 1 A 8 ALA C . 30009 1
79 . 1 1 8 8 ALA CA C 13 53.582 0.063 . 1 . . . 1 A 8 ALA CA . 30009 1
80 . 1 1 8 8 ALA CB C 13 15.474 0.068 . 1 . . . 1 A 8 ALA CB . 30009 1
81 . 1 1 8 8 ALA H H 1 8.214 0.004 . 1 . . . 1 A 8 ALA H . 30009 1
82 . 1 1 8 8 ALA HA H 1 3.186 0.009 . 1 . . . 1 A 8 ALA HA . 30009 1
83 . 1 1 8 8 ALA N N 15 123.506 0.019 . 1 . . . 1 A 8 ALA N . 30009 1
84 . 1 1 8 8 ALA HB1 H 1 0.156 0.007 . 1 . . . 1 A 8 ALA HB1 . 30009 1
85 . 1 1 8 8 ALA HB2 H 1 0.156 0.007 . 1 . . . 1 A 8 ALA HB2 . 30009 1
86 . 1 1 8 8 ALA HB3 H 1 0.156 0.007 . 1 . . . 1 A 8 ALA HB3 . 30009 1
87 . 1 1 9 9 SER C C 13 174.100 0.000 . 1 . . . 1 A 9 SER C . 30009 1
88 . 1 1 9 9 SER CA C 13 59.428 0.062 . 1 . . . 1 A 9 SER CA . 30009 1
89 . 1 1 9 9 SER CB C 13 64.664 0.115 . 1 . . . 1 A 9 SER CB . 30009 1
90 . 1 1 9 9 SER H H 1 7.734 0.004 . 1 . . . 1 A 9 SER H . 30009 1
91 . 1 1 9 9 SER HA H 1 4.301 0.001 . 1 . . . 1 A 9 SER HA . 30009 1
92 . 1 1 9 9 SER N N 15 115.657 0.025 . 1 . . . 1 A 9 SER N . 30009 1
93 . 1 1 9 9 SER HB2 H 1 3.757 0.003 . 2 . . . 1 A 9 SER HB2 . 30009 1
94 . 1 1 9 9 SER HB3 H 1 3.757 0.003 . 2 . . . 1 A 9 SER HB3 . 30009 1
95 . 1 1 10 10 ARG C C 13 175.865 0.000 . 1 . . . 1 A 10 ARG C . 30009 1
96 . 1 1 10 10 ARG CA C 13 56.385 0.000 . 1 . . . 1 A 10 ARG CA . 30009 1
97 . 1 1 10 10 ARG CB C 13 29.519 0.029 . 1 . . . 1 A 10 ARG CB . 30009 1
98 . 1 1 10 10 ARG CD C 13 42.753 0.000 . 1 . . . 1 A 10 ARG CD . 30009 1
99 . 1 1 10 10 ARG CG C 13 27.026 0.024 . 1 . . . 1 A 10 ARG CG . 30009 1
100 . 1 1 10 10 ARG H H 1 8.561 0.004 . 1 . . . 1 A 10 ARG H . 30009 1
101 . 1 1 10 10 ARG HA H 1 4.772 0.003 . 1 . . . 1 A 10 ARG HA . 30009 1
102 . 1 1 10 10 ARG HD2 H 1 3.304 0.001 . 2 . . . 1 A 10 ARG HD2 . 30009 1
103 . 1 1 10 10 ARG HD3 H 1 3.260 0.001 . 2 . . . 1 A 10 ARG HD3 . 30009 1
104 . 1 1 10 10 ARG HG2 H 1 1.792 0.001 . 2 . . . 1 A 10 ARG HG2 . 30009 1
105 . 1 1 10 10 ARG HG3 H 1 1.677 0.000 . 2 . . . 1 A 10 ARG HG3 . 30009 1
106 . 1 1 10 10 ARG N N 15 124.788 0.008 . 1 . . . 1 A 10 ARG N . 30009 1
107 . 1 1 10 10 ARG HB2 H 1 1.833 0.002 . 2 . . . 1 A 10 ARG HB2 . 30009 1
108 . 1 1 10 10 ARG HB3 H 1 1.833 0.002 . 2 . . . 1 A 10 ARG HB3 . 30009 1
109 . 1 1 11 11 CYS C C 13 171.660 0.000 . 1 . . . 1 A 11 CYS C . 30009 1
110 . 1 1 11 11 CYS CA C 13 53.798 0.000 . 1 . . . 1 A 11 CYS CA . 30009 1
111 . 1 1 11 11 CYS CB C 13 45.601 0.076 . 1 . . . 1 A 11 CYS CB . 30009 1
112 . 1 1 11 11 CYS H H 1 8.097 0.002 . 1 . . . 1 A 11 CYS H . 30009 1
113 . 1 1 11 11 CYS HA H 1 4.808 0.005 . 1 . . . 1 A 11 CYS HA . 30009 1
114 . 1 1 11 11 CYS HB2 H 1 3.099 0.004 . 2 . . . 1 A 11 CYS HB2 . 30009 1
115 . 1 1 11 11 CYS HB3 H 1 2.867 0.007 . 2 . . . 1 A 11 CYS HB3 . 30009 1
116 . 1 1 11 11 CYS N N 15 119.587 0.008 . 1 . . . 1 A 11 CYS N . 30009 1
117 . 1 1 12 12 SER CA C 13 52.964 0.025 . 1 . . . 1 A 12 SER CA . 30009 1
118 . 1 1 12 12 SER CB C 13 65.012 0.074 . 1 . . . 1 A 12 SER CB . 30009 1
119 . 1 1 12 12 SER H H 1 8.939 0.008 . 1 . . . 1 A 12 SER H . 30009 1
120 . 1 1 12 12 SER HA H 1 5.048 0.005 . 1 . . . 1 A 12 SER HA . 30009 1
121 . 1 1 12 12 SER HB2 H 1 3.809 0.000 . 2 . . . 1 A 12 SER HB2 . 30009 1
122 . 1 1 12 12 SER HB3 H 1 3.679 0.003 . 2 . . . 1 A 12 SER HB3 . 30009 1
123 . 1 1 12 12 SER N N 15 114.807 0.029 . 1 . . . 1 A 12 SER N . 30009 1
124 . 1 1 13 13 PRO C C 13 176.960 0.000 . 1 . . . 1 A 13 PRO C . 30009 1
125 . 1 1 13 13 PRO CA C 13 64.334 0.027 . 1 . . . 1 A 13 PRO CA . 30009 1
126 . 1 1 13 13 PRO CB C 13 32.124 0.035 . 1 . . . 1 A 13 PRO CB . 30009 1
127 . 1 1 13 13 PRO CD C 13 51.279 0.026 . 1 . . . 1 A 13 PRO CD . 30009 1
128 . 1 1 13 13 PRO CG C 13 27.826 0.063 . 1 . . . 1 A 13 PRO CG . 30009 1
129 . 1 1 13 13 PRO HA H 1 3.988 0.007 . 1 . . . 1 A 13 PRO HA . 30009 1
130 . 1 1 13 13 PRO HB2 H 1 2.122 0.005 . 2 . . . 1 A 13 PRO HB2 . 30009 1
131 . 1 1 13 13 PRO HB3 H 1 1.907 0.001 . 2 . . . 1 A 13 PRO HB3 . 30009 1
132 . 1 1 13 13 PRO HD2 H 1 3.839 0.001 . 2 . . . 1 A 13 PRO HD2 . 30009 1
133 . 1 1 13 13 PRO HD3 H 1 3.733 0.001 . 2 . . . 1 A 13 PRO HD3 . 30009 1
134 . 1 1 13 13 PRO HG2 H 1 1.973 0.008 . 2 . . . 1 A 13 PRO HG2 . 30009 1
135 . 1 1 13 13 PRO HG3 H 1 1.619 0.006 . 2 . . . 1 A 13 PRO HG3 . 30009 1
136 . 1 1 14 14 LYS C C 13 176.142 0.000 . 1 . . . 1 A 14 LYS C . 30009 1
137 . 1 1 14 14 LYS CA C 13 56.979 0.075 . 1 . . . 1 A 14 LYS CA . 30009 1
138 . 1 1 14 14 LYS CB C 13 32.513 0.058 . 1 . . . 1 A 14 LYS CB . 30009 1
139 . 1 1 14 14 LYS CD C 13 28.529 0.000 . 1 . . . 1 A 14 LYS CD . 30009 1
140 . 1 1 14 14 LYS CE C 13 42.067 0.000 . 1 . . . 1 A 14 LYS CE . 30009 1
141 . 1 1 14 14 LYS CG C 13 24.798 0.000 . 1 . . . 1 A 14 LYS CG . 30009 1
142 . 1 1 14 14 LYS H H 1 7.547 0.004 . 1 . . . 1 A 14 LYS H . 30009 1
143 . 1 1 14 14 LYS HA H 1 4.157 0.005 . 1 . . . 1 A 14 LYS HA . 30009 1
144 . 1 1 14 14 LYS HB2 H 1 1.779 0.003 . 2 . . . 1 A 14 LYS HB2 . 30009 1
145 . 1 1 14 14 LYS HB3 H 1 1.596 0.009 . 2 . . . 1 A 14 LYS HB3 . 30009 1
146 . 1 1 14 14 LYS HG2 H 1 1.384 0.004 . 2 . . . 1 A 14 LYS HG2 . 30009 1
147 . 1 1 14 14 LYS HG3 H 1 1.319 0.001 . 2 . . . 1 A 14 LYS HG3 . 30009 1
148 . 1 1 14 14 LYS N N 15 114.849 0.017 . 1 . . . 1 A 14 LYS N . 30009 1
149 . 1 1 14 14 LYS HD2 H 1 1.604 0.000 . 2 . . . 1 A 14 LYS HD2 . 30009 1
150 . 1 1 14 14 LYS HD3 H 1 1.604 0.000 . 2 . . . 1 A 14 LYS HD3 . 30009 1
151 . 1 1 14 14 LYS HE2 H 1 2.944 0.006 . 2 . . . 1 A 14 LYS HE2 . 30009 1
152 . 1 1 14 14 LYS HE3 H 1 2.944 0.006 . 2 . . . 1 A 14 LYS HE3 . 30009 1
153 . 1 1 15 15 ASN C C 13 173.566 0.000 . 1 . . . 1 A 15 ASN C . 30009 1
154 . 1 1 15 15 ASN CA C 13 52.521 0.000 . 1 . . . 1 A 15 ASN CA . 30009 1
155 . 1 1 15 15 ASN CB C 13 38.098 0.093 . 1 . . . 1 A 15 ASN CB . 30009 1
156 . 1 1 15 15 ASN H H 1 7.159 0.004 . 1 . . . 1 A 15 ASN H . 30009 1
157 . 1 1 15 15 ASN HA H 1 4.693 0.001 . 1 . . . 1 A 15 ASN HA . 30009 1
158 . 1 1 15 15 ASN HB2 H 1 2.665 0.007 . 2 . . . 1 A 15 ASN HB2 . 30009 1
159 . 1 1 15 15 ASN HB3 H 1 2.557 0.003 . 2 . . . 1 A 15 ASN HB3 . 30009 1
160 . 1 1 15 15 ASN HD21 H 1 7.491 0.003 . 2 . . . 1 A 15 ASN HD21 . 30009 1
161 . 1 1 15 15 ASN HD22 H 1 6.819 0.001 . 2 . . . 1 A 15 ASN HD22 . 30009 1
162 . 1 1 15 15 ASN N N 15 118.201 0.019 . 1 . . . 1 A 15 ASN N . 30009 1
163 . 1 1 15 15 ASN ND2 N 15 110.837 0.016 . 1 . . . 1 A 15 ASN ND2 . 30009 1
164 . 1 1 16 16 ASP C C 13 177.377 0.000 . 1 . . . 1 A 16 ASP C . 30009 1
165 . 1 1 16 16 ASP CA C 13 55.620 0.100 . 1 . . . 1 A 16 ASP CA . 30009 1
166 . 1 1 16 16 ASP CB C 13 41.408 0.066 . 1 . . . 1 A 16 ASP CB . 30009 1
167 . 1 1 16 16 ASP H H 1 8.509 0.002 . 1 . . . 1 A 16 ASP H . 30009 1
168 . 1 1 16 16 ASP HA H 1 4.343 0.002 . 1 . . . 1 A 16 ASP HA . 30009 1
169 . 1 1 16 16 ASP HB2 H 1 3.014 0.002 . 2 . . . 1 A 16 ASP HB2 . 30009 1
170 . 1 1 16 16 ASP HB3 H 1 2.488 0.003 . 2 . . . 1 A 16 ASP HB3 . 30009 1
171 . 1 1 16 16 ASP N N 15 124.159 0.021 . 1 . . . 1 A 16 ASP N . 30009 1
172 . 1 1 17 17 LYS C C 13 177.176 0.000 . 1 . . . 1 A 17 LYS C . 30009 1
173 . 1 1 17 17 LYS CA C 13 54.318 0.000 . 1 . . . 1 A 17 LYS CA . 30009 1
174 . 1 1 17 17 LYS CB C 13 31.352 0.016 . 1 . . . 1 A 17 LYS CB . 30009 1
175 . 1 1 17 17 LYS CD C 13 28.874 0.000 . 1 . . . 1 A 17 LYS CD . 30009 1
176 . 1 1 17 17 LYS CE C 13 42.157 0.000 . 1 . . . 1 A 17 LYS CE . 30009 1
177 . 1 1 17 17 LYS CG C 13 24.413 0.023 . 1 . . . 1 A 17 LYS CG . 30009 1
178 . 1 1 17 17 LYS H H 1 8.068 0.003 . 1 . . . 1 A 17 LYS H . 30009 1
179 . 1 1 17 17 LYS HA H 1 4.628 0.003 . 1 . . . 1 A 17 LYS HA . 30009 1
180 . 1 1 17 17 LYS HB2 H 1 2.361 0.003 . 2 . . . 1 A 17 LYS HB2 . 30009 1
181 . 1 1 17 17 LYS HB3 H 1 1.582 0.005 . 2 . . . 1 A 17 LYS HB3 . 30009 1
182 . 1 1 17 17 LYS HG2 H 1 1.486 0.001 . 2 . . . 1 A 17 LYS HG2 . 30009 1
183 . 1 1 17 17 LYS HG3 H 1 1.375 0.002 . 2 . . . 1 A 17 LYS HG3 . 30009 1
184 . 1 1 17 17 LYS N N 15 127.999 0.021 . 1 . . . 1 A 17 LYS N . 30009 1
185 . 1 1 17 17 LYS HD2 H 1 1.624 0.006 . 2 . . . 1 A 17 LYS HD2 . 30009 1
186 . 1 1 17 17 LYS HD3 H 1 1.624 0.006 . 2 . . . 1 A 17 LYS HD3 . 30009 1
187 . 1 1 17 17 LYS HE2 H 1 2.878 0.000 . 2 . . . 1 A 17 LYS HE2 . 30009 1
188 . 1 1 17 17 LYS HE3 H 1 2.878 0.000 . 2 . . . 1 A 17 LYS HE3 . 30009 1
189 . 1 1 18 18 CYS C C 13 175.894 0.000 . 1 . . . 1 A 18 CYS C . 30009 1
190 . 1 1 18 18 CYS CA C 13 57.006 0.037 . 1 . . . 1 A 18 CYS CA . 30009 1
191 . 1 1 18 18 CYS CB C 13 39.382 0.047 . 1 . . . 1 A 18 CYS CB . 30009 1
192 . 1 1 18 18 CYS H H 1 9.373 0.002 . 1 . . . 1 A 18 CYS H . 30009 1
193 . 1 1 18 18 CYS HA H 1 5.004 0.006 . 1 . . . 1 A 18 CYS HA . 30009 1
194 . 1 1 18 18 CYS N N 15 121.594 0.029 . 1 . . . 1 A 18 CYS N . 30009 1
195 . 1 1 18 18 CYS HB2 H 1 2.983 0.006 . 2 . . . 1 A 18 CYS HB2 . 30009 1
196 . 1 1 18 18 CYS HB3 H 1 2.983 0.006 . 2 . . . 1 A 18 CYS HB3 . 30009 1
197 . 1 1 19 19 CYS CA C 13 54.014 0.000 . 1 . . . 1 A 19 CYS CA . 30009 1
198 . 1 1 19 19 CYS CB C 13 38.504 0.039 . 1 . . . 1 A 19 CYS CB . 30009 1
199 . 1 1 19 19 CYS H H 1 9.888 0.003 . 1 . . . 1 A 19 CYS H . 30009 1
200 . 1 1 19 19 CYS HA H 1 4.794 0.001 . 1 . . . 1 A 19 CYS HA . 30009 1
201 . 1 1 19 19 CYS HB2 H 1 3.599 0.008 . 2 . . . 1 A 19 CYS HB2 . 30009 1
202 . 1 1 19 19 CYS HB3 H 1 2.567 0.007 . 2 . . . 1 A 19 CYS HB3 . 30009 1
203 . 1 1 19 19 CYS N N 15 123.013 0.012 . 1 . . . 1 A 19 CYS N . 30009 1
204 . 1 1 20 20 PRO C C 13 176.557 0.000 . 1 . . . 1 A 20 PRO C . 30009 1
205 . 1 1 20 20 PRO CA C 13 65.634 0.011 . 1 . . . 1 A 20 PRO CA . 30009 1
206 . 1 1 20 20 PRO CB C 13 31.911 0.000 . 1 . . . 1 A 20 PRO CB . 30009 1
207 . 1 1 20 20 PRO CD C 13 50.852 0.081 . 1 . . . 1 A 20 PRO CD . 30009 1
208 . 1 1 20 20 PRO CG C 13 27.704 0.042 . 1 . . . 1 A 20 PRO CG . 30009 1
209 . 1 1 20 20 PRO HA H 1 4.306 0.001 . 1 . . . 1 A 20 PRO HA . 30009 1
210 . 1 1 20 20 PRO HB2 H 1 2.345 0.004 . 2 . . . 1 A 20 PRO HB2 . 30009 1
211 . 1 1 20 20 PRO HB3 H 1 1.832 0.003 . 2 . . . 1 A 20 PRO HB3 . 30009 1
212 . 1 1 20 20 PRO HD2 H 1 3.977 0.003 . 2 . . . 1 A 20 PRO HD2 . 30009 1
213 . 1 1 20 20 PRO HD3 H 1 3.705 0.009 . 2 . . . 1 A 20 PRO HD3 . 30009 1
214 . 1 1 20 20 PRO HG2 H 1 2.092 0.005 . 2 . . . 1 A 20 PRO HG2 . 30009 1
215 . 1 1 20 20 PRO HG3 H 1 2.031 0.001 . 2 . . . 1 A 20 PRO HG3 . 30009 1
216 . 1 1 21 21 ASN C C 13 173.630 0.000 . 1 . . . 1 A 21 ASN C . 30009 1
217 . 1 1 21 21 ASN CA C 13 54.808 0.000 . 1 . . . 1 A 21 ASN CA . 30009 1
218 . 1 1 21 21 ASN CB C 13 37.200 0.000 . 1 . . . 1 A 21 ASN CB . 30009 1
219 . 1 1 21 21 ASN H H 1 8.165 0.005 . 1 . . . 1 A 21 ASN H . 30009 1
220 . 1 1 21 21 ASN HA H 1 4.370 0.009 . 1 . . . 1 A 21 ASN HA . 30009 1
221 . 1 1 21 21 ASN HD21 H 1 7.318 0.001 . 2 . . . 1 A 21 ASN HD21 . 30009 1
222 . 1 1 21 21 ASN HD22 H 1 6.810 0.010 . 2 . . . 1 A 21 ASN HD22 . 30009 1
223 . 1 1 21 21 ASN N N 15 113.181 0.032 . 1 . . . 1 A 21 ASN N . 30009 1
224 . 1 1 21 21 ASN ND2 N 15 112.015 0.015 . 1 . . . 1 A 21 ASN ND2 . 30009 1
225 . 1 1 21 21 ASN HB2 H 1 2.517 0.002 . 2 . . . 1 A 21 ASN HB2 . 30009 1
226 . 1 1 21 21 ASN HB3 H 1 2.517 0.002 . 2 . . . 1 A 21 ASN HB3 . 30009 1
227 . 1 1 22 22 TYR C C 13 173.668 0.000 . 1 . . . 1 A 22 TYR C . 30009 1
228 . 1 1 22 22 TYR CA C 13 55.742 0.072 . 1 . . . 1 A 22 TYR CA . 30009 1
229 . 1 1 22 22 TYR CB C 13 42.036 0.055 . 1 . . . 1 A 22 TYR CB . 30009 1
230 . 1 1 22 22 TYR CD1 C 13 132.436 0.046 . 1 . . . 1 A 22 TYR CD1 . 30009 1
231 . 1 1 22 22 TYR CD2 C 13 132.436 0.046 . 1 . . . 1 A 22 TYR CD2 . 30009 1
232 . 1 1 22 22 TYR CE1 C 13 118.249 0.020 . 1 . . . 1 A 22 TYR CE1 . 30009 1
233 . 1 1 22 22 TYR CE2 C 13 118.249 0.020 . 1 . . . 1 A 22 TYR CE2 . 30009 1
234 . 1 1 22 22 TYR H H 1 8.835 0.001 . 1 . . . 1 A 22 TYR H . 30009 1
235 . 1 1 22 22 TYR HA H 1 5.341 0.006 . 1 . . . 1 A 22 TYR HA . 30009 1
236 . 1 1 22 22 TYR HB2 H 1 3.058 0.002 . 2 . . . 1 A 22 TYR HB2 . 30009 1
237 . 1 1 22 22 TYR HB3 H 1 2.913 0.007 . 2 . . . 1 A 22 TYR HB3 . 30009 1
238 . 1 1 22 22 TYR N N 15 119.029 0.027 . 1 . . . 1 A 22 TYR N . 30009 1
239 . 1 1 22 22 TYR HD1 H 1 6.795 0.008 . 3 . . . 1 A 22 TYR HD1 . 30009 1
240 . 1 1 22 22 TYR HD2 H 1 6.795 0.008 . 3 . . . 1 A 22 TYR HD2 . 30009 1
241 . 1 1 22 22 TYR HE1 H 1 6.717 0.008 . 3 . . . 1 A 22 TYR HE1 . 30009 1
242 . 1 1 22 22 TYR HE2 H 1 6.717 0.008 . 3 . . . 1 A 22 TYR HE2 . 30009 1
243 . 1 1 23 23 LYS C C 13 175.931 0.000 . 1 . . . 1 A 23 LYS C . 30009 1
244 . 1 1 23 23 LYS CA C 13 54.961 0.015 . 1 . . . 1 A 23 LYS CA . 30009 1
245 . 1 1 23 23 LYS CB C 13 37.073 0.045 . 1 . . . 1 A 23 LYS CB . 30009 1
246 . 1 1 23 23 LYS CD C 13 29.309 0.011 . 1 . . . 1 A 23 LYS CD . 30009 1
247 . 1 1 23 23 LYS CE C 13 42.229 0.000 . 1 . . . 1 A 23 LYS CE . 30009 1
248 . 1 1 23 23 LYS CG C 13 24.858 0.002 . 1 . . . 1 A 23 LYS CG . 30009 1
249 . 1 1 23 23 LYS H H 1 9.100 0.007 . 1 . . . 1 A 23 LYS H . 30009 1
250 . 1 1 23 23 LYS HA H 1 4.566 0.006 . 1 . . . 1 A 23 LYS HA . 30009 1
251 . 1 1 23 23 LYS HG2 H 1 1.394 0.008 . 2 . . . 1 A 23 LYS HG2 . 30009 1
252 . 1 1 23 23 LYS HG3 H 1 1.298 0.000 . 2 . . . 1 A 23 LYS HG3 . 30009 1
253 . 1 1 23 23 LYS N N 15 118.345 0.032 . 1 . . . 1 A 23 LYS N . 30009 1
254 . 1 1 23 23 LYS HB2 H 1 1.603 0.003 . 2 . . . 1 A 23 LYS HB2 . 30009 1
255 . 1 1 23 23 LYS HB3 H 1 1.603 0.003 . 2 . . . 1 A 23 LYS HB3 . 30009 1
256 . 1 1 23 23 LYS HD2 H 1 1.665 0.001 . 2 . . . 1 A 23 LYS HD2 . 30009 1
257 . 1 1 23 23 LYS HD3 H 1 1.665 0.001 . 2 . . . 1 A 23 LYS HD3 . 30009 1
258 . 1 1 23 23 LYS HE2 H 1 2.996 0.002 . 2 . . . 1 A 23 LYS HE2 . 30009 1
259 . 1 1 23 23 LYS HE3 H 1 2.996 0.002 . 2 . . . 1 A 23 LYS HE3 . 30009 1
260 . 1 1 24 24 CYS C C 13 174.442 0.000 . 1 . . . 1 A 24 CYS C . 30009 1
261 . 1 1 24 24 CYS CA C 13 56.790 0.027 . 1 . . . 1 A 24 CYS CA . 30009 1
262 . 1 1 24 24 CYS CB C 13 38.456 0.040 . 1 . . . 1 A 24 CYS CB . 30009 1
263 . 1 1 24 24 CYS H H 1 10.415 0.006 . 1 . . . 1 A 24 CYS H . 30009 1
264 . 1 1 24 24 CYS HA H 1 4.383 0.009 . 1 . . . 1 A 24 CYS HA . 30009 1
265 . 1 1 24 24 CYS HB2 H 1 2.496 0.004 . 2 . . . 1 A 24 CYS HB2 . 30009 1
266 . 1 1 24 24 CYS HB3 H 1 3.130 0.005 . 2 . . . 1 A 24 CYS HB3 . 30009 1
267 . 1 1 24 24 CYS N N 15 129.728 0.008 . 1 . . . 1 A 24 CYS N . 30009 1
268 . 1 1 25 25 SER C C 13 176.008 0.000 . 1 . . . 1 A 25 SER C . 30009 1
269 . 1 1 25 25 SER CA C 13 57.164 0.044 . 1 . . . 1 A 25 SER CA . 30009 1
270 . 1 1 25 25 SER CB C 13 63.608 0.091 . 1 . . . 1 A 25 SER CB . 30009 1
271 . 1 1 25 25 SER H H 1 7.762 0.005 . 1 . . . 1 A 25 SER H . 30009 1
272 . 1 1 25 25 SER HA H 1 4.439 0.003 . 1 . . . 1 A 25 SER HA . 30009 1
273 . 1 1 25 25 SER HB2 H 1 3.716 0.004 . 2 . . . 1 A 25 SER HB2 . 30009 1
274 . 1 1 25 25 SER HB3 H 1 3.936 0.010 . 2 . . . 1 A 25 SER HB3 . 30009 1
275 . 1 1 25 25 SER N N 15 124.172 0.025 . 1 . . . 1 A 25 SER N . 30009 1
276 . 1 1 26 26 SER C C 13 174.166 0.000 . 1 . . . 1 A 26 SER C . 30009 1
277 . 1 1 26 26 SER CA C 13 61.181 0.023 . 1 . . . 1 A 26 SER CA . 30009 1
278 . 1 1 26 26 SER CB C 13 62.709 0.045 . 1 . . . 1 A 26 SER CB . 30009 1
279 . 1 1 26 26 SER H H 1 8.945 0.006 . 1 . . . 1 A 26 SER H . 30009 1
280 . 1 1 26 26 SER HA H 1 3.988 0.002 . 1 . . . 1 A 26 SER HA . 30009 1
281 . 1 1 26 26 SER HB2 H 1 3.916 0.001 . 2 . . . 1 A 26 SER HB2 . 30009 1
282 . 1 1 26 26 SER HB3 H 1 3.838 0.001 . 2 . . . 1 A 26 SER HB3 . 30009 1
283 . 1 1 26 26 SER N N 15 125.468 0.023 . 1 . . . 1 A 26 SER N . 30009 1
284 . 1 1 27 27 LYS C C 13 176.882 0.000 . 1 . . . 1 A 27 LYS C . 30009 1
285 . 1 1 27 27 LYS CA C 13 57.681 0.056 . 1 . . . 1 A 27 LYS CA . 30009 1
286 . 1 1 27 27 LYS CB C 13 33.562 0.032 . 1 . . . 1 A 27 LYS CB . 30009 1
287 . 1 1 27 27 LYS CD C 13 28.900 0.000 . 1 . . . 1 A 27 LYS CD . 30009 1
288 . 1 1 27 27 LYS CE C 13 41.993 0.000 . 1 . . . 1 A 27 LYS CE . 30009 1
289 . 1 1 27 27 LYS CG C 13 24.550 0.000 . 1 . . . 1 A 27 LYS CG . 30009 1
290 . 1 1 27 27 LYS H H 1 7.645 0.010 . 1 . . . 1 A 27 LYS H . 30009 1
291 . 1 1 27 27 LYS HA H 1 4.183 0.003 . 1 . . . 1 A 27 LYS HA . 30009 1
292 . 1 1 27 27 LYS HB2 H 1 1.639 0.007 . 2 . . . 1 A 27 LYS HB2 . 30009 1
293 . 1 1 27 27 LYS HB3 H 1 1.498 0.001 . 2 . . . 1 A 27 LYS HB3 . 30009 1
294 . 1 1 27 27 LYS HG2 H 1 1.310 0.000 . 2 . . . 1 A 27 LYS HG2 . 30009 1
295 . 1 1 27 27 LYS HG3 H 1 1.238 0.001 . 2 . . . 1 A 27 LYS HG3 . 30009 1
296 . 1 1 27 27 LYS N N 15 119.237 0.024 . 1 . . . 1 A 27 LYS N . 30009 1
297 . 1 1 27 27 LYS HD2 H 1 1.554 0.000 . 2 . . . 1 A 27 LYS HD2 . 30009 1
298 . 1 1 27 27 LYS HD3 H 1 1.554 0.000 . 2 . . . 1 A 27 LYS HD3 . 30009 1
299 . 1 1 27 27 LYS HE2 H 1 2.930 0.000 . 2 . . . 1 A 27 LYS HE2 . 30009 1
300 . 1 1 27 27 LYS HE3 H 1 2.930 0.000 . 2 . . . 1 A 27 LYS HE3 . 30009 1
301 . 1 1 28 28 ASP C C 13 174.746 0.000 . 1 . . . 1 A 28 ASP C . 30009 1
302 . 1 1 28 28 ASP CA C 13 54.743 0.069 . 1 . . . 1 A 28 ASP CA . 30009 1
303 . 1 1 28 28 ASP CB C 13 41.719 0.053 . 1 . . . 1 A 28 ASP CB . 30009 1
304 . 1 1 28 28 ASP H H 1 7.329 0.009 . 1 . . . 1 A 28 ASP H . 30009 1
305 . 1 1 28 28 ASP HA H 1 4.413 0.007 . 1 . . . 1 A 28 ASP HA . 30009 1
306 . 1 1 28 28 ASP HB2 H 1 1.686 0.015 . 2 . . . 1 A 28 ASP HB2 . 30009 1
307 . 1 1 28 28 ASP HB3 H 1 1.413 0.012 . 2 . . . 1 A 28 ASP HB3 . 30009 1
308 . 1 1 28 28 ASP N N 15 114.522 0.013 . 1 . . . 1 A 28 ASP N . 30009 1
309 . 1 1 29 29 LEU C C 13 176.075 0.000 . 1 . . . 1 A 29 LEU C . 30009 1
310 . 1 1 29 29 LEU CA C 13 55.935 0.088 . 1 . . . 1 A 29 LEU CA . 30009 1
311 . 1 1 29 29 LEU CB C 13 37.259 0.000 . 1 . . . 1 A 29 LEU CB . 30009 1
312 . 1 1 29 29 LEU CD1 C 13 25.565 0.000 . 2 . . . 1 A 29 LEU CD1 . 30009 1
313 . 1 1 29 29 LEU CD2 C 13 23.560 0.021 . 2 . . . 1 A 29 LEU CD2 . 30009 1
314 . 1 1 29 29 LEU CG C 13 27.086 0.032 . 1 . . . 1 A 29 LEU CG . 30009 1
315 . 1 1 29 29 LEU H H 1 8.053 0.003 . 1 . . . 1 A 29 LEU H . 30009 1
316 . 1 1 29 29 LEU HA H 1 3.879 0.008 . 1 . . . 1 A 29 LEU HA . 30009 1
317 . 1 1 29 29 LEU HB2 H 1 2.053 0.000 . 2 . . . 1 A 29 LEU HB2 . 30009 1
318 . 1 1 29 29 LEU HB3 H 1 1.906 0.000 . 2 . . . 1 A 29 LEU HB3 . 30009 1
319 . 1 1 29 29 LEU HG H 1 1.311 0.001 . 1 . . . 1 A 29 LEU HG . 30009 1
320 . 1 1 29 29 LEU N N 15 113.893 0.010 . 1 . . . 1 A 29 LEU N . 30009 1
321 . 1 1 29 29 LEU HD11 H 1 0.880 0.006 . 2 . . . 1 A 29 LEU HD11 . 30009 1
322 . 1 1 29 29 LEU HD12 H 1 0.880 0.006 . 2 . . . 1 A 29 LEU HD12 . 30009 1
323 . 1 1 29 29 LEU HD13 H 1 0.880 0.006 . 2 . . . 1 A 29 LEU HD13 . 30009 1
324 . 1 1 29 29 LEU HD21 H 1 0.869 0.006 . 2 . . . 1 A 29 LEU HD21 . 30009 1
325 . 1 1 29 29 LEU HD22 H 1 0.869 0.006 . 2 . . . 1 A 29 LEU HD22 . 30009 1
326 . 1 1 29 29 LEU HD23 H 1 0.869 0.006 . 2 . . . 1 A 29 LEU HD23 . 30009 1
327 . 1 1 30 30 TRP C C 13 177.923 0.000 . 1 . . . 1 A 30 TRP C . 30009 1
328 . 1 1 30 30 TRP CA C 13 55.516 0.077 . 1 . . . 1 A 30 TRP CA . 30009 1
329 . 1 1 30 30 TRP CB C 13 31.705 0.076 . 1 . . . 1 A 30 TRP CB . 30009 1
330 . 1 1 30 30 TRP CD1 C 13 127.985 0.038 . 1 . . . 1 A 30 TRP CD1 . 30009 1
331 . 1 1 30 30 TRP CE3 C 13 122.069 0.000 . 1 . . . 1 A 30 TRP CE3 . 30009 1
332 . 1 1 30 30 TRP CH2 C 13 124.342 0.000 . 1 . . . 1 A 30 TRP CH2 . 30009 1
333 . 1 1 30 30 TRP CZ2 C 13 114.123 0.036 . 1 . . . 1 A 30 TRP CZ2 . 30009 1
334 . 1 1 30 30 TRP CZ3 C 13 121.411 0.000 . 1 . . . 1 A 30 TRP CZ3 . 30009 1
335 . 1 1 30 30 TRP H H 1 6.711 0.005 . 1 . . . 1 A 30 TRP H . 30009 1
336 . 1 1 30 30 TRP HA H 1 5.586 0.002 . 1 . . . 1 A 30 TRP HA . 30009 1
337 . 1 1 30 30 TRP HB2 H 1 2.913 0.000 . 2 . . . 1 A 30 TRP HB2 . 30009 1
338 . 1 1 30 30 TRP HB3 H 1 2.415 0.005 . 2 . . . 1 A 30 TRP HB3 . 30009 1
339 . 1 1 30 30 TRP HD1 H 1 6.848 0.002 . 1 . . . 1 A 30 TRP HD1 . 30009 1
340 . 1 1 30 30 TRP HE1 H 1 10.108 0.003 . 1 . . . 1 A 30 TRP HE1 . 30009 1
341 . 1 1 30 30 TRP HE3 H 1 7.123 0.009 . 1 . . . 1 A 30 TRP HE3 . 30009 1
342 . 1 1 30 30 TRP HH2 H 1 7.151 0.004 . 1 . . . 1 A 30 TRP HH2 . 30009 1
343 . 1 1 30 30 TRP HZ2 H 1 7.367 0.005 . 1 . . . 1 A 30 TRP HZ2 . 30009 1
344 . 1 1 30 30 TRP HZ3 H 1 6.722 0.011 . 1 . . . 1 A 30 TRP HZ3 . 30009 1
345 . 1 1 30 30 TRP N N 15 110.801 0.026 . 1 . . . 1 A 30 TRP N . 30009 1
346 . 1 1 30 30 TRP NE1 N 15 129.321 0.021 . 1 . . . 1 A 30 TRP NE1 . 30009 1
347 . 1 1 31 31 CYS C C 13 173.882 0.000 . 1 . . . 1 A 31 CYS C . 30009 1
348 . 1 1 31 31 CYS CA C 13 55.065 0.000 . 1 . . . 1 A 31 CYS CA . 30009 1
349 . 1 1 31 31 CYS CB C 13 39.110 0.016 . 1 . . . 1 A 31 CYS CB . 30009 1
350 . 1 1 31 31 CYS H H 1 8.261 0.007 . 1 . . . 1 A 31 CYS H . 30009 1
351 . 1 1 31 31 CYS HA H 1 4.600 0.012 . 1 . . . 1 A 31 CYS HA . 30009 1
352 . 1 1 31 31 CYS HB2 H 1 2.986 0.009 . 2 . . . 1 A 31 CYS HB2 . 30009 1
353 . 1 1 31 31 CYS HB3 H 1 2.530 0.009 . 2 . . . 1 A 31 CYS HB3 . 30009 1
354 . 1 1 31 31 CYS N N 15 117.961 0.012 . 1 . . . 1 A 31 CYS N . 30009 1
355 . 1 1 32 32 LYS C C 13 176.275 0.000 . 1 . . . 1 A 32 LYS C . 30009 1
356 . 1 1 32 32 LYS CA C 13 55.072 0.000 . 1 . . . 1 A 32 LYS CA . 30009 1
357 . 1 1 32 32 LYS CB C 13 35.700 0.000 . 1 . . . 1 A 32 LYS CB . 30009 1
358 . 1 1 32 32 LYS CD C 13 29.572 0.030 . 1 . . . 1 A 32 LYS CD . 30009 1
359 . 1 1 32 32 LYS CE C 13 41.751 0.004 . 1 . . . 1 A 32 LYS CE . 30009 1
360 . 1 1 32 32 LYS CG C 13 25.129 0.011 . 1 . . . 1 A 32 LYS CG . 30009 1
361 . 1 1 32 32 LYS H H 1 8.492 0.005 . 1 . . . 1 A 32 LYS H . 30009 1
362 . 1 1 32 32 LYS HA H 1 4.885 0.004 . 1 . . . 1 A 32 LYS HA . 30009 1
363 . 1 1 32 32 LYS HB2 H 1 1.992 0.001 . 2 . . . 1 A 32 LYS HB2 . 30009 1
364 . 1 1 32 32 LYS HB3 H 1 1.762 0.006 . 2 . . . 1 A 32 LYS HB3 . 30009 1
365 . 1 1 32 32 LYS HD2 H 1 1.530 0.001 . 2 . . . 1 A 32 LYS HD2 . 30009 1
366 . 1 1 32 32 LYS HD3 H 1 1.421 0.006 . 2 . . . 1 A 32 LYS HD3 . 30009 1
367 . 1 1 32 32 LYS HE2 H 1 2.465 0.006 . 2 . . . 1 A 32 LYS HE2 . 30009 1
368 . 1 1 32 32 LYS HE3 H 1 2.334 0.005 . 2 . . . 1 A 32 LYS HE3 . 30009 1
369 . 1 1 32 32 LYS HG2 H 1 1.216 0.005 . 2 . . . 1 A 32 LYS HG2 . 30009 1
370 . 1 1 32 32 LYS HG3 H 1 1.010 0.001 . 2 . . . 1 A 32 LYS HG3 . 30009 1
371 . 1 1 32 32 LYS N N 15 125.139 0.043 . 1 . . . 1 A 32 LYS N . 30009 1
372 . 1 1 33 33 TYR C C 13 176.789 0.000 . 1 . . . 1 A 33 TYR C . 30009 1
373 . 1 1 33 33 TYR CA C 13 60.215 0.099 . 1 . . . 1 A 33 TYR CA . 30009 1
374 . 1 1 33 33 TYR CB C 13 38.515 0.061 . 1 . . . 1 A 33 TYR CB . 30009 1
375 . 1 1 33 33 TYR CD1 C 13 133.099 0.046 . 1 . . . 1 A 33 TYR CD1 . 30009 1
376 . 1 1 33 33 TYR CD2 C 13 133.099 0.046 . 1 . . . 1 A 33 TYR CD2 . 30009 1
377 . 1 1 33 33 TYR CE1 C 13 118.488 0.024 . 1 . . . 1 A 33 TYR CE1 . 30009 1
378 . 1 1 33 33 TYR CE2 C 13 118.488 0.024 . 1 . . . 1 A 33 TYR CE2 . 30009 1
379 . 1 1 33 33 TYR H H 1 8.457 0.002 . 1 . . . 1 A 33 TYR H . 30009 1
380 . 1 1 33 33 TYR HA H 1 4.482 0.007 . 1 . . . 1 A 33 TYR HA . 30009 1
381 . 1 1 33 33 TYR HB2 H 1 3.130 0.006 . 2 . . . 1 A 33 TYR HB2 . 30009 1
382 . 1 1 33 33 TYR HB3 H 1 2.898 0.010 . 2 . . . 1 A 33 TYR HB3 . 30009 1
383 . 1 1 33 33 TYR N N 15 120.544 0.026 . 1 . . . 1 A 33 TYR N . 30009 1
384 . 1 1 33 33 TYR HD1 H 1 7.101 0.007 . 3 . . . 1 A 33 TYR HD1 . 30009 1
385 . 1 1 33 33 TYR HD2 H 1 7.101 0.007 . 3 . . . 1 A 33 TYR HD2 . 30009 1
386 . 1 1 33 33 TYR HE1 H 1 6.620 0.002 . 3 . . . 1 A 33 TYR HE1 . 30009 1
387 . 1 1 33 33 TYR HE2 H 1 6.620 0.002 . 3 . . . 1 A 33 TYR HE2 . 30009 1
388 . 1 1 34 34 LYS C C 13 175.064 0.000 . 1 . . . 1 A 34 LYS C . 30009 1
389 . 1 1 34 34 LYS CA C 13 57.323 0.044 . 1 . . . 1 A 34 LYS CA . 30009 1
390 . 1 1 34 34 LYS CB C 13 33.098 0.037 . 1 . . . 1 A 34 LYS CB . 30009 1
391 . 1 1 34 34 LYS CD C 13 29.583 0.000 . 1 . . . 1 A 34 LYS CD . 30009 1
392 . 1 1 34 34 LYS CE C 13 41.949 0.000 . 1 . . . 1 A 34 LYS CE . 30009 1
393 . 1 1 34 34 LYS CG C 13 25.229 0.015 . 1 . . . 1 A 34 LYS CG . 30009 1
394 . 1 1 34 34 LYS H H 1 8.298 0.005 . 1 . . . 1 A 34 LYS H . 30009 1
395 . 1 1 34 34 LYS HA H 1 3.952 0.006 . 1 . . . 1 A 34 LYS HA . 30009 1
396 . 1 1 34 34 LYS HB2 H 1 1.456 0.001 . 2 . . . 1 A 34 LYS HB2 . 30009 1
397 . 1 1 34 34 LYS HB3 H 1 1.375 0.001 . 2 . . . 1 A 34 LYS HB3 . 30009 1
398 . 1 1 34 34 LYS HD2 H 1 1.446 0.001 . 2 . . . 1 A 34 LYS HD2 . 30009 1
399 . 1 1 34 34 LYS HD3 H 1 1.398 0.001 . 2 . . . 1 A 34 LYS HD3 . 30009 1
400 . 1 1 34 34 LYS HE2 H 1 2.729 0.000 . 2 . . . 1 A 34 LYS HE2 . 30009 1
401 . 1 1 34 34 LYS HE3 H 1 2.624 0.001 . 2 . . . 1 A 34 LYS HE3 . 30009 1
402 . 1 1 34 34 LYS N N 15 124.857 0.011 . 1 . . . 1 A 34 LYS N . 30009 1
403 . 1 1 34 34 LYS HG2 H 1 0.963 0.007 . 2 . . . 1 A 34 LYS HG2 . 30009 1
404 . 1 1 34 34 LYS HG3 H 1 0.963 0.007 . 2 . . . 1 A 34 LYS HG3 . 30009 1
405 . 1 1 35 35 ILE C C 13 174.942 0.000 . 1 . . . 1 A 35 ILE C . 30009 1
406 . 1 1 35 35 ILE CA C 13 60.978 0.020 . 1 . . . 1 A 35 ILE CA . 30009 1
407 . 1 1 35 35 ILE CB C 13 38.730 0.007 . 1 . . . 1 A 35 ILE CB . 30009 1
408 . 1 1 35 35 ILE CD1 C 13 12.882 0.000 . 1 . . . 1 A 35 ILE CD1 . 30009 1
409 . 1 1 35 35 ILE CG1 C 13 27.072 0.062 . 1 . . . 1 A 35 ILE CG1 . 30009 1
410 . 1 1 35 35 ILE CG2 C 13 17.515 0.000 . 1 . . . 1 A 35 ILE CG2 . 30009 1
411 . 1 1 35 35 ILE H H 1 7.799 0.007 . 1 . . . 1 A 35 ILE H . 30009 1
412 . 1 1 35 35 ILE HA H 1 4.099 0.001 . 1 . . . 1 A 35 ILE HA . 30009 1
413 . 1 1 35 35 ILE HB H 1 1.768 0.004 . 1 . . . 1 A 35 ILE HB . 30009 1
414 . 1 1 35 35 ILE HG12 H 1 1.347 0.001 . 2 . . . 1 A 35 ILE HG12 . 30009 1
415 . 1 1 35 35 ILE HG13 H 1 1.076 0.000 . 2 . . . 1 A 35 ILE HG13 . 30009 1
416 . 1 1 35 35 ILE N N 15 121.753 0.027 . 1 . . . 1 A 35 ILE N . 30009 1
417 . 1 1 35 35 ILE HD11 H 1 0.814 0.001 . 1 . . . 1 A 35 ILE HD11 . 30009 1
418 . 1 1 35 35 ILE HD12 H 1 0.814 0.001 . 1 . . . 1 A 35 ILE HD12 . 30009 1
419 . 1 1 35 35 ILE HD13 H 1 0.814 0.001 . 1 . . . 1 A 35 ILE HD13 . 30009 1
420 . 1 1 35 35 ILE HG21 H 1 0.811 0.001 . 1 . . . 1 A 35 ILE HG21 . 30009 1
421 . 1 1 35 35 ILE HG22 H 1 0.811 0.001 . 1 . . . 1 A 35 ILE HG22 . 30009 1
422 . 1 1 35 35 ILE HG23 H 1 0.811 0.001 . 1 . . . 1 A 35 ILE HG23 . 30009 1
423 . 1 1 36 36 TRP CA C 13 58.606 0.048 . 1 . . . 1 A 36 TRP CA . 30009 1
424 . 1 1 36 36 TRP CB C 13 30.261 0.021 . 1 . . . 1 A 36 TRP CB . 30009 1
425 . 1 1 36 36 TRP CD1 C 13 127.042 0.007 . 1 . . . 1 A 36 TRP CD1 . 30009 1
426 . 1 1 36 36 TRP CE3 C 13 122.131 0.000 . 1 . . . 1 A 36 TRP CE3 . 30009 1
427 . 1 1 36 36 TRP CH2 C 13 124.342 0.000 . 1 . . . 1 A 36 TRP CH2 . 30009 1
428 . 1 1 36 36 TRP CZ2 C 13 114.667 0.001 . 1 . . . 1 A 36 TRP CZ2 . 30009 1
429 . 1 1 36 36 TRP CZ3 C 13 121.110 0.000 . 1 . . . 1 A 36 TRP CZ3 . 30009 1
430 . 1 1 36 36 TRP H H 1 7.701 0.003 . 1 . . . 1 A 36 TRP H . 30009 1
431 . 1 1 36 36 TRP HA H 1 4.463 0.001 . 1 . . . 1 A 36 TRP HA . 30009 1
432 . 1 1 36 36 TRP HB2 H 1 3.299 0.000 . 2 . . . 1 A 36 TRP HB2 . 30009 1
433 . 1 1 36 36 TRP HB3 H 1 3.140 0.002 . 2 . . . 1 A 36 TRP HB3 . 30009 1
434 . 1 1 36 36 TRP HD1 H 1 7.204 0.003 . 1 . . . 1 A 36 TRP HD1 . 30009 1
435 . 1 1 36 36 TRP HE1 H 1 10.057 0.003 . 1 . . . 1 A 36 TRP HE1 . 30009 1
436 . 1 1 36 36 TRP HE3 H 1 7.655 0.004 . 1 . . . 1 A 36 TRP HE3 . 30009 1
437 . 1 1 36 36 TRP HH2 H 1 7.150 0.000 . 1 . . . 1 A 36 TRP HH2 . 30009 1
438 . 1 1 36 36 TRP HZ2 H 1 7.471 0.002 . 1 . . . 1 A 36 TRP HZ2 . 30009 1
439 . 1 1 36 36 TRP HZ3 H 1 7.133 0.011 . 1 . . . 1 A 36 TRP HZ3 . 30009 1
440 . 1 1 36 36 TRP N N 15 130.135 0.005 . 1 . . . 1 A 36 TRP N . 30009 1
441 . 1 1 36 36 TRP NE1 N 15 128.753 0.009 . 1 . . . 1 A 36 TRP NE1 . 30009 1
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