Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 17926
_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 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.15
_Assigned_chem_shift_list.Chem_shift_15N_err 0.13
_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' . . . 17926 1
2 '2D 1H-13C HSQC' . . . 17926 1
3 '2D 1H-1H TOCSY' . . . 17926 1
4 '2D 1H-1H NOESY' . . . 17926 1
5 '3D CBCA(CO)NH' . . . 17926 1
6 '3D C(CO)NH' . . . 17926 1
7 '3D HNCO' . . . 17926 1
8 '3D HNCA' . . . 17926 1
9 '3D HNCACB' . . . 17926 1
10 '3D HBHA(CO)NH' . . . 17926 1
11 '3D HN(CO)CA' . . . 17926 1
12 '3D H(CCO)NH' . . . 17926 1
14 '3D 1 15N TOCSY' . . . 17926 1
15 '2D 1H-1H TOCSY' . . . 17926 1
16 '2D 1H-1H NOESY' . . . 17926 1
18 HBHANH . . . 17926 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 22 22 ALA H H 1 8.31 0.02 . 1 . . . . 1 ALA H . 17926 1
2 . 1 1 22 22 ALA HA H 1 4.30 0.02 . 1 . . . . 1 ALA HA . 17926 1
3 . 1 1 22 22 ALA HB1 H 1 1.38 0.02 . 1 . . . . 1 ALA MB . 17926 1
4 . 1 1 22 22 ALA HB2 H 1 1.38 0.02 . 1 . . . . 1 ALA MB . 17926 1
5 . 1 1 22 22 ALA HB3 H 1 1.38 0.02 . 1 . . . . 1 ALA MB . 17926 1
6 . 1 1 22 22 ALA C C 13 176.81 0.15 . 1 . . . . 1 ALA C . 17926 1
7 . 1 1 22 22 ALA CA C 13 52.11 0.08 . 1 . . . . 1 ALA CA . 17926 1
8 . 1 1 22 22 ALA CB C 13 19.34 0.08 . 1 . . . . 1 ALA CB . 17926 1
9 . 1 1 22 22 ALA N N 15 125.39 0.13 . 1 . . . . 1 ALA N . 17926 1
10 . 1 1 23 23 ALA H H 1 8.33 0.02 . 1 . . . . 2 ALA H . 17926 1
11 . 1 1 23 23 ALA HA H 1 4.59 0.02 . 1 . . . . 2 ALA HA . 17926 1
12 . 1 1 23 23 ALA C C 13 175.58 0.15 . 1 . . . . 2 ALA C . 17926 1
13 . 1 1 23 23 ALA CA C 13 50.42 0.08 . 1 . . . . 2 ALA CA . 17926 1
14 . 1 1 23 23 ALA CB C 13 18.14 0.08 . 1 . . . . 2 ALA CB . 17926 1
15 . 1 1 23 23 ALA N N 15 124.75 0.13 . 1 . . . . 2 ALA N . 17926 1
16 . 1 1 24 24 PRO HA H 1 4.44 0.02 . 1 . . . . 3 PRO HA . 17926 1
17 . 1 1 24 24 PRO HB2 H 1 2.29 0.02 . 2 . . . . 3 PRO HB2 . 17926 1
18 . 1 1 24 24 PRO HB3 H 1 2.29 0.02 . 2 . . . . 3 PRO HB3 . 17926 1
19 . 1 1 24 24 PRO HG2 H 1 1.93 0.02 . 2 . . . . 3 PRO HG2 . 17926 1
20 . 1 1 24 24 PRO HG3 H 1 1.93 0.02 . 2 . . . . 3 PRO HG3 . 17926 1
21 . 1 1 24 24 PRO C C 13 177.11 0.15 . 1 . . . . 3 PRO C . 17926 1
22 . 1 1 24 24 PRO CA C 13 63.13 0.08 . 1 . . . . 3 PRO CA . 17926 1
23 . 1 1 24 24 PRO CB C 13 32.01 0.08 . 1 . . . . 3 PRO CB . 17926 1
24 . 1 1 24 24 PRO CG C 13 27.50 0.08 . 1 . . . . 3 PRO CG . 17926 1
25 . 1 1 25 25 GLU H H 1 8.66 0.02 . 1 . . . . 4 GLU H . 17926 1
26 . 1 1 25 25 GLU HA H 1 4.27 0.02 . 1 . . . . 4 GLU HA . 17926 1
27 . 1 1 25 25 GLU HB2 H 1 2.03 0.02 . 1 . . . . 4 GLU HB2 . 17926 1
28 . 1 1 25 25 GLU HB3 H 1 2.03 0.02 . 1 . . . . 4 GLU HB3 . 17926 1
29 . 1 1 25 25 GLU HG2 H 1 2.32 0.02 . 1 . . . . 4 GLU HG2 . 17926 1
30 . 1 1 25 25 GLU HG3 H 1 2.32 0.02 . 1 . . . . 4 GLU HG3 . 17926 1
31 . 1 1 25 25 GLU C C 13 177.10 0.15 . 1 . . . . 4 GLU C . 17926 1
32 . 1 1 25 25 GLU CA C 13 56.94 0.08 . 1 . . . . 4 GLU CA . 17926 1
33 . 1 1 25 25 GLU CB C 13 30.06 0.08 . 1 . . . . 4 GLU CB . 17926 1
34 . 1 1 25 25 GLU CG C 13 36.41 0.08 . 1 . . . . 4 GLU CG . 17926 1
35 . 1 1 25 25 GLU N N 15 121.31 0.13 . 1 . . . . 4 GLU N . 17926 1
36 . 1 1 26 26 GLY H H 1 8.53 0.02 . 1 . . . . 5 GLY H . 17926 1
37 . 1 1 26 26 GLY HA2 H 1 4.00 0.02 . 1 . . . . 5 GLY HA2 . 17926 1
38 . 1 1 26 26 GLY HA3 H 1 4.00 0.02 . 1 . . . . 5 GLY HA3 . 17926 1
39 . 1 1 26 26 GLY C C 13 174.60 0.15 . 1 . . . . 5 GLY C . 17926 1
40 . 1 1 26 26 GLY CA C 13 45.33 0.08 . 1 . . . . 5 GLY CA . 17926 1
41 . 1 1 26 26 GLY N N 15 110.23 0.13 . 1 . . . . 5 GLY N . 17926 1
42 . 1 1 27 27 GLY H H 1 8.30 0.02 . 1 . . . . 6 GLY H . 17926 1
43 . 1 1 27 27 GLY HA2 H 1 3.98 0.02 . 1 . . . . 6 GLY HA2 . 17926 1
44 . 1 1 27 27 GLY HA3 H 1 3.98 0.02 . 1 . . . . 6 GLY HA3 . 17926 1
45 . 1 1 27 27 GLY C C 13 174.06 0.15 . 1 . . . . 6 GLY C . 17926 1
46 . 1 1 27 27 GLY CA C 13 45.17 0.08 . 1 . . . . 6 GLY CA . 17926 1
47 . 1 1 27 27 GLY N N 15 108.69 0.13 . 1 . . . . 6 GLY N . 17926 1
48 . 1 1 28 28 ILE H H 1 8.16 0.02 . 1 . . . . 7 ILE H . 17926 1
49 . 1 1 28 28 ILE HA H 1 4.26 0.02 . 1 . . . . 7 ILE HA . 17926 1
50 . 1 1 28 28 ILE HB H 1 1.90 0.02 . 1 . . . . 7 ILE HB . 17926 1
51 . 1 1 28 28 ILE HG12 H 1 1.47 0.02 . 2 . . . . 7 ILE HG12 . 17926 1
52 . 1 1 28 28 ILE HG13 H 1 1.20 0.02 . 2 . . . . 7 ILE HG13 . 17926 1
53 . 1 1 28 28 ILE HG21 H 1 0.96 0.02 . 1 . . . . 7 ILE MG . 17926 1
54 . 1 1 28 28 ILE HG22 H 1 0.96 0.02 . 1 . . . . 7 ILE MG . 17926 1
55 . 1 1 28 28 ILE HG23 H 1 0.96 0.02 . 1 . . . . 7 ILE MG . 17926 1
56 . 1 1 28 28 ILE C C 13 176.25 0.15 . 1 . . . . 7 ILE C . 17926 1
57 . 1 1 28 28 ILE CA C 13 61.17 0.08 . 1 . . . . 7 ILE CA . 17926 1
58 . 1 1 28 28 ILE CB C 13 38.87 0.08 . 1 . . . . 7 ILE CB . 17926 1
59 . 1 1 28 28 ILE CG1 C 13 27.26 0.08 . 1 . . . . 7 ILE CG1 . 17926 1
60 . 1 1 28 28 ILE CG2 C 13 17.74 0.08 . 1 . . . . 7 ILE CG2 . 17926 1
61 . 1 1 28 28 ILE CD1 C 13 12.96 0.08 . 1 . . . . 7 ILE CD1 . 17926 1
62 . 1 1 28 28 ILE N N 15 119.75 0.13 . 1 . . . . 7 ILE N . 17926 1
63 . 1 1 29 29 SER H H 1 8.46 0.02 . 1 . . . . 8 SER H . 17926 1
64 . 1 1 29 29 SER HA H 1 4.53 0.02 . 1 . . . . 8 SER HA . 17926 1
65 . 1 1 29 29 SER HB2 H 1 3.91 0.02 . 1 . . . . 8 SER HB2 . 17926 1
66 . 1 1 29 29 SER HB3 H 1 3.91 0.02 . 1 . . . . 8 SER HB3 . 17926 1
67 . 1 1 29 29 SER C C 13 174.45 0.15 . 1 . . . . 8 SER C . 17926 1
68 . 1 1 29 29 SER CA C 13 58.33 0.08 . 1 . . . . 8 SER CA . 17926 1
69 . 1 1 29 29 SER CB C 13 63.95 0.08 . 1 . . . . 8 SER CB . 17926 1
70 . 1 1 29 29 SER N N 15 119.63 0.13 . 1 . . . . 8 SER N . 17926 1
71 . 1 1 34 34 LYS HA H 1 4.27 0.02 . 1 . . . . 13 LYS HA . 17926 1
72 . 1 1 34 34 LYS HB2 H 1 1.83 0.02 . 1 . . . . 13 LYS HB2 . 17926 1
73 . 1 1 34 34 LYS HB3 H 1 1.83 0.02 . 1 . . . . 13 LYS HB3 . 17926 1
74 . 1 1 34 34 LYS HG2 H 1 1.47 0.02 . 1 . . . . 13 LYS HG2 . 17926 1
75 . 1 1 34 34 LYS HG3 H 1 1.47 0.02 . 1 . . . . 13 LYS HG3 . 17926 1
76 . 1 1 34 34 LYS C C 13 176.97 0.15 . 1 . . . . 13 LYS C . 17926 1
77 . 1 1 34 34 LYS CA C 13 56.90 0.08 . 1 . . . . 13 LYS CA . 17926 1
78 . 1 1 34 34 LYS CB C 13 33.07 0.08 . 1 . . . . 13 LYS CB . 17926 1
79 . 1 1 34 34 LYS CG C 13 25.03 0.08 . 1 . . . . 13 LYS CG . 17926 1
80 . 1 1 35 35 SER H H 1 8.39 0.02 . 1 . . . . 14 SER H . 17926 1
81 . 1 1 35 35 SER HA H 1 4.45 0.02 . 1 . . . . 14 SER HA . 17926 1
82 . 1 1 35 35 SER HB2 H 1 3.92 0.02 . 1 . . . . 14 SER HB2 . 17926 1
83 . 1 1 35 35 SER HB3 H 1 3.92 0.02 . 1 . . . . 14 SER HB3 . 17926 1
84 . 1 1 35 35 SER C C 13 174.97 0.15 . 1 . . . . 14 SER C . 17926 1
85 . 1 1 35 35 SER CA C 13 58.54 0.08 . 1 . . . . 14 SER CA . 17926 1
86 . 1 1 35 35 SER CB C 13 63.67 0.08 . 1 . . . . 14 SER CB . 17926 1
87 . 1 1 35 35 SER N N 15 117.05 0.13 . 1 . . . . 14 SER N . 17926 1
88 . 1 1 38 38 GLU C C 13 175.42 0.15 . 1 . . . . 17 GLU C . 17926 1
89 . 1 1 38 38 GLU CA C 13 55.24 0.08 . 1 . . . . 17 GLU CA . 17926 1
90 . 1 1 38 38 GLU CB C 13 32.99 0.08 . 1 . . . . 17 GLU CB . 17926 1
91 . 1 1 39 39 ALA H H 1 8.37 0.02 . 1 . . . . 18 ALA H . 17926 1
92 . 1 1 39 39 ALA N N 15 125.78 0.13 . 1 . . . . 18 ALA N . 17926 1
93 . 1 1 40 40 GLN HB2 H 1 2.19 0.02 . 1 . . . . 19 GLN HB2 . 17926 1
94 . 1 1 40 40 GLN HB3 H 1 2.19 0.02 . 1 . . . . 19 GLN HB3 . 17926 1
95 . 1 1 40 40 GLN HG2 H 1 2.42 0.02 . 1 . . . . 19 GLN HG2 . 17926 1
96 . 1 1 40 40 GLN HG3 H 1 2.42 0.02 . 1 . . . . 19 GLN HG3 . 17926 1
97 . 1 1 40 40 GLN HE21 H 1 6.90 0.02 . 1 . . . . 19 GLN HE21 . 17926 1
98 . 1 1 40 40 GLN HE22 H 1 7.53 0.02 . 1 . . . . 19 GLN HE22 . 17926 1
99 . 1 1 40 40 GLN CG C 13 33.87 0.08 . 1 . . . . 19 GLN CG . 17926 1
100 . 1 1 40 40 GLN CD C 13 180.30 0.15 . 1 . . . . 19 GLN CD . 17926 1
101 . 1 1 40 40 GLN NE2 N 15 111.77 0.13 . 1 . . . . 19 GLN NE2 . 17926 1
102 . 1 1 41 41 GLU HB2 H 1 2.08 0.02 . 2 . . . . 20 GLU HB2 . 17926 1
103 . 1 1 41 41 GLU HB3 H 1 1.93 0.02 . 2 . . . . 20 GLU HB3 . 17926 1
104 . 1 1 41 41 GLU C C 13 176.96 0.15 . 1 . . . . 20 GLU C . 17926 1
105 . 1 1 41 41 GLU CA C 13 57.01 0.08 . 1 . . . . 20 GLU CA . 17926 1
106 . 1 1 41 41 GLU CB C 13 30.17 0.08 . 1 . . . . 20 GLU CB . 17926 1
107 . 1 1 41 41 GLU CG C 13 36.56 0.08 . 1 . . . . 20 GLU CG . 17926 1
108 . 1 1 42 42 THR H H 1 8.24 0.02 . 1 . . . . 21 THR H . 17926 1
109 . 1 1 42 42 THR HA H 1 4.37 0.02 . 1 . . . . 21 THR HA . 17926 1
110 . 1 1 42 42 THR HB H 1 3.87 0.02 . 1 . . . . 21 THR HB . 17926 1
111 . 1 1 42 42 THR C C 13 174.84 0.15 . 1 . . . . 21 THR C . 17926 1
112 . 1 1 42 42 THR CA C 13 62.54 0.08 . 1 . . . . 21 THR CA . 17926 1
113 . 1 1 42 42 THR CB C 13 69.84 0.08 . 1 . . . . 21 THR CB . 17926 1
114 . 1 1 42 42 THR N N 15 115.00 0.13 . 1 . . . . 21 THR N . 17926 1
115 . 1 1 44 44 ALA HA H 1 4.47 0.02 . 1 . . . . 23 ALA HA . 17926 1
116 . 1 1 44 44 ALA HB1 H 1 1.41 0.02 . 1 . . . . 23 ALA MB . 17926 1
117 . 1 1 44 44 ALA HB2 H 1 1.41 0.02 . 1 . . . . 23 ALA MB . 17926 1
118 . 1 1 44 44 ALA HB3 H 1 1.41 0.02 . 1 . . . . 23 ALA MB . 17926 1
119 . 1 1 44 44 ALA C C 13 177.41 0.15 . 1 . . . . 23 ALA C . 17926 1
120 . 1 1 44 44 ALA CA C 13 52.41 0.08 . 1 . . . . 23 ALA CA . 17926 1
121 . 1 1 44 44 ALA CB C 13 19.90 0.08 . 1 . . . . 23 ALA CB . 17926 1
122 . 1 1 45 45 GLY H H 1 8.13 0.02 . 1 . . . . 24 GLY H . 17926 1
123 . 1 1 45 45 GLY HA2 H 1 3.99 0.02 . 2 . . . . 24 GLY HA2 . 17926 1
124 . 1 1 45 45 GLY HA3 H 1 3.88 0.02 . 2 . . . . 24 GLY HA3 . 17926 1
125 . 1 1 45 45 GLY C C 13 171.93 0.15 . 1 . . . . 24 GLY C . 17926 1
126 . 1 1 45 45 GLY CA C 13 44.67 0.08 . 1 . . . . 24 GLY CA . 17926 1
127 . 1 1 45 45 GLY N N 15 108.06 0.13 . 1 . . . . 24 GLY N . 17926 1
128 . 1 1 46 46 ASP H H 1 7.93 0.02 . 1 . . . . 25 ASP H . 17926 1
129 . 1 1 46 46 ASP HA H 1 4.79 0.02 . 1 . . . . 25 ASP HA . 17926 1
130 . 1 1 46 46 ASP HB2 H 1 2.58 0.02 . 1 . . . . 25 ASP HB2 . 17926 1
131 . 1 1 46 46 ASP HB3 H 1 2.58 0.02 . 1 . . . . 25 ASP HB3 . 17926 1
132 . 1 1 46 46 ASP CA C 13 51.87 0.08 . 1 . . . . 25 ASP CA . 17926 1
133 . 1 1 46 46 ASP CB C 13 42.81 0.08 . 1 . . . . 25 ASP CB . 17926 1
134 . 1 1 46 46 ASP N N 15 118.59 0.13 . 1 . . . . 25 ASP N . 17926 1
135 . 1 1 48 48 VAL HA H 1 4.92 0.02 . 1 . . . . 27 VAL HA . 17926 1
136 . 1 1 48 48 VAL HB H 1 2.11 0.02 . 1 . . . . 27 VAL HB . 17926 1
137 . 1 1 48 48 VAL C C 13 176.35 0.15 . 1 . . . . 27 VAL C . 17926 1
138 . 1 1 48 48 VAL CA C 13 62.70 0.08 . 1 . . . . 27 VAL CA . 17926 1
139 . 1 1 48 48 VAL CB C 13 32.61 0.08 . 1 . . . . 27 VAL CB . 17926 1
140 . 1 1 49 49 SER H H 1 8.42 0.02 . 1 . . . . 28 SER H . 17926 1
141 . 1 1 49 49 SER HA H 1 4.52 0.02 . 1 . . . . 28 SER HA . 17926 1
142 . 1 1 49 49 SER HB2 H 1 4.04 0.02 . 2 . . . . 28 SER HB2 . 17926 1
143 . 1 1 49 49 SER HB3 H 1 3.91 0.02 . 2 . . . . 28 SER HB3 . 17926 1
144 . 1 1 49 49 SER C C 13 175.35 0.15 . 1 . . . . 28 SER C . 17926 1
145 . 1 1 49 49 SER CA C 13 57.77 0.08 . 1 . . . . 28 SER CA . 17926 1
146 . 1 1 49 49 SER CB C 13 64.17 0.08 . 1 . . . . 28 SER CB . 17926 1
147 . 1 1 49 49 SER N N 15 119.87 0.13 . 1 . . . . 28 SER N . 17926 1
148 . 1 1 50 50 GLY H H 1 8.63 0.02 . 1 . . . . 29 GLY H . 17926 1
149 . 1 1 50 50 GLY C C 13 174.57 0.15 . 1 . . . . 29 GLY C . 17926 1
150 . 1 1 50 50 GLY CA C 13 46.00 0.08 . 1 . . . . 29 GLY CA . 17926 1
151 . 1 1 50 50 GLY N N 15 111.27 0.13 . 1 . . . . 29 GLY N . 17926 1
152 . 1 1 51 51 GLU H H 1 8.49 0.02 . 1 . . . . 30 GLU H . 17926 1
153 . 1 1 51 51 GLU CA C 13 56.98 0.08 . 1 . . . . 30 GLU CA . 17926 1
154 . 1 1 51 51 GLU CB C 13 29.49 0.08 . 1 . . . . 30 GLU CB . 17926 1
155 . 1 1 51 51 GLU N N 15 120.23 0.13 . 1 . . . . 30 GLU N . 17926 1
156 . 1 1 56 56 TRP HA H 1 4.65 0.02 . 1 . . . . 35 TRP HA . 17926 1
157 . 1 1 56 56 TRP HB2 H 1 3.35 0.02 . 2 . . . . 35 TRP HB2 . 17926 1
158 . 1 1 56 56 TRP HB3 H 1 3.25 0.02 . 2 . . . . 35 TRP HB3 . 17926 1
159 . 1 1 56 56 TRP HD1 H 1 7.29 0.02 . 1 . . . . 35 TRP HD1 . 17926 1
160 . 1 1 56 56 TRP HE1 H 1 10.13 0.02 . 1 . . . . 35 TRP HE1 . 17926 1
161 . 1 1 56 56 TRP HE3 H 1 7.61 0.02 . 1 . . . . 35 TRP HE3 . 17926 1
162 . 1 1 56 56 TRP HZ2 H 1 7.43 0.02 . 1 . . . . 35 TRP HZ2 . 17926 1
163 . 1 1 56 56 TRP HZ3 H 1 7.11 0.02 . 1 . . . . 35 TRP HZ3 . 17926 1
164 . 1 1 56 56 TRP HH2 H 1 7.19 0.02 . 1 . . . . 35 TRP HH2 . 17926 1
165 . 1 1 56 56 TRP NE1 N 15 129.52 0.13 . 1 . . . . 35 TRP NE1 . 17926 1
166 . 1 1 62 62 LEU HA H 1 4.30 0.02 . 1 . . . . 41 LEU HA . 17926 1
167 . 1 1 62 62 LEU HB2 H 1 1.69 0.02 . 1 . . . . 41 LEU HB2 . 17926 1
168 . 1 1 62 62 LEU HB3 H 1 1.69 0.02 . 1 . . . . 41 LEU HB3 . 17926 1
169 . 1 1 62 62 LEU HD11 H 1 0.90 0.02 . 1 . . . . 41 LEU MD1 . 17926 1
170 . 1 1 62 62 LEU HD12 H 1 0.90 0.02 . 1 . . . . 41 LEU MD1 . 17926 1
171 . 1 1 62 62 LEU HD13 H 1 0.90 0.02 . 1 . . . . 41 LEU MD1 . 17926 1
172 . 1 1 62 62 LEU HD21 H 1 0.90 0.02 . 1 . . . . 41 LEU MD2 . 17926 1
173 . 1 1 62 62 LEU HD22 H 1 0.90 0.02 . 1 . . . . 41 LEU MD2 . 17926 1
174 . 1 1 62 62 LEU HD23 H 1 0.90 0.02 . 1 . . . . 41 LEU MD2 . 17926 1
175 . 1 1 62 62 LEU C C 13 178.17 0.15 . 1 . . . . 41 LEU C . 17926 1
176 . 1 1 62 62 LEU CA C 13 55.91 0.08 . 1 . . . . 41 LEU CA . 17926 1
177 . 1 1 62 62 LEU CB C 13 42.21 0.08 . 1 . . . . 41 LEU CB . 17926 1
178 . 1 1 63 63 SER H H 1 8.31 0.02 . 1 . . . . 42 SER H . 17926 1
179 . 1 1 63 63 SER HA H 1 4.37 0.02 . 1 . . . . 42 SER HA . 17926 1
180 . 1 1 63 63 SER HB2 H 1 3.93 0.02 . 1 . . . . 42 SER HB2 . 17926 1
181 . 1 1 63 63 SER HB3 H 1 3.93 0.02 . 1 . . . . 42 SER HB3 . 17926 1
182 . 1 1 63 63 SER C C 13 175.27 0.15 . 1 . . . . 42 SER C . 17926 1
183 . 1 1 63 63 SER CA C 13 58.95 0.08 . 1 . . . . 42 SER CA . 17926 1
184 . 1 1 63 63 SER CB C 13 63.67 0.08 . 1 . . . . 42 SER CB . 17926 1
185 . 1 1 63 63 SER N N 15 116.28 0.13 . 1 . . . . 42 SER N . 17926 1
186 . 1 1 66 66 ALA HA H 1 4.27 0.02 . 1 . . . . 45 ALA HA . 17926 1
187 . 1 1 66 66 ALA HB1 H 1 1.46 0.02 . 1 . . . . 45 ALA MB . 17926 1
188 . 1 1 66 66 ALA HB2 H 1 1.46 0.02 . 1 . . . . 45 ALA MB . 17926 1
189 . 1 1 66 66 ALA HB3 H 1 1.46 0.02 . 1 . . . . 45 ALA MB . 17926 1
190 . 1 1 66 66 ALA C C 13 178.84 0.15 . 1 . . . . 45 ALA C . 17926 1
191 . 1 1 66 66 ALA CA C 13 53.48 0.08 . 1 . . . . 45 ALA CA . 17926 1
192 . 1 1 66 66 ALA CB C 13 18.76 0.08 . 1 . . . . 45 ALA CB . 17926 1
193 . 1 1 67 67 SER H H 1 8.12 0.02 . 1 . . . . 46 SER H . 17926 1
194 . 1 1 67 67 SER C C 13 175.13 0.15 . 1 . . . . 46 SER C . 17926 1
195 . 1 1 67 67 SER CA C 13 59.55 0.08 . 1 . . . . 46 SER CA . 17926 1
196 . 1 1 67 67 SER CB C 13 63.40 0.08 . 1 . . . . 46 SER CB . 17926 1
197 . 1 1 67 67 SER N N 15 114.22 0.13 . 1 . . . . 46 SER N . 17926 1
198 . 1 1 68 68 HIS HA H 1 4.63 0.02 . 1 . . . . 47 HIS HA . 17926 1
199 . 1 1 68 68 HIS HB2 H 1 3.25 0.02 . 1 . . . . 47 HIS HB2 . 17926 1
200 . 1 1 68 68 HIS HB3 H 1 3.25 0.02 . 1 . . . . 47 HIS HB3 . 17926 1
201 . 1 1 68 68 HIS C C 13 175.43 0.15 . 1 . . . . 47 HIS C . 17926 1
202 . 1 1 68 68 HIS CA C 13 56.66 0.08 . 1 . . . . 47 HIS CA . 17926 1
203 . 1 1 68 68 HIS CB C 13 29.65 0.08 . 1 . . . . 47 HIS CB . 17926 1
204 . 1 1 69 69 ALA H H 1 8.11 0.02 . 1 . . . . 48 ALA H . 17926 1
205 . 1 1 69 69 ALA HA H 1 4.25 0.02 . 1 . . . . 48 ALA HA . 17926 1
206 . 1 1 69 69 ALA HB1 H 1 1.45 0.02 . 1 . . . . 48 ALA MB . 17926 1
207 . 1 1 69 69 ALA HB2 H 1 1.45 0.02 . 1 . . . . 48 ALA MB . 17926 1
208 . 1 1 69 69 ALA HB3 H 1 1.45 0.02 . 1 . . . . 48 ALA MB . 17926 1
209 . 1 1 69 69 ALA C C 13 178.32 0.15 . 1 . . . . 48 ALA C . 17926 1
210 . 1 1 69 69 ALA CA C 13 53.46 0.08 . 1 . . . . 48 ALA CA . 17926 1
211 . 1 1 69 69 ALA CB C 13 18.87 0.08 . 1 . . . . 48 ALA CB . 17926 1
212 . 1 1 69 69 ALA N N 15 123.60 0.13 . 1 . . . . 48 ALA N . 17926 1
213 . 1 1 70 70 ARG H H 1 8.25 0.02 . 1 . . . . 49 ARG H . 17926 1
214 . 1 1 70 70 ARG HB2 H 1 1.88 0.02 . 1 . . . . 49 ARG HB2 . 17926 1
215 . 1 1 70 70 ARG HB3 H 1 1.88 0.02 . 1 . . . . 49 ARG HB3 . 17926 1
216 . 1 1 70 70 ARG HG2 H 1 1.67 0.02 . 1 . . . . 49 ARG HG2 . 17926 1
217 . 1 1 70 70 ARG HG3 H 1 1.67 0.02 . 1 . . . . 49 ARG HG3 . 17926 1
218 . 1 1 70 70 ARG HD2 H 1 3.23 0.02 . 5 . . . . 49 ARG HD2 . 17926 1
219 . 1 1 70 70 ARG HD3 H 1 3.23 0.02 . 5 . . . . 49 ARG HD3 . 17926 1
220 . 1 1 70 70 ARG HE H 1 7.19 0.02 . 5 . . . . 49 ARG HE . 17926 1
221 . 1 1 70 70 ARG CA C 13 56.71 0.08 . 1 . . . . 49 ARG CA . 17926 1
222 . 1 1 70 70 ARG CB C 13 30.44 0.08 . 1 . . . . 49 ARG CB . 17926 1
223 . 1 1 70 70 ARG CG C 13 27.28 0.08 . 1 . . . . 49 ARG CG . 17926 1
224 . 1 1 70 70 ARG CZ C 13 175.12 0.15 . 1 . . . . 49 ARG CZ . 17926 1
225 . 1 1 70 70 ARG N N 15 119.24 0.13 . 1 . . . . 49 ARG N . 17926 1
226 . 1 1 70 70 ARG NE N 15 84.52 0.13 . 1 . . . . 49 ARG NE . 17926 1
227 . 1 1 71 71 ASP H H 1 8.21 0.02 . 1 . . . . 50 ASP H . 17926 1
228 . 1 1 71 71 ASP HA H 1 4.58 0.02 . 1 . . . . 50 ASP HA . 17926 1
229 . 1 1 71 71 ASP HB2 H 1 2.71 0.02 . 1 . . . . 50 ASP HB2 . 17926 1
230 . 1 1 71 71 ASP HB3 H 1 2.71 0.02 . 1 . . . . 50 ASP HB3 . 17926 1
231 . 1 1 71 71 ASP C C 13 176.48 0.15 . 1 . . . . 50 ASP C . 17926 1
232 . 1 1 71 71 ASP CA C 13 54.77 0.08 . 1 . . . . 50 ASP CA . 17926 1
233 . 1 1 71 71 ASP CB C 13 40.92 0.08 . 1 . . . . 50 ASP CB . 17926 1
234 . 1 1 71 71 ASP N N 15 120.56 0.13 . 1 . . . . 50 ASP N . 17926 1
235 . 1 1 72 72 LYS H H 1 8.16 0.02 . 1 . . . . 51 LYS H . 17926 1
236 . 1 1 72 72 LYS HA H 1 4.28 0.02 . 1 . . . . 51 LYS HA . 17926 1
237 . 1 1 72 72 LYS HB2 H 1 1.80 0.02 . 1 . . . . 51 LYS HB2 . 17926 1
238 . 1 1 72 72 LYS HB3 H 1 1.80 0.02 . 1 . . . . 51 LYS HB3 . 17926 1
239 . 1 1 72 72 LYS HG2 H 1 1.46 0.02 . 1 . . . . 51 LYS HG2 . 17926 1
240 . 1 1 72 72 LYS HG3 H 1 1.46 0.02 . 1 . . . . 51 LYS HG3 . 17926 1
241 . 1 1 72 72 LYS C C 13 176.64 0.15 . 1 . . . . 51 LYS C . 17926 1
242 . 1 1 72 72 LYS CA C 13 56.55 0.08 . 1 . . . . 51 LYS CA . 17926 1
243 . 1 1 72 72 LYS CB C 13 32.79 0.08 . 1 . . . . 51 LYS CB . 17926 1
244 . 1 1 72 72 LYS CG C 13 24.83 0.08 . 1 . . . . 51 LYS CG . 17926 1
245 . 1 1 72 72 LYS N N 15 121.55 0.13 . 1 . . . . 51 LYS N . 17926 1
246 . 1 1 73 73 LYS H H 1 8.28 0.02 . 1 . . . . 52 LYS H . 17926 1
247 . 1 1 73 73 LYS HA H 1 4.29 0.02 . 1 . . . . 52 LYS HA . 17926 1
248 . 1 1 73 73 LYS HB2 H 1 1.82 0.02 . 1 . . . . 52 LYS HB2 . 17926 1
249 . 1 1 73 73 LYS HB3 H 1 1.82 0.02 . 1 . . . . 52 LYS HB3 . 17926 1
250 . 1 1 73 73 LYS HG2 H 1 1.46 0.02 . 1 . . . . 52 LYS HG2 . 17926 1
251 . 1 1 73 73 LYS HG3 H 1 1.46 0.02 . 1 . . . . 52 LYS HG3 . 17926 1
252 . 1 1 73 73 LYS C C 13 176.80 0.15 . 1 . . . . 52 LYS C . 17926 1
253 . 1 1 73 73 LYS CA C 13 56.49 0.08 . 1 . . . . 52 LYS CA . 17926 1
254 . 1 1 73 73 LYS CB C 13 32.92 0.08 . 1 . . . . 52 LYS CB . 17926 1
255 . 1 1 73 73 LYS CG C 13 24.91 0.08 . 1 . . . . 52 LYS CG . 17926 1
256 . 1 1 73 73 LYS N N 15 122.06 0.13 . 1 . . . . 52 LYS N . 17926 1
257 . 1 1 74 74 LYS H H 1 8.38 0.02 . 1 . . . . 53 LYS H . 17926 1
258 . 1 1 74 74 LYS HA H 1 4.29 0.02 . 1 . . . . 53 LYS HA . 17926 1
259 . 1 1 74 74 LYS HB2 H 1 1.82 0.02 . 1 . . . . 53 LYS HB2 . 17926 1
260 . 1 1 74 74 LYS HB3 H 1 1.82 0.02 . 1 . . . . 53 LYS HB3 . 17926 1
261 . 1 1 74 74 LYS HG2 H 1 1.47 0.02 . 1 . . . . 53 LYS HG2 . 17926 1
262 . 1 1 74 74 LYS HG3 H 1 1.47 0.02 . 1 . . . . 53 LYS HG3 . 17926 1
263 . 1 1 74 74 LYS C C 13 176.65 0.15 . 1 . . . . 53 LYS C . 17926 1
264 . 1 1 74 74 LYS CB C 13 32.99 0.08 . 1 . . . . 53 LYS CB . 17926 1
265 . 1 1 74 74 LYS CG C 13 24.91 0.08 . 1 . . . . 53 LYS CG . 17926 1
266 . 1 1 74 74 LYS N N 15 122.69 0.13 . 1 . . . . 53 LYS N . 17926 1
267 . 1 1 75 75 ALA H H 1 8.50 0.02 . 1 . . . . 54 ALA H . 17926 1
268 . 1 1 75 75 ALA HA H 1 4.32 0.02 . 1 . . . . 54 ALA HA . 17926 1
269 . 1 1 75 75 ALA HB1 H 1 1.42 0.02 . 1 . . . . 54 ALA MB . 17926 1
270 . 1 1 75 75 ALA HB2 H 1 1.42 0.02 . 1 . . . . 54 ALA MB . 17926 1
271 . 1 1 75 75 ALA HB3 H 1 1.42 0.02 . 1 . . . . 54 ALA MB . 17926 1
272 . 1 1 75 75 ALA C C 13 177.56 0.15 . 1 . . . . 54 ALA C . 17926 1
273 . 1 1 75 75 ALA CA C 13 52.62 0.08 . 1 . . . . 54 ALA CA . 17926 1
274 . 1 1 75 75 ALA CB C 13 19.00 0.08 . 1 . . . . 54 ALA CB . 17926 1
275 . 1 1 75 75 ALA N N 15 125.58 0.13 . 1 . . . . 54 ALA N . 17926 1
276 . 1 1 76 76 ASP H H 1 8.32 0.02 . 1 . . . . 55 ASP H . 17926 1
277 . 1 1 76 76 ASP HA H 1 4.60 0.02 . 1 . . . . 55 ASP HA . 17926 1
278 . 1 1 76 76 ASP HB2 H 1 2.74 0.02 . 1 . . . . 55 ASP HB2 . 17926 1
279 . 1 1 76 76 ASP HB3 H 1 2.74 0.02 . 1 . . . . 55 ASP HB3 . 17926 1
280 . 1 1 76 76 ASP C C 13 176.95 0.15 . 1 . . . . 55 ASP C . 17926 1
281 . 1 1 76 76 ASP CA C 13 54.24 0.08 . 1 . . . . 55 ASP CA . 17926 1
282 . 1 1 76 76 ASP CB C 13 41.07 0.08 . 1 . . . . 55 ASP CB . 17926 1
283 . 1 1 76 76 ASP N N 15 119.45 0.13 . 1 . . . . 55 ASP N . 17926 1
284 . 1 1 77 77 GLY H H 1 8.40 0.02 . 1 . . . . 56 GLY H . 17926 1
285 . 1 1 77 77 GLY HA2 H 1 4.06 0.02 . 2 . . . . 56 GLY HA2 . 17926 1
286 . 1 1 77 77 GLY HA3 H 1 3.94 0.02 . 2 . . . . 56 GLY HA3 . 17926 1
287 . 1 1 77 77 GLY C C 13 174.21 0.15 . 1 . . . . 56 GLY C . 17926 1
288 . 1 1 77 77 GLY CA C 13 45.41 0.08 . 1 . . . . 56 GLY CA . 17926 1
289 . 1 1 77 77 GLY N N 15 109.36 0.13 . 1 . . . . 56 GLY N . 17926 1
290 . 1 1 78 78 SER H H 1 8.23 0.02 . 1 . . . A 57 SER H . 17926 1
291 . 1 1 78 78 SER HA H 1 4.44 0.02 . 1 . . . A 57 SER HA . 17926 1
292 . 1 1 78 78 SER HB2 H 1 3.87 0.02 . 1 . . . A 57 SER HB3 . 17926 1
293 . 1 1 78 78 SER HB3 H 1 3.87 0.02 . 1 . . . A 57 SER HB3 . 17926 1
294 . 1 1 78 78 SER C C 13 173.83 0.15 . 1 . . . A 57 SER C . 17926 1
295 . 1 1 78 78 SER CA C 13 58.50 0.08 . 1 . . . A 57 SER CA . 17926 1
296 . 1 1 78 78 SER CB C 13 64.05 0.08 . 1 . . . A 57 SER CB . 17926 1
297 . 1 1 78 78 SER N N 15 115.72 0.13 . 1 . . . A 57 SER N . 17926 1
298 . 1 1 79 79 ASP H H 1 8.60 0.02 . 1 . . . A 58 ASP H . 17926 1
299 . 1 1 79 79 ASP HA H 1 4.97 0.02 . 1 . . . A 58 ASP HA . 17926 1
300 . 1 1 79 79 ASP HB2 H 1 2.87 0.02 . 2 . . . A 58 ASP HB3 . 17926 1
301 . 1 1 79 79 ASP HB3 H 1 2.66 0.02 . 2 . . . A 58 ASP HB3 . 17926 1
302 . 1 1 79 79 ASP CA C 13 52.04 0.08 . 1 . . . A 58 ASP CA . 17926 1
303 . 1 1 79 79 ASP CB C 13 41.84 0.08 . 1 . . . A 58 ASP CB . 17926 1
304 . 1 1 79 79 ASP N N 15 123.58 0.13 . 1 . . . A 58 ASP N . 17926 1
305 . 1 1 80 80 PRO HA H 1 4.44 0.02 . 1 . . . A 59 PRO HA . 17926 1
306 . 1 1 80 80 PRO HB2 H 1 2.36 0.02 . 2 . . . A 59 PRO HB3 . 17926 1
307 . 1 1 80 80 PRO HB3 H 1 2.01 0.02 . 2 . . . A 59 PRO HB3 . 17926 1
308 . 1 1 80 80 PRO C C 13 178.09 0.15 . 1 . . . A 59 PRO C . 17926 1
309 . 1 1 80 80 PRO CA C 13 64.13 0.08 . 1 . . . A 59 PRO CA . 17926 1
310 . 1 1 80 80 PRO CB C 13 32.21 0.08 . 1 . . . A 59 PRO CB . 17926 1
311 . 1 1 80 80 PRO CG C 13 27.52 0.08 . 1 . . . A 59 PRO CG . 17926 1
312 . 1 1 81 81 LEU H H 1 8.43 0.02 . 1 . . . A 60 LEU H . 17926 1
313 . 1 1 81 81 LEU HA H 1 4.34 0.02 . 1 . . . A 60 LEU HA . 17926 1
314 . 1 1 81 81 LEU HB2 H 1 1.70 0.02 . 1 . . . A 60 LEU HB3 . 17926 1
315 . 1 1 81 81 LEU HB3 H 1 1.70 0.02 . 1 . . . A 60 LEU HB3 . 17926 1
316 . 1 1 81 81 LEU HD11 H 1 0.85 0.02 . 1 . . . A 60 LEU HD11 . 17926 1
317 . 1 1 81 81 LEU HD12 H 1 0.85 0.02 . 1 . . . A 60 LEU HD12 . 17926 1
318 . 1 1 81 81 LEU HD13 H 1 0.85 0.02 . 1 . . . A 60 LEU HD13 . 17926 1
319 . 1 1 81 81 LEU HD21 H 1 0.85 0.02 . 1 . . . A 60 LEU HD21 . 17926 1
320 . 1 1 81 81 LEU HD22 H 1 0.85 0.02 . 1 . . . A 60 LEU HD22 . 17926 1
321 . 1 1 81 81 LEU HD23 H 1 0.85 0.02 . 1 . . . A 60 LEU HD23 . 17926 1
322 . 1 1 81 81 LEU C C 13 177.75 0.15 . 1 . . . A 60 LEU C . 17926 1
323 . 1 1 81 81 LEU CA C 13 56.15 0.08 . 1 . . . A 60 LEU CA . 17926 1
324 . 1 1 81 81 LEU CB C 13 41.68 0.08 . 1 . . . A 60 LEU CB . 17926 1
325 . 1 1 81 81 LEU CG C 13 27.05 0.08 . 1 . . . A 60 LEU CG . 17926 1
326 . 1 1 81 81 LEU CD1 C 13 24.83 0.08 . 2 . . . A 60 LEU CD1 . 17926 1
327 . 1 1 81 81 LEU CD2 C 13 23.93 0.08 . 2 . . . A 60 LEU CD2 . 17926 1
328 . 1 1 81 81 LEU N N 15 120.90 0.13 . 1 . . . A 60 LEU N . 17926 1
329 . 1 1 82 82 GLU H H 1 7.96 0.02 . 1 . . . A 61 GLU H . 17926 1
330 . 1 1 82 82 GLU HA H 1 3.91 0.02 . 1 . . . A 61 GLU HA . 17926 1
331 . 1 1 82 82 GLU HB2 H 1 2.11 0.02 . 1 . . . A 61 GLU HB3 . 17926 1
332 . 1 1 82 82 GLU HB3 H 1 2.11 0.02 . 1 . . . A 61 GLU HB3 . 17926 1
333 . 1 1 82 82 GLU C C 13 178.63 0.15 . 1 . . . A 61 GLU C . 17926 1
334 . 1 1 82 82 GLU CA C 13 59.45 0.08 . 1 . . . A 61 GLU CA . 17926 1
335 . 1 1 82 82 GLU CB C 13 29.66 0.08 . 1 . . . A 61 GLU CB . 17926 1
336 . 1 1 82 82 GLU CG C 13 36.42 0.08 . 1 . . . A 61 GLU CG . 17926 1
337 . 1 1 82 82 GLU N N 15 120.39 0.13 . 1 . . . A 61 GLU N . 17926 1
338 . 1 1 83 83 GLU H H 1 8.15 0.02 . 1 . . . A 62 GLU H . 17926 1
339 . 1 1 83 83 GLU HA H 1 4.12 0.02 . 1 . . . A 62 GLU HA . 17926 1
340 . 1 1 83 83 GLU HB2 H 1 2.06 0.02 . 1 . . . A 62 GLU HB3 . 17926 1
341 . 1 1 83 83 GLU HB3 H 1 2.06 0.02 . 1 . . . A 62 GLU HB3 . 17926 1
342 . 1 1 83 83 GLU C C 13 178.32 0.15 . 1 . . . A 62 GLU C . 17926 1
343 . 1 1 83 83 GLU CA C 13 56.65 0.08 . 1 . . . A 62 GLU CA . 17926 1
344 . 1 1 83 83 GLU CB C 13 29.58 0.08 . 1 . . . A 62 GLU CB . 17926 1
345 . 1 1 83 83 GLU CG C 13 36.35 0.08 . 1 . . . A 62 GLU CG . 17926 1
346 . 1 1 83 83 GLU N N 15 118.10 0.13 . 1 . . . A 62 GLU N . 17926 1
347 . 1 1 84 84 TYR H H 1 8.08 0.02 . 1 . . . A 63 TYR H . 17926 1
348 . 1 1 84 84 TYR HA H 1 4.29 0.02 . 1 . . . A 63 TYR HA . 17926 1
349 . 1 1 84 84 TYR HB2 H 1 3.21 0.02 . 2 . . . A 63 TYR HB3 . 17926 1
350 . 1 1 84 84 TYR HB3 H 1 3.02 0.02 . 2 . . . A 63 TYR HB3 . 17926 1
351 . 1 1 84 84 TYR HD1 H 1 7.06 0.02 . 3 . . . A 63 TYR HD1 . 17926 1
352 . 1 1 84 84 TYR HD2 H 1 7.06 0.02 . 3 . . . A 63 TYR HD2 . 17926 1
353 . 1 1 84 84 TYR HE1 H 1 6.88 0.02 . 3 . . . A 63 TYR HE1 . 17926 1
354 . 1 1 84 84 TYR HE2 H 1 6.88 0.02 . 3 . . . A 63 TYR HE2 . 17926 1
355 . 1 1 84 84 TYR C C 13 178.78 0.15 . 1 . . . A 63 TYR C . 17926 1
356 . 1 1 84 84 TYR CA C 13 61.51 0.08 . 1 . . . A 63 TYR CA . 17926 1
357 . 1 1 84 84 TYR CB C 13 38.59 0.08 . 1 . . . A 63 TYR CB . 17926 1
358 . 1 1 84 84 TYR N N 15 120.94 0.13 . 1 . . . A 63 TYR N . 17926 1
359 . 1 1 85 85 CYS H H 1 8.81 0.02 . 1 . . . A 64 CYS H . 17926 1
360 . 1 1 85 85 CYS HA H 1 4.54 0.02 . 1 . . . A 64 CYS HA . 17926 1
361 . 1 1 85 85 CYS HB2 H 1 3.07 0.02 . 2 . . . A 64 CYS HB3 . 17926 1
362 . 1 1 85 85 CYS HB3 H 1 2.81 0.02 . 2 . . . A 64 CYS HB3 . 17926 1
363 . 1 1 85 85 CYS C C 13 176.76 0.15 . 1 . . . A 64 CYS C . 17926 1
364 . 1 1 85 85 CYS CA C 13 55.23 0.08 . 1 . . . A 64 CYS CA . 17926 1
365 . 1 1 85 85 CYS CB C 13 36.57 0.08 . 1 . . . A 64 CYS CB . 17926 1
366 . 1 1 85 85 CYS N N 15 116.40 0.13 . 1 . . . A 64 CYS N . 17926 1
367 . 1 1 86 86 LYS H H 1 7.70 0.02 . 1 . . . A 65 LYS H . 17926 1
368 . 1 1 86 86 LYS HA H 1 4.07 0.02 . 1 . . . A 65 LYS HA . 17926 1
369 . 1 1 86 86 LYS HB2 H 1 1.90 0.02 . 1 . . . A 65 LYS HB3 . 17926 1
370 . 1 1 86 86 LYS HB3 H 1 1.90 0.02 . 1 . . . A 65 LYS HB3 . 17926 1
371 . 1 1 86 86 LYS HG2 H 1 1.44 0.02 . 1 . . . A 65 LYS HG3 . 17926 1
372 . 1 1 86 86 LYS HG3 H 1 1.44 0.02 . 1 . . . A 65 LYS HG3 . 17926 1
373 . 1 1 86 86 LYS HD2 H 1 1.62 0.02 . 1 . . . A 65 LYS HD3 . 17926 1
374 . 1 1 86 86 LYS HD3 H 1 1.62 0.02 . 1 . . . A 65 LYS HD3 . 17926 1
375 . 1 1 86 86 LYS C C 13 177.87 0.15 . 1 . . . A 65 LYS C . 17926 1
376 . 1 1 86 86 LYS CA C 13 59.05 0.08 . 1 . . . A 65 LYS CA . 17926 1
377 . 1 1 86 86 LYS CB C 13 32.00 0.08 . 1 . . . A 65 LYS CB . 17926 1
378 . 1 1 86 86 LYS CG C 13 24.96 0.08 . 1 . . . A 65 LYS CG . 17926 1
379 . 1 1 86 86 LYS N N 15 121.42 0.13 . 1 . . . A 65 LYS N . 17926 1
380 . 1 1 87 87 ASP H H 1 7.18 0.02 . 1 . . . A 66 ASP H . 17926 1
381 . 1 1 87 87 ASP HA H 1 4.68 0.02 . 1 . . . A 66 ASP HA . 17926 1
382 . 1 1 87 87 ASP HB2 H 1 2.67 0.02 . 2 . . . A 66 ASP HB3 . 17926 1
383 . 1 1 87 87 ASP HB3 H 1 2.45 0.02 . 2 . . . A 66 ASP HB3 . 17926 1
384 . 1 1 87 87 ASP C C 13 175.74 0.15 . 1 . . . A 66 ASP C . 17926 1
385 . 1 1 87 87 ASP CA C 13 54.99 0.08 . 1 . . . A 66 ASP CA . 17926 1
386 . 1 1 87 87 ASP CB C 13 41.97 0.08 . 1 . . . A 66 ASP CB . 17926 1
387 . 1 1 87 87 ASP N N 15 116.02 0.13 . 1 . . . A 66 ASP N . 17926 1
388 . 1 1 88 88 ASN H H 1 7.51 0.02 . 1 . . . A 67 ASN H . 17926 1
389 . 1 1 88 88 ASN HA H 1 5.12 0.02 . 1 . . . A 67 ASN HA . 17926 1
390 . 1 1 88 88 ASN HB2 H 1 2.40 0.02 . 2 . . . A 67 ASN HB3 . 17926 1
391 . 1 1 88 88 ASN HB3 H 1 2.03 0.02 . 2 . . . A 67 ASN HB3 . 17926 1
392 . 1 1 88 88 ASN HD21 H 1 6.52 0.02 . 2 . . . A 67 ASN HD21 . 17926 1
393 . 1 1 88 88 ASN HD22 H 1 7.03 0.02 . 2 . . . A 67 ASN HD22 . 17926 1
394 . 1 1 88 88 ASN CA C 13 51.60 0.08 . 1 . . . A 67 ASN CA . 17926 1
395 . 1 1 88 88 ASN CB C 13 39.85 0.08 . 1 . . . A 67 ASN CB . 17926 1
396 . 1 1 88 88 ASN CG C 13 178.17 0.15 . 1 . . . A 67 ASN CG . 17926 1
397 . 1 1 88 88 ASN N N 15 117.17 0.13 . 1 . . . A 67 ASN N . 17926 1
398 . 1 1 88 88 ASN ND2 N 15 118.09 0.13 . 1 . . . A 67 ASN ND2 . 17926 1
399 . 1 1 89 89 PRO HA H 1 4.40 0.02 . 1 . . . A 68 PRO HA . 17926 1
400 . 1 1 89 89 PRO HB2 H 1 2.35 0.02 . 2 . . . A 68 PRO HB3 . 17926 1
401 . 1 1 89 89 PRO HB3 H 1 2.01 0.02 . 2 . . . A 68 PRO HB3 . 17926 1
402 . 1 1 89 89 PRO HG2 H 1 2.03 0.02 . 2 . . . A 68 PRO HG3 . 17926 1
403 . 1 1 89 89 PRO HG3 H 1 1.92 0.02 . 2 . . . A 68 PRO HG3 . 17926 1
404 . 1 1 89 89 PRO HD2 H 1 3.57 0.02 . 2 . . . A 68 PRO HD3 . 17926 1
405 . 1 1 89 89 PRO HD3 H 1 3.36 0.02 . 2 . . . A 68 PRO HD3 . 17926 1
406 . 1 1 89 89 PRO C C 13 177.71 0.15 . 1 . . . A 68 PRO C . 17926 1
407 . 1 1 89 89 PRO CA C 13 65.24 0.08 . 1 . . . A 68 PRO CA . 17926 1
408 . 1 1 89 89 PRO CB C 13 32.23 0.08 . 1 . . . A 68 PRO CB . 17926 1
409 . 1 1 89 89 PRO CG C 13 27.50 0.08 . 1 . . . A 68 PRO CG . 17926 1
410 . 1 1 89 89 PRO CD C 13 50.35 0.08 . 1 . . . A 68 PRO CD . 17926 1
411 . 1 1 90 90 GLU H H 1 8.74 0.02 . 1 . . . A 69 GLU H . 17926 1
412 . 1 1 90 90 GLU HA H 1 4.39 0.02 . 1 . . . A 69 GLU HA . 17926 1
413 . 1 1 90 90 GLU HB2 H 1 2.22 0.02 . 2 . . . A 69 GLU HB3 . 17926 1
414 . 1 1 90 90 GLU HB3 H 1 1.97 0.02 . 2 . . . A 69 GLU HB3 . 17926 1
415 . 1 1 90 90 GLU HG2 H 1 2.29 0.02 . 1 . . . A 69 GLU HG3 . 17926 1
416 . 1 1 90 90 GLU HG3 H 1 2.29 0.02 . 1 . . . A 69 GLU HG3 . 17926 1
417 . 1 1 90 90 GLU C C 13 177.11 0.15 . 1 . . . A 69 GLU C . 17926 1
418 . 1 1 90 90 GLU CA C 13 56.13 0.08 . 1 . . . A 69 GLU CA . 17926 1
419 . 1 1 90 90 GLU CB C 13 28.85 0.08 . 1 . . . A 69 GLU CB . 17926 1
420 . 1 1 90 90 GLU CG C 13 36.48 0.08 . 1 . . . A 69 GLU CG . 17926 1
421 . 1 1 90 90 GLU N N 15 117.09 0.13 . 1 . . . A 69 GLU N . 17926 1
422 . 1 1 91 91 THR H H 1 7.35 0.02 . 1 . . . A 70 THR H . 17926 1
423 . 1 1 91 91 THR HA H 1 4.53 0.02 . 1 . . . A 70 THR HA . 17926 1
424 . 1 1 91 91 THR HB H 1 4.34 0.02 . 1 . . . A 70 THR HB . 17926 1
425 . 1 1 91 91 THR HG21 H 1 1.37 0.02 . 1 . . . A 70 THR HG21 . 17926 1
426 . 1 1 91 91 THR HG22 H 1 1.37 0.02 . 1 . . . A 70 THR HG22 . 17926 1
427 . 1 1 91 91 THR HG23 H 1 1.37 0.02 . 1 . . . A 70 THR HG23 . 17926 1
428 . 1 1 91 91 THR C C 13 176.26 0.15 . 1 . . . A 70 THR C . 17926 1
429 . 1 1 91 91 THR CA C 13 61.40 0.08 . 1 . . . A 70 THR CA . 17926 1
430 . 1 1 91 91 THR CB C 13 70.90 0.08 . 1 . . . A 70 THR CB . 17926 1
431 . 1 1 91 91 THR CG2 C 13 22.94 0.08 . 1 . . . A 70 THR CG2 . 17926 1
432 . 1 1 91 91 THR N N 15 111.55 0.13 . 1 . . . A 70 THR N . 17926 1
433 . 1 1 92 92 ASN H H 1 9.14 0.02 . 1 . . . A 71 ASN H . 17926 1
434 . 1 1 92 92 ASN HA H 1 4.38 0.02 . 1 . . . A 71 ASN HA . 17926 1
435 . 1 1 92 92 ASN HB2 H 1 2.86 0.02 . 1 . . . A 71 ASN HB3 . 17926 1
436 . 1 1 92 92 ASN HB3 H 1 2.86 0.02 . 1 . . . A 71 ASN HB3 . 17926 1
437 . 1 1 92 92 ASN HD21 H 1 7.82 0.02 . 1 . . . A 71 ASN HD21 . 17926 1
438 . 1 1 92 92 ASN HD22 H 1 7.05 0.02 . 1 . . . A 71 ASN HD22 . 17926 1
439 . 1 1 92 92 ASN C C 13 177.72 0.15 . 1 . . . A 71 ASN C . 17926 1
440 . 1 1 92 92 ASN CA C 13 56.76 0.08 . 1 . . . A 71 ASN CA . 17926 1
441 . 1 1 92 92 ASN CB C 13 38.33 0.08 . 1 . . . A 71 ASN CB . 17926 1
442 . 1 1 92 92 ASN CG C 13 176.24 0.15 . 1 . . . A 71 ASN CG . 17926 1
443 . 1 1 92 92 ASN N N 15 122.70 0.13 . 1 . . . A 71 ASN N . 17926 1
444 . 1 1 92 92 ASN ND2 N 15 113.35 0.13 . 1 . . . A 71 ASN ND2 . 17926 1
445 . 1 1 93 93 GLU H H 1 9.80 0.02 . 1 . . . A 72 GLU H . 17926 1
446 . 1 1 93 93 GLU HA H 1 4.23 0.02 . 1 . . . A 72 GLU HA . 17926 1
447 . 1 1 93 93 GLU HB2 H 1 2.12 0.02 . 1 . . . A 72 GLU HB3 . 17926 1
448 . 1 1 93 93 GLU HB3 H 1 2.12 0.02 . 1 . . . A 72 GLU HB3 . 17926 1
449 . 1 1 93 93 GLU C C 13 176.81 0.15 . 1 . . . A 72 GLU C . 17926 1
450 . 1 1 93 93 GLU CA C 13 58.66 0.08 . 1 . . . A 72 GLU CA . 17926 1
451 . 1 1 93 93 GLU CB C 13 28.82 0.08 . 1 . . . A 72 GLU CB . 17926 1
452 . 1 1 93 93 GLU CG C 13 36.72 0.08 . 1 . . . A 72 GLU CG . 17926 1
453 . 1 1 93 93 GLU N N 15 118.08 0.13 . 1 . . . A 72 GLU N . 17926 1
454 . 1 1 94 94 CYS H H 1 7.69 0.02 . 1 . . . A 73 CYS H . 17926 1
455 . 1 1 94 94 CYS HA H 1 4.84 0.02 . 1 . . . A 73 CYS HA . 17926 1
456 . 1 1 94 94 CYS HB2 H 1 3.17 0.02 . 2 . . . A 73 CYS HB3 . 17926 1
457 . 1 1 94 94 CYS HB3 H 1 2.88 0.02 . 2 . . . A 73 CYS HB3 . 17926 1
458 . 1 1 94 94 CYS C C 13 175.28 0.15 . 1 . . . A 73 CYS C . 17926 1
459 . 1 1 94 94 CYS CA C 13 55.37 0.08 . 1 . . . A 73 CYS CA . 17926 1
460 . 1 1 94 94 CYS CB C 13 39.61 0.08 . 1 . . . A 73 CYS CB . 17926 1
461 . 1 1 94 94 CYS N N 15 117.02 0.13 . 1 . . . A 73 CYS N . 17926 1
462 . 1 1 95 95 ARG H H 1 7.79 0.02 . 1 . . . A 74 ARG H . 17926 1
463 . 1 1 95 95 ARG HA H 1 4.40 0.02 . 1 . . . A 74 ARG HA . 17926 1
464 . 1 1 95 95 ARG HB2 H 1 1.84 0.02 . 1 . . . A 74 ARG HB3 . 17926 1
465 . 1 1 95 95 ARG HB3 H 1 1.84 0.02 . 1 . . . A 74 ARG HB3 . 17926 1
466 . 1 1 95 95 ARG HG2 H 1 1.68 0.02 . 1 . . . A 74 ARG HG3 . 17926 1
467 . 1 1 95 95 ARG HG3 H 1 1.68 0.02 . 1 . . . A 74 ARG HG3 . 17926 1
468 . 1 1 95 95 ARG HD2 H 1 3.23 0.02 . 5 . . . A 74 ARG HD3 . 17926 1
469 . 1 1 95 95 ARG HD3 H 1 3.23 0.02 . 5 . . . A 74 ARG HD3 . 17926 1
470 . 1 1 95 95 ARG HE H 1 7.19 0.02 . 5 . . . A 74 ARG HE . 17926 1
471 . 1 1 95 95 ARG C C 13 176.50 0.15 . 1 . . . A 74 ARG C . 17926 1
472 . 1 1 95 95 ARG CA C 13 57.12 0.08 . 1 . . . A 74 ARG CA . 17926 1
473 . 1 1 95 95 ARG CB C 13 30.76 0.08 . 1 . . . A 74 ARG CB . 17926 1
474 . 1 1 95 95 ARG CG C 13 27.03 0.08 . 1 . . . A 74 ARG CG . 17926 1
475 . 1 1 95 95 ARG N N 15 121.93 0.13 . 1 . . . A 74 ARG N . 17926 1
476 . 1 1 95 95 ARG NE N 15 84.52 0.13 . 1 . . . A 74 ARG NE . 17926 1
477 . 1 1 96 96 THR H H 1 8.10 0.02 . 1 . . . A 75 THR H . 17926 1
478 . 1 1 96 96 THR HA H 1 4.34 0.02 . 1 . . . A 75 THR HA . 17926 1
479 . 1 1 96 96 THR HB H 1 4.20 0.02 . 1 . . . A 75 THR HB . 17926 1
480 . 1 1 96 96 THR HG21 H 1 1.15 0.02 . 1 . . . A 75 THR HG21 . 17926 1
481 . 1 1 96 96 THR HG22 H 1 1.15 0.02 . 1 . . . A 75 THR HG22 . 17926 1
482 . 1 1 96 96 THR HG23 H 1 1.15 0.02 . 1 . . . A 75 THR HG23 . 17926 1
483 . 1 1 96 96 THR C C 13 174.10 0.15 . 1 . . . A 75 THR C . 17926 1
484 . 1 1 96 96 THR CA C 13 61.72 0.08 . 1 . . . A 75 THR CA . 17926 1
485 . 1 1 96 96 THR CB C 13 69.70 0.08 . 1 . . . A 75 THR CB . 17926 1
486 . 1 1 96 96 THR CG2 C 13 21.48 0.08 . 1 . . . A 75 THR CG2 . 17926 1
487 . 1 1 96 96 THR N N 15 113.20 0.13 . 1 . . . A 75 THR N . 17926 1
488 . 1 1 97 97 TYR H H 1 8.06 0.02 . 1 . . . A 76 TYR H . 17926 1
489 . 1 1 97 97 TYR HA H 1 4.59 0.02 . 1 . . . A 76 TYR HA . 17926 1
490 . 1 1 97 97 TYR HB2 H 1 3.16 0.02 . 2 . . . A 76 TYR HB3 . 17926 1
491 . 1 1 97 97 TYR HB3 H 1 2.95 0.02 . 2 . . . A 76 TYR HB3 . 17926 1
492 . 1 1 97 97 TYR HD1 H 1 7.14 0.02 . 3 . . . A 76 TYR HD1 . 17926 1
493 . 1 1 97 97 TYR HD2 H 1 7.14 0.02 . 3 . . . A 76 TYR HD2 . 17926 1
494 . 1 1 97 97 TYR HE1 H 1 6.81 0.02 . 3 . . . A 76 TYR HE1 . 17926 1
495 . 1 1 97 97 TYR HE2 H 1 6.81 0.02 . 3 . . . A 76 TYR HE2 . 17926 1
496 . 1 1 97 97 TYR C C 13 175.28 0.15 . 1 . . . A 76 TYR C . 17926 1
497 . 1 1 97 97 TYR CA C 13 57.92 0.08 . 1 . . . A 76 TYR CA . 17926 1
498 . 1 1 97 97 TYR CB C 13 39.08 0.08 . 1 . . . A 76 TYR CB . 17926 1
499 . 1 1 97 97 TYR N N 15 121.92 0.13 . 1 . . . A 76 TYR N . 17926 1
500 . 1 1 98 98 ASP H H 1 8.31 0.02 . 1 . . . A 77 ASP H . 17926 1
501 . 1 1 98 98 ASP HA H 1 4.63 0.02 . 1 . . . A 77 ASP HA . 17926 1
502 . 1 1 98 98 ASP HB2 H 1 2.74 0.02 . 2 . . . A 77 ASP HB3 . 17926 1
503 . 1 1 98 98 ASP HB3 H 1 2.55 0.02 . 2 . . . A 77 ASP HB3 . 17926 1
504 . 1 1 98 98 ASP C C 13 174.82 0.15 . 1 . . . A 77 ASP C . 17926 1
505 . 1 1 98 98 ASP CA C 13 54.30 0.08 . 1 . . . A 77 ASP CA . 17926 1
506 . 1 1 98 98 ASP CB C 13 41.20 0.08 . 1 . . . A 77 ASP CB . 17926 1
507 . 1 1 98 98 ASP N N 15 122.13 0.13 . 1 . . . A 77 ASP N . 17926 1
508 . 1 1 99 99 ASN H H 1 7.90 0.02 . 1 . . . A 78 ASN H . 17926 1
509 . 1 1 99 99 ASN HA H 1 4.45 0.02 . 1 . . . A 78 ASN HA . 17926 1
510 . 1 1 99 99 ASN HB2 H 1 2.74 0.02 . 2 . . . A 78 ASN HB3 . 17926 1
511 . 1 1 99 99 ASN HB3 H 1 2.66 0.02 . 2 . . . A 78 ASN HB3 . 17926 1
512 . 1 1 99 99 ASN HD21 H 1 6.83 0.02 . 1 . . . A 78 ASN HD21 . 17926 1
513 . 1 1 99 99 ASN HD22 H 1 7.50 0.02 . 1 . . . A 78 ASN HD22 . 17926 1
514 . 1 1 99 99 ASN CA C 13 54.78 0.08 . 1 . . . A 78 ASN CA . 17926 1
515 . 1 1 99 99 ASN CB C 13 40.45 0.08 . 1 . . . A 78 ASN CB . 17926 1
516 . 1 1 99 99 ASN CG C 13 178.23 0.15 . 1 . . . A 78 ASN CG . 17926 1
517 . 1 1 99 99 ASN N N 15 123.99 0.13 . 1 . . . A 78 ASN N . 17926 1
518 . 1 1 99 99 ASN ND2 N 15 112.68 0.13 . 1 . . . A 78 ASN ND2 . 17926 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
1 218 17926 1
1 219 17926 1
1 468 17926 1
1 469 17926 1
2 220 17926 1
2 470 17926 1
stop_
save_