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 30069
_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 0.2
_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' . . . 30069 1
2 '2D 1H-13C HSQC aliphatic' . . . 30069 1
4 '2D 1H-1H TOCSY' . . . 30069 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
5 $software_5 . . 30069 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 ALA HA H 1 4.39 0.02 . 1 . . . A 1 ALA HA . 30069 1
2 . 1 1 1 1 ALA HB1 H 1 1.56 0.02 . 1 . . . A 1 ALA HB1 . 30069 1
3 . 1 1 1 1 ALA HB2 H 1 1.56 0.02 . 1 . . . A 1 ALA HB2 . 30069 1
4 . 1 1 1 1 ALA HB3 H 1 1.56 0.02 . 1 . . . A 1 ALA HB3 . 30069 1
5 . 1 1 1 1 ALA CA C 13 50.9 0.2 . 1 . . . A 1 ALA CA . 30069 1
6 . 1 1 1 1 ALA CB C 13 18.0 0.2 . 1 . . . A 1 ALA CB . 30069 1
7 . 1 1 2 2 PRO HA H 1 4.65 0.02 . 1 . . . A 2 PRO HA . 30069 1
8 . 1 1 2 2 PRO HB2 H 1 2.30 0.02 . 2 . . . A 2 PRO HB2 . 30069 1
9 . 1 1 2 2 PRO HB3 H 1 2.30 0.02 . 2 . . . A 2 PRO HB3 . 30069 1
10 . 1 1 2 2 PRO HG2 H 1 2.03 0.02 . 2 . . . A 2 PRO HG2 . 30069 1
11 . 1 1 2 2 PRO HG3 H 1 2.08 0.02 . 2 . . . A 2 PRO HG3 . 30069 1
12 . 1 1 2 2 PRO HD2 H 1 3.72 0.02 . 2 . . . A 2 PRO HD2 . 30069 1
13 . 1 1 2 2 PRO HD3 H 1 3.66 0.02 . 2 . . . A 2 PRO HD3 . 30069 1
14 . 1 1 2 2 PRO CA C 13 63.1 0.2 . 1 . . . A 2 PRO CA . 30069 1
15 . 1 1 2 2 PRO CB C 13 32.2 0.2 . 1 . . . A 2 PRO CB . 30069 1
16 . 1 1 2 2 PRO CG C 13 27.4 0.2 . 1 . . . A 2 PRO CG . 30069 1
17 . 1 1 2 2 PRO CD C 13 50.2 0.2 . 1 . . . A 2 PRO CD . 30069 1
18 . 1 1 3 3 CYS H H 1 8.52 0.02 . 1 . . . A 3 CYS H . 30069 1
19 . 1 1 3 3 CYS HB2 H 1 2.54 0.02 . 2 . . . A 3 CYS HB2 . 30069 1
20 . 1 1 3 3 CYS HB3 H 1 2.95 0.02 . 2 . . . A 3 CYS HB3 . 30069 1
21 . 1 1 3 3 CYS CA C 13 56.1 0.2 . 1 . . . A 3 CYS CA . 30069 1
22 . 1 1 3 3 CYS CB C 13 41.6 0.2 . 1 . . . A 3 CYS CB . 30069 1
23 . 1 1 3 3 CYS N N 15 117.1 0.2 . 1 . . . A 3 CYS N . 30069 1
24 . 1 1 4 4 GLU H H 1 8.75 0.02 . 1 . . . A 4 GLU H . 30069 1
25 . 1 1 4 4 GLU HA H 1 4.88 0.02 . 1 . . . A 4 GLU HA . 30069 1
26 . 1 1 4 4 GLU HB2 H 1 2.04 0.02 . 2 . . . A 4 GLU HB2 . 30069 1
27 . 1 1 4 4 GLU HB3 H 1 1.96 0.02 . 2 . . . A 4 GLU HB3 . 30069 1
28 . 1 1 4 4 GLU HG2 H 1 2.41 0.02 . 2 . . . A 4 GLU HG2 . 30069 1
29 . 1 1 4 4 GLU HG3 H 1 2.31 0.02 . 2 . . . A 4 GLU HG3 . 30069 1
30 . 1 1 4 4 GLU CB C 13 32.1 0.2 . 1 . . . A 4 GLU CB . 30069 1
31 . 1 1 4 4 GLU CG C 13 36.5 0.2 . 1 . . . A 4 GLU CG . 30069 1
32 . 1 1 4 4 GLU N N 15 212.2 0.2 . 1 . . . A 4 GLU N . 30069 1
33 . 1 1 5 5 CYS H H 1 9.53 0.02 . 1 . . . A 5 CYS H . 30069 1
34 . 1 1 5 5 CYS HA H 1 5.31 0.02 . 1 . . . A 5 CYS HA . 30069 1
35 . 1 1 5 5 CYS HB2 H 1 2.60 0.02 . 2 . . . A 5 CYS HB2 . 30069 1
36 . 1 1 5 5 CYS HB3 H 1 3.11 0.02 . 2 . . . A 5 CYS HB3 . 30069 1
37 . 1 1 5 5 CYS CA C 13 53.5 0.2 . 1 . . . A 5 CYS CA . 30069 1
38 . 1 1 5 5 CYS CB C 13 39.2 0.2 . 1 . . . A 5 CYS CB . 30069 1
39 . 1 1 5 5 CYS N N 15 126.2 0.2 . 1 . . . A 5 CYS N . 30069 1
40 . 1 1 6 6 ASP H H 1 9.39 0.02 . 1 . . . A 6 ASP H . 30069 1
41 . 1 1 6 6 ASP HA H 1 5.16 0.02 . 1 . . . A 6 ASP HA . 30069 1
42 . 1 1 6 6 ASP HB2 H 1 2.98 0.02 . 2 . . . A 6 ASP HB2 . 30069 1
43 . 1 1 6 6 ASP HB3 H 1 2.74 0.02 . 2 . . . A 6 ASP HB3 . 30069 1
44 . 1 1 6 6 ASP N N 15 129.4 0.2 . 1 . . . A 6 ASP N . 30069 1
45 . 1 1 7 7 VAL H H 1 9.06 0.02 . 1 . . . A 7 VAL H . 30069 1
46 . 1 1 7 7 VAL HA H 1 4.42 0.02 . 1 . . . A 7 VAL HA . 30069 1
47 . 1 1 7 7 VAL HB H 1 2.40 0.02 . 1 . . . A 7 VAL HB . 30069 1
48 . 1 1 7 7 VAL HG11 H 1 0.96 0.02 . 2 . . . A 7 VAL HG11 . 30069 1
49 . 1 1 7 7 VAL HG12 H 1 0.96 0.02 . 2 . . . A 7 VAL HG12 . 30069 1
50 . 1 1 7 7 VAL HG13 H 1 0.96 0.02 . 2 . . . A 7 VAL HG13 . 30069 1
51 . 1 1 7 7 VAL HG21 H 1 0.96 0.02 . 2 . . . A 7 VAL HG21 . 30069 1
52 . 1 1 7 7 VAL HG22 H 1 0.96 0.02 . 2 . . . A 7 VAL HG22 . 30069 1
53 . 1 1 7 7 VAL HG23 H 1 0.96 0.02 . 2 . . . A 7 VAL HG23 . 30069 1
54 . 1 1 7 7 VAL CA C 13 60.6 0.2 . 1 . . . A 7 VAL CA . 30069 1
55 . 1 1 7 7 VAL CB C 13 36.4 0.2 . 1 . . . A 7 VAL CB . 30069 1
56 . 1 1 7 7 VAL CG1 C 13 22.5 0.2 . 2 . . . A 7 VAL CG1 . 30069 1
57 . 1 1 7 7 VAL CG2 C 13 22.3 0.2 . 2 . . . A 7 VAL CG2 . 30069 1
58 . 1 1 7 7 VAL N N 15 126.4 0.2 . 1 . . . A 7 VAL N . 30069 1
59 . 1 1 8 8 ASN H H 1 9.11 0.02 . 1 . . . A 8 ASN H . 30069 1
60 . 1 1 8 8 ASN HA H 1 4.46 0.02 . 1 . . . A 8 ASN HA . 30069 1
61 . 1 1 8 8 ASN HB2 H 1 3.30 0.02 . 2 . . . A 8 ASN HB2 . 30069 1
62 . 1 1 8 8 ASN HB3 H 1 2.68 0.02 . 2 . . . A 8 ASN HB3 . 30069 1
63 . 1 1 8 8 ASN HD21 H 1 7.82 0.02 . 2 . . . A 8 ASN HD21 . 30069 1
64 . 1 1 8 8 ASN HD22 H 1 6.95 0.02 . 2 . . . A 8 ASN HD22 . 30069 1
65 . 1 1 8 8 ASN CA C 13 54.1 0.2 . 1 . . . A 8 ASN CA . 30069 1
66 . 1 1 8 8 ASN CB C 13 38.3 0.2 . 1 . . . A 8 ASN CB . 30069 1
67 . 1 1 8 8 ASN N N 15 125.5 0.2 . 1 . . . A 8 ASN N . 30069 1
68 . 1 1 8 8 ASN ND2 N 15 111.9 0.2 . 1 . . . A 8 ASN ND2 . 30069 1
69 . 1 1 9 9 GLY H H 1 8.46 0.02 . 1 . . . A 9 GLY H . 30069 1
70 . 1 1 9 9 GLY HA2 H 1 4.26 0.02 . 2 . . . A 9 GLY HA2 . 30069 1
71 . 1 1 9 9 GLY HA3 H 1 3.74 0.02 . 2 . . . A 9 GLY HA3 . 30069 1
72 . 1 1 9 9 GLY CA C 13 45.4 0.2 . 1 . . . A 9 GLY CA . 30069 1
73 . 1 1 9 9 GLY N N 15 105.1 0.2 . 1 . . . A 9 GLY N . 30069 1
74 . 1 1 10 10 GLU H H 1 7.74 0.02 . 1 . . . A 10 GLU H . 30069 1
75 . 1 1 10 10 GLU HA H 1 4.62 0.02 . 1 . . . A 10 GLU HA . 30069 1
76 . 1 1 10 10 GLU HB2 H 1 2.05 0.02 . 2 . . . A 10 GLU HB2 . 30069 1
77 . 1 1 10 10 GLU HB3 H 1 2.05 0.02 . 2 . . . A 10 GLU HB3 . 30069 1
78 . 1 1 10 10 GLU HG2 H 1 2.35 0.02 . 2 . . . A 10 GLU HG2 . 30069 1
79 . 1 1 10 10 GLU HG3 H 1 2.23 0.02 . 2 . . . A 10 GLU HG3 . 30069 1
80 . 1 1 10 10 GLU CA C 13 54.5 0.2 . 1 . . . A 10 GLU CA . 30069 1
81 . 1 1 10 10 GLU N N 15 121.1 0.2 . 1 . . . A 10 GLU N . 30069 1
82 . 1 1 11 11 THR H H 1 8.47 0.02 . 1 . . . A 11 THR H . 30069 1
83 . 1 1 11 11 THR HA H 1 4.98 0.02 . 1 . . . A 11 THR HA . 30069 1
84 . 1 1 11 11 THR HB H 1 3.88 0.02 . 1 . . . A 11 THR HB . 30069 1
85 . 1 1 11 11 THR HG21 H 1 1.10 0.02 . 1 . . . A 11 THR HG21 . 30069 1
86 . 1 1 11 11 THR HG22 H 1 1.10 0.02 . 1 . . . A 11 THR HG22 . 30069 1
87 . 1 1 11 11 THR HG23 H 1 1.10 0.02 . 1 . . . A 11 THR HG23 . 30069 1
88 . 1 1 11 11 THR CA C 13 62.2 0.2 . 1 . . . A 11 THR CA . 30069 1
89 . 1 1 11 11 THR CB C 13 69.9 0.2 . 1 . . . A 11 THR CB . 30069 1
90 . 1 1 11 11 THR CG2 C 13 22.1 0.2 . 1 . . . A 11 THR CG2 . 30069 1
91 . 1 1 11 11 THR N N 15 118.8 0.2 . 1 . . . A 11 THR N . 30069 1
92 . 1 1 12 12 TYR H H 1 9.18 0.02 . 1 . . . A 12 TYR H . 30069 1
93 . 1 1 12 12 TYR HA H 1 4.79 0.02 . 1 . . . A 12 TYR HA . 30069 1
94 . 1 1 12 12 TYR HB2 H 1 2.56 0.02 . 2 . . . A 12 TYR HB2 . 30069 1
95 . 1 1 12 12 TYR HB3 H 1 2.95 0.02 . 2 . . . A 12 TYR HB3 . 30069 1
96 . 1 1 12 12 TYR HD1 H 1 7.18 0.02 . 2 . . . A 12 TYR HD1 . 30069 1
97 . 1 1 12 12 TYR HD2 H 1 7.18 0.02 . 2 . . . A 12 TYR HD2 . 30069 1
98 . 1 1 12 12 TYR HE1 H 1 6.74 0.02 . 2 . . . A 12 TYR HE1 . 30069 1
99 . 1 1 12 12 TYR HE2 H 1 6.74 0.02 . 2 . . . A 12 TYR HE2 . 30069 1
100 . 1 1 12 12 TYR CB C 13 41.1 0.2 . 1 . . . A 12 TYR CB . 30069 1
101 . 1 1 12 12 TYR N N 15 126.1 0.2 . 1 . . . A 12 TYR N . 30069 1
102 . 1 1 13 13 THR H H 1 9.01 0.02 . 1 . . . A 13 THR H . 30069 1
103 . 1 1 13 13 THR HA H 1 4.09 0.02 . 1 . . . A 13 THR HA . 30069 1
104 . 1 1 13 13 THR HB H 1 4.92 0.02 . 1 . . . A 13 THR HB . 30069 1
105 . 1 1 13 13 THR HG21 H 1 1.27 0.02 . 1 . . . A 13 THR HG21 . 30069 1
106 . 1 1 13 13 THR HG22 H 1 1.27 0.02 . 1 . . . A 13 THR HG22 . 30069 1
107 . 1 1 13 13 THR HG23 H 1 1.27 0.02 . 1 . . . A 13 THR HG23 . 30069 1
108 . 1 1 13 13 THR CA C 13 62.7 0.2 . 1 . . . A 13 THR CA . 30069 1
109 . 1 1 13 13 THR CB C 13 69.0 0.2 . 1 . . . A 13 THR CB . 30069 1
110 . 1 1 13 13 THR CG2 C 13 21.9 0.2 . 1 . . . A 13 THR CG2 . 30069 1
111 . 1 1 13 13 THR N N 15 120.1 0.2 . 1 . . . A 13 THR N . 30069 1
112 . 1 1 14 14 VAL H H 1 8.65 0.02 . 1 . . . A 14 VAL H . 30069 1
113 . 1 1 14 14 VAL HA H 1 4.96 0.02 . 1 . . . A 14 VAL HA . 30069 1
114 . 1 1 14 14 VAL HB H 1 2.44 0.02 . 1 . . . A 14 VAL HB . 30069 1
115 . 1 1 14 14 VAL HG11 H 1 0.85 0.02 . 2 . . . A 14 VAL HG11 . 30069 1
116 . 1 1 14 14 VAL HG12 H 1 0.85 0.02 . 2 . . . A 14 VAL HG12 . 30069 1
117 . 1 1 14 14 VAL HG13 H 1 0.85 0.02 . 2 . . . A 14 VAL HG13 . 30069 1
118 . 1 1 14 14 VAL HG21 H 1 0.72 0.02 . 2 . . . A 14 VAL HG21 . 30069 1
119 . 1 1 14 14 VAL HG22 H 1 0.72 0.02 . 2 . . . A 14 VAL HG22 . 30069 1
120 . 1 1 14 14 VAL HG23 H 1 0.72 0.02 . 2 . . . A 14 VAL HG23 . 30069 1
121 . 1 1 14 14 VAL CA C 13 48.8 0.2 . 1 . . . A 14 VAL CA . 30069 1
122 . 1 1 14 14 VAL CG1 C 13 22.2 0.2 . 2 . . . A 14 VAL CG1 . 30069 1
123 . 1 1 14 14 VAL CG2 C 13 19.5 0.2 . 2 . . . A 14 VAL CG2 . 30069 1
124 . 1 1 14 14 VAL N N 15 118.1 0.2 . 1 . . . A 14 VAL N . 30069 1
125 . 1 1 15 15 SER H H 1 8.85 0.02 . 1 . . . A 15 SER H . 30069 1
126 . 1 1 15 15 SER HA H 1 4.53 0.02 . 1 . . . A 15 SER HA . 30069 1
127 . 1 1 15 15 SER HB2 H 1 4.00 0.02 . 2 . . . A 15 SER HB2 . 30069 1
128 . 1 1 15 15 SER HB3 H 1 4.00 0.02 . 2 . . . A 15 SER HB3 . 30069 1
129 . 1 1 15 15 SER CA C 13 60.0 0.2 . 1 . . . A 15 SER CA . 30069 1
130 . 1 1 15 15 SER CB C 13 64.2 0.2 . 1 . . . A 15 SER CB . 30069 1
131 . 1 1 15 15 SER N N 15 113.4 0.2 . 1 . . . A 15 SER N . 30069 1
132 . 1 1 16 16 SER H H 1 7.31 0.02 . 1 . . . A 16 SER H . 30069 1
133 . 1 1 16 16 SER HA H 1 4.87 0.02 . 1 . . . A 16 SER HA . 30069 1
134 . 1 1 16 16 SER HB2 H 1 4.29 0.02 . 2 . . . A 16 SER HB2 . 30069 1
135 . 1 1 16 16 SER HB3 H 1 4.07 0.02 . 2 . . . A 16 SER HB3 . 30069 1
136 . 1 1 16 16 SER CA C 13 60.0 0.2 . 1 . . . A 16 SER CA . 30069 1
137 . 1 1 16 16 SER CB C 13 66.2 0.2 . 1 . . . A 16 SER CB . 30069 1
138 . 1 1 16 16 SER N N 15 111.0 0.2 . 1 . . . A 16 SER N . 30069 1
139 . 1 1 17 17 SER H H 1 9.40 0.02 . 1 . . . A 17 SER H . 30069 1
140 . 1 1 17 17 SER HA H 1 4.02 0.02 . 1 . . . A 17 SER HA . 30069 1
141 . 1 1 17 17 SER HB2 H 1 3.97 0.02 . 2 . . . A 17 SER HB2 . 30069 1
142 . 1 1 17 17 SER HB3 H 1 3.97 0.02 . 2 . . . A 17 SER HB3 . 30069 1
143 . 1 1 17 17 SER CA C 13 61.6 0.2 . 1 . . . A 17 SER CA . 30069 1
144 . 1 1 17 17 SER CB C 13 62.1 0.2 . 1 . . . A 17 SER CB . 30069 1
145 . 1 1 17 17 SER N N 15 116.7 0.2 . 1 . . . A 17 SER N . 30069 1
146 . 1 1 18 18 GLU H H 1 8.76 0.02 . 1 . . . A 18 GLU H . 30069 1
147 . 1 1 18 18 GLU HA H 1 4.12 0.02 . 1 . . . A 18 GLU HA . 30069 1
148 . 1 1 18 18 GLU HB2 H 1 2.16 0.02 . 2 . . . A 18 GLU HB2 . 30069 1
149 . 1 1 18 18 GLU HB3 H 1 2.00 0.02 . 2 . . . A 18 GLU HB3 . 30069 1
150 . 1 1 18 18 GLU HG2 H 1 2.42 0.02 . 2 . . . A 18 GLU HG2 . 30069 1
151 . 1 1 18 18 GLU HG3 H 1 2.16 0.02 . 2 . . . A 18 GLU HG3 . 30069 1
152 . 1 1 18 18 GLU CA C 13 60.0 0.02 . 1 . . . A 18 GLU CA . 30069 1
153 . 1 1 19 19 GLU H H 1 122.9 0.2 . 1 . . . A 19 GLU H . 30069 1
154 . 1 1 19 19 GLU HA H 1 8.02 0.02 . 1 . . . A 19 GLU HA . 30069 1
155 . 1 1 19 19 GLU HB2 H 1 2.14 0.02 . 2 . . . A 19 GLU HB2 . 30069 1
156 . 1 1 19 19 GLU HB3 H 1 2.14 0.02 . 2 . . . A 19 GLU HB3 . 30069 1
157 . 1 1 19 19 GLU HG2 H 1 2.52 0.02 . 2 . . . A 19 GLU HG2 . 30069 1
158 . 1 1 19 19 GLU HG3 H 1 2.32 0.02 . 2 . . . A 19 GLU HG3 . 30069 1
159 . 1 1 19 19 GLU CA C 13 59.2 0.2 . 1 . . . A 19 GLU CA . 30069 1
160 . 1 1 19 19 GLU CB C 13 28.7 0.2 . 1 . . . A 19 GLU CB . 30069 1
161 . 1 1 19 19 GLU N N 15 119.5 0.2 . 1 . . . A 19 GLU N . 30069 1
162 . 1 1 20 20 CYS H H 1 7.65 0.02 . 1 . . . A 20 CYS H . 30069 1
163 . 1 1 20 20 CYS HA H 1 4.71 0.02 . 1 . . . A 20 CYS HA . 30069 1
164 . 1 1 20 20 CYS HB2 H 1 3.06 0.02 . 2 . . . A 20 CYS HB2 . 30069 1
165 . 1 1 20 20 CYS HB3 H 1 3.17 0.02 . 2 . . . A 20 CYS HB3 . 30069 1
166 . 1 1 20 20 CYS CA C 13 56.0 0.2 . 1 . . . A 20 CYS CA . 30069 1
167 . 1 1 20 20 CYS CB C 13 33.8 0.2 . 1 . . . A 20 CYS CB . 30069 1
168 . 1 1 20 20 CYS N N 15 116.9 0.2 . 1 . . . A 20 CYS N . 30069 1
169 . 1 1 21 21 GLU H H 1 8.06 0.02 . 1 . . . A 21 GLU H . 30069 1
170 . 1 1 21 21 GLU HA H 1 4.11 0.02 . 1 . . . A 21 GLU HA . 30069 1
171 . 1 1 21 21 GLU HB2 H 1 2.19 0.02 . 2 . . . A 21 GLU HB2 . 30069 1
172 . 1 1 21 21 GLU HB3 H 1 2.19 0.02 . 2 . . . A 21 GLU HB3 . 30069 1
173 . 1 1 21 21 GLU HG2 H 1 2.51 0.02 . 2 . . . A 21 GLU HG2 . 30069 1
174 . 1 1 21 21 GLU HG3 H 1 2.44 0.02 . 2 . . . A 21 GLU HG3 . 30069 1
175 . 1 1 21 21 GLU CA C 13 59.6 0.2 . 1 . . . A 21 GLU CA . 30069 1
176 . 1 1 21 21 GLU N N 15 118.1 0.2 . 1 . . . A 21 GLU N . 30069 1
177 . 1 1 22 22 ARG H H 1 8.12 0.02 . 1 . . . A 22 ARG H . 30069 1
178 . 1 1 22 22 ARG HA H 1 3.96 0.02 . 1 . . . A 22 ARG HA . 30069 1
179 . 1 1 22 22 ARG HB2 H 1 1.90 0.02 . 2 . . . A 22 ARG HB2 . 30069 1
180 . 1 1 22 22 ARG HB3 H 1 1.90 0.02 . 2 . . . A 22 ARG HB3 . 30069 1
181 . 1 1 22 22 ARG HG2 H 1 1.61 0.02 . 2 . . . A 22 ARG HG2 . 30069 1
182 . 1 1 22 22 ARG HD2 H 1 3.20 0.02 . 2 . . . A 22 ARG HD2 . 30069 1
183 . 1 1 22 22 ARG HD3 H 1 3.20 0.02 . 2 . . . A 22 ARG HD3 . 30069 1
184 . 1 1 22 22 ARG HE H 1 7.53 0.02 . 1 . . . A 22 ARG HE . 30069 1
185 . 1 1 22 22 ARG CA C 13 60.0 0.02 . 1 . . . A 22 ARG CA . 30069 1
186 . 1 1 22 22 ARG CD C 13 43.3 0.2 . 1 . . . A 22 ARG CD . 30069 1
187 . 1 1 22 22 ARG N N 15 118.3 0.2 . 1 . . . A 22 ARG N . 30069 1
188 . 1 1 22 22 ARG NE N 15 84.2 0.2 . 1 . . . A 22 ARG NE . 30069 1
189 . 1 1 23 23 LEU H H 1 8.02 0.02 . 1 . . . A 23 LEU H . 30069 1
190 . 1 1 23 23 LEU HA H 1 4.08 0.02 . 1 . . . A 23 LEU HA . 30069 1
191 . 1 1 23 23 LEU HB2 H 1 1.99 0.02 . 2 . . . A 23 LEU HB2 . 30069 1
192 . 1 1 23 23 LEU HB3 H 1 1.61 0.02 . 2 . . . A 23 LEU HB3 . 30069 1
193 . 1 1 23 23 LEU HG H 1 1.30 0.02 . 1 . . . A 23 LEU HG . 30069 1
194 . 1 1 23 23 LEU HD11 H 1 0.65 0.02 . 2 . . . A 23 LEU HD11 . 30069 1
195 . 1 1 23 23 LEU HD12 H 1 0.65 0.02 . 2 . . . A 23 LEU HD12 . 30069 1
196 . 1 1 23 23 LEU HD13 H 1 0.65 0.02 . 2 . . . A 23 LEU HD13 . 30069 1
197 . 1 1 23 23 LEU HD21 H 1 0.39 0.02 . 2 . . . A 23 LEU HD21 . 30069 1
198 . 1 1 23 23 LEU HD22 H 1 0.39 0.02 . 2 . . . A 23 LEU HD22 . 30069 1
199 . 1 1 23 23 LEU HD23 H 1 0.39 0.02 . 2 . . . A 23 LEU HD23 . 30069 1
200 . 1 1 23 23 LEU CA C 13 59.4 0.2 . 1 . . . A 23 LEU CA . 30069 1
201 . 1 1 23 23 LEU CB C 13 41.9 0.2 . 1 . . . A 23 LEU CB . 30069 1
202 . 1 1 23 23 LEU CG C 13 26.9 0.2 . 1 . . . A 23 LEU CG . 30069 1
203 . 1 1 23 23 LEU CD1 C 13 23.0 0.2 . 2 . . . A 23 LEU CD1 . 30069 1
204 . 1 1 23 23 LEU CD2 C 13 25.4 0.2 . 2 . . . A 23 LEU CD2 . 30069 1
205 . 1 1 23 23 LEU N N 15 123.7 0.2 . 1 . . . A 23 LEU N . 30069 1
206 . 1 1 24 24 CYS H H 1 8.64 0.02 . 1 . . . A 24 CYS H . 30069 1
207 . 1 1 24 24 CYS HA H 1 3.84 0.02 . 1 . . . A 24 CYS HA . 30069 1
208 . 1 1 24 24 CYS HB2 H 1 3.23 0.02 . 2 . . . A 24 CYS HB2 . 30069 1
209 . 1 1 24 24 CYS HB3 H 1 3.63 0.02 . 2 . . . A 24 CYS HB3 . 30069 1
210 . 1 1 24 24 CYS CA C 13 60.7 0.2 . 1 . . . A 24 CYS CA . 30069 1
211 . 1 1 24 24 CYS CB C 13 42.5 0.2 . 1 . . . A 24 CYS CB . 30069 1
212 . 1 1 24 24 CYS N N 15 117.1 0.2 . 1 . . . A 24 CYS N . 30069 1
213 . 1 1 25 25 ARG H H 1 7.93 0.02 . 1 . . . A 25 ARG H . 30069 1
214 . 1 1 25 25 ARG HA H 1 4.22 0.02 . 1 . . . A 25 ARG HA . 30069 1
215 . 1 1 25 25 ARG HB2 H 1 1.95 0.02 . 2 . . . A 25 ARG HB2 . 30069 1
216 . 1 1 25 25 ARG HB3 H 1 1.95 0.02 . 2 . . . A 25 ARG HB3 . 30069 1
217 . 1 1 25 25 ARG HG2 H 1 1.86 0.02 . 2 . . . A 25 ARG HG2 . 30069 1
218 . 1 1 25 25 ARG HG3 H 1 1.72 0.02 . 2 . . . A 25 ARG HG3 . 30069 1
219 . 1 1 25 25 ARG HD2 H 1 3.24 0.02 . 2 . . . A 25 ARG HD2 . 30069 1
220 . 1 1 25 25 ARG HD3 H 1 3.24 0.02 . 2 . . . A 25 ARG HD3 . 30069 1
221 . 1 1 25 25 ARG HE H 1 7.42 0.02 . 1 . . . A 25 ARG HE . 30069 1
222 . 1 1 25 25 ARG CA C 13 59.0 0.2 . 1 . . . A 25 ARG CA . 30069 1
223 . 1 1 25 25 ARG CD C 13 43.3 0.2 . 1 . . . A 25 ARG CD . 30069 1
224 . 1 1 25 25 ARG N N 15 116.9 0.2 . 1 . . . A 25 ARG N . 30069 1
225 . 1 1 25 25 ARG NE N 15 84.6 0.2 . 1 . . . A 25 ARG NE . 30069 1
226 . 1 1 26 26 LYS H H 1 8.18 0.02 . 1 . . . A 26 LYS H . 30069 1
227 . 1 1 26 26 LYS HA H 1 4.07 0.02 . 1 . . . A 26 LYS HA . 30069 1
228 . 1 1 26 26 LYS HB2 H 1 2.04 0.02 . 2 . . . A 26 LYS HB2 . 30069 1
229 . 1 1 26 26 LYS HB3 H 1 2.04 0.02 . 2 . . . A 26 LYS HB3 . 30069 1
230 . 1 1 26 26 LYS HG2 H 1 1.57 0.02 . 2 . . . A 26 LYS HG2 . 30069 1
231 . 1 1 26 26 LYS HG3 H 1 1.44 0.02 . 2 . . . A 26 LYS HG3 . 30069 1
232 . 1 1 26 26 LYS CA C 13 58.2 0.2 . 1 . . . A 26 LYS CA . 30069 1
233 . 1 1 26 26 LYS CG C 13 24.9 0.2 . 1 . . . A 26 LYS CG . 30069 1
234 . 1 1 26 26 LYS N N 15 122.4 0.2 . 1 . . . A 26 LYS N . 30069 1
235 . 1 1 27 27 LEU H H 1 7.89 0.02 . 1 . . . A 27 LEU H . 30069 1
236 . 1 1 27 27 LEU HA H 1 4.32 0.02 . 1 . . . A 27 LEU HA . 30069 1
237 . 1 1 27 27 LEU HB2 H 1 1.71 0.02 . 2 . . . A 27 LEU HB2 . 30069 1
238 . 1 1 27 27 LEU HB3 H 1 1.71 0.02 . 2 . . . A 27 LEU HB3 . 30069 1
239 . 1 1 27 27 LEU HG H 1 1.75 0.02 . 1 . . . A 27 LEU HG . 30069 1
240 . 1 1 27 27 LEU HD11 H 1 0.87 0.02 . 2 . . . A 27 LEU HD11 . 30069 1
241 . 1 1 27 27 LEU HD12 H 1 0.87 0.02 . 2 . . . A 27 LEU HD12 . 30069 1
242 . 1 1 27 27 LEU HD13 H 1 0.87 0.02 . 2 . . . A 27 LEU HD13 . 30069 1
243 . 1 1 27 27 LEU HD21 H 1 0.77 0.02 . 2 . . . A 27 LEU HD21 . 30069 1
244 . 1 1 27 27 LEU HD22 H 1 0.77 0.02 . 2 . . . A 27 LEU HD22 . 30069 1
245 . 1 1 27 27 LEU HD23 H 1 0.77 0.02 . 2 . . . A 27 LEU HD23 . 30069 1
246 . 1 1 27 27 LEU CA C 13 54.9 0.2 . 1 . . . A 27 LEU CA . 30069 1
247 . 1 1 27 27 LEU CB C 13 42.0 0.2 . 1 . . . A 27 LEU CB . 30069 1
248 . 1 1 27 27 LEU CG C 13 27.3 0.2 . 1 . . . A 27 LEU CG . 30069 1
249 . 1 1 27 27 LEU CD1 C 13 22.2 0.2 . 2 . . . A 27 LEU CD1 . 30069 1
250 . 1 1 27 27 LEU CD2 C 13 25.7 0.2 . 2 . . . A 27 LEU CD2 . 30069 1
251 . 1 1 27 27 LEU N N 15 116.8 0.2 . 1 . . . A 27 LEU N . 30069 1
252 . 1 1 28 28 GLY H H 1 7.89 0.02 . 1 . . . A 28 GLY H . 30069 1
253 . 1 1 28 28 GLY HA2 H 1 4.05 0.02 . 2 . . . A 28 GLY HA2 . 30069 1
254 . 1 1 28 28 GLY HA3 H 1 3.88 0.02 . 2 . . . A 28 GLY HA3 . 30069 1
255 . 1 1 28 28 GLY CA C 13 46.3 0.2 . 1 . . . A 28 GLY CA . 30069 1
256 . 1 1 28 28 GLY N N 15 108.8 0.2 . 1 . . . A 28 GLY N . 30069 1
257 . 1 1 29 29 VAL H H 1 8.03 0.02 . 1 . . . A 29 VAL H . 30069 1
258 . 1 1 29 29 VAL HA H 1 4.41 0.02 . 1 . . . A 29 VAL HA . 30069 1
259 . 1 1 29 29 VAL HB H 1 2.06 0.02 . 1 . . . A 29 VAL HB . 30069 1
260 . 1 1 29 29 VAL HG11 H 1 1.04 0.02 . 2 . . . A 29 VAL HG11 . 30069 1
261 . 1 1 29 29 VAL HG12 H 1 1.04 0.02 . 2 . . . A 29 VAL HG12 . 30069 1
262 . 1 1 29 29 VAL HG13 H 1 1.04 0.02 . 2 . . . A 29 VAL HG13 . 30069 1
263 . 1 1 29 29 VAL HG21 H 1 0.88 0.02 . 2 . . . A 29 VAL HG21 . 30069 1
264 . 1 1 29 29 VAL HG22 H 1 0.88 0.02 . 2 . . . A 29 VAL HG22 . 30069 1
265 . 1 1 29 29 VAL HG23 H 1 0.88 0.02 . 2 . . . A 29 VAL HG23 . 30069 1
266 . 1 1 29 29 VAL CA C 13 61.0 0.2 . 1 . . . A 29 VAL CA . 30069 1
267 . 1 1 29 29 VAL CB C 13 33.9 0.2 . 1 . . . A 29 VAL CB . 30069 1
268 . 1 1 29 29 VAL CG1 C 13 23.1 0.2 . 2 . . . A 29 VAL CG1 . 30069 1
269 . 1 1 29 29 VAL CG2 C 13 21.2 0.2 . 2 . . . A 29 VAL CG2 . 30069 1
270 . 1 1 29 29 VAL N N 15 118.8 0.2 . 1 . . . A 29 VAL N . 30069 1
271 . 1 1 30 30 THR H H 1 8.27 0.02 . 1 . . . A 30 THR H . 30069 1
272 . 1 1 30 30 THR HB H 1 4.27 0.02 . 1 . . . A 30 THR HB . 30069 1
273 . 1 1 30 30 THR HG21 H 1 1.20 0.02 . 1 . . . A 30 THR HG21 . 30069 1
274 . 1 1 30 30 THR HG22 H 1 1.20 0.02 . 1 . . . A 30 THR HG22 . 30069 1
275 . 1 1 30 30 THR HG23 H 1 1.20 0.02 . 1 . . . A 30 THR HG23 . 30069 1
276 . 1 1 30 30 THR CA C 13 62.0 0.2 . 1 . . . A 30 THR CA . 30069 1
277 . 1 1 30 30 THR CB C 13 70.1 0.2 . 1 . . . A 30 THR CB . 30069 1
278 . 1 1 30 30 THR CG2 C 13 21.6 0.2 . 1 . . . A 30 THR CG2 . 30069 1
279 . 1 1 30 30 THR N N 15 114.9 0.2 . 1 . . . A 30 THR N . 30069 1
280 . 1 1 31 31 ASN H H 1 8.36 0.02 . 1 . . . A 31 ASN H . 30069 1
281 . 1 1 31 31 ASN HA H 1 4.77 0.02 . 1 . . . A 31 ASN HA . 30069 1
282 . 1 1 31 31 ASN HB2 H 1 2.93 0.02 . 2 . . . A 31 ASN HB2 . 30069 1
283 . 1 1 31 31 ASN HB3 H 1 2.82 0.02 . 2 . . . A 31 ASN HB3 . 30069 1
284 . 1 1 31 31 ASN HD21 H 1 7.66 0.02 . 2 . . . A 31 ASN HD21 . 30069 1
285 . 1 1 31 31 ASN HD22 H 1 6.95 0.02 . 2 . . . A 31 ASN HD22 . 30069 1
286 . 1 1 31 31 ASN CA C 13 53.0 0.2 . 1 . . . A 31 ASN CA . 30069 1
287 . 1 1 31 31 ASN CB C 13 37.3 0.2 . 1 . . . A 31 ASN CB . 30069 1
288 . 1 1 31 31 ASN N N 15 119.9 0.2 . 1 . . . A 31 ASN N . 30069 1
289 . 1 1 31 31 ASN ND2 N 15 112.2 0.2 . 1 . . . A 31 ASN ND2 . 30069 1
290 . 1 1 32 32 CYS H H 1 8.20 0.02 . 1 . . . A 32 CYS H . 30069 1
291 . 1 1 32 32 CYS HA H 1 4.98 0.02 . 1 . . . A 32 CYS HA . 30069 1
292 . 1 1 32 32 CYS HB2 H 1 2.83 0.02 . 2 . . . A 32 CYS HB2 . 30069 1
293 . 1 1 32 32 CYS HB3 H 1 3.17 0.02 . 2 . . . A 32 CYS HB3 . 30069 1
294 . 1 1 32 32 CYS CA C 13 57.6 0.2 . 1 . . . A 32 CYS CA . 30069 1
295 . 1 1 32 32 CYS CB C 13 42.6 0.2 . 1 . . . A 32 CYS CB . 30069 1
296 . 1 1 32 32 CYS N N 15 121.3 0.2 . 1 . . . A 32 CYS N . 30069 1
297 . 1 1 33 33 ARG H H 1 8.48 0.02 . 1 . . . A 33 ARG H . 30069 1
298 . 1 1 33 33 ARG HA H 1 4.68 0.02 . 1 . . . A 33 ARG HA . 30069 1
299 . 1 1 33 33 ARG HB2 H 1 1.90 0.02 . 2 . . . A 33 ARG HB2 . 30069 1
300 . 1 1 33 33 ARG HB3 H 1 1.90 0.02 . 2 . . . A 33 ARG HB3 . 30069 1
301 . 1 1 33 33 ARG HG2 H 1 1.71 0.02 . 2 . . . A 33 ARG HG2 . 30069 1
302 . 1 1 33 33 ARG HG3 H 1 1.65 0.02 . 2 . . . A 33 ARG HG3 . 30069 1
303 . 1 1 33 33 ARG HD2 H 1 3.28 0.02 . 2 . . . A 33 ARG HD2 . 30069 1
304 . 1 1 33 33 ARG HD3 H 1 3.28 0.02 . 2 . . . A 33 ARG HD3 . 30069 1
305 . 1 1 33 33 ARG HE H 1 7.27 0.02 . 1 . . . A 33 ARG HE . 30069 1
306 . 1 1 33 33 ARG CA C 13 55.5 0.2 . 1 . . . A 33 ARG CA . 30069 1
307 . 1 1 33 33 ARG CG C 13 29.2 0.2 . 1 . . . A 33 ARG CG . 30069 1
308 . 1 1 33 33 ARG CD C 13 43.3 0.2 . 1 . . . A 33 ARG CD . 30069 1
309 . 1 1 33 33 ARG N N 15 125.0 0.2 . 1 . . . A 33 ARG N . 30069 1
310 . 1 1 33 33 ARG NE N 15 84.5 0.02 . 1 . . . A 33 ARG NE . 30069 1
311 . 1 1 34 34 VAL H H 1 8.67 0.02 . 1 . . . A 34 VAL H . 30069 1
312 . 1 1 34 34 VAL HA H 1 5.33 0.02 . 1 . . . A 34 VAL HA . 30069 1
313 . 1 1 34 34 VAL HB H 1 2.19 0.02 . 1 . . . A 34 VAL HB . 30069 1
314 . 1 1 34 34 VAL HG11 H 1 0.96 0.02 . 2 . . . A 34 VAL HG11 . 30069 1
315 . 1 1 34 34 VAL HG12 H 1 0.96 0.02 . 2 . . . A 34 VAL HG12 . 30069 1
316 . 1 1 34 34 VAL HG13 H 1 0.96 0.02 . 2 . . . A 34 VAL HG13 . 30069 1
317 . 1 1 34 34 VAL HG21 H 1 0.96 0.02 . 2 . . . A 34 VAL HG21 . 30069 1
318 . 1 1 34 34 VAL HG22 H 1 0.96 0.02 . 2 . . . A 34 VAL HG22 . 30069 1
319 . 1 1 34 34 VAL HG23 H 1 0.96 0.02 . 2 . . . A 34 VAL HG23 . 30069 1
320 . 1 1 34 34 VAL CA C 13 59.0 0.2 . 1 . . . A 34 VAL CA . 30069 1
321 . 1 1 34 34 VAL CB C 13 35.5 0.2 . 1 . . . A 34 VAL CB . 30069 1
322 . 1 1 34 34 VAL CG1 C 13 21.3 0.2 . 2 . . . A 34 VAL CG1 . 30069 1
323 . 1 1 34 34 VAL CG2 C 13 19.9 0.2 . 2 . . . A 34 VAL CG2 . 30069 1
324 . 1 1 34 34 VAL N N 15 122.9 0.2 . 1 . . . A 34 VAL N . 30069 1
325 . 1 1 35 35 HIS H H 1 8.65 0.02 . 1 . . . A 35 HIS H . 30069 1
326 . 1 1 35 35 HIS HA H 1 4.98 0.02 . 1 . . . A 35 HIS HA . 30069 1
327 . 1 1 35 35 HIS HB2 H 1 3.27 0.02 . 2 . . . A 35 HIS HB2 . 30069 1
328 . 1 1 35 35 HIS HB3 H 1 3.27 0.02 . 2 . . . A 35 HIS HB3 . 30069 1
329 . 1 1 35 35 HIS CA C 13 54.9 0.2 . 1 . . . A 35 HIS CA . 30069 1
330 . 1 1 35 35 HIS CB C 13 30.4 0.2 . 1 . . . A 35 HIS CB . 30069 1
331 . 1 1 35 35 HIS N N 15 123.6 0.2 . 1 . . . A 35 HIS N . 30069 1
332 . 1 1 36 36 CYS H H 1 9.20 0.02 . 1 . . . A 36 CYS H . 30069 1
333 . 1 1 36 36 CYS HA H 1 5.12 0.02 . 1 . . . A 36 CYS HA . 30069 1
334 . 1 1 36 36 CYS HB2 H 1 2.95 0.02 . 2 . . . A 36 CYS HB2 . 30069 1
335 . 1 1 36 36 CYS HB3 H 1 3.18 0.02 . 2 . . . A 36 CYS HB3 . 30069 1
336 . 1 1 36 36 CYS CA C 13 55.5 0.2 . 1 . . . A 36 CYS CA . 30069 1
337 . 1 1 36 36 CYS CB C 13 45.3 0.2 . 1 . . . A 36 CYS CB . 30069 1
338 . 1 1 36 36 CYS N N 15 125.9 0.2 . 1 . . . A 36 CYS N . 30069 1
339 . 1 1 37 37 GLY H H 1 8.20 0.02 . 1 . . . A 37 GLY H . 30069 1
340 . 1 1 37 37 GLY HA2 H 1 3.81 0.02 . 2 . . . A 37 GLY HA2 . 30069 1
341 . 1 1 37 37 GLY HA3 H 1 3.81 0.02 . 2 . . . A 37 GLY HA3 . 30069 1
342 . 1 1 37 37 GLY CA C 13 46.1 0.2 . 1 . . . A 37 GLY CA . 30069 1
343 . 1 1 37 37 GLY N N 15 116.0 0.2 . 1 . . . A 37 GLY N . 30069 1
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