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 19205
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 19205 1
2 '2D 1H-13C HSQC aliphatic' . . . 19205 1
4 '3D HNCO' . . . 19205 1
11 '2D 1H-13C HSQC aromatic' . . . 19205 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 GLY HA2 H 1 3.848 0.000 . 2 . . . A 1 GLY HA2 . 19205 1
2 . 1 1 1 1 GLY HA3 H 1 3.769 0.000 . 2 . . . A 1 GLY HA3 . 19205 1
3 . 1 1 1 1 GLY C C 13 169.151 0.000 . 1 . . . A 1 GLY C . 19205 1
4 . 1 1 1 1 GLY CA C 13 43.182 0.020 . 1 . . . A 1 GLY CA . 19205 1
5 . 1 1 2 2 CYS H H 1 8.866 0.018 . 1 . . . A 2 CYS H . 19205 1
6 . 1 1 2 2 CYS HA H 1 4.873 0.002 . 1 . . . A 2 CYS HA . 19205 1
7 . 1 1 2 2 CYS HB2 H 1 2.934 0.000 . 1 . . . A 2 CYS HB2 . 19205 1
8 . 1 1 2 2 CYS HB3 H 1 3.165 0.000 . 1 . . . A 2 CYS HB3 . 19205 1
9 . 1 1 2 2 CYS CA C 13 53.145 0.000 . 1 . . . A 2 CYS CA . 19205 1
10 . 1 1 2 2 CYS CB C 13 41.921 0.000 . 1 . . . A 2 CYS CB . 19205 1
11 . 1 1 2 2 CYS N N 15 120.511 0.018 . 1 . . . A 2 CYS N . 19205 1
12 . 1 1 3 3 PRO HA H 1 4.298 0.002 . 1 . . . A 3 PRO HA . 19205 1
13 . 1 1 3 3 PRO HB2 H 1 2.100 0.000 . 2 . . . A 3 PRO HB2 . 19205 1
14 . 1 1 3 3 PRO HB3 H 1 1.634 0.000 . 2 . . . A 3 PRO HB3 . 19205 1
15 . 1 1 3 3 PRO HG2 H 1 1.773 0.000 . 1 . . . A 3 PRO HG2 . 19205 1
16 . 1 1 3 3 PRO HG3 H 1 1.927 0.000 . 1 . . . A 3 PRO HG3 . 19205 1
17 . 1 1 3 3 PRO HD2 H 1 3.969 0.000 . 2 . . . A 3 PRO HD2 . 19205 1
18 . 1 1 3 3 PRO HD3 H 1 3.642 0.000 . 2 . . . A 3 PRO HD3 . 19205 1
19 . 1 1 3 3 PRO C C 13 176.294 0.000 . 1 . . . A 3 PRO C . 19205 1
20 . 1 1 3 3 PRO CA C 13 63.774 0.072 . 1 . . . A 3 PRO CA . 19205 1
21 . 1 1 3 3 PRO CB C 13 31.891 0.050 . 1 . . . A 3 PRO CB . 19205 1
22 . 1 1 3 3 PRO CG C 13 27.252 0.004 . 1 . . . A 3 PRO CG . 19205 1
23 . 1 1 3 3 PRO CD C 13 51.374 0.036 . 1 . . . A 3 PRO CD . 19205 1
24 . 1 1 4 4 GLN H H 1 7.648 0.012 . 1 . . . A 4 GLN H . 19205 1
25 . 1 1 4 4 GLN HA H 1 3.894 0.008 . 1 . . . A 4 GLN HA . 19205 1
26 . 1 1 4 4 GLN HB2 H 1 1.811 0.000 . 1 . . . A 4 GLN HB2 . 19205 1
27 . 1 1 4 4 GLN HB3 H 1 1.767 0.000 . 1 . . . A 4 GLN HB3 . 19205 1
28 . 1 1 4 4 GLN HG2 H 1 2.045 0.000 . 1 . . . A 4 GLN HG2 . 19205 1
29 . 1 1 4 4 GLN HG3 H 1 2.110 0.000 . 1 . . . A 4 GLN HG3 . 19205 1
30 . 1 1 4 4 GLN HE21 H 1 7.292 0.000 . 2 . . . A 4 GLN HE21 . 19205 1
31 . 1 1 4 4 GLN HE22 H 1 6.987 0.000 . 2 . . . A 4 GLN HE22 . 19205 1
32 . 1 1 4 4 GLN C C 13 176.143 0.000 . 1 . . . A 4 GLN C . 19205 1
33 . 1 1 4 4 GLN CA C 13 56.173 0.030 . 1 . . . A 4 GLN CA . 19205 1
34 . 1 1 4 4 GLN CB C 13 29.568 0.097 . 1 . . . A 4 GLN CB . 19205 1
35 . 1 1 4 4 GLN CG C 13 34.600 0.054 . 1 . . . A 4 GLN CG . 19205 1
36 . 1 1 4 4 GLN N N 15 118.141 0.007 . 1 . . . A 4 GLN N . 19205 1
37 . 1 1 4 4 GLN NE2 N 15 112.500 0.000 . 1 . . . A 4 GLN NE2 . 19205 1
38 . 1 1 5 5 GLY H H 1 7.759 0.013 . 1 . . . A 5 GLY H . 19205 1
39 . 1 1 5 5 GLY HA2 H 1 3.928 0.003 . 2 . . . A 5 GLY HA2 . 19205 1
40 . 1 1 5 5 GLY HA3 H 1 3.742 0.007 . 2 . . . A 5 GLY HA3 . 19205 1
41 . 1 1 5 5 GLY C C 13 173.733 0.000 . 1 . . . A 5 GLY C . 19205 1
42 . 1 1 5 5 GLY CA C 13 45.257 0.029 . 1 . . . A 5 GLY CA . 19205 1
43 . 1 1 5 5 GLY N N 15 108.656 0.018 . 1 . . . A 5 GLY N . 19205 1
44 . 1 1 6 6 ARG H H 1 7.865 0.014 . 1 . . . A 6 ARG H . 19205 1
45 . 1 1 6 6 ARG HA H 1 4.389 0.005 . 1 . . . A 6 ARG HA . 19205 1
46 . 1 1 6 6 ARG HB2 H 1 1.860 0.000 . 2 . . . A 6 ARG HB2 . 19205 1
47 . 1 1 6 6 ARG HB3 H 1 1.668 0.000 . 2 . . . A 6 ARG HB3 . 19205 1
48 . 1 1 6 6 ARG HG2 H 1 1.534 0.000 . 1 . . . A 6 ARG HG2 . 19205 1
49 . 1 1 6 6 ARG HG3 H 1 1.534 0.000 . 1 . . . A 6 ARG HG3 . 19205 1
50 . 1 1 6 6 ARG HD2 H 1 3.089 0.000 . 2 . . . A 6 ARG HD2 . 19205 1
51 . 1 1 6 6 ARG HD3 H 1 3.014 0.000 . 2 . . . A 6 ARG HD3 . 19205 1
52 . 1 1 6 6 ARG C C 13 176.780 0.000 . 1 . . . A 6 ARG C . 19205 1
53 . 1 1 6 6 ARG CA C 13 55.538 0.037 . 1 . . . A 6 ARG CA . 19205 1
54 . 1 1 6 6 ARG CB C 13 31.543 0.014 . 1 . . . A 6 ARG CB . 19205 1
55 . 1 1 6 6 ARG CG C 13 26.869 0.010 . 1 . . . A 6 ARG CG . 19205 1
56 . 1 1 6 6 ARG CD C 13 43.267 0.000 . 1 . . . A 6 ARG CD . 19205 1
57 . 1 1 6 6 ARG N N 15 119.446 0.006 . 1 . . . A 6 ARG N . 19205 1
58 . 1 1 7 7 GLY H H 1 8.529 0.014 . 1 . . . A 7 GLY H . 19205 1
59 . 1 1 7 7 GLY HA2 H 1 3.802 0.000 . 1 . . . A 7 GLY HA2 . 19205 1
60 . 1 1 7 7 GLY HA3 H 1 3.802 0.000 . 1 . . . A 7 GLY HA3 . 19205 1
61 . 1 1 7 7 GLY C C 13 174.275 0.000 . 1 . . . A 7 GLY C . 19205 1
62 . 1 1 7 7 GLY CA C 13 46.020 0.007 . 1 . . . A 7 GLY CA . 19205 1
63 . 1 1 7 7 GLY N N 15 109.318 0.009 . 1 . . . A 7 GLY N . 19205 1
64 . 1 1 8 8 ASP H H 1 8.414 0.016 . 1 . . . A 8 ASP H . 19205 1
65 . 1 1 8 8 ASP HA H 1 4.555 0.002 . 1 . . . A 8 ASP HA . 19205 1
66 . 1 1 8 8 ASP HB2 H 1 2.598 0.000 . 1 . . . A 8 ASP HB2 . 19205 1
67 . 1 1 8 8 ASP HB3 H 1 2.598 0.000 . 1 . . . A 8 ASP HB3 . 19205 1
68 . 1 1 8 8 ASP C C 13 175.562 0.000 . 1 . . . A 8 ASP C . 19205 1
69 . 1 1 8 8 ASP CA C 13 53.748 0.017 . 1 . . . A 8 ASP CA . 19205 1
70 . 1 1 8 8 ASP CB C 13 40.059 0.012 . 1 . . . A 8 ASP CB . 19205 1
71 . 1 1 8 8 ASP N N 15 121.036 0.012 . 1 . . . A 8 ASP N . 19205 1
72 . 1 1 9 9 TRP H H 1 7.814 0.014 . 1 . . . A 9 TRP H . 19205 1
73 . 1 1 9 9 TRP HA H 1 4.493 0.001 . 1 . . . A 9 TRP HA . 19205 1
74 . 1 1 9 9 TRP HB2 H 1 3.216 0.009 . 1 . . . A 9 TRP HB2 . 19205 1
75 . 1 1 9 9 TRP HB3 H 1 3.216 0.009 . 1 . . . A 9 TRP HB3 . 19205 1
76 . 1 1 9 9 TRP HD1 H 1 7.280 0.000 . 1 . . . A 9 TRP HD1 . 19205 1
77 . 1 1 9 9 TRP HE1 H 1 10.074 0.000 . 1 . . . A 9 TRP HE1 . 19205 1
78 . 1 1 9 9 TRP HE3 H 1 7.570 0.000 . 1 . . . A 9 TRP HE3 . 19205 1
79 . 1 1 9 9 TRP HZ2 H 1 7.440 0.000 . 1 . . . A 9 TRP HZ2 . 19205 1
80 . 1 1 9 9 TRP HZ3 H 1 7.087 0.000 . 1 . . . A 9 TRP HZ3 . 19205 1
81 . 1 1 9 9 TRP HH2 H 1 7.180 0.000 . 1 . . . A 9 TRP HH2 . 19205 1
82 . 1 1 9 9 TRP C C 13 175.498 0.000 . 1 . . . A 9 TRP C . 19205 1
83 . 1 1 9 9 TRP CA C 13 57.094 0.003 . 1 . . . A 9 TRP CA . 19205 1
84 . 1 1 9 9 TRP CB C 13 29.809 0.016 . 1 . . . A 9 TRP CB . 19205 1
85 . 1 1 9 9 TRP CD1 C 13 124.900 0.000 . 1 . . . A 9 TRP CD1 . 19205 1
86 . 1 1 9 9 TRP CE3 C 13 118.900 0.000 . 1 . . . A 9 TRP CE3 . 19205 1
87 . 1 1 9 9 TRP CZ2 C 13 112.400 0.000 . 1 . . . A 9 TRP CZ2 . 19205 1
88 . 1 1 9 9 TRP CZ3 C 13 119.800 0.000 . 1 . . . A 9 TRP CZ3 . 19205 1
89 . 1 1 9 9 TRP CH2 C 13 122.500 0.000 . 1 . . . A 9 TRP CH2 . 19205 1
90 . 1 1 9 9 TRP N N 15 121.704 0.016 . 1 . . . A 9 TRP N . 19205 1
91 . 1 1 9 9 TRP NE1 N 15 129.180 0.000 . 1 . . . A 9 TRP NE1 . 19205 1
92 . 1 1 10 10 ALA H H 1 8.163 0.014 . 1 . . . A 10 ALA H . 19205 1
93 . 1 1 10 10 ALA HA H 1 4.413 0.000 . 1 . . . A 10 ALA HA . 19205 1
94 . 1 1 10 10 ALA HB1 H 1 1.222 0.000 . 1 . . . A 10 ALA HB1 . 19205 1
95 . 1 1 10 10 ALA HB2 H 1 1.222 0.000 . 1 . . . A 10 ALA HB2 . 19205 1
96 . 1 1 10 10 ALA HB3 H 1 1.222 0.000 . 1 . . . A 10 ALA HB3 . 19205 1
97 . 1 1 10 10 ALA CA C 13 50.270 0.025 . 1 . . . A 10 ALA CA . 19205 1
98 . 1 1 10 10 ALA CB C 13 18.115 0.052 . 1 . . . A 10 ALA CB . 19205 1
99 . 1 1 10 10 ALA N N 15 128.588 0.022 . 1 . . . A 10 ALA N . 19205 1
100 . 1 1 11 11 PRO HA H 1 4.331 0.002 . 1 . . . A 11 PRO HA . 19205 1
101 . 1 1 11 11 PRO HB2 H 1 1.646 0.000 . 1 . . . A 11 PRO HB2 . 19205 1
102 . 1 1 11 11 PRO HB3 H 1 2.043 0.000 . 1 . . . A 11 PRO HB3 . 19205 1
103 . 1 1 11 11 PRO HG2 H 1 1.710 0.000 . 1 . . . A 11 PRO HG2 . 19205 1
104 . 1 1 11 11 PRO HG3 H 1 1.710 0.000 . 1 . . . A 11 PRO HG3 . 19205 1
105 . 1 1 11 11 PRO HD2 H 1 3.564 0.008 . 2 . . . A 11 PRO HD2 . 19205 1
106 . 1 1 11 11 PRO HD3 H 1 3.416 0.007 . 2 . . . A 11 PRO HD3 . 19205 1
107 . 1 1 11 11 PRO C C 13 176.753 0.000 . 1 . . . A 11 PRO C . 19205 1
108 . 1 1 11 11 PRO CA C 13 62.996 0.044 . 1 . . . A 11 PRO CA . 19205 1
109 . 1 1 11 11 PRO CB C 13 32.445 0.046 . 1 . . . A 11 PRO CB . 19205 1
110 . 1 1 11 11 PRO CG C 13 27.237 0.000 . 1 . . . A 11 PRO CG . 19205 1
111 . 1 1 11 11 PRO CD C 13 50.321 0.054 . 1 . . . A 11 PRO CD . 19205 1
112 . 1 1 12 12 THR H H 1 9.006 0.013 . 1 . . . A 12 THR H . 19205 1
113 . 1 1 12 12 THR HA H 1 4.512 0.003 . 1 . . . A 12 THR HA . 19205 1
114 . 1 1 12 12 THR HB H 1 3.909 0.011 . 1 . . . A 12 THR HB . 19205 1
115 . 1 1 12 12 THR HG21 H 1 1.333 0.000 . 1 . . . A 12 THR HG21 . 19205 1
116 . 1 1 12 12 THR HG22 H 1 1.333 0.000 . 1 . . . A 12 THR HG22 . 19205 1
117 . 1 1 12 12 THR HG23 H 1 1.333 0.000 . 1 . . . A 12 THR HG23 . 19205 1
118 . 1 1 12 12 THR C C 13 173.572 0.000 . 1 . . . A 12 THR C . 19205 1
119 . 1 1 12 12 THR CA C 13 62.099 0.037 . 1 . . . A 12 THR CA . 19205 1
120 . 1 1 12 12 THR CB C 13 71.060 0.032 . 1 . . . A 12 THR CB . 19205 1
121 . 1 1 12 12 THR CG2 C 13 21.903 0.000 . 1 . . . A 12 THR CG2 . 19205 1
122 . 1 1 12 12 THR N N 15 119.798 0.009 . 1 . . . A 12 THR N . 19205 1
123 . 1 1 13 13 SER H H 1 8.805 0.015 . 1 . . . A 13 SER H . 19205 1
124 . 1 1 13 13 SER HA H 1 4.539 0.000 . 1 . . . A 13 SER HA . 19205 1
125 . 1 1 13 13 SER HB2 H 1 3.744 0.000 . 2 . . . A 13 SER HB2 . 19205 1
126 . 1 1 13 13 SER HB3 H 1 3.695 0.000 . 2 . . . A 13 SER HB3 . 19205 1
127 . 1 1 13 13 SER C C 13 172.953 0.000 . 1 . . . A 13 SER C . 19205 1
128 . 1 1 13 13 SER CA C 13 58.421 0.055 . 1 . . . A 13 SER CA . 19205 1
129 . 1 1 13 13 SER CB C 13 63.844 0.069 . 1 . . . A 13 SER CB . 19205 1
130 . 1 1 13 13 SER N N 15 123.494 0.017 . 1 . . . A 13 SER N . 19205 1
131 . 1 1 14 14 CYS H H 1 8.265 0.016 . 1 . . . A 14 CYS H . 19205 1
132 . 1 1 14 14 CYS HA H 1 4.940 0.000 . 1 . . . A 14 CYS HA . 19205 1
133 . 1 1 14 14 CYS HB2 H 1 3.216 0.009 . 1 . . . A 14 CYS HB2 . 19205 1
134 . 1 1 14 14 CYS HB3 H 1 3.083 0.010 . 1 . . . A 14 CYS HB3 . 19205 1
135 . 1 1 14 14 CYS C C 13 172.746 0.000 . 1 . . . A 14 CYS C . 19205 1
136 . 1 1 14 14 CYS CA C 13 53.806 0.022 . 1 . . . A 14 CYS CA . 19205 1
137 . 1 1 14 14 CYS CB C 13 47.605 0.038 . 1 . . . A 14 CYS CB . 19205 1
138 . 1 1 14 14 CYS N N 15 116.548 0.007 . 1 . . . A 14 CYS N . 19205 1
139 . 1 1 15 15 SER H H 1 9.497 0.017 . 1 . . . A 15 SER H . 19205 1
140 . 1 1 15 15 SER HA H 1 4.531 0.000 . 1 . . . A 15 SER HA . 19205 1
141 . 1 1 15 15 SER HB2 H 1 3.848 0.000 . 2 . . . A 15 SER HB2 . 19205 1
142 . 1 1 15 15 SER HB3 H 1 3.800 0.000 . 2 . . . A 15 SER HB3 . 19205 1
143 . 1 1 15 15 SER C C 13 173.205 0.000 . 1 . . . A 15 SER C . 19205 1
144 . 1 1 15 15 SER CA C 13 58.826 0.002 . 1 . . . A 15 SER CA . 19205 1
145 . 1 1 15 15 SER CB C 13 65.097 0.094 . 1 . . . A 15 SER CB . 19205 1
146 . 1 1 15 15 SER N N 15 113.958 0.013 . 1 . . . A 15 SER N . 19205 1
147 . 1 1 16 16 GLN H H 1 8.049 0.015 . 1 . . . A 16 GLN H . 19205 1
148 . 1 1 16 16 GLN HA H 1 4.744 0.002 . 1 . . . A 16 GLN HA . 19205 1
149 . 1 1 16 16 GLN HB2 H 1 2.006 0.028 . 1 . . . A 16 GLN HB2 . 19205 1
150 . 1 1 16 16 GLN HB3 H 1 2.237 0.028 . 1 . . . A 16 GLN HB3 . 19205 1
151 . 1 1 16 16 GLN HG2 H 1 2.196 0.008 . 1 . . . A 16 GLN HG2 . 19205 1
152 . 1 1 16 16 GLN HG3 H 1 2.196 0.008 . 1 . . . A 16 GLN HG3 . 19205 1
153 . 1 1 16 16 GLN HE21 H 1 7.658 0.000 . 2 . . . A 16 GLN HE21 . 19205 1
154 . 1 1 16 16 GLN HE22 H 1 6.730 0.000 . 2 . . . A 16 GLN HE22 . 19205 1
155 . 1 1 16 16 GLN C C 13 176.335 0.000 . 1 . . . A 16 GLN C . 19205 1
156 . 1 1 16 16 GLN CA C 13 53.941 0.028 . 1 . . . A 16 GLN CA . 19205 1
157 . 1 1 16 16 GLN CB C 13 31.323 0.001 . 1 . . . A 16 GLN CB . 19205 1
158 . 1 1 16 16 GLN CG C 13 31.897 0.019 . 1 . . . A 16 GLN CG . 19205 1
159 . 1 1 16 16 GLN N N 15 118.516 0.015 . 1 . . . A 16 GLN N . 19205 1
160 . 1 1 16 16 GLN NE2 N 15 112.800 0.000 . 1 . . . A 16 GLN NE2 . 19205 1
161 . 1 1 17 17 ASP H H 1 9.208 0.016 . 1 . . . A 17 ASP H . 19205 1
162 . 1 1 17 17 ASP HA H 1 4.109 0.000 . 1 . . . A 17 ASP HA . 19205 1
163 . 1 1 17 17 ASP HB2 H 1 2.671 0.000 . 1 . . . A 17 ASP HB2 . 19205 1
164 . 1 1 17 17 ASP HB3 H 1 2.738 0.000 . 1 . . . A 17 ASP HB3 . 19205 1
165 . 1 1 17 17 ASP C C 13 178.349 0.000 . 1 . . . A 17 ASP C . 19205 1
166 . 1 1 17 17 ASP CA C 13 58.947 0.022 . 1 . . . A 17 ASP CA . 19205 1
167 . 1 1 17 17 ASP CB C 13 39.523 0.002 . 1 . . . A 17 ASP CB . 19205 1
168 . 1 1 17 17 ASP N N 15 124.190 0.016 . 1 . . . A 17 ASP N . 19205 1
169 . 1 1 18 18 SER H H 1 8.371 0.015 . 1 . . . A 18 SER H . 19205 1
170 . 1 1 18 18 SER HA H 1 4.228 0.005 . 1 . . . A 18 SER HA . 19205 1
171 . 1 1 18 18 SER HB2 H 1 4.090 0.009 . 2 . . . A 18 SER HB2 . 19205 1
172 . 1 1 18 18 SER HB3 H 1 3.793 0.009 . 2 . . . A 18 SER HB3 . 19205 1
173 . 1 1 18 18 SER C C 13 175.037 0.000 . 1 . . . A 18 SER C . 19205 1
174 . 1 1 18 18 SER CA C 13 60.093 0.060 . 1 . . . A 18 SER CA . 19205 1
175 . 1 1 18 18 SER CB C 13 62.134 0.043 . 1 . . . A 18 SER CB . 19205 1
176 . 1 1 18 18 SER N N 15 112.259 0.003 . 1 . . . A 18 SER N . 19205 1
177 . 1 1 19 19 ASP H H 1 7.697 0.013 . 1 . . . A 19 ASP H . 19205 1
178 . 1 1 19 19 ASP HA H 1 4.591 0.004 . 1 . . . A 19 ASP HA . 19205 1
179 . 1 1 19 19 ASP HB2 H 1 2.974 0.000 . 1 . . . A 19 ASP HB2 . 19205 1
180 . 1 1 19 19 ASP HB3 H 1 2.974 0.000 . 1 . . . A 19 ASP HB3 . 19205 1
181 . 1 1 19 19 ASP C C 13 175.958 0.000 . 1 . . . A 19 ASP C . 19205 1
182 . 1 1 19 19 ASP CA C 13 55.885 0.036 . 1 . . . A 19 ASP CA . 19205 1
183 . 1 1 19 19 ASP CB C 13 42.022 0.015 . 1 . . . A 19 ASP CB . 19205 1
184 . 1 1 19 19 ASP N N 15 120.750 0.008 . 1 . . . A 19 ASP N . 19205 1
185 . 1 1 20 20 CYS H H 1 7.947 0.013 . 1 . . . A 20 CYS H . 19205 1
186 . 1 1 20 20 CYS HA H 1 4.977 0.000 . 1 . . . A 20 CYS HA . 19205 1
187 . 1 1 20 20 CYS HB2 H 1 2.719 0.000 . 1 . . . A 20 CYS HB2 . 19205 1
188 . 1 1 20 20 CYS HB3 H 1 3.169 0.000 . 1 . . . A 20 CYS HB3 . 19205 1
189 . 1 1 20 20 CYS C C 13 174.152 0.000 . 1 . . . A 20 CYS C . 19205 1
190 . 1 1 20 20 CYS CA C 13 51.981 0.030 . 1 . . . A 20 CYS CA . 19205 1
191 . 1 1 20 20 CYS CB C 13 39.974 0.011 . 1 . . . A 20 CYS CB . 19205 1
192 . 1 1 20 20 CYS N N 15 118.125 0.008 . 1 . . . A 20 CYS N . 19205 1
193 . 1 1 21 21 LEU H H 1 8.522 0.015 . 1 . . . A 21 LEU H . 19205 1
194 . 1 1 21 21 LEU HA H 1 4.167 0.006 . 1 . . . A 21 LEU HA . 19205 1
195 . 1 1 21 21 LEU HB2 H 1 1.570 0.000 . 1 . . . A 21 LEU HB2 . 19205 1
196 . 1 1 21 21 LEU HB3 H 1 1.470 0.000 . 1 . . . A 21 LEU HB3 . 19205 1
197 . 1 1 21 21 LEU HG H 1 1.730 0.000 . 1 . . . A 21 LEU HG . 19205 1
198 . 1 1 21 21 LEU HD11 H 1 0.879 0.024 . 2 . . . A 21 LEU HD11 . 19205 1
199 . 1 1 21 21 LEU HD12 H 1 0.879 0.024 . 2 . . . A 21 LEU HD12 . 19205 1
200 . 1 1 21 21 LEU HD13 H 1 0.879 0.024 . 2 . . . A 21 LEU HD13 . 19205 1
201 . 1 1 21 21 LEU HD21 H 1 0.863 0.024 . 2 . . . A 21 LEU HD21 . 19205 1
202 . 1 1 21 21 LEU HD22 H 1 0.863 0.024 . 2 . . . A 21 LEU HD22 . 19205 1
203 . 1 1 21 21 LEU HD23 H 1 0.863 0.024 . 2 . . . A 21 LEU HD23 . 19205 1
204 . 1 1 21 21 LEU C C 13 176.589 0.000 . 1 . . . A 21 LEU C . 19205 1
205 . 1 1 21 21 LEU CA C 13 54.886 0.039 . 1 . . . A 21 LEU CA . 19205 1
206 . 1 1 21 21 LEU CB C 13 42.923 0.013 . 1 . . . A 21 LEU CB . 19205 1
207 . 1 1 21 21 LEU CG C 13 26.824 0.039 . 1 . . . A 21 LEU CG . 19205 1
208 . 1 1 21 21 LEU CD1 C 13 25.465 0.030 . 1 . . . A 21 LEU CD1 . 19205 1
209 . 1 1 21 21 LEU CD2 C 13 22.782 0.003 . 1 . . . A 21 LEU CD2 . 19205 1
210 . 1 1 21 21 LEU N N 15 121.658 0.011 . 1 . . . A 21 LEU N . 19205 1
211 . 1 1 22 22 ALA H H 1 8.104 0.014 . 1 . . . A 22 ALA H . 19205 1
212 . 1 1 22 22 ALA HA H 1 4.072 0.005 . 1 . . . A 22 ALA HA . 19205 1
213 . 1 1 22 22 ALA HB1 H 1 1.349 0.020 . 1 . . . A 22 ALA HB1 . 19205 1
214 . 1 1 22 22 ALA HB2 H 1 1.349 0.020 . 1 . . . A 22 ALA HB2 . 19205 1
215 . 1 1 22 22 ALA HB3 H 1 1.349 0.020 . 1 . . . A 22 ALA HB3 . 19205 1
216 . 1 1 22 22 ALA C C 13 178.382 0.000 . 1 . . . A 22 ALA C . 19205 1
217 . 1 1 22 22 ALA CA C 13 53.965 0.033 . 1 . . . A 22 ALA CA . 19205 1
218 . 1 1 22 22 ALA CB C 13 17.944 0.070 . 1 . . . A 22 ALA CB . 19205 1
219 . 1 1 22 22 ALA N N 15 121.907 0.007 . 1 . . . A 22 ALA N . 19205 1
220 . 1 1 23 23 GLY H H 1 8.644 0.015 . 1 . . . A 23 GLY H . 19205 1
221 . 1 1 23 23 GLY HA2 H 1 4.429 0.003 . 2 . . . A 23 GLY HA2 . 19205 1
222 . 1 1 23 23 GLY HA3 H 1 3.533 0.004 . 2 . . . A 23 GLY HA3 . 19205 1
223 . 1 1 23 23 GLY C C 13 174.553 0.000 . 1 . . . A 23 GLY C . 19205 1
224 . 1 1 23 23 GLY CA C 13 44.621 0.021 . 1 . . . A 23 GLY CA . 19205 1
225 . 1 1 23 23 GLY N N 15 110.790 0.032 . 1 . . . A 23 GLY N . 19205 1
226 . 1 1 24 24 CYS H H 1 8.491 0.015 . 1 . . . A 24 CYS H . 19205 1
227 . 1 1 24 24 CYS HA H 1 4.850 0.000 . 1 . . . A 24 CYS HA . 19205 1
228 . 1 1 24 24 CYS HB2 H 1 3.581 0.000 . 1 . . . A 24 CYS HB2 . 19205 1
229 . 1 1 24 24 CYS HB3 H 1 3.061 0.017 . 1 . . . A 24 CYS HB3 . 19205 1
230 . 1 1 24 24 CYS C C 13 172.768 0.000 . 1 . . . A 24 CYS C . 19205 1
231 . 1 1 24 24 CYS CA C 13 54.902 0.000 . 1 . . . A 24 CYS CA . 19205 1
232 . 1 1 24 24 CYS CB C 13 46.168 0.022 . 1 . . . A 24 CYS CB . 19205 1
233 . 1 1 24 24 CYS N N 15 119.431 0.006 . 1 . . . A 24 CYS N . 19205 1
234 . 1 1 25 25 VAL H H 1 9.324 0.018 . 1 . . . A 25 VAL H . 19205 1
235 . 1 1 25 25 VAL HA H 1 4.367 0.005 . 1 . . . A 25 VAL HA . 19205 1
236 . 1 1 25 25 VAL HB H 1 2.105 0.000 . 1 . . . A 25 VAL HB . 19205 1
237 . 1 1 25 25 VAL HG11 H 1 0.771 0.000 . 2 . . . A 25 VAL HG11 . 19205 1
238 . 1 1 25 25 VAL HG12 H 1 0.771 0.000 . 2 . . . A 25 VAL HG12 . 19205 1
239 . 1 1 25 25 VAL HG13 H 1 0.771 0.000 . 2 . . . A 25 VAL HG13 . 19205 1
240 . 1 1 25 25 VAL HG21 H 1 0.726 0.000 . 2 . . . A 25 VAL HG21 . 19205 1
241 . 1 1 25 25 VAL HG22 H 1 0.726 0.000 . 2 . . . A 25 VAL HG22 . 19205 1
242 . 1 1 25 25 VAL HG23 H 1 0.726 0.000 . 2 . . . A 25 VAL HG23 . 19205 1
243 . 1 1 25 25 VAL C C 13 175.161 0.000 . 1 . . . A 25 VAL C . 19205 1
244 . 1 1 25 25 VAL CA C 13 59.327 0.039 . 1 . . . A 25 VAL CA . 19205 1
245 . 1 1 25 25 VAL CB C 13 35.035 0.013 . 1 . . . A 25 VAL CB . 19205 1
246 . 1 1 25 25 VAL CG1 C 13 21.585 0.001 . 1 . . . A 25 VAL CG1 . 19205 1
247 . 1 1 25 25 VAL CG2 C 13 18.605 0.000 . 1 . . . A 25 VAL CG2 . 19205 1
248 . 1 1 25 25 VAL N N 15 115.469 0.031 . 1 . . . A 25 VAL N . 19205 1
249 . 1 1 26 26 CYS H H 1 9.346 0.015 . 1 . . . A 26 CYS H . 19205 1
250 . 1 1 26 26 CYS HA H 1 4.810 0.001 . 1 . . . A 26 CYS HA . 19205 1
251 . 1 1 26 26 CYS HB2 H 1 2.411 0.000 . 1 . . . A 26 CYS HB2 . 19205 1
252 . 1 1 26 26 CYS HB3 H 1 2.826 0.000 . 1 . . . A 26 CYS HB3 . 19205 1
253 . 1 1 26 26 CYS C C 13 174.891 0.000 . 1 . . . A 26 CYS C . 19205 1
254 . 1 1 26 26 CYS CA C 13 55.199 0.017 . 1 . . . A 26 CYS CA . 19205 1
255 . 1 1 26 26 CYS CB C 13 38.260 0.012 . 1 . . . A 26 CYS CB . 19205 1
256 . 1 1 26 26 CYS N N 15 123.350 0.009 . 1 . . . A 26 CYS N . 19205 1
257 . 1 1 27 27 GLY H H 1 8.259 0.017 . 1 . . . A 27 GLY H . 19205 1
258 . 1 1 27 27 GLY HA2 H 1 4.350 0.000 . 1 . . . A 27 GLY HA2 . 19205 1
259 . 1 1 27 27 GLY HA3 H 1 4.129 0.000 . 1 . . . A 27 GLY HA3 . 19205 1
260 . 1 1 27 27 GLY CA C 13 45.458 0.020 . 1 . . . A 27 GLY CA . 19205 1
261 . 1 1 27 27 GLY N N 15 117.742 0.013 . 1 . . . A 27 GLY N . 19205 1
262 . 1 1 28 28 PRO HA H 1 4.370 0.006 . 1 . . . A 28 PRO HA . 19205 1
263 . 1 1 28 28 PRO HB2 H 1 2.330 0.000 . 2 . . . A 28 PRO HB2 . 19205 1
264 . 1 1 28 28 PRO HB3 H 1 1.976 0.000 . 2 . . . A 28 PRO HB3 . 19205 1
265 . 1 1 28 28 PRO HG2 H 1 2.004 0.000 . 1 . . . A 28 PRO HG2 . 19205 1
266 . 1 1 28 28 PRO HG3 H 1 2.052 0.000 . 1 . . . A 28 PRO HG3 . 19205 1
267 . 1 1 28 28 PRO HD2 H 1 3.770 0.000 . 2 . . . A 28 PRO HD2 . 19205 1
268 . 1 1 28 28 PRO HD3 H 1 3.677 0.000 . 2 . . . A 28 PRO HD3 . 19205 1
269 . 1 1 28 28 PRO C C 13 176.720 0.000 . 1 . . . A 28 PRO C . 19205 1
270 . 1 1 28 28 PRO CA C 13 64.486 0.059 . 1 . . . A 28 PRO CA . 19205 1
271 . 1 1 28 28 PRO CB C 13 31.553 0.061 . 1 . . . A 28 PRO CB . 19205 1
272 . 1 1 28 28 PRO CG C 13 27.161 0.020 . 1 . . . A 28 PRO CG . 19205 1
273 . 1 1 28 28 PRO CD C 13 49.907 0.051 . 1 . . . A 28 PRO CD . 19205 1
274 . 1 1 29 29 ASN H H 1 8.061 0.013 . 1 . . . A 29 ASN H . 19205 1
275 . 1 1 29 29 ASN HA H 1 4.649 0.005 . 1 . . . A 29 ASN HA . 19205 1
276 . 1 1 29 29 ASN HB2 H 1 3.131 0.013 . 2 . . . A 29 ASN HB2 . 19205 1
277 . 1 1 29 29 ASN HB3 H 1 2.970 0.018 . 2 . . . A 29 ASN HB3 . 19205 1
278 . 1 1 29 29 ASN HD21 H 1 7.729 0.000 . 1 . . . A 29 ASN HD21 . 19205 1
279 . 1 1 29 29 ASN HD22 H 1 7.035 0.000 . 1 . . . A 29 ASN HD22 . 19205 1
280 . 1 1 29 29 ASN C C 13 175.490 0.000 . 1 . . . A 29 ASN C . 19205 1
281 . 1 1 29 29 ASN CA C 13 52.335 0.001 . 1 . . . A 29 ASN CA . 19205 1
282 . 1 1 29 29 ASN CB C 13 37.566 0.030 . 1 . . . A 29 ASN CB . 19205 1
283 . 1 1 29 29 ASN N N 15 114.300 0.007 . 1 . . . A 29 ASN N . 19205 1
284 . 1 1 29 29 ASN ND2 N 15 111.525 0.000 . 1 . . . A 29 ASN ND2 . 19205 1
285 . 1 1 30 30 GLY H H 1 8.294 0.015 . 1 . . . A 30 GLY H . 19205 1
286 . 1 1 30 30 GLY HA2 H 1 3.796 0.000 . 2 . . . A 30 GLY HA2 . 19205 1
287 . 1 1 30 30 GLY HA3 H 1 3.572 0.008 . 2 . . . A 30 GLY HA3 . 19205 1
288 . 1 1 30 30 GLY C C 13 173.758 0.000 . 1 . . . A 30 GLY C . 19205 1
289 . 1 1 30 30 GLY CA C 13 46.312 0.022 . 1 . . . A 30 GLY CA . 19205 1
290 . 1 1 30 30 GLY N N 15 107.086 0.010 . 1 . . . A 30 GLY N . 19205 1
291 . 1 1 31 31 PHE H H 1 7.167 0.013 . 1 . . . A 31 PHE H . 19205 1
292 . 1 1 31 31 PHE HA H 1 5.350 0.002 . 1 . . . A 31 PHE HA . 19205 1
293 . 1 1 31 31 PHE HB2 H 1 3.038 0.000 . 1 . . . A 31 PHE HB2 . 19205 1
294 . 1 1 31 31 PHE HB3 H 1 2.612 0.000 . 1 . . . A 31 PHE HB3 . 19205 1
295 . 1 1 31 31 PHE HD1 H 1 6.890 0.000 . 1 . . . A 31 PHE HD1 . 19205 1
296 . 1 1 31 31 PHE HD2 H 1 6.890 0.000 . 1 . . . A 31 PHE HD2 . 19205 1
297 . 1 1 31 31 PHE HE1 H 1 7.228 0.000 . 1 . . . A 31 PHE HE1 . 19205 1
298 . 1 1 31 31 PHE HE2 H 1 7.228 0.000 . 1 . . . A 31 PHE HE2 . 19205 1
299 . 1 1 31 31 PHE HZ H 1 7.299 0.000 . 1 . . . A 31 PHE HZ . 19205 1
300 . 1 1 31 31 PHE C C 13 176.773 0.000 . 1 . . . A 31 PHE C . 19205 1
301 . 1 1 31 31 PHE CA C 13 56.410 0.020 . 1 . . . A 31 PHE CA . 19205 1
302 . 1 1 31 31 PHE CB C 13 42.474 0.013 . 1 . . . A 31 PHE CB . 19205 1
303 . 1 1 31 31 PHE CD1 C 13 130.000 0.000 . 1 . . . A 31 PHE CD1 . 19205 1
304 . 1 1 31 31 PHE CD2 C 13 130.000 0.000 . 1 . . . A 31 PHE CD2 . 19205 1
305 . 1 1 31 31 PHE CE1 C 13 128.900 0.000 . 1 . . . A 31 PHE CE1 . 19205 1
306 . 1 1 31 31 PHE CE2 C 13 127.600 0.000 . 1 . . . A 31 PHE CE2 . 19205 1
307 . 1 1 31 31 PHE CZ C 13 128.583 0.000 . 1 . . . A 31 PHE CZ . 19205 1
308 . 1 1 31 31 PHE N N 15 115.129 0.015 . 1 . . . A 31 PHE N . 19205 1
309 . 1 1 32 32 CYS H H 1 8.708 0.017 . 1 . . . A 32 CYS H . 19205 1
310 . 1 1 32 32 CYS HA H 1 5.099 0.000 . 1 . . . A 32 CYS HA . 19205 1
311 . 1 1 32 32 CYS HB2 H 1 2.853 0.000 . 1 . . . A 32 CYS HB2 . 19205 1
312 . 1 1 32 32 CYS HB3 H 1 2.853 0.000 . 1 . . . A 32 CYS HB3 . 19205 1
313 . 1 1 32 32 CYS C C 13 175.875 0.000 . 1 . . . A 32 CYS C . 19205 1
314 . 1 1 32 32 CYS CA C 13 55.430 0.069 . 1 . . . A 32 CYS CA . 19205 1
315 . 1 1 32 32 CYS CB C 13 42.087 0.008 . 1 . . . A 32 CYS CB . 19205 1
316 . 1 1 32 32 CYS N N 15 123.123 0.007 . 1 . . . A 32 CYS N . 19205 1
317 . 1 1 33 33 GLY H H 1 9.172 0.017 . 1 . . . A 33 GLY H . 19205 1
318 . 1 1 33 33 GLY HA2 H 1 3.999 0.000 . 2 . . . A 33 GLY HA2 . 19205 1
319 . 1 1 33 33 GLY HA3 H 1 3.823 0.000 . 2 . . . A 33 GLY HA3 . 19205 1
320 . 1 1 33 33 GLY CA C 13 47.893 0.004 . 1 . . . A 33 GLY CA . 19205 1
321 . 1 1 33 33 GLY N N 15 117.147 0.013 . 1 . . . A 33 GLY N . 19205 1
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