Content for NMR-STAR saveframe, "chem_shift_list_1"
save_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 6905
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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 1 $sample_1 isotropic 6905 1
2 3D_HNCACB 1 $sample_1 isotropic 6905 1
3 3D_CBCA(CO)NH 1 $sample_1 isotropic 6905 1
4 3D_HNCO 1 $sample_1 isotropic 6905 1
5 3D_H(CA)CO(CA)NH 1 $sample_1 isotropic 6905 1
6 3D_HNHA 1 $sample_1 isotropic 6905 1
stop_
loop_
_Systematic_chem_shift_offset.Type
_Systematic_chem_shift_offset.Atom_type
_Systematic_chem_shift_offset.Atom_isotope_number
_Systematic_chem_shift_offset.Val
_Systematic_chem_shift_offset.Val_err
_Systematic_chem_shift_offset.Entry_ID
_Systematic_chem_shift_offset.Assigned_chem_shift_list_ID
'water saturation' H 1 4.821 0.01 6905 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 . . 6905 1
2 $software_2 . . 6905 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 2 2 LEU H H 1 8.83 0.015 . 1 . . . . 2 LEU H . 6905 1
2 . 1 1 2 2 LEU HA H 1 4.56 0.05 . 1 . . . . 2 LEU HA . 6905 1
3 . 1 1 2 2 LEU C C 13 175.4 0.08 . 1 . . . . 2 LEU C . 6905 1
4 . 1 1 2 2 LEU CA C 13 53.6 0.31 . 1 . . . . 2 LEU CA . 6905 1
5 . 1 1 2 2 LEU CB C 13 42.9 0.31 . 1 . . . . 2 LEU CB . 6905 1
6 . 1 1 2 2 LEU N N 15 122.9 0.14 . 1 . . . . 2 LEU N . 6905 1
7 . 1 1 3 3 LYS H H 1 8.31 0.015 . 1 . . . . 3 LYS H . 6905 1
8 . 1 1 3 3 LYS HA H 1 4.43 0.05 . 1 . . . . 3 LYS HA . 6905 1
9 . 1 1 3 3 LYS C C 13 175.8 0.08 . 1 . . . . 3 LYS C . 6905 1
10 . 1 1 3 3 LYS CA C 13 54.5 0.31 . 1 . . . . 3 LYS CA . 6905 1
11 . 1 1 3 3 LYS CB C 13 33 0.31 . 1 . . . . 3 LYS CB . 6905 1
12 . 1 1 3 3 LYS N N 15 124.2 0.14 . 1 . . . . 3 LYS N . 6905 1
13 . 1 1 4 4 CYS H H 1 8.22 0.015 . 1 . . . . 4 CYS H . 6905 1
14 . 1 1 4 4 CYS HA H 1 4.34 0.05 . 1 . . . . 4 CYS HA . 6905 1
15 . 1 1 4 4 CYS C C 13 176.5 0.08 . 1 . . . . 4 CYS C . 6905 1
16 . 1 1 4 4 CYS CA C 13 61.6 0.31 . 1 . . . . 4 CYS CA . 6905 1
17 . 1 1 4 4 CYS CB C 13 29.9 0.31 . 1 . . . . 4 CYS CB . 6905 1
18 . 1 1 4 4 CYS N N 15 126.8 0.14 . 1 . . . . 4 CYS N . 6905 1
19 . 1 1 5 5 LYS C C 13 175.8 0.08 . 1 . . . . 5 LYS C . 6905 1
20 . 1 1 5 5 LYS CA C 13 53.9 0.31 . 1 . . . . 5 LYS CA . 6905 1
21 . 1 1 5 5 LYS CB C 13 29.7 0.31 . 1 . . . . 5 LYS CB . 6905 1
22 . 1 1 6 6 TRP H H 1 9.05 0.015 . 1 . . . . 6 TRP H . 6905 1
23 . 1 1 6 6 TRP HA H 1 4.04 0.05 . 1 . . . . 6 TRP HA . 6905 1
24 . 1 1 6 6 TRP C C 13 175.8 0.08 . 1 . . . . 6 TRP C . 6905 1
25 . 1 1 6 6 TRP CA C 13 57.7 0.31 . 1 . . . . 6 TRP CA . 6905 1
26 . 1 1 6 6 TRP CB C 13 28.8 0.31 . 1 . . . . 6 TRP CB . 6905 1
27 . 1 1 6 6 TRP N N 15 128.3 0.14 . 1 . . . . 6 TRP N . 6905 1
28 . 1 1 7 7 LYS H H 1 7.38 0.015 . 1 . . . . 7 LYS H . 6905 1
29 . 1 1 7 7 LYS C C 13 176.4 0.08 . 1 . . . . 7 LYS C . 6905 1
30 . 1 1 7 7 LYS CA C 13 58.5 0.31 . 1 . . . . 7 LYS CA . 6905 1
31 . 1 1 7 7 LYS CB C 13 32.6 0.31 . 1 . . . . 7 LYS CB . 6905 1
32 . 1 1 7 7 LYS N N 15 128.7 0.14 . 1 . . . . 7 LYS N . 6905 1
33 . 1 1 8 8 GLU H H 1 8.79 0.015 . 1 . . . . 8 GLU H . 6905 1
34 . 1 1 8 8 GLU HA H 1 3.91 0.05 . 1 . . . . 8 GLU HA . 6905 1
35 . 1 1 8 8 GLU C C 13 175.2 0.08 . 1 . . . . 8 GLU C . 6905 1
36 . 1 1 8 8 GLU CA C 13 57.3 0.31 . 1 . . . . 8 GLU CA . 6905 1
37 . 1 1 8 8 GLU CB C 13 27.7 0.31 . 1 . . . . 8 GLU CB . 6905 1
38 . 1 1 8 8 GLU N N 15 118.6 0.14 . 1 . . . . 8 GLU N . 6905 1
39 . 1 1 9 9 CYS H H 1 8.26 0.015 . 1 . . . . 9 CYS H . 6905 1
40 . 1 1 9 9 CYS HA H 1 4.86 0.05 . 1 . . . . 9 CYS HA . 6905 1
41 . 1 1 9 9 CYS C C 13 176.5 0.08 . 1 . . . . 9 CYS C . 6905 1
42 . 1 1 9 9 CYS CA C 13 57.3 0.31 . 1 . . . . 9 CYS CA . 6905 1
43 . 1 1 9 9 CYS CB C 13 31.5 0.31 . 1 . . . . 9 CYS CB . 6905 1
44 . 1 1 9 9 CYS N N 15 124.7 0.14 . 1 . . . . 9 CYS N . 6905 1
45 . 1 1 10 10 PRO C C 13 177.4 0.08 . 1 . . . . 10 PRO C . 6905 1
46 . 1 1 10 10 PRO CA C 13 63.2 0.31 . 1 . . . . 10 PRO CA . 6905 1
47 . 1 1 10 10 PRO CB C 13 32.5 0.31 . 1 . . . . 10 PRO CB . 6905 1
48 . 1 1 11 11 GLU H H 1 8.92 0.015 . 1 . . . . 11 GLU H . 6905 1
49 . 1 1 11 11 GLU HA H 1 4.29 0.05 . 1 . . . . 11 GLU HA . 6905 1
50 . 1 1 11 11 GLU C C 13 176.7 0.08 . 1 . . . . 11 GLU C . 6905 1
51 . 1 1 11 11 GLU CA C 13 57.9 0.31 . 1 . . . . 11 GLU CA . 6905 1
52 . 1 1 11 11 GLU CB C 13 30.7 0.31 . 1 . . . . 11 GLU CB . 6905 1
53 . 1 1 11 11 GLU N N 15 123.7 0.14 . 1 . . . . 11 GLU N . 6905 1
54 . 1 1 12 12 SER H H 1 8.64 0.015 . 1 . . . . 12 SER H . 6905 1
55 . 1 1 12 12 SER HA H 1 5.11 0.05 . 1 . . . . 12 SER HA . 6905 1
56 . 1 1 12 12 SER C C 13 173.2 0.08 . 1 . . . . 12 SER C . 6905 1
57 . 1 1 12 12 SER CA C 13 57.9 0.31 . 1 . . . . 12 SER CA . 6905 1
58 . 1 1 12 12 SER CB C 13 65.6 0.31 . 1 . . . . 12 SER CB . 6905 1
59 . 1 1 12 12 SER N N 15 118.2 0.14 . 1 . . . . 12 SER N . 6905 1
60 . 1 1 13 13 CYS H H 1 9.05 0.015 . 1 . . . . 13 CYS H . 6905 1
61 . 1 1 13 13 CYS HA H 1 4.92 0.05 . 1 . . . . 13 CYS HA . 6905 1
62 . 1 1 13 13 CYS C C 13 174.8 0.08 . 1 . . . . 13 CYS C . 6905 1
63 . 1 1 13 13 CYS CA C 13 57.7 0.31 . 1 . . . . 13 CYS CA . 6905 1
64 . 1 1 13 13 CYS CB C 13 32.9 0.31 . 1 . . . . 13 CYS CB . 6905 1
65 . 1 1 13 13 CYS N N 15 119.9 0.14 . 1 . . . . 13 CYS N . 6905 1
66 . 1 1 14 14 SER H H 1 9.46 0.015 . 1 . . . . 14 SER H . 6905 1
67 . 1 1 14 14 SER HA H 1 4.65 0.05 . 1 . . . . 14 SER HA . 6905 1
68 . 1 1 14 14 SER C C 13 173.8 0.08 . 1 . . . . 14 SER C . 6905 1
69 . 1 1 14 14 SER CA C 13 59.6 0.31 . 1 . . . . 14 SER CA . 6905 1
70 . 1 1 14 14 SER CB C 13 64 0.31 . 1 . . . . 14 SER CB . 6905 1
71 . 1 1 14 14 SER N N 15 115.8 0.14 . 1 . . . . 14 SER N . 6905 1
72 . 1 1 15 15 SER H H 1 7.53 0.015 . 1 . . . . 15 SER H . 6905 1
73 . 1 1 15 15 SER HA H 1 4.72 0.05 . 1 . . . . 15 SER HA . 6905 1
74 . 1 1 15 15 SER C C 13 174.1 0.08 . 1 . . . . 15 SER C . 6905 1
75 . 1 1 15 15 SER CA C 13 56.5 0.31 . 1 . . . . 15 SER CA . 6905 1
76 . 1 1 15 15 SER CB C 13 66.4 0.31 . 1 . . . . 15 SER CB . 6905 1
77 . 1 1 15 15 SER N N 15 111.4 0.14 . 1 . . . . 15 SER N . 6905 1
78 . 1 1 16 16 LEU H H 1 9.16 0.015 . 1 . . . . 16 LEU H . 6905 1
79 . 1 1 16 16 LEU C C 13 178.7 0.08 . 1 . . . . 16 LEU C . 6905 1
80 . 1 1 16 16 LEU CA C 13 58 0.31 . 1 . . . . 16 LEU CA . 6905 1
81 . 1 1 16 16 LEU CB C 13 41.3 0.31 . 1 . . . . 16 LEU CB . 6905 1
82 . 1 1 16 16 LEU N N 15 124 0.14 . 1 . . . . 16 LEU N . 6905 1
83 . 1 1 17 17 PHE H H 1 8.33 0.015 . 1 . . . . 17 PHE H . 6905 1
84 . 1 1 17 17 PHE HA H 1 4.33 0.05 . 1 . . . . 17 PHE HA . 6905 1
85 . 1 1 17 17 PHE C C 13 178 0.08 . 1 . . . . 17 PHE C . 6905 1
86 . 1 1 17 17 PHE CA C 13 60.5 0.31 . 1 . . . . 17 PHE CA . 6905 1
87 . 1 1 17 17 PHE CB C 13 38.8 0.31 . 1 . . . . 17 PHE CB . 6905 1
88 . 1 1 17 17 PHE N N 15 119.8 0.14 . 1 . . . . 17 PHE N . 6905 1
89 . 1 1 18 18 ASP H H 1 8.1 0.015 . 1 . . . . 18 ASP H . 6905 1
90 . 1 1 18 18 ASP HA H 1 4.36 0.05 . 1 . . . . 18 ASP HA . 6905 1
91 . 1 1 18 18 ASP C C 13 178.8 0.08 . 1 . . . . 18 ASP C . 6905 1
92 . 1 1 18 18 ASP CA C 13 57.1 0.31 . 1 . . . . 18 ASP CA . 6905 1
93 . 1 1 18 18 ASP CB C 13 41 0.31 . 1 . . . . 18 ASP CB . 6905 1
94 . 1 1 18 18 ASP N N 15 119.8 0.14 . 1 . . . . 18 ASP N . 6905 1
95 . 1 1 19 19 LEU H H 1 8.34 0.015 . 1 . . . . 19 LEU H . 6905 1
96 . 1 1 19 19 LEU HA H 1 4.87 0.05 . 1 . . . . 19 LEU HA . 6905 1
97 . 1 1 19 19 LEU C C 13 178.1 0.08 . 1 . . . . 19 LEU C . 6905 1
98 . 1 1 19 19 LEU CA C 13 58.1 0.31 . 1 . . . . 19 LEU CA . 6905 1
99 . 1 1 19 19 LEU CB C 13 42.1 0.31 . 1 . . . . 19 LEU CB . 6905 1
100 . 1 1 19 19 LEU N N 15 123.5 0.14 . 1 . . . . 19 LEU N . 6905 1
101 . 1 1 20 20 GLN H H 1 8.41 0.015 . 1 . . . . 20 GLN H . 6905 1
102 . 1 1 20 20 GLN HA H 1 3.82 0.05 . 1 . . . . 20 GLN HA . 6905 1
103 . 1 1 20 20 GLN C C 13 178.1 0.08 . 1 . . . . 20 GLN C . 6905 1
104 . 1 1 20 20 GLN CA C 13 59.6 0.31 . 1 . . . . 20 GLN CA . 6905 1
105 . 1 1 20 20 GLN CB C 13 28.1 0.31 . 1 . . . . 20 GLN CB . 6905 1
106 . 1 1 20 20 GLN N N 15 119.2 0.14 . 1 . . . . 20 GLN N . 6905 1
107 . 1 1 21 21 ARG H H 1 7.87 0.015 . 1 . . . . 21 ARG H . 6905 1
108 . 1 1 21 21 ARG HA H 1 3.84 0.05 . 1 . . . . 21 ARG HA . 6905 1
109 . 1 1 21 21 ARG C C 13 178.5 0.08 . 1 . . . . 21 ARG C . 6905 1
110 . 1 1 21 21 ARG CA C 13 59.1 0.31 . 1 . . . . 21 ARG CA . 6905 1
111 . 1 1 21 21 ARG CB C 13 29.5 0.31 . 1 . . . . 21 ARG CB . 6905 1
112 . 1 1 21 21 ARG N N 15 117.8 0.14 . 1 . . . . 21 ARG N . 6905 1
113 . 1 1 22 22 HIS H H 1 8.28 0.015 . 1 . . . . 22 HIS H . 6905 1
114 . 1 1 22 22 HIS HA H 1 4.36 0.05 . 1 . . . . 22 HIS HA . 6905 1
115 . 1 1 22 22 HIS C C 13 176.8 0.08 . 1 . . . . 22 HIS C . 6905 1
116 . 1 1 22 22 HIS CA C 13 58.4 0.31 . 1 . . . . 22 HIS CA . 6905 1
117 . 1 1 22 22 HIS CB C 13 28.3 0.31 . 1 . . . . 22 HIS CB . 6905 1
118 . 1 1 22 22 HIS N N 15 119.8 0.14 . 1 . . . . 22 HIS N . 6905 1
119 . 1 1 23 23 LEU H H 1 8.71 0.015 . 1 . . . . 23 LEU H . 6905 1
120 . 1 1 23 23 LEU HA H 1 3.48 0.05 . 1 . . . . 23 LEU HA . 6905 1
121 . 1 1 23 23 LEU C C 13 178.7 0.08 . 1 . . . . 23 LEU C . 6905 1
122 . 1 1 23 23 LEU CA C 13 58.9 0.31 . 1 . . . . 23 LEU CA . 6905 1
123 . 1 1 23 23 LEU CB C 13 42.4 0.31 . 1 . . . . 23 LEU CB . 6905 1
124 . 1 1 23 23 LEU N N 15 120.2 0.14 . 1 . . . . 23 LEU N . 6905 1
125 . 1 1 24 24 LEU H H 1 7.64 0.015 . 1 . . . . 24 LEU H . 6905 1
126 . 1 1 24 24 LEU HA H 1 3.88 0.05 . 1 . . . . 24 LEU HA . 6905 1
127 . 1 1 24 24 LEU C C 13 177.7 0.08 . 1 . . . . 24 LEU C . 6905 1
128 . 1 1 24 24 LEU CA C 13 57.1 0.31 . 1 . . . . 24 LEU CA . 6905 1
129 . 1 1 24 24 LEU CB C 13 42 0.31 . 1 . . . . 24 LEU CB . 6905 1
130 . 1 1 24 24 LEU N N 15 116.1 0.14 . 1 . . . . 24 LEU N . 6905 1
131 . 1 1 25 25 LYS H H 1 8.21 0.015 . 1 . . . . 25 LYS H . 6905 1
132 . 1 1 25 25 LYS HA H 1 4.09 0.05 . 1 . . . . 25 LYS HA . 6905 1
133 . 1 1 25 25 LYS C C 13 178 0.08 . 1 . . . . 25 LYS C . 6905 1
134 . 1 1 25 25 LYS CA C 13 57.8 0.31 . 1 . . . . 25 LYS CA . 6905 1
135 . 1 1 25 25 LYS CB C 13 33.2 0.31 . 1 . . . . 25 LYS CB . 6905 1
136 . 1 1 25 25 LYS N N 15 117.1 0.14 . 1 . . . . 25 LYS N . 6905 1
137 . 1 1 26 26 ASP H H 1 8.21 0.015 . 1 . . . . 26 ASP H . 6905 1
138 . 1 1 26 26 ASP HA H 1 4.59 0.05 . 1 . . . . 26 ASP HA . 6905 1
139 . 1 1 26 26 ASP C C 13 176.6 0.08 . 1 . . . . 26 ASP C . 6905 1
140 . 1 1 26 26 ASP CA C 13 55 0.31 . 1 . . . . 26 ASP CA . 6905 1
141 . 1 1 26 26 ASP CB C 13 40.6 0.31 . 1 . . . . 26 ASP CB . 6905 1
142 . 1 1 26 26 ASP N N 15 114.4 0.14 . 1 . . . . 26 ASP N . 6905 1
143 . 1 1 27 27 HIS H H 1 6.82 0.015 . 1 . . . . 27 HIS H . 6905 1
144 . 1 1 27 27 HIS HA H 1 4.72 0.05 . 1 . . . . 27 HIS HA . 6905 1
145 . 1 1 27 27 HIS C C 13 174.3 0.08 . 1 . . . . 27 HIS C . 6905 1
146 . 1 1 27 27 HIS CA C 13 55 0.31 . 1 . . . . 27 HIS CA . 6905 1
147 . 1 1 27 27 HIS CB C 13 27.7 0.31 . 1 . . . . 27 HIS CB . 6905 1
148 . 1 1 27 27 HIS N N 15 113.7 0.14 . 1 . . . . 27 HIS N . 6905 1
149 . 1 1 28 28 VAL H H 1 7.41 0.015 . 1 . . . . 28 VAL H . 6905 1
150 . 1 1 28 28 VAL C C 13 175.6 0.08 . 1 . . . . 28 VAL C . 6905 1
151 . 1 1 28 28 VAL CA C 13 62.9 0.31 . 1 . . . . 28 VAL CA . 6905 1
152 . 1 1 28 28 VAL CB C 13 32.5 0.31 . 1 . . . . 28 VAL CB . 6905 1
153 . 1 1 28 28 VAL N N 15 117.9 0.14 . 1 . . . . 28 VAL N . 6905 1
154 . 1 1 29 29 SER H H 1 8.2 0.015 . 1 . . . . 29 SER H . 6905 1
155 . 1 1 29 29 SER C C 13 174.5 0.08 . 1 . . . . 29 SER C . 6905 1
156 . 1 1 29 29 SER CA C 13 58.3 0.31 . 1 . . . . 29 SER CA . 6905 1
157 . 1 1 29 29 SER CB C 13 63.5 0.31 . 1 . . . . 29 SER CB . 6905 1
158 . 1 1 29 29 SER N N 15 117.9 0.14 . 1 . . . . 29 SER N . 6905 1
159 . 1 1 30 30 GLN H H 1 8.19 0.015 . 1 . . . . 30 GLN H . 6905 1
160 . 1 1 30 30 GLN C C 13 175.6 0.08 . 1 . . . . 30 GLN C . 6905 1
161 . 1 1 30 30 GLN CA C 13 55.8 0.31 . 1 . . . . 30 GLN CA . 6905 1
162 . 1 1 30 30 GLN CB C 13 29.3 0.31 . 1 . . . . 30 GLN CB . 6905 1
163 . 1 1 30 30 GLN N N 15 121.6 0.14 . 1 . . . . 30 GLN N . 6905 1
164 . 1 1 31 31 ASP H H 1 8.26 0.015 . 1 . . . . 31 ASP H . 6905 1
165 . 1 1 31 31 ASP HA H 1 4.52 0.05 . 1 . . . . 31 ASP HA . 6905 1
166 . 1 1 31 31 ASP C C 13 176.3 0.08 . 1 . . . . 31 ASP C . 6905 1
167 . 1 1 31 31 ASP CA C 13 54.1 0.31 . 1 . . . . 31 ASP CA . 6905 1
168 . 1 1 31 31 ASP CB C 13 40.9 0.31 . 1 . . . . 31 ASP CB . 6905 1
169 . 1 1 31 31 ASP N N 15 120.8 0.14 . 1 . . . . 31 ASP N . 6905 1
170 . 1 1 32 32 PHE H H 1 8.1 0.015 . 1 . . . . 32 PHE H . 6905 1
171 . 1 1 32 32 PHE HA H 1 4.57 0.05 . 1 . . . . 32 PHE HA . 6905 1
172 . 1 1 32 32 PHE C C 13 175.8 0.08 . 1 . . . . 32 PHE C . 6905 1
173 . 1 1 32 32 PHE CA C 13 57.7 0.31 . 1 . . . . 32 PHE CA . 6905 1
174 . 1 1 32 32 PHE CB C 13 38.5 0.31 . 1 . . . . 32 PHE CB . 6905 1
175 . 1 1 32 32 PHE N N 15 120.3 0.14 . 1 . . . . 32 PHE N . 6905 1
176 . 1 1 33 33 LYS H H 1 8.04 0.015 . 1 . . . . 33 LYS H . 6905 1
177 . 1 1 33 33 LYS HA H 1 4.2 0.05 . 1 . . . . 33 LYS HA . 6905 1
178 . 1 1 33 33 LYS C C 13 176.1 0.08 . 1 . . . . 33 LYS C . 6905 1
179 . 1 1 33 33 LYS CA C 13 56.1 0.31 . 1 . . . . 33 LYS CA . 6905 1
180 . 1 1 33 33 LYS CB C 13 32.9 0.31 . 1 . . . . 33 LYS CB . 6905 1
181 . 1 1 33 33 LYS N N 15 120.9 0.14 . 1 . . . . 33 LYS N . 6905 1
182 . 1 1 34 34 HIS H H 1 8.32 0.015 . 1 . . . . 34 HIS H . 6905 1
183 . 1 1 34 34 HIS C C 13 174 0.08 . 1 . . . . 34 HIS C . 6905 1
184 . 1 1 34 34 HIS CA C 13 53.6 0.31 . 1 . . . . 34 HIS CA . 6905 1
185 . 1 1 34 34 HIS CB C 13 29.6 0.31 . 1 . . . . 34 HIS CB . 6905 1
186 . 1 1 34 34 HIS N N 15 119.9 0.14 . 1 . . . . 34 HIS N . 6905 1
187 . 1 1 35 35 PRO C C 13 177.2 0.08 . 1 . . . . 35 PRO C . 6905 1
188 . 1 1 35 35 PRO CA C 13 63.8 0.31 . 1 . . . . 35 PRO CA . 6905 1
189 . 1 1 35 35 PRO CB C 13 32.2 0.31 . 1 . . . . 35 PRO CB . 6905 1
190 . 1 1 36 36 MET H H 1 8.95 0.015 . 1 . . . . 36 MET H . 6905 1
191 . 1 1 36 36 MET HA H 1 4.45 0.05 . 1 . . . . 36 MET HA . 6905 1
192 . 1 1 36 36 MET C C 13 175.9 0.08 . 1 . . . . 36 MET C . 6905 1
193 . 1 1 36 36 MET CA C 13 55.4 0.31 . 1 . . . . 36 MET CA . 6905 1
194 . 1 1 36 36 MET CB C 13 31.7 0.31 . 1 . . . . 36 MET CB . 6905 1
195 . 1 1 36 36 MET N N 15 117.7 0.14 . 1 . . . . 36 MET N . 6905 1
196 . 1 1 37 37 GLU H H 1 7.72 0.015 . 1 . . . . 37 GLU H . 6905 1
197 . 1 1 37 37 GLU HA H 1 4.67 0.05 . 1 . . . . 37 GLU HA . 6905 1
198 . 1 1 37 37 GLU C C 13 173.8 0.08 . 1 . . . . 37 GLU C . 6905 1
199 . 1 1 37 37 GLU CA C 13 53.8 0.31 . 1 . . . . 37 GLU CA . 6905 1
200 . 1 1 37 37 GLU CB C 13 30.2 0.31 . 1 . . . . 37 GLU CB . 6905 1
201 . 1 1 37 37 GLU N N 15 120.9 0.14 . 1 . . . . 37 GLU N . 6905 1
202 . 1 1 38 38 PRO C C 13 176.1 0.08 . 1 . . . . 38 PRO C . 6905 1
203 . 1 1 38 38 PRO CA C 13 62.9 0.31 . 1 . . . . 38 PRO CA . 6905 1
204 . 1 1 38 38 PRO CB C 13 32.4 0.31 . 1 . . . . 38 PRO CB . 6905 1
205 . 1 1 39 39 LEU H H 1 8.58 0.015 . 1 . . . . 39 LEU H . 6905 1
206 . 1 1 39 39 LEU HA H 1 4.41 0.05 . 1 . . . . 39 LEU HA . 6905 1
207 . 1 1 39 39 LEU C C 13 174.9 0.08 . 1 . . . . 39 LEU C . 6905 1
208 . 1 1 39 39 LEU CA C 13 54.1 0.31 . 1 . . . . 39 LEU CA . 6905 1
209 . 1 1 39 39 LEU CB C 13 42.8 0.31 . 1 . . . . 39 LEU CB . 6905 1
210 . 1 1 39 39 LEU N N 15 122.9 0.14 . 1 . . . . 39 LEU N . 6905 1
211 . 1 1 40 40 ALA H H 1 8.16 0.015 . 1 . . . . 40 ALA H . 6905 1
212 . 1 1 40 40 ALA HA H 1 4.77 0.05 . 1 . . . . 40 ALA HA . 6905 1
213 . 1 1 40 40 ALA C C 13 176.9 0.08 . 1 . . . . 40 ALA C . 6905 1
214 . 1 1 40 40 ALA CA C 13 50.8 0.31 . 1 . . . . 40 ALA CA . 6905 1
215 . 1 1 40 40 ALA CB C 13 20.4 0.31 . 1 . . . . 40 ALA CB . 6905 1
216 . 1 1 40 40 ALA N N 15 125.2 0.14 . 1 . . . . 40 ALA N . 6905 1
217 . 1 1 41 41 CYS H H 1 8.08 0.015 . 1 . . . . 41 CYS H . 6905 1
218 . 1 1 41 41 CYS HA H 1 4.34 0.05 . 1 . . . . 41 CYS HA . 6905 1
219 . 1 1 41 41 CYS C C 13 175.4 0.08 . 1 . . . . 41 CYS C . 6905 1
220 . 1 1 41 41 CYS CA C 13 60.3 0.31 . 1 . . . . 41 CYS CA . 6905 1
221 . 1 1 41 41 CYS CB C 13 31.3 0.31 . 1 . . . . 41 CYS CB . 6905 1
222 . 1 1 41 41 CYS N N 15 122.6 0.14 . 1 . . . . 41 CYS N . 6905 1
223 . 1 1 43 43 TRP C C 13 174.9 0.08 . 1 . . . . 43 TRP C . 6905 1
224 . 1 1 43 43 TRP CA C 13 58 0.31 . 1 . . . . 43 TRP CA . 6905 1
225 . 1 1 43 43 TRP CB C 13 28.9 0.31 . 1 . . . . 43 TRP CB . 6905 1
226 . 1 1 44 44 GLU H H 1 7.29 0.015 . 1 . . . . 44 GLU H . 6905 1
227 . 1 1 44 44 GLU CA C 13 58.3 0.31 . 1 . . . . 44 GLU CA . 6905 1
228 . 1 1 44 44 GLU CB C 13 29.6 0.31 . 1 . . . . 44 GLU CB . 6905 1
229 . 1 1 44 44 GLU N N 15 127.7 0.14 . 1 . . . . 44 GLU N . 6905 1
230 . 1 1 45 45 ASP H H 1 8.59 0.015 . 1 . . . . 45 ASP H . 6905 1
231 . 1 1 45 45 ASP HA H 1 4.5 0.05 . 1 . . . . 45 ASP HA . 6905 1
232 . 1 1 45 45 ASP C C 13 174.6 0.08 . 1 . . . . 45 ASP C . 6905 1
233 . 1 1 45 45 ASP CA C 13 54.5 0.31 . 1 . . . . 45 ASP CA . 6905 1
234 . 1 1 45 45 ASP CB C 13 39.7 0.31 . 1 . . . . 45 ASP CB . 6905 1
235 . 1 1 45 45 ASP N N 15 120.9 0.14 . 1 . . . . 45 ASP N . 6905 1
236 . 1 1 46 46 CYS H H 1 8.25 0.015 . 1 . . . . 46 CYS H . 6905 1
237 . 1 1 46 46 CYS HA H 1 4.31 0.05 . 1 . . . . 46 CYS HA . 6905 1
238 . 1 1 46 46 CYS C C 13 174.7 0.08 . 1 . . . . 46 CYS C . 6905 1
239 . 1 1 46 46 CYS CA C 13 61.2 0.31 . 1 . . . . 46 CYS CA . 6905 1
240 . 1 1 46 46 CYS CB C 13 30.4 0.31 . 1 . . . . 46 CYS CB . 6905 1
241 . 1 1 46 46 CYS N N 15 123.7 0.14 . 1 . . . . 46 CYS N . 6905 1
242 . 1 1 47 47 ASP H H 1 8.21 0.015 . 1 . . . . 47 ASP H . 6905 1
243 . 1 1 47 47 ASP HA H 1 4.95 0.05 . 1 . . . . 47 ASP HA . 6905 1
244 . 1 1 47 47 ASP C C 13 176.5 0.08 . 1 . . . . 47 ASP C . 6905 1
245 . 1 1 47 47 ASP CA C 13 52.9 0.31 . 1 . . . . 47 ASP CA . 6905 1
246 . 1 1 47 47 ASP CB C 13 40.9 0.31 . 1 . . . . 47 ASP CB . 6905 1
247 . 1 1 47 47 ASP N N 15 125.9 0.14 . 1 . . . . 47 ASP N . 6905 1
248 . 1 1 48 48 PHE H H 1 8.76 0.015 . 1 . . . . 48 PHE H . 6905 1
249 . 1 1 48 48 PHE HA H 1 3.99 0.05 . 1 . . . . 48 PHE HA . 6905 1
250 . 1 1 48 48 PHE C C 13 174.2 0.08 . 1 . . . . 48 PHE C . 6905 1
251 . 1 1 48 48 PHE CA C 13 60.8 0.31 . 1 . . . . 48 PHE CA . 6905 1
252 . 1 1 48 48 PHE CB C 13 40.4 0.31 . 1 . . . . 48 PHE CB . 6905 1
253 . 1 1 48 48 PHE N N 15 124.3 0.14 . 1 . . . . 48 PHE N . 6905 1
254 . 1 1 49 49 LEU H H 1 7.05 0.015 . 1 . . . . 49 LEU H . 6905 1
255 . 1 1 49 49 LEU HA H 1 4.67 0.05 . 1 . . . . 49 LEU HA . 6905 1
256 . 1 1 49 49 LEU C C 13 175.2 0.08 . 1 . . . . 49 LEU C . 6905 1
257 . 1 1 49 49 LEU CA C 13 53.1 0.31 . 1 . . . . 49 LEU CA . 6905 1
258 . 1 1 49 49 LEU CB C 13 44.6 0.31 . 1 . . . . 49 LEU CB . 6905 1
259 . 1 1 49 49 LEU N N 15 129 0.14 . 1 . . . . 49 LEU N . 6905 1
260 . 1 1 50 50 GLY H H 1 8.89 0.015 . 1 . . . . 50 GLY H . 6905 1
261 . 1 1 50 50 GLY C C 13 172.9 0.08 . 1 . . . . 50 GLY C . 6905 1
262 . 1 1 50 50 GLY CA C 13 43.9 0.31 . 1 . . . . 50 GLY CA . 6905 1
263 . 1 1 50 50 GLY N N 15 109.7 0.14 . 1 . . . . 50 GLY N . 6905 1
264 . 1 1 51 51 ASP H H 1 8.57 0.015 . 1 . . . . 51 ASP H . 6905 1
265 . 1 1 51 51 ASP C C 13 175.5 0.08 . 1 . . . . 51 ASP C . 6905 1
266 . 1 1 51 51 ASP CA C 13 55.5 0.31 . 1 . . . . 51 ASP CA . 6905 1
267 . 1 1 51 51 ASP CB C 13 41.5 0.31 . 1 . . . . 51 ASP CB . 6905 1
268 . 1 1 51 51 ASP N N 15 119.2 0.14 . 1 . . . . 51 ASP N . 6905 1
269 . 1 1 52 52 ASP H H 1 7.68 0.015 . 1 . . . . 52 ASP H . 6905 1
270 . 1 1 52 52 ASP HA H 1 4.38 0.05 . 1 . . . . 52 ASP HA . 6905 1
271 . 1 1 52 52 ASP C C 13 177 0.08 . 1 . . . . 52 ASP C . 6905 1
272 . 1 1 52 52 ASP CA C 13 54.4 0.31 . 1 . . . . 52 ASP CA . 6905 1
273 . 1 1 52 52 ASP CB C 13 40.8 0.31 . 1 . . . . 52 ASP CB . 6905 1
274 . 1 1 52 52 ASP N N 15 113.6 0.14 . 1 . . . . 52 ASP N . 6905 1
275 . 1 1 53 53 THR H H 1 8.25 0.015 . 1 . . . . 53 THR H . 6905 1
276 . 1 1 53 53 THR HA H 1 4.22 0.05 . 1 . . . . 53 THR HA . 6905 1
277 . 1 1 53 53 THR C C 13 175.1 0.08 . 1 . . . . 53 THR C . 6905 1
278 . 1 1 53 53 THR CA C 13 62.7 0.31 . 1 . . . . 53 THR CA . 6905 1
279 . 1 1 53 53 THR CB C 13 69.4 0.31 . 1 . . . . 53 THR CB . 6905 1
280 . 1 1 53 53 THR N N 15 113.7 0.14 . 1 . . . . 53 THR N . 6905 1
281 . 1 1 54 54 CYS H H 1 8.28 0.015 . 1 . . . . 54 CYS H . 6905 1
282 . 1 1 54 54 CYS HA H 1 4.36 0.05 . 1 . . . . 54 CYS HA . 6905 1
283 . 1 1 54 54 CYS C C 13 174.5 0.08 . 1 . . . . 54 CYS C . 6905 1
284 . 1 1 54 54 CYS CA C 13 59 0.31 . 1 . . . . 54 CYS CA . 6905 1
285 . 1 1 54 54 CYS CB C 13 27.7 0.31 . 1 . . . . 54 CYS CB . 6905 1
286 . 1 1 54 54 CYS N N 15 120.3 0.14 . 1 . . . . 54 CYS N . 6905 1
287 . 1 1 55 55 SER H H 1 8.28 0.015 . 1 . . . . 55 SER H . 6905 1
288 . 1 1 55 55 SER C C 13 173.9 0.08 . 1 . . . . 55 SER C . 6905 1
289 . 1 1 55 55 SER CA C 13 58.3 0.31 . 1 . . . . 55 SER CA . 6905 1
290 . 1 1 55 55 SER CB C 13 63.4 0.31 . 1 . . . . 55 SER CB . 6905 1
291 . 1 1 55 55 SER N N 15 117.8 0.14 . 1 . . . . 55 SER N . 6905 1
292 . 1 1 56 56 ILE H H 1 8.09 0.015 . 1 . . . . 56 ILE H . 6905 1
293 . 1 1 56 56 ILE HA H 1 4.34 0.05 . 1 . . . . 56 ILE HA . 6905 1
294 . 1 1 56 56 ILE C C 13 176 0.08 . 1 . . . . 56 ILE C . 6905 1
295 . 1 1 56 56 ILE CA C 13 61.4 0.31 . 1 . . . . 56 ILE CA . 6905 1
296 . 1 1 56 56 ILE CB C 13 38.7 0.31 . 1 . . . . 56 ILE CB . 6905 1
297 . 1 1 56 56 ILE N N 15 122.5 0.14 . 1 . . . . 56 ILE N . 6905 1
298 . 1 1 57 57 VAL C C 13 177.7 0.08 . 1 . . . . 57 VAL C . 6905 1
299 . 1 1 57 57 VAL CA C 13 67.3 0.31 . 1 . . . . 57 VAL CA . 6905 1
300 . 1 1 57 57 VAL CB C 13 31.4 0.31 . 1 . . . . 57 VAL CB . 6905 1
301 . 1 1 58 58 ASN H H 1 8.25 0.015 . 1 . . . . 58 ASN H . 6905 1
302 . 1 1 58 58 ASN HA H 1 4.67 0.05 . 1 . . . . 58 ASN HA . 6905 1
303 . 1 1 58 58 ASN C C 13 177.3 0.08 . 1 . . . . 58 ASN C . 6905 1
304 . 1 1 58 58 ASN CA C 13 56.3 0.31 . 1 . . . . 58 ASN CA . 6905 1
305 . 1 1 58 58 ASN CB C 13 38.2 0.31 . 1 . . . . 58 ASN CB . 6905 1
306 . 1 1 58 58 ASN N N 15 116.8 0.14 . 1 . . . . 58 ASN N . 6905 1
307 . 1 1 59 59 HIS H H 1 7.8 0.015 . 1 . . . . 59 HIS H . 6905 1
308 . 1 1 59 59 HIS HA H 1 3.97 0.05 . 1 . . . . 59 HIS HA . 6905 1
309 . 1 1 59 59 HIS C C 13 176.2 0.08 . 1 . . . . 59 HIS C . 6905 1
310 . 1 1 59 59 HIS CA C 13 59.2 0.31 . 1 . . . . 59 HIS CA . 6905 1
311 . 1 1 59 59 HIS CB C 13 27.7 0.31 . 1 . . . . 59 HIS CB . 6905 1
312 . 1 1 59 59 HIS N N 15 118.8 0.14 . 1 . . . . 59 HIS N . 6905 1
313 . 1 1 60 60 ILE H H 1 8.53 0.015 . 1 . . . . 60 ILE H . 6905 1
314 . 1 1 60 60 ILE C C 13 177.6 0.08 . 1 . . . . 60 ILE C . 6905 1
315 . 1 1 60 60 ILE CA C 13 65.3 0.31 . 1 . . . . 60 ILE CA . 6905 1
316 . 1 1 60 60 ILE CB C 13 37.9 0.31 . 1 . . . . 60 ILE CB . 6905 1
317 . 1 1 60 60 ILE N N 15 120.2 0.14 . 1 . . . . 60 ILE N . 6905 1
318 . 1 1 61 61 ASN H H 1 7.98 0.015 . 1 . . . . 61 ASN H . 6905 1
319 . 1 1 61 61 ASN HA H 1 4.38 0.05 . 1 . . . . 61 ASN HA . 6905 1
320 . 1 1 61 61 ASN C C 13 177.3 0.08 . 1 . . . . 61 ASN C . 6905 1
321 . 1 1 61 61 ASN CA C 13 55.2 0.31 . 1 . . . . 61 ASN CA . 6905 1
322 . 1 1 61 61 ASN CB C 13 38.7 0.31 . 1 . . . . 61 ASN CB . 6905 1
323 . 1 1 61 61 ASN N N 15 115.1 0.14 . 1 . . . . 61 ASN N . 6905 1
324 . 1 1 62 62 CYS H H 1 7.68 0.015 . 1 . . . . 62 CYS H . 6905 1
325 . 1 1 62 62 CYS HA H 1 4.4 0.05 . 1 . . . . 62 CYS HA . 6905 1
326 . 1 1 62 62 CYS C C 13 175.8 0.08 . 1 . . . . 62 CYS C . 6905 1
327 . 1 1 62 62 CYS CA C 13 60.7 0.31 . 1 . . . . 62 CYS CA . 6905 1
328 . 1 1 62 62 CYS CB C 13 28.7 0.31 . 1 . . . . 62 CYS CB . 6905 1
329 . 1 1 62 62 CYS N N 15 114.1 0.14 . 1 . . . . 62 CYS N . 6905 1
330 . 1 1 63 63 GLN H H 1 8.03 0.015 . 1 . . . . 63 GLN H . 6905 1
331 . 1 1 63 63 GLN HA H 1 4.18 0.05 . 1 . . . . 63 GLN HA . 6905 1
332 . 1 1 63 63 GLN C C 13 174.9 0.08 . 1 . . . . 63 GLN C . 6905 1
333 . 1 1 63 63 GLN CA C 13 55.6 0.31 . 1 . . . . 63 GLN CA . 6905 1
334 . 1 1 63 63 GLN CB C 13 29.3 0.31 . 1 . . . . 63 GLN CB . 6905 1
335 . 1 1 63 63 GLN N N 15 116.4 0.14 . 1 . . . . 63 GLN N . 6905 1
336 . 1 1 64 64 HIS H H 1 8.08 0.015 . 1 . . . . 64 HIS H . 6905 1
337 . 1 1 64 64 HIS HA H 1 4.45 0.05 . 1 . . . . 64 HIS HA . 6905 1
338 . 1 1 64 64 HIS C C 13 179 0.08 . 1 . . . . 64 HIS C . 6905 1
339 . 1 1 64 64 HIS CA C 13 56.7 0.31 . 1 . . . . 64 HIS CA . 6905 1
340 . 1 1 64 64 HIS CB C 13 30.1 0.31 . 1 . . . . 64 HIS CB . 6905 1
341 . 1 1 64 64 HIS N N 15 125.3 0.14 . 1 . . . . 64 HIS N . 6905 1
stop_
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