###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
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 50866
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'CITED2-HIF-1alpha fusion peptide'
_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 .
_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' . . . 50866 1
2 '3D best-HNCO' . . . 50866 1
3 '3D best-HNCA' . . . 50866 1
4 '3D best-HN(CO)CA' . . . 50866 1
5 '3D best-HNCACB' . . . 50866 1
6 '3D best-HN(CO)CACB' . . . 50866 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 . . 50866 1
2 $software_2 . . 50866 1
3 $software_3 . . 50866 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 4 4 MET C C 13 176.055 0.050 . 1 . . . . . 4 MET C . 50866 1
2 . 1 . 1 4 4 MET CA C 13 55.528 0.010 . 1 . . . . . 4 MET CA . 50866 1
3 . 1 . 1 4 4 MET CB C 13 33.094 0.010 . 1 . . . . . 4 MET CB . 50866 1
4 . 1 . 1 5 5 SER H H 1 8.366 0.010 . 1 . . . . . 5 SER H . 50866 1
5 . 1 . 1 5 5 SER C C 13 174.121 0.050 . 1 . . . . . 5 SER C . 50866 1
6 . 1 . 1 5 5 SER CA C 13 58.498 0.010 . 1 . . . . . 5 SER CA . 50866 1
7 . 1 . 1 5 5 SER CB C 13 63.718 0.010 . 1 . . . . . 5 SER CB . 50866 1
8 . 1 . 1 5 5 SER N N 15 116.790 0.010 . 1 . . . . . 5 SER N . 50866 1
9 . 1 . 1 6 6 ASN H H 1 8.491 0.010 . 1 . . . . . 6 ASN H . 50866 1
10 . 1 . 1 6 6 ASN C C 13 174.866 0.050 . 1 . . . . . 6 ASN C . 50866 1
11 . 1 . 1 6 6 ASN CA C 13 53.404 0.010 . 1 . . . . . 6 ASN CA . 50866 1
12 . 1 . 1 6 6 ASN CB C 13 38.816 0.010 . 1 . . . . . 6 ASN CB . 50866 1
13 . 1 . 1 6 6 ASN N N 15 120.314 0.010 . 1 . . . . . 6 ASN N . 50866 1
14 . 1 . 1 7 7 VAL H H 1 8.017 0.010 . 1 . . . . . 7 VAL H . 50866 1
15 . 1 . 1 7 7 VAL C C 13 175.918 0.050 . 1 . . . . . 7 VAL C . 50866 1
16 . 1 . 1 7 7 VAL CA C 13 62.510 0.010 . 1 . . . . . 7 VAL CA . 50866 1
17 . 1 . 1 7 7 VAL CB C 13 32.806 0.010 . 1 . . . . . 7 VAL CB . 50866 1
18 . 1 . 1 7 7 VAL N N 15 119.914 0.010 . 1 . . . . . 7 VAL N . 50866 1
19 . 1 . 1 8 8 ILE H H 1 8.186 0.010 . 1 . . . . . 8 ILE H . 50866 1
20 . 1 . 1 8 8 ILE C C 13 175.797 0.050 . 1 . . . . . 8 ILE C . 50866 1
21 . 1 . 1 8 8 ILE CA C 13 60.993 0.010 . 1 . . . . . 8 ILE CA . 50866 1
22 . 1 . 1 8 8 ILE CB C 13 38.881 0.010 . 1 . . . . . 8 ILE CB . 50866 1
23 . 1 . 1 8 8 ILE N N 15 124.052 0.010 . 1 . . . . . 8 ILE N . 50866 1
24 . 1 . 1 9 9 ASP H H 1 8.361 0.010 . 1 . . . . . 9 ASP H . 50866 1
25 . 1 . 1 9 9 ASP C C 13 176.427 0.050 . 1 . . . . . 9 ASP C . 50866 1
26 . 1 . 1 9 9 ASP CA C 13 54.451 0.010 . 1 . . . . . 9 ASP CA . 50866 1
27 . 1 . 1 9 9 ASP CB C 13 41.301 0.010 . 1 . . . . . 9 ASP CB . 50866 1
28 . 1 . 1 9 9 ASP N N 15 124.555 0.010 . 1 . . . . . 9 ASP N . 50866 1
29 . 1 . 1 10 10 THR H H 1 8.047 0.010 . 1 . . . . . 10 THR H . 50866 1
30 . 1 . 1 10 10 THR C C 13 174.310 0.050 . 1 . . . . . 10 THR C . 50866 1
31 . 1 . 1 10 10 THR CA C 13 62.011 0.010 . 1 . . . . . 10 THR CA . 50866 1
32 . 1 . 1 10 10 THR CB C 13 69.634 0.010 . 1 . . . . . 10 THR CB . 50866 1
33 . 1 . 1 10 10 THR N N 15 113.813 0.010 . 1 . . . . . 10 THR N . 50866 1
34 . 1 . 1 11 11 ASP H H 1 8.319 0.010 . 1 . . . . . 11 ASP H . 50866 1
35 . 1 . 1 11 11 ASP C C 13 175.763 0.050 . 1 . . . . . 11 ASP C . 50866 1
36 . 1 . 1 11 11 ASP CA C 13 54.645 0.010 . 1 . . . . . 11 ASP CA . 50866 1
37 . 1 . 1 11 11 ASP CB C 13 41.063 0.010 . 1 . . . . . 11 ASP CB . 50866 1
38 . 1 . 1 11 11 ASP N N 15 122.263 0.010 . 1 . . . . . 11 ASP N . 50866 1
39 . 1 . 1 12 12 PHE H H 1 8.016 0.010 . 1 . . . . . 12 PHE H . 50866 1
40 . 1 . 1 12 12 PHE C C 13 175.165 0.050 . 1 . . . . . 12 PHE C . 50866 1
41 . 1 . 1 12 12 PHE CA C 13 57.848 0.010 . 1 . . . . . 12 PHE CA . 50866 1
42 . 1 . 1 12 12 PHE CB C 13 39.753 0.010 . 1 . . . . . 12 PHE CB . 50866 1
43 . 1 . 1 12 12 PHE N N 15 120.270 0.010 . 1 . . . . . 12 PHE N . 50866 1
44 . 1 . 1 13 13 ILE H H 1 7.939 0.010 . 1 . . . . . 13 ILE H . 50866 1
45 . 1 . 1 13 13 ILE C C 13 175.052 0.050 . 1 . . . . . 13 ILE C . 50866 1
46 . 1 . 1 13 13 ILE CA C 13 60.753 0.010 . 1 . . . . . 13 ILE CA . 50866 1
47 . 1 . 1 13 13 ILE CB C 13 39.173 0.010 . 1 . . . . . 13 ILE CB . 50866 1
48 . 1 . 1 13 13 ILE N N 15 123.707 0.010 . 1 . . . . . 13 ILE N . 50866 1
49 . 1 . 1 14 14 ASP H H 1 8.228 0.010 . 1 . . . . . 14 ASP H . 50866 1
50 . 1 . 1 14 14 ASP C C 13 176.379 0.050 . 1 . . . . . 14 ASP C . 50866 1
51 . 1 . 1 14 14 ASP CA C 13 54.204 0.010 . 1 . . . . . 14 ASP CA . 50866 1
52 . 1 . 1 14 14 ASP CB C 13 41.538 0.010 . 1 . . . . . 14 ASP CB . 50866 1
53 . 1 . 1 14 14 ASP N N 15 125.024 0.010 . 1 . . . . . 14 ASP N . 50866 1
54 . 1 . 1 15 15 GLU H H 1 8.505 0.010 . 1 . . . . . 15 GLU H . 50866 1
55 . 1 . 1 15 15 GLU C C 13 177.127 0.050 . 1 . . . . . 15 GLU C . 50866 1
56 . 1 . 1 15 15 GLU CA C 13 57.847 0.010 . 1 . . . . . 15 GLU CA . 50866 1
57 . 1 . 1 15 15 GLU CB C 13 30.332 0.010 . 1 . . . . . 15 GLU CB . 50866 1
58 . 1 . 1 15 15 GLU N N 15 122.500 0.010 . 1 . . . . . 15 GLU N . 50866 1
59 . 1 . 1 16 16 GLU H H 1 8.476 0.010 . 1 . . . . . 16 GLU H . 50866 1
60 . 1 . 1 16 16 GLU C C 13 177.637 0.050 . 1 . . . . . 16 GLU C . 50866 1
61 . 1 . 1 16 16 GLU CA C 13 57.978 0.010 . 1 . . . . . 16 GLU CA . 50866 1
62 . 1 . 1 16 16 GLU CB C 13 29.866 0.010 . 1 . . . . . 16 GLU CB . 50866 1
63 . 1 . 1 16 16 GLU N N 15 120.987 0.010 . 1 . . . . . 16 GLU N . 50866 1
64 . 1 . 1 17 17 VAL H H 1 7.952 0.010 . 1 . . . . . 17 VAL H . 50866 1
65 . 1 . 1 17 17 VAL C C 13 177.165 0.050 . 1 . . . . . 17 VAL C . 50866 1
66 . 1 . 1 17 17 VAL CA C 13 63.729 0.010 . 1 . . . . . 17 VAL CA . 50866 1
67 . 1 . 1 17 17 VAL CB C 13 32.350 0.010 . 1 . . . . . 17 VAL CB . 50866 1
68 . 1 . 1 17 17 VAL N N 15 121.330 0.010 . 1 . . . . . 17 VAL N . 50866 1
69 . 1 . 1 18 18 LEU H H 1 8.119 0.010 . 1 . . . . . 18 LEU H . 50866 1
70 . 1 . 1 18 18 LEU C C 13 178.090 0.050 . 1 . . . . . 18 LEU C . 50866 1
71 . 1 . 1 18 18 LEU CA C 13 56.263 0.010 . 1 . . . . . 18 LEU CA . 50866 1
72 . 1 . 1 18 18 LEU CB C 13 42.050 0.010 . 1 . . . . . 18 LEU CB . 50866 1
73 . 1 . 1 18 18 LEU N N 15 123.869 0.010 . 1 . . . . . 18 LEU N . 50866 1
74 . 1 . 1 19 19 MET H H 1 8.244 0.010 . 1 . . . . . 19 MET H . 50866 1
75 . 1 . 1 19 19 MET C C 13 176.971 0.050 . 1 . . . . . 19 MET C . 50866 1
76 . 1 . 1 19 19 MET CA C 13 56.415 0.010 . 1 . . . . . 19 MET CA . 50866 1
77 . 1 . 1 19 19 MET CB C 13 32.569 0.010 . 1 . . . . . 19 MET CB . 50866 1
78 . 1 . 1 19 19 MET N N 15 119.616 0.010 . 1 . . . . . 19 MET N . 50866 1
79 . 1 . 1 20 20 SER H H 1 8.062 0.010 . 1 . . . . . 20 SER H . 50866 1
80 . 1 . 1 20 20 SER C C 13 174.909 0.050 . 1 . . . . . 20 SER C . 50866 1
81 . 1 . 1 20 20 SER CA C 13 59.398 0.010 . 1 . . . . . 20 SER CA . 50866 1
82 . 1 . 1 20 20 SER CB C 13 63.530 0.010 . 1 . . . . . 20 SER CB . 50866 1
83 . 1 . 1 20 20 SER N N 15 115.762 0.010 . 1 . . . . . 20 SER N . 50866 1
84 . 1 . 1 21 21 LEU H H 1 8.020 0.010 . 1 . . . . . 21 LEU H . 50866 1
85 . 1 . 1 21 21 LEU C C 13 177.635 0.050 . 1 . . . . . 21 LEU C . 50866 1
86 . 1 . 1 21 21 LEU CA C 13 55.999 0.010 . 1 . . . . . 21 LEU CA . 50866 1
87 . 1 . 1 21 21 LEU CB C 13 42.404 0.010 . 1 . . . . . 21 LEU CB . 50866 1
88 . 1 . 1 21 21 LEU N N 15 123.721 0.010 . 1 . . . . . 21 LEU N . 50866 1
89 . 1 . 1 22 22 VAL H H 1 8.004 0.010 . 1 . . . . . 22 VAL H . 50866 1
90 . 1 . 1 22 22 VAL C C 13 176.849 0.050 . 1 . . . . . 22 VAL C . 50866 1
91 . 1 . 1 22 22 VAL CA C 13 63.632 0.010 . 1 . . . . . 22 VAL CA . 50866 1
92 . 1 . 1 22 22 VAL CB C 13 32.360 0.010 . 1 . . . . . 22 VAL CB . 50866 1
93 . 1 . 1 22 22 VAL N N 15 120.885 0.010 . 1 . . . . . 22 VAL N . 50866 1
94 . 1 . 1 23 23 ILE H H 1 8.085 0.010 . 1 . . . . . 23 ILE H . 50866 1
95 . 1 . 1 23 23 ILE C C 13 176.929 0.050 . 1 . . . . . 23 ILE C . 50866 1
96 . 1 . 1 23 23 ILE CA C 13 61.857 0.010 . 1 . . . . . 23 ILE CA . 50866 1
97 . 1 . 1 23 23 ILE CB C 13 38.555 0.010 . 1 . . . . . 23 ILE CB . 50866 1
98 . 1 . 1 23 23 ILE N N 15 123.865 0.010 . 1 . . . . . 23 ILE N . 50866 1
99 . 1 . 1 24 24 GLU H H 1 8.372 0.010 . 1 . . . . . 24 GLU H . 50866 1
100 . 1 . 1 24 24 GLU C C 13 176.921 0.050 . 1 . . . . . 24 GLU C . 50866 1
101 . 1 . 1 24 24 GLU CA C 13 57.248 0.010 . 1 . . . . . 24 GLU CA . 50866 1
102 . 1 . 1 24 24 GLU CB C 13 30.179 0.010 . 1 . . . . . 24 GLU CB . 50866 1
103 . 1 . 1 24 24 GLU N N 15 124.088 0.010 . 1 . . . . . 24 GLU N . 50866 1
104 . 1 . 1 25 25 MET H H 1 8.383 0.010 . 1 . . . . . 25 MET H . 50866 1
105 . 1 . 1 25 25 MET C C 13 176.935 0.050 . 1 . . . . . 25 MET C . 50866 1
106 . 1 . 1 25 25 MET CA C 13 55.991 0.010 . 1 . . . . . 25 MET CA . 50866 1
107 . 1 . 1 25 25 MET CB C 13 33.174 0.010 . 1 . . . . . 25 MET CB . 50866 1
108 . 1 . 1 25 25 MET N N 15 120.364 0.010 . 1 . . . . . 25 MET N . 50866 1
109 . 1 . 1 26 26 GLY H H 1 8.338 0.010 . 1 . . . . . 26 GLY H . 50866 1
110 . 1 . 1 26 26 GLY C C 13 174.638 0.050 . 1 . . . . . 26 GLY C . 50866 1
111 . 1 . 1 26 26 GLY CA C 13 45.712 0.010 . 1 . . . . . 26 GLY CA . 50866 1
112 . 1 . 1 26 26 GLY N N 15 109.311 0.010 . 1 . . . . . 26 GLY N . 50866 1
113 . 1 . 1 27 27 LEU H H 1 8.117 0.010 . 1 . . . . . 27 LEU H . 50866 1
114 . 1 . 1 27 27 LEU C C 13 177.387 0.050 . 1 . . . . . 27 LEU C . 50866 1
115 . 1 . 1 27 27 LEU CA C 13 55.661 0.010 . 1 . . . . . 27 LEU CA . 50866 1
116 . 1 . 1 27 27 LEU CB C 13 42.325 0.010 . 1 . . . . . 27 LEU CB . 50866 1
117 . 1 . 1 27 27 LEU N N 15 121.243 0.010 . 1 . . . . . 27 LEU N . 50866 1
118 . 1 . 1 28 28 ASP H H 1 8.444 0.010 . 1 . . . . . 28 ASP H . 50866 1
119 . 1 . 1 28 28 ASP C C 13 176.285 0.050 . 1 . . . . . 28 ASP C . 50866 1
120 . 1 . 1 28 28 ASP CA C 13 54.640 0.010 . 1 . . . . . 28 ASP CA . 50866 1
121 . 1 . 1 28 28 ASP CB C 13 40.825 0.010 . 1 . . . . . 28 ASP CB . 50866 1
122 . 1 . 1 28 28 ASP N N 15 119.672 0.010 . 1 . . . . . 28 ASP N . 50866 1
123 . 1 . 1 29 29 ARG H H 1 7.993 0.010 . 1 . . . . . 29 ARG H . 50866 1
124 . 1 . 1 29 29 ARG C C 13 176.436 0.050 . 1 . . . . . 29 ARG C . 50866 1
125 . 1 . 1 29 29 ARG CA C 13 56.161 0.010 . 1 . . . . . 29 ARG CA . 50866 1
126 . 1 . 1 29 29 ARG CB C 13 30.840 0.010 . 1 . . . . . 29 ARG CB . 50866 1
127 . 1 . 1 29 29 ARG N N 15 120.214 0.010 . 1 . . . . . 29 ARG N . 50866 1
128 . 1 . 1 30 30 ILE H H 1 8.044 0.010 . 1 . . . . . 30 ILE H . 50866 1
129 . 1 . 1 30 30 ILE C C 13 176.357 0.050 . 1 . . . . . 30 ILE C . 50866 1
130 . 1 . 1 30 30 ILE CA C 13 61.622 0.010 . 1 . . . . . 30 ILE CA . 50866 1
131 . 1 . 1 30 30 ILE CB C 13 38.393 0.010 . 1 . . . . . 30 ILE CB . 50866 1
132 . 1 . 1 30 30 ILE N N 15 121.245 0.010 . 1 . . . . . 30 ILE N . 50866 1
133 . 1 . 1 31 31 LYS H H 1 8.247 0.010 . 1 . . . . . 31 LYS H . 50866 1
134 . 1 . 1 31 31 LYS C C 13 176.244 0.050 . 1 . . . . . 31 LYS C . 50866 1
135 . 1 . 1 31 31 LYS CA C 13 56.442 0.010 . 1 . . . . . 31 LYS CA . 50866 1
136 . 1 . 1 31 31 LYS CB C 13 33.149 0.010 . 1 . . . . . 31 LYS CB . 50866 1
137 . 1 . 1 31 31 LYS N N 15 124.587 0.010 . 1 . . . . . 31 LYS N . 50866 1
138 . 1 . 1 32 32 GLU H H 1 8.275 0.010 . 1 . . . . . 32 GLU H . 50866 1
139 . 1 . 1 32 32 GLU C C 13 176.517 0.050 . 1 . . . . . 32 GLU C . 50866 1
140 . 1 . 1 32 32 GLU CA C 13 56.442 0.010 . 1 . . . . . 32 GLU CA . 50866 1
141 . 1 . 1 32 32 GLU CB C 13 32.788 0.010 . 1 . . . . . 32 GLU CB . 50866 1
142 . 1 . 1 32 32 GLU N N 15 121.667 0.010 . 1 . . . . . 32 GLU N . 50866 1
143 . 1 . 1 33 33 LEU H H 1 8.105 0.010 . 1 . . . . . 33 LEU H . 50866 1
144 . 1 . 1 33 33 LEU CA C 13 61.577 0.010 . 1 . . . . . 33 LEU CA . 50866 1
145 . 1 . 1 33 33 LEU CB C 13 38.578 0.010 . 1 . . . . . 33 LEU CB . 50866 1
146 . 1 . 1 33 33 LEU N N 15 124.297 0.010 . 1 . . . . . 33 LEU N . 50866 1
147 . 1 . 1 34 34 PRO C C 13 176.899 0.050 . 1 . . . . . 34 PRO C . 50866 1
148 . 1 . 1 34 34 PRO CA C 13 63.236 0.010 . 1 . . . . . 34 PRO CA . 50866 1
149 . 1 . 1 34 34 PRO CB C 13 32.065 0.010 . 1 . . . . . 34 PRO CB . 50866 1
150 . 1 . 1 35 35 GLU H H 1 8.525 0.010 . 1 . . . . . 35 GLU H . 50866 1
151 . 1 . 1 35 35 GLU C C 13 176.583 0.050 . 1 . . . . . 35 GLU C . 50866 1
152 . 1 . 1 35 35 GLU CA C 13 56.666 0.010 . 1 . . . . . 35 GLU CA . 50866 1
153 . 1 . 1 35 35 GLU CB C 13 30.217 0.010 . 1 . . . . . 35 GLU CB . 50866 1
154 . 1 . 1 35 35 GLU N N 15 120.533 0.010 . 1 . . . . . 35 GLU N . 50866 1
155 . 1 . 1 36 36 LEU H H 1 8.290 0.010 . 1 . . . . . 36 LEU H . 50866 1
156 . 1 . 1 36 36 LEU C C 13 177.469 0.050 . 1 . . . . . 36 LEU C . 50866 1
157 . 1 . 1 36 36 LEU CA C 13 55.238 0.010 . 1 . . . . . 36 LEU CA . 50866 1
158 . 1 . 1 36 36 LEU CB C 13 42.408 0.010 . 1 . . . . . 36 LEU CB . 50866 1
159 . 1 . 1 36 36 LEU N N 15 123.425 0.010 . 1 . . . . . 36 LEU N . 50866 1
160 . 1 . 1 37 37 THR H H 1 8.153 0.010 . 1 . . . . . 37 THR H . 50866 1
161 . 1 . 1 37 37 THR C C 13 174.379 0.050 . 1 . . . . . 37 THR C . 50866 1
162 . 1 . 1 37 37 THR CA C 13 61.885 0.010 . 1 . . . . . 37 THR CA . 50866 1
163 . 1 . 1 37 37 THR CB C 13 70.045 0.010 . 1 . . . . . 37 THR CB . 50866 1
164 . 1 . 1 37 37 THR N N 15 114.888 0.010 . 1 . . . . . 37 THR N . 50866 1
165 . 1 . 1 38 38 SER H H 1 8.221 0.010 . 1 . . . . . 38 SER H . 50866 1
166 . 1 . 1 38 38 SER C C 13 174.120 0.050 . 1 . . . . . 38 SER C . 50866 1
167 . 1 . 1 38 38 SER CA C 13 58.131 0.010 . 1 . . . . . 38 SER CA . 50866 1
168 . 1 . 1 38 38 SER CB C 13 63.900 0.010 . 1 . . . . . 38 SER CB . 50866 1
169 . 1 . 1 38 38 SER N N 15 117.760 0.010 . 1 . . . . . 38 SER N . 50866 1
170 . 1 . 1 39 39 TYR H H 1 8.212 0.010 . 1 . . . . . 39 TYR H . 50866 1
171 . 1 . 1 39 39 TYR C C 13 175.494 0.050 . 1 . . . . . 39 TYR C . 50866 1
172 . 1 . 1 39 39 TYR CA C 13 57.980 0.010 . 1 . . . . . 39 TYR CA . 50866 1
173 . 1 . 1 39 39 TYR CB C 13 38.901 0.010 . 1 . . . . . 39 TYR CB . 50866 1
174 . 1 . 1 39 39 TYR N N 15 122.281 0.010 . 1 . . . . . 39 TYR N . 50866 1
175 . 1 . 1 40 40 ASP H H 1 8.275 0.010 . 1 . . . . . 40 ASP H . 50866 1
176 . 1 . 1 40 40 ASP C C 13 176.038 0.050 . 1 . . . . . 40 ASP C . 50866 1
177 . 1 . 1 40 40 ASP CA C 13 54.417 0.010 . 1 . . . . . 40 ASP CA . 50866 1
178 . 1 . 1 40 40 ASP CB C 13 41.267 0.010 . 1 . . . . . 40 ASP CB . 50866 1
179 . 1 . 1 40 40 ASP N N 15 121.970 0.010 . 1 . . . . . 40 ASP N . 50866 1
180 . 1 . 1 41 41 CYS H H 1 8.176 0.010 . 1 . . . . . 41 CYS H . 50866 1
181 . 1 . 1 41 41 CYS C C 13 174.600 0.050 . 1 . . . . . 41 CYS C . 50866 1
182 . 1 . 1 41 41 CYS CA C 13 58.624 0.010 . 1 . . . . . 41 CYS CA . 50866 1
183 . 1 . 1 41 41 CYS CB C 13 28.221 0.010 . 1 . . . . . 41 CYS CB . 50866 1
184 . 1 . 1 41 41 CYS N N 15 119.044 0.010 . 1 . . . . . 41 CYS N . 50866 1
185 . 1 . 1 42 42 GLU H H 1 8.492 0.010 . 1 . . . . . 42 GLU H . 50866 1
186 . 1 . 1 42 42 GLU C C 13 176.693 0.050 . 1 . . . . . 42 GLU C . 50866 1
187 . 1 . 1 42 42 GLU CA C 13 56.929 0.010 . 1 . . . . . 42 GLU CA . 50866 1
188 . 1 . 1 42 42 GLU CB C 13 30.135 0.010 . 1 . . . . . 42 GLU CB . 50866 1
189 . 1 . 1 42 42 GLU N N 15 123.002 0.010 . 1 . . . . . 42 GLU N . 50866 1
190 . 1 . 1 43 43 VAL H H 1 8.080 0.010 . 1 . . . . . 43 VAL H . 50866 1
191 . 1 . 1 43 43 VAL C C 13 175.907 0.050 . 1 . . . . . 43 VAL C . 50866 1
192 . 1 . 1 43 43 VAL CA C 13 62.726 0.010 . 1 . . . . . 43 VAL CA . 50866 1
193 . 1 . 1 43 43 VAL CB C 13 32.655 0.010 . 1 . . . . . 43 VAL CB . 50866 1
194 . 1 . 1 43 43 VAL N N 15 120.579 0.010 . 1 . . . . . 43 VAL N . 50866 1
195 . 1 . 1 44 44 ASN H H 1 8.413 0.010 . 1 . . . . . 44 ASN H . 50866 1
196 . 1 . 1 44 44 ASN C C 13 174.298 0.050 . 1 . . . . . 44 ASN C . 50866 1
197 . 1 . 1 44 44 ASN CA C 13 53.042 0.010 . 1 . . . . . 44 ASN CA . 50866 1
198 . 1 . 1 44 44 ASN CB C 13 39.094 0.010 . 1 . . . . . 44 ASN CB . 50866 1
199 . 1 . 1 44 44 ASN N N 15 121.545 0.010 . 1 . . . . . 44 ASN N . 50866 1
200 . 1 . 1 45 45 ALA H H 1 8.090 0.010 . 1 . . . . . 45 ALA H . 50866 1
201 . 1 . 1 45 45 ALA C C 13 175.343 0.050 . 1 . . . . . 45 ALA C . 50866 1
202 . 1 . 1 45 45 ALA CA C 13 50.790 0.010 . 1 . . . . . 45 ALA CA . 50866 1
203 . 1 . 1 45 45 ALA CB C 13 18.302 0.010 . 1 . . . . . 45 ALA CB . 50866 1
204 . 1 . 1 45 45 ALA N N 15 125.340 0.010 . 1 . . . . . 45 ALA N . 50866 1
205 . 1 . 1 46 46 PRO C C 13 177.049 0.050 . 1 . . . . . 46 PRO C . 50866 1
206 . 1 . 1 46 46 PRO CA C 13 63.062 0.010 . 1 . . . . . 46 PRO CA . 50866 1
207 . 1 . 1 46 46 PRO CB C 13 31.970 0.010 . 1 . . . . . 46 PRO CB . 50866 1
208 . 1 . 1 47 47 ILE H H 1 8.229 0.010 . 1 . . . . . 47 ILE H . 50866 1
209 . 1 . 1 47 47 ILE C C 13 176.573 0.050 . 1 . . . . . 47 ILE C . 50866 1
210 . 1 . 1 47 47 ILE CA C 13 61.262 0.010 . 1 . . . . . 47 ILE CA . 50866 1
211 . 1 . 1 47 47 ILE CB C 13 38.776 0.010 . 1 . . . . . 47 ILE CB . 50866 1
212 . 1 . 1 47 47 ILE N N 15 121.075 0.010 . 1 . . . . . 47 ILE N . 50866 1
213 . 1 . 1 48 48 GLN H H 1 8.524 0.010 . 1 . . . . . 48 GLN H . 50866 1
214 . 1 . 1 48 48 GLN C C 13 176.435 0.050 . 1 . . . . . 48 GLN C . 50866 1
215 . 1 . 1 48 48 GLN CA C 13 56.077 0.010 . 1 . . . . . 48 GLN CA . 50866 1
216 . 1 . 1 48 48 GLN CB C 13 29.502 0.010 . 1 . . . . . 48 GLN CB . 50866 1
217 . 1 . 1 48 48 GLN N N 15 124.729 0.010 . 1 . . . . . 48 GLN N . 50866 1
218 . 1 . 1 49 49 GLY H H 1 8.469 0.010 . 1 . . . . . 49 GLY H . 50866 1
219 . 1 . 1 49 49 GLY C C 13 174.143 0.050 . 1 . . . . . 49 GLY C . 50866 1
220 . 1 . 1 49 49 GLY CA C 13 45.350 0.010 . 1 . . . . . 49 GLY CA . 50866 1
221 . 1 . 1 49 49 GLY N N 15 110.564 0.010 . 1 . . . . . 49 GLY N . 50866 1
222 . 1 . 1 50 50 SER H H 1 8.246 0.010 . 1 . . . . . 50 SER H . 50866 1
223 . 1 . 1 50 50 SER C C 13 174.801 0.050 . 1 . . . . . 50 SER C . 50866 1
224 . 1 . 1 50 50 SER CA C 13 58.498 0.010 . 1 . . . . . 50 SER CA . 50866 1
225 . 1 . 1 50 50 SER CB C 13 64.049 0.010 . 1 . . . . . 50 SER CB . 50866 1
226 . 1 . 1 50 50 SER N N 15 115.562 0.010 . 1 . . . . . 50 SER N . 50866 1
227 . 1 . 1 51 51 ARG H H 1 8.431 0.010 . 1 . . . . . 51 ARG H . 50866 1
228 . 1 . 1 51 51 ARG C C 13 175.953 0.050 . 1 . . . . . 51 ARG C . 50866 1
229 . 1 . 1 51 51 ARG CA C 13 56.406 0.010 . 1 . . . . . 51 ARG CA . 50866 1
230 . 1 . 1 51 51 ARG CB C 13 30.792 0.010 . 1 . . . . . 51 ARG CB . 50866 1
231 . 1 . 1 51 51 ARG N N 15 122.702 0.010 . 1 . . . . . 51 ARG N . 50866 1
232 . 1 . 1 52 52 ASN H H 1 8.445 0.010 . 1 . . . . . 52 ASN H . 50866 1
233 . 1 . 1 52 52 ASN C C 13 175.111 0.050 . 1 . . . . . 52 ASN C . 50866 1
234 . 1 . 1 52 52 ASN CA C 13 53.391 0.010 . 1 . . . . . 52 ASN CA . 50866 1
235 . 1 . 1 52 52 ASN CB C 13 38.719 0.010 . 1 . . . . . 52 ASN CB . 50866 1
236 . 1 . 1 52 52 ASN N N 15 119.614 0.010 . 1 . . . . . 52 ASN N . 50866 1
237 . 1 . 1 53 53 LEU H H 1 8.219 0.010 . 1 . . . . . 53 LEU H . 50866 1
238 . 1 . 1 53 53 LEU C C 13 177.361 0.050 . 1 . . . . . 53 LEU C . 50866 1
239 . 1 . 1 53 53 LEU CA C 13 55.425 0.010 . 1 . . . . . 53 LEU CA . 50866 1
240 . 1 . 1 53 53 LEU CB C 13 42.346 0.010 . 1 . . . . . 53 LEU CB . 50866 1
241 . 1 . 1 53 53 LEU N N 15 122.647 0.010 . 1 . . . . . 53 LEU N . 50866 1
242 . 1 . 1 54 54 LEU H H 1 8.222 0.010 . 1 . . . . . 54 LEU H . 50866 1
243 . 1 . 1 54 54 LEU C C 13 177.129 0.050 . 1 . . . . . 54 LEU C . 50866 1
244 . 1 . 1 54 54 LEU CA C 13 55.112 0.010 . 1 . . . . . 54 LEU CA . 50866 1
245 . 1 . 1 54 54 LEU CB C 13 42.260 0.010 . 1 . . . . . 54 LEU CB . 50866 1
246 . 1 . 1 54 54 LEU N N 15 122.293 0.010 . 1 . . . . . 54 LEU N . 50866 1
247 . 1 . 1 55 55 GLN H H 1 8.337 0.010 . 1 . . . . . 55 GLN H . 50866 1
248 . 1 . 1 55 55 GLN C C 13 176.470 0.050 . 1 . . . . . 55 GLN C . 50866 1
249 . 1 . 1 55 55 GLN CA C 13 55.958 0.010 . 1 . . . . . 55 GLN CA . 50866 1
250 . 1 . 1 55 55 GLN CB C 13 29.975 0.010 . 1 . . . . . 55 GLN CB . 50866 1
251 . 1 . 1 55 55 GLN N N 15 120.402 0.010 . 1 . . . . . 55 GLN N . 50866 1
252 . 1 . 1 56 56 GLY H H 1 8.523 0.010 . 1 . . . . . 56 GLY H . 50866 1
253 . 1 . 1 56 56 GLY C C 13 174.769 0.050 . 1 . . . . . 56 GLY C . 50866 1
254 . 1 . 1 56 56 GLY CA C 13 45.777 0.010 . 1 . . . . . 56 GLY CA . 50866 1
255 . 1 . 1 56 56 GLY N N 15 110.071 0.010 . 1 . . . . . 56 GLY N . 50866 1
256 . 1 . 1 57 57 GLU H H 1 8.464 0.010 . 1 . . . . . 57 GLU H . 50866 1
257 . 1 . 1 57 57 GLU C C 13 177.204 0.050 . 1 . . . . . 57 GLU C . 50866 1
258 . 1 . 1 57 57 GLU CA C 13 57.532 0.010 . 1 . . . . . 57 GLU CA . 50866 1
259 . 1 . 1 57 57 GLU CB C 13 30.194 0.010 . 1 . . . . . 57 GLU CB . 50866 1
260 . 1 . 1 57 57 GLU N N 15 121.480 0.010 . 1 . . . . . 57 GLU N . 50866 1
261 . 1 . 1 58 58 GLU H H 1 8.587 0.010 . 1 . . . . . 58 GLU H . 50866 1
262 . 1 . 1 58 58 GLU C C 13 177.247 0.050 . 1 . . . . . 58 GLU C . 50866 1
263 . 1 . 1 58 58 GLU CA C 13 57.686 0.010 . 1 . . . . . 58 GLU CA . 50866 1
264 . 1 . 1 58 58 GLU CB C 13 29.866 0.010 . 1 . . . . . 58 GLU CB . 50866 1
265 . 1 . 1 58 58 GLU N N 15 120.900 0.010 . 1 . . . . . 58 GLU N . 50866 1
266 . 1 . 1 59 59 LEU H H 1 7.959 0.010 . 1 . . . . . 59 LEU H . 50866 1
267 . 1 . 1 59 59 LEU C C 13 177.649 0.050 . 1 . . . . . 59 LEU C . 50866 1
268 . 1 . 1 59 59 LEU CA C 13 55.935 0.010 . 1 . . . . . 59 LEU CA . 50866 1
269 . 1 . 1 59 59 LEU CB C 13 42.032 0.010 . 1 . . . . . 59 LEU CB . 50866 1
270 . 1 . 1 59 59 LEU N N 15 122.016 0.010 . 1 . . . . . 59 LEU N . 50866 1
271 . 1 . 1 60 60 LEU H H 1 7.950 0.010 . 1 . . . . . 60 LEU H . 50866 1
272 . 1 . 1 60 60 LEU C C 13 177.817 0.050 . 1 . . . . . 60 LEU C . 50866 1
273 . 1 . 1 60 60 LEU CA C 13 55.839 0.010 . 1 . . . . . 60 LEU CA . 50866 1
274 . 1 . 1 60 60 LEU CB C 13 42.034 0.010 . 1 . . . . . 60 LEU CB . 50866 1
275 . 1 . 1 60 60 LEU N N 15 121.272 0.010 . 1 . . . . . 60 LEU N . 50866 1
276 . 1 . 1 61 61 ARG H H 1 8.063 0.010 . 1 . . . . . 61 ARG H . 50866 1
277 . 1 . 1 61 61 ARG C C 13 176.431 0.050 . 1 . . . . . 61 ARG C . 50866 1
278 . 1 . 1 61 61 ARG CA C 13 56.458 0.010 . 1 . . . . . 61 ARG CA . 50866 1
279 . 1 . 1 61 61 ARG CB C 13 30.849 0.010 . 1 . . . . . 61 ARG CB . 50866 1
280 . 1 . 1 61 61 ARG N N 15 120.786 0.010 . 1 . . . . . 61 ARG N . 50866 1
281 . 1 . 1 62 62 ALA H H 1 8.123 0.010 . 1 . . . . . 62 ALA H . 50866 1
282 . 1 . 1 62 62 ALA C C 13 178.194 0.050 . 1 . . . . . 62 ALA C . 50866 1
283 . 1 . 1 62 62 ALA CA C 13 52.840 0.010 . 1 . . . . . 62 ALA CA . 50866 1
284 . 1 . 1 62 62 ALA CB C 13 19.094 0.010 . 1 . . . . . 62 ALA CB . 50866 1
285 . 1 . 1 62 62 ALA N N 15 124.549 0.010 . 1 . . . . . 62 ALA N . 50866 1
286 . 1 . 1 63 63 LEU H H 1 8.132 0.010 . 1 . . . . . 63 LEU H . 50866 1
287 . 1 . 1 63 63 LEU C C 13 177.419 0.050 . 1 . . . . . 63 LEU C . 50866 1
288 . 1 . 1 63 63 LEU CA C 13 55.528 0.010 . 1 . . . . . 63 LEU CA . 50866 1
289 . 1 . 1 63 63 LEU CB C 13 42.276 0.010 . 1 . . . . . 63 LEU CB . 50866 1
290 . 1 . 1 63 63 LEU N N 15 120.547 0.010 . 1 . . . . . 63 LEU N . 50866 1
291 . 1 . 1 64 64 ASP H H 1 8.147 0.010 . 1 . . . . . 64 ASP H . 50866 1
292 . 1 . 1 64 64 ASP C C 13 176.042 0.050 . 1 . . . . . 64 ASP C . 50866 1
293 . 1 . 1 64 64 ASP CA C 13 54.512 0.010 . 1 . . . . . 64 ASP CA . 50866 1
294 . 1 . 1 64 64 ASP CB C 13 41.031 0.010 . 1 . . . . . 64 ASP CB . 50866 1
295 . 1 . 1 64 64 ASP N N 15 119.787 0.010 . 1 . . . . . 64 ASP N . 50866 1
296 . 1 . 1 65 65 GLN H H 1 8.087 0.010 . 1 . . . . . 65 GLN H . 50866 1
297 . 1 . 1 65 65 GLN C C 13 175.675 0.050 . 1 . . . . . 65 GLN C . 50866 1
298 . 1 . 1 65 65 GLN CA C 13 55.676 0.010 . 1 . . . . . 65 GLN CA . 50866 1
299 . 1 . 1 65 65 GLN CB C 13 29.646 0.010 . 1 . . . . . 65 GLN CB . 50866 1
300 . 1 . 1 65 65 GLN N N 15 119.893 0.010 . 1 . . . . . 65 GLN N . 50866 1
301 . 1 . 1 66 66 VAL H H 1 8.147 0.010 . 1 . . . . . 66 VAL H . 50866 1
302 . 1 . 1 66 66 VAL C C 13 175.162 0.050 . 1 . . . . . 66 VAL C . 50866 1
303 . 1 . 1 66 66 VAL CA C 13 62.437 0.010 . 1 . . . . . 66 VAL CA . 50866 1
304 . 1 . 1 66 66 VAL CB C 13 32.825 0.010 . 1 . . . . . 66 VAL CB . 50866 1
305 . 1 . 1 66 66 VAL N N 15 121.454 0.010 . 1 . . . . . 66 VAL N . 50866 1
306 . 1 . 1 67 67 ASN H H 1 8.070 0.010 . 1 . . . . . 67 ASN H . 50866 1
307 . 1 . 1 67 67 ASN C C 13 179.420 0.050 . 1 . . . . . 67 ASN C . 50866 1
308 . 1 . 1 67 67 ASN CA C 13 54.855 0.010 . 1 . . . . . 67 ASN CA . 50866 1
309 . 1 . 1 67 67 ASN CB C 13 40.648 0.010 . 1 . . . . . 67 ASN CB . 50866 1
310 . 1 . 1 67 67 ASN N N 15 127.574 0.010 . 1 . . . . . 67 ASN N . 50866 1
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