###################################
# 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_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 18424
_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' . . . 18424 1
2 '3D 1H-15N NOESY' . . . 18424 1
3 '3D 1H-15N TOCSY' . . . 18424 1
4 '2D DQF-COSY' . . . 18424 1
5 '2D 1H-1H NOESY' . . . 18424 1
6 '2D 1H-1H TOCSY' . . . 18424 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 2 2 2 SER H H 1 8.86 0.01 . 1 . . . . 3 SER H . 18424 1
2 . 1 2 2 2 SER N N 15 117.6 0.1 . 1 . . . . 3 SER N . 18424 1
3 . 1 2 3 3 LEU H H 1 9.23 0.01 . 1 . . . . 4 LEU H . 18424 1
4 . 1 2 3 3 LEU HA H 1 3.95 0.02 . 1 . . . . 4 LEU HA . 18424 1
5 . 1 2 3 3 LEU N N 15 124.6 0.1 . 1 . . . . 4 LEU N . 18424 1
6 . 1 2 4 4 TYR H H 1 8.32 0.01 . 1 . . . . 5 TYR H . 18424 1
7 . 1 2 4 4 TYR HA H 1 3.93 0.02 . 1 . . . . 5 TYR HA . 18424 1
8 . 1 2 4 4 TYR N N 15 116.4 0.1 . 1 . . . . 5 TYR N . 18424 1
9 . 1 2 5 5 GLU H H 1 7.96 0.01 . 1 . . . . 6 GLU H . 18424 1
10 . 1 2 5 5 GLU HA H 1 3.71 0.02 . 1 . . . . 6 GLU HA . 18424 1
11 . 1 2 5 5 GLU N N 15 118.9 0.1 . 1 . . . . 6 GLU N . 18424 1
12 . 1 2 6 6 LYS H H 1 8.59 0.01 . 1 . . . . 7 LYS H . 18424 1
13 . 1 2 6 6 LYS HA H 1 3.91 0.02 . 1 . . . . 7 LYS HA . 18424 1
14 . 1 2 6 6 LYS N N 15 122.1 0.1 . 1 . . . . 7 LYS N . 18424 1
15 . 1 2 7 7 LEU H H 1 8.25 0.01 . 1 . . . . 8 LEU H . 18424 1
16 . 1 2 7 7 LEU HA H 1 3.91 0.02 . 1 . . . . 8 LEU HA . 18424 1
17 . 1 2 7 7 LEU N N 15 116.8 0.1 . 1 . . . . 8 LEU N . 18424 1
18 . 1 2 8 8 GLY H H 1 7.31 0.01 . 1 . . . . 9 GLY H . 18424 1
19 . 1 2 8 8 GLY HA2 H 1 4.43 0.02 . 2 . . . . 9 GLY HA2 . 18424 1
20 . 1 2 8 8 GLY HA3 H 1 3.55 0.02 . 2 . . . . 9 GLY HA3 . 18424 1
21 . 1 2 8 8 GLY N N 15 101.0 0.1 . 1 . . . . 9 GLY N . 18424 1
22 . 1 2 9 9 GLY H H 1 8.18 0.01 . 1 . . . . 10 GLY H . 18424 1
23 . 1 2 9 9 GLY HA2 H 1 3.57 0.02 . 2 . . . . 10 GLY HA2 . 18424 1
24 . 1 2 9 9 GLY HA3 H 1 1.87 0.02 . 2 . . . . 10 GLY HA3 . 18424 1
25 . 1 2 9 9 GLY N N 15 110.3 0.1 . 1 . . . . 10 GLY N . 18424 1
26 . 1 2 10 10 ALA H H 1 8.55 0.01 . 1 . . . . 11 ALA H . 18424 1
27 . 1 2 10 10 ALA HA H 1 3.94 0.02 . 1 . . . . 11 ALA HA . 18424 1
28 . 1 2 10 10 ALA HB1 H 1 1.53 0.02 . 1 . . . . 11 ALA HB . 18424 1
29 . 1 2 10 10 ALA HB2 H 1 1.53 0.02 . 1 . . . . 11 ALA HB . 18424 1
30 . 1 2 10 10 ALA HB3 H 1 1.53 0.02 . 1 . . . . 11 ALA HB . 18424 1
31 . 1 2 10 10 ALA N N 15 125.7 0.1 . 1 . . . . 11 ALA N . 18424 1
32 . 1 2 11 11 ALA H H 1 8.85 0.01 . 1 . . . . 12 ALA H . 18424 1
33 . 1 2 11 11 ALA HA H 1 4.18 0.02 . 1 . . . . 12 ALA HA . 18424 1
34 . 1 2 11 11 ALA HB1 H 1 1.46 0.02 . 1 . . . . 12 ALA HB . 18424 1
35 . 1 2 11 11 ALA HB2 H 1 1.46 0.02 . 1 . . . . 12 ALA HB . 18424 1
36 . 1 2 11 11 ALA HB3 H 1 1.46 0.02 . 1 . . . . 12 ALA HB . 18424 1
37 . 1 2 11 11 ALA N N 15 118.5 0.1 . 1 . . . . 12 ALA N . 18424 1
38 . 1 2 12 12 ALA H H 1 6.78 0.01 . 1 . . . . 13 ALA H . 18424 1
39 . 1 2 12 12 ALA HA H 1 4.20 0.02 . 1 . . . . 13 ALA HA . 18424 1
40 . 1 2 12 12 ALA HB1 H 1 1.30 0.02 . 1 . . . . 13 ALA HB . 18424 1
41 . 1 2 12 12 ALA HB2 H 1 1.30 0.02 . 1 . . . . 13 ALA HB . 18424 1
42 . 1 2 12 12 ALA HB3 H 1 1.30 0.02 . 1 . . . . 13 ALA HB . 18424 1
43 . 1 2 12 12 ALA N N 15 120.3 0.1 . 1 . . . . 13 ALA N . 18424 1
44 . 1 2 13 13 VAL H H 1 8.00 0.01 . 1 . . . . 14 VAL H . 18424 1
45 . 1 2 13 13 VAL HA H 1 3.53 0.02 . 1 . . . . 14 VAL HA . 18424 1
46 . 1 2 13 13 VAL HB H 1 2.16 0.02 . 1 . . . . 14 VAL HB . 18424 1
47 . 1 2 13 13 VAL N N 15 118.5 0.1 . 1 . . . . 14 VAL N . 18424 1
48 . 1 2 14 14 ASP H H 1 8.33 0.01 . 1 . . . . 15 ASP H . 18424 1
49 . 1 2 14 14 ASP HA H 1 4.15 0.02 . 1 . . . . 15 ASP HA . 18424 1
50 . 1 2 14 14 ASP N N 15 119.2 0.1 . 1 . . . . 15 ASP N . 18424 1
51 . 1 2 15 15 LEU H H 1 7.41 0.01 . 1 . . . . 16 LEU H . 18424 1
52 . 1 2 15 15 LEU HA H 1 4.18 0.02 . 1 . . . . 16 LEU HA . 18424 1
53 . 1 2 15 15 LEU N N 15 117.6 0.1 . 1 . . . . 16 LEU N . 18424 1
54 . 1 2 16 16 ALA H H 1 8.65 0.01 . 1 . . . . 17 ALA H . 18424 1
55 . 1 2 16 16 ALA HA H 1 3.94 0.02 . 1 . . . . 17 ALA HA . 18424 1
56 . 1 2 16 16 ALA HB1 H 1 1.40 0.02 . 1 . . . . 17 ALA HB . 18424 1
57 . 1 2 16 16 ALA HB2 H 1 1.40 0.02 . 1 . . . . 17 ALA HB . 18424 1
58 . 1 2 16 16 ALA HB3 H 1 1.40 0.02 . 1 . . . . 17 ALA HB . 18424 1
59 . 1 2 16 16 ALA N N 15 119.4 0.1 . 1 . . . . 17 ALA N . 18424 1
60 . 1 2 17 17 VAL H H 1 8.74 0.01 . 1 . . . . 18 VAL H . 18424 1
61 . 1 2 17 17 VAL HA H 1 3.94 0.02 . 1 . . . . 18 VAL HA . 18424 1
62 . 1 2 17 17 VAL HB H 1 2.38 0.02 . 1 . . . . 18 VAL HB . 18424 1
63 . 1 2 17 17 VAL N N 15 117.0 0.1 . 1 . . . . 18 VAL N . 18424 1
64 . 1 2 18 18 GLU H H 1 8.19 0.01 . 1 . . . . 19 GLU H . 18424 1
65 . 1 2 18 18 GLU HA H 1 4.17 0.02 . 1 . . . . 19 GLU HA . 18424 1
66 . 1 2 18 18 GLU N N 15 119.2 0.1 . 1 . . . . 19 GLU N . 18424 1
67 . 1 2 19 19 LYS H H 1 8.53 0.01 . 1 . . . . 20 LYS H . 18424 1
68 . 1 2 19 19 LYS HA H 1 4.23 0.02 . 1 . . . . 20 LYS HA . 18424 1
69 . 1 2 19 19 LYS N N 15 120.2 0.1 . 1 . . . . 20 LYS N . 18424 1
70 . 1 2 20 20 PHE H H 1 9.33 0.01 . 1 . . . . 21 PHE H . 18424 1
71 . 1 2 20 20 PHE HA H 1 4.78 0.02 . 1 . . . . 21 PHE HA . 18424 1
72 . 1 2 20 20 PHE N N 15 123.5 0.1 . 1 . . . . 21 PHE N . 18424 1
73 . 1 2 21 21 TYR H H 1 8.68 0.01 . 1 . . . . 22 TYR H . 18424 1
74 . 1 2 21 21 TYR HA H 1 4.27 0.02 . 1 . . . . 22 TYR HA . 18424 1
75 . 1 2 21 21 TYR N N 15 116.4 0.1 . 1 . . . . 22 TYR N . 18424 1
76 . 1 2 22 22 GLY H H 1 7.88 0.01 . 1 . . . . 23 GLY H . 18424 1
77 . 1 2 22 22 GLY N N 15 107.9 0.1 . 1 . . . . 23 GLY N . 18424 1
78 . 1 2 23 23 LYS H H 1 7.54 0.01 . 1 . . . . 24 LYS H . 18424 1
79 . 1 2 23 23 LYS HA H 1 4.09 0.02 . 1 . . . . 24 LYS HA . 18424 1
80 . 1 2 23 23 LYS N N 15 121.2 0.1 . 1 . . . . 24 LYS N . 18424 1
81 . 1 2 24 24 VAL H H 1 8.52 0.01 . 1 . . . . 25 VAL H . 18424 1
82 . 1 2 24 24 VAL HA H 1 3.18 0.02 . 1 . . . . 25 VAL HA . 18424 1
83 . 1 2 24 24 VAL HB H 1 1.83 0.02 . 1 . . . . 25 VAL HB . 18424 1
84 . 1 2 24 24 VAL N N 15 120.9 0.1 . 1 . . . . 25 VAL N . 18424 1
85 . 1 2 25 25 LEU H H 1 8.30 0.01 . 1 . . . . 26 LEU H . 18424 1
86 . 1 2 25 25 LEU HA H 1 4.01 0.02 . 1 . . . . 26 LEU HA . 18424 1
87 . 1 2 25 25 LEU N N 15 114.6 0.1 . 1 . . . . 26 LEU N . 18424 1
88 . 1 2 26 26 ALA H H 1 7.11 0.01 . 1 . . . . 27 ALA H . 18424 1
89 . 1 2 26 26 ALA HA H 1 4.57 0.02 . 1 . . . . 27 ALA HA . 18424 1
90 . 1 2 26 26 ALA HB1 H 1 1.47 0.02 . 1 . . . . 27 ALA HB . 18424 1
91 . 1 2 26 26 ALA HB2 H 1 1.47 0.02 . 1 . . . . 27 ALA HB . 18424 1
92 . 1 2 26 26 ALA HB3 H 1 1.47 0.02 . 1 . . . . 27 ALA HB . 18424 1
93 . 1 2 26 26 ALA N N 15 121.0 0.1 . 1 . . . . 27 ALA N . 18424 1
94 . 1 2 27 27 ASP H H 1 7.42 0.01 . 1 . . . . 28 ASP H . 18424 1
95 . 1 2 27 27 ASP HA H 1 4.63 0.02 . 1 . . . . 28 ASP HA . 18424 1
96 . 1 2 27 27 ASP N N 15 121.0 0.1 . 1 . . . . 28 ASP N . 18424 1
97 . 1 2 28 28 GLU H H 1 9.12 0.01 . 1 . . . . 29 GLU H . 18424 1
98 . 1 2 28 28 GLU HA H 1 4.18 0.02 . 1 . . . . 29 GLU HA . 18424 1
99 . 1 2 28 28 GLU N N 15 127.8 0.1 . 1 . . . . 29 GLU N . 18424 1
100 . 1 2 29 29 ARG H H 1 8.77 0.01 . 1 . . . . 30 ARG H . 18424 1
101 . 1 2 29 29 ARG HA H 1 4.18 0.02 . 1 . . . . 30 ARG HA . 18424 1
102 . 1 2 29 29 ARG N N 15 117.8 0.1 . 1 . . . . 30 ARG N . 18424 1
103 . 1 2 30 30 VAL H H 1 7.28 0.01 . 1 . . . . 31 VAL H . 18424 1
104 . 1 2 30 30 VAL HA H 1 4.89 0.02 . 1 . . . . 31 VAL HA . 18424 1
105 . 1 2 30 30 VAL HB H 1 2.25 0.02 . 1 . . . . 31 VAL HB . 18424 1
106 . 1 2 30 30 VAL N N 15 102.2 0.1 . 1 . . . . 31 VAL N . 18424 1
107 . 1 2 31 31 ASN H H 1 8.89 0.01 . 1 . . . . 32 ASN H . 18424 1
108 . 1 2 31 31 ASN HA H 1 4.17 0.02 . 1 . . . . 32 ASN HA . 18424 1
109 . 1 2 31 31 ASN HD21 H 1 6.72 0.01 . 2 . . . . 32 ASN HD21 . 18424 1
110 . 1 2 31 31 ASN HD22 H 1 6.81 0.01 . 2 . . . . 32 ASN HD22 . 18424 1
111 . 1 2 31 31 ASN N N 15 122.7 0.1 . 1 . . . . 32 ASN N . 18424 1
112 . 1 2 31 31 ASN ND2 N 15 106.0 0.1 . 1 . . . . 32 ASN ND2 . 18424 1
113 . 1 2 32 32 ARG H H 1 8.52 0.01 . 1 . . . . 33 ARG H . 18424 1
114 . 1 2 32 32 ARG HA H 1 4.13 0.02 . 1 . . . . 33 ARG HA . 18424 1
115 . 1 2 32 32 ARG N N 15 121.5 0.1 . 1 . . . . 33 ARG N . 18424 1
116 . 1 2 33 33 PHE H H 1 7.59 0.01 . 1 . . . . 34 PHE H . 18424 1
117 . 1 2 33 33 PHE HA H 1 3.98 0.02 . 1 . . . . 34 PHE HA . 18424 1
118 . 1 2 33 33 PHE N N 15 116.3 0.1 . 1 . . . . 34 PHE N . 18424 1
119 . 1 2 34 34 PHE H H 1 7.47 0.01 . 1 . . . . 35 PHE H . 18424 1
120 . 1 2 34 34 PHE HA H 1 3.81 0.02 . 1 . . . . 35 PHE HA . 18424 1
121 . 1 2 34 34 PHE N N 15 114.1 0.1 . 1 . . . . 35 PHE N . 18424 1
122 . 1 2 35 35 VAL H H 1 6.95 0.01 . 1 . . . . 36 VAL H . 18424 1
123 . 1 2 35 35 VAL HA H 1 3.93 0.02 . 1 . . . . 36 VAL HA . 18424 1
124 . 1 2 35 35 VAL HB H 1 2.11 0.02 . 1 . . . . 36 VAL HB . 18424 1
125 . 1 2 35 35 VAL N N 15 118.3 0.1 . 1 . . . . 36 VAL N . 18424 1
126 . 1 2 36 36 ASN H H 1 8.49 0.01 . 1 . . . . 37 ASN H . 18424 1
127 . 1 2 36 36 ASN HA H 1 5.08 0.02 . 1 . . . . 37 ASN HA . 18424 1
128 . 1 2 36 36 ASN HD21 H 1 6.88 0.01 . 2 . . . . 37 ASN HD21 . 18424 1
129 . 1 2 36 36 ASN HD22 H 1 7.67 0.01 . 2 . . . . 37 ASN HD22 . 18424 1
130 . 1 2 36 36 ASN N N 15 117.4 0.1 . 1 . . . . 37 ASN N . 18424 1
131 . 1 2 36 36 ASN ND2 N 15 114.1 0.1 . 1 . . . . 37 ASN ND2 . 18424 1
132 . 1 2 37 37 THR H H 1 7.52 0.01 . 1 . . . . 38 THR H . 18424 1
133 . 1 2 37 37 THR HA H 1 4.13 0.02 . 1 . . . . 38 THR HA . 18424 1
134 . 1 2 37 37 THR HB H 1 4.09 0.02 . 1 . . . . 38 THR HB . 18424 1
135 . 1 2 37 37 THR N N 15 119.8 0.1 . 1 . . . . 38 THR N . 18424 1
136 . 1 2 38 38 ASP H H 1 8.59 0.01 . 1 . . . . 39 ASP H . 18424 1
137 . 1 2 38 38 ASP HA H 1 4.53 0.02 . 1 . . . . 39 ASP HA . 18424 1
138 . 1 2 38 38 ASP N N 15 125.7 0.1 . 1 . . . . 39 ASP N . 18424 1
139 . 1 2 39 39 MET H H 1 8.77 0.01 . 1 . . . . 40 MET H . 18424 1
140 . 1 2 39 39 MET HA H 1 4.50 0.02 . 1 . . . . 40 MET HA . 18424 1
141 . 1 2 39 39 MET N N 15 127.5 0.1 . 1 . . . . 40 MET N . 18424 1
142 . 1 2 40 40 ALA H H 1 8.14 0.01 . 1 . . . . 41 ALA H . 18424 1
143 . 1 2 40 40 ALA HA H 1 4.07 0.02 . 1 . . . . 41 ALA HA . 18424 1
144 . 1 2 40 40 ALA HB1 H 1 1.43 0.02 . 1 . . . . 41 ALA HB . 18424 1
145 . 1 2 40 40 ALA HB2 H 1 1.43 0.02 . 1 . . . . 41 ALA HB . 18424 1
146 . 1 2 40 40 ALA HB3 H 1 1.43 0.02 . 1 . . . . 41 ALA HB . 18424 1
147 . 1 2 40 40 ALA N N 15 124.0 0.1 . 1 . . . . 41 ALA N . 18424 1
148 . 1 2 41 41 LYS H H 1 7.25 0.01 . 1 . . . . 42 LYS H . 18424 1
149 . 1 2 41 41 LYS HA H 1 3.68 0.02 . 1 . . . . 42 LYS HA . 18424 1
150 . 1 2 41 41 LYS N N 15 119.9 0.1 . 1 . . . . 42 LYS N . 18424 1
151 . 1 2 42 42 GLN H H 1 8.28 0.01 . 1 . . . . 43 GLN H . 18424 1
152 . 1 2 42 42 GLN HA H 1 3.29 0.02 . 1 . . . . 43 GLN HA . 18424 1
153 . 1 2 42 42 GLN HE21 H 1 -3.41 0.01 . 2 . . . . 43 GLN HE21 . 18424 1
154 . 1 2 42 42 GLN HE22 H 1 5.97 0.01 . 2 . . . . 43 GLN HE22 . 18424 1
155 . 1 2 42 42 GLN N N 15 119.3 0.1 . 1 . . . . 43 GLN N . 18424 1
156 . 1 2 42 42 GLN NE2 N 15 102.0 0.1 . 1 . . . . 43 GLN NE2 . 18424 1
157 . 1 2 43 43 LYS H H 1 8.39 0.01 . 1 . . . . 44 LYS H . 18424 1
158 . 1 2 43 43 LYS HA H 1 4.03 0.02 . 1 . . . . 44 LYS HA . 18424 1
159 . 1 2 43 43 LYS N N 15 117.2 0.1 . 1 . . . . 44 LYS N . 18424 1
160 . 1 2 44 44 GLN H H 1 7.01 0.01 . 1 . . . . 45 GLN H . 18424 1
161 . 1 2 44 44 GLN HA H 1 3.89 0.02 . 1 . . . . 45 GLN HA . 18424 1
162 . 1 2 44 44 GLN HE21 H 1 7.07 0.01 . 2 . . . . 45 GLN HE21 . 18424 1
163 . 1 2 44 44 GLN HE22 H 1 7.74 0.01 . 2 . . . . 45 GLN HE22 . 18424 1
164 . 1 2 44 44 GLN N N 15 118.4 0.1 . 1 . . . . 45 GLN N . 18424 1
165 . 1 2 44 44 GLN NE2 N 15 117.5 0.1 . 1 . . . . 45 GLN NE2 . 18424 1
166 . 1 2 45 45 HIS H H 1 8.33 0.01 . 1 . . . . 46 HIS H . 18424 1
167 . 1 2 45 45 HIS HA H 1 4.44 0.02 . 1 . . . . 46 HIS HA . 18424 1
168 . 1 2 45 45 HIS N N 15 117.4 0.1 . 1 . . . . 46 HIS N . 18424 1
169 . 1 2 46 46 GLN H H 1 8.71 0.01 . 1 . . . . 47 GLN H . 18424 1
170 . 1 2 46 46 GLN HA H 1 4.34 0.02 . 1 . . . . 47 GLN HA . 18424 1
171 . 1 2 46 46 GLN HE22 H 1 9.71 0.01 . 2 . . . . 47 GLN HE22 . 18424 1
172 . 1 2 46 46 GLN N N 15 120.1 0.1 . 1 . . . . 47 GLN N . 18424 1
173 . 1 2 46 46 GLN NE2 N 15 99.0 0.1 . 1 . . . . 47 GLN NE2 . 18424 1
174 . 1 2 47 47 LYS H H 1 8.48 0.01 . 1 . . . . 48 LYS H . 18424 1
175 . 1 2 47 47 LYS HA H 1 3.89 0.02 . 1 . . . . 48 LYS HA . 18424 1
176 . 1 2 47 47 LYS N N 15 121.0 0.1 . 1 . . . . 48 LYS N . 18424 1
177 . 1 2 48 48 ASP H H 1 8.62 0.01 . 1 . . . . 49 ASP H . 18424 1
178 . 1 2 48 48 ASP HA H 1 4.35 0.02 . 1 . . . . 49 ASP HA . 18424 1
179 . 1 2 48 48 ASP N N 15 122.7 0.1 . 1 . . . . 49 ASP N . 18424 1
180 . 1 2 49 49 PHE H H 1 8.92 0.01 . 1 . . . . 50 PHE H . 18424 1
181 . 1 2 49 49 PHE HA H 1 3.50 0.02 . 1 . . . . 50 PHE HA . 18424 1
182 . 1 2 49 49 PHE N N 15 124.3 0.1 . 1 . . . . 50 PHE N . 18424 1
183 . 1 2 50 50 MET H H 1 9.17 0.01 . 1 . . . . 51 MET H . 18424 1
184 . 1 2 50 50 MET HA H 1 3.02 0.02 . 1 . . . . 51 MET HA . 18424 1
185 . 1 2 50 50 MET N N 15 118.9 0.1 . 1 . . . . 51 MET N . 18424 1
186 . 1 2 51 51 THR H H 1 7.87 0.01 . 1 . . . . 52 THR H . 18424 1
187 . 1 2 51 51 THR HA H 1 3.48 0.02 . 1 . . . . 52 THR HA . 18424 1
188 . 1 2 51 51 THR HB H 1 4.24 0.02 . 1 . . . . 52 THR HB . 18424 1
189 . 1 2 51 51 THR HG21 H 1 1.06 0.02 . 1 . . . . 52 THR HG2 . 18424 1
190 . 1 2 51 51 THR HG22 H 1 1.06 0.02 . 1 . . . . 52 THR HG2 . 18424 1
191 . 1 2 51 51 THR HG23 H 1 1.06 0.02 . 1 . . . . 52 THR HG2 . 18424 1
192 . 1 2 51 51 THR N N 15 114.8 0.1 . 1 . . . . 52 THR N . 18424 1
193 . 1 2 52 52 TYR H H 1 7.05 0.01 . 1 . . . . 53 TYR H . 18424 1
194 . 1 2 52 52 TYR HA H 1 4.28 0.02 . 1 . . . . 53 TYR HA . 18424 1
195 . 1 2 52 52 TYR N N 15 122.0 0.1 . 1 . . . . 53 TYR N . 18424 1
196 . 1 2 53 53 ALA H H 1 8.98 0.01 . 1 . . . . 54 ALA H . 18424 1
197 . 1 2 53 53 ALA HA H 1 3.26 0.02 . 1 . . . . 54 ALA HA . 18424 1
198 . 1 2 53 53 ALA HB1 H 1 0.63 0.02 . 1 . . . . 54 ALA HB . 18424 1
199 . 1 2 53 53 ALA HB2 H 1 0.63 0.02 . 1 . . . . 54 ALA HB . 18424 1
200 . 1 2 53 53 ALA HB3 H 1 0.63 0.02 . 1 . . . . 54 ALA HB . 18424 1
201 . 1 2 53 53 ALA N N 15 125.0 0.1 . 1 . . . . 54 ALA N . 18424 1
202 . 1 2 54 54 PHE H H 1 7.99 0.01 . 1 . . . . 55 PHE H . 18424 1
203 . 1 2 54 54 PHE HA H 1 4.92 0.02 . 1 . . . . 55 PHE HA . 18424 1
204 . 1 2 54 54 PHE N N 15 112.2 0.1 . 1 . . . . 55 PHE N . 18424 1
205 . 1 2 55 55 GLY H H 1 7.94 0.01 . 1 . . . . 56 GLY H . 18424 1
206 . 1 2 55 55 GLY HA2 H 1 4.24 0.02 . 2 . . . . 56 GLY HA2 . 18424 1
207 . 1 2 55 55 GLY HA3 H 1 3.91 0.02 . 2 . . . . 56 GLY HA3 . 18424 1
208 . 1 2 55 55 GLY N N 15 107.8 0.1 . 1 . . . . 56 GLY N . 18424 1
209 . 1 2 56 56 GLY H H 1 8.86 0.01 . 1 . . . . 57 GLY H . 18424 1
210 . 1 2 56 56 GLY HA2 H 1 3.80 0.02 . 2 . . . . 57 GLY HA2 . 18424 1
211 . 1 2 56 56 GLY HA3 H 1 2.30 0.02 . 2 . . . . 57 GLY HA3 . 18424 1
212 . 1 2 56 56 GLY N N 15 108.5 0.1 . 1 . . . . 57 GLY N . 18424 1
213 . 1 2 57 57 THR H H 1 7.14 0.01 . 1 . . . . 58 THR H . 18424 1
214 . 1 2 57 57 THR HA H 1 4.48 0.02 . 1 . . . . 58 THR HA . 18424 1
215 . 1 2 57 57 THR HB H 1 4.17 0.02 . 1 . . . . 58 THR HB . 18424 1
216 . 1 2 57 57 THR N N 15 111.3 0.1 . 1 . . . . 58 THR N . 18424 1
217 . 1 2 58 58 ASP H H 1 8.31 0.01 . 1 . . . . 59 ASP H . 18424 1
218 . 1 2 58 58 ASP HA H 1 4.75 0.02 . 1 . . . . 59 ASP HA . 18424 1
219 . 1 2 58 58 ASP N N 15 119.6 0.1 . 1 . . . . 59 ASP N . 18424 1
220 . 1 2 59 59 ARG H H 1 7.57 0.01 . 1 . . . . 60 ARG H . 18424 1
221 . 1 2 59 59 ARG HA H 1 4.35 0.02 . 1 . . . . 60 ARG HA . 18424 1
222 . 1 2 59 59 ARG N N 15 118.5 0.1 . 1 . . . . 60 ARG N . 18424 1
223 . 1 2 60 60 PHE H H 1 8.33 0.01 . 1 . . . . 61 PHE H . 18424 1
224 . 1 2 60 60 PHE HA H 1 4.52 0.02 . 1 . . . . 61 PHE HA . 18424 1
225 . 1 2 60 60 PHE N N 15 124.1 0.1 . 1 . . . . 61 PHE N . 18424 1
226 . 1 2 62 62 GLY H H 1 5.28 0.01 . 1 . . . . 63 GLY H . 18424 1
227 . 1 2 62 62 GLY N N 15 104.9 0.1 . 1 . . . . 63 GLY N . 18424 1
228 . 1 2 63 63 ARG H H 1 7.90 0.01 . 1 . . . . 64 ARG H . 18424 1
229 . 1 2 63 63 ARG HA H 1 3.99 0.02 . 1 . . . . 64 ARG HA . 18424 1
230 . 1 2 63 63 ARG N N 15 120.6 0.1 . 1 . . . . 64 ARG N . 18424 1
231 . 1 2 64 64 SER H H 1 8.18 0.01 . 1 . . . . 65 SER H . 18424 1
232 . 1 2 64 64 SER HA H 1 4.35 0.02 . 1 . . . . 65 SER HA . 18424 1
233 . 1 2 64 64 SER N N 15 113.2 0.1 . 1 . . . . 65 SER N . 18424 1
234 . 1 2 65 65 MET H H 1 9.32 0.01 . 1 . . . . 66 MET H . 18424 1
235 . 1 2 65 65 MET HA H 1 4.90 0.02 . 1 . . . . 66 MET HA . 18424 1
236 . 1 2 65 65 MET N N 15 119.6 0.1 . 1 . . . . 66 MET N . 18424 1
237 . 1 2 66 66 ARG H H 1 8.79 0.01 . 1 . . . . 67 ARG H . 18424 1
238 . 1 2 66 66 ARG HA H 1 5.20 0.02 . 1 . . . . 67 ARG HA . 18424 1
239 . 1 2 66 66 ARG N N 15 121.0 0.1 . 1 . . . . 67 ARG N . 18424 1
240 . 1 2 67 67 ALA H H 1 8.04 0.01 . 1 . . . . 68 ALA H . 18424 1
241 . 1 2 67 67 ALA HA H 1 4.43 0.02 . 1 . . . . 68 ALA HA . 18424 1
242 . 1 2 67 67 ALA HB1 H 1 1.54 0.02 . 1 . . . . 68 ALA HB . 18424 1
243 . 1 2 67 67 ALA HB2 H 1 1.54 0.02 . 1 . . . . 68 ALA HB . 18424 1
244 . 1 2 67 67 ALA HB3 H 1 1.54 0.02 . 1 . . . . 68 ALA HB . 18424 1
245 . 1 2 67 67 ALA N N 15 122.1 0.1 . 1 . . . . 68 ALA N . 18424 1
246 . 1 2 68 68 ALA H H 1 9.29 0.01 . 1 . . . . 69 ALA H . 18424 1
247 . 1 2 68 68 ALA HA H 1 3.70 0.02 . 1 . . . . 69 ALA HA . 18424 1
248 . 1 2 68 68 ALA HB1 H 1 0.21 0.02 . 1 . . . . 69 ALA HB . 18424 1
249 . 1 2 68 68 ALA HB2 H 1 0.21 0.02 . 1 . . . . 69 ALA HB . 18424 1
250 . 1 2 68 68 ALA HB3 H 1 0.21 0.02 . 1 . . . . 69 ALA HB . 18424 1
251 . 1 2 68 68 ALA N N 15 117.4 0.1 . 1 . . . . 69 ALA N . 18424 1
252 . 1 2 69 69 HIS H H 1 8.47 0.01 . 1 . . . . 70 HIS H . 18424 1
253 . 1 2 69 69 HIS HA H 1 6.74 0.02 . 1 . . . . 70 HIS HA . 18424 1
254 . 1 2 69 69 HIS N N 15 110.9 0.1 . 1 . . . . 70 HIS N . 18424 1
255 . 1 2 70 70 GLN H H 1 8.26 0.01 . 1 . . . . 71 GLN H . 18424 1
256 . 1 2 70 70 GLN HA H 1 4.56 0.02 . 1 . . . . 71 GLN HA . 18424 1
257 . 1 2 70 70 GLN HE21 H 1 6.82 0.01 . 2 . . . . 71 GLN HE21 . 18424 1
258 . 1 2 70 70 GLN HE22 H 1 7.86 0.01 . 2 . . . . 71 GLN HE22 . 18424 1
259 . 1 2 70 70 GLN N N 15 124.8 0.1 . 1 . . . . 71 GLN N . 18424 1
260 . 1 2 70 70 GLN NE2 N 15 111.7 0.1 . 1 . . . . 71 GLN NE2 . 18424 1
261 . 1 2 71 71 ASP H H 1 9.29 0.01 . 1 . . . . 72 ASP H . 18424 1
262 . 1 2 71 71 ASP HA H 1 4.65 0.02 . 1 . . . . 72 ASP HA . 18424 1
263 . 1 2 71 71 ASP N N 15 119.0 0.1 . 1 . . . . 72 ASP N . 18424 1
264 . 1 2 72 72 LEU H H 1 7.99 0.01 . 1 . . . . 73 LEU H . 18424 1
265 . 1 2 72 72 LEU HA H 1 4.45 0.02 . 1 . . . . 73 LEU HA . 18424 1
266 . 1 2 72 72 LEU N N 15 117.9 0.1 . 1 . . . . 73 LEU N . 18424 1
267 . 1 2 73 73 VAL H H 1 8.31 0.01 . 1 . . . . 74 VAL H . 18424 1
268 . 1 2 73 73 VAL HA H 1 3.83 0.02 . 1 . . . . 74 VAL HA . 18424 1
269 . 1 2 73 73 VAL HB H 1 2.54 0.02 . 1 . . . . 74 VAL HB . 18424 1
270 . 1 2 73 73 VAL N N 15 121.3 0.1 . 1 . . . . 74 VAL N . 18424 1
271 . 1 2 74 74 GLU H H 1 8.54 0.01 . 1 . . . . 75 GLU H . 18424 1
272 . 1 2 74 74 GLU HA H 1 4.18 0.02 . 1 . . . . 75 GLU HA . 18424 1
273 . 1 2 74 74 GLU N N 15 117.3 0.1 . 1 . . . . 75 GLU N . 18424 1
274 . 1 2 75 75 ASN H H 1 8.55 0.01 . 1 . . . . 76 ASN H . 18424 1
275 . 1 2 75 75 ASN HA H 1 5.17 0.02 . 1 . . . . 76 ASN HA . 18424 1
276 . 1 2 75 75 ASN HD21 H 1 7.21 0.01 . 2 . . . . 76 ASN HD21 . 18424 1
277 . 1 2 75 75 ASN HD22 H 1 7.95 0.01 . 2 . . . . 76 ASN HD22 . 18424 1
278 . 1 2 75 75 ASN N N 15 111.7 0.1 . 1 . . . . 76 ASN N . 18424 1
279 . 1 2 75 75 ASN ND2 N 15 116.6 0.1 . 1 . . . . 76 ASN ND2 . 18424 1
280 . 1 2 76 76 ALA H H 1 7.70 0.01 . 1 . . . . 77 ALA H . 18424 1
281 . 1 2 76 76 ALA HA H 1 4.91 0.02 . 1 . . . . 77 ALA HA . 18424 1
282 . 1 2 76 76 ALA HB1 H 1 1.65 0.02 . 1 . . . . 77 ALA HB . 18424 1
283 . 1 2 76 76 ALA HB2 H 1 1.65 0.02 . 1 . . . . 77 ALA HB . 18424 1
284 . 1 2 76 76 ALA HB3 H 1 1.65 0.02 . 1 . . . . 77 ALA HB . 18424 1
285 . 1 2 76 76 ALA N N 15 121.7 0.1 . 1 . . . . 77 ALA N . 18424 1
286 . 1 2 77 77 GLY H H 1 8.01 0.01 . 1 . . . . 78 GLY H . 18424 1
287 . 1 2 77 77 GLY N N 15 107.3 0.1 . 1 . . . . 78 GLY N . 18424 1
288 . 1 2 78 78 LEU H H 1 7.32 0.01 . 1 . . . . 79 LEU H . 18424 1
289 . 1 2 78 78 LEU HA H 1 4.12 0.02 . 1 . . . . 79 LEU HA . 18424 1
290 . 1 2 78 78 LEU N N 15 120.7 0.1 . 1 . . . . 79 LEU N . 18424 1
291 . 1 2 79 79 THR H H 1 11.10 0.01 . 1 . . . . 80 THR H . 18424 1
292 . 1 2 79 79 THR HA H 1 4.64 0.02 . 1 . . . . 80 THR HA . 18424 1
293 . 1 2 79 79 THR HB H 1 4.23 0.02 . 1 . . . . 80 THR HB . 18424 1
294 . 1 2 79 79 THR HG21 H 1 1.35 0.02 . 1 . . . . 80 THR HG2 . 18424 1
295 . 1 2 79 79 THR HG22 H 1 1.35 0.02 . 1 . . . . 80 THR HG2 . 18424 1
296 . 1 2 79 79 THR HG23 H 1 1.35 0.02 . 1 . . . . 80 THR HG2 . 18424 1
297 . 1 2 79 79 THR N N 15 126.4 0.1 . 1 . . . . 80 THR N . 18424 1
298 . 1 2 80 80 ASP H H 1 8.73 0.01 . 1 . . . . 81 ASP H . 18424 1
299 . 1 2 80 80 ASP HA H 1 3.78 0.02 . 1 . . . . 81 ASP HA . 18424 1
300 . 1 2 80 80 ASP N N 15 121.5 0.1 . 1 . . . . 81 ASP N . 18424 1
301 . 1 2 81 81 VAL H H 1 7.83 0.01 . 1 . . . . 82 VAL H . 18424 1
302 . 1 2 81 81 VAL HA H 1 3.80 0.02 . 1 . . . . 82 VAL HA . 18424 1
303 . 1 2 81 81 VAL HB H 1 1.74 0.02 . 1 . . . . 82 VAL HB . 18424 1
304 . 1 2 81 81 VAL N N 15 114.4 0.1 . 1 . . . . 82 VAL N . 18424 1
305 . 1 2 82 82 HIS H H 1 6.60 0.01 . 1 . . . . 83 HIS H . 18424 1
306 . 1 2 82 82 HIS HA H 1 3.64 0.02 . 1 . . . . 83 HIS HA . 18424 1
307 . 1 2 82 82 HIS N N 15 121.2 0.1 . 1 . . . . 83 HIS N . 18424 1
308 . 1 2 83 83 PHE H H 1 6.95 0.01 . 1 . . . . 84 PHE H . 18424 1
309 . 1 2 83 83 PHE HA H 1 2.58 0.02 . 1 . . . . 84 PHE HA . 18424 1
310 . 1 2 83 83 PHE N N 15 119.8 0.1 . 1 . . . . 84 PHE N . 18424 1
311 . 1 2 84 84 ASP H H 1 8.64 0.01 . 1 . . . . 85 ASP H . 18424 1
312 . 1 2 84 84 ASP HA H 1 4.17 0.02 . 1 . . . . 85 ASP HA . 18424 1
313 . 1 2 84 84 ASP N N 15 118.2 0.1 . 1 . . . . 85 ASP N . 18424 1
314 . 1 2 85 85 ALA H H 1 7.40 0.01 . 1 . . . . 86 ALA H . 18424 1
315 . 1 2 85 85 ALA HA H 1 3.93 0.02 . 1 . . . . 86 ALA HA . 18424 1
316 . 1 2 85 85 ALA HB1 H 1 1.18 0.02 . 1 . . . . 86 ALA HB . 18424 1
317 . 1 2 85 85 ALA HB2 H 1 1.18 0.02 . 1 . . . . 86 ALA HB . 18424 1
318 . 1 2 85 85 ALA HB3 H 1 1.18 0.02 . 1 . . . . 86 ALA HB . 18424 1
319 . 1 2 85 85 ALA N N 15 122.2 0.1 . 1 . . . . 86 ALA N . 18424 1
320 . 1 2 86 86 ILE H H 1 7.25 0.01 . 1 . . . . 87 ILE H . 18424 1
321 . 1 2 86 86 ILE HA H 1 3.46 0.02 . 1 . . . . 87 ILE HA . 18424 1
322 . 1 2 86 86 ILE HB H 1 1.06 0.02 . 1 . . . . 87 ILE HB . 18424 1
323 . 1 2 86 86 ILE N N 15 120.8 0.1 . 1 . . . . 87 ILE N . 18424 1
324 . 1 2 87 87 ALA H H 1 7.59 0.01 . 1 . . . . 88 ALA H . 18424 1
325 . 1 2 87 87 ALA HA H 1 3.59 0.02 . 1 . . . . 88 ALA HA . 18424 1
326 . 1 2 87 87 ALA HB1 H 1 1.14 0.02 . 1 . . . . 88 ALA HB . 18424 1
327 . 1 2 87 87 ALA HB2 H 1 1.14 0.02 . 1 . . . . 88 ALA HB . 18424 1
328 . 1 2 87 87 ALA HB3 H 1 1.14 0.02 . 1 . . . . 88 ALA HB . 18424 1
329 . 1 2 87 87 ALA N N 15 122.4 0.1 . 1 . . . . 88 ALA N . 18424 1
330 . 1 2 88 88 GLU H H 1 8.21 0.01 . 1 . . . . 89 GLU H . 18424 1
331 . 1 2 88 88 GLU HA H 1 3.89 0.02 . 1 . . . . 89 GLU HA . 18424 1
332 . 1 2 88 88 GLU N N 15 118.4 0.1 . 1 . . . . 89 GLU N . 18424 1
333 . 1 2 89 89 ASN H H 1 8.04 0.01 . 1 . . . . 90 ASN H . 18424 1
334 . 1 2 89 89 ASN HA H 1 4.54 0.02 . 1 . . . . 90 ASN HA . 18424 1
335 . 1 2 89 89 ASN HD21 H 1 8.85 0.01 . 2 . . . . 90 ASN HD21 . 18424 1
336 . 1 2 89 89 ASN HD22 H 1 5.63 0.01 . 2 . . . . 90 ASN HD22 . 18424 1
337 . 1 2 89 89 ASN N N 15 116.1 0.1 . 1 . . . . 90 ASN N . 18424 1
338 . 1 2 89 89 ASN ND2 N 15 111.8 0.1 . 1 . . . . 90 ASN ND2 . 18424 1
339 . 1 2 90 90 LEU H H 1 8.38 0.01 . 1 . . . . 91 LEU H . 18424 1
340 . 1 2 90 90 LEU HA H 1 4.21 0.02 . 1 . . . . 91 LEU HA . 18424 1
341 . 1 2 90 90 LEU N N 15 125.5 0.1 . 1 . . . . 91 LEU N . 18424 1
342 . 1 2 91 91 VAL H H 1 8.23 0.01 . 1 . . . . 92 VAL H . 18424 1
343 . 1 2 91 91 VAL HA H 1 3.32 0.02 . 1 . . . . 92 VAL HA . 18424 1
344 . 1 2 91 91 VAL HB H 1 2.18 0.02 . 1 . . . . 92 VAL HB . 18424 1
345 . 1 2 91 91 VAL N N 15 121.6 0.1 . 1 . . . . 92 VAL N . 18424 1
346 . 1 2 92 92 LEU H H 1 8.61 0.01 . 1 . . . . 93 LEU H . 18424 1
347 . 1 2 92 92 LEU HA H 1 4.14 0.02 . 1 . . . . 93 LEU HA . 18424 1
348 . 1 2 92 92 LEU N N 15 118.0 0.1 . 1 . . . . 93 LEU N . 18424 1
349 . 1 2 93 93 THR H H 1 7.76 0.01 . 1 . . . . 94 THR H . 18424 1
350 . 1 2 93 93 THR HA H 1 3.64 0.02 . 1 . . . . 94 THR HA . 18424 1
351 . 1 2 93 93 THR N N 15 116.0 0.1 . 1 . . . . 94 THR N . 18424 1
352 . 1 2 94 94 LEU H H 1 8.00 0.01 . 1 . . . . 95 LEU H . 18424 1
353 . 1 2 94 94 LEU HA H 1 3.97 0.02 . 1 . . . . 95 LEU HA . 18424 1
354 . 1 2 94 94 LEU N N 15 119.2 0.1 . 1 . . . . 95 LEU N . 18424 1
355 . 1 2 95 95 GLN H H 1 8.70 0.01 . 1 . . . . 96 GLN H . 18424 1
356 . 1 2 95 95 GLN HA H 1 4.11 0.02 . 1 . . . . 96 GLN HA . 18424 1
357 . 1 2 95 95 GLN HE21 H 1 6.62 0.01 . 2 . . . . 96 GLN HE21 . 18424 1
358 . 1 2 95 95 GLN HE22 H 1 7.40 0.01 . 2 . . . . 96 GLN HE22 . 18424 1
359 . 1 2 95 95 GLN N N 15 119.0 0.1 . 1 . . . . 96 GLN N . 18424 1
360 . 1 2 95 95 GLN NE2 N 15 110.1 0.1 . 1 . . . . 96 GLN NE2 . 18424 1
361 . 1 2 96 96 GLU H H 1 8.26 0.01 . 1 . . . . 97 GLU H . 18424 1
362 . 1 2 96 96 GLU HA H 1 4.11 0.02 . 1 . . . . 97 GLU HA . 18424 1
363 . 1 2 96 96 GLU N N 15 122.2 0.1 . 1 . . . . 97 GLU N . 18424 1
364 . 1 2 97 97 LEU H H 1 7.48 0.01 . 1 . . . . 98 LEU H . 18424 1
365 . 1 2 97 97 LEU HA H 1 4.34 0.02 . 1 . . . . 98 LEU HA . 18424 1
366 . 1 2 97 97 LEU N N 15 118.6 0.1 . 1 . . . . 98 LEU N . 18424 1
367 . 1 2 98 98 ASN H H 1 8.12 0.01 . 1 . . . . 99 ASN H . 18424 1
368 . 1 2 98 98 ASN HA H 1 4.34 0.02 . 1 . . . . 99 ASN HA . 18424 1
369 . 1 2 98 98 ASN HD21 H 1 6.78 0.01 . 2 . . . . 99 ASN HD21 . 18424 1
370 . 1 2 98 98 ASN HD22 H 1 7.50 0.01 . 2 . . . . 99 ASN HD22 . 18424 1
371 . 1 2 98 98 ASN N N 15 115.0 0.1 . 1 . . . . 99 ASN N . 18424 1
372 . 1 2 98 98 ASN ND2 N 15 112.6 0.1 . 1 . . . . 99 ASN ND2 . 18424 1
373 . 1 2 99 99 VAL H H 1 7.69 0.01 . 1 . . . . 100 VAL H . 18424 1
374 . 1 2 99 99 VAL HA H 1 3.77 0.02 . 1 . . . . 100 VAL HA . 18424 1
375 . 1 2 99 99 VAL HB H 1 1.60 0.02 . 1 . . . . 100 VAL HB . 18424 1
376 . 1 2 99 99 VAL N N 15 120.5 0.1 . 1 . . . . 100 VAL N . 18424 1
377 . 1 2 100 100 SER H H 1 8.41 0.01 . 1 . . . . 101 SER H . 18424 1
378 . 1 2 100 100 SER HA H 1 4.16 0.02 . 1 . . . . 101 SER HA . 18424 1
379 . 1 2 100 100 SER N N 15 121.8 0.1 . 1 . . . . 101 SER N . 18424 1
380 . 1 2 101 101 GLN H H 1 8.92 0.01 . 1 . . . . 102 GLN H . 18424 1
381 . 1 2 101 101 GLN HA H 1 3.66 0.02 . 1 . . . . 102 GLN HA . 18424 1
382 . 1 2 101 101 GLN HE21 H 1 6.49 0.01 . 2 . . . . 102 GLN HE21 . 18424 1
383 . 1 2 101 101 GLN HE22 H 1 7.89 0.01 . 2 . . . . 102 GLN HE22 . 18424 1
384 . 1 2 101 101 GLN N N 15 124.8 0.1 . 1 . . . . 102 GLN N . 18424 1
385 . 1 2 101 101 GLN NE2 N 15 115.2 0.1 . 1 . . . . 102 GLN NE2 . 18424 1
386 . 1 2 102 102 ASP H H 1 8.54 0.01 . 1 . . . . 103 ASP H . 18424 1
387 . 1 2 102 102 ASP HA H 1 4.31 0.02 . 1 . . . . 103 ASP HA . 18424 1
388 . 1 2 102 102 ASP N N 15 115.5 0.1 . 1 . . . . 103 ASP N . 18424 1
389 . 1 2 103 103 LEU H H 1 7.28 0.01 . 1 . . . . 104 LEU H . 18424 1
390 . 1 2 103 103 LEU HA H 1 4.08 0.02 . 1 . . . . 104 LEU HA . 18424 1
391 . 1 2 103 103 LEU N N 15 120.2 0.1 . 1 . . . . 104 LEU N . 18424 1
392 . 1 2 104 104 ILE H H 1 7.91 0.01 . 1 . . . . 105 ILE H . 18424 1
393 . 1 2 104 104 ILE HA H 1 3.22 0.02 . 1 . . . . 105 ILE HA . 18424 1
394 . 1 2 104 104 ILE HB H 1 1.93 0.02 . 1 . . . . 105 ILE HB . 18424 1
395 . 1 2 104 104 ILE N N 15 121.0 0.1 . 1 . . . . 105 ILE N . 18424 1
396 . 1 2 105 105 ASP H H 1 8.68 0.01 . 1 . . . . 106 ASP H . 18424 1
397 . 1 2 105 105 ASP HA H 1 4.29 0.02 . 1 . . . . 106 ASP HA . 18424 1
398 . 1 2 105 105 ASP N N 15 118.5 0.1 . 1 . . . . 106 ASP N . 18424 1
399 . 1 2 106 106 GLU H H 1 7.38 0.01 . 1 . . . . 107 GLU H . 18424 1
400 . 1 2 106 106 GLU HA H 1 4.00 0.02 . 1 . . . . 107 GLU HA . 18424 1
401 . 1 2 106 106 GLU N N 15 121.3 0.1 . 1 . . . . 107 GLU N . 18424 1
402 . 1 2 107 107 VAL H H 1 8.25 0.01 . 1 . . . . 108 VAL H . 18424 1
403 . 1 2 107 107 VAL HA H 1 3.32 0.02 . 1 . . . . 108 VAL HA . 18424 1
404 . 1 2 107 107 VAL HB H 1 2.37 0.02 . 1 . . . . 108 VAL HB . 18424 1
405 . 1 2 107 107 VAL N N 15 120.7 0.1 . 1 . . . . 108 VAL N . 18424 1
406 . 1 2 108 108 VAL H H 1 8.83 0.01 . 1 . . . . 109 VAL H . 18424 1
407 . 1 2 108 108 VAL HA H 1 3.43 0.02 . 1 . . . . 109 VAL HA . 18424 1
408 . 1 2 108 108 VAL HB H 1 2.13 0.02 . 1 . . . . 109 VAL HB . 18424 1
409 . 1 2 108 108 VAL N N 15 120.2 0.1 . 1 . . . . 109 VAL N . 18424 1
410 . 1 2 109 109 THR H H 1 8.00 0.01 . 1 . . . . 110 THR H . 18424 1
411 . 1 2 109 109 THR HA H 1 3.96 0.02 . 1 . . . . 110 THR HA . 18424 1
412 . 1 2 109 109 THR HB H 1 4.35 0.02 . 1 . . . . 110 THR HB . 18424 1
413 . 1 2 109 109 THR HG21 H 1 1.28 0.02 . 1 . . . . 110 THR HG2 . 18424 1
414 . 1 2 109 109 THR HG22 H 1 1.28 0.02 . 1 . . . . 110 THR HG2 . 18424 1
415 . 1 2 109 109 THR HG23 H 1 1.28 0.02 . 1 . . . . 110 THR HG2 . 18424 1
416 . 1 2 109 109 THR N N 15 117.2 0.1 . 1 . . . . 110 THR N . 18424 1
417 . 1 2 110 110 ILE H H 1 7.37 0.01 . 1 . . . . 111 ILE H . 18424 1
418 . 1 2 110 110 ILE HA H 1 4.07 0.02 . 1 . . . . 111 ILE HA . 18424 1
419 . 1 2 110 110 ILE HB H 1 2.03 0.02 . 1 . . . . 111 ILE HB . 18424 1
420 . 1 2 110 110 ILE N N 15 119.9 0.1 . 1 . . . . 111 ILE N . 18424 1
421 . 1 2 111 111 VAL H H 1 8.79 0.01 . 1 . . . . 112 VAL H . 18424 1
422 . 1 2 111 111 VAL HA H 1 3.84 0.02 . 1 . . . . 112 VAL HA . 18424 1
423 . 1 2 111 111 VAL HB H 1 2.13 0.02 . 1 . . . . 112 VAL HB . 18424 1
424 . 1 2 111 111 VAL N N 15 114.8 0.1 . 1 . . . . 112 VAL N . 18424 1
425 . 1 2 112 112 GLY H H 1 8.26 0.01 . 1 . . . . 113 GLY H . 18424 1
426 . 1 2 112 112 GLY HA2 H 1 4.61 0.02 . 2 . . . . 113 GLY HA2 . 18424 1
427 . 1 2 112 112 GLY HA3 H 1 3.61 0.02 . 2 . . . . 113 GLY HA3 . 18424 1
428 . 1 2 112 112 GLY N N 15 104.5 0.1 . 1 . . . . 113 GLY N . 18424 1
429 . 1 2 113 113 SER H H 1 7.04 0.01 . 1 . . . . 114 SER H . 18424 1
430 . 1 2 113 113 SER HA H 1 4.40 0.02 . 1 . . . . 114 SER HA . 18424 1
431 . 1 2 113 113 SER N N 15 116.0 0.1 . 1 . . . . 114 SER N . 18424 1
432 . 1 2 114 114 VAL H H 1 8.67 0.01 . 1 . . . . 115 VAL H . 18424 1
433 . 1 2 114 114 VAL HA H 1 3.61 0.02 . 1 . . . . 115 VAL HA . 18424 1
434 . 1 2 114 114 VAL HB H 1 1.94 0.02 . 1 . . . . 115 VAL HB . 18424 1
435 . 1 2 114 114 VAL N N 15 122.0 0.1 . 1 . . . . 115 VAL N . 18424 1
436 . 1 2 115 115 GLN H H 1 8.12 0.01 . 1 . . . . 116 GLN H . 18424 1
437 . 1 2 115 115 GLN HA H 1 3.94 0.02 . 1 . . . . 116 GLN HA . 18424 1
438 . 1 2 115 115 GLN HE21 H 1 6.95 0.01 . 2 . . . . 116 GLN HE21 . 18424 1
439 . 1 2 115 115 GLN HE22 H 1 7.81 0.01 . 2 . . . . 116 GLN HE22 . 18424 1
440 . 1 2 115 115 GLN N N 15 118.1 0.1 . 1 . . . . 116 GLN N . 18424 1
441 . 1 2 115 115 GLN NE2 N 15 114.7 0.1 . 1 . . . . 116 GLN NE2 . 18424 1
442 . 1 2 116 116 HIS H H 1 7.85 0.01 . 1 . . . . 117 HIS H . 18424 1
443 . 1 2 116 116 HIS HA H 1 4.55 0.02 . 1 . . . . 117 HIS HA . 18424 1
444 . 1 2 116 116 HIS N N 15 118.7 0.1 . 1 . . . . 117 HIS N . 18424 1
445 . 1 2 117 117 ARG H H 1 8.39 0.01 . 1 . . . . 118 ARG H . 18424 1
446 . 1 2 117 117 ARG HA H 1 2.66 0.02 . 1 . . . . 118 ARG HA . 18424 1
447 . 1 2 117 117 ARG N N 15 120.5 0.1 . 1 . . . . 118 ARG N . 18424 1
448 . 1 2 118 118 ASN H H 1 8.31 0.01 . 1 . . . . 119 ASN H . 18424 1
449 . 1 2 118 118 ASN HA H 1 4.11 0.02 . 1 . . . . 119 ASN HA . 18424 1
450 . 1 2 118 118 ASN HD21 H 1 6.64 0.01 . 2 . . . . 119 ASN HD21 . 18424 1
451 . 1 2 118 118 ASN HD22 H 1 7.37 0.01 . 2 . . . . 119 ASN HD22 . 18424 1
452 . 1 2 118 118 ASN N N 15 115.4 0.1 . 1 . . . . 119 ASN N . 18424 1
453 . 1 2 118 118 ASN ND2 N 15 110.6 0.1 . 1 . . . . 119 ASN ND2 . 18424 1
454 . 1 2 119 119 ASP H H 1 8.03 0.01 . 1 . . . . 120 ASP H . 18424 1
455 . 1 2 119 119 ASP HA H 1 4.70 0.02 . 1 . . . . 120 ASP HA . 18424 1
456 . 1 2 119 119 ASP N N 15 119.7 0.1 . 1 . . . . 120 ASP N . 18424 1
457 . 1 2 120 120 VAL H H 1 8.67 0.01 . 1 . . . . 121 VAL H . 18424 1
458 . 1 2 120 120 VAL HA H 1 4.30 0.02 . 1 . . . . 121 VAL HA . 18424 1
459 . 1 2 120 120 VAL HB H 1 1.55 0.02 . 1 . . . . 121 VAL HB . 18424 1
460 . 1 2 120 120 VAL N N 15 120.4 0.1 . 1 . . . . 121 VAL N . 18424 1
461 . 1 2 121 121 LEU H H 1 7.70 0.01 . 1 . . . . 122 LEU H . 18424 1
462 . 1 2 121 121 LEU HA H 1 4.28 0.02 . 1 . . . . 122 LEU HA . 18424 1
463 . 1 2 121 121 LEU N N 15 109.7 0.1 . 1 . . . . 122 LEU N . 18424 1
464 . 1 2 122 122 ASN H H 1 8.26 0.01 . 1 . . . . 123 ASN H . 18424 1
465 . 1 2 122 122 ASN HA H 1 4.31 0.02 . 1 . . . . 123 ASN HA . 18424 1
466 . 1 2 122 122 ASN HD21 H 1 7.43 0.01 . 2 . . . . 123 ASN HD21 . 18424 1
467 . 1 2 122 122 ASN HD22 H 1 7.77 0.01 . 2 . . . . 123 ASN HD22 . 18424 1
468 . 1 2 122 122 ASN N N 15 118.8 0.1 . 1 . . . . 123 ASN N . 18424 1
469 . 1 2 122 122 ASN ND2 N 15 110.3 0.1 . 1 . . . . 123 ASN ND2 . 18424 1
470 . 1 2 123 123 ARG H H 1 9.19 0.01 . 1 . . . . 124 ARG H . 18424 1
471 . 1 2 123 123 ARG HA H 1 4.32 0.02 . 1 . . . . 124 ARG HA . 18424 1
472 . 1 2 123 123 ARG N N 15 124.2 0.1 . 1 . . . . 124 ARG N . 18424 1
stop_
save_
###################################
# 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_chem_shifts_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shifts_list_2
_Assigned_chem_shift_list.Entry_ID 18424
_Assigned_chem_shift_list.ID 2
_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
4 '2D DQF-COSY' . . . 18424 2
5 '2D 1H-1H NOESY' . . . 18424 2
6 '2D 1H-1H TOCSY' . . . 18424 2
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 . 2 1 1 1 HEM HAA1 H 1 12.40 0.02 . 2 . . . . 1 HEM HAA1 . 18424 2
2 . 2 1 1 1 HEM HAA2 H 1 5.06 0.02 . 2 . . . . 1 HEM HAA2 . 18424 2
3 . 2 1 1 1 HEM HAB H 1 16.82 0.02 . 1 . . . . 1 HEM HAB . 18424 2
4 . 2 1 1 1 HEM HAC H 1 7.45 0.02 . 1 . . . . 1 HEM HAC . 18424 2
5 . 2 1 1 1 HEM HAD1 H 1 16.06 0.02 . 2 . . . . 1 HEM HAD1 . 18424 2
6 . 2 1 1 1 HEM HAD2 H 1 12.57 0.02 . 2 . . . . 1 HEM HAD2 . 18424 2
7 . 2 1 1 1 HEM HBA1 H 1 0.19 0.02 . 2 . . . . 1 HEM HBA1 . 18424 2
8 . 2 1 1 1 HEM HBA2 H 1 -0.65 0.02 . 2 . . . . 1 HEM HBA2 . 18424 2
9 . 2 1 1 1 HEM HBB1 H 1 -2.72 0.02 . 1 . . . . 1 HEM HBB1 . 18424 2
10 . 2 1 1 1 HEM HBB2 H 1 -3.74 0.02 . 1 . . . . 1 HEM HBB2 . 18424 2
11 . 2 1 1 1 HEM HBC1 H 1 1.87 0.02 . 1 . . . . 1 HEM HBC1 . 18424 2
12 . 2 1 1 1 HEM HBC2 H 1 1.29 0.02 . 1 . . . . 1 HEM HBC2 . 18424 2
13 . 2 1 1 1 HEM HBD1 H 1 1.26 0.02 . 2 . . . . 1 HEM HBD1 . 18424 2
14 . 2 1 1 1 HEM HBD2 H 1 0.84 0.02 . 2 . . . . 1 HEM HBD2 . 18424 2
15 . 2 1 1 1 HEM HMA1 H 1 6.95 0.02 . 1 . . . . 1 HEM HMA# . 18424 2
16 . 2 1 1 1 HEM HMA2 H 1 6.95 0.02 . 1 . . . . 1 HEM HMA# . 18424 2
17 . 2 1 1 1 HEM HMA3 H 1 6.95 0.02 . 1 . . . . 1 HEM HMA# . 18424 2
18 . 2 1 1 1 HEM HMB1 H 1 13.15 0.02 . 1 . . . . 1 HEM HMB# . 18424 2
19 . 2 1 1 1 HEM HMB2 H 1 13.15 0.02 . 1 . . . . 1 HEM HMB# . 18424 2
20 . 2 1 1 1 HEM HMB3 H 1 13.15 0.02 . 1 . . . . 1 HEM HMB# . 18424 2
21 . 2 1 1 1 HEM HMC1 H 1 14.39 0.02 . 1 . . . . 1 HEM HMC# . 18424 2
22 . 2 1 1 1 HEM HMC2 H 1 14.39 0.02 . 1 . . . . 1 HEM HMC# . 18424 2
23 . 2 1 1 1 HEM HMC3 H 1 14.39 0.02 . 1 . . . . 1 HEM HMC# . 18424 2
24 . 2 1 1 1 HEM HMD1 H 1 16.03 0.02 . 1 . . . . 1 HEM HMD# . 18424 2
25 . 2 1 1 1 HEM HMD2 H 1 16.03 0.02 . 1 . . . . 1 HEM HMD# . 18424 2
26 . 2 1 1 1 HEM HMD3 H 1 16.03 0.02 . 1 . . . . 1 HEM HMD# . 18424 2
stop_
save_