###################################
# 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 19672
_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 '3D HNCA' . . . 19672 1
5 '2D 1H-15N HSQC' . . . 19672 1
6 '3D 1H-15N NOESY' . . . 19672 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 TRP H H 1 8.557 0.03 . 1 . . . . 1 TRP H . 19672 1
2 . 1 1 1 1 TRP HA H 1 4.670 0.01 . 1 . . . . 1 TRP HA . 19672 1
3 . 1 1 1 1 TRP CA C 13 56.03 0.03 . 1 . . . . 1 TRP CA . 19672 1
4 . 1 1 1 1 TRP N N 15 123.64 0.2 . 1 . . . . 1 TRP N . 19672 1
5 . 1 1 2 2 VAL H H 1 8.443 0.02 . 1 . . . . 2 VAL H . 19672 1
6 . 1 1 2 2 VAL HA H 1 4.460 0.001 . 1 . . . . 2 VAL HA . 19672 1
7 . 1 1 2 2 VAL CA C 13 62.44 0.00 . 1 . . . . 2 VAL CA . 19672 1
8 . 1 1 2 2 VAL N N 15 123.95 0.03 . 1 . . . . 2 VAL N . 19672 1
9 . 1 1 3 3 THR H H 1 8.529 0.002 . 1 . . . . 3 THR H . 19672 1
10 . 1 1 3 3 THR HA H 1 4.223 0.04 . 1 . . . . 3 THR HA . 19672 1
11 . 1 1 3 3 THR CA C 13 62.39 0.013 . 1 . . . . 3 THR CA . 19672 1
12 . 1 1 3 3 THR N N 15 125.904 0.013 . 1 . . . . 3 THR N . 19672 1
13 . 1 1 4 4 VAL H H 1 8.323 0.035 . 1 . . . . 4 VAL H . 19672 1
14 . 1 1 4 4 VAL HA H 1 4.08 0.000 . 1 . . . . 4 VAL HA . 19672 1
15 . 1 1 4 4 VAL CA C 13 62.41 0.030 . 1 . . . . 4 VAL CA . 19672 1
16 . 1 1 4 4 VAL N N 15 123.52 0.3 . 1 . . . . 4 VAL N . 19672 1
17 . 1 1 5 5 GLN H H 1 8.620 0.000 . 1 . . . . 5 GLN H . 19672 1
18 . 1 1 5 5 GLN HA H 1 4.373 0.001 . 1 . . . . 5 GLN HA . 19672 1
19 . 1 1 5 5 GLN CA C 13 55.811 0.000 . 1 . . . . 5 GLN CA . 19672 1
20 . 1 1 5 5 GLN N N 15 126.165 0.003 . 1 . . . . 5 GLN N . 19672 1
21 . 1 1 6 6 ARG CA C 13 54.7 0.127 . 1 . . . . 6 ARG CA . 19672 1
22 . 1 1 7 7 THR H H 1 8.542 0.01 . 1 . . . . 7 THR H . 19672 1
23 . 1 1 7 7 THR HA H 1 4.49 0.000 . 1 . . . . 7 THR HA . 19672 1
24 . 1 1 7 7 THR CA C 13 62.93 0.010 . 1 . . . . 7 THR CA . 19672 1
25 . 1 1 7 7 THR N N 15 117.54 0.02 . 1 . . . . 7 THR N . 19672 1
26 . 1 1 8 8 GLU H H 1 8.670 0.031 . 1 . . . . 8 GLU H . 19672 1
27 . 1 1 8 8 GLU HA H 1 4.4 0.000 . 1 . . . . 8 GLU HA . 19672 1
28 . 1 1 8 8 GLU CA C 13 56.48 0.054 . 1 . . . . 8 GLU CA . 19672 1
29 . 1 1 8 8 GLU N N 15 124.94 0.270 . 1 . . . . 8 GLU N . 19672 1
30 . 1 1 9 9 ALA H H 1 8.472 0.03 . 1 . . . . 9 ALA H . 19672 1
31 . 1 1 9 9 ALA HA H 1 4.37 0.000 . 1 . . . . 9 ALA HA . 19672 1
32 . 1 1 9 9 ALA CA C 13 52.62 0.007 . 1 . . . . 9 ALA CA . 19672 1
33 . 1 1 9 9 ALA N N 15 126.5 0.4 . 1 . . . . 9 ALA N . 19672 1
34 . 1 1 10 10 ALA H H 1 8.360 0.040 . 1 . . . . 10 ALA H . 19672 1
35 . 1 1 10 10 ALA HA H 1 4.35 0.000 . 1 . . . . 10 ALA HA . 19672 1
36 . 1 1 10 10 ALA CA C 13 52.64 0.035 . 1 . . . . 10 ALA CA . 19672 1
37 . 1 1 10 10 ALA N N 15 124.64 0.310 . 1 . . . . 10 ALA N . 19672 1
38 . 1 1 11 11 GLU H H 1 8.570 0.024 . 1 . . . . 11 GLU H . 19672 1
39 . 1 1 11 11 GLU HA H 1 4.38 0.000 . 1 . . . . 11 GLU HA . 19672 1
40 . 1 1 11 11 GLU CA C 13 56.05 0.024 . 1 . . . . 11 GLU CA . 19672 1
41 . 1 1 11 11 GLU N N 15 120.8 0.42 . 1 . . . . 11 GLU N . 19672 1
42 . 1 1 12 12 ARG H H 1 8.615 0.037 . 1 . . . . 12 ARG H . 19672 1
43 . 1 1 12 12 ARG HA H 1 4.45 0.000 . 1 . . . . 12 ARG HA . 19672 1
44 . 1 1 12 12 ARG CA C 13 56.09 0.015 . 1 . . . . 12 ARG CA . 19672 1
45 . 1 1 12 12 ARG N N 15 124.0 0.135 . 1 . . . . 12 ARG N . 19672 1
46 . 1 1 13 13 CYS H H 1 8.570 0.024 . 1 . . . . 13 CYS H . 19672 1
47 . 1 1 13 13 CYS HA H 1 4.38 0.000 . 1 . . . . 13 CYS HA . 19672 1
48 . 1 1 13 13 CYS CA C 13 56.03 0.07 . 1 . . . . 13 CYS CA . 19672 1
49 . 1 1 13 13 CYS N N 15 120.8 0.42 . 1 . . . . 13 CYS N . 19672 1
50 . 1 1 14 14 GLY H H 1 8.489 0.04 . 1 . . . . 14 GLY H . 19672 1
51 . 1 1 14 14 GLY HA2 H 1 4.02 0.15 . 1 . . . . 14 GLY HA2 . 19672 1
52 . 1 1 14 14 GLY HA3 H 1 4.02 0.15 . 1 . . . . 14 GLY HA3 . 19672 1
53 . 1 1 14 14 GLY CA C 13 45.37 0.05 . 1 . . . . 14 GLY CA . 19672 1
54 . 1 1 14 14 GLY N N 15 111.2 0.22 . 1 . . . . 14 GLY N . 19672 1
55 . 1 1 15 15 LEU H H 1 8.220 0.03 . 1 . . . . 15 LEU H . 19672 1
56 . 1 1 15 15 LEU HA H 1 4.38 0.000 . 1 . . . . 15 LEU HA . 19672 1
57 . 1 1 15 15 LEU CA C 13 55.13 0.000 . 1 . . . . 15 LEU CA . 19672 1
58 . 1 1 15 15 LEU N N 15 123.09 0.3 . 1 . . . . 15 LEU N . 19672 1
59 . 1 1 17 17 GLY H H 1 8.609 0.03 . 1 . . . . 17 GLY H . 19672 1
60 . 1 1 17 17 GLY HA2 H 1 4.06 0.000 . 1 . . . . 17 GLY HA2 . 19672 1
61 . 1 1 17 17 GLY HA3 H 1 4.06 0.000 . 1 . . . . 17 GLY HA3 . 19672 1
62 . 1 1 17 17 GLY CA C 13 45.24 0.03 . 1 . . . . 17 GLY CA . 19672 1
63 . 1 1 17 17 GLY N N 15 111.75 0.37 . 1 . . . . 17 GLY N . 19672 1
64 . 1 1 18 18 SER H H 1 8.358 0.029 . 1 . . . . 18 SER H . 19672 1
65 . 1 1 18 18 SER HA H 1 4.48 0.005 . 1 . . . . 18 SER HA . 19672 1
66 . 1 1 18 18 SER CA C 13 58.46 0.008 . 1 . . . . 18 SER CA . 19672 1
67 . 1 1 18 18 SER N N 15 116.987 0.44 . 1 . . . . 18 SER N . 19672 1
68 . 1 1 19 19 TYR H H 1 8.696 0.004 . 1 . . . . 19 TYR H . 19672 1
69 . 1 1 19 19 TYR HA H 1 4.59 0.000 . 1 . . . . 19 TYR HA . 19672 1
70 . 1 1 19 19 TYR CA C 13 58.44 0.034 . 1 . . . . 19 TYR CA . 19672 1
71 . 1 1 19 19 TYR N N 15 119.708 0.374 . 1 . . . . 19 TYR N . 19672 1
72 . 1 1 20 20 VAL H H 1 7.994 0.029 . 1 . . . . 20 VAL H . 19672 1
73 . 1 1 20 20 VAL HA H 1 4.02 0.000 . 1 . . . . 20 VAL HA . 19672 1
74 . 1 1 20 20 VAL CA C 13 61.69 0.000 . 1 . . . . 20 VAL CA . 19672 1
75 . 1 1 20 20 VAL N N 15 115.165 0.224 . 1 . . . . 20 VAL N . 19672 1
76 . 1 1 23 23 VAL CA C 13 63.15 0.080 . 1 . . . . 23 VAL CA . 19672 1
77 . 1 1 24 24 GLU H H 1 8.647 0.038 . 1 . . . . 24 GLU H . 19672 1
78 . 1 1 24 24 GLU HA H 1 4.45 0.000 . 1 . . . . 24 GLU HA . 19672 1
79 . 1 1 24 24 GLU CA C 13 56.56 0.04 . 1 . . . . 24 GLU CA . 19672 1
80 . 1 1 24 24 GLU N N 15 123.68 0.43 . 1 . . . . 24 GLU N . 19672 1
81 . 1 1 25 25 ALA H H 1 8.435 0.042 . 1 . . . . 25 ALA H . 19672 1
82 . 1 1 25 25 ALA HA H 1 4.37 0.000 . 1 . . . . 25 ALA HA . 19672 1
83 . 1 1 25 25 ALA CA C 13 52.72 0.002 . 1 . . . . 25 ALA CA . 19672 1
84 . 1 1 25 25 ALA N N 15 126.4 0.31 . 1 . . . . 25 ALA N . 19672 1
85 . 1 1 26 26 GLU H H 1 8.57 0.035 . 1 . . . . 26 GLU H . 19672 1
86 . 1 1 26 26 GLU HA H 1 4.38 0.000 . 1 . . . . 26 GLU HA . 19672 1
87 . 1 1 26 26 GLU CA C 13 56.05 0.023 . 1 . . . . 26 GLU CA . 19672 1
88 . 1 1 26 26 GLU N N 15 120.8 0.27 . 1 . . . . 26 GLU N . 19672 1
89 . 1 1 27 27 ARG H H 1 8.615 0.031 . 1 . . . . 27 ARG H . 19672 1
90 . 1 1 27 27 ARG HA H 1 4.45 0.000 . 1 . . . . 27 ARG HA . 19672 1
91 . 1 1 27 27 ARG CA C 13 56.09 0.051 . 1 . . . . 27 ARG CA . 19672 1
92 . 1 1 27 27 ARG N N 15 124.0 0.20 . 1 . . . . 27 ARG N . 19672 1
93 . 1 1 28 28 LEU H H 1 8.496 0.001 . 1 . . . . 28 LEU H . 19672 1
94 . 1 1 28 28 LEU HA H 1 4.42 0.000 . 1 . . . . 28 LEU HA . 19672 1
95 . 1 1 28 28 LEU CA C 13 55.16 0.000 . 1 . . . . 28 LEU CA . 19672 1
96 . 1 1 28 28 LEU N N 15 125.4 0.027 . 1 . . . . 28 LEU N . 19672 1
97 . 1 1 29 29 THR H H 1 8.425 0.038 . 1 . . . . 29 THR H . 19672 1
98 . 1 1 29 29 THR HA H 1 4.48 0.000 . 1 . . . . 29 THR HA . 19672 1
99 . 1 1 29 29 THR CA C 13 62.08 0.023 . 1 . . . . 29 THR CA . 19672 1
100 . 1 1 29 29 THR N N 15 117.9 0.34 . 1 . . . . 29 THR N . 19672 1
101 . 1 1 30 30 LEU H H 1 8.435 0.040 . 1 . . . . 30 LEU H . 19672 1
102 . 1 1 30 30 LEU HA H 1 4.37 0.000 . 1 . . . . 30 LEU HA . 19672 1
103 . 1 1 30 30 LEU CA C 13 55.03 0.08 . 1 . . . . 30 LEU CA . 19672 1
104 . 1 1 30 30 LEU N N 15 126.62 0.032 . 1 . . . . 30 LEU N . 19672 1
105 . 1 1 31 31 LEU H H 1 8.465 0.039 . 1 . . . . 31 LEU H . 19672 1
106 . 1 1 31 31 LEU HA H 1 4.42 0.02 . 1 . . . . 31 LEU HA . 19672 1
107 . 1 1 31 31 LEU CA C 13 55.07 0.000 . 1 . . . . 31 LEU CA . 19672 1
108 . 1 1 31 31 LEU N N 15 124.97 0.38 . 1 . . . . 31 LEU N . 19672 1
109 . 1 1 32 32 THR H H 1 8.358 0.029 . 1 . . . . 32 THR H . 19672 1
110 . 1 1 32 32 THR HA H 1 4.48 0.000 . 1 . . . . 32 THR HA . 19672 1
111 . 1 1 32 32 THR CA C 13 61.72 0.31 . 1 . . . . 32 THR CA . 19672 1
112 . 1 1 32 32 THR N N 15 116.987 0.44 . 1 . . . . 32 THR N . 19672 1
113 . 1 1 33 33 VAL H H 1 8.323 0.036 . 1 . . . . 33 VAL H . 19672 1
114 . 1 1 33 33 VAL HA H 1 4.08 0.000 . 1 . . . . 33 VAL HA . 19672 1
115 . 1 1 33 33 VAL CA C 13 62.41 0.038 . 1 . . . . 33 VAL CA . 19672 1
116 . 1 1 33 33 VAL N N 15 123.52 0.320 . 1 . . . . 33 VAL N . 19672 1
117 . 1 1 34 34 GLY H H 1 8.556 0.037 . 1 . . . . 34 GLY H . 19672 1
118 . 1 1 34 34 GLY HA2 H 1 4.03 0.08 . 1 . . . . 34 GLY HA2 . 19672 1
119 . 1 1 34 34 GLY HA3 H 1 4.03 0.08 . 1 . . . . 34 GLY HA3 . 19672 1
120 . 1 1 34 34 GLY CA C 13 45.17 0.045 . 1 . . . . 34 GLY CA . 19672 1
121 . 1 1 34 34 GLY N N 15 113.76 0.46 . 1 . . . . 34 GLY N . 19672 1
122 . 1 1 35 35 ALA H H 1 8.3 0.038 . 1 . . . . 35 ALA H . 19672 1
123 . 1 1 35 35 ALA HA H 1 4.37 0.000 . 1 . . . . 35 ALA HA . 19672 1
124 . 1 1 35 35 ALA CA C 13 52.72 0.042 . 1 . . . . 35 ALA CA . 19672 1
125 . 1 1 35 35 ALA N N 15 125.04 0.29 . 1 . . . . 35 ALA N . 19672 1
126 . 1 1 36 36 GLN H H 1 8.57 0.037 . 1 . . . . 36 GLN H . 19672 1
127 . 1 1 36 36 GLN HA H 1 4.38 0.000 . 1 . . . . 36 GLN HA . 19672 1
128 . 1 1 36 36 GLN CA C 13 56.05 0.039 . 1 . . . . 36 GLN CA . 19672 1
129 . 1 1 36 36 GLN N N 15 120.8 0.27 . 1 . . . . 36 GLN N . 19672 1
130 . 1 1 37 37 SER H H 1 8.454 0.037 . 1 . . . . 37 SER H . 19672 1
131 . 1 1 37 37 SER HA H 1 4.42 0.000 . 1 . . . . 37 SER HA . 19672 1
132 . 1 1 37 37 SER CA C 13 58.57 0.25 . 1 . . . . 37 SER CA . 19672 1
133 . 1 1 37 37 SER N N 15 118.28 0.26 . 1 . . . . 37 SER N . 19672 1
134 . 1 1 38 38 GLN H H 1 8.557 0.037 . 1 . . . . 38 GLN H . 19672 1
135 . 1 1 38 38 GLN HA H 1 4.46 0.014 . 1 . . . . 38 GLN HA . 19672 1
136 . 1 1 38 38 GLN CA C 13 55.89 0.069 . 1 . . . . 38 GLN CA . 19672 1
137 . 1 1 38 38 GLN N N 15 123.64 0.35 . 1 . . . . 38 GLN N . 19672 1
138 . 1 1 39 39 ILE H H 1 8.383 0.036 . 1 . . . . 39 ILE H . 19672 1
139 . 1 1 39 39 ILE HA H 1 4.16 0.017 . 1 . . . . 39 ILE HA . 19672 1
140 . 1 1 39 39 ILE CA C 13 61.17 0.07 . 1 . . . . 39 ILE CA . 19672 1
141 . 1 1 39 39 ILE N N 15 124.05 0.27 . 1 . . . . 39 ILE N . 19672 1
142 . 1 1 40 40 LEU H H 1 8.491 0.039 . 1 . . . . 40 LEU H . 19672 1
143 . 1 1 40 40 LEU HA H 1 4.47 0.000 . 1 . . . . 40 LEU HA . 19672 1
144 . 1 1 40 40 LEU CA C 13 54.78 0.056 . 1 . . . . 40 LEU CA . 19672 1
145 . 1 1 40 40 LEU N N 15 128.57 0.44 . 1 . . . . 40 LEU N . 19672 1
146 . 1 1 42 42 PRO CA C 13 62.12 0.009 . 1 . . . . 42 PRO CA . 19672 1
147 . 1 1 43 43 LEU H H 1 8.418 0.028 . 1 . . . . 43 LEU H . 19672 1
148 . 1 1 43 43 LEU HA H 1 4.34 0.000 . 1 . . . . 43 LEU HA . 19672 1
149 . 1 1 43 43 LEU CA C 13 55.06 0.3 . 1 . . . . 43 LEU CA . 19672 1
150 . 1 1 43 43 LEU N N 15 128.26 0.175 . 1 . . . . 43 LEU N . 19672 1
151 . 1 1 44 44 LEU H H 1 8.632 0.03 . 1 . . . . 44 LEU H . 19672 1
152 . 1 1 44 44 LEU HA H 1 4.4 0.000 . 1 . . . . 44 LEU HA . 19672 1
153 . 1 1 44 44 LEU CA C 13 55.03 0.045 . 1 . . . . 44 LEU CA . 19672 1
154 . 1 1 44 44 LEU N N 15 125.2 0.45 . 1 . . . . 44 LEU N . 19672 1
155 . 1 1 45 45 SER H H 1 8.275 0.02 . 1 . . . . 45 SER H . 19672 1
156 . 1 1 45 45 SER HA H 1 4.42 0.000 . 1 . . . . 45 SER HA . 19672 1
157 . 1 1 45 45 SER CA C 13 58.06 0.034 . 1 . . . . 45 SER CA . 19672 1
158 . 1 1 45 45 SER N N 15 117.56 0.48 . 1 . . . . 45 SER N . 19672 1
159 . 1 1 46 46 TRP H H 1 8.43 0.031 . 1 . . . . 46 TRP H . 19672 1
160 . 1 1 46 46 TRP HA H 1 4.460 0.001 . 1 . . . . 46 TRP HA . 19672 1
161 . 1 1 46 46 TRP CA C 13 58.04 0.02 . 1 . . . . 46 TRP CA . 19672 1
162 . 1 1 46 46 TRP N N 15 123.97 0.27 . 1 . . . . 46 TRP N . 19672 1
163 . 1 1 47 47 PRO CA C 13 63.43 0.08 . 1 . . . . 47 PRO CA . 19672 1
164 . 1 1 48 48 TYR H H 1 7.964 0.037 . 1 . . . . 48 TYR H . 19672 1
165 . 1 1 48 48 TYR HA H 1 4.47 0.013 . 1 . . . . 48 TYR HA . 19672 1
166 . 1 1 48 48 TYR CA C 13 58.14 0.027 . 1 . . . . 48 TYR CA . 19672 1
167 . 1 1 48 48 TYR N N 15 121.16 0.175 . 1 . . . . 48 TYR N . 19672 1
168 . 1 1 49 49 THR H H 1 8.175 0.03 . 1 . . . . 49 THR H . 19672 1
169 . 1 1 49 49 THR HA H 1 4.37 0.000 . 1 . . . . 49 THR HA . 19672 1
170 . 1 1 49 49 THR CA C 13 62.17 0.04 . 1 . . . . 49 THR CA . 19672 1
171 . 1 1 49 49 THR N N 15 116.85 0.41 . 1 . . . . 49 THR N . 19672 1
172 . 1 1 50 50 LEU H H 1 8.268 0.03 . 1 . . . . 50 LEU H . 19672 1
173 . 1 1 50 50 LEU HA H 1 4.35 0.000 . 1 . . . . 50 LEU HA . 19672 1
174 . 1 1 50 50 LEU CA C 13 55.15 0.029 . 1 . . . . 50 LEU CA . 19672 1
175 . 1 1 50 50 LEU N N 15 126.2 0.113 . 1 . . . . 50 LEU N . 19672 1
176 . 1 1 51 51 LEU H H 1 8.526 0.030 . 1 . . . . 51 LEU H . 19672 1
177 . 1 1 51 51 LEU HA H 1 4.42 0.000 . 1 . . . . 51 LEU HA . 19672 1
178 . 1 1 51 51 LEU CA C 13 55.09 0.000 . 1 . . . . 51 LEU CA . 19672 1
179 . 1 1 51 51 LEU N N 15 125.12 0.206 . 1 . . . . 51 LEU N . 19672 1
180 . 1 1 52 52 ARG H H 1 8.75 0.023 . 1 . . . . 52 ARG H . 19672 1
181 . 1 1 52 52 ARG HA H 1 4.49 0.000 . 1 . . . . 52 ARG HA . 19672 1
182 . 1 1 52 52 ARG CA C 13 55.9 0.09 . 1 . . . . 52 ARG CA . 19672 1
183 . 1 1 52 52 ARG N N 15 122.25 0.016 . 1 . . . . 52 ARG N . 19672 1
184 . 1 1 53 53 ARG H H 1 8.75 0.023 . 1 . . . . 53 ARG H . 19672 1
185 . 1 1 53 53 ARG HA H 1 4.49 0.000 . 1 . . . . 53 ARG HA . 19672 1
186 . 1 1 53 53 ARG CA C 13 55.9 0.052 . 1 . . . . 53 ARG CA . 19672 1
187 . 1 1 53 53 ARG N N 15 122.25 0.016 . 1 . . . . 53 ARG N . 19672 1
188 . 1 1 54 54 TYR H H 1 8.315 0.037 . 1 . . . . 54 TYR H . 19672 1
189 . 1 1 54 54 TYR HA H 1 4.66 0.002 . 1 . . . . 54 TYR HA . 19672 1
190 . 1 1 54 54 TYR CA C 13 57.69 0.048 . 1 . . . . 54 TYR CA . 19672 1
191 . 1 1 54 54 TYR N N 15 122.6 0.265 . 1 . . . . 54 TYR N . 19672 1
192 . 1 1 55 55 GLY H H 1 8.516 0.038 . 1 . . . . 55 GLY H . 19672 1
193 . 1 1 55 55 GLY HA2 H 1 4.02 0.007 . 1 . . . . 55 GLY HA2 . 19672 1
194 . 1 1 55 55 GLY HA3 H 1 4.02 0.007 . 1 . . . . 55 GLY HA3 . 19672 1
195 . 1 1 55 55 GLY CA C 13 45.29 0.038 . 1 . . . . 55 GLY CA . 19672 1
196 . 1 1 55 55 GLY N N 15 111.74 0.130 . 1 . . . . 55 GLY N . 19672 1
197 . 1 1 56 56 ARG H H 1 8.415 0.034 . 1 . . . . 56 ARG H . 19672 1
198 . 1 1 56 56 ARG HA H 1 4.4 0.006 . 1 . . . . 56 ARG HA . 19672 1
199 . 1 1 56 56 ARG CA C 13 56.28 0.035 . 1 . . . . 56 ARG CA . 19672 1
200 . 1 1 56 56 ARG N N 15 121.86 0.241 . 1 . . . . 56 ARG N . 19672 1
201 . 1 1 57 57 ASP H H 1 8.57 0.033 . 1 . . . . 57 ASP H . 19672 1
202 . 1 1 57 57 ASP HA H 1 4.67 0.003 . 1 . . . . 57 ASP HA . 19672 1
203 . 1 1 57 57 ASP CA C 13 54.5 0.015 . 1 . . . . 57 ASP CA . 19672 1
204 . 1 1 57 57 ASP N N 15 122.43 0.335 . 1 . . . . 57 ASP N . 19672 1
205 . 1 1 58 58 LYS H H 1 8.41 0.035 . 1 . . . . 58 LYS H . 19672 1
206 . 1 1 58 58 LYS HA H 1 4.31 0.000 . 1 . . . . 58 LYS HA . 19672 1
207 . 1 1 58 58 LYS CA C 13 56.47 0.017 . 1 . . . . 58 LYS CA . 19672 1
208 . 1 1 58 58 LYS N N 15 122.81 0.282 . 1 . . . . 58 LYS N . 19672 1
209 . 1 1 59 59 VAL H H 1 8.323 0.037 . 1 . . . . 59 VAL H . 19672 1
210 . 1 1 59 59 VAL HA H 1 4.08 0.000 . 1 . . . . 59 VAL HA . 19672 1
211 . 1 1 59 59 VAL CA C 13 62.41 0.000 . 1 . . . . 59 VAL CA . 19672 1
212 . 1 1 59 59 VAL N N 15 123.52 0.024 . 1 . . . . 59 VAL N . 19672 1
213 . 1 1 61 61 PHE CA C 13 58.41 0.147 . 1 . . . . 61 PHE CA . 19672 1
214 . 1 1 62 62 SER H H 1 8.442 0.003 . 1 . . . . 62 SER H . 19672 1
215 . 1 1 62 62 SER HA H 1 4.69 0.000 . 1 . . . . 62 SER HA . 19672 1
216 . 1 1 62 62 SER CA C 13 57.97 0.000 . 1 . . . . 62 SER CA . 19672 1
217 . 1 1 62 62 SER N N 15 118.84 0.177 . 1 . . . . 62 SER N . 19672 1
218 . 1 1 64 64 GLU CA C 13 56.5 0.039 . 1 . . . . 64 GLU CA . 19672 1
219 . 1 1 65 65 ALA H H 1 8.347 0.033 . 1 . . . . 65 ALA H . 19672 1
220 . 1 1 65 65 ALA HA H 1 4.29 0.003 . 1 . . . . 65 ALA HA . 19672 1
221 . 1 1 65 65 ALA CA C 13 52.91 0.045 . 1 . . . . 65 ALA CA . 19672 1
222 . 1 1 65 65 ALA N N 15 126.64 0.331 . 1 . . . . 65 ALA N . 19672 1
223 . 1 1 66 66 GLY H H 1 8.443 0.035 . 1 . . . . 66 GLY H . 19672 1
224 . 1 1 66 66 GLY HA2 H 1 4.0 0.001 . 1 . . . . 66 GLY HA2 . 19672 1
225 . 1 1 66 66 GLY HA3 H 1 4.0 0.001 . 1 . . . . 66 GLY HA3 . 19672 1
226 . 1 1 66 66 GLY CA C 13 45.33 0.031 . 1 . . . . 66 GLY CA . 19672 1
227 . 1 1 66 66 GLY N N 15 108.96 0.275 . 1 . . . . 66 GLY N . 19672 1
228 . 1 1 67 67 ARG H H 1 8.2 0.025 . 1 . . . . 67 ARG H . 19672 1
229 . 1 1 67 67 ARG HA H 1 4.4 0.000 . 1 . . . . 67 ARG HA . 19672 1
230 . 1 1 67 67 ARG CA C 13 56.08 0.049 . 1 . . . . 67 ARG CA . 19672 1
231 . 1 1 67 67 ARG N N 15 121.9 0.149 . 1 . . . . 67 ARG N . 19672 1
232 . 1 1 68 68 ARG H H 1 8.696 0.041 . 1 . . . . 68 ARG H . 19672 1
233 . 1 1 68 68 ARG HA H 1 4.4 0.000 . 1 . . . . 68 ARG HA . 19672 1
234 . 1 1 68 68 ARG CA C 13 56.01 0.068 . 1 . . . . 68 ARG CA . 19672 1
235 . 1 1 68 68 ARG N N 15 123.77 0.398 . 1 . . . . 68 ARG N . 19672 1
236 . 1 1 69 69 CYS H H 1 8.727 0.039 . 1 . . . . 69 CYS H . 19672 1
237 . 1 1 69 69 CYS HA H 1 4.593 0.000 . 1 . . . . 69 CYS HA . 19672 1
238 . 1 1 69 69 CYS CA C 13 55.898 0.000 . 1 . . . . 69 CYS CA . 19672 1
239 . 1 1 69 69 CYS N N 15 119.639 0.327 . 1 . . . . 69 CYS N . 19672 1
240 . 1 1 70 70 PRO CA C 13 63.55 0.059 . 1 . . . . 70 PRO CA . 19672 1
241 . 1 1 71 71 SER H H 1 8.48 0.040 . 1 . . . . 71 SER H . 19672 1
242 . 1 1 71 71 SER HA H 1 4.51 0.000 . 1 . . . . 71 SER HA . 19672 1
243 . 1 1 71 71 SER CA C 13 58.29 0.068 . 1 . . . . 71 SER CA . 19672 1
244 . 1 1 71 71 SER N N 15 117.14 0.182 . 1 . . . . 71 SER N . 19672 1
245 . 1 1 72 72 GLY H H 1 8.352 0.030 . 1 . . . . 72 GLY H . 19672 1
246 . 1 1 72 72 GLY HA2 H 1 4.2 0.009 . 1 . . . . 72 GLY HA2 . 19672 1
247 . 1 1 72 72 GLY HA3 H 1 4.2 0.009 . 1 . . . . 72 GLY HA3 . 19672 1
248 . 1 1 72 72 GLY CA C 13 44.7 0.099 . 1 . . . . 72 GLY CA . 19672 1
249 . 1 1 72 72 GLY N N 15 111.55 0.350 . 1 . . . . 72 GLY N . 19672 1
250 . 1 1 73 73 PRO CA C 13 63.57 0.000 . 1 . . . . 73 PRO CA . 19672 1
251 . 1 1 74 74 GLY H H 1 8.6 0.037 . 1 . . . . 74 GLY H . 19672 1
252 . 1 1 74 74 GLY HA2 H 1 4.2 0.002 . 1 . . . . 74 GLY HA2 . 19672 1
253 . 1 1 74 74 GLY HA3 H 1 4.2 0.002 . 1 . . . . 74 GLY HA3 . 19672 1
254 . 1 1 74 74 GLY CA C 13 45.29 0.030 . 1 . . . . 74 GLY CA . 19672 1
255 . 1 1 74 74 GLY N N 15 110.56 0.229 . 1 . . . . 74 GLY N . 19672 1
256 . 1 1 75 75 THR H H 1 8.04 0.029 . 1 . . . . 75 THR H . 19672 1
257 . 1 1 75 75 THR HA H 1 4.37 0.005 . 1 . . . . 75 THR HA . 19672 1
258 . 1 1 75 75 THR CA C 13 61.87 0.039 . 1 . . . . 75 THR CA . 19672 1
259 . 1 1 75 75 THR N N 15 114.7 0.022 . 1 . . . . 75 THR N . 19672 1
260 . 1 1 76 76 PHE H H 1 8.478 0.038 . 1 . . . . 76 PHE H . 19672 1
261 . 1 1 76 76 PHE HA H 1 4.67 0.007 . 1 . . . . 76 PHE HA . 19672 1
262 . 1 1 76 76 PHE CA C 13 57.68 0.075 . 1 . . . . 76 PHE CA . 19672 1
263 . 1 1 76 76 PHE N N 15 124.05 0.226 . 1 . . . . 76 PHE N . 19672 1
264 . 1 1 77 77 THR H H 1 8.213 0.027 . 1 . . . . 77 THR H . 19672 1
265 . 1 1 77 77 THR HA H 1 4.38 0.000 . 1 . . . . 77 THR HA . 19672 1
266 . 1 1 77 77 THR CA C 13 61.58 0.147 . 1 . . . . 77 THR CA . 19672 1
267 . 1 1 77 77 THR N N 15 117.76 0.378 . 1 . . . . 77 THR N . 19672 1
268 . 1 1 78 78 PHE H H 1 8.383 0.039 . 1 . . . . 78 PHE H . 19672 1
269 . 1 1 78 78 PHE HA H 1 4.43 0.014 . 1 . . . . 78 PHE HA . 19672 1
270 . 1 1 78 78 PHE CA C 13 57.86 0.070 . 1 . . . . 78 PHE CA . 19672 1
271 . 1 1 78 78 PHE N N 15 124.05 0.030 . 1 . . . . 78 PHE N . 19672 1
272 . 1 1 79 79 GLN H H 1 8.56 0.036 . 1 . . . . 79 GLN H . 19672 1
273 . 1 1 79 79 GLN HA H 1 4.46 0.000 . 1 . . . . 79 GLN HA . 19672 1
274 . 1 1 79 79 GLN CA C 13 55.91 0.096 . 1 . . . . 79 GLN CA . 19672 1
275 . 1 1 79 79 GLN N N 15 123.64 0.254 . 1 . . . . 79 GLN N . 19672 1
276 . 1 1 80 80 THR H H 1 8.26 0.024 . 1 . . . . 80 THR H . 19672 1
277 . 1 1 80 80 THR HA H 1 4.48 0.000 . 1 . . . . 80 THR HA . 19672 1
278 . 1 1 80 80 THR CA C 13 61.72 0.065 . 1 . . . . 80 THR CA . 19672 1
279 . 1 1 80 80 THR N N 15 116.9 0.268 . 1 . . . . 80 THR N . 19672 1
280 . 1 1 81 81 ALA H H 1 8.524 0.035 . 1 . . . . 81 ALA H . 19672 1
281 . 1 1 81 81 ALA HA H 1 4.39 0.009 . 1 . . . . 81 ALA HA . 19672 1
282 . 1 1 81 81 ALA CA C 13 52.69 0.032 . 1 . . . . 81 ALA CA . 19672 1
283 . 1 1 81 81 ALA N N 15 127.5 0.121 . 1 . . . . 81 ALA N . 19672 1
284 . 1 1 82 82 GLN H H 1 8.54 0.035 . 1 . . . . 82 GLN H . 19672 1
285 . 1 1 82 82 GLN HA H 1 4.32 0.000 . 1 . . . . 82 GLN HA . 19672 1
286 . 1 1 82 82 GLN CA C 13 56.84 0.147 . 1 . . . . 82 GLN CA . 19672 1
287 . 1 1 82 82 GLN N N 15 121.7 0.318 . 1 . . . . 82 GLN N . 19672 1
288 . 1 1 83 83 GLY H H 1 8.53 0.034 . 1 . . . . 83 GLY H . 19672 1
289 . 1 1 83 83 GLY HA2 H 1 4.02 0.000 . 1 . . . . 83 GLY HA2 . 19672 1
290 . 1 1 83 83 GLY HA3 H 1 4.02 0.000 . 1 . . . . 83 GLY HA3 . 19672 1
291 . 1 1 83 83 GLY CA C 13 45.29 0.043 . 1 . . . . 83 GLY CA . 19672 1
292 . 1 1 83 83 GLY N N 15 111.88 0.338 . 1 . . . . 83 GLY N . 19672 1
293 . 1 1 84 84 ASN H H 1 8.448 0.034 . 1 . . . . 84 ASN H . 19672 1
294 . 1 1 84 84 ASN HA H 1 4.8 0.000 . 1 . . . . 84 ASN HA . 19672 1
295 . 1 1 84 84 ASN CA C 13 53.25 0.100 . 1 . . . . 84 ASN CA . 19672 1
296 . 1 1 84 84 ASN N N 15 119.89 0.266 . 1 . . . . 84 ASN N . 19672 1
297 . 1 1 85 85 ASP H H 1 8.554 0.035 . 1 . . . . 85 ASP H . 19672 1
298 . 1 1 85 85 ASP HA H 1 4.66 0.003 . 1 . . . . 85 ASP HA . 19672 1
299 . 1 1 85 85 ASP CA C 13 54.5 0.041 . 1 . . . . 85 ASP CA . 19672 1
300 . 1 1 85 85 ASP N N 15 122.1 0.259 . 1 . . . . 85 ASP N . 19672 1
301 . 1 1 86 86 ILE H H 1 8.08 0.035 . 1 . . . . 86 ILE H . 19672 1
302 . 1 1 86 86 ILE HA H 1 4.15 0.003 . 1 . . . . 86 ILE HA . 19672 1
303 . 1 1 86 86 ILE CA C 13 61.47 0.048 . 1 . . . . 86 ILE CA . 19672 1
304 . 1 1 86 86 ILE N N 15 121.4 0.287 . 1 . . . . 86 ILE N . 19672 1
305 . 1 1 87 87 PHE H H 1 8.4 0.036 . 1 . . . . 87 PHE H . 19672 1
306 . 1 1 87 87 PHE HA H 1 4.68 0.006 . 1 . . . . 87 PHE HA . 19672 1
307 . 1 1 87 87 PHE CA C 13 57.81 0.055 . 1 . . . . 87 PHE CA . 19672 1
308 . 1 1 87 87 PHE N N 15 125.2 0.229 . 1 . . . . 87 PHE N . 19672 1
309 . 1 1 88 88 GLN H H 1 8.316 0.033 . 1 . . . . 88 GLN H . 19672 1
310 . 1 1 88 88 GLN HA H 1 4.37 0.000 . 1 . . . . 88 GLN HA . 19672 1
311 . 1 1 88 88 GLN CA C 13 55.55 0.121 . 1 . . . . 88 GLN CA . 19672 1
312 . 1 1 88 88 GLN N N 15 124.03 0.203 . 1 . . . . 88 GLN N . 19672 1
313 . 1 1 89 89 ALA H H 1 8.41 0.036 . 1 . . . . 89 ALA H . 19672 1
314 . 1 1 89 89 ALA HA H 1 4.33 0.004 . 1 . . . . 89 ALA HA . 19672 1
315 . 1 1 89 89 ALA CA C 13 52.53 0.018 . 1 . . . . 89 ALA CA . 19672 1
316 . 1 1 89 89 ALA N N 15 127.51 0.435 . 1 . . . . 89 ALA N . 19672 1
317 . 1 1 90 90 VAL H H 1 8.292 0.038 . 1 . . . . 90 VAL H . 19672 1
318 . 1 1 90 90 VAL HA H 1 4.14 0.006 . 1 . . . . 90 VAL HA . 19672 1
319 . 1 1 90 90 VAL CA C 13 62.48 0.013 . 1 . . . . 90 VAL CA . 19672 1
320 . 1 1 90 90 VAL N N 15 121.04 0.106 . 1 . . . . 90 VAL N . 19672 1
321 . 1 1 91 91 GLU H H 1 8.676 0.034 . 1 . . . . 91 GLU H . 19672 1
322 . 1 1 91 91 GLU HA H 1 4.4 0.004 . 1 . . . . 91 GLU HA . 19672 1
323 . 1 1 91 91 GLU CA C 13 56.71 0.041 . 1 . . . . 91 GLU CA . 19672 1
324 . 1 1 91 91 GLU N N 15 125.93 0.396 . 1 . . . . 91 GLU N . 19672 1
325 . 1 1 92 92 THR H H 1 8.296 0.034 . 1 . . . . 92 THR H . 19672 1
326 . 1 1 92 92 THR HA H 1 4.4 0.007 . 1 . . . . 92 THR HA . 19672 1
327 . 1 1 92 92 THR CA C 13 62.0 0.046 . 1 . . . . 92 THR CA . 19672 1
328 . 1 1 92 92 THR N N 15 116.74 0.228 . 1 . . . . 92 THR N . 19672 1
329 . 1 1 93 93 ALA H H 1 8.373 0.029 . 1 . . . . 93 ALA H . 19672 1
330 . 1 1 93 93 ALA HA H 1 4.37 0.009 . 1 . . . . 93 ALA HA . 19672 1
331 . 1 1 93 93 ALA CA C 13 52.6 0.012 . 1 . . . . 93 ALA CA . 19672 1
332 . 1 1 93 93 ALA N N 15 127.65 0.239 . 1 . . . . 93 ALA N . 19672 1
333 . 1 1 94 94 ILE H H 1 8.163 0.035 . 1 . . . . 94 ILE H . 19672 1
334 . 1 1 94 94 ILE HA H 1 4.13 0.000 . 1 . . . . 94 ILE HA . 19672 1
335 . 1 1 94 94 ILE CA C 13 61.26 0.066 . 1 . . . . 94 ILE CA . 19672 1
336 . 1 1 94 94 ILE N N 15 121.24 0.309 . 1 . . . . 94 ILE N . 19672 1
337 . 1 1 95 95 HIS H H 1 8.67 0.039 . 1 . . . . 95 HIS H . 19672 1
338 . 1 1 95 95 HIS HA H 1 4.4 0.000 . 1 . . . . 95 HIS HA . 19672 1
339 . 1 1 95 95 HIS CA C 13 55.32 0.000 . 1 . . . . 95 HIS CA . 19672 1
340 . 1 1 95 95 HIS N N 15 124.86 0.170 . 1 . . . . 95 HIS N . 19672 1
341 . 1 1 96 96 ARG CA C 13 56.39 0.126 . 1 . . . . 96 ARG CA . 19672 1
342 . 1 1 97 97 GLN H H 1 8.49 0.026 . 1 . . . . 97 GLN H . 19672 1
343 . 1 1 97 97 GLN HA H 1 4.3 0.004 . 1 . . . . 97 GLN HA . 19672 1
344 . 1 1 97 97 GLN CA C 13 56.39 0.126 . 1 . . . . 97 GLN CA . 19672 1
345 . 1 1 97 97 GLN N N 15 123.91 0.390 . 1 . . . . 97 GLN N . 19672 1
346 . 1 1 98 98 LYS H H 1 8.629 0.032 . 1 . . . . 98 LYS H . 19672 1
347 . 1 1 98 98 LYS HA H 1 4.4 0.000 . 1 . . . . 98 LYS HA . 19672 1
348 . 1 1 98 98 LYS CA C 13 56.42 0.119 . 1 . . . . 98 LYS CA . 19672 1
349 . 1 1 98 98 LYS N N 15 124.99 0.280 . 1 . . . . 98 LYS N . 19672 1
350 . 1 1 99 99 ALA H H 1 8.582 0.038 . 1 . . . . 99 ALA H . 19672 1
351 . 1 1 99 99 ALA HA H 1 4.35 0.000 . 1 . . . . 99 ALA HA . 19672 1
352 . 1 1 99 99 ALA CA C 13 52.7 0.025 . 1 . . . . 99 ALA CA . 19672 1
353 . 1 1 99 99 ALA N N 15 127.55 0.338 . 1 . . . . 99 ALA N . 19672 1
354 . 1 1 100 100 GLN H H 1 8.495 0.038 . 1 . . . . 100 GLN H . 19672 1
355 . 1 1 100 100 GLN HA H 1 4.38 0.000 . 1 . . . . 100 GLN HA . 19672 1
356 . 1 1 100 100 GLN CA C 13 55.99 0.062 . 1 . . . . 100 GLN CA . 19672 1
357 . 1 1 100 100 GLN N N 15 121.31 0.327 . 1 . . . . 100 GLN N . 19672 1
358 . 1 1 101 101 GLY H H 1 8.182 0.034 . 1 . . . . 101 GLY H . 19672 1
359 . 1 1 101 101 GLY HA2 H 1 3.89 0.000 . 1 . . . . 101 GLY HA2 . 19672 1
360 . 1 1 101 101 GLY HA3 H 1 3.89 0.000 . 1 . . . . 101 GLY HA3 . 19672 1
361 . 1 1 101 101 GLY CA C 13 46.36 0.063 . 1 . . . . 101 GLY CA . 19672 1
362 . 1 1 101 101 GLY N N 15 117.9 0.454 . 1 . . . . 101 GLY N . 19672 1
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