###################################
# 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 52597
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for WT transthyretin'
_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' . . . 52597 1
2 '3D HNCA' . . . 52597 1
3 '3D HNCACB' . . . 52597 1
4 '3D HN(CO)CA' . . . 52597 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 . . 52597 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 3 3 THR H H 1 8.311 0.020 . 1 . . . . . 3 THR H . 52597 1
2 . 1 . 1 3 3 THR CA C 13 61.641 0.3 . 1 . . . . . 3 THR CA . 52597 1
3 . 1 . 1 3 3 THR N N 15 113.930 0.3 . 1 . . . . . 3 THR N . 52597 1
4 . 1 . 1 4 4 GLY H H 1 8.412 0.020 . 1 . . . . . 4 GLY H . 52597 1
5 . 1 . 1 4 4 GLY CA C 13 44.990 0.3 . 1 . . . . . 4 GLY CA . 52597 1
6 . 1 . 1 4 4 GLY N N 15 110.960 0.3 . 1 . . . . . 4 GLY N . 52597 1
7 . 1 . 1 5 5 THR H H 1 8.115 0.020 . 1 . . . . . 5 THR H . 52597 1
8 . 1 . 1 5 5 THR CA C 13 61.516 0.3 . 1 . . . . . 5 THR CA . 52597 1
9 . 1 . 1 5 5 THR N N 15 112.769 0.3 . 1 . . . . . 5 THR N . 52597 1
10 . 1 . 1 6 6 GLY H H 1 8.423 0.020 . 1 . . . . . 6 GLY H . 52597 1
11 . 1 . 1 6 6 GLY CA C 13 45.012 0.3 . 1 . . . . . 6 GLY CA . 52597 1
12 . 1 . 1 6 6 GLY N N 15 110.893 0.3 . 1 . . . . . 6 GLY N . 52597 1
13 . 1 . 1 7 7 GLU H H 1 8.201 0.020 . 1 . . . . . 7 GLU H . 52597 1
14 . 1 . 1 7 7 GLU CA C 13 56.117 0.3 . 1 . . . . . 7 GLU CA . 52597 1
15 . 1 . 1 7 7 GLU N N 15 120.501 0.3 . 1 . . . . . 7 GLU N . 52597 1
16 . 1 . 1 8 8 SER H H 1 8.316 0.020 . 1 . . . . . 8 SER H . 52597 1
17 . 1 . 1 8 8 SER CA C 13 58.040 0.3 . 1 . . . . . 8 SER CA . 52597 1
18 . 1 . 1 8 8 SER N N 15 116.766 0.3 . 1 . . . . . 8 SER N . 52597 1
19 . 1 . 1 9 9 LYS H H 1 8.412 0.020 . 1 . . . . . 9 LYS H . 52597 1
20 . 1 . 1 9 9 LYS CA C 13 55.205 0.3 . 1 . . . . . 9 LYS CA . 52597 1
21 . 1 . 1 9 9 LYS N N 15 123.014 0.3 . 1 . . . . . 9 LYS N . 52597 1
22 . 1 . 1 10 10 CYS H H 1 8.185 0.020 . 1 . . . . . 10 CYS H . 52597 1
23 . 1 . 1 10 10 CYS CA C 13 55.326 0.3 . 1 . . . . . 10 CYS CA . 52597 1
24 . 1 . 1 10 10 CYS N N 15 121.850 0.3 . 1 . . . . . 10 CYS N . 52597 1
25 . 1 . 1 12 12 LEU H H 1 6.972 0.020 . 1 . . . . . 12 LEU H . 52597 1
26 . 1 . 1 12 12 LEU CA C 13 53.405 0.3 . 1 . . . . . 12 LEU CA . 52597 1
27 . 1 . 1 12 12 LEU N N 15 120.240 0.3 . 1 . . . . . 12 LEU N . 52597 1
28 . 1 . 1 13 13 MET H H 1 8.692 0.020 . 1 . . . . . 13 MET H . 52597 1
29 . 1 . 1 13 13 MET CA C 13 54.040 0.3 . 1 . . . . . 13 MET CA . 52597 1
30 . 1 . 1 13 13 MET N N 15 126.560 0.3 . 1 . . . . . 13 MET N . 52597 1
31 . 1 . 1 14 14 VAL H H 1 7.502 0.020 . 1 . . . . . 14 VAL H . 52597 1
32 . 1 . 1 14 14 VAL CA C 13 59.583 0.3 . 1 . . . . . 14 VAL CA . 52597 1
33 . 1 . 1 14 14 VAL N N 15 122.232 0.3 . 1 . . . . . 14 VAL N . 52597 1
34 . 1 . 1 15 15 LYS H H 1 8.817 0.020 . 1 . . . . . 15 LYS H . 52597 1
35 . 1 . 1 15 15 LYS CA C 13 54.177 0.3 . 1 . . . . . 15 LYS CA . 52597 1
36 . 1 . 1 15 15 LYS N N 15 126.987 0.3 . 1 . . . . . 15 LYS N . 52597 1
37 . 1 . 1 16 16 VAL H H 1 9.063 0.020 . 1 . . . . . 16 VAL H . 52597 1
38 . 1 . 1 16 16 VAL CA C 13 60.490 0.3 . 1 . . . . . 16 VAL CA . 52597 1
39 . 1 . 1 16 16 VAL N N 15 124.060 0.3 . 1 . . . . . 16 VAL N . 52597 1
40 . 1 . 1 17 17 LEU H H 1 8.540 0.020 . 1 . . . . . 17 LEU H . 52597 1
41 . 1 . 1 17 17 LEU CA C 13 53.499 0.3 . 1 . . . . . 17 LEU CA . 52597 1
42 . 1 . 1 17 17 LEU N N 15 126.436 0.3 . 1 . . . . . 17 LEU N . 52597 1
43 . 1 . 1 18 18 ASP H H 1 8.688 0.020 . 1 . . . . . 18 ASP H . 52597 1
44 . 1 . 1 18 18 ASP CA C 13 52.759 0.3 . 1 . . . . . 18 ASP CA . 52597 1
45 . 1 . 1 18 18 ASP N N 15 121.536 0.3 . 1 . . . . . 18 ASP N . 52597 1
46 . 1 . 1 19 19 ALA H H 1 9.069 0.020 . 1 . . . . . 19 ALA H . 52597 1
47 . 1 . 1 19 19 ALA CA C 13 53.270 0.3 . 1 . . . . . 19 ALA CA . 52597 1
48 . 1 . 1 19 19 ALA N N 15 127.463 0.3 . 1 . . . . . 19 ALA N . 52597 1
49 . 1 . 1 20 20 VAL H H 1 9.707 0.020 . 1 . . . . . 20 VAL H . 52597 1
50 . 1 . 1 20 20 VAL CA C 13 65.117 0.3 . 1 . . . . . 20 VAL CA . 52597 1
51 . 1 . 1 20 20 VAL N N 15 120.375 0.3 . 1 . . . . . 20 VAL N . 52597 1
52 . 1 . 1 22 22 GLY H H 1 7.480 0.020 . 1 . . . . . 22 GLY H . 52597 1
53 . 1 . 1 22 22 GLY CA C 13 46.824 0.3 . 1 . . . . . 22 GLY CA . 52597 1
54 . 1 . 1 22 22 GLY N N 15 109.412 0.3 . 1 . . . . . 22 GLY N . 52597 1
55 . 1 . 1 23 23 SER H H 1 7.442 0.020 . 1 . . . . . 23 SER H . 52597 1
56 . 1 . 1 23 23 SER CA C 13 54.808 0.3 . 1 . . . . . 23 SER CA . 52597 1
57 . 1 . 1 23 23 SER N N 15 111.221 0.3 . 1 . . . . . 23 SER N . 52597 1
58 . 1 . 1 25 25 ALA H H 1 8.044 0.020 . 1 . . . . . 25 ALA H . 52597 1
59 . 1 . 1 25 25 ALA CA C 13 50.299 0.3 . 1 . . . . . 25 ALA CA . 52597 1
60 . 1 . 1 25 25 ALA N N 15 127.207 0.3 . 1 . . . . . 25 ALA N . 52597 1
61 . 1 . 1 26 26 ILE H H 1 7.916 0.020 . 1 . . . . . 26 ILE H . 52597 1
62 . 1 . 1 26 26 ILE CA C 13 61.389 0.3 . 1 . . . . . 26 ILE CA . 52597 1
63 . 1 . 1 26 26 ILE N N 15 126.952 0.3 . 1 . . . . . 26 ILE N . 52597 1
64 . 1 . 1 27 27 ASN H H 1 7.820 0.020 . 1 . . . . . 27 ASN H . 52597 1
65 . 1 . 1 27 27 ASN CA C 13 53.910 0.3 . 1 . . . . . 27 ASN CA . 52597 1
66 . 1 . 1 27 27 ASN N N 15 122.241 0.3 . 1 . . . . . 27 ASN N . 52597 1
67 . 1 . 1 28 28 VAL H H 1 8.411 0.020 . 1 . . . . . 28 VAL H . 52597 1
68 . 1 . 1 28 28 VAL CA C 13 61.130 0.3 . 1 . . . . . 28 VAL CA . 52597 1
69 . 1 . 1 28 28 VAL N N 15 119.920 0.3 . 1 . . . . . 28 VAL N . 52597 1
70 . 1 . 1 29 29 ALA H H 1 9.166 0.020 . 1 . . . . . 29 ALA H . 52597 1
71 . 1 . 1 29 29 ALA CA C 13 52.389 0.3 . 1 . . . . . 29 ALA CA . 52597 1
72 . 1 . 1 29 29 ALA N N 15 130.812 0.3 . 1 . . . . . 29 ALA N . 52597 1
73 . 1 . 1 30 30 VAL H H 1 8.404 0.020 . 1 . . . . . 30 VAL H . 52597 1
74 . 1 . 1 30 30 VAL CA C 13 60.243 0.3 . 1 . . . . . 30 VAL CA . 52597 1
75 . 1 . 1 30 30 VAL N N 15 122.115 0.3 . 1 . . . . . 30 VAL N . 52597 1
76 . 1 . 1 31 31 HIS H H 1 9.029 0.020 . 1 . . . . . 31 HIS H . 52597 1
77 . 1 . 1 31 31 HIS CA C 13 54.682 0.3 . 1 . . . . . 31 HIS CA . 52597 1
78 . 1 . 1 31 31 HIS N N 15 124.362 0.3 . 1 . . . . . 31 HIS N . 52597 1
79 . 1 . 1 32 32 VAL H H 1 9.251 0.020 . 1 . . . . . 32 VAL H . 52597 1
80 . 1 . 1 32 32 VAL CA C 13 59.652 0.3 . 1 . . . . . 32 VAL CA . 52597 1
81 . 1 . 1 32 32 VAL N N 15 121.663 0.3 . 1 . . . . . 32 VAL N . 52597 1
82 . 1 . 1 33 33 PHE H H 1 9.955 0.020 . 1 . . . . . 33 PHE H . 52597 1
83 . 1 . 1 33 33 PHE CA C 13 55.851 0.3 . 1 . . . . . 33 PHE CA . 52597 1
84 . 1 . 1 33 33 PHE N N 15 128.342 0.3 . 1 . . . . . 33 PHE N . 52597 1
85 . 1 . 1 34 34 ARG H H 1 9.522 0.020 . 1 . . . . . 34 ARG H . 52597 1
86 . 1 . 1 34 34 ARG CA C 13 53.910 0.3 . 1 . . . . . 34 ARG CA . 52597 1
87 . 1 . 1 34 34 ARG N N 15 122.500 0.3 . 1 . . . . . 34 ARG N . 52597 1
88 . 1 . 1 35 35 LYS H H 1 8.633 0.020 . 1 . . . . . 35 LYS H . 52597 1
89 . 1 . 1 35 35 LYS CA C 13 57.010 0.3 . 1 . . . . . 35 LYS CA . 52597 1
90 . 1 . 1 35 35 LYS N N 15 130.112 0.3 . 1 . . . . . 35 LYS N . 52597 1
91 . 1 . 1 36 36 ALA H H 1 8.836 0.020 . 1 . . . . . 36 ALA H . 52597 1
92 . 1 . 1 36 36 ALA CA C 13 50.572 0.3 . 1 . . . . . 36 ALA CA . 52597 1
93 . 1 . 1 36 36 ALA N N 15 131.393 0.3 . 1 . . . . . 36 ALA N . 52597 1
94 . 1 . 1 37 37 ALA H H 1 8.406 0.020 . 1 . . . . . 37 ALA H . 52597 1
95 . 1 . 1 37 37 ALA CA C 13 53.781 0.3 . 1 . . . . . 37 ALA CA . 52597 1
96 . 1 . 1 37 37 ALA N N 15 122.163 0.3 . 1 . . . . . 37 ALA N . 52597 1
97 . 1 . 1 38 38 ASP H H 1 7.736 0.020 . 1 . . . . . 38 ASP H . 52597 1
98 . 1 . 1 38 38 ASP CA C 13 52.754 0.3 . 1 . . . . . 38 ASP CA . 52597 1
99 . 1 . 1 38 38 ASP CB C 13 38.958 0.3 . 1 . . . . . 38 ASP CB . 52597 1
100 . 1 . 1 38 38 ASP N N 15 115.618 0.3 . 1 . . . . . 38 ASP N . 52597 1
101 . 1 . 1 39 39 ASP H H 1 7.930 0.020 . 1 . . . . . 39 ASP H . 52597 1
102 . 1 . 1 39 39 ASP CA C 13 55.713 0.3 . 1 . . . . . 39 ASP CA . 52597 1
103 . 1 . 1 39 39 ASP N N 15 112.766 0.3 . 1 . . . . . 39 ASP N . 52597 1
104 . 1 . 1 40 40 THR H H 1 7.278 0.020 . 1 . . . . . 40 THR H . 52597 1
105 . 1 . 1 40 40 THR CA C 13 61.135 0.3 . 1 . . . . . 40 THR CA . 52597 1
106 . 1 . 1 40 40 THR N N 15 110.449 0.3 . 1 . . . . . 40 THR N . 52597 1
107 . 1 . 1 41 41 TRP H H 1 8.413 0.020 . 1 . . . . . 41 TRP H . 52597 1
108 . 1 . 1 41 41 TRP CA C 13 55.200 0.3 . 1 . . . . . 41 TRP CA . 52597 1
109 . 1 . 1 41 41 TRP N N 15 119.993 0.3 . 1 . . . . . 41 TRP N . 52597 1
110 . 1 . 1 42 42 GLU H H 1 9.264 0.020 . 1 . . . . . 42 GLU H . 52597 1
111 . 1 . 1 42 42 GLU CA C 13 52.761 0.3 . 1 . . . . . 42 GLU CA . 52597 1
112 . 1 . 1 42 42 GLU N N 15 126.557 0.3 . 1 . . . . . 42 GLU N . 52597 1
113 . 1 . 1 44 44 PHE H H 1 8.865 0.020 . 1 . . . . . 44 PHE H . 52597 1
114 . 1 . 1 44 44 PHE CA C 13 58.808 0.3 . 1 . . . . . 44 PHE CA . 52597 1
115 . 1 . 1 44 44 PHE N N 15 125.013 0.3 . 1 . . . . . 44 PHE N . 52597 1
116 . 1 . 1 45 45 ALA H H 1 7.930 0.020 . 1 . . . . . 45 ALA H . 52597 1
117 . 1 . 1 45 45 ALA CA C 13 51.987 0.3 . 1 . . . . . 45 ALA CA . 52597 1
118 . 1 . 1 45 45 ALA N N 15 118.739 0.3 . 1 . . . . . 45 ALA N . 52597 1
119 . 1 . 1 46 46 SER H H 1 8.564 0.020 . 1 . . . . . 46 SER H . 52597 1
120 . 1 . 1 46 46 SER CA C 13 57.390 0.3 . 1 . . . . . 46 SER CA . 52597 1
121 . 1 . 1 46 46 SER N N 15 113.034 0.3 . 1 . . . . . 46 SER N . 52597 1
122 . 1 . 1 47 47 GLY H H 1 8.465 0.020 . 1 . . . . . 47 GLY H . 52597 1
123 . 1 . 1 47 47 GLY CA C 13 45.407 0.3 . 1 . . . . . 47 GLY CA . 52597 1
124 . 1 . 1 47 47 GLY N N 15 106.643 0.3 . 1 . . . . . 47 GLY N . 52597 1
125 . 1 . 1 48 48 LYS H H 1 8.479 0.020 . 1 . . . . . 48 LYS H . 52597 1
126 . 1 . 1 48 48 LYS CA C 13 53.389 0.3 . 1 . . . . . 48 LYS CA . 52597 1
127 . 1 . 1 48 48 LYS N N 15 119.857 0.3 . 1 . . . . . 48 LYS N . 52597 1
128 . 1 . 1 49 49 THR H H 1 8.689 0.020 . 1 . . . . . 49 THR H . 52597 1
129 . 1 . 1 49 49 THR CA C 13 61.895 0.3 . 1 . . . . . 49 THR CA . 52597 1
130 . 1 . 1 49 49 THR N N 15 111.552 0.3 . 1 . . . . . 49 THR N . 52597 1
131 . 1 . 1 50 50 SER H H 1 8.561 0.020 . 1 . . . . . 50 SER H . 52597 1
132 . 1 . 1 50 50 SER CA C 13 56.810 0.3 . 1 . . . . . 50 SER CA . 52597 1
133 . 1 . 1 50 50 SER N N 15 118.244 0.3 . 1 . . . . . 50 SER N . 52597 1
134 . 1 . 1 51 51 GLU H H 1 9.122 0.020 . 1 . . . . . 51 GLU H . 52597 1
135 . 1 . 1 51 51 GLU CA C 13 58.811 0.3 . 1 . . . . . 51 GLU CA . 52597 1
136 . 1 . 1 51 51 GLU N N 15 118.442 0.3 . 1 . . . . . 51 GLU N . 52597 1
137 . 1 . 1 52 52 SER H H 1 8.122 0.020 . 1 . . . . . 52 SER H . 52597 1
138 . 1 . 1 52 52 SER CA C 13 57.016 0.3 . 1 . . . . . 52 SER CA . 52597 1
139 . 1 . 1 52 52 SER N N 15 111.481 0.3 . 1 . . . . . 52 SER N . 52597 1
140 . 1 . 1 53 53 GLY H H 1 8.586 0.020 . 1 . . . . . 53 GLY H . 52597 1
141 . 1 . 1 53 53 GLY CA C 13 45.272 0.3 . 1 . . . . . 53 GLY CA . 52597 1
142 . 1 . 1 53 53 GLY N N 15 112.246 0.3 . 1 . . . . . 53 GLY N . 52597 1
143 . 1 . 1 54 54 GLU H H 1 7.177 0.020 . 1 . . . . . 54 GLU H . 52597 1
144 . 1 . 1 54 54 GLU CA C 13 54.047 0.3 . 1 . . . . . 54 GLU CA . 52597 1
145 . 1 . 1 54 54 GLU N N 15 115.600 0.3 . 1 . . . . . 54 GLU N . 52597 1
146 . 1 . 1 55 55 LEU H H 1 8.595 0.020 . 1 . . . . . 55 LEU H . 52597 1
147 . 1 . 1 55 55 LEU CA C 13 53.714 0.3 . 1 . . . . . 55 LEU CA . 52597 1
148 . 1 . 1 55 55 LEU N N 15 123.278 0.3 . 1 . . . . . 55 LEU N . 52597 1
149 . 1 . 1 58 58 LEU H H 1 8.342 0.020 . 1 . . . . . 58 LEU H . 52597 1
150 . 1 . 1 58 58 LEU CA C 13 57.121 0.3 . 1 . . . . . 58 LEU CA . 52597 1
151 . 1 . 1 58 58 LEU N N 15 119.667 0.3 . 1 . . . . . 58 LEU N . 52597 1
152 . 1 . 1 59 59 THR H H 1 7.238 0.020 . 1 . . . . . 59 THR H . 52597 1
153 . 1 . 1 59 59 THR CA C 13 58.946 0.3 . 1 . . . . . 59 THR CA . 52597 1
154 . 1 . 1 59 59 THR N N 15 107.222 0.3 . 1 . . . . . 59 THR N . 52597 1
155 . 1 . 1 60 60 THR H H 1 8.519 0.020 . 1 . . . . . 60 THR H . 52597 1
156 . 1 . 1 60 60 THR CA C 13 59.069 0.3 . 1 . . . . . 60 THR CA . 52597 1
157 . 1 . 1 60 60 THR N N 15 111.612 0.3 . 1 . . . . . 60 THR N . 52597 1
158 . 1 . 1 61 61 GLU H H 1 9.091 0.020 . 1 . . . . . 61 GLU H . 52597 1
159 . 1 . 1 61 61 GLU CA C 13 59.838 0.3 . 1 . . . . . 61 GLU CA . 52597 1
160 . 1 . 1 61 61 GLU N N 15 120.761 0.3 . 1 . . . . . 61 GLU N . 52597 1
161 . 1 . 1 62 62 GLU H H 1 8.731 0.020 . 1 . . . . . 62 GLU H . 52597 1
162 . 1 . 1 62 62 GLU CA C 13 58.953 0.3 . 1 . . . . . 62 GLU CA . 52597 1
163 . 1 . 1 62 62 GLU N N 15 115.988 0.3 . 1 . . . . . 62 GLU N . 52597 1
164 . 1 . 1 63 63 GLU H H 1 7.285 0.020 . 1 . . . . . 63 GLU H . 52597 1
165 . 1 . 1 63 63 GLU CA C 13 56.744 0.3 . 1 . . . . . 63 GLU CA . 52597 1
166 . 1 . 1 63 63 GLU N N 15 115.345 0.3 . 1 . . . . . 63 GLU N . 52597 1
167 . 1 . 1 64 64 PHE H H 1 7.825 0.020 . 1 . . . . . 64 PHE H . 52597 1
168 . 1 . 1 64 64 PHE CA C 13 54.686 0.3 . 1 . . . . . 64 PHE CA . 52597 1
169 . 1 . 1 64 64 PHE N N 15 123.469 0.3 . 1 . . . . . 64 PHE N . 52597 1
170 . 1 . 1 65 65 VAL H H 1 7.144 0.020 . 1 . . . . . 65 VAL H . 52597 1
171 . 1 . 1 65 65 VAL CA C 13 59.853 0.3 . 1 . . . . . 65 VAL CA . 52597 1
172 . 1 . 1 65 65 VAL N N 15 114.956 0.3 . 1 . . . . . 65 VAL N . 52597 1
173 . 1 . 1 66 66 GLU H H 1 8.608 0.020 . 1 . . . . . 66 GLU H . 52597 1
174 . 1 . 1 66 66 GLU CA C 13 56.488 0.3 . 1 . . . . . 66 GLU CA . 52597 1
175 . 1 . 1 66 66 GLU N N 15 121.598 0.3 . 1 . . . . . 66 GLU N . 52597 1
176 . 1 . 1 67 67 GLY H H 1 7.917 0.020 . 1 . . . . . 67 GLY H . 52597 1
177 . 1 . 1 67 67 GLY CA C 13 44.373 0.3 . 1 . . . . . 67 GLY CA . 52597 1
178 . 1 . 1 67 67 GLY N N 15 111.155 0.3 . 1 . . . . . 67 GLY N . 52597 1
179 . 1 . 1 68 68 ILE H H 1 8.342 0.020 . 1 . . . . . 68 ILE H . 52597 1
180 . 1 . 1 68 68 ILE CA C 13 60.623 0.3 . 1 . . . . . 68 ILE CA . 52597 1
181 . 1 . 1 68 68 ILE N N 15 120.313 0.3 . 1 . . . . . 68 ILE N . 52597 1
182 . 1 . 1 69 69 TYR H H 1 8.644 0.020 . 1 . . . . . 69 TYR H . 52597 1
183 . 1 . 1 69 69 TYR CA C 13 55.989 0.3 . 1 . . . . . 69 TYR CA . 52597 1
184 . 1 . 1 69 69 TYR N N 15 124.828 0.3 . 1 . . . . . 69 TYR N . 52597 1
185 . 1 . 1 70 70 LYS H H 1 8.722 0.020 . 1 . . . . . 70 LYS H . 52597 1
186 . 1 . 1 70 70 LYS CA C 13 53.141 0.3 . 1 . . . . . 70 LYS CA . 52597 1
187 . 1 . 1 70 70 LYS N N 15 118.440 0.3 . 1 . . . . . 70 LYS N . 52597 1
188 . 1 . 1 71 71 VAL H H 1 9.645 0.020 . 1 . . . . . 71 VAL H . 52597 1
189 . 1 . 1 71 71 VAL CA C 13 60.761 0.3 . 1 . . . . . 71 VAL CA . 52597 1
190 . 1 . 1 71 71 VAL N N 15 127.465 0.3 . 1 . . . . . 71 VAL N . 52597 1
191 . 1 . 1 72 72 GLU H H 1 9.760 0.020 . 1 . . . . . 72 GLU H . 52597 1
192 . 1 . 1 72 72 GLU CA C 13 54.818 0.3 . 1 . . . . . 72 GLU CA . 52597 1
193 . 1 . 1 72 72 GLU N N 15 128.297 0.3 . 1 . . . . . 72 GLU N . 52597 1
194 . 1 . 1 73 73 ILE H H 1 9.214 0.020 . 1 . . . . . 73 ILE H . 52597 1
195 . 1 . 1 73 73 ILE CA C 13 59.971 0.3 . 1 . . . . . 73 ILE CA . 52597 1
196 . 1 . 1 73 73 ILE N N 15 125.853 0.3 . 1 . . . . . 73 ILE N . 52597 1
197 . 1 . 1 74 74 ASP H H 1 8.922 0.020 . 1 . . . . . 74 ASP H . 52597 1
198 . 1 . 1 74 74 ASP CA C 13 53.018 0.3 . 1 . . . . . 74 ASP CA . 52597 1
199 . 1 . 1 74 74 ASP N N 15 127.980 0.3 . 1 . . . . . 74 ASP N . 52597 1
200 . 1 . 1 75 75 THR H H 1 8.249 0.020 . 1 . . . . . 75 THR H . 52597 1
201 . 1 . 1 75 75 THR CA C 13 64.222 0.3 . 1 . . . . . 75 THR CA . 52597 1
202 . 1 . 1 75 75 THR N N 15 117.280 0.3 . 1 . . . . . 75 THR N . 52597 1
203 . 1 . 1 76 76 LYS H H 1 7.646 0.020 . 1 . . . . . 76 LYS H . 52597 1
204 . 1 . 1 76 76 LYS CA C 13 60.104 0.3 . 1 . . . . . 76 LYS CA . 52597 1
205 . 1 . 1 76 76 LYS N N 15 124.497 0.3 . 1 . . . . . 76 LYS N . 52597 1
206 . 1 . 1 77 77 SER H H 1 8.200 0.020 . 1 . . . . . 77 SER H . 52597 1
207 . 1 . 1 77 77 SER CA C 13 61.395 0.3 . 1 . . . . . 77 SER CA . 52597 1
208 . 1 . 1 77 77 SER N N 15 112.962 0.3 . 1 . . . . . 77 SER N . 52597 1
209 . 1 . 1 78 78 TYR H H 1 6.773 0.020 . 1 . . . . . 78 TYR H . 52597 1
210 . 1 . 1 78 78 TYR CA C 13 60.875 0.3 . 1 . . . . . 78 TYR CA . 52597 1
211 . 1 . 1 78 78 TYR N N 15 121.022 0.3 . 1 . . . . . 78 TYR N . 52597 1
212 . 1 . 1 79 79 TRP H H 1 7.819 0.020 . 1 . . . . . 79 TRP H . 52597 1
213 . 1 . 1 79 79 TRP CA C 13 58.943 0.3 . 1 . . . . . 79 TRP CA . 52597 1
214 . 1 . 1 79 79 TRP N N 15 117.336 0.3 . 1 . . . . . 79 TRP N . 52597 1
215 . 1 . 1 80 80 LYS H H 1 8.804 0.020 . 1 . . . . . 80 LYS H . 52597 1
216 . 1 . 1 80 80 LYS CA C 13 59.207 0.3 . 1 . . . . . 80 LYS CA . 52597 1
217 . 1 . 1 80 80 LYS N N 15 118.377 0.3 . 1 . . . . . 80 LYS N . 52597 1
218 . 1 . 1 81 81 ALA H H 1 7.557 0.020 . 1 . . . . . 81 ALA H . 52597 1
219 . 1 . 1 81 81 ALA CA C 13 54.038 0.3 . 1 . . . . . 81 ALA CA . 52597 1
220 . 1 . 1 81 81 ALA N N 15 122.045 0.3 . 1 . . . . . 81 ALA N . 52597 1
221 . 1 . 1 82 82 LEU H H 1 7.301 0.020 . 1 . . . . . 82 LEU H . 52597 1
222 . 1 . 1 82 82 LEU CA C 13 54.038 0.3 . 1 . . . . . 82 LEU CA . 52597 1
223 . 1 . 1 82 82 LEU N N 15 117.408 0.3 . 1 . . . . . 82 LEU N . 52597 1
224 . 1 . 1 83 83 GLY H H 1 7.966 0.020 . 1 . . . . . 83 GLY H . 52597 1
225 . 1 . 1 83 83 GLY CA C 13 45.275 0.3 . 1 . . . . . 83 GLY CA . 52597 1
226 . 1 . 1 83 83 GLY N N 15 107.413 0.3 . 1 . . . . . 83 GLY N . 52597 1
227 . 1 . 1 84 84 ILE H H 1 7.943 0.020 . 1 . . . . . 84 ILE H . 52597 1
228 . 1 . 1 84 84 ILE CA C 13 59.264 0.3 . 1 . . . . . 84 ILE CA . 52597 1
229 . 1 . 1 84 84 ILE N N 15 122.756 0.3 . 1 . . . . . 84 ILE N . 52597 1
230 . 1 . 1 85 85 SER H H 1 8.477 0.020 . 1 . . . . . 85 SER H . 52597 1
231 . 1 . 1 85 85 SER CA C 13 54.545 0.3 . 1 . . . . . 85 SER CA . 52597 1
232 . 1 . 1 85 85 SER N N 15 121.921 0.3 . 1 . . . . . 85 SER N . 52597 1
233 . 1 . 1 87 87 PHE H H 1 7.336 0.020 . 1 . . . . . 87 PHE H . 52597 1
234 . 1 . 1 87 87 PHE CA C 13 60.094 0.3 . 1 . . . . . 87 PHE CA . 52597 1
235 . 1 . 1 87 87 PHE N N 15 115.612 0.3 . 1 . . . . . 87 PHE N . 52597 1
236 . 1 . 1 88 88 HIS H H 1 7.729 0.020 . 1 . . . . . 88 HIS H . 52597 1
237 . 1 . 1 88 88 HIS CA C 13 57.664 0.3 . 1 . . . . . 88 HIS CA . 52597 1
238 . 1 . 1 88 88 HIS N N 15 113.349 0.3 . 1 . . . . . 88 HIS N . 52597 1
239 . 1 . 1 90 90 HIS H H 1 8.165 0.020 . 1 . . . . . 90 HIS H . 52597 1
240 . 1 . 1 90 90 HIS CA C 13 54.301 0.3 . 1 . . . . . 90 HIS CA . 52597 1
241 . 1 . 1 90 90 HIS N N 15 116.817 0.3 . 1 . . . . . 90 HIS N . 52597 1
242 . 1 . 1 91 91 ALA H H 1 8.442 0.020 . 1 . . . . . 91 ALA H . 52597 1
243 . 1 . 1 91 91 ALA CA C 13 51.459 0.3 . 1 . . . . . 91 ALA CA . 52597 1
244 . 1 . 1 91 91 ALA N N 15 119.698 0.3 . 1 . . . . . 91 ALA N . 52597 1
245 . 1 . 1 92 92 GLU H H 1 8.418 0.020 . 1 . . . . . 92 GLU H . 52597 1
246 . 1 . 1 92 92 GLU CA C 13 54.045 0.3 . 1 . . . . . 92 GLU CA . 52597 1
247 . 1 . 1 92 92 GLU N N 15 121.564 0.3 . 1 . . . . . 92 GLU N . 52597 1
248 . 1 . 1 93 93 VAL H H 1 8.898 0.020 . 1 . . . . . 93 VAL H . 52597 1
249 . 1 . 1 93 93 VAL CA C 13 61.268 0.3 . 1 . . . . . 93 VAL CA . 52597 1
250 . 1 . 1 93 93 VAL N N 15 121.550 0.3 . 1 . . . . . 93 VAL N . 52597 1
251 . 1 . 1 94 94 VAL H H 1 9.248 0.020 . 1 . . . . . 94 VAL H . 52597 1
252 . 1 . 1 94 94 VAL CA C 13 60.877 0.3 . 1 . . . . . 94 VAL CA . 52597 1
253 . 1 . 1 94 94 VAL N N 15 128.042 0.3 . 1 . . . . . 94 VAL N . 52597 1
254 . 1 . 1 95 95 PHE H H 1 9.041 0.020 . 1 . . . . . 95 PHE H . 52597 1
255 . 1 . 1 95 95 PHE CA C 13 55.605 0.3 . 1 . . . . . 95 PHE CA . 52597 1
256 . 1 . 1 95 95 PHE N N 15 124.473 0.3 . 1 . . . . . 95 PHE N . 52597 1
257 . 1 . 1 96 96 THR H H 1 8.728 0.020 . 1 . . . . . 96 THR H . 52597 1
258 . 1 . 1 96 96 THR CA C 13 62.680 0.3 . 1 . . . . . 96 THR CA . 52597 1
259 . 1 . 1 96 96 THR N N 15 118.369 0.3 . 1 . . . . . 96 THR N . 52597 1
260 . 1 . 1 97 97 ALA H H 1 9.184 0.020 . 1 . . . . . 97 ALA H . 52597 1
261 . 1 . 1 97 97 ALA CA C 13 49.668 0.3 . 1 . . . . . 97 ALA CA . 52597 1
262 . 1 . 1 97 97 ALA N N 15 129.585 0.3 . 1 . . . . . 97 ALA N . 52597 1
263 . 1 . 1 98 98 ASN H H 1 8.695 0.020 . 1 . . . . . 98 ASN H . 52597 1
264 . 1 . 1 98 98 ASN CA C 13 53.916 0.3 . 1 . . . . . 98 ASN CA . 52597 1
265 . 1 . 1 98 98 ASN N N 15 112.433 0.3 . 1 . . . . . 98 ASN N . 52597 1
266 . 1 . 1 99 99 ASP H H 1 8.914 0.020 . 1 . . . . . 99 ASP H . 52597 1
267 . 1 . 1 99 99 ASP CA C 13 55.066 0.3 . 1 . . . . . 99 ASP CA . 52597 1
268 . 1 . 1 99 99 ASP N N 15 117.217 0.3 . 1 . . . . . 99 ASP N . 52597 1
269 . 1 . 1 100 100 SER H H 1 8.890 0.020 . 1 . . . . . 100 SER H . 52597 1
270 . 1 . 1 100 100 SER CA C 13 56.833 0.3 . 1 . . . . . 100 SER CA . 52597 1
271 . 1 . 1 100 100 SER N N 15 117.350 0.3 . 1 . . . . . 100 SER N . 52597 1
272 . 1 . 1 101 101 GLY H H 1 7.207 0.020 . 1 . . . . . 101 GLY H . 52597 1
273 . 1 . 1 101 101 GLY CA C 13 43.219 0.3 . 1 . . . . . 101 GLY CA . 52597 1
274 . 1 . 1 101 101 GLY N N 15 109.993 0.3 . 1 . . . . . 101 GLY N . 52597 1
275 . 1 . 1 103 103 ARG H H 1 8.989 0.020 . 1 . . . . . 103 ARG H . 52597 1
276 . 1 . 1 103 103 ARG CA C 13 57.778 0.3 . 1 . . . . . 103 ARG CA . 52597 1
277 . 1 . 1 103 103 ARG N N 15 121.212 0.3 . 1 . . . . . 103 ARG N . 52597 1
278 . 1 . 1 104 104 ARG H H 1 7.325 0.020 . 1 . . . . . 104 ARG H . 52597 1
279 . 1 . 1 104 104 ARG CA C 13 54.286 0.3 . 1 . . . . . 104 ARG CA . 52597 1
280 . 1 . 1 104 104 ARG N N 15 106.576 0.3 . 1 . . . . . 104 ARG N . 52597 1
281 . 1 . 1 105 105 TYR H H 1 8.887 0.020 . 1 . . . . . 105 TYR H . 52597 1
282 . 1 . 1 105 105 TYR CA C 13 57.531 0.3 . 1 . . . . . 105 TYR CA . 52597 1
283 . 1 . 1 105 105 TYR N N 15 121.228 0.3 . 1 . . . . . 105 TYR N . 52597 1
284 . 1 . 1 106 106 THR H H 1 8.849 0.020 . 1 . . . . . 106 THR H . 52597 1
285 . 1 . 1 106 106 THR CA C 13 61.509 0.3 . 1 . . . . . 106 THR CA . 52597 1
286 . 1 . 1 106 106 THR N N 15 120.576 0.3 . 1 . . . . . 106 THR N . 52597 1
287 . 1 . 1 107 107 ILE H H 1 8.874 0.020 . 1 . . . . . 107 ILE H . 52597 1
288 . 1 . 1 107 107 ILE CA C 13 58.271 0.3 . 1 . . . . . 107 ILE CA . 52597 1
289 . 1 . 1 107 107 ILE N N 15 127.381 0.3 . 1 . . . . . 107 ILE N . 52597 1
290 . 1 . 1 108 108 ALA H H 1 8.827 0.020 . 1 . . . . . 108 ALA H . 52597 1
291 . 1 . 1 108 108 ALA CA C 13 48.899 0.3 . 1 . . . . . 108 ALA CA . 52597 1
292 . 1 . 1 108 108 ALA N N 15 128.689 0.3 . 1 . . . . . 108 ALA N . 52597 1
293 . 1 . 1 109 109 ALA H H 1 9.103 0.020 . 1 . . . . . 109 ALA H . 52597 1
294 . 1 . 1 109 109 ALA CA C 13 49.916 0.3 . 1 . . . . . 109 ALA CA . 52597 1
295 . 1 . 1 109 109 ALA N N 15 126.046 0.3 . 1 . . . . . 109 ALA N . 52597 1
296 . 1 . 1 110 110 LEU H H 1 8.808 0.020 . 1 . . . . . 110 LEU H . 52597 1
297 . 1 . 1 110 110 LEU CA C 13 53.546 0.3 . 1 . . . . . 110 LEU CA . 52597 1
298 . 1 . 1 110 110 LEU N N 15 125.846 0.3 . 1 . . . . . 110 LEU N . 52597 1
299 . 1 . 1 111 111 LEU H H 1 9.091 0.020 . 1 . . . . . 111 LEU H . 52597 1
300 . 1 . 1 111 111 LEU CA C 13 55.231 0.3 . 1 . . . . . 111 LEU CA . 52597 1
301 . 1 . 1 111 111 LEU N N 15 124.009 0.3 . 1 . . . . . 111 LEU N . 52597 1
302 . 1 . 1 112 112 SER H H 1 9.055 0.020 . 1 . . . . . 112 SER H . 52597 1
303 . 1 . 1 112 112 SER CA C 13 57.655 0.3 . 1 . . . . . 112 SER CA . 52597 1
304 . 1 . 1 112 112 SER N N 15 116.687 0.3 . 1 . . . . . 112 SER N . 52597 1
305 . 1 . 1 114 114 TYR H H 1 8.232 0.020 . 1 . . . . . 114 TYR H . 52597 1
306 . 1 . 1 114 114 TYR CA C 13 57.819 0.3 . 1 . . . . . 114 TYR CA . 52597 1
307 . 1 . 1 114 114 TYR N N 15 113.868 0.3 . 1 . . . . . 114 TYR N . 52597 1
308 . 1 . 1 115 115 SER H H 1 7.446 0.020 . 1 . . . . . 115 SER H . 52597 1
309 . 1 . 1 115 115 SER CA C 13 56.997 0.3 . 1 . . . . . 115 SER CA . 52597 1
310 . 1 . 1 115 115 SER N N 15 111.598 0.3 . 1 . . . . . 115 SER N . 52597 1
311 . 1 . 1 117 117 SER H H 1 8.397 0.020 . 1 . . . . . 117 SER H . 52597 1
312 . 1 . 1 117 117 SER CA C 13 54.958 0.3 . 1 . . . . . 117 SER CA . 52597 1
313 . 1 . 1 117 117 SER N N 15 113.851 0.3 . 1 . . . . . 117 SER N . 52597 1
314 . 1 . 1 118 118 THR H H 1 8.910 0.020 . 1 . . . . . 118 THR H . 52597 1
315 . 1 . 1 118 118 THR CA C 13 58.301 0.3 . 1 . . . . . 118 THR CA . 52597 1
316 . 1 . 1 118 118 THR N N 15 116.155 0.3 . 1 . . . . . 118 THR N . 52597 1
317 . 1 . 1 119 119 THR H H 1 8.400 0.020 . 1 . . . . . 119 THR H . 52597 1
318 . 1 . 1 119 119 THR CA C 13 60.865 0.3 . 1 . . . . . 119 THR CA . 52597 1
319 . 1 . 1 119 119 THR N N 15 122.303 0.3 . 1 . . . . . 119 THR N . 52597 1
320 . 1 . 1 120 120 ALA H H 1 8.368 0.020 . 1 . . . . . 120 ALA H . 52597 1
321 . 1 . 1 120 120 ALA CA C 13 49.273 0.3 . 1 . . . . . 120 ALA CA . 52597 1
322 . 1 . 1 120 120 ALA N N 15 128.924 0.3 . 1 . . . . . 120 ALA N . 52597 1
323 . 1 . 1 121 121 VAL H H 1 8.274 0.020 . 1 . . . . . 121 VAL H . 52597 1
324 . 1 . 1 121 121 VAL CA C 13 60.346 0.3 . 1 . . . . . 121 VAL CA . 52597 1
325 . 1 . 1 121 121 VAL N N 15 119.280 0.3 . 1 . . . . . 121 VAL N . 52597 1
326 . 1 . 1 122 122 VAL H H 1 8.355 0.020 . 1 . . . . . 122 VAL H . 52597 1
327 . 1 . 1 122 122 VAL CA C 13 60.872 0.3 . 1 . . . . . 122 VAL CA . 52597 1
328 . 1 . 1 122 122 VAL N N 15 128.877 0.3 . 1 . . . . . 122 VAL N . 52597 1
329 . 1 . 1 123 123 THR H H 1 8.755 0.020 . 1 . . . . . 123 THR H . 52597 1
330 . 1 . 1 123 123 THR CA C 13 59.714 0.3 . 1 . . . . . 123 THR CA . 52597 1
331 . 1 . 1 123 123 THR N N 15 119.342 0.3 . 1 . . . . . 123 THR N . 52597 1
332 . 1 . 1 124 124 ASN H H 1 8.740 0.020 . 1 . . . . . 124 ASN H . 52597 1
333 . 1 . 1 124 124 ASN CA C 13 50.012 0.3 . 1 . . . . . 124 ASN CA . 52597 1
334 . 1 . 1 124 124 ASN N N 15 120.952 0.3 . 1 . . . . . 124 ASN N . 52597 1
335 . 1 . 1 126 126 LYS H H 1 7.997 0.020 . 1 . . . . . 126 LYS H . 52597 1
336 . 1 . 1 126 126 LYS CA C 13 55.655 0.3 . 1 . . . . . 126 LYS CA . 52597 1
337 . 1 . 1 126 126 LYS N N 15 119.985 0.3 . 1 . . . . . 126 LYS N . 52597 1
338 . 1 . 1 127 127 GLU H H 1 7.681 0.020 . 1 . . . . . 127 GLU H . 52597 1
339 . 1 . 1 127 127 GLU CA C 13 57.652 0.3 . 1 . . . . . 127 GLU CA . 52597 1
340 . 1 . 1 127 127 GLU N N 15 126.626 0.3 . 1 . . . . . 127 GLU N . 52597 1
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