Content for NMR-STAR saveframe, assigned_chemical_shifts_1
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 52598
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Backbone 1H, 13C, and 15N Chemical Shift Assignment for A97S 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' . . . 52598 1
2 '3D HNCA' . . . 52598 1
3 '3D HNCACB' . . . 52598 1
4 '3D HN(CO)CA' . . . 52598 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 . . 52598 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 8.302 0.020 . 1 . . . . . 3 THR H . 52598 1
2 . 1 . 1 3 3 THR CA C 13 61.521 0.3 . 1 . . . . . 3 THR CA . 52598 1
3 . 1 . 1 3 3 THR N N 15 113.830 0.3 . 1 . . . . . 3 THR N . 52598 1
4 . 1 . 1 4 4 GLY H H 1 8.410 0.020 . 1 . . . . . 4 GLY H . 52598 1
5 . 1 . 1 4 4 GLY CA C 13 44.931 0.3 . 1 . . . . . 4 GLY CA . 52598 1
6 . 1 . 1 4 4 GLY N N 15 110.829 0.3 . 1 . . . . . 4 GLY N . 52598 1
7 . 1 . 1 5 5 THR H H 1 8.110 0.020 . 1 . . . . . 5 THR H . 52598 1
8 . 1 . 1 5 5 THR CA C 13 61.537 0.3 . 1 . . . . . 5 THR CA . 52598 1
9 . 1 . 1 5 5 THR N N 15 112.672 0.3 . 1 . . . . . 5 THR N . 52598 1
10 . 1 . 1 6 6 GLY H H 1 8.393 0.020 . 1 . . . . . 6 GLY H . 52598 1
11 . 1 . 1 6 6 GLY CA C 13 44.993 0.3 . 1 . . . . . 6 GLY CA . 52598 1
12 . 1 . 1 6 6 GLY N N 15 110.911 0.3 . 1 . . . . . 6 GLY N . 52598 1
13 . 1 . 1 7 7 GLU H H 1 8.198 0.020 . 1 . . . . . 7 GLU H . 52598 1
14 . 1 . 1 7 7 GLU CA C 13 56.220 0.3 . 1 . . . . . 7 GLU CA . 52598 1
15 . 1 . 1 7 7 GLU N N 15 120.403 0.3 . 1 . . . . . 7 GLU N . 52598 1
16 . 1 . 1 8 8 SER H H 1 8.309 0.020 . 1 . . . . . 8 SER H . 52598 1
17 . 1 . 1 8 8 SER CA C 13 58.079 0.3 . 1 . . . . . 8 SER CA . 52598 1
18 . 1 . 1 8 8 SER N N 15 116.677 0.3 . 1 . . . . . 8 SER N . 52598 1
19 . 1 . 1 9 9 LYS H H 1 8.453 0.020 . 1 . . . . . 9 LYS H . 52598 1
20 . 1 . 1 9 9 LYS CA C 13 55.287 0.3 . 1 . . . . . 9 LYS CA . 52598 1
21 . 1 . 1 9 9 LYS N N 15 122.983 0.3 . 1 . . . . . 9 LYS N . 52598 1
22 . 1 . 1 10 10 CYS H H 1 8.165 0.020 . 1 . . . . . 10 CYS H . 52598 1
23 . 1 . 1 10 10 CYS CA C 13 54.228 0.3 . 1 . . . . . 10 CYS CA . 52598 1
24 . 1 . 1 10 10 CYS CB C 13 32.444 0.3 . 1 . . . . . 10 CYS CB . 52598 1
25 . 1 . 1 10 10 CYS N N 15 121.196 0.3 . 1 . . . . . 10 CYS N . 52598 1
26 . 1 . 1 12 12 LEU H H 1 6.938 0.020 . 1 . . . . . 12 LEU H . 52598 1
27 . 1 . 1 12 12 LEU CA C 13 53.311 0.3 . 1 . . . . . 12 LEU CA . 52598 1
28 . 1 . 1 12 12 LEU CB C 13 44.495 0.3 . 1 . . . . . 12 LEU CB . 52598 1
29 . 1 . 1 12 12 LEU N N 15 119.840 0.3 . 1 . . . . . 12 LEU N . 52598 1
30 . 1 . 1 13 13 MET H H 1 8.673 0.020 . 1 . . . . . 13 MET H . 52598 1
31 . 1 . 1 13 13 MET CA C 13 54.373 0.3 . 1 . . . . . 13 MET CA . 52598 1
32 . 1 . 1 13 13 MET N N 15 126.142 0.3 . 1 . . . . . 13 MET N . 52598 1
33 . 1 . 1 14 14 VAL H H 1 7.487 0.020 . 1 . . . . . 14 VAL H . 52598 1
34 . 1 . 1 14 14 VAL CA C 13 59.800 0.3 . 1 . . . . . 14 VAL CA . 52598 1
35 . 1 . 1 14 14 VAL N N 15 122.026 0.3 . 1 . . . . . 14 VAL N . 52598 1
36 . 1 . 1 15 15 LYS H H 1 8.826 0.020 . 1 . . . . . 15 LYS H . 52598 1
37 . 1 . 1 15 15 LYS CA C 13 54.226 0.3 . 1 . . . . . 15 LYS CA . 52598 1
38 . 1 . 1 15 15 LYS N N 15 126.981 0.3 . 1 . . . . . 15 LYS N . 52598 1
39 . 1 . 1 16 16 VAL H H 1 9.064 0.020 . 1 . . . . . 16 VAL H . 52598 1
40 . 1 . 1 16 16 VAL CA C 13 60.478 0.3 . 1 . . . . . 16 VAL CA . 52598 1
41 . 1 . 1 16 16 VAL N N 15 123.994 0.3 . 1 . . . . . 16 VAL N . 52598 1
42 . 1 . 1 17 17 LEU H H 1 8.577 0.020 . 1 . . . . . 17 LEU H . 52598 1
43 . 1 . 1 17 17 LEU CA C 13 53.322 0.3 . 1 . . . . . 17 LEU CA . 52598 1
44 . 1 . 1 17 17 LEU N N 15 126.335 0.3 . 1 . . . . . 17 LEU N . 52598 1
45 . 1 . 1 18 18 ASP H H 1 8.704 0.020 . 1 . . . . . 18 ASP H . 52598 1
46 . 1 . 1 18 18 ASP CA C 13 52.898 0.3 . 1 . . . . . 18 ASP CA . 52598 1
47 . 1 . 1 18 18 ASP N N 15 121.567 0.3 . 1 . . . . . 18 ASP N . 52598 1
48 . 1 . 1 19 19 ALA H H 1 9.083 0.020 . 1 . . . . . 19 ALA H . 52598 1
49 . 1 . 1 19 19 ALA CA C 13 53.302 0.3 . 1 . . . . . 19 ALA CA . 52598 1
50 . 1 . 1 19 19 ALA N N 15 127.237 0.3 . 1 . . . . . 19 ALA N . 52598 1
51 . 1 . 1 20 20 VAL H H 1 9.682 0.020 . 1 . . . . . 20 VAL H . 52598 1
52 . 1 . 1 20 20 VAL CA C 13 65.256 0.3 . 1 . . . . . 20 VAL CA . 52598 1
53 . 1 . 1 20 20 VAL N N 15 120.086 0.3 . 1 . . . . . 20 VAL N . 52598 1
54 . 1 . 1 21 21 ARG H H 1 8.310 0.020 . 1 . . . . . 21 ARG H . 52598 1
55 . 1 . 1 21 21 ARG CA C 13 55.035 0.3 . 1 . . . . . 21 ARG CA . 52598 1
56 . 1 . 1 21 21 ARG N N 15 116.411 0.3 . 1 . . . . . 21 ARG N . 52598 1
57 . 1 . 1 22 22 GLY H H 1 7.482 0.020 . 1 . . . . . 22 GLY H . 52598 1
58 . 1 . 1 22 22 GLY CA C 13 46.917 0.3 . 1 . . . . . 22 GLY CA . 52598 1
59 . 1 . 1 22 22 GLY N N 15 109.124 0.3 . 1 . . . . . 22 GLY N . 52598 1
60 . 1 . 1 23 23 SER H H 1 7.448 0.020 . 1 . . . . . 23 SER H . 52598 1
61 . 1 . 1 23 23 SER CA C 13 54.687 0.3 . 1 . . . . . 23 SER CA . 52598 1
62 . 1 . 1 23 23 SER N N 15 110.993 0.3 . 1 . . . . . 23 SER N . 52598 1
63 . 1 . 1 25 25 ALA H H 1 8.094 0.020 . 1 . . . . . 25 ALA H . 52598 1
64 . 1 . 1 25 25 ALA CA C 13 50.272 0.3 . 1 . . . . . 25 ALA CA . 52598 1
65 . 1 . 1 25 25 ALA N N 15 127.368 0.3 . 1 . . . . . 25 ALA N . 52598 1
66 . 1 . 1 26 26 ILE H H 1 7.912 0.020 . 1 . . . . . 26 ILE H . 52598 1
67 . 1 . 1 26 26 ILE CA C 13 61.413 0.3 . 1 . . . . . 26 ILE CA . 52598 1
68 . 1 . 1 26 26 ILE N N 15 126.850 0.3 . 1 . . . . . 26 ILE N . 52598 1
69 . 1 . 1 27 27 ASN H H 1 7.816 0.020 . 1 . . . . . 27 ASN H . 52598 1
70 . 1 . 1 27 27 ASN CA C 13 54.086 0.3 . 1 . . . . . 27 ASN CA . 52598 1
71 . 1 . 1 27 27 ASN N N 15 122.085 0.3 . 1 . . . . . 27 ASN N . 52598 1
72 . 1 . 1 28 28 VAL H H 1 8.395 0.020 . 1 . . . . . 28 VAL H . 52598 1
73 . 1 . 1 28 28 VAL CA C 13 61.521 0.3 . 1 . . . . . 28 VAL CA . 52598 1
74 . 1 . 1 28 28 VAL N N 15 119.822 0.3 . 1 . . . . . 28 VAL N . 52598 1
75 . 1 . 1 29 29 ALA H H 1 9.172 0.020 . 1 . . . . . 29 ALA H . 52598 1
76 . 1 . 1 29 29 ALA CA C 13 52.367 0.3 . 1 . . . . . 29 ALA CA . 52598 1
77 . 1 . 1 29 29 ALA N N 15 130.713 0.3 . 1 . . . . . 29 ALA N . 52598 1
78 . 1 . 1 30 30 VAL H H 1 8.396 0.020 . 1 . . . . . 30 VAL H . 52598 1
79 . 1 . 1 30 30 VAL CA C 13 60.221 0.3 . 1 . . . . . 30 VAL CA . 52598 1
80 . 1 . 1 30 30 VAL N N 15 121.983 0.3 . 1 . . . . . 30 VAL N . 52598 1
81 . 1 . 1 31 31 HIS H H 1 9.026 0.020 . 1 . . . . . 31 HIS H . 52598 1
82 . 1 . 1 31 31 HIS CA C 13 54.652 0.3 . 1 . . . . . 31 HIS CA . 52598 1
83 . 1 . 1 31 31 HIS N N 15 124.321 0.3 . 1 . . . . . 31 HIS N . 52598 1
84 . 1 . 1 32 32 VAL H H 1 9.251 0.020 . 1 . . . . . 32 VAL H . 52598 1
85 . 1 . 1 32 32 VAL CA C 13 59.669 0.3 . 1 . . . . . 32 VAL CA . 52598 1
86 . 1 . 1 32 32 VAL N N 15 121.630 0.3 . 1 . . . . . 32 VAL N . 52598 1
87 . 1 . 1 33 33 PHE H H 1 9.977 0.020 . 1 . . . . . 33 PHE H . 52598 1
88 . 1 . 1 33 33 PHE CA C 13 55.828 0.3 . 1 . . . . . 33 PHE CA . 52598 1
89 . 1 . 1 33 33 PHE N N 15 128.084 0.3 . 1 . . . . . 33 PHE N . 52598 1
90 . 1 . 1 34 34 ARG H H 1 9.482 0.020 . 1 . . . . . 34 ARG H . 52598 1
91 . 1 . 1 34 34 ARG CA C 13 53.830 0.3 . 1 . . . . . 34 ARG CA . 52598 1
92 . 1 . 1 34 34 ARG N N 15 122.153 0.3 . 1 . . . . . 34 ARG N . 52598 1
93 . 1 . 1 35 35 LYS H H 1 8.564 0.020 . 1 . . . . . 35 LYS H . 52598 1
94 . 1 . 1 35 35 LYS CA C 13 57.023 0.3 . 1 . . . . . 35 LYS CA . 52598 1
95 . 1 . 1 35 35 LYS N N 15 129.869 0.3 . 1 . . . . . 35 LYS N . 52598 1
96 . 1 . 1 36 36 ALA H H 1 8.839 0.020 . 1 . . . . . 36 ALA H . 52598 1
97 . 1 . 1 36 36 ALA CA C 13 50.642 0.3 . 1 . . . . . 36 ALA CA . 52598 1
98 . 1 . 1 36 36 ALA CB C 13 19.722 0.3 . 1 . . . . . 36 ALA CB . 52598 1
99 . 1 . 1 36 36 ALA N N 15 131.007 0.3 . 1 . . . . . 36 ALA N . 52598 1
100 . 1 . 1 37 37 ALA H H 1 8.406 0.020 . 1 . . . . . 37 ALA H . 52598 1
101 . 1 . 1 37 37 ALA CA C 13 53.820 0.3 . 1 . . . . . 37 ALA CA . 52598 1
102 . 1 . 1 37 37 ALA N N 15 122.058 0.3 . 1 . . . . . 37 ALA N . 52598 1
103 . 1 . 1 38 38 ASP H H 1 7.727 0.020 . 1 . . . . . 38 ASP H . 52598 1
104 . 1 . 1 38 38 ASP CA C 13 52.768 0.3 . 1 . . . . . 38 ASP CA . 52598 1
105 . 1 . 1 38 38 ASP N N 15 115.507 0.3 . 1 . . . . . 38 ASP N . 52598 1
106 . 1 . 1 39 39 ASP H H 1 7.935 0.020 . 1 . . . . . 39 ASP H . 52598 1
107 . 1 . 1 39 39 ASP CA C 13 55.705 0.3 . 1 . . . . . 39 ASP CA . 52598 1
108 . 1 . 1 39 39 ASP N N 15 112.744 0.3 . 1 . . . . . 39 ASP N . 52598 1
109 . 1 . 1 40 40 THR H H 1 7.297 0.020 . 1 . . . . . 40 THR H . 52598 1
110 . 1 . 1 40 40 THR CA C 13 61.133 0.3 . 1 . . . . . 40 THR CA . 52598 1
111 . 1 . 1 40 40 THR N N 15 110.421 0.3 . 1 . . . . . 40 THR N . 52598 1
112 . 1 . 1 41 41 TRP H H 1 8.421 0.020 . 1 . . . . . 41 TRP H . 52598 1
113 . 1 . 1 41 41 TRP CA C 13 55.290 0.3 . 1 . . . . . 41 TRP CA . 52598 1
114 . 1 . 1 41 41 TRP N N 15 120.019 0.3 . 1 . . . . . 41 TRP N . 52598 1
115 . 1 . 1 42 42 GLU H H 1 9.260 0.020 . 1 . . . . . 42 GLU H . 52598 1
116 . 1 . 1 42 42 GLU CA C 13 52.769 0.3 . 1 . . . . . 42 GLU CA . 52598 1
117 . 1 . 1 42 42 GLU N N 15 126.455 0.3 . 1 . . . . . 42 GLU N . 52598 1
118 . 1 . 1 44 44 PHE H H 1 8.859 0.020 . 1 . . . . . 44 PHE H . 52598 1
119 . 1 . 1 44 44 PHE CA C 13 58.749 0.3 . 1 . . . . . 44 PHE CA . 52598 1
120 . 1 . 1 44 44 PHE N N 15 124.783 0.3 . 1 . . . . . 44 PHE N . 52598 1
121 . 1 . 1 45 45 ALA H H 1 7.927 0.020 . 1 . . . . . 45 ALA H . 52598 1
122 . 1 . 1 45 45 ALA CA C 13 51.987 0.3 . 1 . . . . . 45 ALA CA . 52598 1
123 . 1 . 1 45 45 ALA N N 15 118.730 0.3 . 1 . . . . . 45 ALA N . 52598 1
124 . 1 . 1 46 46 SER H H 1 8.558 0.020 . 1 . . . . . 46 SER H . 52598 1
125 . 1 . 1 46 46 SER CA C 13 57.404 0.3 . 1 . . . . . 46 SER CA . 52598 1
126 . 1 . 1 46 46 SER N N 15 113.243 0.3 . 1 . . . . . 46 SER N . 52598 1
127 . 1 . 1 47 47 GLY H H 1 8.486 0.020 . 1 . . . . . 47 GLY H . 52598 1
128 . 1 . 1 47 47 GLY CA C 13 45.367 0.3 . 1 . . . . . 47 GLY CA . 52598 1
129 . 1 . 1 47 47 GLY N N 15 106.809 0.3 . 1 . . . . . 47 GLY N . 52598 1
130 . 1 . 1 48 48 LYS H H 1 8.485 0.020 . 1 . . . . . 48 LYS H . 52598 1
131 . 1 . 1 48 48 LYS CA C 13 53.305 0.3 . 1 . . . . . 48 LYS CA . 52598 1
132 . 1 . 1 48 48 LYS N N 15 119.693 0.3 . 1 . . . . . 48 LYS N . 52598 1
133 . 1 . 1 49 49 THR H H 1 8.693 0.020 . 1 . . . . . 49 THR H . 52598 1
134 . 1 . 1 49 49 THR CA C 13 61.807 0.3 . 1 . . . . . 49 THR CA . 52598 1
135 . 1 . 1 49 49 THR N N 15 111.447 0.3 . 1 . . . . . 49 THR N . 52598 1
136 . 1 . 1 50 50 SER H H 1 8.560 0.020 . 1 . . . . . 50 SER H . 52598 1
137 . 1 . 1 50 50 SER CA C 13 56.881 0.3 . 1 . . . . . 50 SER CA . 52598 1
138 . 1 . 1 50 50 SER N N 15 118.029 0.3 . 1 . . . . . 50 SER N . 52598 1
139 . 1 . 1 51 51 GLU H H 1 9.091 0.020 . 1 . . . . . 51 GLU H . 52598 1
140 . 1 . 1 51 51 GLU CA C 13 58.838 0.3 . 1 . . . . . 51 GLU CA . 52598 1
141 . 1 . 1 51 51 GLU N N 15 118.407 0.3 . 1 . . . . . 51 GLU N . 52598 1
142 . 1 . 1 52 52 SER H H 1 8.118 0.020 . 1 . . . . . 52 SER H . 52598 1
143 . 1 . 1 52 52 SER CA C 13 57.160 0.3 . 1 . . . . . 52 SER CA . 52598 1
144 . 1 . 1 52 52 SER N N 15 111.380 0.3 . 1 . . . . . 52 SER N . 52598 1
145 . 1 . 1 53 53 GLY H H 1 8.581 0.020 . 1 . . . . . 53 GLY H . 52598 1
146 . 1 . 1 53 53 GLY CA C 13 45.209 0.3 . 1 . . . . . 53 GLY CA . 52598 1
147 . 1 . 1 53 53 GLY N N 15 112.026 0.3 . 1 . . . . . 53 GLY N . 52598 1
148 . 1 . 1 54 54 GLU H H 1 7.186 0.020 . 1 . . . . . 54 GLU H . 52598 1
149 . 1 . 1 54 54 GLU CA C 13 54.094 0.3 . 1 . . . . . 54 GLU CA . 52598 1
150 . 1 . 1 54 54 GLU N N 15 115.569 0.3 . 1 . . . . . 54 GLU N . 52598 1
151 . 1 . 1 55 55 LEU H H 1 8.652 0.020 . 1 . . . . . 55 LEU H . 52598 1
152 . 1 . 1 55 55 LEU CA C 13 53.691 0.3 . 1 . . . . . 55 LEU CA . 52598 1
153 . 1 . 1 55 55 LEU N N 15 123.308 0.3 . 1 . . . . . 55 LEU N . 52598 1
154 . 1 . 1 56 56 HIS H H 1 8.732 0.020 . 1 . . . . . 56 HIS H . 52598 1
155 . 1 . 1 56 56 HIS CA C 13 54.098 0.3 . 1 . . . . . 56 HIS CA . 52598 1
156 . 1 . 1 56 56 HIS N N 15 125.454 0.3 . 1 . . . . . 56 HIS N . 52598 1
157 . 1 . 1 57 57 GLY H H 1 8.209 0.020 . 1 . . . . . 57 GLY H . 52598 1
158 . 1 . 1 57 57 GLY CA C 13 46.131 0.3 . 1 . . . . . 57 GLY CA . 52598 1
159 . 1 . 1 57 57 GLY N N 15 108.092 0.3 . 1 . . . . . 57 GLY N . 52598 1
160 . 1 . 1 58 58 LEU H H 1 8.379 0.020 . 1 . . . . . 58 LEU H . 52598 1
161 . 1 . 1 58 58 LEU CA C 13 57.008 0.3 . 1 . . . . . 58 LEU CA . 52598 1
162 . 1 . 1 58 58 LEU N N 15 119.462 0.3 . 1 . . . . . 58 LEU N . 52598 1
163 . 1 . 1 59 59 THR H H 1 7.304 0.020 . 1 . . . . . 59 THR H . 52598 1
164 . 1 . 1 59 59 THR CA C 13 59.153 0.3 . 1 . . . . . 59 THR CA . 52598 1
165 . 1 . 1 59 59 THR N N 15 107.328 0.3 . 1 . . . . . 59 THR N . 52598 1
166 . 1 . 1 60 60 THR H H 1 8.509 0.020 . 1 . . . . . 60 THR H . 52598 1
167 . 1 . 1 60 60 THR CA C 13 59.272 0.3 . 1 . . . . . 60 THR CA . 52598 1
168 . 1 . 1 60 60 THR N N 15 111.702 0.3 . 1 . . . . . 60 THR N . 52598 1
169 . 1 . 1 61 61 GLU H H 1 8.876 0.020 . 1 . . . . . 61 GLU H . 52598 1
170 . 1 . 1 61 61 GLU CA C 13 59.527 0.3 . 1 . . . . . 61 GLU CA . 52598 1
171 . 1 . 1 61 61 GLU N N 15 120.791 0.3 . 1 . . . . . 61 GLU N . 52598 1
172 . 1 . 1 62 62 GLU H H 1 8.725 0.020 . 1 . . . . . 62 GLU H . 52598 1
173 . 1 . 1 62 62 GLU CA C 13 58.753 0.3 . 1 . . . . . 62 GLU CA . 52598 1
174 . 1 . 1 62 62 GLU N N 15 116.089 0.3 . 1 . . . . . 62 GLU N . 52598 1
175 . 1 . 1 63 63 GLU H H 1 7.368 0.020 . 1 . . . . . 63 GLU H . 52598 1
176 . 1 . 1 63 63 GLU CA C 13 56.753 0.3 . 1 . . . . . 63 GLU CA . 52598 1
177 . 1 . 1 63 63 GLU N N 15 115.441 0.3 . 1 . . . . . 63 GLU N . 52598 1
178 . 1 . 1 64 64 PHE H H 1 7.888 0.020 . 1 . . . . . 64 PHE H . 52598 1
179 . 1 . 1 64 64 PHE CA C 13 55.824 0.3 . 1 . . . . . 64 PHE CA . 52598 1
180 . 1 . 1 64 64 PHE N N 15 123.817 0.3 . 1 . . . . . 64 PHE N . 52598 1
181 . 1 . 1 65 65 VAL H H 1 7.257 0.020 . 1 . . . . . 65 VAL H . 52598 1
182 . 1 . 1 65 65 VAL CA C 13 59.952 0.3 . 1 . . . . . 65 VAL CA . 52598 1
183 . 1 . 1 65 65 VAL N N 15 116.860 0.3 . 1 . . . . . 65 VAL N . 52598 1
184 . 1 . 1 66 66 GLU H H 1 8.525 0.020 . 1 . . . . . 66 GLU H . 52598 1
185 . 1 . 1 66 66 GLU CA C 13 56.892 0.3 . 1 . . . . . 66 GLU CA . 52598 1
186 . 1 . 1 66 66 GLU N N 15 121.500 0.3 . 1 . . . . . 66 GLU N . 52598 1
187 . 1 . 1 67 67 GLY H H 1 8.034 0.020 . 1 . . . . . 67 GLY H . 52598 1
188 . 1 . 1 67 67 GLY CA C 13 44.547 0.3 . 1 . . . . . 67 GLY CA . 52598 1
189 . 1 . 1 67 67 GLY N N 15 110.478 0.3 . 1 . . . . . 67 GLY N . 52598 1
190 . 1 . 1 68 68 ILE H H 1 8.251 0.020 . 1 . . . . . 68 ILE H . 52598 1
191 . 1 . 1 68 68 ILE CA C 13 60.540 0.3 . 1 . . . . . 68 ILE CA . 52598 1
192 . 1 . 1 68 68 ILE N N 15 120.474 0.3 . 1 . . . . . 68 ILE N . 52598 1
193 . 1 . 1 69 69 TYR H H 1 8.621 0.020 . 1 . . . . . 69 TYR H . 52598 1
194 . 1 . 1 69 69 TYR CA C 13 56.362 0.3 . 1 . . . . . 69 TYR CA . 52598 1
195 . 1 . 1 69 69 TYR N N 15 124.590 0.3 . 1 . . . . . 69 TYR N . 52598 1
196 . 1 . 1 70 70 LYS H H 1 8.694 0.020 . 1 . . . . . 70 LYS H . 52598 1
197 . 1 . 1 70 70 LYS CA C 13 53.305 0.3 . 1 . . . . . 70 LYS CA . 52598 1
198 . 1 . 1 70 70 LYS N N 15 118.339 0.3 . 1 . . . . . 70 LYS N . 52598 1
199 . 1 . 1 71 71 VAL H H 1 9.673 0.020 . 1 . . . . . 71 VAL H . 52598 1
200 . 1 . 1 71 71 VAL CA C 13 60.745 0.3 . 1 . . . . . 71 VAL CA . 52598 1
201 . 1 . 1 71 71 VAL N N 15 127.315 0.3 . 1 . . . . . 71 VAL N . 52598 1
202 . 1 . 1 72 72 GLU H H 1 9.760 0.020 . 1 . . . . . 72 GLU H . 52598 1
203 . 1 . 1 72 72 GLU CA C 13 54.897 0.3 . 1 . . . . . 72 GLU CA . 52598 1
204 . 1 . 1 72 72 GLU N N 15 127.958 0.3 . 1 . . . . . 72 GLU N . 52598 1
205 . 1 . 1 73 73 ILE H H 1 9.203 0.020 . 1 . . . . . 73 ILE H . 52598 1
206 . 1 . 1 73 73 ILE CA C 13 59.954 0.3 . 1 . . . . . 73 ILE CA . 52598 1
207 . 1 . 1 73 73 ILE N N 15 125.631 0.3 . 1 . . . . . 73 ILE N . 52598 1
208 . 1 . 1 74 74 ASP H H 1 8.939 0.020 . 1 . . . . . 74 ASP H . 52598 1
209 . 1 . 1 74 74 ASP CA C 13 53.049 0.3 . 1 . . . . . 74 ASP CA . 52598 1
210 . 1 . 1 74 74 ASP N N 15 127.880 0.3 . 1 . . . . . 74 ASP N . 52598 1
211 . 1 . 1 75 75 THR H H 1 8.261 0.020 . 1 . . . . . 75 THR H . 52598 1
212 . 1 . 1 75 75 THR CA C 13 64.215 0.3 . 1 . . . . . 75 THR CA . 52598 1
213 . 1 . 1 75 75 THR N N 15 117.246 0.3 . 1 . . . . . 75 THR N . 52598 1
214 . 1 . 1 76 76 LYS H H 1 7.600 0.020 . 1 . . . . . 76 LYS H . 52598 1
215 . 1 . 1 76 76 LYS CA C 13 60.077 0.3 . 1 . . . . . 76 LYS CA . 52598 1
216 . 1 . 1 76 76 LYS N N 15 124.219 0.3 . 1 . . . . . 76 LYS N . 52598 1
217 . 1 . 1 77 77 SER H H 1 8.229 0.020 . 1 . . . . . 77 SER H . 52598 1
218 . 1 . 1 77 77 SER CA C 13 61.412 0.3 . 1 . . . . . 77 SER CA . 52598 1
219 . 1 . 1 77 77 SER N N 15 112.998 0.3 . 1 . . . . . 77 SER N . 52598 1
220 . 1 . 1 78 78 TYR H H 1 6.787 0.020 . 1 . . . . . 78 TYR H . 52598 1
221 . 1 . 1 78 78 TYR CA C 13 60.871 0.3 . 1 . . . . . 78 TYR CA . 52598 1
222 . 1 . 1 78 78 TYR N N 15 120.983 0.3 . 1 . . . . . 78 TYR N . 52598 1
223 . 1 . 1 79 79 TRP H H 1 7.799 0.020 . 1 . . . . . 79 TRP H . 52598 1
224 . 1 . 1 79 79 TRP CA C 13 59.005 0.3 . 1 . . . . . 79 TRP CA . 52598 1
225 . 1 . 1 79 79 TRP N N 15 117.248 0.3 . 1 . . . . . 79 TRP N . 52598 1
226 . 1 . 1 80 80 LYS H H 1 8.820 0.020 . 1 . . . . . 80 LYS H . 52598 1
227 . 1 . 1 80 80 LYS CA C 13 59.278 0.3 . 1 . . . . . 80 LYS CA . 52598 1
228 . 1 . 1 80 80 LYS N N 15 118.350 0.3 . 1 . . . . . 80 LYS N . 52598 1
229 . 1 . 1 81 81 ALA H H 1 7.559 0.020 . 1 . . . . . 81 ALA H . 52598 1
230 . 1 . 1 81 81 ALA CA C 13 54.109 0.3 . 1 . . . . . 81 ALA CA . 52598 1
231 . 1 . 1 81 81 ALA N N 15 121.955 0.3 . 1 . . . . . 81 ALA N . 52598 1
232 . 1 . 1 82 82 LEU H H 1 7.305 0.020 . 1 . . . . . 82 LEU H . 52598 1
233 . 1 . 1 82 82 LEU CA C 13 54.093 0.3 . 1 . . . . . 82 LEU CA . 52598 1
234 . 1 . 1 82 82 LEU N N 15 117.310 0.3 . 1 . . . . . 82 LEU N . 52598 1
235 . 1 . 1 83 83 GLY H H 1 7.975 0.020 . 1 . . . . . 83 GLY H . 52598 1
236 . 1 . 1 83 83 GLY CA C 13 45.218 0.3 . 1 . . . . . 83 GLY CA . 52598 1
237 . 1 . 1 83 83 GLY N N 15 107.320 0.3 . 1 . . . . . 83 GLY N . 52598 1
238 . 1 . 1 84 84 ILE H H 1 7.958 0.020 . 1 . . . . . 84 ILE H . 52598 1
239 . 1 . 1 84 84 ILE CA C 13 59.296 0.3 . 1 . . . . . 84 ILE CA . 52598 1
240 . 1 . 1 84 84 ILE N N 15 122.658 0.3 . 1 . . . . . 84 ILE N . 52598 1
241 . 1 . 1 85 85 SER H H 1 8.477 0.020 . 1 . . . . . 85 SER H . 52598 1
242 . 1 . 1 85 85 SER CA C 13 54.373 0.3 . 1 . . . . . 85 SER CA . 52598 1
243 . 1 . 1 85 85 SER N N 15 121.692 0.3 . 1 . . . . . 85 SER N . 52598 1
244 . 1 . 1 87 87 PHE H H 1 7.313 0.020 . 1 . . . . . 87 PHE H . 52598 1
245 . 1 . 1 87 87 PHE CA C 13 60.078 0.3 . 1 . . . . . 87 PHE CA . 52598 1
246 . 1 . 1 87 87 PHE N N 15 115.958 0.3 . 1 . . . . . 87 PHE N . 52598 1
247 . 1 . 1 88 88 HIS H H 1 7.730 0.020 . 1 . . . . . 88 HIS H . 52598 1
248 . 1 . 1 88 88 HIS CA C 13 57.683 0.3 . 1 . . . . . 88 HIS CA . 52598 1
249 . 1 . 1 88 88 HIS N N 15 113.250 0.3 . 1 . . . . . 88 HIS N . 52598 1
250 . 1 . 1 89 89 GLU H H 1 8.472 0.020 . 1 . . . . . 89 GLU H . 52598 1
251 . 1 . 1 89 89 GLU CA C 13 55.162 0.3 . 1 . . . . . 89 GLU CA . 52598 1
252 . 1 . 1 89 89 GLU CB C 13 32.279 0.3 . 1 . . . . . 89 GLU CB . 52598 1
253 . 1 . 1 89 89 GLU N N 15 120.683 0.3 . 1 . . . . . 89 GLU N . 52598 1
254 . 1 . 1 90 90 HIS H H 1 8.139 0.020 . 1 . . . . . 90 HIS H . 52598 1
255 . 1 . 1 90 90 HIS CA C 13 54.256 0.3 . 1 . . . . . 90 HIS CA . 52598 1
256 . 1 . 1 90 90 HIS N N 15 118.921 0.3 . 1 . . . . . 90 HIS N . 52598 1
257 . 1 . 1 91 91 ALA H H 1 8.421 0.020 . 1 . . . . . 91 ALA H . 52598 1
258 . 1 . 1 91 91 ALA CA C 13 51.442 0.3 . 1 . . . . . 91 ALA CA . 52598 1
259 . 1 . 1 91 91 ALA N N 15 119.596 0.3 . 1 . . . . . 91 ALA N . 52598 1
260 . 1 . 1 92 92 GLU H H 1 8.417 0.020 . 1 . . . . . 92 GLU H . 52598 1
261 . 1 . 1 92 92 GLU CA C 13 54.059 0.3 . 1 . . . . . 92 GLU CA . 52598 1
262 . 1 . 1 92 92 GLU N N 15 121.629 0.3 . 1 . . . . . 92 GLU N . 52598 1
263 . 1 . 1 93 93 VAL H H 1 8.876 0.020 . 1 . . . . . 93 VAL H . 52598 1
264 . 1 . 1 93 93 VAL CA C 13 61.272 0.3 . 1 . . . . . 93 VAL CA . 52598 1
265 . 1 . 1 93 93 VAL N N 15 121.371 0.3 . 1 . . . . . 93 VAL N . 52598 1
266 . 1 . 1 94 94 VAL H H 1 9.171 0.020 . 1 . . . . . 94 VAL H . 52598 1
267 . 1 . 1 94 94 VAL CA C 13 60.744 0.3 . 1 . . . . . 94 VAL CA . 52598 1
268 . 1 . 1 94 94 VAL N N 15 127.952 0.3 . 1 . . . . . 94 VAL N . 52598 1
269 . 1 . 1 95 95 PHE H H 1 9.027 0.020 . 1 . . . . . 95 PHE H . 52598 1
270 . 1 . 1 95 95 PHE CA C 13 55.555 0.3 . 1 . . . . . 95 PHE CA . 52598 1
271 . 1 . 1 95 95 PHE N N 15 124.404 0.3 . 1 . . . . . 95 PHE N . 52598 1
272 . 1 . 1 96 96 THR H H 1 8.677 0.020 . 1 . . . . . 96 THR H . 52598 1
273 . 1 . 1 96 96 THR CA C 13 61.401 0.3 . 1 . . . . . 96 THR CA . 52598 1
274 . 1 . 1 96 96 THR N N 15 116.280 0.3 . 1 . . . . . 96 THR N . 52598 1
275 . 1 . 1 97 97 SER H H 1 9.131 0.020 . 1 . . . . . 97 SER H . 52598 1
276 . 1 . 1 97 97 SER CA C 13 56.498 0.3 . 1 . . . . . 97 SER CA . 52598 1
277 . 1 . 1 97 97 SER N N 15 121.178 0.3 . 1 . . . . . 97 SER N . 52598 1
278 . 1 . 1 98 98 ASN H H 1 8.354 0.020 . 1 . . . . . 98 ASN H . 52598 1
279 . 1 . 1 98 98 ASN CA C 13 53.173 0.3 . 1 . . . . . 98 ASN CA . 52598 1
280 . 1 . 1 98 98 ASN N N 15 120.340 0.3 . 1 . . . . . 98 ASN N . 52598 1
281 . 1 . 1 99 99 ASP H H 1 8.661 0.020 . 1 . . . . . 99 ASP H . 52598 1
282 . 1 . 1 99 99 ASP CA C 13 54.366 0.3 . 1 . . . . . 99 ASP CA . 52598 1
283 . 1 . 1 99 99 ASP N N 15 120.404 0.3 . 1 . . . . . 99 ASP N . 52598 1
284 . 1 . 1 100 100 SER H H 1 8.389 0.020 . 1 . . . . . 100 SER H . 52598 1
285 . 1 . 1 100 100 SER CA C 13 57.957 0.3 . 1 . . . . . 100 SER CA . 52598 1
286 . 1 . 1 100 100 SER N N 15 115.254 0.3 . 1 . . . . . 100 SER N . 52598 1
287 . 1 . 1 101 101 GLY H H 1 7.880 0.020 . 1 . . . . . 101 GLY H . 52598 1
288 . 1 . 1 101 101 GLY CA C 13 43.955 0.3 . 1 . . . . . 101 GLY CA . 52598 1
289 . 1 . 1 101 101 GLY N N 15 110.482 0.3 . 1 . . . . . 101 GLY N . 52598 1
290 . 1 . 1 103 103 ARG H H 1 8.933 0.020 . 1 . . . . . 103 ARG H . 52598 1
291 . 1 . 1 103 103 ARG CA C 13 57.718 0.3 . 1 . . . . . 103 ARG CA . 52598 1
292 . 1 . 1 103 103 ARG N N 15 120.984 0.3 . 1 . . . . . 103 ARG N . 52598 1
293 . 1 . 1 104 104 ARG H H 1 7.321 0.020 . 1 . . . . . 104 ARG H . 52598 1
294 . 1 . 1 104 104 ARG CA C 13 54.364 0.3 . 1 . . . . . 104 ARG CA . 52598 1
295 . 1 . 1 104 104 ARG N N 15 106.616 0.3 . 1 . . . . . 104 ARG N . 52598 1
296 . 1 . 1 105 105 TYR H H 1 8.811 0.020 . 1 . . . . . 105 TYR H . 52598 1
297 . 1 . 1 105 105 TYR CA C 13 56.750 0.3 . 1 . . . . . 105 TYR CA . 52598 1
298 . 1 . 1 105 105 TYR N N 15 121.631 0.3 . 1 . . . . . 105 TYR N . 52598 1
299 . 1 . 1 106 106 THR H H 1 8.845 0.020 . 1 . . . . . 106 THR H . 52598 1
300 . 1 . 1 106 106 THR CA C 13 61.545 0.3 . 1 . . . . . 106 THR CA . 52598 1
301 . 1 . 1 106 106 THR N N 15 120.280 0.3 . 1 . . . . . 106 THR N . 52598 1
302 . 1 . 1 107 107 ILE H H 1 8.843 0.020 . 1 . . . . . 107 ILE H . 52598 1
303 . 1 . 1 107 107 ILE CA C 13 58.219 0.3 . 1 . . . . . 107 ILE CA . 52598 1
304 . 1 . 1 107 107 ILE N N 15 127.137 0.3 . 1 . . . . . 107 ILE N . 52598 1
305 . 1 . 1 108 108 ALA H H 1 8.861 0.020 . 1 . . . . . 108 ALA H . 52598 1
306 . 1 . 1 108 108 ALA CA C 13 48.933 0.3 . 1 . . . . . 108 ALA CA . 52598 1
307 . 1 . 1 108 108 ALA N N 15 128.723 0.3 . 1 . . . . . 108 ALA N . 52598 1
308 . 1 . 1 109 109 ALA H H 1 9.111 0.020 . 1 . . . . . 109 ALA H . 52598 1
309 . 1 . 1 109 109 ALA CA C 13 49.852 0.3 . 1 . . . . . 109 ALA CA . 52598 1
310 . 1 . 1 109 109 ALA N N 15 126.141 0.3 . 1 . . . . . 109 ALA N . 52598 1
311 . 1 . 1 110 110 LEU H H 1 8.804 0.020 . 1 . . . . . 110 LEU H . 52598 1
312 . 1 . 1 110 110 LEU CA C 13 53.569 0.3 . 1 . . . . . 110 LEU CA . 52598 1
313 . 1 . 1 110 110 LEU N N 15 125.749 0.3 . 1 . . . . . 110 LEU N . 52598 1
314 . 1 . 1 111 111 LEU H H 1 9.104 0.020 . 1 . . . . . 111 LEU H . 52598 1
315 . 1 . 1 111 111 LEU CA C 13 55.166 0.3 . 1 . . . . . 111 LEU CA . 52598 1
316 . 1 . 1 111 111 LEU N N 15 123.903 0.3 . 1 . . . . . 111 LEU N . 52598 1
317 . 1 . 1 112 112 SER H H 1 9.067 0.020 . 1 . . . . . 112 SER H . 52598 1
318 . 1 . 1 112 112 SER CA C 13 57.690 0.3 . 1 . . . . . 112 SER CA . 52598 1
319 . 1 . 1 112 112 SER N N 15 116.608 0.3 . 1 . . . . . 112 SER N . 52598 1
320 . 1 . 1 114 114 TYR H H 1 8.162 0.020 . 1 . . . . . 114 TYR H . 52598 1
321 . 1 . 1 114 114 TYR CA C 13 57.954 0.3 . 1 . . . . . 114 TYR CA . 52598 1
322 . 1 . 1 114 114 TYR N N 15 113.830 0.3 . 1 . . . . . 114 TYR N . 52598 1
323 . 1 . 1 115 115 SER H H 1 7.473 0.020 . 1 . . . . . 115 SER H . 52598 1
324 . 1 . 1 115 115 SER CA C 13 57.147 0.3 . 1 . . . . . 115 SER CA . 52598 1
325 . 1 . 1 115 115 SER N N 15 111.962 0.3 . 1 . . . . . 115 SER N . 52598 1
326 . 1 . 1 116 116 TYR H H 1 8.388 0.020 . 1 . . . . . 116 TYR H . 52598 1
327 . 1 . 1 116 116 TYR CA C 13 57.028 0.3 . 1 . . . . . 116 TYR CA . 52598 1
328 . 1 . 1 116 116 TYR N N 15 119.696 0.3 . 1 . . . . . 116 TYR N . 52598 1
329 . 1 . 1 117 117 SER H H 1 8.406 0.020 . 1 . . . . . 117 SER H . 52598 1
330 . 1 . 1 117 117 SER CA C 13 54.861 0.3 . 1 . . . . . 117 SER CA . 52598 1
331 . 1 . 1 117 117 SER N N 15 113.769 0.3 . 1 . . . . . 117 SER N . 52598 1
332 . 1 . 1 118 118 THR H H 1 8.921 0.020 . 1 . . . . . 118 THR H . 52598 1
333 . 1 . 1 118 118 THR CA C 13 58.486 0.3 . 1 . . . . . 118 THR CA . 52598 1
334 . 1 . 1 118 118 THR N N 15 116.089 0.3 . 1 . . . . . 118 THR N . 52598 1
335 . 1 . 1 119 119 THR H H 1 8.397 0.020 . 1 . . . . . 119 THR H . 52598 1
336 . 1 . 1 119 119 THR CA C 13 60.213 0.3 . 1 . . . . . 119 THR CA . 52598 1
337 . 1 . 1 119 119 THR N N 15 122.091 0.3 . 1 . . . . . 119 THR N . 52598 1
338 . 1 . 1 120 120 ALA H H 1 8.498 0.020 . 1 . . . . . 120 ALA H . 52598 1
339 . 1 . 1 120 120 ALA CA C 13 49.427 0.3 . 1 . . . . . 120 ALA CA . 52598 1
340 . 1 . 1 120 120 ALA N N 15 129.458 0.3 . 1 . . . . . 120 ALA N . 52598 1
341 . 1 . 1 121 121 VAL H H 1 8.334 0.020 . 1 . . . . . 121 VAL H . 52598 1
342 . 1 . 1 121 121 VAL CA C 13 59.956 0.3 . 1 . . . . . 121 VAL CA . 52598 1
343 . 1 . 1 121 121 VAL N N 15 119.180 0.3 . 1 . . . . . 121 VAL N . 52598 1
344 . 1 . 1 122 122 VAL H H 1 8.501 0.020 . 1 . . . . . 122 VAL H . 52598 1
345 . 1 . 1 122 122 VAL CA C 13 60.739 0.3 . 1 . . . . . 122 VAL CA . 52598 1
346 . 1 . 1 122 122 VAL N N 15 128.461 0.3 . 1 . . . . . 122 VAL N . 52598 1
347 . 1 . 1 123 123 THR H H 1 8.541 0.020 . 1 . . . . . 123 THR H . 52598 1
348 . 1 . 1 123 123 THR CA C 13 59.685 0.3 . 1 . . . . . 123 THR CA . 52598 1
349 . 1 . 1 123 123 THR N N 15 118.080 0.3 . 1 . . . . . 123 THR N . 52598 1
350 . 1 . 1 124 124 ASN H H 1 8.605 0.020 . 1 . . . . . 124 ASN H . 52598 1
351 . 1 . 1 124 124 ASN CA C 13 50.262 0.3 . 1 . . . . . 124 ASN CA . 52598 1
352 . 1 . 1 124 124 ASN N N 15 120.142 0.3 . 1 . . . . . 124 ASN N . 52598 1
353 . 1 . 1 126 126 LYS H H 1 8.174 0.020 . 1 . . . . . 126 LYS H . 52598 1
354 . 1 . 1 126 126 LYS CA C 13 55.836 0.3 . 1 . . . . . 126 LYS CA . 52598 1
355 . 1 . 1 126 126 LYS N N 15 120.799 0.3 . 1 . . . . . 126 LYS N . 52598 1
356 . 1 . 1 127 127 GLU H H 1 7.752 0.020 . 1 . . . . . 127 GLU H . 52598 1
357 . 1 . 1 127 127 GLU CA C 13 57.551 0.3 . 1 . . . . . 127 GLU CA . 52598 1
358 . 1 . 1 127 127 GLU N N 15 126.525 0.3 . 1 . . . . . 127 GLU N . 52598 1
stop_
save_