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 52569
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name shift_list_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 $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' . . . 52569 1
2 '3D HNCACB' . . . 52569 1
3 '3D HN(CO)CACB' . . . 52569 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
3 $software_3 . . 52569 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 1 1 MET CA C 13 54.303 0.000 . 1 . . . . . 1 MET CA . 52569 1
2 . 1 . 1 1 1 MET CB C 13 32.754 0.000 . 1 . . . . . 1 MET CB . 52569 1
3 . 1 . 1 2 2 GLN H H 1 10.452 0.006 . 1 . . . . . 2 GLN H . 52569 1
4 . 1 . 1 2 2 GLN CA C 13 59.360 0.015 . 1 . . . . . 2 GLN CA . 52569 1
5 . 1 . 1 2 2 GLN CB C 13 26.776 0.057 . 1 . . . . . 2 GLN CB . 52569 1
6 . 1 . 1 2 2 GLN N N 15 129.280 0.022 . 1 . . . . . 2 GLN N . 52569 1
7 . 1 . 1 3 3 PHE H H 1 9.481 0.001 . 1 . . . . . 3 PHE H . 52569 1
8 . 1 . 1 3 3 PHE CA C 13 58.791 0.161 . 1 . . . . . 3 PHE CA . 52569 1
9 . 1 . 1 3 3 PHE CB C 13 35.296 0.039 . 1 . . . . . 3 PHE CB . 52569 1
10 . 1 . 1 3 3 PHE N N 15 116.358 0.018 . 1 . . . . . 3 PHE N . 52569 1
11 . 1 . 1 4 4 LYS H H 1 8.016 0.002 . 1 . . . . . 4 LYS H . 52569 1
12 . 1 . 1 4 4 LYS CA C 13 54.421 0.061 . 1 . . . . . 4 LYS CA . 52569 1
13 . 1 . 1 4 4 LYS CB C 13 32.172 0.028 . 1 . . . . . 4 LYS CB . 52569 1
14 . 1 . 1 4 4 LYS N N 15 117.946 0.032 . 1 . . . . . 4 LYS N . 52569 1
15 . 1 . 1 5 5 VAL H H 1 8.205 0.003 . 1 . . . . . 5 VAL H . 52569 1
16 . 1 . 1 5 5 VAL CA C 13 59.385 0.123 . 1 . . . . . 5 VAL CA . 52569 1
17 . 1 . 1 5 5 VAL CB C 13 31.712 0.079 . 1 . . . . . 5 VAL CB . 52569 1
18 . 1 . 1 5 5 VAL N N 15 120.729 0.021 . 1 . . . . . 5 VAL N . 52569 1
19 . 1 . 1 6 6 TYR H H 1 8.500 0.004 . 1 . . . . . 6 TYR H . 52569 1
20 . 1 . 1 6 6 TYR CA C 13 55.250 0.058 . 1 . . . . . 6 TYR CA . 52569 1
21 . 1 . 1 6 6 TYR CB C 13 42.369 0.015 . 1 . . . . . 6 TYR CB . 52569 1
22 . 1 . 1 6 6 TYR N N 15 124.267 0.036 . 1 . . . . . 6 TYR N . 52569 1
23 . 1 . 1 7 7 THR H H 1 7.868 0.002 . 1 . . . . . 7 THR H . 52569 1
24 . 1 . 1 7 7 THR CA C 13 60.931 0.024 . 1 . . . . . 7 THR CA . 52569 1
25 . 1 . 1 7 7 THR CB C 13 69.306 0.084 . 1 . . . . . 7 THR CB . 52569 1
26 . 1 . 1 7 7 THR N N 15 109.821 0.029 . 1 . . . . . 7 THR N . 52569 1
27 . 1 . 1 8 8 TYR H H 1 7.537 0.002 . 1 . . . . . 8 TYR H . 52569 1
28 . 1 . 1 8 8 TYR CA C 13 52.532 0.082 . 1 . . . . . 8 TYR CA . 52569 1
29 . 1 . 1 8 8 TYR CB C 13 39.740 0.066 . 1 . . . . . 8 TYR CB . 52569 1
30 . 1 . 1 8 8 TYR N N 15 121.850 0.013 . 1 . . . . . 8 TYR N . 52569 1
31 . 1 . 1 9 9 LYS H H 1 8.980 0.002 . 1 . . . . . 9 LYS H . 52569 1
32 . 1 . 1 9 9 LYS CA C 13 55.441 0.127 . 1 . . . . . 9 LYS CA . 52569 1
33 . 1 . 1 9 9 LYS CB C 13 30.149 0.038 . 1 . . . . . 9 LYS CB . 52569 1
34 . 1 . 1 9 9 LYS N N 15 127.061 0.028 . 1 . . . . . 9 LYS N . 52569 1
35 . 1 . 1 10 10 ARG H H 1 6.322 0.002 . 1 . . . . . 10 ARG H . 52569 1
36 . 1 . 1 10 10 ARG CA C 13 54.985 0.000 . 1 . . . . . 10 ARG CA . 52569 1
37 . 1 . 1 10 10 ARG CB C 13 31.909 0.000 . 1 . . . . . 10 ARG CB . 52569 1
38 . 1 . 1 10 10 ARG N N 15 117.595 0.005 . 1 . . . . . 10 ARG N . 52569 1
39 . 1 . 1 11 11 GLU CA C 13 56.577 0.000 . 1 . . . . . 11 GLU CA . 52569 1
40 . 1 . 1 11 11 GLU CB C 13 27.425 0.065 . 1 . . . . . 11 GLU CB . 52569 1
41 . 1 . 1 12 12 SER H H 1 7.646 0.002 . 1 . . . . . 12 SER H . 52569 1
42 . 1 . 1 12 12 SER CA C 13 56.602 0.000 . 1 . . . . . 12 SER CA . 52569 1
43 . 1 . 1 12 12 SER CB C 13 62.272 0.000 . 1 . . . . . 12 SER CB . 52569 1
44 . 1 . 1 12 12 SER N N 15 121.676 0.007 . 1 . . . . . 12 SER N . 52569 1
45 . 1 . 1 13 13 ARG CA C 13 56.594 0.158 . 1 . . . . . 13 ARG CA . 52569 1
46 . 1 . 1 13 13 ARG CB C 13 27.721 0.040 . 1 . . . . . 13 ARG CB . 52569 1
47 . 1 . 1 14 14 TYR H H 1 7.766 0.004 . 1 . . . . . 14 TYR H . 52569 1
48 . 1 . 1 14 14 TYR CA C 13 54.861 0.001 . 1 . . . . . 14 TYR CA . 52569 1
49 . 1 . 1 14 14 TYR CB C 13 40.047 0.041 . 1 . . . . . 14 TYR CB . 52569 1
50 . 1 . 1 14 14 TYR N N 15 119.091 0.025 . 1 . . . . . 14 TYR N . 52569 1
51 . 1 . 1 15 15 ARG H H 1 10.076 0.002 . 1 . . . . . 15 ARG H . 52569 1
52 . 1 . 1 15 15 ARG CA C 13 55.506 0.102 . 1 . . . . . 15 ARG CA . 52569 1
53 . 1 . 1 15 15 ARG CB C 13 31.652 0.023 . 1 . . . . . 15 ARG CB . 52569 1
54 . 1 . 1 15 15 ARG N N 15 118.262 0.034 . 1 . . . . . 15 ARG N . 52569 1
55 . 1 . 1 16 16 LEU H H 1 7.407 0.003 . 1 . . . . . 16 LEU H . 52569 1
56 . 1 . 1 16 16 LEU CA C 13 52.408 0.042 . 1 . . . . . 16 LEU CA . 52569 1
57 . 1 . 1 16 16 LEU CB C 13 47.214 0.034 . 1 . . . . . 16 LEU CB . 52569 1
58 . 1 . 1 16 16 LEU N N 15 118.688 0.010 . 1 . . . . . 16 LEU N . 52569 1
59 . 1 . 1 17 17 PHE H H 1 8.221 0.003 . 1 . . . . . 17 PHE H . 52569 1
60 . 1 . 1 17 17 PHE CA C 13 54.148 0.112 . 1 . . . . . 17 PHE CA . 52569 1
61 . 1 . 1 17 17 PHE CB C 13 40.597 0.018 . 1 . . . . . 17 PHE CB . 52569 1
62 . 1 . 1 17 17 PHE N N 15 111.459 0.041 . 1 . . . . . 17 PHE N . 52569 1
63 . 1 . 1 18 18 VAL H H 1 9.393 0.003 . 1 . . . . . 18 VAL H . 52569 1
64 . 1 . 1 18 18 VAL CA C 13 58.124 0.081 . 1 . . . . . 18 VAL CA . 52569 1
65 . 1 . 1 18 18 VAL CB C 13 34.118 0.043 . 1 . . . . . 18 VAL CB . 52569 1
66 . 1 . 1 18 18 VAL N N 15 119.409 0.032 . 1 . . . . . 18 VAL N . 52569 1
67 . 1 . 1 19 19 ASP H H 1 8.963 0.003 . 1 . . . . . 19 ASP H . 52569 1
68 . 1 . 1 19 19 ASP CA C 13 53.918 0.056 . 1 . . . . . 19 ASP CA . 52569 1
69 . 1 . 1 19 19 ASP CB C 13 40.937 0.017 . 1 . . . . . 19 ASP CB . 52569 1
70 . 1 . 1 19 19 ASP N N 15 129.262 0.046 . 1 . . . . . 19 ASP N . 52569 1
71 . 1 . 1 20 20 VAL H H 1 8.620 0.002 . 1 . . . . . 20 VAL H . 52569 1
72 . 1 . 1 20 20 VAL CA C 13 60.159 0.097 . 1 . . . . . 20 VAL CA . 52569 1
73 . 1 . 1 20 20 VAL CB C 13 31.481 0.036 . 1 . . . . . 20 VAL CB . 52569 1
74 . 1 . 1 20 20 VAL N N 15 119.523 0.029 . 1 . . . . . 20 VAL N . 52569 1
75 . 1 . 1 21 21 GLN H H 1 8.088 0.002 . 1 . . . . . 21 GLN H . 52569 1
76 . 1 . 1 21 21 GLN CA C 13 55.494 0.065 . 1 . . . . . 21 GLN CA . 52569 1
77 . 1 . 1 21 21 GLN CB C 13 28.714 0.033 . 1 . . . . . 21 GLN CB . 52569 1
78 . 1 . 1 21 21 GLN N N 15 126.631 0.023 . 1 . . . . . 21 GLN N . 52569 1
79 . 1 . 1 22 22 SER H H 1 7.980 0.003 . 1 . . . . . 22 SER H . 52569 1
80 . 1 . 1 22 22 SER CA C 13 58.082 0.087 . 1 . . . . . 22 SER CA . 52569 1
81 . 1 . 1 22 22 SER CB C 13 63.140 0.138 . 1 . . . . . 22 SER CB . 52569 1
82 . 1 . 1 22 22 SER N N 15 114.720 0.029 . 1 . . . . . 22 SER N . 52569 1
83 . 1 . 1 23 23 ASP H H 1 8.992 0.001 . 1 . . . . . 23 ASP H . 52569 1
84 . 1 . 1 23 23 ASP CA C 13 56.265 0.124 . 1 . . . . . 23 ASP CA . 52569 1
85 . 1 . 1 23 23 ASP CB C 13 40.191 0.054 . 1 . . . . . 23 ASP CB . 52569 1
86 . 1 . 1 23 23 ASP N N 15 126.331 0.020 . 1 . . . . . 23 ASP N . 52569 1
87 . 1 . 1 24 24 ILE H H 1 8.066 0.003 . 1 . . . . . 24 ILE H . 52569 1
88 . 1 . 1 24 24 ILE CA C 13 60.374 0.083 . 1 . . . . . 24 ILE CA . 52569 1
89 . 1 . 1 24 24 ILE CB C 13 37.302 0.007 . 1 . . . . . 24 ILE CB . 52569 1
90 . 1 . 1 24 24 ILE N N 15 114.988 0.037 . 1 . . . . . 24 ILE N . 52569 1
91 . 1 . 1 25 25 ILE H H 1 6.572 0.004 . 1 . . . . . 25 ILE H . 52569 1
92 . 1 . 1 25 25 ILE CA C 13 57.606 0.059 . 1 . . . . . 25 ILE CA . 52569 1
93 . 1 . 1 25 25 ILE CB C 13 35.481 0.070 . 1 . . . . . 25 ILE CB . 52569 1
94 . 1 . 1 25 25 ILE N N 15 121.089 0.016 . 1 . . . . . 25 ILE N . 52569 1
95 . 1 . 1 26 26 ASP H H 1 8.506 0.002 . 1 . . . . . 26 ASP H . 52569 1
96 . 1 . 1 26 26 ASP CA C 13 52.872 0.002 . 1 . . . . . 26 ASP CA . 52569 1
97 . 1 . 1 26 26 ASP CB C 13 41.383 0.042 . 1 . . . . . 26 ASP CB . 52569 1
98 . 1 . 1 26 26 ASP N N 15 127.752 0.012 . 1 . . . . . 26 ASP N . 52569 1
99 . 1 . 1 27 27 THR H H 1 8.264 0.004 . 1 . . . . . 27 THR H . 52569 1
100 . 1 . 1 27 27 THR CA C 13 54.472 0.000 . 1 . . . . . 27 THR CA . 52569 1
101 . 1 . 1 27 27 THR CB C 13 68.591 0.000 . 1 . . . . . 27 THR CB . 52569 1
102 . 1 . 1 27 27 THR N N 15 116.308 0.009 . 1 . . . . . 27 THR N . 52569 1
103 . 1 . 1 29 29 GLY CA C 13 45.377 0.055 . 1 . . . . . 29 GLY CA . 52569 1
104 . 1 . 1 30 30 ARG H H 1 8.372 0.005 . 1 . . . . . 30 ARG H . 52569 1
105 . 1 . 1 30 30 ARG CA C 13 55.306 0.022 . 1 . . . . . 30 ARG CA . 52569 1
106 . 1 . 1 30 30 ARG CB C 13 35.785 0.030 . 1 . . . . . 30 ARG CB . 52569 1
107 . 1 . 1 30 30 ARG N N 15 122.158 0.066 . 1 . . . . . 30 ARG N . 52569 1
108 . 1 . 1 31 31 ARG H H 1 8.081 0.002 . 1 . . . . . 31 ARG H . 52569 1
109 . 1 . 1 31 31 ARG CA C 13 52.987 0.022 . 1 . . . . . 31 ARG CA . 52569 1
110 . 1 . 1 31 31 ARG CB C 13 32.335 0.006 . 1 . . . . . 31 ARG CB . 52569 1
111 . 1 . 1 31 31 ARG N N 15 116.629 0.016 . 1 . . . . . 31 ARG N . 52569 1
112 . 1 . 1 32 32 MET H H 1 8.523 0.002 . 1 . . . . . 32 MET H . 52569 1
113 . 1 . 1 32 32 MET CA C 13 55.417 0.097 . 1 . . . . . 32 MET CA . 52569 1
114 . 1 . 1 32 32 MET CB C 13 31.026 0.065 . 1 . . . . . 32 MET CB . 52569 1
115 . 1 . 1 32 32 MET N N 15 121.858 0.020 . 1 . . . . . 32 MET N . 52569 1
116 . 1 . 1 33 33 VAL H H 1 8.433 0.002 . 1 . . . . . 33 VAL H . 52569 1
117 . 1 . 1 33 33 VAL CA C 13 57.788 0.134 . 1 . . . . . 33 VAL CA . 52569 1
118 . 1 . 1 33 33 VAL CB C 13 34.248 0.062 . 1 . . . . . 33 VAL CB . 52569 1
119 . 1 . 1 33 33 VAL N N 15 119.595 0.043 . 1 . . . . . 33 VAL N . 52569 1
120 . 1 . 1 34 34 ILE H H 1 9.004 0.001 . 1 . . . . . 34 ILE H . 52569 1
121 . 1 . 1 34 34 ILE CA C 13 57.149 0.000 . 1 . . . . . 34 ILE CA . 52569 1
122 . 1 . 1 34 34 ILE CB C 13 40.341 0.000 . 1 . . . . . 34 ILE CB . 52569 1
123 . 1 . 1 34 34 ILE N N 15 117.203 0.019 . 1 . . . . . 34 ILE N . 52569 1
124 . 1 . 1 35 35 PRO CA C 13 61.411 0.014 . 1 . . . . . 35 PRO CA . 52569 1
125 . 1 . 1 35 35 PRO CB C 13 29.941 0.046 . 1 . . . . . 35 PRO CB . 52569 1
126 . 1 . 1 36 36 LEU H H 1 7.405 0.002 . 1 . . . . . 36 LEU H . 52569 1
127 . 1 . 1 36 36 LEU CA C 13 52.081 0.094 . 1 . . . . . 36 LEU CA . 52569 1
128 . 1 . 1 36 36 LEU CB C 13 42.987 0.035 . 1 . . . . . 36 LEU CB . 52569 1
129 . 1 . 1 36 36 LEU N N 15 117.233 0.012 . 1 . . . . . 36 LEU N . 52569 1
130 . 1 . 1 37 37 ALA H H 1 8.981 0.001 . 1 . . . . . 37 ALA H . 52569 1
131 . 1 . 1 37 37 ALA CA C 13 49.248 0.050 . 1 . . . . . 37 ALA CA . 52569 1
132 . 1 . 1 37 37 ALA CB C 13 22.149 0.082 . 1 . . . . . 37 ALA CB . 52569 1
133 . 1 . 1 37 37 ALA N N 15 122.211 0.033 . 1 . . . . . 37 ALA N . 52569 1
134 . 1 . 1 38 38 SER H H 1 9.345 0.001 . 1 . . . . . 38 SER H . 52569 1
135 . 1 . 1 38 38 SER CA C 13 59.170 0.195 . 1 . . . . . 38 SER CA . 52569 1
136 . 1 . 1 38 38 SER CB C 13 62.053 0.085 . 1 . . . . . 38 SER CB . 52569 1
137 . 1 . 1 38 38 SER N N 15 118.856 0.017 . 1 . . . . . 38 SER N . 52569 1
138 . 1 . 1 39 39 ALA H H 1 7.926 0.002 . 1 . . . . . 39 ALA H . 52569 1
139 . 1 . 1 39 39 ALA CA C 13 54.288 0.055 . 1 . . . . . 39 ALA CA . 52569 1
140 . 1 . 1 39 39 ALA CB C 13 16.563 0.166 . 1 . . . . . 39 ALA CB . 52569 1
141 . 1 . 1 39 39 ALA N N 15 127.840 0.029 . 1 . . . . . 39 ALA N . 52569 1
142 . 1 . 1 40 40 ARG H H 1 7.691 0.003 . 1 . . . . . 40 ARG H . 52569 1
143 . 1 . 1 40 40 ARG CA C 13 56.702 0.040 . 1 . . . . . 40 ARG CA . 52569 1
144 . 1 . 1 40 40 ARG CB C 13 28.690 0.067 . 1 . . . . . 40 ARG CB . 52569 1
145 . 1 . 1 40 40 ARG N N 15 113.156 0.034 . 1 . . . . . 40 ARG N . 52569 1
146 . 1 . 1 41 41 LEU H H 1 7.543 0.005 . 1 . . . . . 41 LEU H . 52569 1
147 . 1 . 1 41 41 LEU CA C 13 54.882 0.075 . 1 . . . . . 41 LEU CA . 52569 1
148 . 1 . 1 41 41 LEU CB C 13 40.691 0.026 . 1 . . . . . 41 LEU CB . 52569 1
149 . 1 . 1 41 41 LEU N N 15 117.711 0.024 . 1 . . . . . 41 LEU N . 52569 1
150 . 1 . 1 42 42 LEU H H 1 7.365 0.002 . 1 . . . . . 42 LEU H . 52569 1
151 . 1 . 1 42 42 LEU CA C 13 53.268 0.000 . 1 . . . . . 42 LEU CA . 52569 1
152 . 1 . 1 42 42 LEU CB C 13 43.324 0.000 . 1 . . . . . 42 LEU CB . 52569 1
153 . 1 . 1 42 42 LEU N N 15 119.792 0.022 . 1 . . . . . 42 LEU N . 52569 1
154 . 1 . 1 47 47 SER CA C 13 58.149 0.000 . 1 . . . . . 47 SER CA . 52569 1
155 . 1 . 1 47 47 SER CB C 13 63.337 0.096 . 1 . . . . . 47 SER CB . 52569 1
156 . 1 . 1 48 48 ARG H H 1 9.059 0.004 . 1 . . . . . 48 ARG H . 52569 1
157 . 1 . 1 48 48 ARG CA C 13 56.759 0.068 . 1 . . . . . 48 ARG CA . 52569 1
158 . 1 . 1 48 48 ARG CB C 13 29.114 0.010 . 1 . . . . . 48 ARG CB . 52569 1
159 . 1 . 1 48 48 ARG N N 15 129.135 0.038 . 1 . . . . . 48 ARG N . 52569 1
160 . 1 . 1 49 49 GLU H H 1 7.995 0.001 . 1 . . . . . 49 GLU H . 52569 1
161 . 1 . 1 49 49 GLU CA C 13 58.162 0.124 . 1 . . . . . 49 GLU CA . 52569 1
162 . 1 . 1 49 49 GLU CB C 13 28.682 0.051 . 1 . . . . . 49 GLU CB . 52569 1
163 . 1 . 1 49 49 GLU N N 15 117.912 0.024 . 1 . . . . . 49 GLU N . 52569 1
164 . 1 . 1 50 50 LEU H H 1 7.178 0.004 . 1 . . . . . 50 LEU H . 52569 1
165 . 1 . 1 50 50 LEU CA C 13 54.881 0.016 . 1 . . . . . 50 LEU CA . 52569 1
166 . 1 . 1 50 50 LEU CB C 13 41.813 0.043 . 1 . . . . . 50 LEU CB . 52569 1
167 . 1 . 1 50 50 LEU N N 15 116.472 0.018 . 1 . . . . . 50 LEU N . 52569 1
168 . 1 . 1 51 51 TYR H H 1 7.183 0.003 . 1 . . . . . 51 TYR H . 52569 1
169 . 1 . 1 51 51 TYR CA C 13 53.033 0.000 . 1 . . . . . 51 TYR CA . 52569 1
170 . 1 . 1 51 51 TYR CB C 13 37.136 0.000 . 1 . . . . . 51 TYR CB . 52569 1
171 . 1 . 1 51 51 TYR N N 15 113.435 0.011 . 1 . . . . . 51 TYR N . 52569 1
172 . 1 . 1 52 52 PRO CA C 13 63.381 0.028 . 1 . . . . . 52 PRO CA . 52569 1
173 . 1 . 1 52 52 PRO CB C 13 30.923 0.001 . 1 . . . . . 52 PRO CB . 52569 1
174 . 1 . 1 53 53 VAL H H 1 8.613 0.001 . 1 . . . . . 53 VAL H . 52569 1
175 . 1 . 1 53 53 VAL CA C 13 60.596 0.087 . 1 . . . . . 53 VAL CA . 52569 1
176 . 1 . 1 53 53 VAL CB C 13 31.631 0.143 . 1 . . . . . 53 VAL CB . 52569 1
177 . 1 . 1 53 53 VAL N N 15 121.152 0.005 . 1 . . . . . 53 VAL N . 52569 1
178 . 1 . 1 54 54 VAL H H 1 9.423 0.001 . 1 . . . . . 54 VAL H . 52569 1
179 . 1 . 1 54 54 VAL CA C 13 58.248 0.125 . 1 . . . . . 54 VAL CA . 52569 1
180 . 1 . 1 54 54 VAL CB C 13 33.824 0.031 . 1 . . . . . 54 VAL CB . 52569 1
181 . 1 . 1 54 54 VAL N N 15 121.988 0.038 . 1 . . . . . 54 VAL N . 52569 1
182 . 1 . 1 55 55 HIS H H 1 8.386 0.003 . 1 . . . . . 55 HIS H . 52569 1
183 . 1 . 1 55 55 HIS CA C 13 55.817 0.077 . 1 . . . . . 55 HIS CA . 52569 1
184 . 1 . 1 55 55 HIS CB C 13 31.573 0.010 . 1 . . . . . 55 HIS CB . 52569 1
185 . 1 . 1 55 55 HIS N N 15 123.001 0.042 . 1 . . . . . 55 HIS N . 52569 1
186 . 1 . 1 56 56 ILE H H 1 8.575 0.001 . 1 . . . . . 56 ILE H . 52569 1
187 . 1 . 1 56 56 ILE CA C 13 60.528 0.000 . 1 . . . . . 56 ILE CA . 52569 1
188 . 1 . 1 56 56 ILE CB C 13 39.068 0.000 . 1 . . . . . 56 ILE CB . 52569 1
189 . 1 . 1 56 56 ILE N N 15 123.472 0.016 . 1 . . . . . 56 ILE N . 52569 1
190 . 1 . 1 58 58 ASP CA C 13 53.943 0.001 . 1 . . . . . 58 ASP CA . 52569 1
191 . 1 . 1 58 58 ASP CB C 13 40.326 0.000 . 1 . . . . . 58 ASP CB . 52569 1
192 . 1 . 1 59 59 GLU H H 1 7.807 0.003 . 1 . . . . . 59 GLU H . 52569 1
193 . 1 . 1 59 59 GLU CA C 13 54.819 0.022 . 1 . . . . . 59 GLU CA . 52569 1
194 . 1 . 1 59 59 GLU CB C 13 32.639 0.063 . 1 . . . . . 59 GLU CB . 52569 1
195 . 1 . 1 59 59 GLU N N 15 118.871 0.012 . 1 . . . . . 59 GLU N . 52569 1
196 . 1 . 1 60 60 SER H H 1 8.206 0.002 . 1 . . . . . 60 SER H . 52569 1
197 . 1 . 1 60 60 SER CA C 13 56.845 0.132 . 1 . . . . . 60 SER CA . 52569 1
198 . 1 . 1 60 60 SER CB C 13 63.842 0.021 . 1 . . . . . 60 SER CB . 52569 1
199 . 1 . 1 60 60 SER N N 15 115.513 0.005 . 1 . . . . . 60 SER N . 52569 1
200 . 1 . 1 61 61 TRP H H 1 9.318 0.001 . 1 . . . . . 61 TRP H . 52569 1
201 . 1 . 1 61 61 TRP CA C 13 55.407 0.042 . 1 . . . . . 61 TRP CA . 52569 1
202 . 1 . 1 61 61 TRP CB C 13 32.664 0.020 . 1 . . . . . 61 TRP CB . 52569 1
203 . 1 . 1 61 61 TRP N N 15 124.874 0.007 . 1 . . . . . 61 TRP N . 52569 1
204 . 1 . 1 62 62 ARG H H 1 9.867 0.001 . 1 . . . . . 62 ARG H . 52569 1
205 . 1 . 1 62 62 ARG CA C 13 52.991 0.034 . 1 . . . . . 62 ARG CA . 52569 1
206 . 1 . 1 62 62 ARG CB C 13 32.074 0.053 . 1 . . . . . 62 ARG CB . 52569 1
207 . 1 . 1 62 62 ARG N N 15 120.163 0.013 . 1 . . . . . 62 ARG N . 52569 1
208 . 1 . 1 63 63 MET H H 1 8.925 0.001 . 1 . . . . . 63 MET H . 52569 1
209 . 1 . 1 63 63 MET CA C 13 55.624 0.032 . 1 . . . . . 63 MET CA . 52569 1
210 . 1 . 1 63 63 MET CB C 13 32.823 0.129 . 1 . . . . . 63 MET CB . 52569 1
211 . 1 . 1 63 63 MET N N 15 122.780 0.017 . 1 . . . . . 63 MET N . 52569 1
212 . 1 . 1 64 64 MET H H 1 8.451 0.002 . 1 . . . . . 64 MET H . 52569 1
213 . 1 . 1 64 64 MET CA C 13 51.112 0.076 . 1 . . . . . 64 MET CA . 52569 1
214 . 1 . 1 64 64 MET CB C 13 25.801 0.029 . 1 . . . . . 64 MET CB . 52569 1
215 . 1 . 1 64 64 MET N N 15 124.929 0.020 . 1 . . . . . 64 MET N . 52569 1
216 . 1 . 1 65 65 THR H H 1 8.464 0.003 . 1 . . . . . 65 THR H . 52569 1
217 . 1 . 1 65 65 THR CA C 13 66.308 0.097 . 1 . . . . . 65 THR CA . 52569 1
218 . 1 . 1 65 65 THR CB C 13 68.629 0.033 . 1 . . . . . 65 THR CB . 52569 1
219 . 1 . 1 65 65 THR N N 15 121.138 0.044 . 1 . . . . . 65 THR N . 52569 1
220 . 1 . 1 66 66 THR H H 1 6.589 0.004 . 1 . . . . . 66 THR H . 52569 1
221 . 1 . 1 66 66 THR CA C 13 61.889 0.164 . 1 . . . . . 66 THR CA . 52569 1
222 . 1 . 1 66 66 THR CB C 13 67.037 0.083 . 1 . . . . . 66 THR CB . 52569 1
223 . 1 . 1 66 66 THR N N 15 101.522 0.023 . 1 . . . . . 66 THR N . 52569 1
224 . 1 . 1 67 67 ASP H H 1 8.346 0.001 . 1 . . . . . 67 ASP H . 52569 1
225 . 1 . 1 67 67 ASP CA C 13 52.279 0.151 . 1 . . . . . 67 ASP CA . 52569 1
226 . 1 . 1 67 67 ASP CB C 13 42.085 0.043 . 1 . . . . . 67 ASP CB . 52569 1
227 . 1 . 1 67 67 ASP N N 15 126.772 0.013 . 1 . . . . . 67 ASP N . 52569 1
228 . 1 . 1 68 68 MET H H 1 6.508 0.004 . 1 . . . . . 68 MET H . 52569 1
229 . 1 . 1 68 68 MET CA C 13 55.411 0.047 . 1 . . . . . 68 MET CA . 52569 1
230 . 1 . 1 68 68 MET CB C 13 34.462 0.014 . 1 . . . . . 68 MET CB . 52569 1
231 . 1 . 1 68 68 MET N N 15 111.689 0.046 . 1 . . . . . 68 MET N . 52569 1
232 . 1 . 1 69 69 ALA H H 1 8.909 0.004 . 1 . . . . . 69 ALA H . 52569 1
233 . 1 . 1 69 69 ALA CA C 13 51.543 0.088 . 1 . . . . . 69 ALA CA . 52569 1
234 . 1 . 1 69 69 ALA CB C 13 22.653 0.141 . 1 . . . . . 69 ALA CB . 52569 1
235 . 1 . 1 69 69 ALA N N 15 120.762 0.044 . 1 . . . . . 69 ALA N . 52569 1
236 . 1 . 1 70 70 SER H H 1 8.631 0.007 . 1 . . . . . 70 SER H . 52569 1
237 . 1 . 1 70 70 SER CA C 13 56.153 0.144 . 1 . . . . . 70 SER CA . 52569 1
238 . 1 . 1 70 70 SER CB C 13 62.685 0.098 . 1 . . . . . 70 SER CB . 52569 1
239 . 1 . 1 70 70 SER N N 15 115.283 0.051 . 1 . . . . . 70 SER N . 52569 1
240 . 1 . 1 71 71 VAL H H 1 8.602 0.005 . 1 . . . . . 71 VAL H . 52569 1
241 . 1 . 1 71 71 VAL CA C 13 56.059 0.000 . 1 . . . . . 71 VAL CA . 52569 1
242 . 1 . 1 71 71 VAL CB C 13 31.363 0.000 . 1 . . . . . 71 VAL CB . 52569 1
243 . 1 . 1 71 71 VAL N N 15 117.163 0.007 . 1 . . . . . 71 VAL N . 52569 1
244 . 1 . 1 72 72 PRO CA C 13 60.442 0.065 . 1 . . . . . 72 PRO CA . 52569 1
245 . 1 . 1 72 72 PRO CB C 13 31.043 0.008 . 1 . . . . . 72 PRO CB . 52569 1
246 . 1 . 1 73 73 VAL H H 1 7.998 0.002 . 1 . . . . . 73 VAL H . 52569 1
247 . 1 . 1 73 73 VAL CA C 13 63.853 0.077 . 1 . . . . . 73 VAL CA . 52569 1
248 . 1 . 1 73 73 VAL CB C 13 30.334 0.143 . 1 . . . . . 73 VAL CB . 52569 1
249 . 1 . 1 73 73 VAL N N 15 116.909 0.024 . 1 . . . . . 73 VAL N . 52569 1
250 . 1 . 1 74 74 SER H H 1 7.965 0.002 . 1 . . . . . 74 SER H . 52569 1
251 . 1 . 1 74 74 SER CA C 13 59.731 0.081 . 1 . . . . . 74 SER CA . 52569 1
252 . 1 . 1 74 74 SER CB C 13 61.597 0.059 . 1 . . . . . 74 SER CB . 52569 1
253 . 1 . 1 74 74 SER N N 15 113.999 0.018 . 1 . . . . . 74 SER N . 52569 1
254 . 1 . 1 75 75 VAL H H 1 7.816 0.002 . 1 . . . . . 75 VAL H . 52569 1
255 . 1 . 1 75 75 VAL CA C 13 60.246 0.083 . 1 . . . . . 75 VAL CA . 52569 1
256 . 1 . 1 75 75 VAL CB C 13 30.352 0.136 . 1 . . . . . 75 VAL CB . 52569 1
257 . 1 . 1 75 75 VAL N N 15 113.042 0.015 . 1 . . . . . 75 VAL N . 52569 1
258 . 1 . 1 76 76 ILE H H 1 7.764 0.003 . 1 . . . . . 76 ILE H . 52569 1
259 . 1 . 1 76 76 ILE CA C 13 63.002 0.034 . 1 . . . . . 76 ILE CA . 52569 1
260 . 1 . 1 76 76 ILE CB C 13 36.352 0.041 . 1 . . . . . 76 ILE CB . 52569 1
261 . 1 . 1 76 76 ILE N N 15 124.691 0.008 . 1 . . . . . 76 ILE N . 52569 1
262 . 1 . 1 77 77 GLY H H 1 8.951 0.001 . 1 . . . . . 77 GLY H . 52569 1
263 . 1 . 1 77 77 GLY CA C 13 43.851 0.094 . 1 . . . . . 77 GLY CA . 52569 1
264 . 1 . 1 77 77 GLY N N 15 117.966 0.013 . 1 . . . . . 77 GLY N . 52569 1
265 . 1 . 1 78 78 GLU H H 1 8.109 0.001 . 1 . . . . . 78 GLU H . 52569 1
266 . 1 . 1 78 78 GLU CA C 13 55.591 0.091 . 1 . . . . . 78 GLU CA . 52569 1
267 . 1 . 1 78 78 GLU CB C 13 29.984 0.036 . 1 . . . . . 78 GLU CB . 52569 1
268 . 1 . 1 78 78 GLU N N 15 120.756 0.019 . 1 . . . . . 78 GLU N . 52569 1
269 . 1 . 1 79 79 GLU H H 1 8.584 0.001 . 1 . . . . . 79 GLU H . 52569 1
270 . 1 . 1 79 79 GLU CA C 13 55.740 0.093 . 1 . . . . . 79 GLU CA . 52569 1
271 . 1 . 1 79 79 GLU CB C 13 29.764 0.072 . 1 . . . . . 79 GLU CB . 52569 1
272 . 1 . 1 79 79 GLU N N 15 121.854 0.010 . 1 . . . . . 79 GLU N . 52569 1
273 . 1 . 1 80 80 VAL H H 1 9.097 0.002 . 1 . . . . . 80 VAL H . 52569 1
274 . 1 . 1 80 80 VAL CA C 13 61.014 0.052 . 1 . . . . . 80 VAL CA . 52569 1
275 . 1 . 1 80 80 VAL CB C 13 33.500 0.073 . 1 . . . . . 80 VAL CB . 52569 1
276 . 1 . 1 80 80 VAL N N 15 121.884 0.013 . 1 . . . . . 80 VAL N . 52569 1
277 . 1 . 1 81 81 ALA H H 1 7.417 0.004 . 1 . . . . . 81 ALA H . 52569 1
278 . 1 . 1 81 81 ALA CA C 13 51.576 0.076 . 1 . . . . . 81 ALA CA . 52569 1
279 . 1 . 1 81 81 ALA CB C 13 21.101 0.040 . 1 . . . . . 81 ALA CB . 52569 1
280 . 1 . 1 81 81 ALA N N 15 118.988 0.021 . 1 . . . . . 81 ALA N . 52569 1
281 . 1 . 1 82 82 ASP H H 1 8.482 0.002 . 1 . . . . . 82 ASP H . 52569 1
282 . 1 . 1 82 82 ASP CA C 13 53.097 0.073 . 1 . . . . . 82 ASP CA . 52569 1
283 . 1 . 1 82 82 ASP CB C 13 43.147 0.028 . 1 . . . . . 82 ASP CB . 52569 1
284 . 1 . 1 82 82 ASP N N 15 118.469 0.009 . 1 . . . . . 82 ASP N . 52569 1
285 . 1 . 1 83 83 LEU H H 1 9.125 0.001 . 1 . . . . . 83 LEU H . 52569 1
286 . 1 . 1 83 83 LEU CA C 13 52.850 0.044 . 1 . . . . . 83 LEU CA . 52569 1
287 . 1 . 1 83 83 LEU CB C 13 40.920 0.010 . 1 . . . . . 83 LEU CB . 52569 1
288 . 1 . 1 83 83 LEU N N 15 124.509 0.003 . 1 . . . . . 83 LEU N . 52569 1
289 . 1 . 1 84 84 SER H H 1 9.047 0.001 . 1 . . . . . 84 SER H . 52569 1
290 . 1 . 1 84 84 SER CA C 13 62.661 0.000 . 1 . . . . . 84 SER CA . 52569 1
291 . 1 . 1 84 84 SER CB C 13 61.454 0.000 . 1 . . . . . 84 SER CB . 52569 1
292 . 1 . 1 84 84 SER N N 15 118.799 0.016 . 1 . . . . . 84 SER N . 52569 1
293 . 1 . 1 85 85 HIS CA C 13 57.652 0.007 . 1 . . . . . 85 HIS CA . 52569 1
294 . 1 . 1 85 85 HIS CB C 13 28.192 0.001 . 1 . . . . . 85 HIS CB . 52569 1
295 . 1 . 1 86 86 ARG H H 1 7.718 0.001 . 1 . . . . . 86 ARG H . 52569 1
296 . 1 . 1 86 86 ARG CA C 13 51.192 0.079 . 1 . . . . . 86 ARG CA . 52569 1
297 . 1 . 1 86 86 ARG CB C 13 25.122 0.104 . 1 . . . . . 86 ARG CB . 52569 1
298 . 1 . 1 86 86 ARG N N 15 119.277 0.001 . 1 . . . . . 86 ARG N . 52569 1
299 . 1 . 1 87 87 GLU H H 1 7.079 0.003 . 1 . . . . . 87 GLU H . 52569 1
300 . 1 . 1 87 87 GLU CA C 13 59.384 0.072 . 1 . . . . . 87 GLU CA . 52569 1
301 . 1 . 1 87 87 GLU CB C 13 28.336 0.087 . 1 . . . . . 87 GLU CB . 52569 1
302 . 1 . 1 87 87 GLU N N 15 120.138 0.029 . 1 . . . . . 87 GLU N . 52569 1
303 . 1 . 1 88 88 ASN H H 1 8.609 0.003 . 1 . . . . . 88 ASN H . 52569 1
304 . 1 . 1 88 88 ASN CA C 13 56.413 0.124 . 1 . . . . . 88 ASN CA . 52569 1
305 . 1 . 1 88 88 ASN CB C 13 37.163 0.007 . 1 . . . . . 88 ASN CB . 52569 1
306 . 1 . 1 88 88 ASN N N 15 115.648 0.030 . 1 . . . . . 88 ASN N . 52569 1
307 . 1 . 1 89 89 ASP H H 1 7.559 0.002 . 1 . . . . . 89 ASP H . 52569 1
308 . 1 . 1 89 89 ASP CA C 13 56.535 0.080 . 1 . . . . . 89 ASP CA . 52569 1
309 . 1 . 1 89 89 ASP CB C 13 39.834 0.041 . 1 . . . . . 89 ASP CB . 52569 1
310 . 1 . 1 89 89 ASP N N 15 118.797 0.015 . 1 . . . . . 89 ASP N . 52569 1
311 . 1 . 1 90 90 ILE H H 1 8.099 0.001 . 1 . . . . . 90 ILE H . 52569 1
312 . 1 . 1 90 90 ILE CA C 13 65.675 0.072 . 1 . . . . . 90 ILE CA . 52569 1
313 . 1 . 1 90 90 ILE CB C 13 37.263 0.051 . 1 . . . . . 90 ILE CB . 52569 1
314 . 1 . 1 90 90 ILE N N 15 122.076 0.013 . 1 . . . . . 90 ILE N . 52569 1
315 . 1 . 1 91 91 LYS H H 1 8.625 0.003 . 1 . . . . . 91 LYS H . 52569 1
316 . 1 . 1 91 91 LYS CA C 13 58.668 0.067 . 1 . . . . . 91 LYS CA . 52569 1
317 . 1 . 1 91 91 LYS CB C 13 30.687 0.066 . 1 . . . . . 91 LYS CB . 52569 1
318 . 1 . 1 91 91 LYS N N 15 118.286 0.025 . 1 . . . . . 91 LYS N . 52569 1
319 . 1 . 1 92 92 ASN H H 1 7.907 0.006 . 1 . . . . . 92 ASN H . 52569 1
320 . 1 . 1 92 92 ASN CA C 13 55.615 0.099 . 1 . . . . . 92 ASN CA . 52569 1
321 . 1 . 1 92 92 ASN CB C 13 37.698 0.007 . 1 . . . . . 92 ASN CB . 52569 1
322 . 1 . 1 92 92 ASN N N 15 115.157 0.037 . 1 . . . . . 92 ASN N . 52569 1
323 . 1 . 1 93 93 ALA H H 1 7.384 0.002 . 1 . . . . . 93 ALA H . 52569 1
324 . 1 . 1 93 93 ALA CA C 13 55.213 0.096 . 1 . . . . . 93 ALA CA . 52569 1
325 . 1 . 1 93 93 ALA CB C 13 17.495 0.067 . 1 . . . . . 93 ALA CB . 52569 1
326 . 1 . 1 93 93 ALA N N 15 122.028 0.008 . 1 . . . . . 93 ALA N . 52569 1
327 . 1 . 1 94 94 ILE H H 1 7.590 0.003 . 1 . . . . . 94 ILE H . 52569 1
328 . 1 . 1 94 94 ILE CA C 13 65.168 0.070 . 1 . . . . . 94 ILE CA . 52569 1
329 . 1 . 1 94 94 ILE CB C 13 37.698 0.012 . 1 . . . . . 94 ILE CB . 52569 1
330 . 1 . 1 94 94 ILE N N 15 115.731 0.014 . 1 . . . . . 94 ILE N . 52569 1
331 . 1 . 1 95 95 ASN H H 1 8.341 0.007 . 1 . . . . . 95 ASN H . 52569 1
332 . 1 . 1 95 95 ASN CA C 13 55.520 0.019 . 1 . . . . . 95 ASN CA . 52569 1
333 . 1 . 1 95 95 ASN CB C 13 37.564 0.044 . 1 . . . . . 95 ASN CB . 52569 1
334 . 1 . 1 95 95 ASN N N 15 114.778 0.048 . 1 . . . . . 95 ASN N . 52569 1
335 . 1 . 1 96 96 LEU H H 1 7.830 0.002 . 1 . . . . . 96 LEU H . 52569 1
336 . 1 . 1 96 96 LEU CA C 13 56.805 0.024 . 1 . . . . . 96 LEU CA . 52569 1
337 . 1 . 1 96 96 LEU CB C 13 41.351 0.012 . 1 . . . . . 96 LEU CB . 52569 1
338 . 1 . 1 96 96 LEU N N 15 120.278 0.030 . 1 . . . . . 96 LEU N . 52569 1
339 . 1 . 1 97 97 MET H H 1 7.177 0.004 . 1 . . . . . 97 MET H . 52569 1
340 . 1 . 1 97 97 MET CA C 13 57.209 0.004 . 1 . . . . . 97 MET CA . 52569 1
341 . 1 . 1 97 97 MET CB C 13 30.543 0.165 . 1 . . . . . 97 MET CB . 52569 1
342 . 1 . 1 97 97 MET N N 15 115.268 0.016 . 1 . . . . . 97 MET N . 52569 1
343 . 1 . 1 98 98 PHE H H 1 6.780 0.005 . 1 . . . . . 98 PHE H . 52569 1
344 . 1 . 1 98 98 PHE CA C 13 57.668 0.037 . 1 . . . . . 98 PHE CA . 52569 1
345 . 1 . 1 98 98 PHE CB C 13 38.400 0.153 . 1 . . . . . 98 PHE CB . 52569 1
346 . 1 . 1 98 98 PHE N N 15 111.738 0.020 . 1 . . . . . 98 PHE N . 52569 1
347 . 1 . 1 99 99 TRP H H 1 7.905 0.004 . 1 . . . . . 99 TRP H . 52569 1
348 . 1 . 1 99 99 TRP CA C 13 55.978 0.145 . 1 . . . . . 99 TRP CA . 52569 1
349 . 1 . 1 99 99 TRP CB C 13 30.192 0.076 . 1 . . . . . 99 TRP CB . 52569 1
350 . 1 . 1 99 99 TRP N N 15 118.132 0.020 . 1 . . . . . 99 TRP N . 52569 1
351 . 1 . 1 100 100 THR H H 1 7.973 0.002 . 1 . . . . . 100 THR H . 52569 1
352 . 1 . 1 100 100 THR CA C 13 62.811 0.034 . 1 . . . . . 100 THR CA . 52569 1
353 . 1 . 1 100 100 THR CB C 13 69.001 0.060 . 1 . . . . . 100 THR CB . 52569 1
354 . 1 . 1 100 100 THR N N 15 118.825 0.014 . 1 . . . . . 100 THR N . 52569 1
355 . 1 . 1 101 101 ILE H H 1 7.787 0.001 . 1 . . . . . 101 ILE H . 52569 1
356 . 1 . 1 101 101 ILE CA C 13 62.583 0.000 . 1 . . . . . 101 ILE CA . 52569 1
357 . 1 . 1 101 101 ILE CB C 13 39.094 0.000 . 1 . . . . . 101 ILE CB . 52569 1
358 . 1 . 1 101 101 ILE N N 15 129.134 0.010 . 1 . . . . . 101 ILE N . 52569 1
stop_
save_