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 52002
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name bb
_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 0.015
_Assigned_chem_shift_list.Chem_shift_13C_err 0.15
_Assigned_chem_shift_list.Chem_shift_15N_err 0.15
_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
;
The generic precision in measuring standard protein 3D experiments:
0.01-0.02 ppm for 1H and 0.1-0.2 ppm for 13C and 15N.
;
_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
2 '3D CBCA(CO)NH' . . . 52002 1
3 '3D HNCACB' . . . 52002 1
4 '3D C(CO)NH' . . . 52002 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 . . 52002 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 55.549 0.00 . 1 . . . . . 1 MET CA . 52002 1
2 . 1 . 1 2 2 THR H H 1 8.602 0.00 . 1 . . . . . 2 THR H . 52002 1
3 . 1 . 1 2 2 THR CA C 13 63.142 0.00 . 1 . . . . . 2 THR CA . 52002 1
4 . 1 . 1 2 2 THR N N 15 122.077 0.01 . 1 . . . . . 2 THR N . 52002 1
5 . 1 . 1 3 3 GLU H H 1 8.383 0.00 . 1 . . . . . 3 GLU H . 52002 1
6 . 1 . 1 3 3 GLU CA C 13 54.583 0.00 . 1 . . . . . 3 GLU CA . 52002 1
7 . 1 . 1 3 3 GLU N N 15 126.145 0.02 . 1 . . . . . 3 GLU N . 52002 1
8 . 1 . 1 4 4 TYR H H 1 8.599 0.00 . 1 . . . . . 4 TYR H . 52002 1
9 . 1 . 1 4 4 TYR CA C 13 57.406 0.00 . 1 . . . . . 4 TYR CA . 52002 1
10 . 1 . 1 4 4 TYR N N 15 121.418 0.00 . 1 . . . . . 4 TYR N . 52002 1
11 . 1 . 1 5 5 LYS H H 1 9.130 0.00 . 1 . . . . . 5 LYS H . 52002 1
12 . 1 . 1 5 5 LYS CA C 13 55.627 0.00 . 1 . . . . . 5 LYS CA . 52002 1
13 . 1 . 1 5 5 LYS N N 15 123.883 0.01 . 1 . . . . . 5 LYS N . 52002 1
14 . 1 . 1 6 6 LEU H H 1 9.255 0.00 . 1 . . . . . 6 LEU H . 52002 1
15 . 1 . 1 6 6 LEU CA C 13 53.190 0.00 . 1 . . . . . 6 LEU CA . 52002 1
16 . 1 . 1 6 6 LEU N N 15 125.920 0.00 . 1 . . . . . 6 LEU N . 52002 1
17 . 1 . 1 7 7 VAL H H 1 8.081 0.00 . 1 . . . . . 7 VAL H . 52002 1
18 . 1 . 1 7 7 VAL CA C 13 60.859 0.00 . 1 . . . . . 7 VAL CA . 52002 1
19 . 1 . 1 7 7 VAL N N 15 121.944 0.02 . 1 . . . . . 7 VAL N . 52002 1
20 . 1 . 1 8 8 VAL H H 1 8.839 0.00 . 1 . . . . . 8 VAL H . 52002 1
21 . 1 . 1 8 8 VAL CA C 13 62.085 0.00 . 1 . . . . . 8 VAL CA . 52002 1
22 . 1 . 1 8 8 VAL N N 15 129.419 0.00 . 1 . . . . . 8 VAL N . 52002 1
23 . 1 . 1 9 9 VAL H H 1 9.060 0.00 . 1 . . . . . 9 VAL H . 52002 1
24 . 1 . 1 9 9 VAL N N 15 120.243 0.00 . 1 . . . . . 9 VAL N . 52002 1
25 . 1 . 1 21 21 ILE CA C 13 64.501 0.00 . 1 . . . . . 21 ILE CA . 52002 1
26 . 1 . 1 22 22 GLN H H 1 7.854 0.00 . 1 . . . . . 22 GLN H . 52002 1
27 . 1 . 1 22 22 GLN CA C 13 59.256 0.00 . 1 . . . . . 22 GLN CA . 52002 1
28 . 1 . 1 22 22 GLN N N 15 120.791 0.00 . 1 . . . . . 22 GLN N . 52002 1
29 . 1 . 1 23 23 LEU H H 1 7.593 0.00 . 1 . . . . . 23 LEU H . 52002 1
30 . 1 . 1 23 23 LEU CA C 13 58.123 0.00 . 1 . . . . . 23 LEU CA . 52002 1
31 . 1 . 1 23 23 LEU N N 15 120.588 0.01 . 1 . . . . . 23 LEU N . 52002 1
32 . 1 . 1 24 24 ILE H H 1 8.142 0.00 . 1 . . . . . 24 ILE H . 52002 1
33 . 1 . 1 24 24 ILE CA C 13 61.969 0.00 . 1 . . . . . 24 ILE CA . 52002 1
34 . 1 . 1 24 24 ILE N N 15 114.189 0.00 . 1 . . . . . 24 ILE N . 52002 1
35 . 1 . 1 25 25 GLN H H 1 8.912 0.00 . 1 . . . . . 25 GLN H . 52002 1
36 . 1 . 1 25 25 GLN CA C 13 55.235 0.00 . 1 . . . . . 25 GLN CA . 52002 1
37 . 1 . 1 25 25 GLN N N 15 116.198 0.01 . 1 . . . . . 25 GLN N . 52002 1
38 . 1 . 1 26 26 ASN H H 1 7.924 0.01 . 1 . . . . . 26 ASN H . 52002 1
39 . 1 . 1 26 26 ASN CA C 13 54.529 0.00 . 1 . . . . . 26 ASN CA . 52002 1
40 . 1 . 1 26 26 ASN N N 15 116.686 0.01 . 1 . . . . . 26 ASN N . 52002 1
41 . 1 . 1 27 27 HIS H H 1 6.707 0.00 . 1 . . . . . 27 HIS H . 52002 1
42 . 1 . 1 27 27 HIS CA C 13 54.720 0.00 . 1 . . . . . 27 HIS CA . 52002 1
43 . 1 . 1 27 27 HIS N N 15 112.371 0.02 . 1 . . . . . 27 HIS N . 52002 1
44 . 1 . 1 28 28 PHE H H 1 8.365 0.01 . 1 . . . . . 28 PHE H . 52002 1
45 . 1 . 1 28 28 PHE N N 15 122.362 0.02 . 1 . . . . . 28 PHE N . 52002 1
46 . 1 . 1 41 41 ARG CB C 13 44.328 0.10 . 1 . . . . . 41 ARG CB . 52002 1
47 . 1 . 1 42 42 LYS H H 1 8.738 0.00 . 1 . . . . . 42 LYS H . 52002 1
48 . 1 . 1 42 42 LYS CA C 13 55.709 0.00 . 1 . . . . . 42 LYS CA . 52002 1
49 . 1 . 1 42 42 LYS N N 15 123.249 0.01 . 1 . . . . . 42 LYS N . 52002 1
50 . 1 . 1 43 43 GLN H H 1 8.846 0.00 . 1 . . . . . 43 GLN H . 52002 1
51 . 1 . 1 43 43 GLN CA C 13 55.257 0.00 . 1 . . . . . 43 GLN CA . 52002 1
52 . 1 . 1 43 43 GLN N N 15 129.042 0.00 . 1 . . . . . 43 GLN N . 52002 1
53 . 1 . 1 44 44 VAL H H 1 9.057 0.00 . 1 . . . . . 44 VAL H . 52002 1
54 . 1 . 1 44 44 VAL CA C 13 59.562 0.00 . 1 . . . . . 44 VAL CA . 52002 1
55 . 1 . 1 44 44 VAL N N 15 121.781 0.00 . 1 . . . . . 44 VAL N . 52002 1
56 . 1 . 1 45 45 VAL H H 1 8.083 0.00 . 1 . . . . . 45 VAL H . 52002 1
57 . 1 . 1 45 45 VAL CA C 13 61.627 0.00 . 1 . . . . . 45 VAL CA . 52002 1
58 . 1 . 1 45 45 VAL N N 15 122.245 0.01 . 1 . . . . . 45 VAL N . 52002 1
59 . 1 . 1 46 46 ILE H H 1 8.370 0.00 . 1 . . . . . 46 ILE H . 52002 1
60 . 1 . 1 46 46 ILE CA C 13 60.348 0.00 . 1 . . . . . 46 ILE CA . 52002 1
61 . 1 . 1 46 46 ILE N N 15 126.197 0.04 . 1 . . . . . 46 ILE N . 52002 1
62 . 1 . 1 47 47 ASP H H 1 9.516 0.00 . 1 . . . . . 47 ASP H . 52002 1
63 . 1 . 1 47 47 ASP CA C 13 55.268 0.00 . 1 . . . . . 47 ASP CA . 52002 1
64 . 1 . 1 47 47 ASP N N 15 130.012 0.01 . 1 . . . . . 47 ASP N . 52002 1
65 . 1 . 1 48 48 GLY H H 1 8.259 0.00 . 1 . . . . . 48 GLY H . 52002 1
66 . 1 . 1 48 48 GLY CA C 13 45.361 0.00 . 1 . . . . . 48 GLY CA . 52002 1
67 . 1 . 1 48 48 GLY N N 15 103.434 0.01 . 1 . . . . . 48 GLY N . 52002 1
68 . 1 . 1 49 49 GLU H H 1 7.704 0.00 . 1 . . . . . 49 GLU H . 52002 1
69 . 1 . 1 49 49 GLU CA C 13 54.676 0.00 . 1 . . . . . 49 GLU CA . 52002 1
70 . 1 . 1 49 49 GLU N N 15 122.864 0.01 . 1 . . . . . 49 GLU N . 52002 1
71 . 1 . 1 50 50 THR H H 1 8.977 0.00 . 1 . . . . . 50 THR H . 52002 1
72 . 1 . 1 50 50 THR CA C 13 63.880 0.00 . 1 . . . . . 50 THR CA . 52002 1
73 . 1 . 1 50 50 THR N N 15 125.514 0.00 . 1 . . . . . 50 THR N . 52002 1
74 . 1 . 1 51 51 CYS H H 1 9.356 0.00 . 1 . . . . . 51 CYS H . 52002 1
75 . 1 . 1 51 51 CYS CA C 13 56.641 0.00 . 1 . . . . . 51 CYS CA . 52002 1
76 . 1 . 1 51 51 CYS N N 15 125.116 0.01 . 1 . . . . . 51 CYS N . 52002 1
77 . 1 . 1 52 52 LEU H H 1 8.861 0.00 . 1 . . . . . 52 LEU H . 52002 1
78 . 1 . 1 52 52 LEU CA C 13 53.450 0.00 . 1 . . . . . 52 LEU CA . 52002 1
79 . 1 . 1 52 52 LEU N N 15 122.972 0.00 . 1 . . . . . 52 LEU N . 52002 1
80 . 1 . 1 53 53 LEU H H 1 9.073 0.00 . 1 . . . . . 53 LEU H . 52002 1
81 . 1 . 1 53 53 LEU N N 15 124.062 0.01 . 1 . . . . . 53 LEU N . 52002 1
82 . 1 . 1 54 54 ASP CA C 13 53.225 0.00 . 1 . . . . . 54 ASP CA . 52002 1
83 . 1 . 1 55 55 ILE H H 1 9.218 0.00 . 1 . . . . . 55 ILE H . 52002 1
84 . 1 . 1 55 55 ILE N N 15 124.118 0.00 . 1 . . . . . 55 ILE N . 52002 1
85 . 1 . 1 73 73 ARG CA C 13 59.593 0.00 . 1 . . . . . 73 ARG CA . 52002 1
86 . 1 . 1 74 74 THR H H 1 7.569 0.00 . 1 . . . . . 74 THR H . 52002 1
87 . 1 . 1 74 74 THR CA C 13 63.188 0.00 . 1 . . . . . 74 THR CA . 52002 1
88 . 1 . 1 74 74 THR N N 15 108.558 0.01 . 1 . . . . . 74 THR N . 52002 1
89 . 1 . 1 75 75 GLY H H 1 7.817 0.00 . 1 . . . . . 75 GLY H . 52002 1
90 . 1 . 1 75 75 GLY N N 15 107.769 0.01 . 1 . . . . . 75 GLY N . 52002 1
91 . 1 . 1 76 76 GLU CA C 13 56.593 0.00 . 1 . . . . . 76 GLU CA . 52002 1
92 . 1 . 1 77 77 GLY H H 1 7.165 0.00 . 1 . . . . . 77 GLY H . 52002 1
93 . 1 . 1 77 77 GLY CA C 13 45.413 0.00 . 1 . . . . . 77 GLY CA . 52002 1
94 . 1 . 1 77 77 GLY N N 15 101.024 0.00 . 1 . . . . . 77 GLY N . 52002 1
95 . 1 . 1 78 78 PHE H H 1 8.137 0.00 . 1 . . . . . 78 PHE H . 52002 1
96 . 1 . 1 78 78 PHE CA C 13 57.150 0.00 . 1 . . . . . 78 PHE CA . 52002 1
97 . 1 . 1 78 78 PHE N N 15 120.862 0.01 . 1 . . . . . 78 PHE N . 52002 1
98 . 1 . 1 79 79 LEU H H 1 9.277 0.00 . 1 . . . . . 79 LEU H . 52002 1
99 . 1 . 1 79 79 LEU CA C 13 53.793 0.00 . 1 . . . . . 79 LEU CA . 52002 1
100 . 1 . 1 79 79 LEU N N 15 128.127 0.01 . 1 . . . . . 79 LEU N . 52002 1
101 . 1 . 1 80 80 CYS H H 1 8.777 0.00 . 1 . . . . . 80 CYS H . 52002 1
102 . 1 . 1 80 80 CYS CA C 13 57.839 0.00 . 1 . . . . . 80 CYS CA . 52002 1
103 . 1 . 1 80 80 CYS N N 15 125.138 0.01 . 1 . . . . . 80 CYS N . 52002 1
104 . 1 . 1 81 81 VAL H H 1 9.116 0.00 . 1 . . . . . 81 VAL H . 52002 1
105 . 1 . 1 81 81 VAL CA C 13 61.286 0.00 . 1 . . . . . 81 VAL CA . 52002 1
106 . 1 . 1 81 81 VAL N N 15 126.305 0.01 . 1 . . . . . 81 VAL N . 52002 1
107 . 1 . 1 82 82 PHE H H 1 9.343 0.00 . 1 . . . . . 82 PHE H . 52002 1
108 . 1 . 1 82 82 PHE CA C 13 55.248 0.00 . 1 . . . . . 82 PHE CA . 52002 1
109 . 1 . 1 82 82 PHE N N 15 123.721 0.00 . 1 . . . . . 82 PHE N . 52002 1
110 . 1 . 1 83 83 ALA H H 1 8.768 0.00 . 1 . . . . . 83 ALA H . 52002 1
111 . 1 . 1 83 83 ALA CA C 13 49.798 0.00 . 1 . . . . . 83 ALA CA . 52002 1
112 . 1 . 1 83 83 ALA N N 15 121.434 0.00 . 1 . . . . . 83 ALA N . 52002 1
113 . 1 . 1 84 84 ILE H H 1 8.391 0.00 . 1 . . . . . 84 ILE H . 52002 1
114 . 1 . 1 84 84 ILE CA C 13 63.539 0.00 . 1 . . . . . 84 ILE CA . 52002 1
115 . 1 . 1 84 84 ILE N N 15 113.226 0.02 . 1 . . . . . 84 ILE N . 52002 1
116 . 1 . 1 85 85 ASN H H 1 7.899 0.00 . 1 . . . . . 85 ASN H . 52002 1
117 . 1 . 1 85 85 ASN CA C 13 52.212 0.00 . 1 . . . . . 85 ASN CA . 52002 1
118 . 1 . 1 85 85 ASN N N 15 116.996 0.01 . 1 . . . . . 85 ASN N . 52002 1
119 . 1 . 1 86 86 ASN H H 1 7.842 0.00 . 1 . . . . . 86 ASN H . 52002 1
120 . 1 . 1 86 86 ASN N N 15 118.988 0.01 . 1 . . . . . 86 ASN N . 52002 1
121 . 1 . 1 87 87 THR CA C 13 66.842 0.00 . 1 . . . . . 87 THR CA . 52002 1
122 . 1 . 1 88 88 LYS H H 1 8.433 0.00 . 1 . . . . . 88 LYS H . 52002 1
123 . 1 . 1 88 88 LYS CA C 13 59.534 0.00 . 1 . . . . . 88 LYS CA . 52002 1
124 . 1 . 1 88 88 LYS N N 15 124.246 0.00 . 1 . . . . . 88 LYS N . 52002 1
125 . 1 . 1 89 89 SER H H 1 7.967 0.00 . 1 . . . . . 89 SER H . 52002 1
126 . 1 . 1 89 89 SER CA C 13 61.661 0.00 . 1 . . . . . 89 SER CA . 52002 1
127 . 1 . 1 89 89 SER N N 15 114.314 0.01 . 1 . . . . . 89 SER N . 52002 1
128 . 1 . 1 90 90 PHE H H 1 7.427 0.00 . 1 . . . . . 90 PHE H . 52002 1
129 . 1 . 1 90 90 PHE CA C 13 59.905 0.00 . 1 . . . . . 90 PHE CA . 52002 1
130 . 1 . 1 90 90 PHE N N 15 124.868 0.01 . 1 . . . . . 90 PHE N . 52002 1
131 . 1 . 1 91 91 GLU H H 1 8.352 0.00 . 1 . . . . . 91 GLU H . 52002 1
132 . 1 . 1 91 91 GLU CA C 13 59.138 0.00 . 1 . . . . . 91 GLU CA . 52002 1
133 . 1 . 1 91 91 GLU N N 15 121.694 0.00 . 1 . . . . . 91 GLU N . 52002 1
134 . 1 . 1 92 92 ASP H H 1 8.564 0.00 . 1 . . . . . 92 ASP H . 52002 1
135 . 1 . 1 92 92 ASP CA C 13 56.281 0.00 . 1 . . . . . 92 ASP CA . 52002 1
136 . 1 . 1 92 92 ASP N N 15 117.234 0.01 . 1 . . . . . 92 ASP N . 52002 1
137 . 1 . 1 93 93 ILE H H 1 7.541 0.00 . 1 . . . . . 93 ILE H . 52002 1
138 . 1 . 1 93 93 ILE CA C 13 62.276 0.00 . 1 . . . . . 93 ILE CA . 52002 1
139 . 1 . 1 93 93 ILE N N 15 120.377 0.00 . 1 . . . . . 93 ILE N . 52002 1
140 . 1 . 1 94 94 HIS H H 1 7.641 0.00 . 1 . . . . . 94 HIS H . 52002 1
141 . 1 . 1 94 94 HIS N N 15 117.251 0.01 . 1 . . . . . 94 HIS N . 52002 1
142 . 1 . 1 95 95 HIS H H 1 7.115 0.00 . 1 . . . . . 95 HIS H . 52002 1
143 . 1 . 1 95 95 HIS CA C 13 58.630 0.00 . 1 . . . . . 95 HIS CA . 52002 1
144 . 1 . 1 95 95 HIS CB C 13 29.610 0.00 . 1 . . . . . 95 HIS CB . 52002 1
145 . 1 . 1 95 95 HIS N N 15 116.639 0.00 . 1 . . . . . 95 HIS N . 52002 1
146 . 1 . 1 96 96 TYR H H 1 7.746 0.00 . 1 . . . . . 96 TYR H . 52002 1
147 . 1 . 1 96 96 TYR CA C 13 63.355 0.00 . 1 . . . . . 96 TYR CA . 52002 1
148 . 1 . 1 96 96 TYR CB C 13 38.155 0.00 . 1 . . . . . 96 TYR CB . 52002 1
149 . 1 . 1 96 96 TYR N N 15 118.996 0.03 . 1 . . . . . 96 TYR N . 52002 1
150 . 1 . 1 100 100 ILE CA C 13 65.906 0.00 . 1 . . . . . 100 ILE CA . 52002 1
151 . 1 . 1 101 101 LYS H H 1 7.752 0.00 . 1 . . . . . 101 LYS H . 52002 1
152 . 1 . 1 101 101 LYS CA C 13 59.792 0.00 . 1 . . . . . 101 LYS CA . 52002 1
153 . 1 . 1 101 101 LYS N N 15 116.821 0.01 . 1 . . . . . 101 LYS N . 52002 1
154 . 1 . 1 102 102 ARG H H 1 7.684 0.00 . 1 . . . . . 102 ARG H . 52002 1
155 . 1 . 1 102 102 ARG N N 15 118.228 0.01 . 1 . . . . . 102 ARG N . 52002 1
156 . 1 . 1 103 103 VAL CA C 13 62.901 2.82 . 1 . . . . . 103 VAL CA . 52002 1
157 . 1 . 1 104 104 LYS H H 1 8.069 0.08 . 1 . . . . . 104 LYS H . 52002 1
158 . 1 . 1 104 104 LYS CA C 13 55.613 0.00 . 1 . . . . . 104 LYS CA . 52002 1
159 . 1 . 1 104 104 LYS N N 15 116.274 0.29 . 1 . . . . . 104 LYS N . 52002 1
160 . 1 . 1 105 105 ASP H H 1 7.901 0.00 . 1 . . . . . 105 ASP H . 52002 1
161 . 1 . 1 105 105 ASP CA C 13 54.607 0.00 . 1 . . . . . 105 ASP CA . 52002 1
162 . 1 . 1 105 105 ASP N N 15 120.883 0.00 . 1 . . . . . 105 ASP N . 52002 1
163 . 1 . 1 106 106 SER H H 1 7.622 0.00 . 1 . . . . . 106 SER H . 52002 1
164 . 1 . 1 106 106 SER CA C 13 57.254 0.00 . 1 . . . . . 106 SER CA . 52002 1
165 . 1 . 1 106 106 SER N N 15 109.279 0.00 . 1 . . . . . 106 SER N . 52002 1
166 . 1 . 1 107 107 GLU H H 1 8.444 0.00 . 1 . . . . . 107 GLU H . 52002 1
167 . 1 . 1 107 107 GLU CA C 13 56.730 0.00 . 1 . . . . . 107 GLU CA . 52002 1
168 . 1 . 1 107 107 GLU N N 15 121.544 0.00 . 1 . . . . . 107 GLU N . 52002 1
169 . 1 . 1 108 108 ASP H H 1 8.301 0.00 . 1 . . . . . 108 ASP H . 52002 1
170 . 1 . 1 108 108 ASP CA C 13 53.256 0.00 . 1 . . . . . 108 ASP CA . 52002 1
171 . 1 . 1 108 108 ASP N N 15 119.789 0.01 . 1 . . . . . 108 ASP N . 52002 1
172 . 1 . 1 109 109 VAL H H 1 7.473 0.00 . 1 . . . . . 109 VAL H . 52002 1
173 . 1 . 1 109 109 VAL N N 15 120.707 0.01 . 1 . . . . . 109 VAL N . 52002 1
174 . 1 . 1 110 110 PRO CA C 13 63.843 0.00 . 1 . . . . . 110 PRO CA . 52002 1
175 . 1 . 1 111 111 MET H H 1 8.184 0.00 . 1 . . . . . 111 MET H . 52002 1
176 . 1 . 1 111 111 MET CA C 13 55.109 0.00 . 1 . . . . . 111 MET CA . 52002 1
177 . 1 . 1 111 111 MET N N 15 122.327 0.01 . 1 . . . . . 111 MET N . 52002 1
178 . 1 . 1 112 112 VAL H H 1 8.130 0.00 . 1 . . . . . 112 VAL H . 52002 1
179 . 1 . 1 112 112 VAL CA C 13 61.187 0.00 . 1 . . . . . 112 VAL CA . 52002 1
180 . 1 . 1 112 112 VAL N N 15 118.862 0.01 . 1 . . . . . 112 VAL N . 52002 1
181 . 1 . 1 113 113 LEU H H 1 8.959 0.00 . 1 . . . . . 113 LEU H . 52002 1
182 . 1 . 1 113 113 LEU CA C 13 53.913 0.00 . 1 . . . . . 113 LEU CA . 52002 1
183 . 1 . 1 113 113 LEU N N 15 129.070 0.01 . 1 . . . . . 113 LEU N . 52002 1
184 . 1 . 1 114 114 VAL H H 1 9.277 0.00 . 1 . . . . . 114 VAL H . 52002 1
185 . 1 . 1 114 114 VAL CA C 13 60.076 0.00 . 1 . . . . . 114 VAL CA . 52002 1
186 . 1 . 1 114 114 VAL N N 15 128.144 0.01 . 1 . . . . . 114 VAL N . 52002 1
187 . 1 . 1 115 115 GLY H H 1 8.373 0.00 . 1 . . . . . 115 GLY H . 52002 1
188 . 1 . 1 115 115 GLY CA C 13 45.617 0.00 . 1 . . . . . 115 GLY CA . 52002 1
189 . 1 . 1 115 115 GLY N N 15 113.409 0.01 . 1 . . . . . 115 GLY N . 52002 1
190 . 1 . 1 116 116 ASN H H 1 8.861 0.00 . 1 . . . . . 116 ASN H . 52002 1
191 . 1 . 1 116 116 ASN CA C 13 51.519 0.00 . 1 . . . . . 116 ASN CA . 52002 1
192 . 1 . 1 116 116 ASN N N 15 121.411 0.00 . 1 . . . . . 116 ASN N . 52002 1
193 . 1 . 1 117 117 LYS H H 1 7.284 0.00 . 1 . . . . . 117 LYS H . 52002 1
194 . 1 . 1 117 117 LYS CA C 13 57.332 0.00 . 1 . . . . . 117 LYS CA . 52002 1
195 . 1 . 1 117 117 LYS N N 15 111.678 0.01 . 1 . . . . . 117 LYS N . 52002 1
196 . 1 . 1 118 118 CYS H H 1 8.671 0.00 . 1 . . . . . 118 CYS H . 52002 1
197 . 1 . 1 118 118 CYS CA C 13 60.630 0.00 . 1 . . . . . 118 CYS CA . 52002 1
198 . 1 . 1 118 118 CYS N N 15 114.056 0.02 . 1 . . . . . 118 CYS N . 52002 1
199 . 1 . 1 119 119 ASP H H 1 8.585 0.00 . 1 . . . . . 119 ASP H . 52002 1
200 . 1 . 1 119 119 ASP CA C 13 54.005 0.00 . 1 . . . . . 119 ASP CA . 52002 1
201 . 1 . 1 119 119 ASP N N 15 117.441 0.02 . 1 . . . . . 119 ASP N . 52002 1
202 . 1 . 1 120 120 LEU H H 1 7.772 0.00 . 1 . . . . . 120 LEU H . 52002 1
203 . 1 . 1 120 120 LEU N N 15 121.402 0.00 . 1 . . . . . 120 LEU N . 52002 1
204 . 1 . 1 121 121 PRO CA C 13 63.397 0.00 . 1 . . . . . 121 PRO CA . 52002 1
205 . 1 . 1 122 122 SER H H 1 7.227 0.00 . 1 . . . . . 122 SER H . 52002 1
206 . 1 . 1 122 122 SER CA C 13 56.356 0.00 . 1 . . . . . 122 SER CA . 52002 1
207 . 1 . 1 122 122 SER N N 15 113.326 0.01 . 1 . . . . . 122 SER N . 52002 1
208 . 1 . 1 123 123 ARG H H 1 7.783 0.00 . 1 . . . . . 123 ARG H . 52002 1
209 . 1 . 1 123 123 ARG CA C 13 55.981 0.00 . 1 . . . . . 123 ARG CA . 52002 1
210 . 1 . 1 123 123 ARG N N 15 119.981 0.01 . 1 . . . . . 123 ARG N . 52002 1
211 . 1 . 1 124 124 THR H H 1 9.091 0.00 . 1 . . . . . 124 THR H . 52002 1
212 . 1 . 1 124 124 THR CA C 13 61.778 0.00 . 1 . . . . . 124 THR CA . 52002 1
213 . 1 . 1 124 124 THR N N 15 114.198 0.00 . 1 . . . . . 124 THR N . 52002 1
214 . 1 . 1 125 125 VAL H H 1 7.540 0.00 . 1 . . . . . 125 VAL H . 52002 1
215 . 1 . 1 125 125 VAL CA C 13 61.404 0.00 . 1 . . . . . 125 VAL CA . 52002 1
216 . 1 . 1 125 125 VAL N N 15 124.207 0.01 . 1 . . . . . 125 VAL N . 52002 1
217 . 1 . 1 126 126 ASP H H 1 8.625 0.00 . 1 . . . . . 126 ASP H . 52002 1
218 . 1 . 1 126 126 ASP CA C 13 54.364 0.00 . 1 . . . . . 126 ASP CA . 52002 1
219 . 1 . 1 126 126 ASP N N 15 128.630 0.00 . 1 . . . . . 126 ASP N . 52002 1
220 . 1 . 1 127 127 THR H H 1 8.750 0.00 . 1 . . . . . 127 THR H . 52002 1
221 . 1 . 1 127 127 THR CA C 13 67.395 0.00 . 1 . . . . . 127 THR CA . 52002 1
222 . 1 . 1 127 127 THR N N 15 121.986 0.01 . 1 . . . . . 127 THR N . 52002 1
223 . 1 . 1 128 128 LYS H H 1 8.413 0.00 . 1 . . . . . 128 LYS H . 52002 1
224 . 1 . 1 128 128 LYS CA C 13 59.480 0.00 . 1 . . . . . 128 LYS CA . 52002 1
225 . 1 . 1 128 128 LYS N N 15 120.139 0.01 . 1 . . . . . 128 LYS N . 52002 1
226 . 1 . 1 129 129 GLN H H 1 7.245 0.00 . 1 . . . . . 129 GLN H . 52002 1
227 . 1 . 1 129 129 GLN CA C 13 58.603 0.00 . 1 . . . . . 129 GLN CA . 52002 1
228 . 1 . 1 129 129 GLN N N 15 117.382 0.01 . 1 . . . . . 129 GLN N . 52002 1
229 . 1 . 1 130 130 ALA H H 1 7.057 0.00 . 1 . . . . . 130 ALA H . 52002 1
230 . 1 . 1 130 130 ALA CA C 13 54.840 0.00 . 1 . . . . . 130 ALA CA . 52002 1
231 . 1 . 1 130 130 ALA N N 15 122.505 0.01 . 1 . . . . . 130 ALA N . 52002 1
232 . 1 . 1 131 131 GLN H H 1 8.451 0.00 . 1 . . . . . 131 GLN H . 52002 1
233 . 1 . 1 131 131 GLN CA C 13 58.936 0.00 . 1 . . . . . 131 GLN CA . 52002 1
234 . 1 . 1 131 131 GLN N N 15 118.120 0.01 . 1 . . . . . 131 GLN N . 52002 1
235 . 1 . 1 132 132 ASP H H 1 8.491 0.00 . 1 . . . . . 132 ASP H . 52002 1
236 . 1 . 1 132 132 ASP CA C 13 57.255 0.00 . 1 . . . . . 132 ASP CA . 52002 1
237 . 1 . 1 132 132 ASP N N 15 120.376 0.00 . 1 . . . . . 132 ASP N . 52002 1
238 . 1 . 1 133 133 LEU H H 1 7.498 0.00 . 1 . . . . . 133 LEU H . 52002 1
239 . 1 . 1 133 133 LEU CA C 13 57.828 0.00 . 1 . . . . . 133 LEU CA . 52002 1
240 . 1 . 1 133 133 LEU N N 15 123.546 0.01 . 1 . . . . . 133 LEU N . 52002 1
241 . 1 . 1 134 134 ALA H H 1 8.244 0.00 . 1 . . . . . 134 ALA H . 52002 1
242 . 1 . 1 134 134 ALA CA C 13 55.841 0.00 . 1 . . . . . 134 ALA CA . 52002 1
243 . 1 . 1 134 134 ALA N N 15 121.429 0.00 . 1 . . . . . 134 ALA N . 52002 1
244 . 1 . 1 135 135 ARG H H 1 8.436 0.00 . 1 . . . . . 135 ARG H . 52002 1
245 . 1 . 1 135 135 ARG CA C 13 59.367 0.00 . 1 . . . . . 135 ARG CA . 52002 1
246 . 1 . 1 135 135 ARG N N 15 118.233 0.01 . 1 . . . . . 135 ARG N . 52002 1
247 . 1 . 1 136 136 SER H H 1 7.915 0.00 . 1 . . . . . 136 SER H . 52002 1
248 . 1 . 1 136 136 SER CA C 13 61.535 0.00 . 1 . . . . . 136 SER CA . 52002 1
249 . 1 . 1 136 136 SER N N 15 117.625 0.01 . 1 . . . . . 136 SER N . 52002 1
250 . 1 . 1 137 137 TYR H H 1 7.642 0.00 . 1 . . . . . 137 TYR H . 52002 1
251 . 1 . 1 137 137 TYR CA C 13 54.843 0.00 . 1 . . . . . 137 TYR CA . 52002 1
252 . 1 . 1 137 137 TYR N N 15 119.854 0.00 . 1 . . . . . 137 TYR N . 52002 1
253 . 1 . 1 138 138 GLY H H 1 8.297 0.00 . 1 . . . . . 138 GLY H . 52002 1
254 . 1 . 1 138 138 GLY CA C 13 46.489 0.00 . 1 . . . . . 138 GLY CA . 52002 1
255 . 1 . 1 138 138 GLY N N 15 110.814 0.01 . 1 . . . . . 138 GLY N . 52002 1
256 . 1 . 1 139 139 ILE H H 1 7.989 0.00 . 1 . . . . . 139 ILE H . 52002 1
257 . 1 . 1 139 139 ILE N N 15 112.603 0.01 . 1 . . . . . 139 ILE N . 52002 1
258 . 1 . 1 140 140 PRO CA C 13 62.429 0.00 . 1 . . . . . 140 PRO CA . 52002 1
259 . 1 . 1 141 141 PHE H H 1 8.288 0.00 . 1 . . . . . 141 PHE H . 52002 1
260 . 1 . 1 141 141 PHE CA C 13 54.677 0.00 . 1 . . . . . 141 PHE CA . 52002 1
261 . 1 . 1 141 141 PHE N N 15 120.224 0.00 . 1 . . . . . 141 PHE N . 52002 1
262 . 1 . 1 142 142 ILE H H 1 8.432 0.00 . 1 . . . . . 142 ILE H . 52002 1
263 . 1 . 1 142 142 ILE CA C 13 59.604 0.00 . 1 . . . . . 142 ILE CA . 52002 1
264 . 1 . 1 142 142 ILE N N 15 130.291 0.01 . 1 . . . . . 142 ILE N . 52002 1
265 . 1 . 1 143 143 GLU H H 1 7.948 0.00 . 1 . . . . . 143 GLU H . 52002 1
266 . 1 . 1 143 143 GLU CA C 13 55.270 0.00 . 1 . . . . . 143 GLU CA . 52002 1
267 . 1 . 1 143 143 GLU N N 15 125.628 0.01 . 1 . . . . . 143 GLU N . 52002 1
268 . 1 . 1 144 144 THR H H 1 8.670 0.00 . 1 . . . . . 144 THR H . 52002 1
269 . 1 . 1 144 144 THR CA C 13 59.836 0.00 . 1 . . . . . 144 THR CA . 52002 1
270 . 1 . 1 144 144 THR N N 15 112.447 0.02 . 1 . . . . . 144 THR N . 52002 1
271 . 1 . 1 145 145 SER H H 1 8.173 0.00 . 1 . . . . . 145 SER H . 52002 1
272 . 1 . 1 145 145 SER CA C 13 57.750 0.00 . 1 . . . . . 145 SER CA . 52002 1
273 . 1 . 1 145 145 SER N N 15 111.394 0.00 . 1 . . . . . 145 SER N . 52002 1
274 . 1 . 1 146 146 ALA H H 1 9.130 0.00 . 1 . . . . . 146 ALA H . 52002 1
275 . 1 . 1 146 146 ALA CA C 13 54.646 0.00 . 1 . . . . . 146 ALA CA . 52002 1
276 . 1 . 1 146 146 ALA N N 15 132.352 0.01 . 1 . . . . . 146 ALA N . 52002 1
277 . 1 . 1 147 147 LYS H H 1 7.007 0.00 . 1 . . . . . 147 LYS H . 52002 1
278 . 1 . 1 147 147 LYS CA C 13 58.304 0.00 . 1 . . . . . 147 LYS CA . 52002 1
279 . 1 . 1 147 147 LYS N N 15 116.805 0.01 . 1 . . . . . 147 LYS N . 52002 1
280 . 1 . 1 148 148 THR H H 1 7.663 0.00 . 1 . . . . . 148 THR H . 52002 1
281 . 1 . 1 148 148 THR CA C 13 60.861 0.00 . 1 . . . . . 148 THR CA . 52002 1
282 . 1 . 1 148 148 THR N N 15 105.885 0.01 . 1 . . . . . 148 THR N . 52002 1
283 . 1 . 1 149 149 ARG H H 1 7.434 0.00 . 1 . . . . . 149 ARG H . 52002 1
284 . 1 . 1 149 149 ARG CA C 13 58.612 0.00 . 1 . . . . . 149 ARG CA . 52002 1
285 . 1 . 1 149 149 ARG N N 15 120.587 0.04 . 1 . . . . . 149 ARG N . 52002 1
286 . 1 . 1 150 150 GLN H H 1 7.946 0.00 . 1 . . . . . 150 GLN H . 52002 1
287 . 1 . 1 150 150 GLN CA C 13 57.168 0.00 . 1 . . . . . 150 GLN CA . 52002 1
288 . 1 . 1 150 150 GLN N N 15 122.612 0.01 . 1 . . . . . 150 GLN N . 52002 1
289 . 1 . 1 151 151 ARG H H 1 9.120 0.00 . 1 . . . . . 151 ARG H . 52002 1
290 . 1 . 1 151 151 ARG CA C 13 58.396 0.00 . 1 . . . . . 151 ARG CA . 52002 1
291 . 1 . 1 151 151 ARG N N 15 119.327 0.01 . 1 . . . . . 151 ARG N . 52002 1
292 . 1 . 1 152 152 VAL H H 1 7.348 0.00 . 1 . . . . . 152 VAL H . 52002 1
293 . 1 . 1 152 152 VAL CA C 13 67.834 0.00 . 1 . . . . . 152 VAL CA . 52002 1
294 . 1 . 1 152 152 VAL N N 15 119.683 0.01 . 1 . . . . . 152 VAL N . 52002 1
295 . 1 . 1 153 153 GLU H H 1 8.186 0.00 . 1 . . . . . 153 GLU H . 52002 1
296 . 1 . 1 153 153 GLU CA C 13 60.597 0.00 . 1 . . . . . 153 GLU CA . 52002 1
297 . 1 . 1 153 153 GLU N N 15 117.147 0.01 . 1 . . . . . 153 GLU N . 52002 1
298 . 1 . 1 154 154 ASP H H 1 7.809 0.00 . 1 . . . . . 154 ASP H . 52002 1
299 . 1 . 1 154 154 ASP CA C 13 57.097 0.00 . 1 . . . . . 154 ASP CA . 52002 1
300 . 1 . 1 154 154 ASP N N 15 114.888 0.01 . 1 . . . . . 154 ASP N . 52002 1
301 . 1 . 1 155 155 ALA H H 1 8.037 0.00 . 1 . . . . . 155 ALA H . 52002 1
302 . 1 . 1 155 155 ALA CA C 13 56.331 0.00 . 1 . . . . . 155 ALA CA . 52002 1
303 . 1 . 1 155 155 ALA N N 15 123.464 0.00 . 1 . . . . . 155 ALA N . 52002 1
304 . 1 . 1 156 156 PHE H H 1 7.131 0.00 . 1 . . . . . 156 PHE H . 52002 1
305 . 1 . 1 156 156 PHE CA C 13 62.915 0.00 . 1 . . . . . 156 PHE CA . 52002 1
306 . 1 . 1 156 156 PHE N N 15 112.812 0.01 . 1 . . . . . 156 PHE N . 52002 1
307 . 1 . 1 157 157 TYR H H 1 9.614 0.00 . 1 . . . . . 157 TYR H . 52002 1
308 . 1 . 1 157 157 TYR CA C 13 58.163 0.00 . 1 . . . . . 157 TYR CA . 52002 1
309 . 1 . 1 157 157 TYR N N 15 119.405 0.01 . 1 . . . . . 157 TYR N . 52002 1
310 . 1 . 1 158 158 THR H H 1 8.404 0.00 . 1 . . . . . 158 THR H . 52002 1
311 . 1 . 1 158 158 THR CA C 13 67.955 0.00 . 1 . . . . . 158 THR CA . 52002 1
312 . 1 . 1 158 158 THR N N 15 117.093 0.01 . 1 . . . . . 158 THR N . 52002 1
313 . 1 . 1 159 159 LEU H H 1 7.142 0.00 . 1 . . . . . 159 LEU H . 52002 1
314 . 1 . 1 159 159 LEU CA C 13 58.019 0.00 . 1 . . . . . 159 LEU CA . 52002 1
315 . 1 . 1 159 159 LEU N N 15 121.715 0.02 . 1 . . . . . 159 LEU N . 52002 1
316 . 1 . 1 160 160 VAL H H 1 7.681 0.00 . 1 . . . . . 160 VAL H . 52002 1
317 . 1 . 1 160 160 VAL CA C 13 67.650 0.00 . 1 . . . . . 160 VAL CA . 52002 1
318 . 1 . 1 160 160 VAL N N 15 119.614 0.00 . 1 . . . . . 160 VAL N . 52002 1
319 . 1 . 1 161 161 ARG H H 1 8.014 0.00 . 1 . . . . . 161 ARG H . 52002 1
320 . 1 . 1 161 161 ARG CA C 13 60.911 0.00 . 1 . . . . . 161 ARG CA . 52002 1
321 . 1 . 1 161 161 ARG N N 15 118.329 0.00 . 1 . . . . . 161 ARG N . 52002 1
322 . 1 . 1 162 162 GLU H H 1 8.171 0.00 . 1 . . . . . 162 GLU H . 52002 1
323 . 1 . 1 162 162 GLU CA C 13 59.021 0.00 . 1 . . . . . 162 GLU CA . 52002 1
324 . 1 . 1 162 162 GLU N N 15 119.400 0.01 . 1 . . . . . 162 GLU N . 52002 1
325 . 1 . 1 163 163 ILE H H 1 8.345 0.00 . 1 . . . . . 163 ILE H . 52002 1
326 . 1 . 1 163 163 ILE CA C 13 66.189 0.00 . 1 . . . . . 163 ILE CA . 52002 1
327 . 1 . 1 163 163 ILE N N 15 121.980 0.01 . 1 . . . . . 163 ILE N . 52002 1
328 . 1 . 1 164 164 ARG H H 1 8.887 0.00 . 1 . . . . . 164 ARG H . 52002 1
329 . 1 . 1 164 164 ARG CA C 13 60.328 0.00 . 1 . . . . . 164 ARG CA . 52002 1
330 . 1 . 1 164 164 ARG N N 15 119.669 0.01 . 1 . . . . . 164 ARG N . 52002 1
331 . 1 . 1 165 165 GLN H H 1 7.829 0.00 . 1 . . . . . 165 GLN H . 52002 1
332 . 1 . 1 165 165 GLN CA C 13 58.352 0.00 . 1 . . . . . 165 GLN CA . 52002 1
333 . 1 . 1 165 165 GLN N N 15 115.686 0.01 . 1 . . . . . 165 GLN N . 52002 1
334 . 1 . 1 166 166 TYR H H 1 8.147 0.00 . 1 . . . . . 166 TYR H . 52002 1
335 . 1 . 1 166 166 TYR CA C 13 61.400 0.00 . 1 . . . . . 166 TYR CA . 52002 1
336 . 1 . 1 166 166 TYR N N 15 122.330 0.01 . 1 . . . . . 166 TYR N . 52002 1
337 . 1 . 1 167 167 ARG H H 1 8.218 0.00 . 1 . . . . . 167 ARG H . 52002 1
338 . 1 . 1 167 167 ARG CA C 13 58.351 0.00 . 1 . . . . . 167 ARG CA . 52002 1
339 . 1 . 1 167 167 ARG N N 15 117.480 0.01 . 1 . . . . . 167 ARG N . 52002 1
340 . 1 . 1 168 168 LEU H H 1 7.377 0.00 . 1 . . . . . 168 LEU H . 52002 1
341 . 1 . 1 168 168 LEU CA C 13 55.039 0.00 . 1 . . . . . 168 LEU CA . 52002 1
342 . 1 . 1 168 168 LEU N N 15 118.829 0.00 . 1 . . . . . 168 LEU N . 52002 1
343 . 1 . 1 169 169 LYS H H 1 7.312 0.00 . 1 . . . . . 169 LYS H . 52002 1
344 . 1 . 1 169 169 LYS N N 15 125.882 0.01 . 1 . . . . . 169 LYS N . 52002 1
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