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 53300
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name assigned_chemical_shifts_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
2 '2D 1H-15N HSQC' . . . 53300 1
3 '3D HNCO' . . . 53300 1
4 '3D HNCACO' . . . 53300 1
5 '3D HNCA' . . . 53300 1
6 '3D CBCACONH' . . . 53300 1
7 '3D HACACONH' . . . 53300 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 . . 53300 1
2 $software_2 . . 53300 1
3 $software_3 . . 53300 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 2 2 PRO HA H 1 4.419 0.02 . 1 . . . . . 2 P HA . 53300 1
2 . 1 . 1 2 2 PRO C C 13 176.536 0.2 . 1 . . . . . 2 P C . 53300 1
3 . 1 . 1 2 2 PRO CA C 13 63.072 0.2 . 1 . . . . . 2 P CA . 53300 1
4 . 1 . 1 2 2 PRO CB C 13 32.586 0.2 . 1 . . . . . 2 P CB . 53300 1
5 . 1 . 1 3 3 VAL H H 1 8.453 0.02 . 1 . . . . . 3 V H . 53300 1
6 . 1 . 1 3 3 VAL HA H 1 4.206 0.02 . 1 . . . . . 3 V HA . 53300 1
7 . 1 . 1 3 3 VAL C C 13 175.383 0.2 . 1 . . . . . 3 V C . 53300 1
8 . 1 . 1 3 3 VAL CA C 13 61.843 0.2 . 1 . . . . . 3 V CA . 53300 1
9 . 1 . 1 3 3 VAL CB C 13 33.483 0.2 . 1 . . . . . 3 V CB . 53300 1
10 . 1 . 1 3 3 VAL N N 15 121.572 0.2 . 1 . . . . . 3 V N . 53300 1
11 . 1 . 1 4 4 LYS H H 1 8.391 0.02 . 1 . . . . . 4 K H . 53300 1
12 . 1 . 1 4 4 LYS HA H 1 4.818 0.02 . 1 . . . . . 4 K HA . 53300 1
13 . 1 . 1 4 4 LYS C C 13 175.906 0.2 . 1 . . . . . 4 K C . 53300 1
14 . 1 . 1 4 4 LYS CA C 13 54.525 0.2 . 1 . . . . . 4 K CA . 53300 1
15 . 1 . 1 4 4 LYS CB C 13 34.118 0.2 . 1 . . . . . 4 K CB . 53300 1
16 . 1 . 1 4 4 LYS N N 15 123.675 0.2 . 1 . . . . . 4 K N . 53300 1
17 . 1 . 1 5 5 VAL H H 1 8.825 0.02 . 1 . . . . . 5 V H . 53300 1
18 . 1 . 1 5 5 VAL HA H 1 4.112 0.02 . 1 . . . . . 5 V HA . 53300 1
19 . 1 . 1 5 5 VAL C C 13 174.234 0.2 . 1 . . . . . 5 V C . 53300 1
20 . 1 . 1 5 5 VAL CA C 13 61.161 0.2 . 1 . . . . . 5 V CA . 53300 1
21 . 1 . 1 5 5 VAL CB C 13 33.008 0.2 . 1 . . . . . 5 V CB . 53300 1
22 . 1 . 1 5 5 VAL N N 15 122.134 0.2 . 1 . . . . . 5 V N . 53300 1
23 . 1 . 1 6 6 LYS H H 1 8.486 0.02 . 1 . . . . . 6 K H . 53300 1
24 . 1 . 1 6 6 LYS HA H 1 5.271 0.02 . 1 . . . . . 6 K HA . 53300 1
25 . 1 . 1 6 6 LYS C C 13 175.812 0.2 . 1 . . . . . 6 K C . 53300 1
26 . 1 . 1 6 6 LYS CA C 13 55.317 0.2 . 1 . . . . . 6 K CA . 53300 1
27 . 1 . 1 6 6 LYS CB C 13 33.829 0.2 . 1 . . . . . 6 K CB . 53300 1
28 . 1 . 1 6 6 LYS N N 15 127.945 0.2 . 1 . . . . . 6 K N . 53300 1
29 . 1 . 1 7 7 PHE H H 1 8.738 0.02 . 1 . . . . . 7 F H . 53300 1
30 . 1 . 1 7 7 PHE HA H 1 5.047 0.02 . 1 . . . . . 7 F HA . 53300 1
31 . 1 . 1 7 7 PHE C C 13 171.923 0.2 . 1 . . . . . 7 F C . 53300 1
32 . 1 . 1 7 7 PHE CA C 13 55.653 0.2 . 1 . . . . . 7 F CA . 53300 1
33 . 1 . 1 7 7 PHE CB C 13 40.102 0.2 . 1 . . . . . 7 F CB . 53300 1
34 . 1 . 1 7 7 PHE N N 15 120.554 0.2 . 1 . . . . . 7 F N . 53300 1
35 . 1 . 1 8 8 LYS H H 1 8.75 0.02 . 1 . . . . . 8 K H . 53300 1
36 . 1 . 1 8 8 LYS C C 13 176.294 0.2 . 1 . . . . . 8 K C . 53300 1
37 . 1 . 1 8 8 LYS CA C 13 54.845 0.2 . 1 . . . . . 8 K CA . 53300 1
38 . 1 . 1 8 8 LYS CB C 13 34.729 0.2 . 1 . . . . . 8 K CB . 53300 1
39 . 1 . 1 8 8 LYS N N 15 119.622 0.2 . 1 . . . . . 8 K N . 53300 1
40 . 1 . 1 9 9 TYR H H 1 8.967 0.02 . 1 . . . . . 9 Y H . 53300 1
41 . 1 . 1 9 9 TYR HA H 1 4.891 0.02 . 1 . . . . . 9 Y HA . 53300 1
42 . 1 . 1 9 9 TYR C C 13 174.571 0.2 . 1 . . . . . 9 Y C . 53300 1
43 . 1 . 1 9 9 TYR CA C 13 57.744 0.2 . 1 . . . . . 9 Y CA . 53300 1
44 . 1 . 1 9 9 TYR CB C 13 41.376 0.2 . 1 . . . . . 9 Y CB . 53300 1
45 . 1 . 1 9 9 TYR N N 15 124.873 0.2 . 1 . . . . . 9 Y N . 53300 1
46 . 1 . 1 10 10 LYS H H 1 9.202 0.02 . 1 . . . . . 10 K H . 53300 1
47 . 1 . 1 10 10 LYS HA H 1 3.64 0.02 . 1 . . . . . 10 K HA . 53300 1
48 . 1 . 1 10 10 LYS C C 13 176.407 0.2 . 1 . . . . . 10 K C . 53300 1
49 . 1 . 1 10 10 LYS CA C 13 57.442 0.2 . 1 . . . . . 10 K CA . 53300 1
50 . 1 . 1 10 10 LYS CB C 13 29.98 0.2 . 1 . . . . . 10 K CB . 53300 1
51 . 1 . 1 10 10 LYS N N 15 128.313 0.2 . 1 . . . . . 10 K N . 53300 1
52 . 1 . 1 11 11 GLY H H 1 8.482 0.02 . 1 . . . . . 11 G H . 53300 1
53 . 1 . 1 11 11 GLY HA2 H 1 3.581 0.02 . 2 . . . . . 11 G HA2 . 53300 1
54 . 1 . 1 11 11 GLY HA3 H 1 4.161 0.02 . 2 . . . . . 11 G HA3 . 53300 1
55 . 1 . 1 11 11 GLY C C 13 173.547 0.2 . 1 . . . . . 11 G C . 53300 1
56 . 1 . 1 11 11 GLY CA C 13 45.27 0.2 . 1 . . . . . 11 G CA . 53300 1
57 . 1 . 1 11 11 GLY N N 15 103.931 0.2 . 1 . . . . . 11 G N . 53300 1
58 . 1 . 1 12 12 GLU H H 1 7.845 0.02 . 1 . . . . . 12 E H . 53300 1
59 . 1 . 1 12 12 GLU HA H 1 4.611 0.02 . 1 . . . . . 12 E HA . 53300 1
60 . 1 . 1 12 12 GLU C C 13 175.178 0.2 . 1 . . . . . 12 E C . 53300 1
61 . 1 . 1 12 12 GLU CA C 13 54.502 0.2 . 1 . . . . . 12 E CA . 53300 1
62 . 1 . 1 12 12 GLU CB C 13 32.49 0.2 . 1 . . . . . 12 E CB . 53300 1
63 . 1 . 1 12 12 GLU N N 15 120.804 0.2 . 1 . . . . . 12 E N . 53300 1
64 . 1 . 1 13 13 GLU H H 1 8.697 0.02 . 1 . . . . . 13 E H . 53300 1
65 . 1 . 1 13 13 GLU HA H 1 4.39 0.02 . 1 . . . . . 13 E HA . 53300 1
66 . 1 . 1 13 13 GLU C C 13 175.361 0.2 . 1 . . . . . 13 E C . 53300 1
67 . 1 . 1 13 13 GLU CA C 13 56.932 0.2 . 1 . . . . . 13 E CA . 53300 1
68 . 1 . 1 13 13 GLU CB C 13 30.309 0.2 . 1 . . . . . 13 E CB . 53300 1
69 . 1 . 1 13 13 GLU N N 15 123.551 0.2 . 1 . . . . . 13 E N . 53300 1
70 . 1 . 1 14 14 LYS H H 1 8.755 0.02 . 1 . . . . . 14 K H . 53300 1
71 . 1 . 1 14 14 LYS HA H 1 4.392 0.02 . 1 . . . . . 14 K HA . 53300 1
72 . 1 . 1 14 14 LYS C C 13 173.961 0.2 . 1 . . . . . 14 K C . 53300 1
73 . 1 . 1 14 14 LYS CA C 13 54.119 0.2 . 1 . . . . . 14 K CA . 53300 1
74 . 1 . 1 14 14 LYS CB C 13 35.829 0.2 . 1 . . . . . 14 K CB . 53300 1
75 . 1 . 1 14 14 LYS N N 15 126.524 0.2 . 1 . . . . . 14 K N . 53300 1
76 . 1 . 1 15 15 GLU H H 1 7.935 0.02 . 1 . . . . . 15 E H . 53300 1
77 . 1 . 1 15 15 GLU HA H 1 5.454 0.02 . 1 . . . . . 15 E HA . 53300 1
78 . 1 . 1 15 15 GLU C C 13 175.709 0.2 . 1 . . . . . 15 E C . 53300 1
79 . 1 . 1 15 15 GLU CA C 13 54.418 0.2 . 1 . . . . . 15 E CA . 53300 1
80 . 1 . 1 15 15 GLU CB C 13 33.705 0.2 . 1 . . . . . 15 E CB . 53300 1
81 . 1 . 1 15 15 GLU N N 15 117.346 0.2 . 1 . . . . . 15 E N . 53300 1
82 . 1 . 1 16 16 VAL H H 1 8.551 0.02 . 1 . . . . . 16 V H . 53300 1
83 . 1 . 1 16 16 VAL HA H 1 4.292 0.02 . 1 . . . . . 16 V HA . 53300 1
84 . 1 . 1 16 16 VAL C C 13 173.203 0.2 . 1 . . . . . 16 V C . 53300 1
85 . 1 . 1 16 16 VAL CA C 13 60.001 0.2 . 1 . . . . . 16 V CA . 53300 1
86 . 1 . 1 16 16 VAL CB C 13 35.755 0.2 . 1 . . . . . 16 V CB . 53300 1
87 . 1 . 1 16 16 VAL N N 15 121.197 0.2 . 1 . . . . . 16 V N . 53300 1
88 . 1 . 1 17 17 ASP H H 1 8.434 0.02 . 1 . . . . . 17 D H . 53300 1
89 . 1 . 1 17 17 ASP HA H 1 4.824 0.02 . 1 . . . . . 17 D HA . 53300 1
90 . 1 . 1 17 17 ASP C C 13 178.059 0.2 . 1 . . . . . 17 D C . 53300 1
91 . 1 . 1 17 17 ASP CA C 13 54.054 0.2 . 1 . . . . . 17 D CA . 53300 1
92 . 1 . 1 17 17 ASP CB C 13 42.84 0.2 . 1 . . . . . 17 D CB . 53300 1
93 . 1 . 1 17 17 ASP N N 15 127.334 0.2 . 1 . . . . . 17 D N . 53300 1
94 . 1 . 1 18 18 THR H H 1 8.896 0.02 . 1 . . . . . 18 T H . 53300 1
95 . 1 . 1 18 18 THR HA H 1 3.645 0.02 . 1 . . . . . 18 T HA . 53300 1
96 . 1 . 1 18 18 THR C C 13 176.81 0.2 . 1 . . . . . 18 T C . 53300 1
97 . 1 . 1 18 18 THR CA C 13 65.533 0.2 . 1 . . . . . 18 T CA . 53300 1
98 . 1 . 1 18 18 THR CB C 13 67.957 0.2 . 1 . . . . . 18 T CB . 53300 1
99 . 1 . 1 18 18 THR N N 15 116.349 0.2 . 1 . . . . . 18 T N . 53300 1
100 . 1 . 1 19 19 SER H H 1 8.754 0.02 . 1 . . . . . 19 S H . 53300 1
101 . 1 . 1 19 19 SER HA H 1 4.319 0.02 . 1 . . . . . 19 S HA . 53300 1
102 . 1 . 1 19 19 SER C C 13 175.516 0.2 . 1 . . . . . 19 S C . 53300 1
103 . 1 . 1 19 19 SER CA C 13 60.818 0.2 . 1 . . . . . 19 S CA . 53300 1
104 . 1 . 1 19 19 SER CB C 13 63.009 0.2 . 1 . . . . . 19 S CB . 53300 1
105 . 1 . 1 19 19 SER N N 15 117.014 0.2 . 1 . . . . . 19 S N . 53300 1
106 . 1 . 1 20 20 LYS H H 1 7.848 0.02 . 1 . . . . . 20 K H . 53300 1
107 . 1 . 1 20 20 LYS HA H 1 4.53 0.02 . 1 . . . . . 20 K HA . 53300 1
108 . 1 . 1 20 20 LYS C C 13 176.201 0.2 . 1 . . . . . 20 K C . 53300 1
109 . 1 . 1 20 20 LYS CA C 13 54.92 0.2 . 1 . . . . . 20 K CA . 53300 1
110 . 1 . 1 20 20 LYS CB C 13 32.071 0.2 . 1 . . . . . 20 K CB . 53300 1
111 . 1 . 1 20 20 LYS N N 15 119.753 0.2 . 1 . . . . . 20 K N . 53300 1
112 . 1 . 1 21 21 ILE H H 1 7.211 0.02 . 1 . . . . . 21 I H . 53300 1
113 . 1 . 1 21 21 ILE C C 13 176.714 0.2 . 1 . . . . . 21 I C . 53300 1
114 . 1 . 1 21 21 ILE CA C 13 62.333 0.2 . 1 . . . . . 21 I CA . 53300 1
115 . 1 . 1 21 21 ILE N N 15 120.307 0.2 . 1 . . . . . 21 I N . 53300 1
116 . 1 . 1 22 22 THR H H 1 9.11 0.02 . 1 . . . . . 22 T H . 53300 1
117 . 1 . 1 22 22 THR C C 13 175.195 0.2 . 1 . . . . . 22 T C . 53300 1
118 . 1 . 1 22 22 THR CA C 13 62.16 0.2 . 1 . . . . . 22 T CA . 53300 1
119 . 1 . 1 22 22 THR N N 15 119.077 0.2 . 1 . . . . . 22 T N . 53300 1
120 . 1 . 1 23 23 HIS H H 1 7.61 0.02 . 1 . . . . . 23 H H . 53300 1
121 . 1 . 1 23 23 HIS CA C 13 57.529 0.2 . 1 . . . . . 23 H CA . 53300 1
122 . 1 . 1 23 23 HIS N N 15 121.021 0.2 . 1 . . . . . 23 H N . 53300 1
123 . 1 . 1 25 25 PHE C C 13 171.29 0.2 . 1 . . . . . 25 F C . 53300 1
124 . 1 . 1 25 25 PHE CA C 13 56.704 0.2 . 1 . . . . . 25 F CA . 53300 1
125 . 1 . 1 26 26 ARG H H 1 8.936 0.02 . 1 . . . . . 26 R H . 53300 1
126 . 1 . 1 26 26 ARG CA C 13 55.149 0.2 . 1 . . . . . 26 R CA . 53300 1
127 . 1 . 1 26 26 ARG N N 15 121.143 0.2 . 1 . . . . . 26 R N . 53300 1
128 . 1 . 1 29 29 LYS HA H 1 4.448 0.02 . 1 . . . . . 29 K HA . 53300 1
129 . 1 . 1 29 29 LYS C C 13 175.224 0.2 . 1 . . . . . 29 K C . 53300 1
130 . 1 . 1 29 29 LYS CA C 13 56.058 0.2 . 1 . . . . . 29 K CA . 53300 1
131 . 1 . 1 29 29 LYS CB C 13 32.168 0.2 . 1 . . . . . 29 K CB . 53300 1
132 . 1 . 1 30 30 LEU H H 1 8.114 0.02 . 1 . . . . . 30 L H . 53300 1
133 . 1 . 1 30 30 LEU HA H 1 4.699 0.02 . 1 . . . . . 30 L HA . 53300 1
134 . 1 . 1 30 30 LEU C C 13 174.754 0.2 . 1 . . . . . 30 L C . 53300 1
135 . 1 . 1 30 30 LEU CA C 13 53.872 0.2 . 1 . . . . . 30 L CA . 53300 1
136 . 1 . 1 30 30 LEU CB C 13 44.373 0.2 . 1 . . . . . 30 L CB . 53300 1
137 . 1 . 1 30 30 LEU N N 15 120.71 0.2 . 1 . . . . . 30 L N . 53300 1
138 . 1 . 1 31 31 VAL H H 1 9.038 0.02 . 1 . . . . . 31 V H . 53300 1
139 . 1 . 1 31 31 VAL HA H 1 4.136 0.02 . 1 . . . . . 31 V HA . 53300 1
140 . 1 . 1 31 31 VAL C C 13 173.752 0.2 . 1 . . . . . 31 V C . 53300 1
141 . 1 . 1 31 31 VAL CA C 13 62.342 0.2 . 1 . . . . . 31 V CA . 53300 1
142 . 1 . 1 31 31 VAL CB C 13 32.023 0.2 . 1 . . . . . 31 V CB . 53300 1
143 . 1 . 1 31 31 VAL N N 15 121.859 0.2 . 1 . . . . . 31 V N . 53300 1
144 . 1 . 1 32 32 VAL H H 1 8.684 0.02 . 1 . . . . . 32 V H . 53300 1
145 . 1 . 1 32 32 VAL CA C 13 60.391 0.2 . 1 . . . . . 32 V CA . 53300 1
146 . 1 . 1 32 32 VAL N N 15 127.957 0.2 . 1 . . . . . 32 V N . 53300 1
147 . 1 . 1 38 38 ASN HA H 1 4.333 0.02 . 1 . . . . . 38 N HA . 53300 1
148 . 1 . 1 38 38 ASN HD21 H 1 7.606 0.02 . 1 . . . . . 38 N HD21 . 53300 1
149 . 1 . 1 38 38 ASN HD22 H 1 6.889 0.02 . 1 . . . . . 38 N HD22 . 53300 1
150 . 1 . 1 38 38 ASN C C 13 174.992 0.2 . 1 . . . . . 38 N C . 53300 1
151 . 1 . 1 38 38 ASN CA C 13 54.201 0.2 . 1 . . . . . 38 N CA . 53300 1
152 . 1 . 1 38 38 ASN CB C 13 37.757 0.2 . 1 . . . . . 38 N CB . 53300 1
153 . 1 . 1 38 38 ASN ND2 N 15 113.344 0.2 . 1 . . . . . 38 N ND2 . 53300 1
154 . 1 . 1 39 39 GLY H H 1 8.871 0.02 . 1 . . . . . 39 G H . 53300 1
155 . 1 . 1 39 39 GLY HA2 H 1 3.675 0.02 . 2 . . . . . 39 G HA2 . 53300 1
156 . 1 . 1 39 39 GLY HA3 H 1 4.292 0.02 . 2 . . . . . 39 G HA3 . 53300 1
157 . 1 . 1 39 39 GLY C C 13 174.177 0.2 . 1 . . . . . 39 G C . 53300 1
158 . 1 . 1 39 39 GLY CA C 13 45.214 0.2 . 1 . . . . . 39 G CA . 53300 1
159 . 1 . 1 39 39 GLY N N 15 106.613 0.2 . 1 . . . . . 39 G N . 53300 1
160 . 1 . 1 40 40 LYS H H 1 7.473 0.02 . 1 . . . . . 40 K H . 53300 1
161 . 1 . 1 40 40 LYS CA C 13 54.689 0.2 . 1 . . . . . 40 K CA . 53300 1
162 . 1 . 1 40 40 LYS N N 15 121.043 0.2 . 1 . . . . . 40 K N . 53300 1
163 . 1 . 1 45 45 LEU HA H 1 5.218 0.02 . 1 . . . . . 45 L HA . 53300 1
164 . 1 . 1 45 45 LEU C C 13 176.172 0.2 . 1 . . . . . 45 L C . 53300 1
165 . 1 . 1 45 45 LEU CA C 13 54.303 0.2 . 1 . . . . . 45 L CA . 53300 1
166 . 1 . 1 45 45 LEU CB C 13 44.977 0.2 . 1 . . . . . 45 L CB . 53300 1
167 . 1 . 1 46 46 VAL H H 1 8.98 0.02 . 1 . . . . . 46 V H . 53300 1
168 . 1 . 1 46 46 VAL CA C 13 57.775 0.2 . 1 . . . . . 46 V CA . 53300 1
169 . 1 . 1 46 46 VAL N N 15 118.926 0.2 . 1 . . . . . 46 V N . 53300 1
170 . 1 . 1 47 47 PRO HA H 1 4.679 0.02 . 1 . . . . . 47 P HA . 53300 1
171 . 1 . 1 47 47 PRO C C 13 177.959 0.2 . 1 . . . . . 47 P C . 53300 1
172 . 1 . 1 47 47 PRO CA C 13 63.491 0.2 . 1 . . . . . 47 P CA . 53300 1
173 . 1 . 1 47 47 PRO CB C 13 32.141 0.2 . 1 . . . . . 47 P CB . 53300 1
174 . 1 . 1 48 48 GLU H H 1 8.907 0.02 . 1 . . . . . 48 E H . 53300 1
175 . 1 . 1 48 48 GLU HA H 1 3.683 0.02 . 1 . . . . . 48 E HA . 53300 1
176 . 1 . 1 48 48 GLU C C 13 178.479 0.2 . 1 . . . . . 48 E C . 53300 1
177 . 1 . 1 48 48 GLU CA C 13 60.513 0.2 . 1 . . . . . 48 E CA . 53300 1
178 . 1 . 1 48 48 GLU CB C 13 29.151 0.2 . 1 . . . . . 48 E CB . 53300 1
179 . 1 . 1 48 48 GLU N N 15 126.535 0.2 . 1 . . . . . 48 E N . 53300 1
180 . 1 . 1 49 49 LYS H H 1 8.363 0.02 . 1 . . . . . 49 K H . 53300 1
181 . 1 . 1 49 49 LYS HA H 1 4.151 0.02 . 1 . . . . . 49 K HA . 53300 1
182 . 1 . 1 49 49 LYS C C 13 176.25 0.2 . 1 . . . . . 49 K C . 53300 1
183 . 1 . 1 49 49 LYS CA C 13 58.244 0.2 . 1 . . . . . 49 K CA . 53300 1
184 . 1 . 1 49 49 LYS CB C 13 31.87 0.2 . 1 . . . . . 49 K CB . 53300 1
185 . 1 . 1 49 49 LYS N N 15 114.983 0.2 . 1 . . . . . 49 K N . 53300 1
186 . 1 . 1 50 50 ASP H H 1 7.609 0.02 . 1 . . . . . 50 D H . 53300 1
187 . 1 . 1 50 50 ASP HA H 1 4.888 0.02 . 1 . . . . . 50 D HA . 53300 1
188 . 1 . 1 50 50 ASP C C 13 175.542 0.2 . 1 . . . . . 50 D C . 53300 1
189 . 1 . 1 50 50 ASP CA C 13 53.767 0.2 . 1 . . . . . 50 D CA . 53300 1
190 . 1 . 1 50 50 ASP CB C 13 42.714 0.2 . 1 . . . . . 50 D CB . 53300 1
191 . 1 . 1 50 50 ASP N N 15 117.308 0.2 . 1 . . . . . 50 D N . 53300 1
192 . 1 . 1 51 51 ALA H H 1 7.457 0.02 . 1 . . . . . 51 A H . 53300 1
193 . 1 . 1 51 51 ALA C C 13 174.126 0.2 . 1 . . . . . 51 A C . 53300 1
194 . 1 . 1 51 51 ALA CA C 13 50.049 0.2 . 1 . . . . . 51 A CA . 53300 1
195 . 1 . 1 51 51 ALA N N 15 125.249 0.2 . 1 . . . . . 51 A N . 53300 1
196 . 1 . 1 52 52 PRO C C 13 177.573 0.2 . 1 . . . . . 52 P C . 53300 1
197 . 1 . 1 52 52 PRO CA C 13 62.152 0.2 . 1 . . . . . 52 P CA . 53300 1
198 . 1 . 1 53 53 LYS H H 1 9.018 0.02 . 1 . . . . . 53 K H . 53300 1
199 . 1 . 1 53 53 LYS HA H 1 3.796 0.02 . 1 . . . . . 53 K HA . 53300 1
200 . 1 . 1 53 53 LYS C C 13 177.586 0.2 . 1 . . . . . 53 K C . 53300 1
201 . 1 . 1 53 53 LYS CA C 13 59.899 0.2 . 1 . . . . . 53 K CA . 53300 1
202 . 1 . 1 53 53 LYS CB C 13 32.101 0.2 . 1 . . . . . 53 K CB . 53300 1
203 . 1 . 1 53 53 LYS N N 15 125.772 0.2 . 1 . . . . . 53 K N . 53300 1
204 . 1 . 1 54 54 GLU H H 1 9.777 0.02 . 1 . . . . . 54 E H . 53300 1
205 . 1 . 1 54 54 GLU HA H 1 4.002 0.02 . 1 . . . . . 54 E HA . 53300 1
206 . 1 . 1 54 54 GLU C C 13 179.874 0.2 . 1 . . . . . 54 E C . 53300 1
207 . 1 . 1 54 54 GLU CA C 13 60.824 0.2 . 1 . . . . . 54 E CA . 53300 1
208 . 1 . 1 54 54 GLU CB C 13 29.286 0.2 . 1 . . . . . 54 E CB . 53300 1
209 . 1 . 1 54 54 GLU N N 15 117.074 0.2 . 1 . . . . . 54 E N . 53300 1
210 . 1 . 1 55 55 LEU H H 1 7.208 0.02 . 1 . . . . . 55 L H . 53300 1
211 . 1 . 1 55 55 LEU HA H 1 4.212 0.02 . 1 . . . . . 55 L HA . 53300 1
212 . 1 . 1 55 55 LEU C C 13 177.834 0.2 . 1 . . . . . 55 L C . 53300 1
213 . 1 . 1 55 55 LEU CA C 13 56.725 0.2 . 1 . . . . . 55 L CA . 53300 1
214 . 1 . 1 55 55 LEU CB C 13 42.988 0.2 . 1 . . . . . 55 L CB . 53300 1
215 . 1 . 1 55 55 LEU N N 15 117.269 0.2 . 1 . . . . . 55 L N . 53300 1
216 . 1 . 1 56 56 LEU H H 1 7.511 0.02 . 1 . . . . . 56 L H . 53300 1
217 . 1 . 1 56 56 LEU HA H 1 3.961 0.02 . 1 . . . . . 56 L HA . 53300 1
218 . 1 . 1 56 56 LEU C C 13 180.532 0.2 . 1 . . . . . 56 L C . 53300 1
219 . 1 . 1 56 56 LEU CA C 13 57.685 0.2 . 1 . . . . . 56 L CA . 53300 1
220 . 1 . 1 56 56 LEU CB C 13 39.997 0.2 . 1 . . . . . 56 L CB . 53300 1
221 . 1 . 1 56 56 LEU N N 15 119.526 0.2 . 1 . . . . . 56 L N . 53300 1
222 . 1 . 1 57 57 ASP H H 1 8.959 0.02 . 1 . . . . . 57 D H . 53300 1
223 . 1 . 1 57 57 ASP HA H 1 4.408 0.02 . 1 . . . . . 57 D HA . 53300 1
224 . 1 . 1 57 57 ASP C C 13 178.879 0.2 . 1 . . . . . 57 D C . 53300 1
225 . 1 . 1 57 57 ASP CA C 13 57.177 0.2 . 1 . . . . . 57 D CA . 53300 1
226 . 1 . 1 57 57 ASP CB C 13 40.018 0.2 . 1 . . . . . 57 D CB . 53300 1
227 . 1 . 1 57 57 ASP N N 15 122.007 0.2 . 1 . . . . . 57 D N . 53300 1
228 . 1 . 1 58 58 MET H H 1 7.436 0.02 . 1 . . . . . 58 M H . 53300 1
229 . 1 . 1 58 58 MET HA H 1 3.955 0.02 . 1 . . . . . 58 M HA . 53300 1
230 . 1 . 1 58 58 MET C C 13 178.867 0.2 . 1 . . . . . 58 M C . 53300 1
231 . 1 . 1 58 58 MET CA C 13 59.471 0.2 . 1 . . . . . 58 M CA . 53300 1
232 . 1 . 1 58 58 MET CB C 13 33.4 0.2 . 1 . . . . . 58 M CB . 53300 1
233 . 1 . 1 58 58 MET N N 15 120.077 0.2 . 1 . . . . . 58 M N . 53300 1
234 . 1 . 1 59 59 LEU H H 1 7.967 0.02 . 1 . . . . . 59 L H . 53300 1
235 . 1 . 1 59 59 LEU HA H 1 3.969 0.02 . 1 . . . . . 59 L HA . 53300 1
236 . 1 . 1 59 59 LEU C C 13 177.11 0.2 . 1 . . . . . 59 L C . 53300 1
237 . 1 . 1 59 59 LEU CA C 13 57.599 0.2 . 1 . . . . . 59 L CA . 53300 1
238 . 1 . 1 59 59 LEU CB C 13 41.731 0.2 . 1 . . . . . 59 L CB . 53300 1
239 . 1 . 1 59 59 LEU N N 15 121.94 0.2 . 1 . . . . . 59 L N . 53300 1
240 . 1 . 1 60 60 ALA H H 1 8.083 0.02 . 1 . . . . . 60 A H . 53300 1
241 . 1 . 1 60 60 ALA HA H 1 4.176 0.02 . 1 . . . . . 60 A HA . 53300 1
242 . 1 . 1 60 60 ALA C C 13 180.556 0.2 . 1 . . . . . 60 A C . 53300 1
243 . 1 . 1 60 60 ALA CA C 13 54.644 0.2 . 1 . . . . . 60 A CA . 53300 1
244 . 1 . 1 60 60 ALA CB C 13 17.965 0.2 . 1 . . . . . 60 A CB . 53300 1
245 . 1 . 1 60 60 ALA N N 15 121.142 0.2 . 1 . . . . . 60 A N . 53300 1
246 . 1 . 1 61 61 ARG H H 1 7.724 0.02 . 1 . . . . . 61 R H . 53300 1
247 . 1 . 1 61 61 ARG HA H 1 4.03 0.02 . 1 . . . . . 61 R HA . 53300 1
248 . 1 . 1 61 61 ARG C C 13 178.287 0.2 . 1 . . . . . 61 R C . 53300 1
249 . 1 . 1 61 61 ARG CA C 13 59.105 0.2 . 1 . . . . . 61 R CA . 53300 1
250 . 1 . 1 61 61 ARG CB C 13 30.173 0.2 . 1 . . . . . 61 R CB . 53300 1
251 . 1 . 1 61 61 ARG N N 15 117.08 0.2 . 1 . . . . . 61 R N . 53300 1
252 . 1 . 1 62 62 ALA H H 1 7.937 0.02 . 1 . . . . . 62 A H . 53300 1
253 . 1 . 1 62 62 ALA HA H 1 4.26 0.02 . 1 . . . . . 62 A HA . 53300 1
254 . 1 . 1 62 62 ALA C C 13 180.088 0.2 . 1 . . . . . 62 A C . 53300 1
255 . 1 . 1 62 62 ALA CA C 13 54.466 0.2 . 1 . . . . . 62 A CA . 53300 1
256 . 1 . 1 62 62 ALA CB C 13 18.664 0.2 . 1 . . . . . 62 A CB . 53300 1
257 . 1 . 1 62 62 ALA N N 15 122.587 0.2 . 1 . . . . . 62 A N . 53300 1
258 . 1 . 1 63 63 GLU H H 1 8.153 0.02 . 1 . . . . . 63 E H . 53300 1
259 . 1 . 1 63 63 GLU HA H 1 4.254 0.02 . 1 . . . . . 63 E HA . 53300 1
260 . 1 . 1 63 63 GLU C C 13 177.209 0.2 . 1 . . . . . 63 E C . 53300 1
261 . 1 . 1 63 63 GLU CA C 13 57.733 0.2 . 1 . . . . . 63 E CA . 53300 1
262 . 1 . 1 63 63 GLU CB C 13 30.06 0.2 . 1 . . . . . 63 E CB . 53300 1
263 . 1 . 1 63 63 GLU N N 15 116.651 0.2 . 1 . . . . . 63 E N . 53300 1
264 . 1 . 1 64 64 ARG H H 1 7.63 0.02 . 1 . . . . . 64 R H . 53300 1
265 . 1 . 1 64 64 ARG HA H 1 4.333 0.02 . 1 . . . . . 64 R HA . 53300 1
266 . 1 . 1 64 64 ARG C C 13 176.567 0.2 . 1 . . . . . 64 R C . 53300 1
267 . 1 . 1 64 64 ARG CA C 13 56.881 0.2 . 1 . . . . . 64 R CA . 53300 1
268 . 1 . 1 64 64 ARG CB C 13 30.873 0.2 . 1 . . . . . 64 R CB . 53300 1
269 . 1 . 1 64 64 ARG N N 15 118.785 0.2 . 1 . . . . . 64 R N . 53300 1
270 . 1 . 1 65 65 GLU H H 1 8.031 0.02 . 1 . . . . . 65 E H . 53300 1
271 . 1 . 1 65 65 GLU HA H 1 4.297 0.02 . 1 . . . . . 65 E HA . 53300 1
272 . 1 . 1 65 65 GLU C C 13 175.63 0.2 . 1 . . . . . 65 E C . 53300 1
273 . 1 . 1 65 65 GLU CA C 13 56.886 0.2 . 1 . . . . . 65 E CA . 53300 1
274 . 1 . 1 65 65 GLU CB C 13 30.305 0.2 . 1 . . . . . 65 E CB . 53300 1
275 . 1 . 1 65 65 GLU N N 15 121.155 0.2 . 1 . . . . . 65 E N . 53300 1
276 . 1 . 1 66 66 LYS H H 1 7.922 0.02 . 1 . . . . . 66 K H . 53300 1
277 . 1 . 1 66 66 LYS CA C 13 57.948 0.2 . 1 . . . . . 66 K CA . 53300 1
278 . 1 . 1 66 66 LYS N N 15 126.919 0.2 . 1 . . . . . 66 K N . 53300 1
stop_
save_