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 52565
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Final Mouse CCL2-P8A'
_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 '3D HNCO' . . . 52565 1
3 '3D HNCA' . . . 52565 1
4 '3D CBCA(CO)NH' . . . 52565 1
5 '3D HNCACB' . . . 52565 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 . . 52565 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 GLN H H 1 8.497 0.020 . 1 . . . . . 1 GLN H . 52565 1
2 . 1 . 1 1 1 GLN C C 13 173.723 0.3 . 1 . . . . . 1 GLN C . 52565 1
3 . 1 . 1 1 1 GLN CA C 13 57.163 0.3 . 1 . . . . . 1 GLN CA . 52565 1
4 . 1 . 1 1 1 GLN CB C 13 31.285 0.3 . 1 . . . . . 1 GLN CB . 52565 1
5 . 1 . 1 1 1 GLN N N 15 121.719 0.3 . 1 . . . . . 1 GLN N . 52565 1
6 . 1 . 1 3 3 ASP H H 1 8.310 0.020 . 1 . . . . . 3 ASP H . 52565 1
7 . 1 . 1 3 3 ASP C C 13 173.255 0.3 . 1 . . . . . 3 ASP C . 52565 1
8 . 1 . 1 3 3 ASP CA C 13 54.559 0.3 . 1 . . . . . 3 ASP CA . 52565 1
9 . 1 . 1 3 3 ASP CB C 13 41.333 0.3 . 1 . . . . . 3 ASP CB . 52565 1
10 . 1 . 1 3 3 ASP N N 15 119.923 0.3 . 1 . . . . . 3 ASP N . 52565 1
11 . 1 . 1 4 4 ALA H H 1 8.257 0.020 . 1 . . . . . 4 ALA H . 52565 1
12 . 1 . 1 4 4 ALA C C 13 175.090 0.3 . 1 . . . . . 4 ALA C . 52565 1
13 . 1 . 1 4 4 ALA CA C 13 52.733 0.3 . 1 . . . . . 4 ALA CA . 52565 1
14 . 1 . 1 4 4 ALA CB C 13 19.505 0.3 . 1 . . . . . 4 ALA CB . 52565 1
15 . 1 . 1 4 4 ALA N N 15 124.142 0.3 . 1 . . . . . 4 ALA N . 52565 1
16 . 1 . 1 5 5 VAL H H 1 8.009 0.020 . 1 . . . . . 5 VAL H . 52565 1
17 . 1 . 1 5 5 VAL C C 13 175.739 0.3 . 1 . . . . . 5 VAL C . 52565 1
18 . 1 . 1 5 5 VAL CA C 13 63.072 0.3 . 1 . . . . . 5 VAL CA . 52565 1
19 . 1 . 1 5 5 VAL CB C 13 32.715 0.3 . 1 . . . . . 5 VAL CB . 52565 1
20 . 1 . 1 5 5 VAL N N 15 118.872 0.3 . 1 . . . . . 5 VAL N . 52565 1
21 . 1 . 1 6 6 ASN H H 1 8.339 0.020 . 1 . . . . . 6 ASN H . 52565 1
22 . 1 . 1 6 6 ASN C C 13 174.501 0.3 . 1 . . . . . 6 ASN C . 52565 1
23 . 1 . 1 6 6 ASN CA C 13 53.430 0.3 . 1 . . . . . 6 ASN CA . 52565 1
24 . 1 . 1 6 6 ASN CB C 13 38.970 0.3 . 1 . . . . . 6 ASN CB . 52565 1
25 . 1 . 1 6 6 ASN N N 15 121.197 0.3 . 1 . . . . . 6 ASN N . 52565 1
26 . 1 . 1 7 7 ALA H H 1 8.106 0.020 . 1 . . . . . 7 ALA H . 52565 1
27 . 1 . 1 7 7 ALA C C 13 174.485 0.3 . 1 . . . . . 7 ALA C . 52565 1
28 . 1 . 1 7 7 ALA CA C 13 52.818 0.3 . 1 . . . . . 7 ALA CA . 52565 1
29 . 1 . 1 7 7 ALA CB C 13 19.494 0.3 . 1 . . . . . 7 ALA CB . 52565 1
30 . 1 . 1 7 7 ALA N N 15 124.315 0.3 . 1 . . . . . 7 ALA N . 52565 1
31 . 1 . 1 8 8 ALA H H 1 8.105 0.020 . 1 . . . . . 8 ALA H . 52565 1
32 . 1 . 1 8 8 ALA C C 13 174.719 0.3 . 1 . . . . . 8 ALA C . 52565 1
33 . 1 . 1 8 8 ALA CA C 13 52.563 0.3 . 1 . . . . . 8 ALA CA . 52565 1
34 . 1 . 1 8 8 ALA CB C 13 20.101 0.3 . 1 . . . . . 8 ALA CB . 52565 1
35 . 1 . 1 8 8 ALA N N 15 122.451 0.3 . 1 . . . . . 8 ALA N . 52565 1
36 . 1 . 1 9 9 LEU H H 1 8.218 0.020 . 1 . . . . . 9 LEU H . 52565 1
37 . 1 . 1 9 9 LEU C C 13 174.114 0.3 . 1 . . . . . 9 LEU C . 52565 1
38 . 1 . 1 9 9 LEU CA C 13 55.507 0.3 . 1 . . . . . 9 LEU CA . 52565 1
39 . 1 . 1 9 9 LEU CB C 13 42.991 0.3 . 1 . . . . . 9 LEU CB . 52565 1
40 . 1 . 1 9 9 LEU N N 15 122.071 0.3 . 1 . . . . . 9 LEU N . 52565 1
41 . 1 . 1 10 10 THR H H 1 8.221 0.020 . 1 . . . . . 10 THR H . 52565 1
42 . 1 . 1 10 10 THR C C 13 170.873 0.3 . 1 . . . . . 10 THR C . 52565 1
43 . 1 . 1 10 10 THR CA C 13 62.567 0.3 . 1 . . . . . 10 THR CA . 52565 1
44 . 1 . 1 10 10 THR CB C 13 69.971 0.3 . 1 . . . . . 10 THR CB . 52565 1
45 . 1 . 1 10 10 THR N N 15 118.090 0.3 . 1 . . . . . 10 THR N . 52565 1
46 . 1 . 1 11 11 CYS H H 1 8.035 0.020 . 1 . . . . . 11 CYS H . 52565 1
47 . 1 . 1 11 11 CYS C C 13 170.619 0.3 . 1 . . . . . 11 CYS C . 52565 1
48 . 1 . 1 11 11 CYS CA C 13 52.619 0.3 . 1 . . . . . 11 CYS CA . 52565 1
49 . 1 . 1 11 11 CYS CB C 13 39.676 0.3 . 1 . . . . . 11 CYS CB . 52565 1
50 . 1 . 1 11 11 CYS N N 15 117.886 0.3 . 1 . . . . . 11 CYS N . 52565 1
51 . 1 . 1 12 12 CYS H H 1 7.515 0.020 . 1 . . . . . 12 CYS H . 52565 1
52 . 1 . 1 12 12 CYS C C 13 172.864 0.3 . 1 . . . . . 12 CYS C . 52565 1
53 . 1 . 1 12 12 CYS CA C 13 55.311 0.3 . 1 . . . . . 12 CYS CA . 52565 1
54 . 1 . 1 12 12 CYS CB C 13 43.123 0.3 . 1 . . . . . 12 CYS CB . 52565 1
55 . 1 . 1 12 12 CYS N N 15 116.251 0.3 . 1 . . . . . 12 CYS N . 52565 1
56 . 1 . 1 13 13 TYR H H 1 9.087 0.020 . 1 . . . . . 13 TYR H . 52565 1
57 . 1 . 1 13 13 TYR C C 13 171.693 0.3 . 1 . . . . . 13 TYR C . 52565 1
58 . 1 . 1 13 13 TYR CA C 13 59.064 0.3 . 1 . . . . . 13 TYR CA . 52565 1
59 . 1 . 1 13 13 TYR CB C 13 39.013 0.3 . 1 . . . . . 13 TYR CB . 52565 1
60 . 1 . 1 13 13 TYR N N 15 122.615 0.3 . 1 . . . . . 13 TYR N . 52565 1
61 . 1 . 1 14 14 SER H H 1 7.458 0.020 . 1 . . . . . 14 SER H . 52565 1
62 . 1 . 1 14 14 SER C C 13 171.569 0.3 . 1 . . . . . 14 SER C . 52565 1
63 . 1 . 1 14 14 SER CA C 13 56.818 0.3 . 1 . . . . . 14 SER CA . 52565 1
64 . 1 . 1 14 14 SER CB C 13 64.837 0.3 . 1 . . . . . 14 SER CB . 52565 1
65 . 1 . 1 14 14 SER N N 15 112.753 0.3 . 1 . . . . . 14 SER N . 52565 1
66 . 1 . 1 15 15 PHE H H 1 8.489 0.020 . 1 . . . . . 15 PHE H . 52565 1
67 . 1 . 1 15 15 PHE C C 13 173.548 0.3 . 1 . . . . . 15 PHE C . 52565 1
68 . 1 . 1 15 15 PHE CA C 13 55.255 0.3 . 1 . . . . . 15 PHE CA . 52565 1
69 . 1 . 1 15 15 PHE CB C 13 42.093 0.3 . 1 . . . . . 15 PHE CB . 52565 1
70 . 1 . 1 15 15 PHE N N 15 118.884 0.3 . 1 . . . . . 15 PHE N . 52565 1
71 . 1 . 1 16 16 THR H H 1 8.649 0.020 . 1 . . . . . 16 THR H . 52565 1
72 . 1 . 1 16 16 THR CA C 13 62.663 0.3 . 1 . . . . . 16 THR CA . 52565 1
73 . 1 . 1 16 16 THR CB C 13 69.708 0.3 . 1 . . . . . 16 THR CB . 52565 1
74 . 1 . 1 16 16 THR N N 15 116.885 0.3 . 1 . . . . . 16 THR N . 52565 1
75 . 1 . 1 17 17 SER H H 1 8.823 0.020 . 1 . . . . . 17 SER H . 52565 1
76 . 1 . 1 17 17 SER C C 13 171.439 0.3 . 1 . . . . . 17 SER C . 52565 1
77 . 1 . 1 17 17 SER CA C 13 59.392 0.3 . 1 . . . . . 17 SER CA . 52565 1
78 . 1 . 1 17 17 SER CB C 13 64.270 0.3 . 1 . . . . . 17 SER CB . 52565 1
79 . 1 . 1 17 17 SER N N 15 121.782 0.3 . 1 . . . . . 17 SER N . 52565 1
80 . 1 . 1 18 18 LYS H H 1 7.901 0.020 . 1 . . . . . 18 LYS H . 52565 1
81 . 1 . 1 18 18 LYS C C 13 172.162 0.3 . 1 . . . . . 18 LYS C . 52565 1
82 . 1 . 1 18 18 LYS CA C 13 55.283 0.3 . 1 . . . . . 18 LYS CA . 52565 1
83 . 1 . 1 18 18 LYS CB C 13 34.346 0.3 . 1 . . . . . 18 LYS CB . 52565 1
84 . 1 . 1 18 18 LYS N N 15 122.532 0.3 . 1 . . . . . 18 LYS N . 52565 1
85 . 1 . 1 19 19 MET H H 1 7.958 0.020 . 1 . . . . . 19 MET H . 52565 1
86 . 1 . 1 19 19 MET C C 13 172.162 0.3 . 1 . . . . . 19 MET C . 52565 1
87 . 1 . 1 19 19 MET CA C 13 55.793 0.3 . 1 . . . . . 19 MET CA . 52565 1
88 . 1 . 1 19 19 MET CB C 13 32.449 0.3 . 1 . . . . . 19 MET CB . 52565 1
89 . 1 . 1 19 19 MET N N 15 121.118 0.3 . 1 . . . . . 19 MET N . 52565 1
90 . 1 . 1 20 20 ILE H H 1 6.000 0.020 . 1 . . . . . 20 ILE H . 52565 1
91 . 1 . 1 20 20 ILE CA C 13 57.937 0.3 . 1 . . . . . 20 ILE CA . 52565 1
92 . 1 . 1 20 20 ILE CB C 13 40.670 0.3 . 1 . . . . . 20 ILE CB . 52565 1
93 . 1 . 1 20 20 ILE N N 15 123.941 0.3 . 1 . . . . . 20 ILE N . 52565 1
94 . 1 . 1 22 22 MET H H 1 8.305 0.020 . 1 . . . . . 22 MET H . 52565 1
95 . 1 . 1 22 22 MET C C 13 178.042 0.3 . 1 . . . . . 22 MET C . 52565 1
96 . 1 . 1 22 22 MET CA C 13 58.004 0.3 . 1 . . . . . 22 MET CA . 52565 1
97 . 1 . 1 22 22 MET CB C 13 32.251 0.3 . 1 . . . . . 22 MET CB . 52565 1
98 . 1 . 1 22 22 MET N N 15 124.788 0.3 . 1 . . . . . 22 MET N . 52565 1
99 . 1 . 1 23 23 SER H H 1 8.124 0.020 . 1 . . . . . 23 SER H . 52565 1
100 . 1 . 1 23 23 SER C C 13 175.695 0.3 . 1 . . . . . 23 SER C . 52565 1
101 . 1 . 1 23 23 SER CA C 13 60.214 0.3 . 1 . . . . . 23 SER CA . 52565 1
102 . 1 . 1 23 23 SER CB C 13 62.687 0.3 . 1 . . . . . 23 SER CB . 52565 1
103 . 1 . 1 23 23 SER N N 15 111.147 0.3 . 1 . . . . . 23 SER N . 52565 1
104 . 1 . 1 24 24 ARG H H 1 7.493 0.020 . 1 . . . . . 24 ARG H . 52565 1
105 . 1 . 1 24 24 ARG C C 13 173.704 0.3 . 1 . . . . . 24 ARG C . 52565 1
106 . 1 . 1 24 24 ARG CA C 13 55.793 0.3 . 1 . . . . . 24 ARG CA . 52565 1
107 . 1 . 1 24 24 ARG CB C 13 30.926 0.3 . 1 . . . . . 24 ARG CB . 52565 1
108 . 1 . 1 24 24 ARG N N 15 117.841 0.3 . 1 . . . . . 24 ARG N . 52565 1
109 . 1 . 1 25 25 LEU H H 1 7.650 0.020 . 1 . . . . . 25 LEU H . 52565 1
110 . 1 . 1 25 25 LEU C C 13 172.318 0.3 . 1 . . . . . 25 LEU C . 52565 1
111 . 1 . 1 25 25 LEU CA C 13 55.482 0.3 . 1 . . . . . 25 LEU CA . 52565 1
112 . 1 . 1 25 25 LEU CB C 13 44.285 0.3 . 1 . . . . . 25 LEU CB . 52565 1
113 . 1 . 1 25 25 LEU N N 15 118.540 0.3 . 1 . . . . . 25 LEU N . 52565 1
114 . 1 . 1 26 26 GLU H H 1 9.130 0.020 . 1 . . . . . 26 GLU H . 52565 1
115 . 1 . 1 26 26 GLU C C 13 172.708 0.3 . 1 . . . . . 26 GLU C . 52565 1
116 . 1 . 1 26 26 GLU CA C 13 57.183 0.3 . 1 . . . . . 26 GLU CA . 52565 1
117 . 1 . 1 26 26 GLU CB C 13 33.655 0.3 . 1 . . . . . 26 GLU CB . 52565 1
118 . 1 . 1 26 26 GLU N N 15 118.879 0.3 . 1 . . . . . 26 GLU N . 52565 1
119 . 1 . 1 27 27 SER H H 1 8.073 0.020 . 1 . . . . . 27 SER H . 52565 1
120 . 1 . 1 27 27 SER C C 13 172.767 0.3 . 1 . . . . . 27 SER C . 52565 1
121 . 1 . 1 27 27 SER CA C 13 58.441 0.3 . 1 . . . . . 27 SER CA . 52565 1
122 . 1 . 1 27 27 SER CB C 13 64.695 0.3 . 1 . . . . . 27 SER CB . 52565 1
123 . 1 . 1 27 27 SER N N 15 110.268 0.3 . 1 . . . . . 27 SER N . 52565 1
124 . 1 . 1 28 28 TYR H H 1 8.263 0.020 . 1 . . . . . 28 TYR H . 52565 1
125 . 1 . 1 28 28 TYR HA H 1 5.749 0.020 . 1 . . . . . 28 TYR HA . 52565 1
126 . 1 . 1 28 28 TYR C C 13 172.608 0.3 . 1 . . . . . 28 TYR C . 52565 1
127 . 1 . 1 28 28 TYR CA C 13 56.436 0.3 . 1 . . . . . 28 TYR CA . 52565 1
128 . 1 . 1 28 28 TYR CB C 13 42.924 0.3 . 1 . . . . . 28 TYR CB . 52565 1
129 . 1 . 1 28 28 TYR N N 15 114.686 0.3 . 1 . . . . . 28 TYR N . 52565 1
130 . 1 . 1 29 29 LYS H H 1 9.069 0.020 . 1 . . . . . 29 LYS H . 52565 1
131 . 1 . 1 29 29 LYS C C 13 174.409 0.3 . 1 . . . . . 29 LYS C . 52565 1
132 . 1 . 1 29 29 LYS CA C 13 54.808 0.3 . 1 . . . . . 29 LYS CA . 52565 1
133 . 1 . 1 29 29 LYS CB C 13 36.028 0.3 . 1 . . . . . 29 LYS CB . 52565 1
134 . 1 . 1 29 29 LYS N N 15 118.521 0.3 . 1 . . . . . 29 LYS N . 52565 1
135 . 1 . 1 30 30 ARG H H 1 8.848 0.020 . 1 . . . . . 30 ARG H . 52565 1
136 . 1 . 1 30 30 ARG C C 13 175.383 0.3 . 1 . . . . . 30 ARG C . 52565 1
137 . 1 . 1 30 30 ARG CA C 13 56.303 0.3 . 1 . . . . . 30 ARG CA . 52565 1
138 . 1 . 1 30 30 ARG CB C 13 32.214 0.3 . 1 . . . . . 30 ARG CB . 52565 1
139 . 1 . 1 30 30 ARG N N 15 120.673 0.3 . 1 . . . . . 30 ARG N . 52565 1
140 . 1 . 1 31 31 ILE H H 1 8.532 0.020 . 1 . . . . . 31 ILE H . 52565 1
141 . 1 . 1 31 31 ILE C C 13 172.884 0.3 . 1 . . . . . 31 ILE C . 52565 1
142 . 1 . 1 31 31 ILE CA C 13 60.438 0.3 . 1 . . . . . 31 ILE CA . 52565 1
143 . 1 . 1 31 31 ILE CB C 13 38.970 0.3 . 1 . . . . . 31 ILE CB . 52565 1
144 . 1 . 1 31 31 ILE N N 15 123.898 0.3 . 1 . . . . . 31 ILE N . 52565 1
145 . 1 . 1 32 32 THR H H 1 8.348 0.020 . 1 . . . . . 32 THR H . 52565 1
146 . 1 . 1 32 32 THR C C 13 171.947 0.3 . 1 . . . . . 32 THR C . 52565 1
147 . 1 . 1 32 32 THR CA C 13 60.583 0.3 . 1 . . . . . 32 THR CA . 52565 1
148 . 1 . 1 32 32 THR CB C 13 70.501 0.3 . 1 . . . . . 32 THR CB . 52565 1
149 . 1 . 1 32 32 THR N N 15 116.389 0.3 . 1 . . . . . 32 THR N . 52565 1
150 . 1 . 1 33 33 SER H H 1 7.880 0.020 . 1 . . . . . 33 SER H . 52565 1
151 . 1 . 1 33 33 SER C C 13 178.455 0.3 . 1 . . . . . 33 SER C . 52565 1
152 . 1 . 1 33 33 SER CA C 13 58.287 0.3 . 1 . . . . . 33 SER CA . 52565 1
153 . 1 . 1 33 33 SER CB C 13 64.137 0.3 . 1 . . . . . 33 SER CB . 52565 1
154 . 1 . 1 33 33 SER N N 15 115.610 0.3 . 1 . . . . . 33 SER N . 52565 1
155 . 1 . 1 34 34 SER H H 1 8.347 0.020 . 1 . . . . . 34 SER H . 52565 1
156 . 1 . 1 34 34 SER C C 13 173.255 0.3 . 1 . . . . . 34 SER C . 52565 1
157 . 1 . 1 34 34 SER CA C 13 58.551 0.3 . 1 . . . . . 34 SER CA . 52565 1
158 . 1 . 1 34 34 SER CB C 13 64.348 0.3 . 1 . . . . . 34 SER CB . 52565 1
159 . 1 . 1 34 34 SER N N 15 118.100 0.3 . 1 . . . . . 34 SER N . 52565 1
160 . 1 . 1 35 35 ARG H H 1 7.965 0.020 . 1 . . . . . 35 ARG H . 52565 1
161 . 1 . 1 35 35 ARG C C 13 171.107 0.3 . 1 . . . . . 35 ARG C . 52565 1
162 . 1 . 1 35 35 ARG CA C 13 53.951 0.3 . 1 . . . . . 35 ARG CA . 52565 1
163 . 1 . 1 35 35 ARG CB C 13 31.682 0.3 . 1 . . . . . 35 ARG CB . 52565 1
164 . 1 . 1 35 35 ARG N N 15 121.686 0.3 . 1 . . . . . 35 ARG N . 52565 1
165 . 1 . 1 36 36 CYS H H 1 7.428 0.020 . 1 . . . . . 36 CYS H . 52565 1
166 . 1 . 1 36 36 CYS C C 13 170.951 0.3 . 1 . . . . . 36 CYS C . 52565 1
167 . 1 . 1 36 36 CYS CA C 13 50.862 0.3 . 1 . . . . . 36 CYS CA . 52565 1
168 . 1 . 1 36 36 CYS CB C 13 37.422 0.3 . 1 . . . . . 36 CYS CB . 52565 1
169 . 1 . 1 36 36 CYS N N 15 116.913 0.3 . 1 . . . . . 36 CYS N . 52565 1
170 . 1 . 1 38 38 LYS H H 1 6.773 0.020 . 1 . . . . . 38 LYS H . 52565 1
171 . 1 . 1 38 38 LYS C C 13 175.024 0.3 . 1 . . . . . 38 LYS C . 52565 1
172 . 1 . 1 38 38 LYS CA C 13 54.434 0.3 . 1 . . . . . 38 LYS CA . 52565 1
173 . 1 . 1 38 38 LYS CB C 13 35.907 0.3 . 1 . . . . . 38 LYS CB . 52565 1
174 . 1 . 1 38 38 LYS N N 15 112.187 0.3 . 1 . . . . . 38 LYS N . 52565 1
175 . 1 . 1 39 39 GLU H H 1 8.463 0.020 . 1 . . . . . 39 GLU H . 52565 1
176 . 1 . 1 39 39 GLU C C 13 172.845 0.3 . 1 . . . . . 39 GLU C . 52565 1
177 . 1 . 1 39 39 GLU CA C 13 56.929 0.3 . 1 . . . . . 39 GLU CA . 52565 1
178 . 1 . 1 39 39 GLU CB C 13 29.869 0.3 . 1 . . . . . 39 GLU CB . 52565 1
179 . 1 . 1 39 39 GLU N N 15 123.573 0.3 . 1 . . . . . 39 GLU N . 52565 1
180 . 1 . 1 40 40 ALA H H 1 8.476 0.020 . 1 . . . . . 40 ALA H . 52565 1
181 . 1 . 1 40 40 ALA C C 13 173.458 0.3 . 1 . . . . . 40 ALA C . 52565 1
182 . 1 . 1 40 40 ALA CA C 13 51.344 0.3 . 1 . . . . . 40 ALA CA . 52565 1
183 . 1 . 1 40 40 ALA CB C 13 25.352 0.3 . 1 . . . . . 40 ALA CB . 52565 1
184 . 1 . 1 40 40 ALA N N 15 121.251 0.3 . 1 . . . . . 40 ALA N . 52565 1
185 . 1 . 1 41 41 VAL H H 1 8.303 0.020 . 1 . . . . . 41 VAL H . 52565 1
186 . 1 . 1 41 41 VAL C C 13 172.612 0.3 . 1 . . . . . 41 VAL C . 52565 1
187 . 1 . 1 41 41 VAL CA C 13 61.821 0.3 . 1 . . . . . 41 VAL CA . 52565 1
188 . 1 . 1 41 41 VAL CB C 13 34.694 0.3 . 1 . . . . . 41 VAL CB . 52565 1
189 . 1 . 1 41 41 VAL N N 15 121.743 0.3 . 1 . . . . . 41 VAL N . 52565 1
190 . 1 . 1 42 42 VAL H H 1 8.857 0.020 . 1 . . . . . 42 VAL H . 52565 1
191 . 1 . 1 42 42 VAL C C 13 176.224 0.3 . 1 . . . . . 42 VAL C . 52565 1
192 . 1 . 1 42 42 VAL CA C 13 60.441 0.3 . 1 . . . . . 42 VAL CA . 52565 1
193 . 1 . 1 42 42 VAL CB C 13 34.181 0.3 . 1 . . . . . 42 VAL CB . 52565 1
194 . 1 . 1 42 42 VAL N N 15 125.287 0.3 . 1 . . . . . 42 VAL N . 52565 1
195 . 1 . 1 43 43 PHE H H 1 9.190 0.020 . 1 . . . . . 43 PHE H . 52565 1
196 . 1 . 1 43 43 PHE C C 13 174.233 0.3 . 1 . . . . . 43 PHE C . 52565 1
197 . 1 . 1 43 43 PHE CA C 13 57.947 0.3 . 1 . . . . . 43 PHE CA . 52565 1
198 . 1 . 1 43 43 PHE CB C 13 41.960 0.3 . 1 . . . . . 43 PHE CB . 52565 1
199 . 1 . 1 43 43 PHE N N 15 124.791 0.3 . 1 . . . . . 43 PHE N . 52565 1
200 . 1 . 1 44 44 VAL H H 1 8.759 0.020 . 1 . . . . . 44 VAL H . 52565 1
201 . 1 . 1 44 44 VAL C C 13 174.797 0.3 . 1 . . . . . 44 VAL C . 52565 1
202 . 1 . 1 44 44 VAL CA C 13 61.405 0.3 . 1 . . . . . 44 VAL CA . 52565 1
203 . 1 . 1 44 44 VAL CB C 13 32.447 0.3 . 1 . . . . . 44 VAL CB . 52565 1
204 . 1 . 1 44 44 VAL N N 15 122.219 0.3 . 1 . . . . . 44 VAL N . 52565 1
205 . 1 . 1 45 45 THR H H 1 9.291 0.020 . 1 . . . . . 45 THR H . 52565 1
206 . 1 . 1 45 45 THR C C 13 176.230 0.3 . 1 . . . . . 45 THR C . 52565 1
207 . 1 . 1 45 45 THR CA C 13 60.809 0.3 . 1 . . . . . 45 THR CA . 52565 1
208 . 1 . 1 45 45 THR CB C 13 71.932 0.3 . 1 . . . . . 45 THR CB . 52565 1
209 . 1 . 1 45 45 THR N N 15 118.007 0.3 . 1 . . . . . 45 THR N . 52565 1
210 . 1 . 1 46 46 LYS H H 1 8.583 0.020 . 1 . . . . . 46 LYS H . 52565 1
211 . 1 . 1 46 46 LYS C C 13 174.563 0.3 . 1 . . . . . 46 LYS C . 52565 1
212 . 1 . 1 46 46 LYS CA C 13 59.222 0.3 . 1 . . . . . 46 LYS CA . 52565 1
213 . 1 . 1 46 46 LYS CB C 13 32.659 0.3 . 1 . . . . . 46 LYS CB . 52565 1
214 . 1 . 1 46 46 LYS N N 15 119.526 0.3 . 1 . . . . . 46 LYS N . 52565 1
215 . 1 . 1 47 47 LEU H H 1 7.403 0.020 . 1 . . . . . 47 LEU H . 52565 1
216 . 1 . 1 47 47 LEU C C 13 172.864 0.3 . 1 . . . . . 47 LEU C . 52565 1
217 . 1 . 1 47 47 LEU CA C 13 54.556 0.3 . 1 . . . . . 47 LEU CA . 52565 1
218 . 1 . 1 47 47 LEU CB C 13 40.831 0.3 . 1 . . . . . 47 LEU CB . 52565 1
219 . 1 . 1 47 47 LEU N N 15 117.597 0.3 . 1 . . . . . 47 LEU N . 52565 1
220 . 1 . 1 48 48 LYS H H 1 8.154 0.020 . 1 . . . . . 48 LYS H . 52565 1
221 . 1 . 1 48 48 LYS C C 13 175.602 0.3 . 1 . . . . . 48 LYS C . 52565 1
222 . 1 . 1 48 48 LYS CA C 13 56.728 0.3 . 1 . . . . . 48 LYS CA . 52565 1
223 . 1 . 1 48 48 LYS CB C 13 28.208 0.3 . 1 . . . . . 48 LYS CB . 52565 1
224 . 1 . 1 48 48 LYS N N 15 113.443 0.3 . 1 . . . . . 48 LYS N . 52565 1
225 . 1 . 1 49 49 ARG H H 1 7.334 0.020 . 1 . . . . . 49 ARG H . 52565 1
226 . 1 . 1 49 49 ARG C C 13 174.762 0.3 . 1 . . . . . 49 ARG C . 52565 1
227 . 1 . 1 49 49 ARG CA C 13 55.307 0.3 . 1 . . . . . 49 ARG CA . 52565 1
228 . 1 . 1 49 49 ARG CB C 13 31.058 0.3 . 1 . . . . . 49 ARG CB . 52565 1
229 . 1 . 1 49 49 ARG N N 15 118.590 0.3 . 1 . . . . . 49 ARG N . 52565 1
230 . 1 . 1 50 50 GLU H H 1 8.417 0.020 . 1 . . . . . 50 GLU H . 52565 1
231 . 1 . 1 50 50 GLU C C 13 174.055 0.3 . 1 . . . . . 50 GLU C . 52565 1
232 . 1 . 1 50 50 GLU CA C 13 55.793 0.3 . 1 . . . . . 50 GLU CA . 52565 1
233 . 1 . 1 50 50 GLU CB C 13 31.452 0.3 . 1 . . . . . 50 GLU CB . 52565 1
234 . 1 . 1 50 50 GLU N N 15 121.178 0.3 . 1 . . . . . 50 GLU N . 52565 1
235 . 1 . 1 51 51 VAL H H 1 9.357 0.020 . 1 . . . . . 51 VAL H . 52565 1
236 . 1 . 1 51 51 VAL C C 13 172.494 0.3 . 1 . . . . . 51 VAL C . 52565 1
237 . 1 . 1 51 51 VAL CA C 13 61.631 0.3 . 1 . . . . . 51 VAL CA . 52565 1
238 . 1 . 1 51 51 VAL CB C 13 35.851 0.3 . 1 . . . . . 51 VAL CB . 52565 1
239 . 1 . 1 51 51 VAL N N 15 123.955 0.3 . 1 . . . . . 51 VAL N . 52565 1
240 . 1 . 1 52 52 CYS H H 1 8.955 0.020 . 1 . . . . . 52 CYS H . 52565 1
241 . 1 . 1 52 52 CYS C C 13 171.517 0.3 . 1 . . . . . 52 CYS C . 52565 1
242 . 1 . 1 52 52 CYS CA C 13 58.797 0.3 . 1 . . . . . 52 CYS CA . 52565 1
243 . 1 . 1 52 52 CYS CB C 13 46.411 0.3 . 1 . . . . . 52 CYS CB . 52565 1
244 . 1 . 1 52 52 CYS N N 15 125.972 0.3 . 1 . . . . . 52 CYS N . 52565 1
245 . 1 . 1 53 53 ALA H H 1 9.933 0.020 . 1 . . . . . 53 ALA H . 52565 1
246 . 1 . 1 53 53 ALA C C 13 170.815 0.3 . 1 . . . . . 53 ALA C . 52565 1
247 . 1 . 1 53 53 ALA CA C 13 51.061 0.3 . 1 . . . . . 53 ALA CA . 52565 1
248 . 1 . 1 53 53 ALA CB C 13 23.956 0.3 . 1 . . . . . 53 ALA CB . 52565 1
249 . 1 . 1 53 53 ALA N N 15 127.097 0.3 . 1 . . . . . 53 ALA N . 52565 1
250 . 1 . 1 54 54 ASP H H 1 8.047 0.020 . 1 . . . . . 54 ASP H . 52565 1
251 . 1 . 1 54 54 ASP C C 13 174.914 0.3 . 1 . . . . . 54 ASP C . 52565 1
252 . 1 . 1 54 54 ASP CA C 13 50.437 0.3 . 1 . . . . . 54 ASP CA . 52565 1
253 . 1 . 1 54 54 ASP CB C 13 42.394 0.3 . 1 . . . . . 54 ASP CB . 52565 1
254 . 1 . 1 54 54 ASP N N 15 121.440 0.3 . 1 . . . . . 54 ASP N . 52565 1
255 . 1 . 1 56 56 LYS H H 1 7.955 0.020 . 1 . . . . . 56 LYS H . 52565 1
256 . 1 . 1 56 56 LYS C C 13 174.992 0.3 . 1 . . . . . 56 LYS C . 52565 1
257 . 1 . 1 56 56 LYS CA C 13 56.929 0.3 . 1 . . . . . 56 LYS CA . 52565 1
258 . 1 . 1 56 56 LYS CB C 13 32.217 0.3 . 1 . . . . . 56 LYS CB . 52565 1
259 . 1 . 1 56 56 LYS N N 15 114.832 0.3 . 1 . . . . . 56 LYS N . 52565 1
260 . 1 . 1 57 57 LYS H H 1 7.213 0.020 . 1 . . . . . 57 LYS H . 52565 1
261 . 1 . 1 57 57 LYS C C 13 174.543 0.3 . 1 . . . . . 57 LYS C . 52565 1
262 . 1 . 1 57 57 LYS CA C 13 54.681 0.3 . 1 . . . . . 57 LYS CA . 52565 1
263 . 1 . 1 57 57 LYS CB C 13 32.715 0.3 . 1 . . . . . 57 LYS CB . 52565 1
264 . 1 . 1 57 57 LYS N N 15 118.660 0.3 . 1 . . . . . 57 LYS N . 52565 1
265 . 1 . 1 58 58 GLU H H 1 8.879 0.020 . 1 . . . . . 58 GLU H . 52565 1
266 . 1 . 1 58 58 GLU C C 13 176.574 0.3 . 1 . . . . . 58 GLU C . 52565 1
267 . 1 . 1 58 58 GLU CA C 13 60.441 0.3 . 1 . . . . . 58 GLU CA . 52565 1
268 . 1 . 1 58 58 GLU CB C 13 28.937 0.3 . 1 . . . . . 58 GLU CB . 52565 1
269 . 1 . 1 58 58 GLU N N 15 124.720 0.3 . 1 . . . . . 58 GLU N . 52565 1
270 . 1 . 1 59 59 TRP H H 1 8.136 0.020 . 1 . . . . . 59 TRP H . 52565 1
271 . 1 . 1 59 59 TRP C C 13 173.528 0.3 . 1 . . . . . 59 TRP C . 52565 1
272 . 1 . 1 59 59 TRP CA C 13 59.615 0.3 . 1 . . . . . 59 TRP CA . 52565 1
273 . 1 . 1 59 59 TRP CB C 13 26.948 0.3 . 1 . . . . . 59 TRP CB . 52565 1
274 . 1 . 1 59 59 TRP N N 15 116.291 0.3 . 1 . . . . . 59 TRP N . 52565 1
275 . 1 . 1 60 60 VAL H H 1 5.482 0.020 . 1 . . . . . 60 VAL H . 52565 1
276 . 1 . 1 60 60 VAL HA H 1 2.670 0.020 . 1 . . . . . 60 VAL HA . 52565 1
277 . 1 . 1 60 60 VAL CA C 13 66.076 0.3 . 1 . . . . . 60 VAL CA . 52565 1
278 . 1 . 1 60 60 VAL CB C 13 31.131 0.3 . 1 . . . . . 60 VAL CB . 52565 1
279 . 1 . 1 60 60 VAL N N 15 121.989 0.3 . 1 . . . . . 60 VAL N . 52565 1
280 . 1 . 1 61 61 GLN H H 1 7.056 0.020 . 1 . . . . . 61 GLN H . 52565 1
281 . 1 . 1 61 61 GLN C C 13 176.691 0.3 . 1 . . . . . 61 GLN C . 52565 1
282 . 1 . 1 61 61 GLN CA C 13 58.882 0.3 . 1 . . . . . 61 GLN CA . 52565 1
283 . 1 . 1 61 61 GLN CB C 13 27.677 0.3 . 1 . . . . . 61 GLN CB . 52565 1
284 . 1 . 1 61 61 GLN N N 15 116.394 0.3 . 1 . . . . . 61 GLN N . 52565 1
285 . 1 . 1 62 62 THR H H 1 8.538 0.020 . 1 . . . . . 62 THR H . 52565 1
286 . 1 . 1 62 62 THR C C 13 176.750 0.3 . 1 . . . . . 62 THR C . 52565 1
287 . 1 . 1 62 62 THR CA C 13 66.874 0.3 . 1 . . . . . 62 THR CA . 52565 1
288 . 1 . 1 62 62 THR CB C 13 68.871 0.3 . 1 . . . . . 62 THR CB . 52565 1
289 . 1 . 1 62 62 THR N N 15 118.167 0.3 . 1 . . . . . 62 THR N . 52565 1
290 . 1 . 1 63 63 TYR H H 1 8.672 0.020 . 1 . . . . . 63 TYR H . 52565 1
291 . 1 . 1 63 63 TYR CA C 13 60.065 0.3 . 1 . . . . . 63 TYR CA . 52565 1
292 . 1 . 1 63 63 TYR CB C 13 37.453 0.3 . 1 . . . . . 63 TYR CB . 52565 1
293 . 1 . 1 63 63 TYR N N 15 123.971 0.3 . 1 . . . . . 63 TYR N . 52565 1
294 . 1 . 1 64 64 ILE H H 1 8.050 0.020 . 1 . . . . . 64 ILE H . 52565 1
295 . 1 . 1 64 64 ILE C C 13 172.416 0.3 . 1 . . . . . 64 ILE C . 52565 1
296 . 1 . 1 64 64 ILE CA C 13 66.468 0.3 . 1 . . . . . 64 ILE CA . 52565 1
297 . 1 . 1 64 64 ILE CB C 13 37.829 0.3 . 1 . . . . . 64 ILE CB . 52565 1
298 . 1 . 1 64 64 ILE N N 15 119.036 0.3 . 1 . . . . . 64 ILE N . 52565 1
299 . 1 . 1 65 65 LYS H H 1 7.321 0.020 . 1 . . . . . 65 LYS H . 52565 1
300 . 1 . 1 65 65 LYS C C 13 175.169 0.3 . 1 . . . . . 65 LYS C . 52565 1
301 . 1 . 1 65 65 LYS CA C 13 59.687 0.3 . 1 . . . . . 65 LYS CA . 52565 1
302 . 1 . 1 65 65 LYS CB C 13 32.207 0.3 . 1 . . . . . 65 LYS CB . 52565 1
303 . 1 . 1 65 65 LYS N N 15 117.499 0.3 . 1 . . . . . 65 LYS N . 52565 1
304 . 1 . 1 66 66 ASN H H 1 7.987 0.020 . 1 . . . . . 66 ASN H . 52565 1
305 . 1 . 1 66 66 ASN CA C 13 56.190 0.3 . 1 . . . . . 66 ASN CA . 52565 1
306 . 1 . 1 66 66 ASN CB C 13 38.947 0.3 . 1 . . . . . 66 ASN CB . 52565 1
307 . 1 . 1 66 66 ASN N N 15 117.193 0.3 . 1 . . . . . 66 ASN N . 52565 1
308 . 1 . 1 67 67 LEU H H 1 8.610 0.020 . 1 . . . . . 67 LEU H . 52565 1
309 . 1 . 1 67 67 LEU C C 13 176.886 0.3 . 1 . . . . . 67 LEU C . 52565 1
310 . 1 . 1 67 67 LEU CA C 13 58.167 0.3 . 1 . . . . . 67 LEU CA . 52565 1
311 . 1 . 1 67 67 LEU CB C 13 41.864 0.3 . 1 . . . . . 67 LEU CB . 52565 1
312 . 1 . 1 67 67 LEU N N 15 122.200 0.3 . 1 . . . . . 67 LEU N . 52565 1
313 . 1 . 1 68 68 ASP H H 1 8.625 0.020 . 1 . . . . . 68 ASP H . 52565 1
314 . 1 . 1 68 68 ASP C C 13 171.459 0.3 . 1 . . . . . 68 ASP C . 52565 1
315 . 1 . 1 68 68 ASP CA C 13 56.934 0.3 . 1 . . . . . 68 ASP CA . 52565 1
316 . 1 . 1 68 68 ASP CB C 13 40.683 0.3 . 1 . . . . . 68 ASP CB . 52565 1
317 . 1 . 1 68 68 ASP N N 15 120.085 0.3 . 1 . . . . . 68 ASP N . 52565 1
318 . 1 . 1 69 69 ARG H H 1 7.669 0.020 . 1 . . . . . 69 ARG H . 52565 1
319 . 1 . 1 69 69 ARG CA C 13 58.439 0.3 . 1 . . . . . 69 ARG CA . 52565 1
320 . 1 . 1 69 69 ARG CB C 13 30.204 0.3 . 1 . . . . . 69 ARG CB . 52565 1
321 . 1 . 1 69 69 ARG N N 15 119.303 0.3 . 1 . . . . . 69 ARG N . 52565 1
322 . 1 . 1 70 70 ASN H H 1 7.941 0.020 . 1 . . . . . 70 ASN H . 52565 1
323 . 1 . 1 70 70 ASN CA C 13 54.281 0.3 . 1 . . . . . 70 ASN CA . 52565 1
324 . 1 . 1 70 70 ASN CB C 13 38.881 0.3 . 1 . . . . . 70 ASN CB . 52565 1
325 . 1 . 1 70 70 ASN N N 15 117.365 0.3 . 1 . . . . . 70 ASN N . 52565 1
326 . 1 . 1 71 71 GLN H H 1 7.960 0.020 . 1 . . . . . 71 GLN H . 52565 1
327 . 1 . 1 71 71 GLN C C 13 175.762 0.3 . 1 . . . . . 71 GLN C . 52565 1
328 . 1 . 1 71 71 GLN CA C 13 56.777 0.3 . 1 . . . . . 71 GLN CA . 52565 1
329 . 1 . 1 71 71 GLN CB C 13 29.296 0.3 . 1 . . . . . 71 GLN CB . 52565 1
330 . 1 . 1 71 71 GLN N N 15 118.645 0.3 . 1 . . . . . 71 GLN N . 52565 1
331 . 1 . 1 72 72 MET H H 1 8.074 0.020 . 1 . . . . . 72 MET H . 52565 1
332 . 1 . 1 72 72 MET C C 13 175.548 0.3 . 1 . . . . . 72 MET C . 52565 1
333 . 1 . 1 72 72 MET CA C 13 56.182 0.3 . 1 . . . . . 72 MET CA . 52565 1
334 . 1 . 1 72 72 MET CB C 13 32.726 0.3 . 1 . . . . . 72 MET CB . 52565 1
335 . 1 . 1 72 72 MET N N 15 119.662 0.3 . 1 . . . . . 72 MET N . 52565 1
336 . 1 . 1 73 73 ARG H H 1 8.105 0.020 . 1 . . . . . 73 ARG H . 52565 1
337 . 1 . 1 73 73 ARG C C 13 173.314 0.3 . 1 . . . . . 73 ARG C . 52565 1
338 . 1 . 1 73 73 ARG CA C 13 56.162 0.3 . 1 . . . . . 73 ARG CA . 52565 1
339 . 1 . 1 73 73 ARG CB C 13 31.131 0.3 . 1 . . . . . 73 ARG CB . 52565 1
340 . 1 . 1 73 73 ARG N N 15 121.456 0.3 . 1 . . . . . 73 ARG N . 52565 1
341 . 1 . 1 74 74 SER H H 1 8.300 0.020 . 1 . . . . . 74 SER H . 52565 1
342 . 1 . 1 74 74 SER C C 13 173.314 0.3 . 1 . . . . . 74 SER C . 52565 1
343 . 1 . 1 74 74 SER CA C 13 58.457 0.3 . 1 . . . . . 74 SER CA . 52565 1
344 . 1 . 1 74 74 SER CB C 13 64.270 0.3 . 1 . . . . . 74 SER CB . 52565 1
345 . 1 . 1 74 74 SER N N 15 117.306 0.3 . 1 . . . . . 74 SER N . 52565 1
346 . 1 . 1 75 75 GLU H H 1 8.182 0.020 . 1 . . . . . 75 GLU H . 52565 1
347 . 1 . 1 75 75 GLU C C 13 170.795 0.3 . 1 . . . . . 75 GLU C . 52565 1
348 . 1 . 1 75 75 GLU CA C 13 54.433 0.3 . 1 . . . . . 75 GLU CA . 52565 1
349 . 1 . 1 75 75 GLU CB C 13 29.799 0.3 . 1 . . . . . 75 GLU CB . 52565 1
350 . 1 . 1 75 75 GLU N N 15 123.628 0.3 . 1 . . . . . 75 GLU N . 52565 1
stop_
save_