Content for NMR-STAR saveframe, "assigned_chemical_shifts_3"
save_assigned_chemical_shifts_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3
_Assigned_chem_shift_list.Entry_ID 50213
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Name Tim13_35C
_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 BEST-TROSY HSQC' . . . 50213 3
2 '3D BEST-TROSY HNCO' . . . 50213 3
3 '3D BEST-TROSY HNCA' . . . 50213 3
4 '3D BEST-TROSY HN(CO)CA' . . . 50213 3
5 '3D BEST-TROSY HN(COCA)CB' . . . 50213 3
6 '3D BEST-TROSY HN(CA)CO' . . . 50213 3
7 '3D BEST-TROSY HN(CA)CB' . . . 50213 3
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 . . 50213 3
2 $software_2 . . 50213 3
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 . 2 . 2 3 3 LEU H H 1 8.310 0.000 . 1 . . . . . 3 LEU H . 50213 3
2 . 2 . 2 3 3 LEU C C 13 177.681 0.000 . 1 . . . . . 3 LEU C . 50213 3
3 . 2 . 2 3 3 LEU CA C 13 55.142 0.000 . 1 . . . . . 3 LEU CA . 50213 3
4 . 2 . 2 3 3 LEU CB C 13 41.321 0.000 . 1 . . . . . 3 LEU CB . 50213 3
5 . 2 . 2 3 3 LEU N N 15 122.661 0.000 . 1 . . . . . 3 LEU N . 50213 3
6 . 2 . 2 4 4 SER H H 1 8.250 0.000 . 1 . . . . . 4 SER H . 50213 3
7 . 2 . 2 4 4 SER C C 13 174.806 0.000 . 1 . . . . . 4 SER C . 50213 3
8 . 2 . 2 4 4 SER CA C 13 58.363 0.000 . 1 . . . . . 4 SER CA . 50213 3
9 . 2 . 2 4 4 SER CB C 13 62.951 0.000 . 1 . . . . . 4 SER CB . 50213 3
10 . 2 . 2 4 4 SER N N 15 116.429 0.000 . 1 . . . . . 4 SER N . 50213 3
11 . 2 . 2 5 5 SER H H 1 8.103 0.000 . 1 . . . . . 5 SER H . 50213 3
12 . 2 . 2 5 5 SER C C 13 174.655 0.000 . 1 . . . . . 5 SER C . 50213 3
13 . 2 . 2 5 5 SER CA C 13 58.199 0.000 . 1 . . . . . 5 SER CA . 50213 3
14 . 2 . 2 5 5 SER N N 15 117.899 0.000 . 1 . . . . . 5 SER N . 50213 3
15 . 2 . 2 6 6 ILE H H 1 7.788 0.000 . 1 . . . . . 6 ILE H . 50213 3
16 . 2 . 2 6 6 ILE C C 13 175.991 0.000 . 1 . . . . . 6 ILE C . 50213 3
17 . 2 . 2 6 6 ILE CA C 13 61.327 0.000 . 1 . . . . . 6 ILE CA . 50213 3
18 . 2 . 2 6 6 ILE CB C 13 37.489 0.000 . 1 . . . . . 6 ILE CB . 50213 3
19 . 2 . 2 6 6 ILE N N 15 121.622 0.000 . 1 . . . . . 6 ILE N . 50213 3
20 . 2 . 2 7 7 PHE H H 1 8.006 0.000 . 1 . . . . . 7 PHE H . 50213 3
21 . 2 . 2 7 7 PHE C C 13 176.237 0.000 . 1 . . . . . 7 PHE C . 50213 3
22 . 2 . 2 7 7 PHE CA C 13 57.368 0.000 . 1 . . . . . 7 PHE CA . 50213 3
23 . 2 . 2 7 7 PHE N N 15 122.507 0.000 . 1 . . . . . 7 PHE N . 50213 3
24 . 2 . 2 8 8 GLY H H 1 8.079 0.000 . 1 . . . . . 8 GLY H . 50213 3
25 . 2 . 2 8 8 GLY C C 13 174.540 0.000 . 1 . . . . . 8 GLY C . 50213 3
26 . 2 . 2 8 8 GLY CA C 13 44.933 0.000 . 1 . . . . . 8 GLY CA . 50213 3
27 . 2 . 2 8 8 GLY N N 15 110.923 0.000 . 1 . . . . . 8 GLY N . 50213 3
28 . 2 . 2 9 9 GLY H H 1 7.927 0.000 . 1 . . . . . 9 GLY H . 50213 3
29 . 2 . 2 9 9 GLY C C 13 174.488 0.000 . 1 . . . . . 9 GLY C . 50213 3
30 . 2 . 2 9 9 GLY N N 15 108.891 0.000 . 1 . . . . . 9 GLY N . 50213 3
31 . 2 . 2 10 10 GLY H H 1 8.121 0.000 . 1 . . . . . 10 GLY H . 50213 3
32 . 2 . 2 10 10 GLY C C 13 173.353 0.000 . 1 . . . . . 10 GLY C . 50213 3
33 . 2 . 2 10 10 GLY CA C 13 44.430 0.000 . 1 . . . . . 10 GLY CA . 50213 3
34 . 2 . 2 10 10 GLY N N 15 109.059 0.000 . 1 . . . . . 10 GLY N . 50213 3
35 . 2 . 2 11 11 ALA H H 1 8.040 0.000 . 1 . . . . . 11 ALA H . 50213 3
36 . 2 . 2 11 11 ALA C C 13 175.794 0.000 . 1 . . . . . 11 ALA C . 50213 3
37 . 2 . 2 11 11 ALA CA C 13 50.155 0.000 . 1 . . . . . 11 ALA CA . 50213 3
38 . 2 . 2 11 11 ALA CB C 13 17.360 0.000 . 1 . . . . . 11 ALA CB . 50213 3
39 . 2 . 2 11 11 ALA N N 15 125.120 0.000 . 1 . . . . . 11 ALA N . 50213 3
40 . 2 . 2 13 13 SER H H 1 8.218 0.000 . 1 . . . . . 13 SER H . 50213 3
41 . 2 . 2 13 13 SER CA C 13 58.048 0.000 . 1 . . . . . 13 SER CA . 50213 3
42 . 2 . 2 13 13 SER CB C 13 63.337 0.000 . 1 . . . . . 13 SER CB . 50213 3
43 . 2 . 2 13 13 SER N N 15 121.853 0.000 . 1 . . . . . 13 SER N . 50213 3
44 . 2 . 2 14 14 GLN H H 1 8.247 0.000 . 1 . . . . . 14 GLN H . 50213 3
45 . 2 . 2 14 14 GLN CA C 13 55.516 0.000 . 1 . . . . . 14 GLN CA . 50213 3
46 . 2 . 2 14 14 GLN CB C 13 62.988 0.000 . 1 . . . . . 14 GLN CB . 50213 3
47 . 2 . 2 14 14 GLN N N 15 122.324 0.000 . 1 . . . . . 14 GLN N . 50213 3
48 . 2 . 2 15 15 GLN H H 1 8.292 0.000 . 1 . . . . . 15 GLN H . 50213 3
49 . 2 . 2 15 15 GLN C C 13 175.858 0.000 . 1 . . . . . 15 GLN C . 50213 3
50 . 2 . 2 15 15 GLN N N 15 119.518 0.000 . 1 . . . . . 15 GLN N . 50213 3
51 . 2 . 2 16 16 LYS H H 1 8.221 0.000 . 1 . . . . . 16 LYS H . 50213 3
52 . 2 . 2 16 16 LYS C C 13 176.580 0.000 . 1 . . . . . 16 LYS C . 50213 3
53 . 2 . 2 16 16 LYS CA C 13 56.125 0.000 . 1 . . . . . 16 LYS CA . 50213 3
54 . 2 . 2 16 16 LYS CB C 13 31.986 0.000 . 1 . . . . . 16 LYS CB . 50213 3
55 . 2 . 2 16 16 LYS N N 15 123.260 0.000 . 1 . . . . . 16 LYS N . 50213 3
56 . 2 . 2 17 17 GLU H H 1 8.317 0.000 . 1 . . . . . 17 GLU H . 50213 3
57 . 2 . 2 17 17 GLU C C 13 176.207 0.000 . 1 . . . . . 17 GLU C . 50213 3
58 . 2 . 2 17 17 GLU CA C 13 56.117 0.000 . 1 . . . . . 17 GLU CA . 50213 3
59 . 2 . 2 17 17 GLU CB C 13 29.280 0.000 . 1 . . . . . 17 GLU CB . 50213 3
60 . 2 . 2 17 17 GLU N N 15 122.401 0.000 . 1 . . . . . 17 GLU N . 50213 3
61 . 2 . 2 18 18 ALA H H 1 8.190 0.000 . 1 . . . . . 18 ALA H . 50213 3
62 . 2 . 2 18 18 ALA C C 13 177.507 0.000 . 1 . . . . . 18 ALA C . 50213 3
63 . 2 . 2 18 18 ALA CA C 13 52.057 0.000 . 1 . . . . . 18 ALA CA . 50213 3
64 . 2 . 2 18 18 ALA CB C 13 18.325 0.000 . 1 . . . . . 18 ALA CB . 50213 3
65 . 2 . 2 18 18 ALA N N 15 125.583 0.000 . 1 . . . . . 18 ALA N . 50213 3
66 . 2 . 2 19 19 ALA H H 1 8.155 0.000 . 1 . . . . . 19 ALA H . 50213 3
67 . 2 . 2 19 19 ALA C C 13 178.065 0.000 . 1 . . . . . 19 ALA C . 50213 3
68 . 2 . 2 19 19 ALA CA C 13 52.164 0.000 . 1 . . . . . 19 ALA CA . 50213 3
69 . 2 . 2 19 19 ALA N N 15 123.437 0.000 . 1 . . . . . 19 ALA N . 50213 3
70 . 2 . 2 20 20 THR H H 1 7.986 0.000 . 1 . . . . . 20 THR H . 50213 3
71 . 2 . 2 20 20 THR C C 13 174.771 0.000 . 1 . . . . . 20 THR C . 50213 3
72 . 2 . 2 20 20 THR CA C 13 61.426 0.000 . 1 . . . . . 20 THR CA . 50213 3
73 . 2 . 2 20 20 THR CB C 13 69.130 0.000 . 1 . . . . . 20 THR CB . 50213 3
74 . 2 . 2 20 20 THR N N 15 113.351 0.000 . 1 . . . . . 20 THR N . 50213 3
75 . 2 . 2 21 21 THR H H 1 7.943 0.000 . 1 . . . . . 21 THR H . 50213 3
76 . 2 . 2 21 21 THR C C 13 174.275 0.000 . 1 . . . . . 21 THR C . 50213 3
77 . 2 . 2 21 21 THR N N 15 116.414 0.000 . 1 . . . . . 21 THR N . 50213 3
78 . 2 . 2 22 22 ALA H H 1 8.136 0.000 . 1 . . . . . 22 ALA H . 50213 3
79 . 2 . 2 22 22 ALA C C 13 177.488 0.000 . 1 . . . . . 22 ALA C . 50213 3
80 . 2 . 2 22 22 ALA CA C 13 52.118 0.000 . 1 . . . . . 22 ALA CA . 50213 3
81 . 2 . 2 22 22 ALA CB C 13 18.339 0.000 . 1 . . . . . 22 ALA CB . 50213 3
82 . 2 . 2 22 22 ALA N N 15 126.833 0.000 . 1 . . . . . 22 ALA N . 50213 3
83 . 2 . 2 23 23 LYS H H 1 8.173 0.000 . 1 . . . . . 23 LYS H . 50213 3
84 . 2 . 2 23 23 LYS C C 13 176.704 0.000 . 1 . . . . . 23 LYS C . 50213 3
85 . 2 . 2 23 23 LYS CA C 13 55.809 0.000 . 1 . . . . . 23 LYS CA . 50213 3
86 . 2 . 2 23 23 LYS CB C 13 31.966 0.000 . 1 . . . . . 23 LYS CB . 50213 3
87 . 2 . 2 23 23 LYS N N 15 121.110 0.000 . 1 . . . . . 23 LYS N . 50213 3
88 . 2 . 2 24 24 THR H H 1 7.991 0.000 . 1 . . . . . 24 THR H . 50213 3
89 . 2 . 2 24 24 THR C C 13 174.275 0.000 . 1 . . . . . 24 THR C . 50213 3
90 . 2 . 2 24 24 THR CA C 13 61.062 0.000 . 1 . . . . . 24 THR CA . 50213 3
91 . 2 . 2 24 24 THR CB C 13 69.321 0.000 . 1 . . . . . 24 THR CB . 50213 3
92 . 2 . 2 24 24 THR N N 15 115.434 0.000 . 1 . . . . . 24 THR N . 50213 3
93 . 2 . 2 25 25 THR H H 1 8.126 0.000 . 1 . . . . . 25 THR H . 50213 3
94 . 2 . 2 25 25 THR C C 13 172.702 0.000 . 1 . . . . . 25 THR C . 50213 3
95 . 2 . 2 25 25 THR CA C 13 59.277 0.000 . 1 . . . . . 25 THR CA . 50213 3
96 . 2 . 2 25 25 THR N N 15 119.500 0.000 . 1 . . . . . 25 THR N . 50213 3
97 . 2 . 2 30 30 ALA H H 1 8.125 0.000 . 1 . . . . . 30 ALA H . 50213 3
98 . 2 . 2 30 30 ALA N N 15 126.878 0.000 . 1 . . . . . 30 ALA N . 50213 3
99 . 2 . 2 35 35 ASN H H 1 7.809 0.000 . 1 . . . . . 35 ASN H . 50213 3
100 . 2 . 2 35 35 ASN C C 13 177.692 0.000 . 1 . . . . . 35 ASN C . 50213 3
101 . 2 . 2 35 35 ASN CA C 13 55.539 0.000 . 1 . . . . . 35 ASN CA . 50213 3
102 . 2 . 2 35 35 ASN CB C 13 40.742 0.000 . 1 . . . . . 35 ASN CB . 50213 3
103 . 2 . 2 35 35 ASN N N 15 121.011 0.000 . 1 . . . . . 35 ASN N . 50213 3
104 . 2 . 2 38 38 ALA H H 1 8.027 0.021 . 1 . . . . . 38 ALA H . 50213 3
105 . 2 . 2 38 38 ALA N N 15 124.835 0.040 . 1 . . . . . 38 ALA N . 50213 3
106 . 2 . 2 39 39 GLN H H 1 8.058 0.000 . 1 . . . . . 39 GLN H . 50213 3
107 . 2 . 2 39 39 GLN CA C 13 57.856 0.000 . 1 . . . . . 39 GLN CA . 50213 3
108 . 2 . 2 39 39 GLN N N 15 118.849 0.000 . 1 . . . . . 39 GLN N . 50213 3
109 . 2 . 2 40 40 GLU H H 1 8.234 0.000 . 1 . . . . . 40 GLU H . 50213 3
110 . 2 . 2 40 40 GLU CB C 13 28.560 0.000 . 1 . . . . . 40 GLU CB . 50213 3
111 . 2 . 2 40 40 GLU N N 15 120.629 0.000 . 1 . . . . . 40 GLU N . 50213 3
112 . 2 . 2 41 41 LEU H H 1 7.956 0.000 . 1 . . . . . 41 LEU H . 50213 3
113 . 2 . 2 41 41 LEU N N 15 121.386 0.000 . 1 . . . . . 41 LEU N . 50213 3
114 . 2 . 2 42 42 ALA H H 1 7.922 0.000 . 1 . . . . . 42 ALA H . 50213 3
115 . 2 . 2 42 42 ALA C C 13 178.146 0.000 . 1 . . . . . 42 ALA C . 50213 3
116 . 2 . 2 42 42 ALA CA C 13 52.880 0.000 . 1 . . . . . 42 ALA CA . 50213 3
117 . 2 . 2 42 42 ALA CB C 13 18.056 0.000 . 1 . . . . . 42 ALA CB . 50213 3
118 . 2 . 2 42 42 ALA N N 15 123.364 0.000 . 1 . . . . . 42 ALA N . 50213 3
119 . 2 . 2 44 44 ALA H H 1 7.984 0.000 . 1 . . . . . 44 ALA H . 50213 3
120 . 2 . 2 44 44 ALA N N 15 125.275 0.000 . 1 . . . . . 44 ALA N . 50213 3
121 . 2 . 2 45 45 ASN H H 1 8.108 0.000 . 1 . . . . . 45 ASN H . 50213 3
122 . 2 . 2 45 45 ASN N N 15 117.242 0.000 . 1 . . . . . 45 ASN N . 50213 3
123 . 2 . 2 46 46 ALA C C 13 177.919 0.000 . 1 . . . . . 46 ALA C . 50213 3
124 . 2 . 2 46 46 ALA CA C 13 52.198 0.000 . 1 . . . . . 46 ALA CA . 50213 3
125 . 2 . 2 46 46 ALA CB C 13 18.261 0.000 . 1 . . . . . 46 ALA CB . 50213 3
126 . 2 . 2 47 47 THR H H 1 7.987 0.000 . 1 . . . . . 47 THR H . 50213 3
127 . 2 . 2 47 47 THR C C 13 174.810 0.000 . 1 . . . . . 47 THR C . 50213 3
128 . 2 . 2 47 47 THR CA C 13 61.459 0.000 . 1 . . . . . 47 THR CA . 50213 3
129 . 2 . 2 47 47 THR CB C 13 69.158 0.000 . 1 . . . . . 47 THR CB . 50213 3
130 . 2 . 2 47 47 THR N N 15 114.019 0.000 . 1 . . . . . 47 THR N . 50213 3
131 . 2 . 2 49 49 LEU H H 1 7.873 0.000 . 1 . . . . . 49 LEU H . 50213 3
132 . 2 . 2 49 49 LEU N N 15 116.250 0.000 . 1 . . . . . 49 LEU N . 50213 3
133 . 2 . 2 50 50 VAL H H 1 8.934 0.000 . 1 . . . . . 50 VAL H . 50213 3
134 . 2 . 2 50 50 VAL N N 15 117.484 0.000 . 1 . . . . . 50 VAL N . 50213 3
135 . 2 . 2 51 51 ASN H H 1 8.832 0.000 . 1 . . . . . 51 ASN H . 50213 3
136 . 2 . 2 51 51 ASN N N 15 124.627 0.000 . 1 . . . . . 51 ASN N . 50213 3
137 . 2 . 2 52 52 LYS H H 1 7.448 0.000 . 1 . . . . . 52 LYS H . 50213 3
138 . 2 . 2 52 52 LYS N N 15 115.887 0.000 . 1 . . . . . 52 LYS N . 50213 3
139 . 2 . 2 53 53 ILE H H 1 7.588 0.000 . 1 . . . . . 53 ILE H . 50213 3
140 . 2 . 2 53 53 ILE CA C 13 56.793 0.000 . 1 . . . . . 53 ILE CA . 50213 3
141 . 2 . 2 53 53 ILE N N 15 114.116 0.000 . 1 . . . . . 53 ILE N . 50213 3
142 . 2 . 2 54 54 SER H H 1 8.412 0.000 . 1 . . . . . 54 SER H . 50213 3
143 . 2 . 2 54 54 SER N N 15 118.989 0.000 . 1 . . . . . 54 SER N . 50213 3
144 . 2 . 2 55 55 GLU H H 1 8.726 0.000 . 1 . . . . . 55 GLU H . 50213 3
145 . 2 . 2 55 55 GLU N N 15 124.973 0.000 . 1 . . . . . 55 GLU N . 50213 3
146 . 2 . 2 60 60 LYS H H 1 7.973 0.000 . 1 . . . . . 60 LYS H . 50213 3
147 . 2 . 2 60 60 LYS CA C 13 64.540 0.000 . 1 . . . . . 60 LYS CA . 50213 3
148 . 2 . 2 60 60 LYS CB C 13 37.498 0.000 . 1 . . . . . 60 LYS CB . 50213 3
149 . 2 . 2 60 60 LYS N N 15 118.416 0.000 . 1 . . . . . 60 LYS N . 50213 3
150 . 2 . 2 61 61 CYS H H 1 7.674 0.000 . 1 . . . . . 61 CYS H . 50213 3
151 . 2 . 2 61 61 CYS N N 15 112.733 0.000 . 1 . . . . . 61 CYS N . 50213 3
152 . 2 . 2 62 62 LEU H H 1 7.749 0.000 . 1 . . . . . 62 LEU H . 50213 3
153 . 2 . 2 62 62 LEU CA C 13 53.443 0.000 . 1 . . . . . 62 LEU CA . 50213 3
154 . 2 . 2 62 62 LEU CB C 13 42.519 0.000 . 1 . . . . . 62 LEU CB . 50213 3
155 . 2 . 2 62 62 LEU N N 15 121.840 0.000 . 1 . . . . . 62 LEU N . 50213 3
156 . 2 . 2 63 63 THR H H 1 7.862 0.000 . 1 . . . . . 63 THR H . 50213 3
157 . 2 . 2 63 63 THR C C 13 172.993 0.000 . 1 . . . . . 63 THR C . 50213 3
158 . 2 . 2 63 63 THR CA C 13 59.032 0.000 . 1 . . . . . 63 THR CA . 50213 3
159 . 2 . 2 63 63 THR CB C 13 70.819 0.000 . 1 . . . . . 63 THR CB . 50213 3
160 . 2 . 2 63 63 THR N N 15 113.573 0.000 . 1 . . . . . 63 THR N . 50213 3
161 . 2 . 2 64 64 SER H H 1 8.128 0.000 . 1 . . . . . 64 SER H . 50213 3
162 . 2 . 2 64 64 SER CA C 13 56.016 0.000 . 1 . . . . . 64 SER CA . 50213 3
163 . 2 . 2 64 64 SER CB C 13 62.084 0.000 . 1 . . . . . 64 SER CB . 50213 3
164 . 2 . 2 64 64 SER N N 15 120.334 0.000 . 1 . . . . . 64 SER N . 50213 3
165 . 2 . 2 66 66 TYR H H 1 8.949 0.000 . 1 . . . . . 66 TYR H . 50213 3
166 . 2 . 2 66 66 TYR C C 13 174.499 0.000 . 1 . . . . . 66 TYR C . 50213 3
167 . 2 . 2 66 66 TYR CA C 13 59.939 0.000 . 1 . . . . . 66 TYR CA . 50213 3
168 . 2 . 2 66 66 TYR CB C 13 32.690 0.000 . 1 . . . . . 66 TYR CB . 50213 3
169 . 2 . 2 66 66 TYR N N 15 118.953 0.000 . 1 . . . . . 66 TYR N . 50213 3
170 . 2 . 2 67 67 ALA H H 1 7.908 0.000 . 1 . . . . . 67 ALA H . 50213 3
171 . 2 . 2 67 67 ALA C C 13 177.774 0.000 . 1 . . . . . 67 ALA C . 50213 3
172 . 2 . 2 67 67 ALA CA C 13 53.130 0.000 . 1 . . . . . 67 ALA CA . 50213 3
173 . 2 . 2 67 67 ALA CB C 13 18.895 0.000 . 1 . . . . . 67 ALA CB . 50213 3
174 . 2 . 2 67 67 ALA N N 15 119.999 0.000 . 1 . . . . . 67 ALA N . 50213 3
175 . 2 . 2 68 68 THR H H 1 7.632 0.000 . 1 . . . . . 68 THR H . 50213 3
176 . 2 . 2 68 68 THR C C 13 173.557 0.000 . 1 . . . . . 68 THR C . 50213 3
177 . 2 . 2 68 68 THR CA C 13 59.784 0.000 . 1 . . . . . 68 THR CA . 50213 3
178 . 2 . 2 68 68 THR CB C 13 70.312 0.000 . 1 . . . . . 68 THR CB . 50213 3
179 . 2 . 2 68 68 THR N N 15 110.593 0.000 . 1 . . . . . 68 THR N . 50213 3
180 . 2 . 2 69 69 ARG H H 1 8.331 0.000 . 1 . . . . . 69 ARG H . 50213 3
181 . 2 . 2 69 69 ARG C C 13 175.738 0.000 . 1 . . . . . 69 ARG C . 50213 3
182 . 2 . 2 69 69 ARG CA C 13 56.106 0.000 . 1 . . . . . 69 ARG CA . 50213 3
183 . 2 . 2 69 69 ARG N N 15 122.711 0.000 . 1 . . . . . 69 ARG N . 50213 3
184 . 2 . 2 70 70 ASN H H 1 8.781 0.000 . 1 . . . . . 70 ASN H . 50213 3
185 . 2 . 2 70 70 ASN C C 13 174.771 0.000 . 1 . . . . . 70 ASN C . 50213 3
186 . 2 . 2 70 70 ASN CA C 13 51.113 0.000 . 1 . . . . . 70 ASN CA . 50213 3
187 . 2 . 2 70 70 ASN N N 15 120.393 0.000 . 1 . . . . . 70 ASN N . 50213 3
188 . 2 . 2 71 71 ASP H H 1 8.251 0.000 . 1 . . . . . 71 ASP H . 50213 3
189 . 2 . 2 71 71 ASP C C 13 177.281 0.000 . 1 . . . . . 71 ASP C . 50213 3
190 . 2 . 2 71 71 ASP CA C 13 57.821 0.000 . 1 . . . . . 71 ASP CA . 50213 3
191 . 2 . 2 71 71 ASP CB C 13 39.421 0.000 . 1 . . . . . 71 ASP CB . 50213 3
192 . 2 . 2 71 71 ASP N N 15 122.997 0.000 . 1 . . . . . 71 ASP N . 50213 3
193 . 2 . 2 72 72 ALA H H 1 8.394 0.000 . 1 . . . . . 72 ALA H . 50213 3
194 . 2 . 2 72 72 ALA C C 13 179.782 0.000 . 1 . . . . . 72 ALA C . 50213 3
195 . 2 . 2 72 72 ALA CA C 13 54.668 0.000 . 1 . . . . . 72 ALA CA . 50213 3
196 . 2 . 2 72 72 ALA CB C 13 16.897 0.000 . 1 . . . . . 72 ALA CB . 50213 3
197 . 2 . 2 72 72 ALA N N 15 120.049 0.000 . 1 . . . . . 72 ALA N . 50213 3
198 . 2 . 2 73 73 CYS H H 1 6.847 0.000 . 1 . . . . . 73 CYS H . 50213 3
199 . 2 . 2 73 73 CYS CA C 13 58.844 0.000 . 1 . . . . . 73 CYS CA . 50213 3
200 . 2 . 2 73 73 CYS N N 15 116.196 0.000 . 1 . . . . . 73 CYS N . 50213 3
201 . 2 . 2 74 74 ILE H H 1 7.602 0.000 . 1 . . . . . 74 ILE H . 50213 3
202 . 2 . 2 74 74 ILE N N 15 121.082 0.000 . 1 . . . . . 74 ILE N . 50213 3
203 . 2 . 2 76 76 GLN H H 1 8.233 0.000 . 1 . . . . . 76 GLN H . 50213 3
204 . 2 . 2 76 76 GLN N N 15 119.942 0.000 . 1 . . . . . 76 GLN N . 50213 3
205 . 2 . 2 78 78 LEU H H 1 7.835 0.000 . 1 . . . . . 78 LEU H . 50213 3
206 . 2 . 2 78 78 LEU C C 13 177.602 0.000 . 1 . . . . . 78 LEU C . 50213 3
207 . 2 . 2 78 78 LEU CA C 13 55.441 0.000 . 1 . . . . . 78 LEU CA . 50213 3
208 . 2 . 2 78 78 LEU N N 15 121.319 0.000 . 1 . . . . . 78 LEU N . 50213 3
209 . 2 . 2 79 79 ALA H H 1 8.026 0.000 . 1 . . . . . 79 ALA H . 50213 3
210 . 2 . 2 79 79 ALA C C 13 178.035 0.000 . 1 . . . . . 79 ALA C . 50213 3
211 . 2 . 2 79 79 ALA CA C 13 52.574 0.000 . 1 . . . . . 79 ALA CA . 50213 3
212 . 2 . 2 79 79 ALA CB C 13 18.132 0.000 . 1 . . . . . 79 ALA CB . 50213 3
213 . 2 . 2 79 79 ALA N N 15 123.668 0.000 . 1 . . . . . 79 ALA N . 50213 3
214 . 2 . 2 80 80 LYS H H 1 8.024 0.007 . 1 . . . . . 80 LYS H . 50213 3
215 . 2 . 2 80 80 LYS N N 15 120.958 0.037 . 1 . . . . . 80 LYS N . 50213 3
216 . 2 . 2 81 81 TYR H H 1 9.231 0.000 . 1 . . . . . 81 TYR H . 50213 3
217 . 2 . 2 81 81 TYR N N 15 120.878 0.000 . 1 . . . . . 81 TYR N . 50213 3
218 . 2 . 2 82 82 MET H H 1 8.890 0.000 . 1 . . . . . 82 MET H . 50213 3
219 . 2 . 2 82 82 MET N N 15 122.685 0.000 . 1 . . . . . 82 MET N . 50213 3
220 . 2 . 2 87 87 VAL H H 1 7.958 0.000 . 1 . . . . . 87 VAL H . 50213 3
221 . 2 . 2 87 87 VAL N N 15 117.916 0.000 . 1 . . . . . 87 VAL N . 50213 3
222 . 2 . 2 89 89 SER H H 1 8.577 0.000 . 1 . . . . . 89 SER H . 50213 3
223 . 2 . 2 89 89 SER CA C 13 61.385 0.000 . 1 . . . . . 89 SER CA . 50213 3
224 . 2 . 2 89 89 SER N N 15 115.388 0.000 . 1 . . . . . 89 SER N . 50213 3
225 . 2 . 2 90 90 LYS H H 1 7.599 0.000 . 1 . . . . . 90 LYS H . 50213 3
226 . 2 . 2 90 90 LYS CA C 13 59.057 0.000 . 1 . . . . . 90 LYS CA . 50213 3
227 . 2 . 2 90 90 LYS N N 15 119.402 0.000 . 1 . . . . . 90 LYS N . 50213 3
228 . 2 . 2 91 91 ALA H H 1 7.918 0.000 . 1 . . . . . 91 ALA H . 50213 3
229 . 2 . 2 91 91 ALA C C 13 180.003 0.000 . 1 . . . . . 91 ALA C . 50213 3
230 . 2 . 2 91 91 ALA CA C 13 54.332 0.000 . 1 . . . . . 91 ALA CA . 50213 3
231 . 2 . 2 91 91 ALA CB C 13 17.513 0.000 . 1 . . . . . 91 ALA CB . 50213 3
232 . 2 . 2 91 91 ALA N N 15 122.406 0.000 . 1 . . . . . 91 ALA N . 50213 3
233 . 2 . 2 92 92 TYR H H 1 8.864 0.000 . 1 . . . . . 92 TYR H . 50213 3
234 . 2 . 2 92 92 TYR CA C 13 60.951 0.000 . 1 . . . . . 92 TYR CA . 50213 3
235 . 2 . 2 92 92 TYR CB C 13 38.308 0.000 . 1 . . . . . 92 TYR CB . 50213 3
236 . 2 . 2 92 92 TYR N N 15 120.441 0.000 . 1 . . . . . 92 TYR N . 50213 3
237 . 2 . 2 93 93 ILE H H 1 8.493 0.000 . 1 . . . . . 93 ILE H . 50213 3
238 . 2 . 2 93 93 ILE C C 13 178.311 0.000 . 1 . . . . . 93 ILE C . 50213 3
239 . 2 . 2 93 93 ILE CA C 13 63.878 0.000 . 1 . . . . . 93 ILE CA . 50213 3
240 . 2 . 2 93 93 ILE N N 15 118.548 0.000 . 1 . . . . . 93 ILE N . 50213 3
241 . 2 . 2 94 94 SER H H 1 7.736 0.000 . 1 . . . . . 94 SER H . 50213 3
242 . 2 . 2 94 94 SER C C 13 176.187 0.000 . 1 . . . . . 94 SER C . 50213 3
243 . 2 . 2 94 94 SER CA C 13 61.254 0.000 . 1 . . . . . 94 SER CA . 50213 3
244 . 2 . 2 94 94 SER CB C 13 62.294 0.000 . 1 . . . . . 94 SER CB . 50213 3
245 . 2 . 2 94 94 SER N N 15 113.947 0.000 . 1 . . . . . 94 SER N . 50213 3
246 . 2 . 2 95 95 ARG H H 1 7.373 0.000 . 1 . . . . . 95 ARG H . 50213 3
247 . 2 . 2 95 95 ARG C C 13 178.629 0.000 . 1 . . . . . 95 ARG C . 50213 3
248 . 2 . 2 95 95 ARG CA C 13 56.902 0.000 . 1 . . . . . 95 ARG CA . 50213 3
249 . 2 . 2 95 95 ARG N N 15 120.937 0.000 . 1 . . . . . 95 ARG N . 50213 3
250 . 2 . 2 96 96 ILE H H 1 7.796 0.000 . 1 . . . . . 96 ILE H . 50213 3
251 . 2 . 2 96 96 ILE CA C 13 62.761 0.000 . 1 . . . . . 96 ILE CA . 50213 3
252 . 2 . 2 96 96 ILE CB C 13 36.513 0.000 . 1 . . . . . 96 ILE CB . 50213 3
253 . 2 . 2 96 96 ILE N N 15 117.707 0.000 . 1 . . . . . 96 ILE N . 50213 3
254 . 2 . 2 97 97 GLN H H 1 8.008 0.000 . 1 . . . . . 97 GLN H . 50213 3
255 . 2 . 2 97 97 GLN C C 13 176.800 0.000 . 1 . . . . . 97 GLN C . 50213 3
256 . 2 . 2 97 97 GLN CA C 13 56.982 0.000 . 1 . . . . . 97 GLN CA . 50213 3
257 . 2 . 2 97 97 GLN CB C 13 27.816 0.000 . 1 . . . . . 97 GLN CB . 50213 3
258 . 2 . 2 97 97 GLN N N 15 120.247 0.000 . 1 . . . . . 97 GLN N . 50213 3
259 . 2 . 2 98 98 ASN H H 1 7.851 0.000 . 1 . . . . . 98 ASN H . 50213 3
260 . 2 . 2 98 98 ASN C C 13 175.385 0.000 . 1 . . . . . 98 ASN C . 50213 3
261 . 2 . 2 98 98 ASN CA C 13 53.484 0.000 . 1 . . . . . 98 ASN CA . 50213 3
262 . 2 . 2 98 98 ASN CB C 13 38.276 0.000 . 1 . . . . . 98 ASN CB . 50213 3
263 . 2 . 2 98 98 ASN N N 15 118.138 0.000 . 1 . . . . . 98 ASN N . 50213 3
264 . 2 . 2 99 99 ALA H H 1 7.931 0.000 . 1 . . . . . 99 ALA H . 50213 3
265 . 2 . 2 99 99 ALA C C 13 178.074 0.000 . 1 . . . . . 99 ALA C . 50213 3
266 . 2 . 2 99 99 ALA CA C 13 52.877 0.000 . 1 . . . . . 99 ALA CA . 50213 3
267 . 2 . 2 99 99 ALA CB C 13 18.215 0.000 . 1 . . . . . 99 ALA CB . 50213 3
268 . 2 . 2 99 99 ALA N N 15 123.971 0.000 . 1 . . . . . 99 ALA N . 50213 3
269 . 2 . 2 100 100 SER H H 1 8.052 0.000 . 1 . . . . . 100 SER H . 50213 3
270 . 2 . 2 100 100 SER C C 13 174.771 0.000 . 1 . . . . . 100 SER C . 50213 3
271 . 2 . 2 100 100 SER CA C 13 58.293 0.000 . 1 . . . . . 100 SER CA . 50213 3
272 . 2 . 2 100 100 SER CB C 13 62.999 0.000 . 1 . . . . . 100 SER CB . 50213 3
273 . 2 . 2 100 100 SER N N 15 114.494 0.000 . 1 . . . . . 100 SER N . 50213 3
274 . 2 . 2 101 101 ALA H H 1 8.076 0.000 . 1 . . . . . 101 ALA H . 50213 3
275 . 2 . 2 101 101 ALA C C 13 177.895 0.000 . 1 . . . . . 101 ALA C . 50213 3
276 . 2 . 2 101 101 ALA CA C 13 52.478 0.000 . 1 . . . . . 101 ALA CA . 50213 3
277 . 2 . 2 101 101 ALA CB C 13 18.184 0.000 . 1 . . . . . 101 ALA CB . 50213 3
278 . 2 . 2 101 101 ALA N N 15 125.888 0.000 . 1 . . . . . 101 ALA N . 50213 3
279 . 2 . 2 102 102 SER H H 1 8.066 0.000 . 1 . . . . . 102 SER H . 50213 3
280 . 2 . 2 102 102 SER C C 13 175.006 0.000 . 1 . . . . . 102 SER C . 50213 3
281 . 2 . 2 102 102 SER CA C 13 58.124 0.000 . 1 . . . . . 102 SER CA . 50213 3
282 . 2 . 2 102 102 SER CB C 13 63.165 0.000 . 1 . . . . . 102 SER CB . 50213 3
283 . 2 . 2 102 102 SER N N 15 114.369 0.000 . 1 . . . . . 102 SER N . 50213 3
284 . 2 . 2 103 103 GLY H H 1 8.128 0.000 . 1 . . . . . 103 GLY H . 50213 3
285 . 2 . 2 103 103 GLY C C 13 173.841 0.000 . 1 . . . . . 103 GLY C . 50213 3
286 . 2 . 2 103 103 GLY CA C 13 44.903 0.000 . 1 . . . . . 103 GLY CA . 50213 3
287 . 2 . 2 103 103 GLY N N 15 111.033 0.000 . 1 . . . . . 103 GLY N . 50213 3
288 . 2 . 2 104 104 GLU H H 1 8.067 0.000 . 1 . . . . . 104 GLU H . 50213 3
289 . 2 . 2 104 104 GLU C C 13 175.454 0.000 . 1 . . . . . 104 GLU C . 50213 3
290 . 2 . 2 104 104 GLU CA C 13 56.172 0.000 . 1 . . . . . 104 GLU CA . 50213 3
291 . 2 . 2 104 104 GLU CB C 13 29.538 0.000 . 1 . . . . . 104 GLU CB . 50213 3
292 . 2 . 2 104 104 GLU N N 15 121.327 0.000 . 1 . . . . . 104 GLU N . 50213 3
293 . 2 . 2 105 105 ILE H H 1 7.562 0.000 . 1 . . . . . 105 ILE H . 50213 3
294 . 2 . 2 105 105 ILE C C 13 180.833 0.000 . 1 . . . . . 105 ILE C . 50213 3
295 . 2 . 2 105 105 ILE CA C 13 62.308 0.000 . 1 . . . . . 105 ILE CA . 50213 3
296 . 2 . 2 105 105 ILE CB C 13 38.719 0.000 . 1 . . . . . 105 ILE CB . 50213 3
297 . 2 . 2 105 105 ILE N N 15 125.699 0.000 . 1 . . . . . 105 ILE N . 50213 3
stop_
save_