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 50799
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Backbone assignment of alpha-crystallin domain of IbpB from E.coli'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 50799 1
5 '3D HNCA' . . . 50799 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
2 $software_2 . . 50799 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 10 10 TYR H H 1 7.494 0.020 . 1 . . . . . 35 TYR HN . 50799 1
2 . 1 . 1 10 10 TYR C C 13 173.020 0.3 . 1 . . . . . 35 TYR C . 50799 1
3 . 1 . 1 10 10 TYR CA C 13 55.948 0.3 . 1 . . . . . 35 TYR CA . 50799 1
4 . 1 . 1 10 10 TYR N N 15 114.921 0.3 . 1 . . . . . 35 TYR N . 50799 1
5 . 1 . 1 11 11 ASN H H 1 9.236 0.020 . 1 . . . . . 36 ASN HN . 50799 1
6 . 1 . 1 11 11 ASN C C 13 175.947 0.3 . 1 . . . . . 36 ASN C . 50799 1
7 . 1 . 1 11 11 ASN CA C 13 51.133 0.3 . 1 . . . . . 36 ASN CA . 50799 1
8 . 1 . 1 11 11 ASN N N 15 115.118 0.3 . 1 . . . . . 36 ASN N . 50799 1
9 . 1 . 1 12 12 ILE H H 1 9.401 0.020 . 1 . . . . . 37 ILE HN . 50799 1
10 . 1 . 1 12 12 ILE C C 13 175.250 0.3 . 1 . . . . . 37 ILE C . 50799 1
11 . 1 . 1 12 12 ILE CA C 13 62.370 0.3 . 1 . . . . . 37 ILE CA . 50799 1
12 . 1 . 1 12 12 ILE N N 15 117.682 0.3 . 1 . . . . . 37 ILE N . 50799 1
13 . 1 . 1 13 13 GLU H H 1 9.691 0.020 . 1 . . . . . 38 GLU HN . 50799 1
14 . 1 . 1 13 13 GLU CA C 13 54.690 0.3 . 1 . . . . . 38 GLU CA . 50799 1
15 . 1 . 1 13 13 GLU CB C 13 34.190 0.3 . 1 . . . . . 38 GLU CB . 50799 1
16 . 1 . 1 13 13 GLU N N 15 129.329 0.3 . 1 . . . . . 38 GLU N . 50799 1
17 . 1 . 1 15 15 SER H H 1 8.050 0.020 . 1 . . . . . 40 SER HN . 50799 1
18 . 1 . 1 15 15 SER C C 13 172.943 0.3 . 1 . . . . . 40 SER C . 50799 1
19 . 1 . 1 15 15 SER CA C 13 57.964 0.3 . 1 . . . . . 40 SER CA . 50799 1
20 . 1 . 1 15 15 SER N N 15 117.564 0.3 . 1 . . . . . 40 SER N . 50799 1
21 . 1 . 1 16 16 ASP H H 1 9.277 0.020 . 1 . . . . . 41 ASP HN . 50799 1
22 . 1 . 1 16 16 ASP CA C 13 54.448 0.3 . 1 . . . . . 41 ASP CA . 50799 1
23 . 1 . 1 16 16 ASP N N 15 128.006 0.3 . 1 . . . . . 41 ASP N . 50799 1
24 . 1 . 1 22 22 ILE H H 1 9.336 0.020 . 1 . . . . . 47 ILE HN . 50799 1
25 . 1 . 1 22 22 ILE C C 13 174.973 0.3 . 1 . . . . . 47 ILE C . 50799 1
26 . 1 . 1 22 22 ILE CA C 13 60.609 0.3 . 1 . . . . . 47 ILE CA . 50799 1
27 . 1 . 1 22 22 ILE N N 15 129.410 0.3 . 1 . . . . . 47 ILE N . 50799 1
28 . 1 . 1 23 23 THR H H 1 9.143 0.020 . 1 . . . . . 48 THR HN . 50799 1
29 . 1 . 1 23 23 THR C C 13 174.091 0.3 . 1 . . . . . 48 THR C . 50799 1
30 . 1 . 1 23 23 THR CA C 13 61.710 0.3 . 1 . . . . . 48 THR CA . 50799 1
31 . 1 . 1 23 23 THR N N 15 124.900 0.3 . 1 . . . . . 48 THR N . 50799 1
32 . 1 . 1 24 24 LEU H H 1 9.407 0.020 . 1 . . . . . 49 LEU HN . 50799 1
33 . 1 . 1 24 24 LEU C C 13 175.239 0.3 . 1 . . . . . 49 LEU C . 50799 1
34 . 1 . 1 24 24 LEU CA C 13 54.405 0.3 . 1 . . . . . 49 LEU CA . 50799 1
35 . 1 . 1 24 24 LEU N N 15 125.088 0.3 . 1 . . . . . 49 LEU N . 50799 1
36 . 1 . 1 25 25 ALA H H 1 7.872 0.020 . 1 . . . . . 50 ALA HN . 50799 1
37 . 1 . 1 25 25 ALA C C 13 175.550 0.3 . 1 . . . . . 50 ALA C . 50799 1
38 . 1 . 1 25 25 ALA CA C 13 52.734 0.3 . 1 . . . . . 50 ALA CA . 50799 1
39 . 1 . 1 25 25 ALA N N 15 124.648 0.3 . 1 . . . . . 50 ALA N . 50799 1
40 . 1 . 1 26 26 LEU H H 1 8.701 0.020 . 1 . . . . . 51 LEU HN . 50799 1
41 . 1 . 1 26 26 LEU C C 13 175.855 0.3 . 1 . . . . . 51 LEU C . 50799 1
42 . 1 . 1 26 26 LEU CA C 13 52.494 0.3 . 1 . . . . . 51 LEU CA . 50799 1
43 . 1 . 1 26 26 LEU N N 15 129.350 0.3 . 1 . . . . . 51 LEU N . 50799 1
44 . 1 . 1 27 27 ALA H H 1 7.967 0.020 . 1 . . . . . 52 ALA HN . 50799 1
45 . 1 . 1 27 27 ALA C C 13 180.099 0.3 . 1 . . . . . 52 ALA C . 50799 1
46 . 1 . 1 27 27 ALA CA C 13 54.054 0.3 . 1 . . . . . 52 ALA CA . 50799 1
47 . 1 . 1 27 27 ALA N N 15 121.659 0.3 . 1 . . . . . 52 ALA N . 50799 1
48 . 1 . 1 28 28 GLY H H 1 9.334 0.020 . 1 . . . . . 53 GLY HN . 50799 1
49 . 1 . 1 28 28 GLY C C 13 174.774 0.3 . 1 . . . . . 53 GLY C . 50799 1
50 . 1 . 1 28 28 GLY CA C 13 46.438 0.3 . 1 . . . . . 53 GLY CA . 50799 1
51 . 1 . 1 28 28 GLY N N 15 109.391 0.3 . 1 . . . . . 53 GLY N . 50799 1
52 . 1 . 1 29 29 PHE H H 1 8.276 0.020 . 1 . . . . . 54 PHE HN . 50799 1
53 . 1 . 1 29 29 PHE C C 13 173.785 0.3 . 1 . . . . . 54 PHE C . 50799 1
54 . 1 . 1 29 29 PHE CA C 13 58.948 0.3 . 1 . . . . . 54 PHE CA . 50799 1
55 . 1 . 1 29 29 PHE CB C 13 40.353 0.3 . 1 . . . . . 54 PHE CB . 50799 1
56 . 1 . 1 29 29 PHE N N 15 120.744 0.3 . 1 . . . . . 54 PHE N . 50799 1
57 . 1 . 1 30 30 ARG H H 1 8.839 0.020 . 1 . . . . . 55 ARG HN . 50799 1
58 . 1 . 1 30 30 ARG C C 13 178.282 0.3 . 1 . . . . . 55 ARG C . 50799 1
59 . 1 . 1 30 30 ARG CA C 13 54.437 0.3 . 1 . . . . . 55 ARG CA . 50799 1
60 . 1 . 1 30 30 ARG CB C 13 32.136 0.3 . 1 . . . . . 55 ARG CB . 50799 1
61 . 1 . 1 30 30 ARG N N 15 117.138 0.3 . 1 . . . . . 55 ARG N . 50799 1
62 . 1 . 1 31 31 GLN H H 1 9.007 0.020 . 1 . . . . . 56 GLN HN . 50799 1
63 . 1 . 1 31 31 GLN C C 13 178.382 0.3 . 1 . . . . . 56 GLN C . 50799 1
64 . 1 . 1 31 31 GLN CA C 13 60.261 0.3 . 1 . . . . . 56 GLN CA . 50799 1
65 . 1 . 1 31 31 GLN CB C 13 28.581 0.3 . 1 . . . . . 56 GLN CB . 50799 1
66 . 1 . 1 31 31 GLN N N 15 123.072 0.3 . 1 . . . . . 56 GLN N . 50799 1
67 . 1 . 1 32 32 GLU H H 1 9.618 0.020 . 1 . . . . . 57 GLU HN . 50799 1
68 . 1 . 1 32 32 GLU C C 13 176.679 0.3 . 1 . . . . . 57 GLU C . 50799 1
69 . 1 . 1 32 32 GLU CA C 13 59.242 0.3 . 1 . . . . . 57 GLU CA . 50799 1
70 . 1 . 1 32 32 GLU N N 15 115.474 0.3 . 1 . . . . . 57 GLU N . 50799 1
71 . 1 . 1 33 33 ASP H H 1 7.769 0.020 . 1 . . . . . 58 ASP HN . 50799 1
72 . 1 . 1 33 33 ASP C C 13 175.434 0.3 . 1 . . . . . 58 ASP C . 50799 1
73 . 1 . 1 33 33 ASP CA C 13 55.609 0.3 . 1 . . . . . 58 ASP CA . 50799 1
74 . 1 . 1 33 33 ASP CB C 13 43.427 0.3 . 1 . . . . . 58 ASP CB . 50799 1
75 . 1 . 1 33 33 ASP N N 15 119.305 0.3 . 1 . . . . . 58 ASP N . 50799 1
76 . 1 . 1 34 34 LEU H H 1 7.410 0.020 . 1 . . . . . 59 LEU HN . 50799 1
77 . 1 . 1 34 34 LEU C C 13 176.386 0.3 . 1 . . . . . 59 LEU C . 50799 1
78 . 1 . 1 34 34 LEU CA C 13 53.728 0.3 . 1 . . . . . 59 LEU CA . 50799 1
79 . 1 . 1 34 34 LEU CB C 13 45.049 0.3 . 1 . . . . . 59 LEU CB . 50799 1
80 . 1 . 1 34 34 LEU N N 15 119.928 0.3 . 1 . . . . . 59 LEU N . 50799 1
81 . 1 . 1 35 35 GLU H H 1 8.903 0.020 . 1 . . . . . 60 GLU HN . 50799 1
82 . 1 . 1 35 35 GLU C C 13 174.973 0.3 . 1 . . . . . 60 GLU C . 50799 1
83 . 1 . 1 35 35 GLU CA C 13 55.918 0.3 . 1 . . . . . 60 GLU CA . 50799 1
84 . 1 . 1 35 35 GLU CB C 13 33.953 0.3 . 1 . . . . . 60 GLU CB . 50799 1
85 . 1 . 1 35 35 GLU N N 15 121.826 0.3 . 1 . . . . . 60 GLU N . 50799 1
86 . 1 . 1 36 36 ILE H H 1 8.664 0.020 . 1 . . . . . 61 ILE HN . 50799 1
87 . 1 . 1 36 36 ILE C C 13 175.430 0.3 . 1 . . . . . 61 ILE C . 50799 1
88 . 1 . 1 36 36 ILE CA C 13 60.924 0.3 . 1 . . . . . 61 ILE CA . 50799 1
89 . 1 . 1 36 36 ILE N N 15 126.717 0.3 . 1 . . . . . 61 ILE N . 50799 1
90 . 1 . 1 37 37 GLN H H 1 9.033 0.020 . 1 . . . . . 62 GLN HN . 50799 1
91 . 1 . 1 37 37 GLN CA C 13 55.075 0.3 . 1 . . . . . 62 GLN CA . 50799 1
92 . 1 . 1 37 37 GLN CB C 13 33.396 0.3 . 1 . . . . . 62 GLN CB . 50799 1
93 . 1 . 1 37 37 GLN N N 15 126.155 0.3 . 1 . . . . . 62 GLN N . 50799 1
94 . 1 . 1 41 41 THR H H 1 8.325 0.020 . 1 . . . . . 66 THR HN . 50799 1
95 . 1 . 1 41 41 THR C C 13 172.978 0.3 . 1 . . . . . 66 THR C . 50799 1
96 . 1 . 1 41 41 THR CA C 13 61.419 0.3 . 1 . . . . . 66 THR CA . 50799 1
97 . 1 . 1 41 41 THR N N 15 116.353 0.3 . 1 . . . . . 66 THR N . 50799 1
98 . 1 . 1 42 42 ARG H H 1 8.092 0.020 . 1 . . . . . 67 ARG HN . 50799 1
99 . 1 . 1 42 42 ARG C C 13 174.609 0.3 . 1 . . . . . 67 ARG C . 50799 1
100 . 1 . 1 42 42 ARG CA C 13 55.640 0.3 . 1 . . . . . 67 ARG CA . 50799 1
101 . 1 . 1 42 42 ARG CB C 13 32.610 0.3 . 1 . . . . . 67 ARG CB . 50799 1
102 . 1 . 1 42 42 ARG N N 15 122.225 0.3 . 1 . . . . . 67 ARG N . 50799 1
103 . 1 . 1 43 43 LEU H H 1 8.964 0.020 . 1 . . . . . 68 LEU HN . 50799 1
104 . 1 . 1 43 43 LEU C C 13 175.104 0.3 . 1 . . . . . 68 LEU C . 50799 1
105 . 1 . 1 43 43 LEU CA C 13 53.911 0.3 . 1 . . . . . 68 LEU CA . 50799 1
106 . 1 . 1 43 43 LEU N N 15 130.835 0.3 . 1 . . . . . 68 LEU N . 50799 1
107 . 1 . 1 44 44 SER H H 1 9.522 0.020 . 1 . . . . . 69 SER HN . 50799 1
108 . 1 . 1 44 44 SER C C 13 173.113 0.3 . 1 . . . . . 69 SER C . 50799 1
109 . 1 . 1 44 44 SER CA C 13 57.198 0.3 . 1 . . . . . 69 SER CA . 50799 1
110 . 1 . 1 44 44 SER CB C 13 65.712 0.3 . 1 . . . . . 69 SER CB . 50799 1
111 . 1 . 1 44 44 SER N N 15 122.631 0.3 . 1 . . . . . 69 SER N . 50799 1
112 . 1 . 1 45 45 VAL H H 1 8.835 0.020 . 1 . . . . . 70 VAL HN . 50799 1
113 . 1 . 1 45 45 VAL C C 13 173.549 0.3 . 1 . . . . . 70 VAL C . 50799 1
114 . 1 . 1 45 45 VAL CA C 13 61.283 0.3 . 1 . . . . . 70 VAL CA . 50799 1
115 . 1 . 1 45 45 VAL N N 15 124.183 0.3 . 1 . . . . . 70 VAL N . 50799 1
116 . 1 . 1 46 46 LYS H H 1 8.741 0.020 . 1 . . . . . 71 LYS HN . 50799 1
117 . 1 . 1 46 46 LYS C C 13 174.794 0.3 . 1 . . . . . 71 LYS C . 50799 1
118 . 1 . 1 46 46 LYS CA C 13 54.564 0.3 . 1 . . . . . 71 LYS CA . 50799 1
119 . 1 . 1 46 46 LYS N N 15 125.823 0.3 . 1 . . . . . 71 LYS N . 50799 1
120 . 1 . 1 47 47 GLY H H 1 6.981 0.020 . 1 . . . . . 72 GLY HN . 50799 1
121 . 1 . 1 47 47 GLY C C 13 172.685 0.3 . 1 . . . . . 72 GLY C . 50799 1
122 . 1 . 1 47 47 GLY CA C 13 45.861 0.3 . 1 . . . . . 72 GLY CA . 50799 1
123 . 1 . 1 47 47 GLY N N 15 106.823 0.3 . 1 . . . . . 72 GLY N . 50799 1
124 . 1 . 1 48 48 THR H H 1 8.155 0.020 . 1 . . . . . 73 THR HN . 50799 1
125 . 1 . 1 48 48 THR CA C 13 59.788 0.3 . 1 . . . . . 73 THR CA . 50799 1
126 . 1 . 1 48 48 THR CB C 13 71.560 0.3 . 1 . . . . . 73 THR CB . 50799 1
127 . 1 . 1 48 48 THR N N 15 117.484 0.3 . 1 . . . . . 73 THR N . 50799 1
128 . 1 . 1 50 50 GLU H H 1 8.462 0.020 . 1 . . . . . 75 GLU HN . 50799 1
129 . 1 . 1 50 50 GLU C C 13 176.515 0.3 . 1 . . . . . 75 GLU C . 50799 1
130 . 1 . 1 50 50 GLU CA C 13 57.193 0.3 . 1 . . . . . 75 GLU CA . 50799 1
131 . 1 . 1 50 50 GLU CB C 13 30.793 0.3 . 1 . . . . . 75 GLU CB . 50799 1
132 . 1 . 1 50 50 GLU N N 15 122.227 0.3 . 1 . . . . . 75 GLU N . 50799 1
133 . 1 . 1 51 51 GLN H H 1 8.604 0.020 . 1 . . . . . 76 GLN HN . 50799 1
134 . 1 . 1 51 51 GLN CA C 13 53.935 0.3 . 1 . . . . . 76 GLN CA . 50799 1
135 . 1 . 1 51 51 GLN CB C 13 29.208 0.3 . 1 . . . . . 76 GLN CB . 50799 1
136 . 1 . 1 51 51 GLN N N 15 125.777 0.3 . 1 . . . . . 76 GLN N . 50799 1
137 . 1 . 1 61 61 GLN H H 1 8.057 0.020 . 1 . . . . . 86 GLN HN . 50799 1
138 . 1 . 1 61 61 GLN C C 13 173.567 0.3 . 1 . . . . . 86 GLN C . 50799 1
139 . 1 . 1 61 61 GLN CA C 13 54.208 0.3 . 1 . . . . . 86 GLN CA . 50799 1
140 . 1 . 1 61 61 GLN N N 15 121.572 0.3 . 1 . . . . . 86 GLN N . 50799 1
141 . 1 . 1 62 62 GLY H H 1 8.277 0.020 . 1 . . . . . 87 GLY HN . 50799 1
142 . 1 . 1 62 62 GLY C C 13 173.968 0.3 . 1 . . . . . 87 GLY C . 50799 1
143 . 1 . 1 62 62 GLY CA C 13 45.920 0.3 . 1 . . . . . 87 GLY CA . 50799 1
144 . 1 . 1 62 62 GLY N N 15 114.953 0.3 . 1 . . . . . 87 GLY N . 50799 1
145 . 1 . 1 63 63 LEU H H 1 8.145 0.020 . 1 . . . . . 88 LEU HN . 50799 1
146 . 1 . 1 63 63 LEU CA C 13 55.040 0.3 . 1 . . . . . 88 LEU CA . 50799 1
147 . 1 . 1 63 63 LEU N N 15 122.895 0.3 . 1 . . . . . 88 LEU N . 50799 1
148 . 1 . 1 68 68 PHE H H 1 8.434 0.020 . 1 . . . . . 93 PHE HN . 50799 1
149 . 1 . 1 68 68 PHE CA C 13 56.569 0.3 . 1 . . . . . 93 PHE CA . 50799 1
150 . 1 . 1 68 68 PHE CB C 13 43.777 0.3 . 1 . . . . . 93 PHE CB . 50799 1
151 . 1 . 1 68 68 PHE N N 15 116.205 0.3 . 1 . . . . . 93 PHE N . 50799 1
152 . 1 . 1 69 69 SER H H 1 8.997 0.020 . 1 . . . . . 94 SER HN . 50799 1
153 . 1 . 1 69 69 SER CA C 13 55.366 0.3 . 1 . . . . . 94 SER CA . 50799 1
154 . 1 . 1 69 69 SER CB C 13 65.161 0.3 . 1 . . . . . 94 SER CB . 50799 1
155 . 1 . 1 69 69 SER N N 15 121.839 0.3 . 1 . . . . . 94 SER N . 50799 1
156 . 1 . 1 76 76 GLU H H 1 8.089 0.020 . 1 . . . . . 101 GLU HN . 50799 1
157 . 1 . 1 76 76 GLU C C 13 175.975 0.3 . 1 . . . . . 101 GLU C . 50799 1
158 . 1 . 1 76 76 GLU CA C 13 57.535 0.3 . 1 . . . . . 101 GLU CA . 50799 1
159 . 1 . 1 76 76 GLU N N 15 116.645 0.3 . 1 . . . . . 101 GLU N . 50799 1
160 . 1 . 1 77 77 ASN H H 1 8.619 0.020 . 1 . . . . . 102 ASN HN . 50799 1
161 . 1 . 1 77 77 ASN C C 13 174.462 0.3 . 1 . . . . . 102 ASN C . 50799 1
162 . 1 . 1 77 77 ASN CA C 13 54.871 0.3 . 1 . . . . . 102 ASN CA . 50799 1
163 . 1 . 1 77 77 ASN CB C 13 37.867 0.3 . 1 . . . . . 102 ASN CB . 50799 1
164 . 1 . 1 77 77 ASN N N 15 115.069 0.3 . 1 . . . . . 102 ASN N . 50799 1
165 . 1 . 1 78 78 MET H H 1 7.877 0.020 . 1 . . . . . 103 MET HN . 50799 1
166 . 1 . 1 78 78 MET C C 13 175.140 0.3 . 1 . . . . . 103 MET C . 50799 1
167 . 1 . 1 78 78 MET CA C 13 55.151 0.3 . 1 . . . . . 103 MET CA . 50799 1
168 . 1 . 1 78 78 MET N N 15 117.475 0.3 . 1 . . . . . 103 MET N . 50799 1
169 . 1 . 1 79 79 GLU H H 1 8.762 0.020 . 1 . . . . . 104 GLU HN . 50799 1
170 . 1 . 1 79 79 GLU C C 13 175.418 0.3 . 1 . . . . . 104 GLU C . 50799 1
171 . 1 . 1 79 79 GLU CA C 13 54.655 0.3 . 1 . . . . . 104 GLU CA . 50799 1
172 . 1 . 1 79 79 GLU CB C 13 34.190 0.3 . 1 . . . . . 104 GLU CB . 50799 1
173 . 1 . 1 79 79 GLU N N 15 118.709 0.3 . 1 . . . . . 104 GLU N . 50799 1
174 . 1 . 1 80 80 VAL H H 1 8.663 0.020 . 1 . . . . . 105 VAL HN . 50799 1
175 . 1 . 1 80 80 VAL C C 13 176.656 0.3 . 1 . . . . . 105 VAL C . 50799 1
176 . 1 . 1 80 80 VAL CA C 13 63.186 0.3 . 1 . . . . . 105 VAL CA . 50799 1
177 . 1 . 1 80 80 VAL CB C 13 32.452 0.3 . 1 . . . . . 105 VAL CB . 50799 1
178 . 1 . 1 80 80 VAL N N 15 122.372 0.3 . 1 . . . . . 105 VAL N . 50799 1
179 . 1 . 1 81 81 SER H H 1 9.391 0.020 . 1 . . . . . 106 SER HN . 50799 1
180 . 1 . 1 81 81 SER C C 13 175.543 0.3 . 1 . . . . . 106 SER C . 50799 1
181 . 1 . 1 81 81 SER CA C 13 59.112 0.3 . 1 . . . . . 106 SER CA . 50799 1
182 . 1 . 1 81 81 SER CB C 13 64.841 0.3 . 1 . . . . . 106 SER CB . 50799 1
183 . 1 . 1 81 81 SER N N 15 125.728 0.3 . 1 . . . . . 106 SER N . 50799 1
184 . 1 . 1 82 82 GLY H H 1 7.585 0.020 . 1 . . . . . 107 GLY HN . 50799 1
185 . 1 . 1 82 82 GLY C C 13 170.267 0.3 . 1 . . . . . 107 GLY C . 50799 1
186 . 1 . 1 82 82 GLY CA C 13 46.249 0.3 . 1 . . . . . 107 GLY CA . 50799 1
187 . 1 . 1 82 82 GLY N N 15 108.662 0.3 . 1 . . . . . 107 GLY N . 50799 1
188 . 1 . 1 83 83 ALA H H 1 8.166 0.020 . 1 . . . . . 108 ALA HN . 50799 1
189 . 1 . 1 83 83 ALA C C 13 176.771 0.3 . 1 . . . . . 108 ALA C . 50799 1
190 . 1 . 1 83 83 ALA CA C 13 51.511 0.3 . 1 . . . . . 108 ALA CA . 50799 1
191 . 1 . 1 83 83 ALA CB C 13 21.470 0.3 . 1 . . . . . 108 ALA CB . 50799 1
192 . 1 . 1 83 83 ALA N N 15 122.458 0.3 . 1 . . . . . 108 ALA N . 50799 1
193 . 1 . 1 84 84 THR H H 1 8.885 0.020 . 1 . . . . . 109 THR HN . 50799 1
194 . 1 . 1 84 84 THR C C 13 171.934 0.3 . 1 . . . . . 109 THR C . 50799 1
195 . 1 . 1 84 84 THR CA C 13 61.475 0.3 . 1 . . . . . 109 THR CA . 50799 1
196 . 1 . 1 84 84 THR CB C 13 72.509 0.3 . 1 . . . . . 109 THR CB . 50799 1
197 . 1 . 1 84 84 THR N N 15 116.705 0.3 . 1 . . . . . 109 THR N . 50799 1
198 . 1 . 1 85 85 PHE H H 1 8.884 0.020 . 1 . . . . . 110 PHE HN . 50799 1
199 . 1 . 1 85 85 PHE C C 13 175.058 0.3 . 1 . . . . . 110 PHE C . 50799 1
200 . 1 . 1 85 85 PHE CA C 13 55.611 0.3 . 1 . . . . . 110 PHE CA . 50799 1
201 . 1 . 1 85 85 PHE N N 15 127.374 0.3 . 1 . . . . . 110 PHE N . 50799 1
202 . 1 . 1 86 86 VAL H H 1 8.962 0.020 . 1 . . . . . 111 VAL HN . 50799 1
203 . 1 . 1 86 86 VAL CA C 13 61.248 0.3 . 1 . . . . . 111 VAL CA . 50799 1
204 . 1 . 1 86 86 VAL CB C 13 35.134 0.3 . 1 . . . . . 111 VAL CB . 50799 1
205 . 1 . 1 86 86 VAL N N 15 126.006 0.3 . 1 . . . . . 111 VAL N . 50799 1
206 . 1 . 1 88 88 GLY H H 1 8.233 0.020 . 1 . . . . . 113 GLY HN . 50799 1
207 . 1 . 1 88 88 GLY C C 13 170.890 0.3 . 1 . . . . . 113 GLY C . 50799 1
208 . 1 . 1 88 88 GLY CA C 13 46.826 0.3 . 1 . . . . . 113 GLY CA . 50799 1
209 . 1 . 1 88 88 GLY N N 15 103.156 0.3 . 1 . . . . . 113 GLY N . 50799 1
210 . 1 . 1 89 89 LEU H H 1 7.721 0.020 . 1 . . . . . 114 LEU HN . 50799 1
211 . 1 . 1 89 89 LEU C C 13 175.069 0.3 . 1 . . . . . 114 LEU C . 50799 1
212 . 1 . 1 89 89 LEU CA C 13 53.091 0.3 . 1 . . . . . 114 LEU CA . 50799 1
213 . 1 . 1 89 89 LEU N N 15 118.863 0.3 . 1 . . . . . 114 LEU N . 50799 1
214 . 1 . 1 90 90 LEU H H 1 8.750 0.020 . 1 . . . . . 115 LEU HN . 50799 1
215 . 1 . 1 90 90 LEU C C 13 174.697 0.3 . 1 . . . . . 115 LEU C . 50799 1
216 . 1 . 1 90 90 LEU CA C 13 53.431 0.3 . 1 . . . . . 115 LEU CA . 50799 1
217 . 1 . 1 90 90 LEU N N 15 123.862 0.3 . 1 . . . . . 115 LEU N . 50799 1
218 . 1 . 1 91 91 HIS H H 1 9.272 0.020 . 1 . . . . . 116 HIS HN . 50799 1
219 . 1 . 1 91 91 HIS C C 13 175.749 0.3 . 1 . . . . . 116 HIS C . 50799 1
220 . 1 . 1 91 91 HIS CA C 13 54.588 0.3 . 1 . . . . . 116 HIS CA . 50799 1
221 . 1 . 1 91 91 HIS CB C 13 32.524 0.3 . 1 . . . . . 116 HIS CB . 50799 1
222 . 1 . 1 91 91 HIS N N 15 125.579 0.3 . 1 . . . . . 116 HIS N . 50799 1
223 . 1 . 1 92 92 ILE H H 1 9.940 0.020 . 1 . . . . . 117 ILE HN . 50799 1
224 . 1 . 1 92 92 ILE C C 13 174.646 0.3 . 1 . . . . . 117 ILE C . 50799 1
225 . 1 . 1 92 92 ILE CA C 13 61.159 0.3 . 1 . . . . . 117 ILE CA . 50799 1
226 . 1 . 1 92 92 ILE N N 15 125.499 0.3 . 1 . . . . . 117 ILE N . 50799 1
227 . 1 . 1 93 93 ASP H H 1 8.840 0.020 . 1 . . . . . 118 ASP HN . 50799 1
228 . 1 . 1 93 93 ASP C C 13 175.300 0.3 . 1 . . . . . 118 ASP C . 50799 1
229 . 1 . 1 93 93 ASP CA C 13 55.066 0.3 . 1 . . . . . 118 ASP CA . 50799 1
230 . 1 . 1 93 93 ASP N N 15 127.723 0.3 . 1 . . . . . 118 ASP N . 50799 1
231 . 1 . 1 94 94 LEU H H 1 9.230 0.020 . 1 . . . . . 119 LEU HN . 50799 1
232 . 1 . 1 94 94 LEU C C 13 176.221 0.3 . 1 . . . . . 119 LEU C . 50799 1
233 . 1 . 1 94 94 LEU CA C 13 53.980 0.3 . 1 . . . . . 119 LEU CA . 50799 1
234 . 1 . 1 94 94 LEU N N 15 123.112 0.3 . 1 . . . . . 119 LEU N . 50799 1
235 . 1 . 1 95 95 ILE H H 1 8.934 0.020 . 1 . . . . . 120 ILE HN . 50799 1
236 . 1 . 1 95 95 ILE C C 13 174.371 0.3 . 1 . . . . . 120 ILE C . 50799 1
237 . 1 . 1 95 95 ILE CA C 13 59.133 0.3 . 1 . . . . . 120 ILE CA . 50799 1
238 . 1 . 1 95 95 ILE CB C 13 42.878 0.3 . 1 . . . . . 120 ILE CB . 50799 1
239 . 1 . 1 95 95 ILE N N 15 119.515 0.3 . 1 . . . . . 120 ILE N . 50799 1
240 . 1 . 1 96 96 ARG H H 1 8.212 0.020 . 1 . . . . . 121 ARG HN . 50799 1
241 . 1 . 1 96 96 ARG C C 13 174.957 0.3 . 1 . . . . . 121 ARG C . 50799 1
242 . 1 . 1 96 96 ARG CA C 13 55.831 0.3 . 1 . . . . . 121 ARG CA . 50799 1
243 . 1 . 1 96 96 ARG CB C 13 33.005 0.3 . 1 . . . . . 121 ARG CB . 50799 1
244 . 1 . 1 96 96 ARG N N 15 125.433 0.3 . 1 . . . . . 121 ARG N . 50799 1
245 . 1 . 1 97 97 ASN H H 1 8.323 0.020 . 1 . . . . . 122 ASN HN . 50799 1
246 . 1 . 1 97 97 ASN CA C 13 55.071 0.3 . 1 . . . . . 122 ASN CA . 50799 1
247 . 1 . 1 97 97 ASN CB C 13 41.376 0.3 . 1 . . . . . 122 ASN CB . 50799 1
248 . 1 . 1 97 97 ASN N N 15 130.101 0.3 . 1 . . . . . 122 ASN N . 50799 1
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