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 51795
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Shift-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
1 '2D 1H-15N TROSY' . . . 51795 1
2 '3D HNCACB' . . . 51795 1
3 '3D HN(CA)CO' . . . 51795 1
5 '2D 13C-detected N-CO' . . . 51795 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 . . 51795 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 TYR C C 13 174.330 0.003 . 1 . . . . . 3 TYR C . 51795 1
2 . 1 . 1 2 2 TYR N N 15 123.537 0.000 . 1 . . . . . 3 TYR N . 51795 1
3 . 1 . 1 3 3 PRO C C 13 176.813 0.008 . 1 . . . . . 4 PRO C . 51795 1
4 . 1 . 1 3 3 PRO CA C 13 63.524 0.000 . 1 . . . . . 4 PRO CA . 51795 1
5 . 1 . 1 3 3 PRO CB C 13 31.680 0.000 . 1 . . . . . 4 PRO CB . 51795 1
6 . 1 . 1 3 3 PRO CG C 13 26.855 0.000 . 1 . . . . . 4 PRO CG . 51795 1
7 . 1 . 1 3 3 PRO CD C 13 50.618 0.000 . 1 . . . . . 4 PRO CD . 51795 1
8 . 1 . 1 3 3 PRO N N 15 138.627 0.013 . 1 . . . . . 4 PRO N . 51795 1
9 . 1 . 1 4 4 GLY H H 1 7.560 0.000 . 1 . . . . . 5 GLY H . 51795 1
10 . 1 . 1 4 4 GLY C C 13 173.153 0.002 . 1 . . . . . 5 GLY C . 51795 1
11 . 1 . 1 4 4 GLY CA C 13 45.082 0.000 . 1 . . . . . 5 GLY CA . 51795 1
12 . 1 . 1 4 4 GLY N N 15 108.850 0.005 . 1 . . . . . 5 GLY N . 51795 1
13 . 1 . 1 5 5 TYR H H 1 7.571 0.000 . 1 . . . . . 6 TYR H . 51795 1
14 . 1 . 1 5 5 TYR C C 13 173.084 0.002 . 1 . . . . . 6 TYR C . 51795 1
15 . 1 . 1 5 5 TYR CA C 13 55.335 0.000 . 1 . . . . . 6 TYR CA . 51795 1
16 . 1 . 1 5 5 TYR CB C 13 37.958 0.000 . 1 . . . . . 6 TYR CB . 51795 1
17 . 1 . 1 5 5 TYR N N 15 121.283 0.004 . 1 . . . . . 6 TYR N . 51795 1
18 . 1 . 1 6 6 PRO C C 13 173.813 0.004 . 1 . . . . . 7 PRO C . 51795 1
19 . 1 . 1 6 6 PRO N N 15 139.424 0.011 . 1 . . . . . 7 PRO N . 51795 1
20 . 1 . 1 7 7 PRO C C 13 174.797 0.003 . 1 . . . . . 8 PRO C . 51795 1
21 . 1 . 1 7 7 PRO N N 15 136.659 0.017 . 1 . . . . . 8 PRO N . 51795 1
22 . 1 . 1 8 8 PRO C C 13 174.322 0.006 . 1 . . . . . 9 PRO C . 51795 1
23 . 1 . 1 8 8 PRO N N 15 137.040 0.011 . 1 . . . . . 9 PRO N . 51795 1
24 . 1 . 1 9 9 PRO C C 13 177.666 0.007 . 1 . . . . . 10 PRO C . 51795 1
25 . 1 . 1 9 9 PRO CA C 13 63.662 0.000 . 1 . . . . . 10 PRO CA . 51795 1
26 . 1 . 1 9 9 PRO CB C 13 31.523 0.000 . 1 . . . . . 10 PRO CB . 51795 1
27 . 1 . 1 9 9 PRO N N 15 136.811 0.018 . 1 . . . . . 10 PRO N . 51795 1
28 . 1 . 1 10 10 GLY H H 1 8.358 0.000 . 1 . . . . . 11 GLY H . 51795 1
29 . 1 . 1 10 10 GLY C C 13 174.641 0.000 . 1 . . . . . 11 GLY C . 51795 1
30 . 1 . 1 10 10 GLY CA C 13 45.215 0.000 . 1 . . . . . 11 GLY CA . 51795 1
31 . 1 . 1 10 10 GLY N N 15 110.150 0.006 . 1 . . . . . 11 GLY N . 51795 1
32 . 1 . 1 11 11 GLY H H 1 7.959 0.000 . 1 . . . . . 12 GLY H . 51795 1
33 . 1 . 1 11 11 GLY C C 13 173.173 0.000 . 1 . . . . . 12 GLY C . 51795 1
34 . 1 . 1 11 11 GLY CA C 13 44.549 0.000 . 1 . . . . . 12 GLY CA . 51795 1
35 . 1 . 1 11 11 GLY N N 15 109.128 0.000 . 1 . . . . . 12 GLY N . 51795 1
36 . 1 . 1 12 12 TYR H H 1 8.003 0.000 . 1 . . . . . 13 TYR H . 51795 1
37 . 1 . 1 12 12 TYR C C 13 173.829 0.005 . 1 . . . . . 13 TYR C . 51795 1
38 . 1 . 1 12 12 TYR CA C 13 56.534 0.000 . 1 . . . . . 13 TYR CA . 51795 1
39 . 1 . 1 12 12 TYR CB C 13 37.692 0.000 . 1 . . . . . 13 TYR CB . 51795 1
40 . 1 . 1 12 12 TYR N N 15 120.445 0.023 . 1 . . . . . 13 TYR N . 51795 1
41 . 1 . 1 13 13 PRO C C 13 174.525 0.007 . 1 . . . . . 14 PRO C . 51795 1
42 . 1 . 1 13 13 PRO N N 15 139.109 0.017 . 1 . . . . . 14 PRO N . 51795 1
43 . 1 . 1 14 14 PRO C C 13 176.423 0.004 . 1 . . . . . 15 PRO C . 51795 1
44 . 1 . 1 14 14 PRO CA C 13 62.992 0.000 . 1 . . . . . 15 PRO CA . 51795 1
45 . 1 . 1 14 14 PRO CB C 13 31.836 0.000 . 1 . . . . . 15 PRO CB . 51795 1
46 . 1 . 1 14 14 PRO CG C 13 27.106 0.000 . 1 . . . . . 15 PRO CG . 51795 1
47 . 1 . 1 14 14 PRO CD C 13 50.408 0.000 . 1 . . . . . 15 PRO CD . 51795 1
48 . 1 . 1 14 14 PRO N N 15 135.828 0.039 . 1 . . . . . 15 PRO N . 51795 1
49 . 1 . 1 15 15 ALA H H 1 8.113 0.000 . 1 . . . . . 16 ALA H . 51795 1
50 . 1 . 1 15 15 ALA C C 13 176.910 0.006 . 1 . . . . . 16 ALA C . 51795 1
51 . 1 . 1 15 15 ALA CA C 13 52.073 0.000 . 1 . . . . . 16 ALA CA . 51795 1
52 . 1 . 1 15 15 ALA CB C 13 19.249 0.000 . 1 . . . . . 16 ALA CB . 51795 1
53 . 1 . 1 15 15 ALA N N 15 124.452 0.016 . 1 . . . . . 16 ALA N . 51795 1
54 . 1 . 1 16 16 ALA H H 1 8.075 0.000 . 1 . . . . . 17 ALA H . 51795 1
55 . 1 . 1 16 16 ALA C C 13 175.576 0.003 . 1 . . . . . 17 ALA C . 51795 1
56 . 1 . 1 16 16 ALA CA C 13 50.209 0.000 . 1 . . . . . 17 ALA CA . 51795 1
57 . 1 . 1 16 16 ALA CB C 13 17.984 0.000 . 1 . . . . . 17 ALA CB . 51795 1
58 . 1 . 1 16 16 ALA N N 15 125.190 0.010 . 1 . . . . . 17 ALA N . 51795 1
59 . 1 . 1 17 17 PRO C C 13 177.714 0.001 . 1 . . . . . 18 PRO C . 51795 1
60 . 1 . 1 17 17 PRO N N 15 136.883 0.007 . 1 . . . . . 18 PRO N . 51795 1
61 . 1 . 1 18 18 GLY C C 13 174.661 0.000 . 1 . . . . . 19 GLY C . 51795 1
62 . 1 . 1 18 18 GLY CA C 13 45.129 0.000 . 1 . . . . . 19 GLY CA . 51795 1
63 . 1 . 1 18 18 GLY N N 15 110.526 0.004 . 1 . . . . . 19 GLY N . 51795 1
64 . 1 . 1 19 19 GLY H H 1 8.105 0.000 . 1 . . . . . 20 GLY H . 51795 1
65 . 1 . 1 19 19 GLY C C 13 174.259 0.007 . 1 . . . . . 20 GLY C . 51795 1
66 . 1 . 1 19 19 GLY CA C 13 44.929 0.000 . 1 . . . . . 20 GLY CA . 51795 1
67 . 1 . 1 19 19 GLY N N 15 109.193 0.000 . 1 . . . . . 20 GLY N . 51795 1
68 . 1 . 1 20 20 GLY H H 1 7.937 0.000 . 1 . . . . . 21 GLY H . 51795 1
69 . 1 . 1 20 20 GLY C C 13 171.930 0.012 . 1 . . . . . 21 GLY C . 51795 1
70 . 1 . 1 20 20 GLY CA C 13 44.483 0.000 . 1 . . . . . 21 GLY CA . 51795 1
71 . 1 . 1 20 20 GLY N N 15 109.414 0.010 . 1 . . . . . 21 GLY N . 51795 1
72 . 1 . 1 21 21 PRO C C 13 176.989 0.009 . 1 . . . . . 22 PRO C . 51795 1
73 . 1 . 1 21 21 PRO N N 15 134.522 0.003 . 1 . . . . . 22 PRO N . 51795 1
74 . 1 . 1 22 22 TRP C C 13 176.998 0.010 . 1 . . . . . 23 TRP C . 51795 1
75 . 1 . 1 22 22 TRP CA C 13 57.199 0.000 . 1 . . . . . 23 TRP CA . 51795 1
76 . 1 . 1 22 22 TRP CB C 13 28.903 0.000 . 1 . . . . . 23 TRP CB . 51795 1
77 . 1 . 1 22 22 TRP N N 15 121.411 0.016 . 1 . . . . . 23 TRP N . 51795 1
78 . 1 . 1 23 23 GLY H H 1 8.016 0.000 . 1 . . . . . 24 GLY H . 51795 1
79 . 1 . 1 23 23 GLY C C 13 174.500 0.003 . 1 . . . . . 24 GLY C . 51795 1
80 . 1 . 1 23 23 GLY CA C 13 45.481 0.000 . 1 . . . . . 24 GLY CA . 51795 1
81 . 1 . 1 23 23 GLY N N 15 111.825 0.020 . 1 . . . . . 24 GLY N . 51795 1
82 . 1 . 1 24 24 GLY H H 1 7.512 0.000 . 1 . . . . . 25 GLY H . 51795 1
83 . 1 . 1 24 24 GLY C C 13 173.630 0.004 . 1 . . . . . 25 GLY C . 51795 1
84 . 1 . 1 24 24 GLY CA C 13 45.015 0.000 . 1 . . . . . 25 GLY CA . 51795 1
85 . 1 . 1 24 24 GLY N N 15 108.708 0.004 . 1 . . . . . 25 GLY N . 51795 1
86 . 1 . 1 25 25 ALA H H 1 7.792 0.000 . 1 . . . . . 26 ALA H . 51795 1
87 . 1 . 1 25 25 ALA C C 13 177.038 0.000 . 1 . . . . . 26 ALA C . 51795 1
88 . 1 . 1 25 25 ALA CA C 13 52.273 0.000 . 1 . . . . . 26 ALA CA . 51795 1
89 . 1 . 1 25 25 ALA CB C 13 19.249 0.000 . 1 . . . . . 26 ALA CB . 51795 1
90 . 1 . 1 25 25 ALA N N 15 123.966 0.005 . 1 . . . . . 26 ALA N . 51795 1
91 . 1 . 1 26 26 ALA H H 1 8.022 0.000 . 1 . . . . . 27 ALA H . 51795 1
92 . 1 . 1 26 26 ALA C C 13 176.645 0.006 . 1 . . . . . 27 ALA C . 51795 1
93 . 1 . 1 26 26 ALA CA C 13 52.273 0.000 . 1 . . . . . 27 ALA CA . 51795 1
94 . 1 . 1 26 26 ALA CB C 13 19.049 0.000 . 1 . . . . . 27 ALA CB . 51795 1
95 . 1 . 1 26 26 ALA N N 15 123.131 0.019 . 1 . . . . . 27 ALA N . 51795 1
96 . 1 . 1 27 27 TYR H H 1 7.689 0.000 . 1 . . . . . 28 TYR H . 51795 1
97 . 1 . 1 27 27 TYR C C 13 173.009 0.009 . 1 . . . . . 28 TYR C . 51795 1
98 . 1 . 1 27 27 TYR CA C 13 55.202 0.000 . 1 . . . . . 28 TYR CA . 51795 1
99 . 1 . 1 27 27 TYR CB C 13 38.091 0.000 . 1 . . . . . 28 TYR CB . 51795 1
100 . 1 . 1 27 27 TYR N N 15 119.968 0.026 . 1 . . . . . 28 TYR N . 51795 1
101 . 1 . 1 28 28 PRO C C 13 173.984 0.010 . 1 . . . . . 29 PRO C . 51795 1
102 . 1 . 1 28 28 PRO N N 15 138.456 0.036 . 1 . . . . . 29 PRO N . 51795 1
103 . 1 . 1 29 29 PRO C C 13 174.236 0.007 . 1 . . . . . 30 PRO C . 51795 1
104 . 1 . 1 29 29 PRO N N 15 136.895 0.035 . 1 . . . . . 30 PRO N . 51795 1
105 . 1 . 1 30 30 PRO C C 13 174.774 0.006 . 1 . . . . . 31 PRO C . 51795 1
106 . 1 . 1 30 30 PRO N N 15 137.056 0.030 . 1 . . . . . 31 PRO N . 51795 1
107 . 1 . 1 31 31 PRO C C 13 176.806 0.011 . 1 . . . . . 32 PRO C . 51795 1
108 . 1 . 1 31 31 PRO CA C 13 62.925 0.000 . 1 . . . . . 32 PRO CA . 51795 1
109 . 1 . 1 31 31 PRO CB C 13 31.833 0.000 . 1 . . . . . 32 PRO CB . 51795 1
110 . 1 . 1 31 31 PRO CG C 13 27.039 0.000 . 1 . . . . . 32 PRO CG . 51795 1
111 . 1 . 1 31 31 PRO CD C 13 50.209 0.000 . 1 . . . . . 32 PRO CD . 51795 1
112 . 1 . 1 31 31 PRO N N 15 135.766 0.037 . 1 . . . . . 32 PRO N . 51795 1
113 . 1 . 1 32 32 SER H H 1 8.130 0.000 . 1 . . . . . 33 SER H . 51795 1
114 . 1 . 1 32 32 SER C C 13 174.053 0.014 . 1 . . . . . 33 SER C . 51795 1
115 . 1 . 1 32 32 SER CA C 13 58.198 0.000 . 1 . . . . . 33 SER CA . 51795 1
116 . 1 . 1 32 32 SER CB C 13 63.924 0.000 . 1 . . . . . 33 SER CB . 51795 1
117 . 1 . 1 32 32 SER N N 15 116.349 0.117 . 1 . . . . . 33 SER N . 51795 1
118 . 1 . 1 33 33 MET H H 1 8.122 0.000 . 1 . . . . . 34 MET H . 51795 1
119 . 1 . 1 33 33 MET C C 13 173.578 0.026 . 1 . . . . . 34 MET C . 51795 1
120 . 1 . 1 33 33 MET CA C 13 53.138 0.000 . 1 . . . . . 34 MET CA . 51795 1
121 . 1 . 1 33 33 MET CB C 13 32.565 0.000 . 1 . . . . . 34 MET CB . 51795 1
122 . 1 . 1 33 33 MET N N 15 123.943 0.068 . 1 . . . . . 34 MET N . 51795 1
123 . 1 . 1 34 34 PRO N N 15 139.400 0.046 . 1 . . . . . 35 PRO N . 51795 1
124 . 1 . 1 35 35 PRO C C 13 176.753 0.012 . 1 . . . . . 36 PRO C . 51795 1
125 . 1 . 1 35 35 PRO CA C 13 62.992 0.000 . 1 . . . . . 36 PRO CA . 51795 1
126 . 1 . 1 35 35 PRO CB C 13 31.601 0.000 . 1 . . . . . 36 PRO CB . 51795 1
127 . 1 . 1 35 35 PRO N N 15 135.790 0.000 . 1 . . . . . 36 PRO N . 51795 1
128 . 1 . 1 36 36 ILE H H 1 8.013 0.000 . 1 . . . . . 37 ILE H . 51795 1
129 . 1 . 1 36 36 ILE C C 13 176.696 0.007 . 1 . . . . . 37 ILE C . 51795 1
130 . 1 . 1 36 36 ILE CA C 13 61.194 0.000 . 1 . . . . . 37 ILE CA . 51795 1
131 . 1 . 1 36 36 ILE CB C 13 38.957 0.000 . 1 . . . . . 37 ILE CB . 51795 1
132 . 1 . 1 36 36 ILE CD1 C 13 17.214 0.000 . 1 . . . . . 37 ILE CD1 . 51795 1
133 . 1 . 1 36 36 ILE N N 15 121.462 0.061 . 1 . . . . . 37 ILE N . 51795 1
134 . 1 . 1 37 37 GLY H H 1 8.304 0.000 . 1 . . . . . 38 GLY H . 51795 1
135 . 1 . 1 37 37 GLY C C 13 174.071 0.023 . 1 . . . . . 38 GLY C . 51795 1
136 . 1 . 1 37 37 GLY CA C 13 45.149 0.000 . 1 . . . . . 38 GLY CA . 51795 1
137 . 1 . 1 37 37 GLY N N 15 113.455 0.023 . 1 . . . . . 38 GLY N . 51795 1
138 . 1 . 1 38 38 LEU H H 1 7.988 0.000 . 1 . . . . . 39 LEU H . 51795 1
139 . 1 . 1 38 38 LEU C C 13 177.090 0.013 . 1 . . . . . 39 LEU C . 51795 1
140 . 1 . 1 38 38 LEU CA C 13 55.335 0.000 . 1 . . . . . 39 LEU CA . 51795 1
141 . 1 . 1 38 38 LEU CB C 13 42.419 0.000 . 1 . . . . . 39 LEU CB . 51795 1
142 . 1 . 1 38 38 LEU N N 15 122.535 0.027 . 1 . . . . . 39 LEU N . 51795 1
143 . 1 . 1 39 39 ASP H H 1 8.228 0.000 . 1 . . . . . 40 ASP H . 51795 1
144 . 1 . 1 39 39 ASP C C 13 175.875 0.050 . 1 . . . . . 40 ASP C . 51795 1
145 . 1 . 1 39 39 ASP CA C 13 54.403 0.000 . 1 . . . . . 40 ASP CA . 51795 1
146 . 1 . 1 39 39 ASP CB C 13 40.821 0.000 . 1 . . . . . 40 ASP CB . 51795 1
147 . 1 . 1 39 39 ASP N N 15 120.781 0.099 . 1 . . . . . 40 ASP N . 51795 1
148 . 1 . 1 40 40 ASN H H 1 8.130 0.000 . 1 . . . . . 41 ASN H . 51795 1
149 . 1 . 1 40 40 ASN C C 13 175.123 0.000 . 1 . . . . . 41 ASN C . 51795 1
150 . 1 . 1 40 40 ASN CA C 13 53.604 0.000 . 1 . . . . . 41 ASN CA . 51795 1
151 . 1 . 1 40 40 ASN CB C 13 38.690 0.000 . 1 . . . . . 41 ASN CB . 51795 1
152 . 1 . 1 40 40 ASN N N 15 119.279 0.051 . 1 . . . . . 41 ASN N . 51795 1
153 . 1 . 1 41 41 VAL H H 1 7.854 0.000 . 1 . . . . . 42 VAL H . 51795 1
154 . 1 . 1 41 41 VAL C C 13 176.033 0.003 . 1 . . . . . 42 VAL C . 51795 1
155 . 1 . 1 41 41 VAL CA C 13 62.725 0.000 . 1 . . . . . 42 VAL CA . 51795 1
156 . 1 . 1 41 41 VAL CB C 13 32.498 0.000 . 1 . . . . . 42 VAL CB . 51795 1
157 . 1 . 1 41 41 VAL CG1 C 13 20.654 0.000 . 1 . . . . . 42 VAL CG1 . 51795 1
158 . 1 . 1 41 41 VAL N N 15 120.686 0.001 . 1 . . . . . 42 VAL N . 51795 1
159 . 1 . 1 42 42 ALA H H 1 8.203 0.000 . 1 . . . . . 43 ALA H . 51795 1
160 . 1 . 1 42 42 ALA C C 13 177.919 0.000 . 1 . . . . . 43 ALA C . 51795 1
161 . 1 . 1 42 42 ALA CA C 13 52.805 0.000 . 1 . . . . . 43 ALA CA . 51795 1
162 . 1 . 1 42 42 ALA CB C 13 18.916 0.000 . 1 . . . . . 43 ALA CB . 51795 1
163 . 1 . 1 42 42 ALA N N 15 127.450 0.041 . 1 . . . . . 43 ALA N . 51795 1
164 . 1 . 1 43 43 THR H H 1 7.820 0.000 . 1 . . . . . 44 THR H . 51795 1
165 . 1 . 1 43 43 THR C C 13 174.309 0.000 . 1 . . . . . 44 THR C . 51795 1
166 . 1 . 1 43 43 THR CA C 13 62.259 0.000 . 1 . . . . . 44 THR CA . 51795 1
167 . 1 . 1 43 43 THR CB C 13 69.849 0.000 . 1 . . . . . 44 THR CB . 51795 1
168 . 1 . 1 43 43 THR CG2 C 13 21.123 0.000 . 1 . . . . . 44 THR CG2 . 51795 1
169 . 1 . 1 43 43 THR N N 15 113.624 0.000 . 1 . . . . . 44 THR N . 51795 1
170 . 1 . 1 44 44 TYR H H 1 7.896 0.000 . 1 . . . . . 45 TYR H . 51795 1
171 . 1 . 1 44 44 TYR C C 13 175.490 0.000 . 1 . . . . . 45 TYR C . 51795 1
172 . 1 . 1 44 44 TYR CA C 13 57.799 0.000 . 1 . . . . . 45 TYR CA . 51795 1
173 . 1 . 1 44 44 TYR CB C 13 38.624 0.000 . 1 . . . . . 45 TYR CB . 51795 1
174 . 1 . 1 44 44 TYR N N 15 122.661 0.000 . 1 . . . . . 45 TYR N . 51795 1
175 . 1 . 1 45 45 ALA H H 1 8.086 0.000 . 1 . . . . . 46 ALA H . 51795 1
176 . 1 . 1 45 45 ALA C C 13 177.922 0.000 . 1 . . . . . 46 ALA C . 51795 1
177 . 1 . 1 45 45 ALA CA C 13 52.805 0.000 . 1 . . . . . 46 ALA CA . 51795 1
178 . 1 . 1 45 45 ALA CB C 13 18.783 0.000 . 1 . . . . . 46 ALA CB . 51795 1
179 . 1 . 1 45 45 ALA N N 15 126.478 0.001 . 1 . . . . . 46 ALA N . 51795 1
180 . 1 . 1 46 46 GLY H H 1 7.705 0.000 . 1 . . . . . 47 GLY H . 51795 1
181 . 1 . 1 46 46 GLY C C 13 173.970 0.000 . 1 . . . . . 47 GLY C . 51795 1
182 . 1 . 1 46 46 GLY CA C 13 45.348 0.000 . 1 . . . . . 47 GLY CA . 51795 1
183 . 1 . 1 46 46 GLY N N 15 108.171 0.000 . 1 . . . . . 47 GLY N . 51795 1
184 . 1 . 1 47 47 GLN H H 1 7.861 0.000 . 1 . . . . . 48 GLN H . 51795 1
185 . 1 . 1 47 47 GLN C C 13 175.661 0.005 . 1 . . . . . 48 GLN C . 51795 1
186 . 1 . 1 47 47 GLN CA C 13 56.201 0.000 . 1 . . . . . 48 GLN CA . 51795 1
187 . 1 . 1 47 47 GLN CB C 13 29.169 0.000 . 1 . . . . . 48 GLN CB . 51795 1
188 . 1 . 1 47 47 GLN N N 15 120.129 0.000 . 1 . . . . . 48 GLN N . 51795 1
189 . 1 . 1 48 48 PHE H H 1 8.085 0.000 . 1 . . . . . 49 PHE H . 51795 1
190 . 1 . 1 48 48 PHE C C 13 175.237 0.006 . 1 . . . . . 49 PHE C . 51795 1
191 . 1 . 1 48 48 PHE CA C 13 57.599 0.000 . 1 . . . . . 49 PHE CA . 51795 1
192 . 1 . 1 48 48 PHE CB C 13 39.223 0.000 . 1 . . . . . 49 PHE CB . 51795 1
193 . 1 . 1 48 48 PHE N N 15 121.330 0.167 . 1 . . . . . 49 PHE N . 51795 1
194 . 1 . 1 49 49 ASN C C 13 174.798 0.033 . 1 . . . . . 50 ASN C . 51795 1
195 . 1 . 1 49 49 ASN N N 15 121.144 0.077 . 1 . . . . . 50 ASN N . 51795 1
196 . 1 . 1 50 50 GLN C C 13 175.303 0.016 . 1 . . . . . 51 GLN C . 51795 1
197 . 1 . 1 50 50 GLN CA C 13 56.134 0.000 . 1 . . . . . 51 GLN CA . 51795 1
198 . 1 . 1 50 50 GLN CB C 13 28.865 0.000 . 1 . . . . . 51 GLN CB . 51795 1
199 . 1 . 1 50 50 GLN N N 15 121.275 0.011 . 1 . . . . . 51 GLN N . 51795 1
200 . 1 . 1 51 51 ASP H H 1 8.114 0.000 . 1 . . . . . 52 ASP H . 51795 1
201 . 1 . 1 51 51 ASP C C 13 176.061 0.017 . 1 . . . . . 52 ASP C . 51795 1
202 . 1 . 1 51 51 ASP CA C 13 54.203 0.000 . 1 . . . . . 52 ASP CA . 51795 1
203 . 1 . 1 51 51 ASP CB C 13 40.821 0.000 . 1 . . . . . 52 ASP CB . 51795 1
204 . 1 . 1 51 51 ASP N N 15 121.684 0.092 . 1 . . . . . 52 ASP N . 51795 1
205 . 1 . 1 52 52 TRP H H 1 7.820 0.000 . 1 . . . . . 53 TRP H . 51795 1
206 . 1 . 1 52 52 TRP C C 13 176.167 0.008 . 1 . . . . . 53 TRP C . 51795 1
207 . 1 . 1 52 52 TRP CA C 13 57.266 0.000 . 1 . . . . . 53 TRP CA . 51795 1
208 . 1 . 1 52 52 TRP CB C 13 29.036 0.000 . 1 . . . . . 53 TRP CB . 51795 1
209 . 1 . 1 52 52 TRP N N 15 122.363 0.024 . 1 . . . . . 53 TRP N . 51795 1
210 . 1 . 1 53 53 SER H H 1 7.859 0.000 . 1 . . . . . 54 SER H . 51795 1
211 . 1 . 1 53 53 SER C C 13 173.570 0.002 . 1 . . . . . 54 SER C . 51795 1
212 . 1 . 1 53 53 SER CA C 13 58.664 0.000 . 1 . . . . . 54 SER CA . 51795 1
213 . 1 . 1 53 53 SER CB C 13 63.791 0.000 . 1 . . . . . 54 SER CB . 51795 1
214 . 1 . 1 53 53 SER N N 15 117.362 0.085 . 1 . . . . . 54 SER N . 51795 1
215 . 1 . 1 54 54 HIS H H 1 7.878 0.000 . 1 . . . . . 55 HIS H . 51795 1
216 . 1 . 1 54 54 HIS C C 13 172.981 0.006 . 1 . . . . . 55 HIS C . 51795 1
217 . 1 . 1 54 54 HIS N N 15 122.590 0.038 . 1 . . . . . 55 HIS N . 51795 1
218 . 1 . 1 55 55 PRO C C 13 176.775 0.011 . 1 . . . . . 56 PRO C . 51795 1
219 . 1 . 1 55 55 PRO CA C 13 63.458 0.000 . 1 . . . . . 56 PRO CA . 51795 1
220 . 1 . 1 55 55 PRO CB C 13 31.836 0.000 . 1 . . . . . 56 PRO CB . 51795 1
221 . 1 . 1 55 55 PRO CG C 13 27.283 0.000 . 1 . . . . . 56 PRO CG . 51795 1
222 . 1 . 1 55 55 PRO CD C 13 50.404 0.000 . 1 . . . . . 56 PRO CD . 51795 1
223 . 1 . 1 55 55 PRO N N 15 138.447 0.037 . 1 . . . . . 56 PRO N . 51795 1
224 . 1 . 1 56 56 GLN H H 1 8.494 0.000 . 1 . . . . . 57 GLN H . 51795 1
225 . 1 . 1 56 56 GLN C C 13 175.534 0.000 . 1 . . . . . 57 GLN C . 51795 1
226 . 1 . 1 56 56 GLN CA C 13 55.934 0.000 . 1 . . . . . 57 GLN CA . 51795 1
227 . 1 . 1 56 56 GLN CB C 13 29.236 0.000 . 1 . . . . . 57 GLN CB . 51795 1
228 . 1 . 1 56 56 GLN N N 15 121.322 0.003 . 1 . . . . . 57 GLN N . 51795 1
229 . 1 . 1 57 57 PHE H H 1 8.013 0.000 . 1 . . . . . 58 PHE H . 51795 1
230 . 1 . 1 57 57 PHE C C 13 175.374 0.002 . 1 . . . . . 58 PHE C . 51795 1
231 . 1 . 1 57 57 PHE CA C 13 57.562 0.000 . 1 . . . . . 58 PHE CA . 51795 1
232 . 1 . 1 57 57 PHE CB C 13 39.622 0.000 . 1 . . . . . 58 PHE CB . 51795 1
233 . 1 . 1 57 57 PHE N N 15 121.328 0.007 . 1 . . . . . 58 PHE N . 51795 1
234 . 1 . 1 58 58 GLU H H 1 8.193 0.000 . 1 . . . . . 59 GLU H . 51795 1
235 . 1 . 1 58 58 GLU C C 13 175.086 0.000 . 1 . . . . . 59 GLU C . 51795 1
236 . 1 . 1 58 58 GLU CA C 13 56.800 0.000 . 1 . . . . . 59 GLU CA . 51795 1
237 . 1 . 1 58 58 GLU CB C 13 30.168 0.000 . 1 . . . . . 59 GLU CB . 51795 1
238 . 1 . 1 58 58 GLU N N 15 123.602 0.009 . 1 . . . . . 59 GLU N . 51795 1
239 . 1 . 1 59 59 LYS H H 1 7.764 0.000 . 1 . . . . . 60 LYS H . 51795 1
240 . 1 . 1 59 59 LYS C C 13 181.049 0.000 . 1 . . . . . 60 LYS C . 51795 1
241 . 1 . 1 59 59 LYS CA C 13 57.732 0.000 . 1 . . . . . 60 LYS CA . 51795 1
242 . 1 . 1 59 59 LYS CB C 13 33.497 0.000 . 1 . . . . . 60 LYS CB . 51795 1
243 . 1 . 1 59 59 LYS N N 15 128.002 0.030 . 1 . . . . . 60 LYS N . 51795 1
stop_
save_