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 50852
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name BMRB
_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 DARR' . . . 50852 1
2 'NCACX DARR' . . . 50852 1
3 'NCOCX DARR' . . . 50852 1
4 CONCA . . . 50852 1
5 '2D NCA' . . . 50852 1
6 '2D NCO' . . . 50852 1
7 '3D NCACB' . . . 50852 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 . . 50852 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 MET C C 13 171.703 0.056 . 1 . . . . . 1 MET C . 50852 1
2 . 1 . 1 1 1 MET CA C 13 55.523 0.000 . 1 . . . . . 1 MET CA . 50852 1
3 . 1 . 1 1 1 MET CB C 13 33.884 0.000 . 1 . . . . . 1 MET CB . 50852 1
4 . 1 . 1 2 2 ASP C C 13 174.384 0.067 . 1 . . . . . 2 ASP C . 50852 1
5 . 1 . 1 2 2 ASP CA C 13 53.066 0.076 . 1 . . . . . 2 ASP CA . 50852 1
6 . 1 . 1 2 2 ASP CB C 13 43.641 0.031 . 1 . . . . . 2 ASP CB . 50852 1
7 . 1 . 1 2 2 ASP CG C 13 180.795 0.059 . 1 . . . . . 2 ASP CG . 50852 1
8 . 1 . 1 2 2 ASP N N 15 129.281 0.097 . 1 . . . . . 2 ASP N . 50852 1
9 . 1 . 1 3 3 VAL C C 13 174.206 0.061 . 1 . . . . . 3 VAL C . 50852 1
10 . 1 . 1 3 3 VAL CA C 13 61.091 0.055 . 1 . . . . . 3 VAL CA . 50852 1
11 . 1 . 1 3 3 VAL CB C 13 36.327 0.002 . 1 . . . . . 3 VAL CB . 50852 1
12 . 1 . 1 3 3 VAL N N 15 125.400 0.000 . 1 . . . . . 3 VAL N . 50852 1
13 . 1 . 1 4 4 PHE C C 13 174.043 0.001 . 1 . . . . . 4 PHE C . 50852 1
14 . 1 . 1 4 4 PHE CA C 13 52.275 0.080 . 1 . . . . . 4 PHE CA . 50852 1
15 . 1 . 1 4 4 PHE CB C 13 41.284 0.089 . 1 . . . . . 4 PHE CB . 50852 1
16 . 1 . 1 4 4 PHE N N 15 129.273 0.191 . 1 . . . . . 4 PHE N . 50852 1
17 . 1 . 1 5 5 MET C C 13 173.607 0.068 . 1 . . . . . 5 MET C . 50852 1
18 . 1 . 1 5 5 MET CA C 13 54.066 0.093 . 1 . . . . . 5 MET CA . 50852 1
19 . 1 . 1 5 5 MET CB C 13 31.722 0.000 . 1 . . . . . 5 MET CB . 50852 1
20 . 1 . 1 5 5 MET N N 15 127.607 0.000 . 1 . . . . . 5 MET N . 50852 1
21 . 1 . 1 6 6 LYS C C 13 175.848 0.049 . 1 . . . . . 6 LYS C . 50852 1
22 . 1 . 1 6 6 LYS CA C 13 53.743 0.103 . 1 . . . . . 6 LYS CA . 50852 1
23 . 1 . 1 6 6 LYS CB C 13 37.029 0.054 . 1 . . . . . 6 LYS CB . 50852 1
24 . 1 . 1 6 6 LYS N N 15 119.209 0.188 . 1 . . . . . 6 LYS N . 50852 1
25 . 1 . 1 7 7 GLY C C 13 173.857 0.032 . 1 . . . . . 7 GLY C . 50852 1
26 . 1 . 1 7 7 GLY CA C 13 44.349 0.072 . 1 . . . . . 7 GLY CA . 50852 1
27 . 1 . 1 7 7 GLY N N 15 105.505 0.226 . 1 . . . . . 7 GLY N . 50852 1
28 . 1 . 1 8 8 LEU C C 13 174.873 0.060 . 1 . . . . . 8 LEU C . 50852 1
29 . 1 . 1 8 8 LEU CA C 13 56.205 0.087 . 1 . . . . . 8 LEU CA . 50852 1
30 . 1 . 1 8 8 LEU CB C 13 43.227 0.083 . 1 . . . . . 8 LEU CB . 50852 1
31 . 1 . 1 8 8 LEU CG C 13 25.872 0.000 . 1 . . . . . 8 LEU CG . 50852 1
32 . 1 . 1 8 8 LEU N N 15 119.488 0.138 . 1 . . . . . 8 LEU N . 50852 1
33 . 1 . 1 9 9 SER C C 13 172.277 0.026 . 1 . . . . . 9 SER C . 50852 1
34 . 1 . 1 9 9 SER CA C 13 57.731 0.033 . 1 . . . . . 9 SER CA . 50852 1
35 . 1 . 1 9 9 SER CB C 13 66.762 0.025 . 1 . . . . . 9 SER CB . 50852 1
36 . 1 . 1 9 9 SER N N 15 115.963 0.105 . 1 . . . . . 9 SER N . 50852 1
37 . 1 . 1 10 10 LYS C C 13 173.222 0.000 . 1 . . . . . 10 LYS C . 50852 1
38 . 1 . 1 10 10 LYS CA C 13 54.874 0.052 . 1 . . . . . 10 LYS CA . 50852 1
39 . 1 . 1 10 10 LYS CB C 13 37.494 0.019 . 1 . . . . . 10 LYS CB . 50852 1
40 . 1 . 1 10 10 LYS N N 15 124.281 0.132 . 1 . . . . . 10 LYS N . 50852 1
41 . 1 . 1 11 11 ALA C C 13 175.960 0.000 . 1 . . . . . 11 ALA C . 50852 1
42 . 1 . 1 11 11 ALA CA C 13 50.137 0.069 . 1 . . . . . 11 ALA CA . 50852 1
43 . 1 . 1 11 11 ALA CB C 13 23.603 0.024 . 1 . . . . . 11 ALA CB . 50852 1
44 . 1 . 1 11 11 ALA N N 15 125.360 0.065 . 1 . . . . . 11 ALA N . 50852 1
45 . 1 . 1 12 12 LYS CA C 13 54.433 0.085 . 1 . . . . . 12 LYS CA . 50852 1
46 . 1 . 1 12 12 LYS CB C 13 35.265 0.075 . 1 . . . . . 12 LYS CB . 50852 1
47 . 1 . 1 12 12 LYS N N 15 124.828 0.032 . 1 . . . . . 12 LYS N . 50852 1
48 . 1 . 1 13 13 GLU C C 13 176.343 0.015 . 1 . . . . . 13 GLU C . 50852 1
49 . 1 . 1 13 13 GLU CA C 13 56.675 0.069 . 1 . . . . . 13 GLU CA . 50852 1
50 . 1 . 1 13 13 GLU CB C 13 26.022 0.062 . 1 . . . . . 13 GLU CB . 50852 1
51 . 1 . 1 13 13 GLU CG C 13 33.763 0.000 . 1 . . . . . 13 GLU CG . 50852 1
52 . 1 . 1 13 13 GLU N N 15 123.833 0.105 . 1 . . . . . 13 GLU N . 50852 1
53 . 1 . 1 14 14 GLY C C 13 171.405 0.031 . 1 . . . . . 14 GLY C . 50852 1
54 . 1 . 1 14 14 GLY CA C 13 46.268 0.008 . 1 . . . . . 14 GLY CA . 50852 1
55 . 1 . 1 14 14 GLY N N 15 95.487 0.032 . 1 . . . . . 14 GLY N . 50852 1
56 . 1 . 1 15 15 VAL C C 13 175.338 0.069 . 1 . . . . . 15 VAL C . 50852 1
57 . 1 . 1 15 15 VAL CA C 13 60.509 0.065 . 1 . . . . . 15 VAL CA . 50852 1
58 . 1 . 1 15 15 VAL CB C 13 37.943 0.028 . 1 . . . . . 15 VAL CB . 50852 1
59 . 1 . 1 15 15 VAL CG1 C 13 21.400 0.000 . 2 . . . . . 15 VAL CG1 . 50852 1
60 . 1 . 1 15 15 VAL CG2 C 13 22.286 0.000 . 2 . . . . . 15 VAL CG2 . 50852 1
61 . 1 . 1 15 15 VAL N N 15 118.121 0.100 . 1 . . . . . 15 VAL N . 50852 1
62 . 1 . 1 16 16 VAL C C 13 173.597 0.083 . 1 . . . . . 16 VAL C . 50852 1
63 . 1 . 1 16 16 VAL CA C 13 61.840 0.084 . 1 . . . . . 16 VAL CA . 50852 1
64 . 1 . 1 16 16 VAL CB C 13 33.743 0.049 . 1 . . . . . 16 VAL CB . 50852 1
65 . 1 . 1 16 16 VAL CG1 C 13 22.235 0.033 . 2 . . . . . 16 VAL CG1 . 50852 1
66 . 1 . 1 16 16 VAL CG2 C 13 21.588 0.000 . 2 . . . . . 16 VAL CG2 . 50852 1
67 . 1 . 1 16 16 VAL N N 15 125.986 0.091 . 1 . . . . . 16 VAL N . 50852 1
68 . 1 . 1 17 17 ALA C C 13 173.535 0.023 . 1 . . . . . 17 ALA C . 50852 1
69 . 1 . 1 17 17 ALA CA C 13 49.897 0.041 . 1 . . . . . 17 ALA CA . 50852 1
70 . 1 . 1 17 17 ALA CB C 13 19.209 0.059 . 1 . . . . . 17 ALA CB . 50852 1
71 . 1 . 1 17 17 ALA N N 15 131.920 0.072 . 1 . . . . . 17 ALA N . 50852 1
72 . 1 . 1 18 18 ALA C C 13 174.059 0.027 . 1 . . . . . 18 ALA C . 50852 1
73 . 1 . 1 18 18 ALA CA C 13 51.243 0.038 . 1 . . . . . 18 ALA CA . 50852 1
74 . 1 . 1 18 18 ALA CB C 13 20.876 0.075 . 1 . . . . . 18 ALA CB . 50852 1
75 . 1 . 1 18 18 ALA N N 15 128.236 0.050 . 1 . . . . . 18 ALA N . 50852 1
76 . 1 . 1 19 19 ALA C C 13 176.345 0.079 . 1 . . . . . 19 ALA C . 50852 1
77 . 1 . 1 19 19 ALA CA C 13 50.089 0.070 . 1 . . . . . 19 ALA CA . 50852 1
78 . 1 . 1 19 19 ALA CB C 13 21.093 0.039 . 1 . . . . . 19 ALA CB . 50852 1
79 . 1 . 1 19 19 ALA N N 15 127.428 0.107 . 1 . . . . . 19 ALA N . 50852 1
80 . 1 . 1 20 20 GLU C C 13 176.914 0.058 . 1 . . . . . 20 GLU C . 50852 1
81 . 1 . 1 20 20 GLU CA C 13 60.173 0.088 . 1 . . . . . 20 GLU CA . 50852 1
82 . 1 . 1 20 20 GLU CB C 13 31.143 0.031 . 1 . . . . . 20 GLU CB . 50852 1
83 . 1 . 1 20 20 GLU CG C 13 39.087 0.000 . 1 . . . . . 20 GLU CG . 50852 1
84 . 1 . 1 20 20 GLU N N 15 125.151 0.132 . 1 . . . . . 20 GLU N . 50852 1
85 . 1 . 1 21 21 LYS C C 13 174.794 0.064 . 1 . . . . . 21 LYS C . 50852 1
86 . 1 . 1 21 21 LYS CA C 13 57.452 0.060 . 1 . . . . . 21 LYS CA . 50852 1
87 . 1 . 1 21 21 LYS CB C 13 27.686 0.063 . 1 . . . . . 21 LYS CB . 50852 1
88 . 1 . 1 21 21 LYS CG C 13 24.318 0.095 . 1 . . . . . 21 LYS CG . 50852 1
89 . 1 . 1 21 21 LYS N N 15 110.547 0.108 . 1 . . . . . 21 LYS N . 50852 1
90 . 1 . 1 22 22 THR C C 13 173.195 0.046 . 1 . . . . . 22 THR C . 50852 1
91 . 1 . 1 22 22 THR CA C 13 65.789 0.070 . 1 . . . . . 22 THR CA . 50852 1
92 . 1 . 1 22 22 THR CB C 13 69.022 0.066 . 1 . . . . . 22 THR CB . 50852 1
93 . 1 . 1 22 22 THR CG2 C 13 22.300 0.000 . 1 . . . . . 22 THR CG2 . 50852 1
94 . 1 . 1 22 22 THR N N 15 121.425 0.119 . 1 . . . . . 22 THR N . 50852 1
95 . 1 . 1 23 23 LYS C C 13 174.402 0.034 . 1 . . . . . 23 LYS C . 50852 1
96 . 1 . 1 23 23 LYS CA C 13 54.793 0.070 . 1 . . . . . 23 LYS CA . 50852 1
97 . 1 . 1 23 23 LYS CB C 13 37.924 0.065 . 1 . . . . . 23 LYS CB . 50852 1
98 . 1 . 1 23 23 LYS CG C 13 26.056 0.018 . 1 . . . . . 23 LYS CG . 50852 1
99 . 1 . 1 23 23 LYS CE C 13 41.935 0.000 . 1 . . . . . 23 LYS CE . 50852 1
100 . 1 . 1 23 23 LYS N N 15 125.895 0.077 . 1 . . . . . 23 LYS N . 50852 1
101 . 1 . 1 24 24 GLN C C 13 175.932 0.026 . 1 . . . . . 24 GLN C . 50852 1
102 . 1 . 1 24 24 GLN CA C 13 53.173 0.056 . 1 . . . . . 24 GLN CA . 50852 1
103 . 1 . 1 24 24 GLN CB C 13 33.204 0.031 . 1 . . . . . 24 GLN CB . 50852 1
104 . 1 . 1 24 24 GLN N N 15 123.529 0.075 . 1 . . . . . 24 GLN N . 50852 1
105 . 1 . 1 25 25 GLY C C 13 174.236 0.000 . 1 . . . . . 25 GLY C . 50852 1
106 . 1 . 1 25 25 GLY CA C 13 49.473 0.035 . 1 . . . . . 25 GLY CA . 50852 1
107 . 1 . 1 25 25 GLY N N 15 116.367 0.099 . 1 . . . . . 25 GLY N . 50852 1
108 . 1 . 1 26 26 VAL C C 13 172.493 0.041 . 1 . . . . . 26 VAL C . 50852 1
109 . 1 . 1 26 26 VAL CA C 13 59.446 0.066 . 1 . . . . . 26 VAL CA . 50852 1
110 . 1 . 1 26 26 VAL CB C 13 37.471 0.036 . 1 . . . . . 26 VAL CB . 50852 1
111 . 1 . 1 26 26 VAL CG1 C 13 21.348 0.000 . 2 . . . . . 26 VAL CG1 . 50852 1
112 . 1 . 1 26 26 VAL CG2 C 13 24.888 0.048 . 2 . . . . . 26 VAL CG2 . 50852 1
113 . 1 . 1 26 26 VAL N N 15 116.931 0.073 . 1 . . . . . 26 VAL N . 50852 1
114 . 1 . 1 27 27 ALA C C 13 175.108 0.069 . 1 . . . . . 27 ALA C . 50852 1
115 . 1 . 1 27 27 ALA CA C 13 49.368 0.059 . 1 . . . . . 27 ALA CA . 50852 1
116 . 1 . 1 27 27 ALA CB C 13 22.620 0.056 . 1 . . . . . 27 ALA CB . 50852 1
117 . 1 . 1 27 27 ALA N N 15 130.193 0.097 . 1 . . . . . 27 ALA N . 50852 1
118 . 1 . 1 28 28 GLU C C 13 173.803 0.104 . 1 . . . . . 28 GLU C . 50852 1
119 . 1 . 1 28 28 GLU CA C 13 54.221 0.068 . 1 . . . . . 28 GLU CA . 50852 1
120 . 1 . 1 28 28 GLU CB C 13 32.950 0.071 . 1 . . . . . 28 GLU CB . 50852 1
121 . 1 . 1 28 28 GLU CG C 13 36.348 0.000 . 1 . . . . . 28 GLU CG . 50852 1
122 . 1 . 1 28 28 GLU N N 15 121.886 0.162 . 1 . . . . . 28 GLU N . 50852 1
123 . 1 . 1 29 29 ALA C C 13 175.802 0.035 . 1 . . . . . 29 ALA C . 50852 1
124 . 1 . 1 29 29 ALA CA C 13 50.034 0.088 . 1 . . . . . 29 ALA CA . 50852 1
125 . 1 . 1 29 29 ALA CB C 13 24.530 0.049 . 1 . . . . . 29 ALA CB . 50852 1
126 . 1 . 1 29 29 ALA N N 15 125.552 0.097 . 1 . . . . . 29 ALA N . 50852 1
127 . 1 . 1 30 30 ALA C C 13 175.288 0.000 . 1 . . . . . 30 ALA C . 50852 1
128 . 1 . 1 30 30 ALA CA C 13 50.446 0.088 . 1 . . . . . 30 ALA CA . 50852 1
129 . 1 . 1 30 30 ALA CB C 13 22.669 0.010 . 1 . . . . . 30 ALA CB . 50852 1
130 . 1 . 1 30 30 ALA N N 15 127.591 0.206 . 1 . . . . . 30 ALA N . 50852 1
131 . 1 . 1 31 31 GLY C C 13 173.006 0.077 . 1 . . . . . 31 GLY C . 50852 1
132 . 1 . 1 31 31 GLY CA C 13 44.277 0.046 . 1 . . . . . 31 GLY CA . 50852 1
133 . 1 . 1 31 31 GLY N N 15 108.574 0.073 . 1 . . . . . 31 GLY N . 50852 1
134 . 1 . 1 32 32 LYS C C 13 176.244 0.062 . 1 . . . . . 32 LYS C . 50852 1
135 . 1 . 1 32 32 LYS CA C 13 57.616 0.080 . 1 . . . . . 32 LYS CA . 50852 1
136 . 1 . 1 32 32 LYS CB C 13 29.386 0.048 . 1 . . . . . 32 LYS CB . 50852 1
137 . 1 . 1 32 32 LYS N N 15 119.621 0.218 . 1 . . . . . 32 LYS N . 50852 1
138 . 1 . 1 33 33 THR C C 13 175.610 0.098 . 1 . . . . . 33 THR C . 50852 1
139 . 1 . 1 33 33 THR CA C 13 60.100 0.102 . 1 . . . . . 33 THR CA . 50852 1
140 . 1 . 1 33 33 THR CB C 13 70.022 0.105 . 1 . . . . . 33 THR CB . 50852 1
141 . 1 . 1 33 33 THR CG2 C 13 21.696 0.000 . 1 . . . . . 33 THR CG2 . 50852 1
142 . 1 . 1 33 33 THR N N 15 106.284 0.156 . 1 . . . . . 33 THR N . 50852 1
143 . 1 . 1 34 34 LYS C C 13 176.359 0.070 . 1 . . . . . 34 LYS C . 50852 1
144 . 1 . 1 34 34 LYS CA C 13 56.193 0.083 . 1 . . . . . 34 LYS CA . 50852 1
145 . 1 . 1 34 34 LYS CB C 13 37.441 0.074 . 1 . . . . . 34 LYS CB . 50852 1
146 . 1 . 1 34 34 LYS CG C 13 27.374 0.000 . 1 . . . . . 34 LYS CG . 50852 1
147 . 1 . 1 34 34 LYS N N 15 121.943 0.132 . 1 . . . . . 34 LYS N . 50852 1
148 . 1 . 1 35 35 GLU C C 13 176.542 0.097 . 1 . . . . . 35 GLU C . 50852 1
149 . 1 . 1 35 35 GLU CA C 13 55.302 0.076 . 1 . . . . . 35 GLU CA . 50852 1
150 . 1 . 1 35 35 GLU CB C 13 34.100 0.078 . 1 . . . . . 35 GLU CB . 50852 1
151 . 1 . 1 35 35 GLU CG C 13 36.412 0.000 . 1 . . . . . 35 GLU CG . 50852 1
152 . 1 . 1 35 35 GLU N N 15 126.011 0.168 . 1 . . . . . 35 GLU N . 50852 1
153 . 1 . 1 36 36 GLY C C 13 169.872 0.085 . 1 . . . . . 36 GLY C . 50852 1
154 . 1 . 1 36 36 GLY CA C 13 49.006 0.109 . 1 . . . . . 36 GLY CA . 50852 1
155 . 1 . 1 36 36 GLY N N 15 117.252 0.121 . 1 . . . . . 36 GLY N . 50852 1
156 . 1 . 1 37 37 VAL C C 13 172.286 0.054 . 1 . . . . . 37 VAL C . 50852 1
157 . 1 . 1 37 37 VAL CA C 13 60.974 0.038 . 1 . . . . . 37 VAL CA . 50852 1
158 . 1 . 1 37 37 VAL CB C 13 35.925 0.032 . 1 . . . . . 37 VAL CB . 50852 1
159 . 1 . 1 37 37 VAL N N 15 126.133 0.136 . 1 . . . . . 37 VAL N . 50852 1
160 . 1 . 1 38 38 LEU CA C 13 53.153 0.000 . 1 . . . . . 38 LEU CA . 50852 1
161 . 1 . 1 38 38 LEU CB C 13 45.990 0.000 . 1 . . . . . 38 LEU CB . 50852 1
162 . 1 . 1 38 38 LEU N N 15 130.978 0.055 . 1 . . . . . 38 LEU N . 50852 1
163 . 1 . 1 39 39 TYR C C 13 173.194 0.071 . 1 . . . . . 39 TYR C . 50852 1
164 . 1 . 1 40 40 VAL C C 13 173.385 0.059 . 1 . . . . . 40 VAL C . 50852 1
165 . 1 . 1 40 40 VAL CA C 13 60.966 0.090 . 1 . . . . . 40 VAL CA . 50852 1
166 . 1 . 1 40 40 VAL CB C 13 34.655 0.035 . 1 . . . . . 40 VAL CB . 50852 1
167 . 1 . 1 40 40 VAL CG1 C 13 22.430 0.000 . 2 . . . . . 40 VAL CG1 . 50852 1
168 . 1 . 1 40 40 VAL CG2 C 13 20.393 0.000 . 2 . . . . . 40 VAL CG2 . 50852 1
169 . 1 . 1 40 40 VAL N N 15 128.859 0.122 . 1 . . . . . 40 VAL N . 50852 1
170 . 1 . 1 41 41 GLY C C 13 172.086 0.082 . 1 . . . . . 41 GLY C . 50852 1
171 . 1 . 1 41 41 GLY CA C 13 44.194 0.037 . 1 . . . . . 41 GLY CA . 50852 1
172 . 1 . 1 41 41 GLY N N 15 113.449 0.098 . 1 . . . . . 41 GLY N . 50852 1
173 . 1 . 1 42 42 SER C C 13 174.893 0.000 . 1 . . . . . 42 SER C . 50852 1
174 . 1 . 1 42 42 SER CA C 13 54.789 0.057 . 1 . . . . . 42 SER CA . 50852 1
175 . 1 . 1 42 42 SER CB C 13 64.339 0.078 . 1 . . . . . 42 SER CB . 50852 1
176 . 1 . 1 42 42 SER N N 15 117.313 0.116 . 1 . . . . . 42 SER N . 50852 1
177 . 1 . 1 47 47 GLY C C 13 172.016 0.099 . 1 . . . . . 47 GLY C . 50852 1
178 . 1 . 1 47 47 GLY CA C 13 45.536 0.062 . 1 . . . . . 47 GLY CA . 50852 1
179 . 1 . 1 47 47 GLY N N 15 113.757 0.164 . 1 . . . . . 47 GLY N . 50852 1
180 . 1 . 1 48 48 VAL CA C 13 60.891 0.105 . 1 . . . . . 48 VAL CA . 50852 1
181 . 1 . 1 48 48 VAL CB C 13 35.192 0.000 . 1 . . . . . 48 VAL CB . 50852 1
182 . 1 . 1 48 48 VAL CG1 C 13 21.423 0.000 . 1 . . . . . 48 VAL CG1 . 50852 1
183 . 1 . 1 48 48 VAL N N 15 126.492 0.093 . 1 . . . . . 48 VAL N . 50852 1
184 . 1 . 1 51 51 GLY C C 13 173.193 0.035 . 1 . . . . . 51 GLY C . 50852 1
185 . 1 . 1 51 51 GLY CA C 13 44.311 0.000 . 1 . . . . . 51 GLY CA . 50852 1
186 . 1 . 1 52 52 VAL C C 13 172.177 0.021 . 1 . . . . . 52 VAL C . 50852 1
187 . 1 . 1 52 52 VAL CA C 13 61.648 0.034 . 1 . . . . . 52 VAL CA . 50852 1
188 . 1 . 1 52 52 VAL CB C 13 34.720 0.000 . 1 . . . . . 52 VAL CB . 50852 1
189 . 1 . 1 52 52 VAL N N 15 124.189 0.110 . 1 . . . . . 52 VAL N . 50852 1
190 . 1 . 1 53 53 ALA CA C 13 49.974 0.049 . 1 . . . . . 53 ALA CA . 50852 1
191 . 1 . 1 53 53 ALA CB C 13 23.742 0.003 . 1 . . . . . 53 ALA CB . 50852 1
192 . 1 . 1 53 53 ALA N N 15 128.344 0.105 . 1 . . . . . 53 ALA N . 50852 1
193 . 1 . 1 55 55 VAL C C 13 173.949 0.000 . 1 . . . . . 55 VAL C . 50852 1
194 . 1 . 1 56 56 ALA C C 13 175.530 0.041 . 1 . . . . . 56 ALA C . 50852 1
195 . 1 . 1 56 56 ALA CA C 13 51.351 0.048 . 1 . . . . . 56 ALA CA . 50852 1
196 . 1 . 1 56 56 ALA CB C 13 20.626 0.039 . 1 . . . . . 56 ALA CB . 50852 1
197 . 1 . 1 56 56 ALA N N 15 134.144 0.120 . 1 . . . . . 56 ALA N . 50852 1
198 . 1 . 1 57 57 GLU C C 13 174.967 0.003 . 1 . . . . . 57 GLU C . 50852 1
199 . 1 . 1 57 57 GLU CA C 13 54.929 0.028 . 1 . . . . . 57 GLU CA . 50852 1
200 . 1 . 1 57 57 GLU CB C 13 34.965 0.000 . 1 . . . . . 57 GLU CB . 50852 1
201 . 1 . 1 57 57 GLU N N 15 124.076 0.151 . 1 . . . . . 57 GLU N . 50852 1
202 . 1 . 1 58 58 LYS C C 13 175.911 0.023 . 1 . . . . . 58 LYS C . 50852 1
203 . 1 . 1 58 58 LYS CA C 13 55.368 0.043 . 1 . . . . . 58 LYS CA . 50852 1
204 . 1 . 1 58 58 LYS CB C 13 35.274 0.030 . 1 . . . . . 58 LYS CB . 50852 1
205 . 1 . 1 58 58 LYS N N 15 128.700 0.073 . 1 . . . . . 58 LYS N . 50852 1
206 . 1 . 1 59 59 THR C C 13 174.153 0.034 . 1 . . . . . 59 THR C . 50852 1
207 . 1 . 1 59 59 THR CA C 13 59.847 0.100 . 1 . . . . . 59 THR CA . 50852 1
208 . 1 . 1 59 59 THR CB C 13 72.036 0.072 . 1 . . . . . 59 THR CB . 50852 1
209 . 1 . 1 59 59 THR N N 15 115.519 0.184 . 1 . . . . . 59 THR N . 50852 1
210 . 1 . 1 60 60 LYS C C 13 175.785 0.047 . 1 . . . . . 60 LYS C . 50852 1
211 . 1 . 1 60 60 LYS CA C 13 55.785 0.059 . 1 . . . . . 60 LYS CA . 50852 1
212 . 1 . 1 60 60 LYS CB C 13 36.735 0.096 . 1 . . . . . 60 LYS CB . 50852 1
213 . 1 . 1 60 60 LYS N N 15 123.784 0.164 . 1 . . . . . 60 LYS N . 50852 1
214 . 1 . 1 63 63 VAL C C 13 174.715 0.033 . 1 . . . . . 63 VAL C . 50852 1
215 . 1 . 1 63 63 VAL CA C 13 60.401 0.088 . 1 . . . . . 63 VAL CA . 50852 1
216 . 1 . 1 63 63 VAL CB C 13 36.575 0.017 . 1 . . . . . 63 VAL CB . 50852 1
217 . 1 . 1 63 63 VAL CG1 C 13 20.808 0.000 . 2 . . . . . 63 VAL CG1 . 50852 1
218 . 1 . 1 63 63 VAL CG2 C 13 19.879 0.000 . 2 . . . . . 63 VAL CG2 . 50852 1
219 . 1 . 1 63 63 VAL N N 15 121.129 0.177 . 1 . . . . . 63 VAL N . 50852 1
220 . 1 . 1 64 64 THR C C 13 172.557 0.093 . 1 . . . . . 64 THR C . 50852 1
221 . 1 . 1 64 64 THR CA C 13 62.634 0.096 . 1 . . . . . 64 THR CA . 50852 1
222 . 1 . 1 64 64 THR CB C 13 69.563 0.097 . 1 . . . . . 64 THR CB . 50852 1
223 . 1 . 1 64 64 THR N N 15 127.098 0.108 . 1 . . . . . 64 THR N . 50852 1
224 . 1 . 1 65 65 ASN C C 13 172.577 0.066 . 1 . . . . . 65 ASN C . 50852 1
225 . 1 . 1 65 65 ASN CA C 13 52.033 0.040 . 1 . . . . . 65 ASN CA . 50852 1
226 . 1 . 1 65 65 ASN CB C 13 43.141 0.054 . 1 . . . . . 65 ASN CB . 50852 1
227 . 1 . 1 65 65 ASN CG C 13 174.647 0.000 . 1 . . . . . 65 ASN CG . 50852 1
228 . 1 . 1 65 65 ASN N N 15 125.511 0.096 . 1 . . . . . 65 ASN N . 50852 1
229 . 1 . 1 66 66 VAL C C 13 177.372 0.099 . 1 . . . . . 66 VAL C . 50852 1
230 . 1 . 1 66 66 VAL CA C 13 60.658 0.073 . 1 . . . . . 66 VAL CA . 50852 1
231 . 1 . 1 66 66 VAL CB C 13 33.420 0.024 . 1 . . . . . 66 VAL CB . 50852 1
232 . 1 . 1 66 66 VAL N N 15 127.395 0.140 . 1 . . . . . 66 VAL N . 50852 1
233 . 1 . 1 67 67 GLY C C 13 172.883 0.000 . 1 . . . . . 67 GLY C . 50852 1
234 . 1 . 1 67 67 GLY CA C 13 46.725 0.077 . 1 . . . . . 67 GLY CA . 50852 1
235 . 1 . 1 67 67 GLY N N 15 111.629 0.133 . 1 . . . . . 67 GLY N . 50852 1
236 . 1 . 1 68 68 GLY C C 13 172.820 0.092 . 1 . . . . . 68 GLY C . 50852 1
237 . 1 . 1 68 68 GLY CA C 13 43.404 0.060 . 1 . . . . . 68 GLY CA . 50852 1
238 . 1 . 1 68 68 GLY N N 15 129.729 0.135 . 1 . . . . . 68 GLY N . 50852 1
239 . 1 . 1 69 69 ALA CA C 13 50.649 0.089 . 1 . . . . . 69 ALA CA . 50852 1
240 . 1 . 1 69 69 ALA CB C 13 22.157 0.066 . 1 . . . . . 69 ALA CB . 50852 1
241 . 1 . 1 69 69 ALA N N 15 126.053 0.054 . 1 . . . . . 69 ALA N . 50852 1
242 . 1 . 1 72 72 THR C C 13 175.042 0.092 . 1 . . . . . 72 THR C . 50852 1
243 . 1 . 1 72 72 THR CA C 13 60.792 0.033 . 1 . . . . . 72 THR CA . 50852 1
244 . 1 . 1 72 72 THR CB C 13 68.666 0.078 . 1 . . . . . 72 THR CB . 50852 1
245 . 1 . 1 72 72 THR N N 15 120.064 0.000 . 1 . . . . . 72 THR N . 50852 1
246 . 1 . 1 73 73 GLY C C 13 171.89 0.000 . 1 . . . . . 73 GLY C . 50852 1
247 . 1 . 1 73 73 GLY CA C 13 43.998 0.070 . 1 . . . . . 73 GLY CA . 50852 1
248 . 1 . 1 73 73 GLY N N 15 110.482 0.204 . 1 . . . . . 73 GLY N . 50852 1
249 . 1 . 1 74 74 VAL C C 13 174.994 0.048 . 1 . . . . . 74 VAL C . 50852 1
250 . 1 . 1 74 74 VAL CA C 13 61.127 0.089 . 1 . . . . . 74 VAL CA . 50852 1
251 . 1 . 1 74 74 VAL CB C 13 36.028 0.077 . 1 . . . . . 74 VAL CB . 50852 1
252 . 1 . 1 74 74 VAL CG1 C 13 22.227 0.000 . 2 . . . . . 74 VAL CG1 . 50852 1
253 . 1 . 1 74 74 VAL CG2 C 13 21.814 0.075 . 2 . . . . . 74 VAL CG2 . 50852 1
254 . 1 . 1 74 74 VAL N N 15 125.444 0.235 . 1 . . . . . 74 VAL N . 50852 1
255 . 1 . 1 75 75 THR C C 13 172.943 0.037 . 1 . . . . . 75 THR C . 50852 1
256 . 1 . 1 75 75 THR CA C 13 58.573 0.053 . 1 . . . . . 75 THR CA . 50852 1
257 . 1 . 1 75 75 THR CB C 13 71.914 0.013 . 1 . . . . . 75 THR CB . 50852 1
258 . 1 . 1 75 75 THR N N 15 114.951 0.080 . 1 . . . . . 75 THR N . 50852 1
259 . 1 . 1 76 76 ALA C C 13 177.649 0.064 . 1 . . . . . 76 ALA C . 50852 1
260 . 1 . 1 76 76 ALA CA C 13 50.704 0.063 . 1 . . . . . 76 ALA CA . 50852 1
261 . 1 . 1 76 76 ALA CB C 13 24.090 0.035 . 1 . . . . . 76 ALA CB . 50852 1
262 . 1 . 1 76 76 ALA N N 15 121.988 0.180 . 1 . . . . . 76 ALA N . 50852 1
263 . 1 . 1 77 77 VAL CA C 13 61.198 0.071 . 1 . . . . . 77 VAL CA . 50852 1
264 . 1 . 1 77 77 VAL CB C 13 36.606 0.040 . 1 . . . . . 77 VAL CB . 50852 1
265 . 1 . 1 77 77 VAL CG1 C 13 20.528 0.000 . 1 . . . . . 77 VAL CG1 . 50852 1
266 . 1 . 1 77 77 VAL N N 15 123.929 0.186 . 1 . . . . . 77 VAL N . 50852 1
267 . 1 . 1 78 78 ALA C C 13 177.049 0.070 . 1 . . . . . 78 ALA C . 50852 1
268 . 1 . 1 78 78 ALA CA C 13 50.198 0.098 . 1 . . . . . 78 ALA CA . 50852 1
269 . 1 . 1 78 78 ALA CB C 13 20.304 0.000 . 1 . . . . . 78 ALA CB . 50852 1
270 . 1 . 1 78 78 ALA N N 15 130.128 0.121 . 1 . . . . . 78 ALA N . 50852 1
271 . 1 . 1 79 79 GLN C C 13 174.391 0.043 . 1 . . . . . 79 GLN C . 50852 1
272 . 1 . 1 79 79 GLN CA C 13 52.584 0.049 . 1 . . . . . 79 GLN CA . 50852 1
273 . 1 . 1 79 79 GLN CB C 13 33.267 0.039 . 1 . . . . . 79 GLN CB . 50852 1
274 . 1 . 1 79 79 GLN CG C 13 31.036 0.000 . 1 . . . . . 79 GLN CG . 50852 1
275 . 1 . 1 79 79 GLN N N 15 117.296 0.147 . 1 . . . . . 79 GLN N . 50852 1
276 . 1 . 1 80 80 LYS C C 13 176.390 0.074 . 1 . . . . . 80 LYS C . 50852 1
277 . 1 . 1 80 80 LYS CA C 13 56.933 0.072 . 1 . . . . . 80 LYS CA . 50852 1
278 . 1 . 1 80 80 LYS CB C 13 30.617 0.054 . 1 . . . . . 80 LYS CB . 50852 1
279 . 1 . 1 80 80 LYS N N 15 120.929 0.147 . 1 . . . . . 80 LYS N . 50852 1
280 . 1 . 1 81 81 THR CA C 13 67.784 0.032 . 1 . . . . . 81 THR CA . 50852 1
281 . 1 . 1 81 81 THR CB C 13 68.790 0.044 . 1 . . . . . 81 THR CB . 50852 1
282 . 1 . 1 81 81 THR N N 15 117.993 0.171 . 1 . . . . . 81 THR N . 50852 1
283 . 1 . 1 82 82 VAL C C 13 173.416 0.094 . 1 . . . . . 82 VAL C . 50852 1
284 . 1 . 1 82 82 VAL CA C 13 62.509 0.067 . 1 . . . . . 82 VAL CA . 50852 1
285 . 1 . 1 82 82 VAL CB C 13 33.463 0.096 . 1 . . . . . 82 VAL CB . 50852 1
286 . 1 . 1 82 82 VAL CG1 C 13 21.433 0.072 . 1 . . . . . 82 VAL CG1 . 50852 1
287 . 1 . 1 82 82 VAL N N 15 119.656 0.115 . 1 . . . . . 82 VAL N . 50852 1
288 . 1 . 1 83 83 GLU C C 13 174.975 0.046 . 1 . . . . . 83 GLU C . 50852 1
289 . 1 . 1 83 83 GLU CA C 13 53.898 0.067 . 1 . . . . . 83 GLU CA . 50852 1
290 . 1 . 1 83 83 GLU CB C 13 30.399 0.090 . 1 . . . . . 83 GLU CB . 50852 1
291 . 1 . 1 83 83 GLU N N 15 130.282 0.125 . 1 . . . . . 83 GLU N . 50852 1
292 . 1 . 1 84 84 GLY C C 13 172.281 0.020 . 1 . . . . . 84 GLY C . 50852 1
293 . 1 . 1 84 84 GLY CA C 13 44.038 0.047 . 1 . . . . . 84 GLY CA . 50852 1
294 . 1 . 1 84 84 GLY N N 15 114.116 0.089 . 1 . . . . . 84 GLY N . 50852 1
295 . 1 . 1 85 85 ALA C C 13 177.640 0.030 . 1 . . . . . 85 ALA C . 50852 1
296 . 1 . 1 85 85 ALA CA C 13 51.296 0.043 . 1 . . . . . 85 ALA CA . 50852 1
297 . 1 . 1 85 85 ALA CB C 13 18.901 0.041 . 1 . . . . . 85 ALA CB . 50852 1
298 . 1 . 1 85 85 ALA N N 15 121.204 0.062 . 1 . . . . . 85 ALA N . 50852 1
299 . 1 . 1 86 86 GLY C C 13 171.056 0.023 . 1 . . . . . 86 GLY C . 50852 1
300 . 1 . 1 86 86 GLY CA C 13 45.402 0.093 . 1 . . . . . 86 GLY CA . 50852 1
301 . 1 . 1 86 86 GLY N N 15 108.517 0.088 . 1 . . . . . 86 GLY N . 50852 1
302 . 1 . 1 87 87 SER C C 13 173.145 0.052 . 1 . . . . . 87 SER C . 50852 1
303 . 1 . 1 87 87 SER CA C 13 56.477 0.055 . 1 . . . . . 87 SER CA . 50852 1
304 . 1 . 1 87 87 SER CB C 13 67.156 0.036 . 1 . . . . . 87 SER CB . 50852 1
305 . 1 . 1 87 87 SER N N 15 108.614 0.118 . 1 . . . . . 87 SER N . 50852 1
306 . 1 . 1 88 88 ILE C C 13 175.479 0.055 . 1 . . . . . 88 ILE C . 50852 1
307 . 1 . 1 88 88 ILE CA C 13 60.785 0.052 . 1 . . . . . 88 ILE CA . 50852 1
308 . 1 . 1 88 88 ILE CB C 13 41.960 0.034 . 1 . . . . . 88 ILE CB . 50852 1
309 . 1 . 1 88 88 ILE CG1 C 13 28.334 0.025 . 1 . . . . . 88 ILE CG1 . 50852 1
310 . 1 . 1 88 88 ILE CG2 C 13 18.888 0.018 . 1 . . . . . 88 ILE CG2 . 50852 1
311 . 1 . 1 88 88 ILE CD1 C 13 14.511 0.030 . 1 . . . . . 88 ILE CD1 . 50852 1
312 . 1 . 1 88 88 ILE N N 15 120.084 0.111 . 1 . . . . . 88 ILE N . 50852 1
313 . 1 . 1 89 89 ALA C C 13 177.412 0.065 . 1 . . . . . 89 ALA C . 50852 1
314 . 1 . 1 89 89 ALA CA C 13 50.441 0.063 . 1 . . . . . 89 ALA CA . 50852 1
315 . 1 . 1 89 89 ALA CB C 13 22.990 0.028 . 1 . . . . . 89 ALA CB . 50852 1
316 . 1 . 1 89 89 ALA N N 15 130.306 0.085 . 1 . . . . . 89 ALA N . 50852 1
317 . 1 . 1 90 90 ALA C C 13 175.119 0.092 . 1 . . . . . 90 ALA C . 50852 1
318 . 1 . 1 90 90 ALA CA C 13 54.260 0.067 . 1 . . . . . 90 ALA CA . 50852 1
319 . 1 . 1 90 90 ALA CB C 13 18.438 0.061 . 1 . . . . . 90 ALA CB . 50852 1
320 . 1 . 1 90 90 ALA N N 15 125.161 0.067 . 1 . . . . . 90 ALA N . 50852 1
321 . 1 . 1 91 91 ALA C C 13 175.812 0.055 . 1 . . . . . 91 ALA C . 50852 1
322 . 1 . 1 91 91 ALA CA C 13 50.683 0.065 . 1 . . . . . 91 ALA CA . 50852 1
323 . 1 . 1 91 91 ALA CB C 13 22.477 0.091 . 1 . . . . . 91 ALA CB . 50852 1
324 . 1 . 1 91 91 ALA N N 15 122.741 0.152 . 1 . . . . . 91 ALA N . 50852 1
325 . 1 . 1 92 92 THR C C 13 173.504 0.063 . 1 . . . . . 92 THR C . 50852 1
326 . 1 . 1 92 92 THR CA C 13 61.378 0.070 . 1 . . . . . 92 THR CA . 50852 1
327 . 1 . 1 92 92 THR CB C 13 70.830 0.036 . 1 . . . . . 92 THR CB . 50852 1
328 . 1 . 1 92 92 THR CG2 C 13 21.941 0.010 . 1 . . . . . 92 THR CG2 . 50852 1
329 . 1 . 1 92 92 THR N N 15 121.196 0.119 . 1 . . . . . 92 THR N . 50852 1
330 . 1 . 1 93 93 GLY CA C 13 44.822 0.031 . 1 . . . . . 93 GLY CA . 50852 1
331 . 1 . 1 93 93 GLY N N 15 110.184 0.081 . 1 . . . . . 93 GLY N . 50852 1
332 . 1 . 1 95 95 VAL C C 13 171.747 0.075 . 1 . . . . . 95 VAL C . 50852 1
333 . 1 . 1 95 95 VAL CA C 13 61.685 0.046 . 1 . . . . . 95 VAL CA . 50852 1
334 . 1 . 1 95 95 VAL CB C 13 35.161 0.077 . 1 . . . . . 95 VAL CB . 50852 1
335 . 1 . 1 95 95 VAL N N 15 123.874 0.018 . 1 . . . . . 95 VAL N . 50852 1
336 . 1 . 1 96 96 LYS CA C 13 54.398 0.054 . 1 . . . . . 96 LYS CA . 50852 1
337 . 1 . 1 96 96 LYS CB C 13 38.234 0.020 . 1 . . . . . 96 LYS CB . 50852 1
338 . 1 . 1 96 96 LYS N N 15 132.479 0.165 . 1 . . . . . 96 LYS N . 50852 1
339 . 1 . 1 97 97 LYS C C 13 173.889 0.023 . 1 . . . . . 97 LYS C . 50852 1
340 . 1 . 1 97 97 LYS CA C 13 54.215 0.047 . 1 . . . . . 97 LYS CA . 50852 1
341 . 1 . 1 97 97 LYS CB C 13 35.318 0.083 . 1 . . . . . 97 LYS CB . 50852 1
342 . 1 . 1 97 97 LYS N N 15 127.744 0.119 . 1 . . . . . 97 LYS N . 50852 1
stop_
save_