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 50305
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'assigned NaK1K K+'
_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 NCA' . . . 50305 1
2 '2D NCO' . . . 50305 1
3 '2D 13C/13C PDSD' . . . 50305 1
4 '3D NCACO' . . . 50305 1
5 '3D NCACB' . . . 50305 1
6 '3D NCOCA' . . . 50305 1
7 '3D CANCO' . . . 50305 1
8 '3D NCOCACB' . . . 50305 1
9 '3D NCACX' . . . 50305 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 . . 50305 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 12 12 VAL C C 13 178.304 0.090 . 1 . . . . . 29 VAL C . 50305 1
2 . 1 . 1 12 12 VAL CA C 13 67.592 0.151 . 1 . . . . . 29 VAL CA . 50305 1
3 . 1 . 1 12 12 VAL CB C 13 31.370 0.038 . 1 . . . . . 29 VAL CB . 50305 1
4 . 1 . 1 12 12 VAL N N 15 118.620 0.000 . 1 . . . . . 29 VAL N . 50305 1
5 . 1 . 1 13 13 LEU C C 13 180.324 0.051 . 1 . . . . . 30 LEU C . 50305 1
6 . 1 . 1 13 13 LEU CA C 13 58.301 0.128 . 1 . . . . . 30 LEU CA . 50305 1
7 . 1 . 1 13 13 LEU CB C 13 41.753 0.076 . 1 . . . . . 30 LEU CB . 50305 1
8 . 1 . 1 13 13 LEU CG C 13 26.366 0.000 . 1 . . . . . 30 LEU CG . 50305 1
9 . 1 . 1 13 13 LEU N N 15 118.418 0.318 . 1 . . . . . 30 LEU N . 50305 1
10 . 1 . 1 14 14 THR C C 13 176.394 0.042 . 1 . . . . . 31 THR C . 50305 1
11 . 1 . 1 14 14 THR CA C 13 68.644 0.077 . 1 . . . . . 31 THR CA . 50305 1
12 . 1 . 1 14 14 THR CB C 13 67.775 0.000 . 1 . . . . . 31 THR CB . 50305 1
13 . 1 . 1 14 14 THR N N 15 121.214 0.232 . 1 . . . . . 31 THR N . 50305 1
14 . 1 . 1 15 15 ILE C C 13 178.375 0.000 . 1 . . . . . 32 ILE C . 50305 1
15 . 1 . 1 15 15 ILE CA C 13 65.005 0.090 . 1 . . . . . 32 ILE CA . 50305 1
16 . 1 . 1 15 15 ILE CB C 13 36.262 0.171 . 1 . . . . . 32 ILE CB . 50305 1
17 . 1 . 1 15 15 ILE CG1 C 13 28.852 0.000 . 1 . . . . . 32 ILE CG1 . 50305 1
18 . 1 . 1 15 15 ILE CG2 C 13 17.668 0.000 . 1 . . . . . 32 ILE CG2 . 50305 1
19 . 1 . 1 15 15 ILE N N 15 121.783 0.304 . 1 . . . . . 32 ILE N . 50305 1
20 . 1 . 1 16 16 LEU C C 13 180.370 0.086 . 1 . . . . . 33 LEU C . 50305 1
21 . 1 . 1 16 16 LEU CA C 13 58.276 0.080 . 1 . . . . . 33 LEU CA . 50305 1
22 . 1 . 1 16 16 LEU CB C 13 41.753 0.076 . 1 . . . . . 33 LEU CB . 50305 1
23 . 1 . 1 16 16 LEU CG C 13 26.366 0.000 . 1 . . . . . 33 LEU CG . 50305 1
24 . 1 . 1 16 16 LEU N N 15 118.588 0.156 . 1 . . . . . 33 LEU N . 50305 1
25 . 1 . 1 17 17 THR C C 13 179.171 0.066 . 1 . . . . . 34 THR C . 50305 1
26 . 1 . 1 17 17 THR CA C 13 67.950 0.197 . 1 . . . . . 34 THR CA . 50305 1
27 . 1 . 1 17 17 THR CB C 13 68.711 0.085 . 1 . . . . . 34 THR CB . 50305 1
28 . 1 . 1 17 17 THR N N 15 121.184 0.228 . 1 . . . . . 34 THR N . 50305 1
29 . 1 . 1 18 18 LEU C C 13 180.327 0.017 . 1 . . . . . 35 LEU C . 50305 1
30 . 1 . 1 18 18 LEU CA C 13 58.578 0.089 . 1 . . . . . 35 LEU CA . 50305 1
31 . 1 . 1 18 18 LEU CB C 13 42.143 0.000 . 1 . . . . . 35 LEU CB . 50305 1
32 . 1 . 1 18 18 LEU CG C 13 26.529 0.000 . 1 . . . . . 35 LEU CG . 50305 1
33 . 1 . 1 18 18 LEU N N 15 126.593 0.103 . 1 . . . . . 35 LEU N . 50305 1
34 . 1 . 1 19 19 ILE C C 13 177.266 0.055 . 1 . . . . . 36 ILE C . 50305 1
35 . 1 . 1 19 19 ILE CA C 13 66.407 0.035 . 1 . . . . . 36 ILE CA . 50305 1
36 . 1 . 1 19 19 ILE CB C 13 38.379 0.066 . 1 . . . . . 36 ILE CB . 50305 1
37 . 1 . 1 19 19 ILE N N 15 122.420 0.196 . 1 . . . . . 36 ILE N . 50305 1
38 . 1 . 1 20 20 SER C C 13 176.127 0.068 . 1 . . . . . 37 SER C . 50305 1
39 . 1 . 1 20 20 SER CA C 13 63.955 0.054 . 1 . . . . . 37 SER CA . 50305 1
40 . 1 . 1 20 20 SER CB C 13 63.318 0.049 . 1 . . . . . 37 SER CB . 50305 1
41 . 1 . 1 20 20 SER N N 15 115.866 0.224 . 1 . . . . . 37 SER N . 50305 1
42 . 1 . 1 21 21 GLY C C 13 175.002 0.023 . 1 . . . . . 38 GLY C . 50305 1
43 . 1 . 1 21 21 GLY CA C 13 46.943 0.060 . 1 . . . . . 38 GLY CA . 50305 1
44 . 1 . 1 21 21 GLY N N 15 107.576 0.131 . 1 . . . . . 38 GLY N . 50305 1
45 . 1 . 1 22 22 THR C C 13 177.252 0.132 . 1 . . . . . 39 THR C . 50305 1
46 . 1 . 1 22 22 THR CA C 13 67.879 0.113 . 1 . . . . . 39 THR CA . 50305 1
47 . 1 . 1 22 22 THR CB C 13 68.174 0.000 . 1 . . . . . 39 THR CB . 50305 1
48 . 1 . 1 22 22 THR CG2 C 13 21.027 0.024 . 1 . . . . . 39 THR CG2 . 50305 1
49 . 1 . 1 22 22 THR N N 15 118.448 0.030 . 1 . . . . . 39 THR N . 50305 1
50 . 1 . 1 23 23 ILE C C 13 178.118 0.046 . 1 . . . . . 40 ILE C . 50305 1
51 . 1 . 1 23 23 ILE CA C 13 65.398 0.070 . 1 . . . . . 40 ILE CA . 50305 1
52 . 1 . 1 23 23 ILE CB C 13 38.487 0.050 . 1 . . . . . 40 ILE CB . 50305 1
53 . 1 . 1 23 23 ILE CG1 C 13 28.917 0.000 . 1 . . . . . 40 ILE CG1 . 50305 1
54 . 1 . 1 23 23 ILE N N 15 120.106 0.120 . 1 . . . . . 40 ILE N . 50305 1
55 . 1 . 1 24 24 PHE C C 13 177.021 0.051 . 1 . . . . . 41 PHE C . 50305 1
56 . 1 . 1 24 24 PHE CA C 13 63.112 0.103 . 1 . . . . . 41 PHE CA . 50305 1
57 . 1 . 1 24 24 PHE CB C 13 38.336 0.083 . 1 . . . . . 41 PHE CB . 50305 1
58 . 1 . 1 24 24 PHE N N 15 121.595 0.228 . 1 . . . . . 41 PHE N . 50305 1
59 . 1 . 1 25 25 TYR C C 13 178.454 0.102 . 1 . . . . . 42 TYR C . 50305 1
60 . 1 . 1 25 25 TYR CA C 13 62.462 0.083 . 1 . . . . . 42 TYR CA . 50305 1
61 . 1 . 1 25 25 TYR CB C 13 37.469 0.021 . 1 . . . . . 42 TYR CB . 50305 1
62 . 1 . 1 25 25 TYR N N 15 116.153 0.089 . 1 . . . . . 42 TYR N . 50305 1
63 . 1 . 1 26 26 SER CA C 13 60.837 0.057 . 1 . . . . . 43 SER CA . 50305 1
64 . 1 . 1 26 26 SER CB C 13 64.097 0.063 . 1 . . . . . 43 SER CB . 50305 1
65 . 1 . 1 26 26 SER N N 15 114.017 0.042 . 1 . . . . . 43 SER N . 50305 1
66 . 1 . 1 28 28 VAL C C 13 177.031 0.040 . 1 . . . . . 45 VAL C . 50305 1
67 . 1 . 1 28 28 VAL CA C 13 65.248 0.057 . 1 . . . . . 45 VAL CA . 50305 1
68 . 1 . 1 28 28 VAL CB C 13 31.915 0.023 . 1 . . . . . 45 VAL CB . 50305 1
69 . 1 . 1 28 28 VAL CG1 C 13 21.066 0.000 . 2 . . . . . 45 VAL CG1 . 50305 1
70 . 1 . 1 28 28 VAL CG2 C 13 22.577 0.000 . 2 . . . . . 45 VAL CG2 . 50305 1
71 . 1 . 1 28 28 VAL N N 15 119.950 0.000 . 1 . . . . . 45 VAL N . 50305 1
72 . 1 . 1 29 29 GLU C C 13 176.672 0.041 . 1 . . . . . 46 GLU C . 50305 1
73 . 1 . 1 29 29 GLU CA C 13 55.583 0.049 . 1 . . . . . 46 GLU CA . 50305 1
74 . 1 . 1 29 29 GLU CB C 13 29.593 0.096 . 1 . . . . . 46 GLU CB . 50305 1
75 . 1 . 1 29 29 GLU CG C 13 36.721 0.058 . 1 . . . . . 46 GLU CG . 50305 1
76 . 1 . 1 29 29 GLU CD C 13 181.786 0.006 . 1 . . . . . 46 GLU CD . 50305 1
77 . 1 . 1 29 29 GLU N N 15 111.923 0.081 . 1 . . . . . 46 GLU N . 50305 1
78 . 1 . 1 30 30 GLY C C 13 174.220 0.051 . 1 . . . . . 47 GLY C . 50305 1
79 . 1 . 1 30 30 GLY CA C 13 46.693 0.042 . 1 . . . . . 47 GLY CA . 50305 1
80 . 1 . 1 30 30 GLY N N 15 105.607 0.060 . 1 . . . . . 47 GLY N . 50305 1
81 . 1 . 1 31 31 LEU C C 13 177.770 0.016 . 1 . . . . . 48 LEU C . 50305 1
82 . 1 . 1 31 31 LEU CA C 13 54.369 0.085 . 1 . . . . . 48 LEU CA . 50305 1
83 . 1 . 1 31 31 LEU CB C 13 42.525 0.052 . 1 . . . . . 48 LEU CB . 50305 1
84 . 1 . 1 31 31 LEU CG C 13 27.398 0.000 . 1 . . . . . 48 LEU CG . 50305 1
85 . 1 . 1 31 31 LEU CD1 C 13 22.736 0.018 . 2 . . . . . 48 LEU CD1 . 50305 1
86 . 1 . 1 31 31 LEU CD2 C 13 24.996 0.014 . 2 . . . . . 48 LEU CD2 . 50305 1
87 . 1 . 1 31 31 LEU N N 15 119.213 0.055 . 1 . . . . . 48 LEU N . 50305 1
88 . 1 . 1 32 32 ARG C C 13 176.473 0.014 . 1 . . . . . 49 ARG C . 50305 1
89 . 1 . 1 32 32 ARG CA C 13 55.307 0.065 . 1 . . . . . 49 ARG CA . 50305 1
90 . 1 . 1 32 32 ARG CB C 13 30.870 0.018 . 1 . . . . . 49 ARG CB . 50305 1
91 . 1 . 1 32 32 ARG CG C 13 27.190 0.040 . 1 . . . . . 49 ARG CG . 50305 1
92 . 1 . 1 32 32 ARG CD C 13 43.879 0.000 . 1 . . . . . 49 ARG CD . 50305 1
93 . 1 . 1 32 32 ARG N N 15 122.011 0.113 . 1 . . . . . 49 ARG N . 50305 1
94 . 1 . 1 33 33 PRO C C 13 177.615 0.061 . 1 . . . . . 50 PRO C . 50305 1
95 . 1 . 1 33 33 PRO CA C 13 66.939 0.048 . 1 . . . . . 50 PRO CA . 50305 1
96 . 1 . 1 33 33 PRO CB C 13 31.879 0.004 . 1 . . . . . 50 PRO CB . 50305 1
97 . 1 . 1 33 33 PRO CG C 13 28.043 0.024 . 1 . . . . . 50 PRO CG . 50305 1
98 . 1 . 1 33 33 PRO CD C 13 49.788 0.031 . 1 . . . . . 50 PRO CD . 50305 1
99 . 1 . 1 33 33 PRO N N 15 136.559 0.158 . 1 . . . . . 50 PRO N . 50305 1
100 . 1 . 1 34 34 ILE C C 13 176.024 0.042 . 1 . . . . . 51 ILE C . 50305 1
101 . 1 . 1 34 34 ILE CA C 13 64.027 0.052 . 1 . . . . . 51 ILE CA . 50305 1
102 . 1 . 1 34 34 ILE CB C 13 36.675 0.068 . 1 . . . . . 51 ILE CB . 50305 1
103 . 1 . 1 34 34 ILE N N 15 114.515 0.155 . 1 . . . . . 51 ILE N . 50305 1
104 . 1 . 1 35 35 ASP C C 13 177.434 0.047 . 1 . . . . . 52 ASP C . 50305 1
105 . 1 . 1 35 35 ASP CA C 13 57.073 0.031 . 1 . . . . . 52 ASP CA . 50305 1
106 . 1 . 1 35 35 ASP CB C 13 40.671 0.028 . 1 . . . . . 52 ASP CB . 50305 1
107 . 1 . 1 35 35 ASP CG C 13 178.600 0.017 . 1 . . . . . 52 ASP CG . 50305 1
108 . 1 . 1 35 35 ASP N N 15 122.345 0.134 . 1 . . . . . 52 ASP N . 50305 1
109 . 1 . 1 36 36 ALA C C 13 180.400 0.034 . 1 . . . . . 53 ALA C . 50305 1
110 . 1 . 1 36 36 ALA CA C 13 55.061 0.046 . 1 . . . . . 53 ALA CA . 50305 1
111 . 1 . 1 36 36 ALA CB C 13 20.906 0.098 . 1 . . . . . 53 ALA CB . 50305 1
112 . 1 . 1 36 36 ALA N N 15 122.934 0.055 . 1 . . . . . 53 ALA N . 50305 1
113 . 1 . 1 37 37 LEU C C 13 177.780 0.081 . 1 . . . . . 54 LEU C . 50305 1
114 . 1 . 1 37 37 LEU CA C 13 58.164 0.040 . 1 . . . . . 54 LEU CA . 50305 1
115 . 1 . 1 37 37 LEU CB C 13 40.612 0.052 . 1 . . . . . 54 LEU CB . 50305 1
116 . 1 . 1 37 37 LEU CG C 13 27.813 0.048 . 1 . . . . . 54 LEU CG . 50305 1
117 . 1 . 1 37 37 LEU CD1 C 13 22.637 0.025 . 2 . . . . . 54 LEU CD1 . 50305 1
118 . 1 . 1 37 37 LEU CD2 C 13 26.800 0.018 . 2 . . . . . 54 LEU CD2 . 50305 1
119 . 1 . 1 37 37 LEU N N 15 123.978 0.053 . 1 . . . . . 54 LEU N . 50305 1
120 . 1 . 1 38 38 TYR C C 13 175.934 0.053 . 1 . . . . . 55 TYR C . 50305 1
121 . 1 . 1 38 38 TYR CA C 13 61.010 0.051 . 1 . . . . . 55 TYR CA . 50305 1
122 . 1 . 1 38 38 TYR CB C 13 38.920 0.059 . 1 . . . . . 55 TYR CB . 50305 1
123 . 1 . 1 38 38 TYR CG C 13 127.032 0.218 . 1 . . . . . 55 TYR CG . 50305 1
124 . 1 . 1 38 38 TYR CD1 C 13 133.202 0.087 . 1 . . . . . 55 TYR CD1 . 50305 1
125 . 1 . 1 38 38 TYR CD2 C 13 133.202 0.087 . 1 . . . . . 55 TYR CD2 . 50305 1
126 . 1 . 1 38 38 TYR CE1 C 13 117.185 0.093 . 1 . . . . . 55 TYR CE1 . 50305 1
127 . 1 . 1 38 38 TYR CE2 C 13 117.185 0.093 . 1 . . . . . 55 TYR CE2 . 50305 1
128 . 1 . 1 38 38 TYR N N 15 120.483 0.084 . 1 . . . . . 55 TYR N . 50305 1
129 . 1 . 1 39 39 PHE C C 13 178.217 0.072 . 1 . . . . . 56 PHE C . 50305 1
130 . 1 . 1 39 39 PHE CA C 13 60.521 0.094 . 1 . . . . . 56 PHE CA . 50305 1
131 . 1 . 1 39 39 PHE CB C 13 37.941 0.064 . 1 . . . . . 56 PHE CB . 50305 1
132 . 1 . 1 39 39 PHE CD1 C 13 130.101 0.000 . 1 . . . . . 56 PHE CD1 . 50305 1
133 . 1 . 1 39 39 PHE CD2 C 13 130.101 0.000 . 1 . . . . . 56 PHE CD2 . 50305 1
134 . 1 . 1 39 39 PHE N N 15 120.354 0.091 . 1 . . . . . 56 PHE N . 50305 1
135 . 1 . 1 40 40 SER C C 13 176.316 0.072 . 1 . . . . . 57 SER C . 50305 1
136 . 1 . 1 40 40 SER CA C 13 64.826 0.122 . 1 . . . . . 57 SER CA . 50305 1
137 . 1 . 1 40 40 SER CB C 13 62.361 0.041 . 1 . . . . . 57 SER CB . 50305 1
138 . 1 . 1 40 40 SER N N 15 119.365 0.165 . 1 . . . . . 57 SER N . 50305 1
139 . 1 . 1 41 41 VAL C C 13 177.983 0.056 . 1 . . . . . 58 VAL C . 50305 1
140 . 1 . 1 41 41 VAL CA C 13 67.500 0.096 . 1 . . . . . 58 VAL CA . 50305 1
141 . 1 . 1 41 41 VAL CB C 13 31.955 0.056 . 1 . . . . . 58 VAL CB . 50305 1
142 . 1 . 1 41 41 VAL CG1 C 13 23.749 0.010 . 2 . . . . . 58 VAL CG1 . 50305 1
143 . 1 . 1 41 41 VAL CG2 C 13 21.379 0.038 . 2 . . . . . 58 VAL CG2 . 50305 1
144 . 1 . 1 41 41 VAL N N 15 121.349 0.193 . 1 . . . . . 58 VAL N . 50305 1
145 . 1 . 1 42 42 VAL C C 13 176.751 0.084 . 1 . . . . . 59 VAL C . 50305 1
146 . 1 . 1 42 42 VAL CA C 13 66.298 0.060 . 1 . . . . . 59 VAL CA . 50305 1
147 . 1 . 1 42 42 VAL CB C 13 32.516 0.031 . 1 . . . . . 59 VAL CB . 50305 1
148 . 1 . 1 42 42 VAL CG1 C 13 24.773 0.004 . 2 . . . . . 59 VAL CG1 . 50305 1
149 . 1 . 1 42 42 VAL CG2 C 13 23.622 0.016 . 2 . . . . . 59 VAL CG2 . 50305 1
150 . 1 . 1 42 42 VAL N N 15 121.712 0.193 . 1 . . . . . 59 VAL N . 50305 1
151 . 1 . 1 43 43 THR C C 13 175.219 0.053 . 1 . . . . . 60 THR C . 50305 1
152 . 1 . 1 43 43 THR CA C 13 68.153 0.057 . 1 . . . . . 60 THR CA . 50305 1
153 . 1 . 1 43 43 THR CG2 C 13 20.890 0.000 . 1 . . . . . 60 THR CG2 . 50305 1
154 . 1 . 1 43 43 THR N N 15 119.402 0.193 . 1 . . . . . 60 THR N . 50305 1
155 . 1 . 1 44 44 LEU C C 13 175.235 0.081 . 1 . . . . . 61 LEU C . 50305 1
156 . 1 . 1 44 44 LEU CA C 13 57.897 0.056 . 1 . . . . . 61 LEU CA . 50305 1
157 . 1 . 1 44 44 LEU CB C 13 43.848 0.103 . 1 . . . . . 61 LEU CB . 50305 1
158 . 1 . 1 44 44 LEU CG C 13 26.248 0.080 . 1 . . . . . 61 LEU CG . 50305 1
159 . 1 . 1 44 44 LEU N N 15 120.992 0.209 . 1 . . . . . 61 LEU N . 50305 1
160 . 1 . 1 45 45 THR C C 13 176.734 0.026 . 1 . . . . . 62 THR C . 50305 1
161 . 1 . 1 45 45 THR CA C 13 61.416 0.086 . 1 . . . . . 62 THR CA . 50305 1
162 . 1 . 1 45 45 THR CB C 13 69.357 0.061 . 1 . . . . . 62 THR CB . 50305 1
163 . 1 . 1 45 45 THR CG2 C 13 21.452 0.000 . 1 . . . . . 62 THR CG2 . 50305 1
164 . 1 . 1 45 45 THR N N 15 97.054 0.094 . 1 . . . . . 62 THR N . 50305 1
165 . 1 . 1 46 46 THR C C 13 172.838 0.059 . 1 . . . . . 63 THR C . 50305 1
166 . 1 . 1 46 46 THR CA C 13 63.524 0.061 . 1 . . . . . 63 THR CA . 50305 1
167 . 1 . 1 46 46 THR CB C 13 69.369 0.073 . 1 . . . . . 63 THR CB . 50305 1
168 . 1 . 1 46 46 THR CG2 C 13 20.654 0.095 . 1 . . . . . 63 THR CG2 . 50305 1
169 . 1 . 1 46 46 THR N N 15 109.996 0.081 . 1 . . . . . 63 THR N . 50305 1
170 . 1 . 1 47 47 VAL C C 13 180.028 0.061 . 1 . . . . . 64 VAL C . 50305 1
171 . 1 . 1 47 47 VAL CA C 13 66.067 0.079 . 1 . . . . . 64 VAL CA . 50305 1
172 . 1 . 1 47 47 VAL CB C 13 31.488 0.063 . 1 . . . . . 64 VAL CB . 50305 1
173 . 1 . 1 47 47 VAL CG1 C 13 20.614 0.083 . 2 . . . . . 64 VAL CG1 . 50305 1
174 . 1 . 1 47 47 VAL CG2 C 13 22.382 0.041 . 2 . . . . . 64 VAL CG2 . 50305 1
175 . 1 . 1 47 47 VAL N N 15 122.348 0.139 . 1 . . . . . 64 VAL N . 50305 1
176 . 1 . 1 48 48 GLY C C 13 175.511 0.042 . 1 . . . . . 65 GLY C . 50305 1
177 . 1 . 1 48 48 GLY CA C 13 48.473 0.058 . 1 . . . . . 65 GLY CA . 50305 1
178 . 1 . 1 48 48 GLY N N 15 103.057 0.067 . 1 . . . . . 65 GLY N . 50305 1
179 . 1 . 1 49 49 PHE C C 13 178.362 0.052 . 1 . . . . . 66 PHE C . 50305 1
180 . 1 . 1 49 49 PHE CA C 13 60.626 0.071 . 1 . . . . . 66 PHE CA . 50305 1
181 . 1 . 1 49 49 PHE N N 15 116.219 0.036 . 1 . . . . . 66 PHE N . 50305 1
182 . 1 . 1 50 50 GLY C C 13 174.465 0.070 . 1 . . . . . 67 GLY C . 50305 1
183 . 1 . 1 50 50 GLY CA C 13 44.900 0.061 . 1 . . . . . 67 GLY CA . 50305 1
184 . 1 . 1 50 50 GLY N N 15 102.843 0.055 . 1 . . . . . 67 GLY N . 50305 1
185 . 1 . 1 51 51 ASP C C 13 176.072 0.065 . 1 . . . . . 68 ASP C . 50305 1
186 . 1 . 1 51 51 ASP CA C 13 55.531 0.051 . 1 . . . . . 68 ASP CA . 50305 1
187 . 1 . 1 51 51 ASP CB C 13 36.436 0.059 . 1 . . . . . 68 ASP CB . 50305 1
188 . 1 . 1 51 51 ASP CG C 13 179.702 0.011 . 1 . . . . . 68 ASP CG . 50305 1
189 . 1 . 1 51 51 ASP N N 15 120.369 0.050 . 1 . . . . . 68 ASP N . 50305 1
190 . 1 . 1 52 52 PHE C C 13 173.684 0.046 . 1 . . . . . 69 PHE C . 50305 1
191 . 1 . 1 52 52 PHE CA C 13 56.675 0.056 . 1 . . . . . 69 PHE CA . 50305 1
192 . 1 . 1 52 52 PHE N N 15 115.755 0.038 . 1 . . . . . 69 PHE N . 50305 1
193 . 1 . 1 53 53 SER C C 13 170.761 0.042 . 1 . . . . . 70 SER C . 50305 1
194 . 1 . 1 53 53 SER CA C 13 56.790 0.034 . 1 . . . . . 70 SER CA . 50305 1
195 . 1 . 1 53 53 SER CB C 13 61.510 0.028 . 1 . . . . . 70 SER CB . 50305 1
196 . 1 . 1 53 53 SER N N 15 112.458 0.046 . 1 . . . . . 70 SER N . 50305 1
197 . 1 . 1 54 54 PRO C C 13 175.851 0.111 . 1 . . . . . 71 PRO C . 50305 1
198 . 1 . 1 54 54 PRO CA C 13 62.687 0.038 . 1 . . . . . 71 PRO CA . 50305 1
199 . 1 . 1 54 54 PRO CB C 13 31.562 0.033 . 1 . . . . . 71 PRO CB . 50305 1
200 . 1 . 1 54 54 PRO CG C 13 28.953 0.012 . 1 . . . . . 71 PRO CG . 50305 1
201 . 1 . 1 54 54 PRO CD C 13 49.555 0.025 . 1 . . . . . 71 PRO CD . 50305 1
202 . 1 . 1 54 54 PRO N N 15 135.287 0.060 . 1 . . . . . 71 PRO N . 50305 1
203 . 1 . 1 55 55 GLN C C 13 177.836 0.092 . 1 . . . . . 72 GLN C . 50305 1
204 . 1 . 1 55 55 GLN CA C 13 54.910 0.083 . 1 . . . . . 72 GLN CA . 50305 1
205 . 1 . 1 55 55 GLN CB C 13 31.150 0.050 . 1 . . . . . 72 GLN CB . 50305 1
206 . 1 . 1 55 55 GLN CG C 13 34.060 0.045 . 1 . . . . . 72 GLN CG . 50305 1
207 . 1 . 1 55 55 GLN CD C 13 180.312 0.132 . 1 . . . . . 72 GLN CD . 50305 1
208 . 1 . 1 55 55 GLN N N 15 121.558 0.158 . 1 . . . . . 72 GLN N . 50305 1
209 . 1 . 1 56 56 THR C C 13 175.286 0.054 . 1 . . . . . 73 THR C . 50305 1
210 . 1 . 1 56 56 THR CA C 13 60.312 0.054 . 1 . . . . . 73 THR CA . 50305 1
211 . 1 . 1 56 56 THR CB C 13 71.945 0.057 . 1 . . . . . 73 THR CB . 50305 1
212 . 1 . 1 56 56 THR CG2 C 13 21.579 0.066 . 1 . . . . . 73 THR CG2 . 50305 1
213 . 1 . 1 56 56 THR N N 15 115.153 0.111 . 1 . . . . . 73 THR N . 50305 1
214 . 1 . 1 57 57 ASP C C 13 179.024 0.058 . 1 . . . . . 74 ASP C . 50305 1
215 . 1 . 1 57 57 ASP CA C 13 58.068 0.036 . 1 . . . . . 74 ASP CA . 50305 1
216 . 1 . 1 57 57 ASP CB C 13 39.054 0.073 . 1 . . . . . 74 ASP CB . 50305 1
217 . 1 . 1 57 57 ASP N N 15 125.777 0.067 . 1 . . . . . 74 ASP N . 50305 1
218 . 1 . 1 58 58 PHE C C 13 178.224 0.034 . 1 . . . . . 75 PHE C . 50305 1
219 . 1 . 1 58 58 PHE CA C 13 58.466 0.206 . 1 . . . . . 75 PHE CA . 50305 1
220 . 1 . 1 58 58 PHE N N 15 119.981 0.046 . 1 . . . . . 75 PHE N . 50305 1
221 . 1 . 1 59 59 GLY C C 13 178.683 0.040 . 1 . . . . . 76 GLY C . 50305 1
222 . 1 . 1 59 59 GLY CA C 13 46.798 0.063 . 1 . . . . . 76 GLY CA . 50305 1
223 . 1 . 1 59 59 GLY N N 15 107.593 0.042 . 1 . . . . . 76 GLY N . 50305 1
224 . 1 . 1 60 60 LYS C C 13 177.692 0.062 . 1 . . . . . 77 LYS C . 50305 1
225 . 1 . 1 60 60 LYS CA C 13 61.385 0.049 . 1 . . . . . 77 LYS CA . 50305 1
226 . 1 . 1 60 60 LYS CB C 13 32.905 0.020 . 1 . . . . . 77 LYS CB . 50305 1
227 . 1 . 1 60 60 LYS CG C 13 26.734 0.023 . 1 . . . . . 77 LYS CG . 50305 1
228 . 1 . 1 60 60 LYS CD C 13 29.718 0.011 . 1 . . . . . 77 LYS CD . 50305 1
229 . 1 . 1 60 60 LYS CE C 13 42.603 0.025 . 1 . . . . . 77 LYS CE . 50305 1
230 . 1 . 1 60 60 LYS N N 15 128.641 0.031 . 1 . . . . . 77 LYS N . 50305 1
231 . 1 . 1 61 61 ILE C C 13 177.761 0.072 . 1 . . . . . 78 ILE C . 50305 1
232 . 1 . 1 61 61 ILE CA C 13 64.973 0.093 . 1 . . . . . 78 ILE CA . 50305 1
233 . 1 . 1 61 61 ILE CB C 13 37.104 0.076 . 1 . . . . . 78 ILE CB . 50305 1
234 . 1 . 1 61 61 ILE CG2 C 13 17.434 0.000 . 1 . . . . . 78 ILE CG2 . 50305 1
235 . 1 . 1 61 61 ILE N N 15 119.138 0.171 . 1 . . . . . 78 ILE N . 50305 1
236 . 1 . 1 62 62 PHE C C 13 176.337 0.039 . 1 . . . . . 79 PHE C . 50305 1
237 . 1 . 1 62 62 PHE CA C 13 62.334 0.059 . 1 . . . . . 79 PHE CA . 50305 1
238 . 1 . 1 62 62 PHE CB C 13 42.513 0.000 . 1 . . . . . 79 PHE CB . 50305 1
239 . 1 . 1 62 62 PHE N N 15 118.666 0.104 . 1 . . . . . 79 PHE N . 50305 1
240 . 1 . 1 63 63 THR C C 13 174.719 0.063 . 1 . . . . . 80 THR C . 50305 1
241 . 1 . 1 63 63 THR CA C 13 67.293 0.052 . 1 . . . . . 80 THR CA . 50305 1
242 . 1 . 1 63 63 THR CB C 13 68.782 0.075 . 1 . . . . . 80 THR CB . 50305 1
243 . 1 . 1 63 63 THR CG2 C 13 21.144 0.088 . 1 . . . . . 80 THR CG2 . 50305 1
244 . 1 . 1 63 63 THR N N 15 113.530 0.086 . 1 . . . . . 80 THR N . 50305 1
245 . 1 . 1 64 64 ILE C C 13 175.498 0.063 . 1 . . . . . 81 ILE C . 50305 1
246 . 1 . 1 64 64 ILE CA C 13 66.478 0.113 . 1 . . . . . 81 ILE CA . 50305 1
247 . 1 . 1 64 64 ILE CB C 13 38.221 0.009 . 1 . . . . . 81 ILE CB . 50305 1
248 . 1 . 1 64 64 ILE N N 15 120.529 0.165 . 1 . . . . . 81 ILE N . 50305 1
249 . 1 . 1 65 65 LEU C C 13 176.924 0.066 . 1 . . . . . 82 LEU C . 50305 1
250 . 1 . 1 65 65 LEU CA C 13 57.907 0.055 . 1 . . . . . 82 LEU CA . 50305 1
251 . 1 . 1 65 65 LEU CB C 13 41.265 0.074 . 1 . . . . . 82 LEU CB . 50305 1
252 . 1 . 1 65 65 LEU N N 15 116.293 0.100 . 1 . . . . . 82 LEU N . 50305 1
253 . 1 . 1 66 66 TYR C C 13 177.064 0.059 . 1 . . . . . 83 TYR C . 50305 1
254 . 1 . 1 66 66 TYR CA C 13 62.505 0.080 . 1 . . . . . 83 TYR CA . 50305 1
255 . 1 . 1 66 66 TYR CB C 13 40.669 0.073 . 1 . . . . . 83 TYR CB . 50305 1
256 . 1 . 1 66 66 TYR N N 15 120.446 0.093 . 1 . . . . . 83 TYR N . 50305 1
257 . 1 . 1 67 67 ILE C C 13 178.145 0.084 . 1 . . . . . 84 ILE C . 50305 1
258 . 1 . 1 67 67 ILE CA C 13 65.392 0.079 . 1 . . . . . 84 ILE CA . 50305 1
259 . 1 . 1 67 67 ILE CB C 13 38.168 0.073 . 1 . . . . . 84 ILE CB . 50305 1
260 . 1 . 1 67 67 ILE N N 15 115.929 0.042 . 1 . . . . . 84 ILE N . 50305 1
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