Content for NMR-STAR saveframe, assigned_chemical_shifts_3
save_assigned_chemical_shifts_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3
_Assigned_chem_shift_list.Entry_ID 52793
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Name '1,3 glycerol above the phase transition'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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
14 '3D CCC' . . . 52793 3
15 '2D DARR' . . . 52793 3
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52793 3
2 $software_2 . . 52793 3
4 $software_4 . . 52793 3
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 MET C C 13 174.927 0.082 . 1 . . . . . 1 M C . 52793 3
2 . 1 . 1 1 1 MET CA C 13 54.082 0.038 . 1 . . . . . 1 M CA . 52793 3
3 . 1 . 1 1 1 MET CB C 13 31.901 0.000 . 1 . . . . . 1 M CB . 52793 3
4 . 1 . 1 2 2 ASN C C 13 174.935 0.010 . 1 . . . . . 2 N C . 52793 3
5 . 1 . 1 2 2 ASN CB C 13 38.874 0.034 . 1 . . . . . 2 N CB . 52793 3
6 . 1 . 1 3 3 PRO C C 13 177.592 0.099 . 1 . . . . . 3 P C . 52793 3
7 . 1 . 1 3 3 PRO CB C 13 31.005 0.116 . 1 . . . . . 3 P CB . 52793 3
8 . 1 . 1 5 5 ILE CA C 13 64.155 0.085 . 1 . . . . . 5 I CA . 52793 3
9 . 1 . 1 5 5 ILE CG1 C 13 28.677 0.129 . 1 . . . . . 5 I CG1 . 52793 3
10 . 1 . 1 5 5 ILE CG2 C 13 18.485 0.118 . 1 . . . . . 5 I CG2 . 52793 3
11 . 1 . 1 5 5 ILE CD1 C 13 13.273 0.125 . 1 . . . . . 5 I CD1 . 52793 3
12 . 1 . 1 7 7 LEU C C 13 179.080 0.020 . 1 . . . . . 7 L C . 52793 3
13 . 1 . 1 7 7 LEU CA C 13 57.457 0.090 . 1 . . . . . 7 L CA . 52793 3
14 . 1 . 1 7 7 LEU CD2 C 13 24.489 0.051 . 2 . . . . . 7 L CD2 . 52793 3
15 . 1 . 1 9 9 GLY C C 13 174.670 0.000 . 1 . . . . . 9 G C . 52793 3
16 . 1 . 1 10 10 ALA C C 13 182.072 0.028 . 1 . . . . . 10 A C . 52793 3
17 . 1 . 1 10 10 ALA CA C 13 55.703 0.084 . 1 . . . . . 10 A CA . 52793 3
18 . 1 . 1 10 10 ALA CB C 13 18.656 0.152 . 1 . . . . . 10 A CB . 52793 3
19 . 1 . 1 11 11 ILE CA C 13 64.629 0.047 . 1 . . . . . 11 I CA . 52793 3
20 . 1 . 1 11 11 ILE CB C 13 38.398 0.056 . 1 . . . . . 11 I CB . 52793 3
21 . 1 . 1 11 11 ILE CG2 C 13 17.825 0.057 . 1 . . . . . 11 I CG2 . 52793 3
22 . 1 . 1 12 12 LEU CA C 13 58.454 0.039 . 1 . . . . . 12 L CA . 52793 3
23 . 1 . 1 12 12 LEU CB C 13 41.140 0.000 . 1 . . . . . 12 L CB . 52793 3
24 . 1 . 1 12 12 LEU CG C 13 27.538 0.000 . 1 . . . . . 12 L CG . 52793 3
25 . 1 . 1 12 12 LEU CD1 C 13 24.287 0.104 . 2 . . . . . 12 L CD1 . 52793 3
26 . 1 . 1 13 13 ALA C C 13 178.347 0.007 . 1 . . . . . 13 A C . 52793 3
27 . 1 . 1 14 14 GLU C C 13 178.541 0.125 . 1 . . . . . 14 E C . 52793 3
28 . 1 . 1 14 14 GLU CA C 13 58.415 0.024 . 1 . . . . . 14 E CA . 52793 3
29 . 1 . 1 14 14 GLU CB C 13 26.929 0.104 . 1 . . . . . 14 E CB . 52793 3
30 . 1 . 1 16 16 ILE C C 13 177.798 0.137 . 1 . . . . . 16 I C . 52793 3
31 . 1 . 1 16 16 ILE CA C 13 65.001 0.072 . 1 . . . . . 16 I CA . 52793 3
32 . 1 . 1 16 16 ILE CB C 13 37.852 0.050 . 1 . . . . . 16 I CB . 52793 3
33 . 1 . 1 16 16 ILE CG1 C 13 29.127 0.000 . 1 . . . . . 16 I CG1 . 52793 3
34 . 1 . 1 16 16 ILE CG2 C 13 17.648 0.073 . 1 . . . . . 16 I CG2 . 52793 3
35 . 1 . 1 16 16 ILE CD1 C 13 13.093 0.074 . 1 . . . . . 16 I CD1 . 52793 3
36 . 1 . 1 18 18 THR C C 13 174.763 0.042 . 1 . . . . . 18 T C . 52793 3
37 . 1 . 1 18 18 THR CA C 13 65.914 0.109 . 1 . . . . . 18 T CA . 52793 3
38 . 1 . 1 18 18 THR CB C 13 67.802 0.000 . 1 . . . . . 18 T CB . 52793 3
39 . 1 . 1 18 18 THR CG2 C 13 21.443 0.082 . 1 . . . . . 18 T CG2 . 52793 3
40 . 1 . 1 19 19 THR C C 13 176.800 0.113 . 1 . . . . . 19 T C . 52793 3
41 . 1 . 1 19 19 THR CA C 13 67.212 0.094 . 1 . . . . . 19 T CA . 52793 3
42 . 1 . 1 19 19 THR CB C 13 68.571 0.095 . 1 . . . . . 19 T CB . 52793 3
43 . 1 . 1 19 19 THR CG2 C 13 21.448 0.113 . 1 . . . . . 19 T CG2 . 52793 3
44 . 1 . 1 20 20 LEU CD2 C 13 22.793 0.035 . 2 . . . . . 20 L CD2 . 52793 3
45 . 1 . 1 21 21 MET C C 13 181.587 0.000 . 1 . . . . . 21 M C . 52793 3
46 . 1 . 1 21 21 MET CA C 13 59.565 0.001 . 1 . . . . . 21 M CA . 52793 3
47 . 1 . 1 21 21 MET CB C 13 31.893 0.096 . 1 . . . . . 21 M CB . 52793 3
48 . 1 . 1 22 22 LYS C C 13 178.207 0.094 . 1 . . . . . 22 K C . 52793 3
49 . 1 . 1 22 22 LYS CA C 13 59.629 0.068 . 1 . . . . . 22 K CA . 52793 3
50 . 1 . 1 22 22 LYS CB C 13 30.802 0.148 . 1 . . . . . 22 K CB . 52793 3
51 . 1 . 1 22 22 LYS CG C 13 24.152 0.000 . 1 . . . . . 22 K CG . 52793 3
52 . 1 . 1 22 22 LYS CE C 13 42.069 0.025 . 1 . . . . . 22 K CE . 52793 3
53 . 1 . 1 23 23 PHE CB C 13 38.734 0.000 . 1 . . . . . 23 F CB . 52793 3
54 . 1 . 1 24 24 SER C C 13 173.391 0.112 . 1 . . . . . 24 S C . 52793 3
55 . 1 . 1 24 24 SER CB C 13 63.856 0.023 . 1 . . . . . 24 S CB . 52793 3
56 . 1 . 1 25 25 GLU C C 13 178.124 0.109 . 1 . . . . . 25 E C . 52793 3
57 . 1 . 1 25 25 GLU CA C 13 55.937 0.068 . 1 . . . . . 25 E CA . 52793 3
58 . 1 . 1 25 25 GLU CB C 13 26.470 0.070 . 1 . . . . . 25 E CB . 52793 3
59 . 1 . 1 25 25 GLU CG C 13 35.607 0.188 . 1 . . . . . 25 E CG . 52793 3
60 . 1 . 1 26 26 GLY C C 13 175.449 0.000 . 1 . . . . . 26 G C . 52793 3
61 . 1 . 1 27 27 PHE C C 13 173.608 0.047 . 1 . . . . . 27 F C . 52793 3
62 . 1 . 1 27 27 PHE CB C 13 37.185 0.000 . 1 . . . . . 27 F CB . 52793 3
63 . 1 . 1 28 28 THR C C 13 174.836 0.127 . 1 . . . . . 28 T C . 52793 3
64 . 1 . 1 28 28 THR CA C 13 61.940 0.053 . 1 . . . . . 28 T CA . 52793 3
65 . 1 . 1 28 28 THR CB C 13 70.720 0.037 . 1 . . . . . 28 T CB . 52793 3
66 . 1 . 1 28 28 THR CG2 C 13 21.456 0.083 . 1 . . . . . 28 T CG2 . 52793 3
67 . 1 . 1 29 29 ARG C C 13 178.094 0.080 . 1 . . . . . 29 R C . 52793 3
68 . 1 . 1 29 29 ARG CA C 13 54.051 0.074 . 1 . . . . . 29 R CA . 52793 3
69 . 1 . 1 29 29 ARG CB C 13 31.341 0.079 . 1 . . . . . 29 R CB . 52793 3
70 . 1 . 1 30 30 LEU C C 13 177.302 0.082 . 1 . . . . . 30 L C . 52793 3
71 . 1 . 1 30 30 LEU CA C 13 60.122 0.050 . 1 . . . . . 30 L CA . 52793 3
72 . 1 . 1 30 30 LEU CG C 13 26.615 0.055 . 1 . . . . . 30 L CG . 52793 3
73 . 1 . 1 30 30 LEU CD1 C 13 23.162 0.037 . 2 . . . . . 30 L CD1 . 52793 3
74 . 1 . 1 30 30 LEU CD2 C 13 22.918 0.025 . 2 . . . . . 30 L CD2 . 52793 3
75 . 1 . 1 31 31 TRP C C 13 176.089 0.035 . 1 . . . . . 31 W C . 52793 3
76 . 1 . 1 32 32 PRO C C 13 177.695 0.009 . 1 . . . . . 32 P C . 52793 3
77 . 1 . 1 32 32 PRO CA C 13 65.693 0.063 . 1 . . . . . 32 P CA . 52793 3
78 . 1 . 1 32 32 PRO CB C 13 31.493 0.105 . 1 . . . . . 32 P CB . 52793 3
79 . 1 . 1 32 32 PRO CG C 13 28.747 0.075 . 1 . . . . . 32 P CG . 52793 3
80 . 1 . 1 33 33 SER C C 13 174.891 0.102 . 1 . . . . . 33 S C . 52793 3
81 . 1 . 1 33 33 SER CA C 13 62.602 0.070 . 1 . . . . . 33 S CA . 52793 3
82 . 1 . 1 34 34 VAL C C 13 178.644 0.000 . 1 . . . . . 34 V C . 52793 3
83 . 1 . 1 34 34 VAL CG1 C 13 21.608 0.015 . 2 . . . . . 34 V CG1 . 52793 3
84 . 1 . 1 34 34 VAL CG2 C 13 23.064 0.074 . 2 . . . . . 34 V CG2 . 52793 3
85 . 1 . 1 35 35 GLY C C 13 174.691 0.078 . 1 . . . . . 35 G C . 52793 3
86 . 1 . 1 36 36 THR C C 13 174.760 0.099 . 1 . . . . . 36 T C . 52793 3
87 . 1 . 1 36 36 THR CA C 13 67.057 0.061 . 1 . . . . . 36 T CA . 52793 3
88 . 1 . 1 36 36 THR CB C 13 68.707 0.040 . 1 . . . . . 36 T CB . 52793 3
89 . 1 . 1 36 36 THR CG2 C 13 22.415 0.112 . 1 . . . . . 36 T CG2 . 52793 3
90 . 1 . 1 37 37 ILE C C 13 178.933 0.088 . 1 . . . . . 37 I C . 52793 3
91 . 1 . 1 37 37 ILE CA C 13 64.971 0.054 . 1 . . . . . 37 I CA . 52793 3
92 . 1 . 1 37 37 ILE CB C 13 37.225 0.000 . 1 . . . . . 37 I CB . 52793 3
93 . 1 . 1 37 37 ILE CG1 C 13 29.346 0.065 . 1 . . . . . 37 I CG1 . 52793 3
94 . 1 . 1 37 37 ILE CD1 C 13 14.338 0.064 . 1 . . . . . 37 I CD1 . 52793 3
95 . 1 . 1 38 38 ILE C C 13 177.619 0.137 . 1 . . . . . 38 I C . 52793 3
96 . 1 . 1 38 38 ILE CA C 13 65.574 0.000 . 1 . . . . . 38 I CA . 52793 3
97 . 1 . 1 38 38 ILE CB C 13 38.380 0.056 . 1 . . . . . 38 I CB . 52793 3
98 . 1 . 1 38 38 ILE CG1 C 13 30.224 0.058 . 1 . . . . . 38 I CG1 . 52793 3
99 . 1 . 1 38 38 ILE CG2 C 13 17.629 0.106 . 1 . . . . . 38 I CG2 . 52793 3
100 . 1 . 1 38 38 ILE CD1 C 13 15.289 0.039 . 1 . . . . . 38 I CD1 . 52793 3
101 . 1 . 1 40 40 TYR C C 13 178.769 0.066 . 1 . . . . . 40 Y C . 52793 3
102 . 1 . 1 41 41 CYS C C 13 176.470 0.057 . 1 . . . . . 41 C C . 52793 3
103 . 1 . 1 41 41 CYS CA C 13 65.134 0.000 . 1 . . . . . 41 C CA . 52793 3
104 . 1 . 1 42 42 ALA C C 13 178.585 0.097 . 1 . . . . . 42 A C . 52793 3
105 . 1 . 1 42 42 ALA CA C 13 55.583 0.074 . 1 . . . . . 42 A CA . 52793 3
106 . 1 . 1 43 43 SER C C 13 176.183 0.076 . 1 . . . . . 43 S C . 52793 3
107 . 1 . 1 43 43 SER CA C 13 63.510 0.009 . 1 . . . . . 43 S CA . 52793 3
108 . 1 . 1 45 45 TRP C C 13 178.504 0.013 . 1 . . . . . 45 W C . 52793 3
109 . 1 . 1 45 45 TRP CA C 13 63.115 0.032 . 1 . . . . . 45 W CA . 52793 3
110 . 1 . 1 45 45 TRP CB C 13 27.952 0.000 . 1 . . . . . 45 W CB . 52793 3
111 . 1 . 1 46 46 LEU C C 13 179.213 0.000 . 1 . . . . . 46 L C . 52793 3
112 . 1 . 1 46 46 LEU CA C 13 58.462 0.034 . 1 . . . . . 46 L CA . 52793 3
113 . 1 . 1 46 46 LEU CB C 13 40.788 0.000 . 1 . . . . . 46 L CB . 52793 3
114 . 1 . 1 46 46 LEU CD2 C 13 23.920 0.100 . 2 . . . . . 46 L CD2 . 52793 3
115 . 1 . 1 47 47 LEU C C 13 178.672 0.036 . 1 . . . . . 47 L C . 52793 3
116 . 1 . 1 47 47 LEU CG C 13 26.723 0.000 . 1 . . . . . 47 L CG . 52793 3
117 . 1 . 1 47 47 LEU CD1 C 13 24.536 0.105 . 2 . . . . . 47 L CD1 . 52793 3
118 . 1 . 1 47 47 LEU CD2 C 13 23.099 0.106 . 2 . . . . . 47 L CD2 . 52793 3
119 . 1 . 1 48 48 ALA C C 13 180.209 0.000 . 1 . . . . . 48 A C . 52793 3
120 . 1 . 1 48 48 ALA CA C 13 54.742 0.013 . 1 . . . . . 48 A CA . 52793 3
121 . 1 . 1 49 49 GLN CA C 13 56.397 0.036 . 1 . . . . . 49 Q CA . 52793 3
122 . 1 . 1 50 50 THR C C 13 177.133 0.022 . 1 . . . . . 50 T C . 52793 3
123 . 1 . 1 50 50 THR CA C 13 63.841 0.069 . 1 . . . . . 50 T CA . 52793 3
124 . 1 . 1 50 50 THR CB C 13 69.705 0.018 . 1 . . . . . 50 T CB . 52793 3
125 . 1 . 1 50 50 THR CG2 C 13 23.122 0.051 . 1 . . . . . 50 T CG2 . 52793 3
126 . 1 . 1 51 51 LEU CA C 13 55.830 0.059 . 1 . . . . . 51 L CA . 52793 3
127 . 1 . 1 51 51 LEU CG C 13 26.257 0.047 . 1 . . . . . 51 L CG . 52793 3
128 . 1 . 1 51 51 LEU CD2 C 13 23.040 0.000 . 2 . . . . . 51 L CD2 . 52793 3
129 . 1 . 1 52 52 ALA C C 13 177.067 0.078 . 1 . . . . . 52 A C . 52793 3
130 . 1 . 1 52 52 ALA CA C 13 52.791 0.027 . 1 . . . . . 52 A CA . 52793 3
131 . 1 . 1 52 52 ALA CB C 13 17.792 0.157 . 1 . . . . . 52 A CB . 52793 3
132 . 1 . 1 53 53 TYR C C 13 175.786 0.141 . 1 . . . . . 53 Y C . 52793 3
133 . 1 . 1 54 54 ILE C C 13 174.251 0.060 . 1 . . . . . 54 I C . 52793 3
134 . 1 . 1 54 54 ILE CA C 13 57.736 0.062 . 1 . . . . . 54 I CA . 52793 3
135 . 1 . 1 54 54 ILE CB C 13 39.969 0.000 . 1 . . . . . 54 I CB . 52793 3
136 . 1 . 1 54 54 ILE CG1 C 13 26.718 0.041 . 1 . . . . . 54 I CG1 . 52793 3
137 . 1 . 1 54 54 ILE CG2 C 13 17.856 0.097 . 1 . . . . . 54 I CG2 . 52793 3
138 . 1 . 1 54 54 ILE CD1 C 13 13.677 0.001 . 1 . . . . . 54 I CD1 . 52793 3
139 . 1 . 1 55 55 PRO C C 13 177.848 0.070 . 1 . . . . . 55 P C . 52793 3
140 . 1 . 1 55 55 PRO CA C 13 63.028 0.000 . 1 . . . . . 55 P CA . 52793 3
141 . 1 . 1 55 55 PRO CB C 13 32.858 0.061 . 1 . . . . . 55 P CB . 52793 3
142 . 1 . 1 55 55 PRO CG C 13 27.950 0.019 . 1 . . . . . 55 P CG . 52793 3
143 . 1 . 1 56 56 THR C C 13 175.726 0.081 . 1 . . . . . 56 T C . 52793 3
144 . 1 . 1 56 56 THR CB C 13 68.745 0.081 . 1 . . . . . 56 T CB . 52793 3
145 . 1 . 1 56 56 THR CG2 C 13 22.108 0.165 . 1 . . . . . 56 T CG2 . 52793 3
146 . 1 . 1 58 58 ILE C C 13 176.667 0.056 . 1 . . . . . 58 I C . 52793 3
147 . 1 . 1 58 58 ILE CA C 13 63.087 0.142 . 1 . . . . . 58 I CA . 52793 3
148 . 1 . 1 58 58 ILE CB C 13 38.123 0.032 . 1 . . . . . 58 I CB . 52793 3
149 . 1 . 1 58 58 ILE CG1 C 13 29.121 0.054 . 1 . . . . . 58 I CG1 . 52793 3
150 . 1 . 1 58 58 ILE CG2 C 13 17.809 0.059 . 1 . . . . . 58 I CG2 . 52793 3
151 . 1 . 1 61 61 ALA C C 13 179.943 0.110 . 1 . . . . . 61 A C . 52793 3
152 . 1 . 1 61 61 ALA CA C 13 55.672 0.075 . 1 . . . . . 61 A CA . 52793 3
153 . 1 . 1 61 61 ALA CB C 13 18.347 0.069 . 1 . . . . . 61 A CB . 52793 3
154 . 1 . 1 62 62 ILE C C 13 176.761 0.063 . 1 . . . . . 62 I C . 52793 3
155 . 1 . 1 62 62 ILE CA C 13 64.577 0.016 . 1 . . . . . 62 I CA . 52793 3
156 . 1 . 1 62 62 ILE CB C 13 38.338 0.081 . 1 . . . . . 62 I CB . 52793 3
157 . 1 . 1 62 62 ILE CG2 C 13 18.047 0.076 . 1 . . . . . 62 I CG2 . 52793 3
158 . 1 . 1 62 62 ILE CD1 C 13 14.729 0.022 . 1 . . . . . 62 I CD1 . 52793 3
159 . 1 . 1 63 63 TRP CB C 13 28.692 0.083 . 1 . . . . . 63 W CB . 52793 3
160 . 1 . 1 65 65 GLY C C 13 176.633 0.000 . 1 . . . . . 65 G C . 52793 3
161 . 1 . 1 66 66 VAL C C 13 178.091 0.054 . 1 . . . . . 66 V C . 52793 3
162 . 1 . 1 66 66 VAL CA C 13 66.199 0.099 . 1 . . . . . 66 V CA . 52793 3
163 . 1 . 1 66 66 VAL CB C 13 30.754 0.036 . 1 . . . . . 66 V CB . 52793 3
164 . 1 . 1 67 67 GLY C C 13 174.635 0.083 . 1 . . . . . 67 G C . 52793 3
165 . 1 . 1 68 68 ILE C C 13 179.101 0.125 . 1 . . . . . 68 I C . 52793 3
166 . 1 . 1 68 68 ILE CA C 13 66.188 0.116 . 1 . . . . . 68 I CA . 52793 3
167 . 1 . 1 68 68 ILE CB C 13 38.023 0.061 . 1 . . . . . 68 I CB . 52793 3
168 . 1 . 1 68 68 ILE CG1 C 13 29.329 0.063 . 1 . . . . . 68 I CG1 . 52793 3
169 . 1 . 1 68 68 ILE CG2 C 13 17.904 0.087 . 1 . . . . . 68 I CG2 . 52793 3
170 . 1 . 1 68 68 ILE CD1 C 13 14.487 0.147 . 1 . . . . . 68 I CD1 . 52793 3
171 . 1 . 1 69 69 VAL CA C 13 67.238 0.000 . 1 . . . . . 69 V CA . 52793 3
172 . 1 . 1 69 69 VAL CG1 C 13 21.638 0.061 . 2 . . . . . 69 V CG1 . 52793 3
173 . 1 . 1 69 69 VAL CG2 C 13 23.129 0.021 . 2 . . . . . 69 V CG2 . 52793 3
174 . 1 . 1 70 70 LEU C C 13 179.048 0.009 . 1 . . . . . 70 L C . 52793 3
175 . 1 . 1 70 70 LEU CA C 13 58.369 0.109 . 1 . . . . . 70 L CA . 52793 3
176 . 1 . 1 70 70 LEU CB C 13 42.084 0.096 . 1 . . . . . 70 L CB . 52793 3
177 . 1 . 1 70 70 LEU CD1 C 13 25.349 0.071 . 2 . . . . . 70 L CD1 . 52793 3
178 . 1 . 1 70 70 LEU CD2 C 13 23.047 0.063 . 2 . . . . . 70 L CD2 . 52793 3
179 . 1 . 1 71 71 ILE CG1 C 13 28.670 0.077 . 1 . . . . . 71 I CG1 . 52793 3
180 . 1 . 1 71 71 ILE CG2 C 13 17.176 0.036 . 1 . . . . . 71 I CG2 . 52793 3
181 . 1 . 1 71 71 ILE CD1 C 13 14.387 0.017 . 1 . . . . . 71 I CD1 . 52793 3
182 . 1 . 1 73 73 LEU C C 13 178.136 0.154 . 1 . . . . . 73 L C . 52793 3
183 . 1 . 1 73 73 LEU CA C 13 58.468 0.027 . 1 . . . . . 73 L CA . 52793 3
184 . 1 . 1 73 73 LEU CG C 13 26.648 0.036 . 1 . . . . . 73 L CG . 52793 3
185 . 1 . 1 73 73 LEU CD1 C 13 25.680 0.000 . 2 . . . . . 73 L CD1 . 52793 3
186 . 1 . 1 73 73 LEU CD2 C 13 23.761 0.060 . 2 . . . . . 73 L CD2 . 52793 3
187 . 1 . 1 75 75 SER C C 13 177.056 0.082 . 1 . . . . . 75 S C . 52793 3
188 . 1 . 1 75 75 SER CA C 13 62.538 0.067 . 1 . . . . . 75 S CA . 52793 3
189 . 1 . 1 75 75 SER CB C 13 60.046 0.037 . 1 . . . . . 75 S CB . 52793 3
190 . 1 . 1 76 76 TRP C C 13 179.670 0.000 . 1 . . . . . 76 W C . 52793 3
191 . 1 . 1 76 76 TRP CA C 13 58.505 0.087 . 1 . . . . . 76 W CA . 52793 3
192 . 1 . 1 78 78 PHE C C 13 176.798 0.099 . 1 . . . . . 78 F C . 52793 3
193 . 1 . 1 78 78 PHE CA C 13 58.219 0.000 . 1 . . . . . 78 F CA . 52793 3
194 . 1 . 1 78 78 PHE CB C 13 39.453 0.064 . 1 . . . . . 78 F CB . 52793 3
195 . 1 . 1 79 79 PHE C C 13 176.535 0.002 . 1 . . . . . 79 F C . 52793 3
196 . 1 . 1 79 79 PHE CA C 13 56.346 0.000 . 1 . . . . . 79 F CA . 52793 3
197 . 1 . 1 81 81 GLN C C 13 173.508 0.000 . 1 . . . . . 81 Q C . 52793 3
198 . 1 . 1 81 81 GLN CA C 13 54.072 0.030 . 1 . . . . . 81 Q CA . 52793 3
199 . 1 . 1 82 82 ARG CA C 13 55.775 0.093 . 1 . . . . . 82 R CA . 52793 3
200 . 1 . 1 82 82 ARG CB C 13 31.221 0.042 . 1 . . . . . 82 R CB . 52793 3
201 . 1 . 1 83 83 LEU CG C 13 27.391 0.042 . 1 . . . . . 83 L CG . 52793 3
202 . 1 . 1 83 83 LEU CD1 C 13 26.212 0.091 . 2 . . . . . 83 L CD1 . 52793 3
203 . 1 . 1 84 84 ASP C C 13 175.013 0.084 . 1 . . . . . 84 D C . 52793 3
204 . 1 . 1 84 84 ASP CA C 13 50.985 0.038 . 1 . . . . . 84 D CA . 52793 3
205 . 1 . 1 84 84 ASP CB C 13 41.390 0.062 . 1 . . . . . 84 D CB . 52793 3
206 . 1 . 1 84 84 ASP CG C 13 180.573 0.107 . 1 . . . . . 84 D CG . 52793 3
207 . 1 . 1 85 85 LEU C C 13 175.892 0.000 . 1 . . . . . 85 L C . 52793 3
208 . 1 . 1 85 85 LEU CA C 13 59.617 0.036 . 1 . . . . . 85 L CA . 52793 3
209 . 1 . 1 85 85 LEU CG C 13 27.509 0.053 . 1 . . . . . 85 L CG . 52793 3
210 . 1 . 1 85 85 LEU CD1 C 13 25.525 0.041 . 2 . . . . . 85 L CD1 . 52793 3
211 . 1 . 1 85 85 LEU CD2 C 13 24.194 0.063 . 2 . . . . . 85 L CD2 . 52793 3
212 . 1 . 1 86 86 PRO C C 13 177.867 0.021 . 1 . . . . . 86 P C . 52793 3
213 . 1 . 1 86 86 PRO CA C 13 66.260 0.084 . 1 . . . . . 86 P CA . 52793 3
214 . 1 . 1 86 86 PRO CB C 13 31.456 0.025 . 1 . . . . . 86 P CB . 52793 3
215 . 1 . 1 87 87 ALA CA C 13 55.709 0.053 . 1 . . . . . 87 A CA . 52793 3
216 . 1 . 1 87 87 ALA CB C 13 17.455 0.162 . 1 . . . . . 87 A CB . 52793 3
217 . 1 . 1 88 88 ILE CA C 13 65.102 0.000 . 1 . . . . . 88 I CA . 52793 3
218 . 1 . 1 88 88 ILE CB C 13 38.278 0.000 . 1 . . . . . 88 I CB . 52793 3
219 . 1 . 1 88 88 ILE CG2 C 13 17.670 0.000 . 1 . . . . . 88 I CG2 . 52793 3
220 . 1 . 1 89 89 ILE C C 13 178.542 0.187 . 1 . . . . . 89 I C . 52793 3
221 . 1 . 1 89 89 ILE CA C 13 65.461 0.000 . 1 . . . . . 89 I CA . 52793 3
222 . 1 . 1 89 89 ILE CB C 13 37.097 0.063 . 1 . . . . . 89 I CB . 52793 3
223 . 1 . 1 89 89 ILE CG1 C 13 29.076 0.116 . 1 . . . . . 89 I CG1 . 52793 3
224 . 1 . 1 89 89 ILE CG2 C 13 17.251 0.091 . 1 . . . . . 89 I CG2 . 52793 3
225 . 1 . 1 89 89 ILE CD1 C 13 13.120 0.062 . 1 . . . . . 89 I CD1 . 52793 3
226 . 1 . 1 90 90 GLY C C 13 175.486 0.113 . 1 . . . . . 90 G C . 52793 3
227 . 1 . 1 91 91 MET C C 13 178.602 0.056 . 1 . . . . . 91 M C . 52793 3
228 . 1 . 1 91 91 MET CB C 13 32.782 0.083 . 1 . . . . . 91 M CB . 52793 3
229 . 1 . 1 91 91 MET CG C 13 33.924 0.060 . 1 . . . . . 91 M CG . 52793 3
230 . 1 . 1 91 91 MET CE C 13 16.480 0.036 . 1 . . . . . 91 M CE . 52793 3
231 . 1 . 1 92 92 MET C C 13 178.009 0.095 . 1 . . . . . 92 M C . 52793 3
232 . 1 . 1 92 92 MET CA C 13 60.087 0.035 . 1 . . . . . 92 M CA . 52793 3
233 . 1 . 1 92 92 MET CB C 13 30.840 0.000 . 1 . . . . . 92 M CB . 52793 3
234 . 1 . 1 92 92 MET CG C 13 31.280 0.062 . 1 . . . . . 92 M CG . 52793 3
235 . 1 . 1 92 92 MET CE C 13 16.502 0.035 . 1 . . . . . 92 M CE . 52793 3
236 . 1 . 1 93 93 LEU C C 13 178.766 0.027 . 1 . . . . . 93 L C . 52793 3
237 . 1 . 1 93 93 LEU CA C 13 58.097 0.056 . 1 . . . . . 93 L CA . 52793 3
238 . 1 . 1 93 93 LEU CG C 13 26.501 0.011 . 1 . . . . . 93 L CG . 52793 3
239 . 1 . 1 93 93 LEU CD1 C 13 25.363 0.043 . 2 . . . . . 93 L CD1 . 52793 3
240 . 1 . 1 93 93 LEU CD2 C 13 22.749 0.068 . 2 . . . . . 93 L CD2 . 52793 3
241 . 1 . 1 94 94 ILE C C 13 177.807 0.056 . 1 . . . . . 94 I C . 52793 3
242 . 1 . 1 94 94 ILE CA C 13 65.578 0.101 . 1 . . . . . 94 I CA . 52793 3
243 . 1 . 1 94 94 ILE CG1 C 13 28.900 0.121 . 1 . . . . . 94 I CG1 . 52793 3
244 . 1 . 1 94 94 ILE CG2 C 13 17.092 0.069 . 1 . . . . . 94 I CG2 . 52793 3
245 . 1 . 1 94 94 ILE CD1 C 13 13.395 0.103 . 1 . . . . . 94 I CD1 . 52793 3
246 . 1 . 1 95 95 CYS C C 13 176.505 0.000 . 1 . . . . . 95 C C . 52793 3
247 . 1 . 1 95 95 CYS CA C 13 64.900 0.096 . 1 . . . . . 95 C CA . 52793 3
248 . 1 . 1 96 96 ALA CA C 13 55.761 0.088 . 1 . . . . . 96 A CA . 52793 3
249 . 1 . 1 96 96 ALA CB C 13 18.506 0.071 . 1 . . . . . 96 A CB . 52793 3
250 . 1 . 1 97 97 GLY C C 13 175.164 0.000 . 1 . . . . . 97 G C . 52793 3
251 . 1 . 1 98 98 VAL C C 13 178.088 0.043 . 1 . . . . . 98 V C . 52793 3
252 . 1 . 1 98 98 VAL CB C 13 32.022 0.000 . 1 . . . . . 98 V CB . 52793 3
253 . 1 . 1 98 98 VAL CG1 C 13 21.679 0.047 . 2 . . . . . 98 V CG1 . 52793 3
254 . 1 . 1 98 98 VAL CG2 C 13 23.063 0.065 . 2 . . . . . 98 V CG2 . 52793 3
255 . 1 . 1 99 99 LEU C C 13 178.001 0.093 . 1 . . . . . 99 L C . 52793 3
256 . 1 . 1 99 99 LEU CA C 13 58.472 0.056 . 1 . . . . . 99 L CA . 52793 3
257 . 1 . 1 99 99 LEU CG C 13 26.959 0.011 . 1 . . . . . 99 L CG . 52793 3
258 . 1 . 1 99 99 LEU CD1 C 13 23.922 0.000 . 2 . . . . . 99 L CD1 . 52793 3
259 . 1 . 1 99 99 LEU CD2 C 13 23.795 0.042 . 2 . . . . . 99 L CD2 . 52793 3
260 . 1 . 1 100 100 ILE C C 13 177.618 0.094 . 1 . . . . . 100 I C . 52793 3
261 . 1 . 1 100 100 ILE CA C 13 66.033 0.086 . 1 . . . . . 100 I CA . 52793 3
262 . 1 . 1 100 100 ILE CG1 C 13 29.286 0.105 . 1 . . . . . 100 I CG1 . 52793 3
263 . 1 . 1 101 101 ILE C C 13 177.015 0.071 . 1 . . . . . 101 I C . 52793 3
264 . 1 . 1 101 101 ILE CA C 13 65.702 0.097 . 1 . . . . . 101 I CA . 52793 3
265 . 1 . 1 101 101 ILE CB C 13 38.283 0.070 . 1 . . . . . 101 I CB . 52793 3
266 . 1 . 1 101 101 ILE CG1 C 13 27.026 0.017 . 1 . . . . . 101 I CG1 . 52793 3
267 . 1 . 1 101 101 ILE CG2 C 13 18.291 0.082 . 1 . . . . . 101 I CG2 . 52793 3
268 . 1 . 1 102 102 ASN C C 13 176.647 0.082 . 1 . . . . . 102 N C . 52793 3
269 . 1 . 1 102 102 ASN CA C 13 57.114 0.000 . 1 . . . . . 102 N CA . 52793 3
270 . 1 . 1 102 102 ASN CB C 13 39.748 0.018 . 1 . . . . . 102 N CB . 52793 3
271 . 1 . 1 102 102 ASN CG C 13 176.085 0.013 . 1 . . . . . 102 N CG . 52793 3
272 . 1 . 1 103 103 LEU C C 13 178.313 0.000 . 1 . . . . . 103 L C . 52793 3
273 . 1 . 1 103 103 LEU CD1 C 13 25.169 0.000 . 2 . . . . . 103 L CD1 . 52793 3
274 . 1 . 1 103 103 LEU CD2 C 13 24.407 0.038 . 2 . . . . . 103 L CD2 . 52793 3
275 . 1 . 1 104 104 LEU C C 13 176.550 0.044 . 1 . . . . . 104 L C . 52793 3
276 . 1 . 1 104 104 LEU CA C 13 54.551 0.000 . 1 . . . . . 104 L CA . 52793 3
277 . 1 . 1 104 104 LEU CG C 13 26.665 0.000 . 1 . . . . . 104 L CG . 52793 3
278 . 1 . 1 104 104 LEU CD1 C 13 26.879 0.045 . 2 . . . . . 104 L CD1 . 52793 3
279 . 1 . 1 105 105 SER C C 13 175.276 0.082 . 1 . . . . . 105 S C . 52793 3
280 . 1 . 1 105 105 SER CA C 13 58.596 0.140 . 1 . . . . . 105 S CA . 52793 3
281 . 1 . 1 105 105 SER CB C 13 64.660 0.038 . 1 . . . . . 105 S CB . 52793 3
282 . 1 . 1 106 106 ARG C C 13 176.775 0.102 . 1 . . . . . 106 R C . 52793 3
283 . 1 . 1 106 106 ARG CA C 13 56.387 0.000 . 1 . . . . . 106 R CA . 52793 3
284 . 1 . 1 106 106 ARG CB C 13 30.678 0.124 . 1 . . . . . 106 R CB . 52793 3
285 . 1 . 1 106 106 ARG CG C 13 27.288 0.029 . 1 . . . . . 106 R CG . 52793 3
286 . 1 . 1 107 107 SER C C 13 174.235 0.066 . 1 . . . . . 107 S C . 52793 3
287 . 1 . 1 107 107 SER CA C 13 58.284 0.058 . 1 . . . . . 107 S CA . 52793 3
288 . 1 . 1 109 109 PRO C C 13 176.086 0.012 . 1 . . . . . 109 P C . 52793 3
289 . 1 . 1 109 109 PRO CA C 13 64.437 0.137 . 1 . . . . . 109 P CA . 52793 3
290 . 1 . 1 109 109 PRO CB C 13 30.453 0.118 . 1 . . . . . 109 P CB . 52793 3
291 . 1 . 1 109 109 PRO CG C 13 27.422 0.000 . 1 . . . . . 109 P CG . 52793 3
292 . 1 . 1 109 109 PRO CD C 13 50.856 0.000 . 1 . . . . . 109 P CD . 52793 3
293 . 2 . 1 1 1 MET CA C 13 54.074 0.000 . 1 . . . . . 1 M CA . 52793 3
294 . 2 . 1 2 2 ASN C C 13 175.446 0.106 . 1 . . . . . 2 N C . 52793 3
295 . 2 . 1 2 2 ASN CB C 13 38.839 0.144 . 1 . . . . . 2 N CB . 52793 3
296 . 2 . 1 3 3 PRO CA C 13 64.554 0.078 . 1 . . . . . 3 P CA . 52793 3
297 . 2 . 1 3 3 PRO CB C 13 31.967 0.100 . 1 . . . . . 3 P CB . 52793 3
298 . 2 . 1 3 3 PRO CG C 13 27.431 0.068 . 1 . . . . . 3 P CG . 52793 3
299 . 2 . 1 4 4 TYR CB C 13 37.293 0.000 . 1 . . . . . 4 Y CB . 52793 3
300 . 2 . 1 5 5 ILE C C 13 178.187 0.079 . 1 . . . . . 5 I C . 52793 3
301 . 2 . 1 5 5 ILE CA C 13 64.826 0.111 . 1 . . . . . 5 I CA . 52793 3
302 . 2 . 1 5 5 ILE CB C 13 35.578 0.000 . 1 . . . . . 5 I CB . 52793 3
303 . 2 . 1 5 5 ILE CG1 C 13 28.859 0.087 . 1 . . . . . 5 I CG1 . 52793 3
304 . 2 . 1 5 5 ILE CG2 C 13 17.311 0.164 . 1 . . . . . 5 I CG2 . 52793 3
305 . 2 . 1 5 5 ILE CD1 C 13 13.061 0.021 . 1 . . . . . 5 I CD1 . 52793 3
306 . 2 . 1 6 6 TYR C C 13 178.036 0.084 . 1 . . . . . 6 Y C . 52793 3
307 . 2 . 1 6 6 TYR CB C 13 36.964 0.058 . 1 . . . . . 6 Y CB . 52793 3
308 . 2 . 1 7 7 LEU C C 13 178.797 0.000 . 1 . . . . . 7 L C . 52793 3
309 . 2 . 1 7 7 LEU CA C 13 57.693 0.088 . 1 . . . . . 7 L CA . 52793 3
310 . 2 . 1 7 7 LEU CB C 13 41.319 0.064 . 1 . . . . . 7 L CB . 52793 3
311 . 2 . 1 9 9 GLY C C 13 174.208 0.054 . 1 . . . . . 9 G C . 52793 3
312 . 2 . 1 10 10 ALA C C 13 182.105 0.036 . 1 . . . . . 10 A C . 52793 3
313 . 2 . 1 10 10 ALA CA C 13 55.800 0.000 . 1 . . . . . 10 A CA . 52793 3
314 . 2 . 1 10 10 ALA CB C 13 18.840 0.013 . 1 . . . . . 10 A CB . 52793 3
315 . 2 . 1 11 11 ILE C C 13 177.081 0.017 . 1 . . . . . 11 I C . 52793 3
316 . 2 . 1 11 11 ILE CA C 13 64.669 0.060 . 1 . . . . . 11 I CA . 52793 3
317 . 2 . 1 11 11 ILE CB C 13 38.436 0.054 . 1 . . . . . 11 I CB . 52793 3
318 . 2 . 1 11 11 ILE CG1 C 13 27.093 0.062 . 1 . . . . . 11 I CG1 . 52793 3
319 . 2 . 1 11 11 ILE CG2 C 13 17.822 0.077 . 1 . . . . . 11 I CG2 . 52793 3
320 . 2 . 1 11 11 ILE CD1 C 13 13.974 0.006 . 1 . . . . . 11 I CD1 . 52793 3
321 . 2 . 1 13 13 ALA CB C 13 17.227 0.049 . 1 . . . . . 13 A CB . 52793 3
322 . 2 . 1 14 14 GLU CA C 13 58.444 0.030 . 1 . . . . . 14 E CA . 52793 3
323 . 2 . 1 15 15 VAL C C 13 179.261 0.082 . 1 . . . . . 15 V C . 52793 3
324 . 2 . 1 15 15 VAL CA C 13 66.136 0.031 . 1 . . . . . 15 V CA . 52793 3
325 . 2 . 1 15 15 VAL CB C 13 31.766 0.068 . 1 . . . . . 15 V CB . 52793 3
326 . 2 . 1 15 15 VAL CG1 C 13 22.206 0.033 . 2 . . . . . 15 V CG1 . 52793 3
327 . 2 . 1 15 15 VAL CG2 C 13 21.524 0.070 . 2 . . . . . 15 V CG2 . 52793 3
328 . 2 . 1 16 16 ILE C C 13 179.371 0.100 . 1 . . . . . 16 I C . 52793 3
329 . 2 . 1 16 16 ILE CA C 13 66.490 0.141 . 1 . . . . . 16 I CA . 52793 3
330 . 2 . 1 16 16 ILE CB C 13 37.967 0.000 . 1 . . . . . 16 I CB . 52793 3
331 . 2 . 1 16 16 ILE CG1 C 13 29.642 0.113 . 1 . . . . . 16 I CG1 . 52793 3
332 . 2 . 1 16 16 ILE CG2 C 13 17.670 0.071 . 1 . . . . . 16 I CG2 . 52793 3
333 . 2 . 1 16 16 ILE CD1 C 13 13.243 0.129 . 1 . . . . . 16 I CD1 . 52793 3
334 . 2 . 1 17 17 GLY C C 13 174.306 0.068 . 1 . . . . . 17 G C . 52793 3
335 . 2 . 1 18 18 THR CA C 13 66.029 0.100 . 1 . . . . . 18 T CA . 52793 3
336 . 2 . 1 18 18 THR CB C 13 68.678 0.033 . 1 . . . . . 18 T CB . 52793 3
337 . 2 . 1 18 18 THR CG2 C 13 21.621 0.000 . 1 . . . . . 18 T CG2 . 52793 3
338 . 2 . 1 19 19 THR C C 13 176.024 0.106 . 1 . . . . . 19 T C . 52793 3
339 . 2 . 1 19 19 THR CA C 13 67.646 0.052 . 1 . . . . . 19 T CA . 52793 3
340 . 2 . 1 19 19 THR CB C 13 68.602 0.106 . 1 . . . . . 19 T CB . 52793 3
341 . 2 . 1 19 19 THR CG2 C 13 21.809 0.037 . 1 . . . . . 19 T CG2 . 52793 3
342 . 2 . 1 20 20 LEU C C 13 178.338 0.128 . 1 . . . . . 20 L C . 52793 3
343 . 2 . 1 20 20 LEU CA C 13 57.716 0.044 . 1 . . . . . 20 L CA . 52793 3
344 . 2 . 1 20 20 LEU CB C 13 41.174 0.000 . 1 . . . . . 20 L CB . 52793 3
345 . 2 . 1 20 20 LEU CG C 13 26.778 0.087 . 1 . . . . . 20 L CG . 52793 3
346 . 2 . 1 20 20 LEU CD1 C 13 23.760 0.066 . 2 . . . . . 20 L CD1 . 52793 3
347 . 2 . 1 21 21 MET CG C 13 32.484 0.000 . 1 . . . . . 21 M CG . 52793 3
348 . 2 . 1 22 22 LYS CA C 13 59.497 0.000 . 1 . . . . . 22 K CA . 52793 3
349 . 2 . 1 22 22 LYS CB C 13 30.503 0.000 . 1 . . . . . 22 K CB . 52793 3
350 . 2 . 1 24 24 SER C C 13 173.353 0.094 . 1 . . . . . 24 S C . 52793 3
351 . 2 . 1 24 24 SER CB C 13 63.788 0.125 . 1 . . . . . 24 S CB . 52793 3
352 . 2 . 1 25 25 GLU C C 13 178.097 0.102 . 1 . . . . . 25 E C . 52793 3
353 . 2 . 1 25 25 GLU CA C 13 55.952 0.027 . 1 . . . . . 25 E CA . 52793 3
354 . 2 . 1 25 25 GLU CB C 13 26.760 0.079 . 1 . . . . . 25 E CB . 52793 3
355 . 2 . 1 25 25 GLU CG C 13 35.947 0.161 . 1 . . . . . 25 E CG . 52793 3
356 . 2 . 1 27 27 PHE CB C 13 36.867 0.076 . 1 . . . . . 27 F CB . 52793 3
357 . 2 . 1 28 28 THR C C 13 174.917 0.112 . 1 . . . . . 28 T C . 52793 3
358 . 2 . 1 28 28 THR CA C 13 61.945 0.060 . 1 . . . . . 28 T CA . 52793 3
359 . 2 . 1 28 28 THR CB C 13 70.713 0.045 . 1 . . . . . 28 T CB . 52793 3
360 . 2 . 1 28 28 THR CG2 C 13 21.474 0.091 . 1 . . . . . 28 T CG2 . 52793 3
361 . 2 . 1 29 29 ARG C C 13 178.037 0.061 . 1 . . . . . 29 R C . 52793 3
362 . 2 . 1 29 29 ARG CA C 13 54.078 0.082 . 1 . . . . . 29 R CA . 52793 3
363 . 2 . 1 29 29 ARG CB C 13 31.008 0.148 . 1 . . . . . 29 R CB . 52793 3
364 . 2 . 1 29 29 ARG CG C 13 27.153 0.142 . 1 . . . . . 29 R CG . 52793 3
365 . 2 . 1 30 30 LEU C C 13 177.814 0.097 . 1 . . . . . 30 L C . 52793 3
366 . 2 . 1 30 30 LEU CA C 13 60.148 0.045 . 1 . . . . . 30 L CA . 52793 3
367 . 2 . 1 30 30 LEU CG C 13 26.669 0.006 . 1 . . . . . 30 L CG . 52793 3
368 . 2 . 1 30 30 LEU CD2 C 13 22.879 0.099 . 2 . . . . . 30 L CD2 . 52793 3
369 . 2 . 1 31 31 TRP CA C 13 61.866 0.044 . 1 . . . . . 31 W CA . 52793 3
370 . 2 . 1 31 31 TRP CB C 13 26.624 0.027 . 1 . . . . . 31 W CB . 52793 3
371 . 2 . 1 32 32 PRO CA C 13 65.971 0.000 . 1 . . . . . 32 P CA . 52793 3
372 . 2 . 1 33 33 SER C C 13 174.734 0.067 . 1 . . . . . 33 S C . 52793 3
373 . 2 . 1 33 33 SER CB C 13 62.600 0.028 . 1 . . . . . 33 S CB . 52793 3
374 . 2 . 1 36 36 THR C C 13 176.086 0.018 . 1 . . . . . 36 T C . 52793 3
375 . 2 . 1 37 37 ILE C C 13 178.432 0.113 . 1 . . . . . 37 I C . 52793 3
376 . 2 . 1 37 37 ILE CA C 13 64.916 0.112 . 1 . . . . . 37 I CA . 52793 3
377 . 2 . 1 37 37 ILE CB C 13 36.794 0.065 . 1 . . . . . 37 I CB . 52793 3
378 . 2 . 1 37 37 ILE CG2 C 13 17.540 0.012 . 1 . . . . . 37 I CG2 . 52793 3
379 . 2 . 1 38 38 ILE C C 13 177.625 0.085 . 1 . . . . . 38 I C . 52793 3
380 . 2 . 1 38 38 ILE CA C 13 65.715 0.084 . 1 . . . . . 38 I CA . 52793 3
381 . 2 . 1 38 38 ILE CB C 13 38.236 0.091 . 1 . . . . . 38 I CB . 52793 3
382 . 2 . 1 38 38 ILE CG1 C 13 30.713 0.120 . 1 . . . . . 38 I CG1 . 52793 3
383 . 2 . 1 38 38 ILE CG2 C 13 16.468 0.016 . 1 . . . . . 38 I CG2 . 52793 3
384 . 2 . 1 38 38 ILE CD1 C 13 14.508 0.143 . 1 . . . . . 38 I CD1 . 52793 3
385 . 2 . 1 40 40 TYR C C 13 178.658 0.081 . 1 . . . . . 40 Y C . 52793 3
386 . 2 . 1 41 41 CYS C C 13 176.582 0.005 . 1 . . . . . 41 C C . 52793 3
387 . 2 . 1 41 41 CYS CA C 13 63.348 0.000 . 1 . . . . . 41 C CA . 52793 3
388 . 2 . 1 41 41 CYS CB C 13 26.480 0.000 . 1 . . . . . 41 C CB . 52793 3
389 . 2 . 1 42 42 ALA C C 13 178.305 0.037 . 1 . . . . . 42 A C . 52793 3
390 . 2 . 1 42 42 ALA CA C 13 55.342 0.000 . 1 . . . . . 42 A CA . 52793 3
391 . 2 . 1 42 42 ALA CB C 13 17.720 0.079 . 1 . . . . . 42 A CB . 52793 3
392 . 2 . 1 43 43 SER C C 13 177.112 0.063 . 1 . . . . . 43 S C . 52793 3
393 . 2 . 1 43 43 SER CA C 13 63.687 0.000 . 1 . . . . . 43 S CA . 52793 3
394 . 2 . 1 43 43 SER CB C 13 64.742 0.035 . 1 . . . . . 43 S CB . 52793 3
395 . 2 . 1 44 44 PHE CA C 13 59.644 0.000 . 1 . . . . . 44 F CA . 52793 3
396 . 2 . 1 44 44 PHE CB C 13 38.746 0.000 . 1 . . . . . 44 F CB . 52793 3
397 . 2 . 1 45 45 TRP CB C 13 28.411 0.000 . 1 . . . . . 45 W CB . 52793 3
398 . 2 . 1 47 47 LEU C C 13 180.299 0.000 . 1 . . . . . 47 L C . 52793 3
399 . 2 . 1 47 47 LEU CA C 13 57.422 0.074 . 1 . . . . . 47 L CA . 52793 3
400 . 2 . 1 47 47 LEU CD2 C 13 23.160 0.022 . 2 . . . . . 47 L CD2 . 52793 3
401 . 2 . 1 48 48 ALA CA C 13 55.367 0.000 . 1 . . . . . 48 A CA . 52793 3
402 . 2 . 1 48 48 ALA CB C 13 18.832 0.000 . 1 . . . . . 48 A CB . 52793 3
403 . 2 . 1 49 49 GLN C C 13 177.438 0.098 . 1 . . . . . 49 Q C . 52793 3
404 . 2 . 1 49 49 GLN CB C 13 26.570 0.051 . 1 . . . . . 49 Q CB . 52793 3
405 . 2 . 1 49 49 GLN CD C 13 180.082 0.061 . 1 . . . . . 49 Q CD . 52793 3
406 . 2 . 1 50 50 THR C C 13 177.400 0.021 . 1 . . . . . 50 T C . 52793 3
407 . 2 . 1 50 50 THR CA C 13 63.870 0.040 . 1 . . . . . 50 T CA . 52793 3
408 . 2 . 1 50 50 THR CB C 13 69.703 0.034 . 1 . . . . . 50 T CB . 52793 3
409 . 2 . 1 50 50 THR CG2 C 13 23.108 0.032 . 1 . . . . . 50 T CG2 . 52793 3
410 . 2 . 1 51 51 LEU C C 13 176.854 0.069 . 1 . . . . . 51 L C . 52793 3
411 . 2 . 1 51 51 LEU CA C 13 55.808 0.063 . 1 . . . . . 51 L CA . 52793 3
412 . 2 . 1 51 51 LEU CG C 13 26.344 0.037 . 1 . . . . . 51 L CG . 52793 3
413 . 2 . 1 51 51 LEU CD2 C 13 24.330 0.000 . 2 . . . . . 51 L CD2 . 52793 3
414 . 2 . 1 52 52 ALA C C 13 177.295 0.000 . 1 . . . . . 52 A C . 52793 3
415 . 2 . 1 52 52 ALA CA C 13 52.856 0.000 . 1 . . . . . 52 A CA . 52793 3
416 . 2 . 1 52 52 ALA CB C 13 18.253 0.082 . 1 . . . . . 52 A CB . 52793 3
417 . 2 . 1 53 53 TYR C C 13 175.318 0.109 . 1 . . . . . 53 Y C . 52793 3
418 . 2 . 1 53 53 TYR CA C 13 57.758 0.000 . 1 . . . . . 53 Y CA . 52793 3
419 . 2 . 1 54 54 ILE C C 13 173.277 0.029 . 1 . . . . . 54 I C . 52793 3
420 . 2 . 1 54 54 ILE CA C 13 57.775 0.032 . 1 . . . . . 54 I CA . 52793 3
421 . 2 . 1 54 54 ILE CG1 C 13 26.664 0.049 . 1 . . . . . 54 I CG1 . 52793 3
422 . 2 . 1 54 54 ILE CG2 C 13 16.124 0.094 . 1 . . . . . 54 I CG2 . 52793 3
423 . 2 . 1 54 54 ILE CD1 C 13 13.094 0.045 . 1 . . . . . 54 I CD1 . 52793 3
424 . 2 . 1 55 55 PRO C C 13 176.763 0.092 . 1 . . . . . 55 P C . 52793 3
425 . 2 . 1 55 55 PRO CA C 13 63.245 0.090 . 1 . . . . . 55 P CA . 52793 3
426 . 2 . 1 55 55 PRO CB C 13 32.802 0.066 . 1 . . . . . 55 P CB . 52793 3
427 . 2 . 1 55 55 PRO CG C 13 28.857 0.161 . 1 . . . . . 55 P CG . 52793 3
428 . 2 . 1 56 56 THR C C 13 175.831 0.059 . 1 . . . . . 56 T C . 52793 3
429 . 2 . 1 56 56 THR CB C 13 68.719 0.042 . 1 . . . . . 56 T CB . 52793 3
430 . 2 . 1 57 57 GLY C C 13 175.253 0.039 . 1 . . . . . 57 G C . 52793 3
431 . 2 . 1 58 58 ILE CA C 13 63.702 0.000 . 1 . . . . . 58 I CA . 52793 3
432 . 2 . 1 58 58 ILE CG2 C 13 17.794 0.002 . 1 . . . . . 58 I CG2 . 52793 3
433 . 2 . 1 61 61 ALA C C 13 179.818 0.059 . 1 . . . . . 61 A C . 52793 3
434 . 2 . 1 61 61 ALA CA C 13 55.870 0.072 . 1 . . . . . 61 A CA . 52793 3
435 . 2 . 1 61 61 ALA CB C 13 17.709 0.038 . 1 . . . . . 61 A CB . 52793 3
436 . 2 . 1 62 62 ILE C C 13 176.789 0.020 . 1 . . . . . 62 I C . 52793 3
437 . 2 . 1 62 62 ILE CA C 13 66.475 0.053 . 1 . . . . . 62 I CA . 52793 3
438 . 2 . 1 62 62 ILE CG1 C 13 30.464 0.054 . 1 . . . . . 62 I CG1 . 52793 3
439 . 2 . 1 62 62 ILE CG2 C 13 17.897 0.034 . 1 . . . . . 62 I CG2 . 52793 3
440 . 2 . 1 63 63 TRP CB C 13 28.706 0.000 . 1 . . . . . 63 W CB . 52793 3
441 . 2 . 1 69 69 VAL CG1 C 13 22.059 0.000 . 2 . . . . . 69 V CG1 . 52793 3
442 . 2 . 1 70 70 LEU CA C 13 58.393 0.078 . 1 . . . . . 70 L CA . 52793 3
443 . 2 . 1 70 70 LEU CB C 13 42.366 0.000 . 1 . . . . . 70 L CB . 52793 3
444 . 2 . 1 70 70 LEU CD1 C 13 24.351 0.045 . 2 . . . . . 70 L CD1 . 52793 3
445 . 2 . 1 71 71 ILE C C 13 178.901 0.084 . 1 . . . . . 71 I C . 52793 3
446 . 2 . 1 71 71 ILE CA C 13 66.149 0.099 . 1 . . . . . 71 I CA . 52793 3
447 . 2 . 1 71 71 ILE CB C 13 38.670 0.098 . 1 . . . . . 71 I CB . 52793 3
448 . 2 . 1 71 71 ILE CG1 C 13 31.559 0.128 . 1 . . . . . 71 I CG1 . 52793 3
449 . 2 . 1 71 71 ILE CG2 C 13 18.246 0.036 . 1 . . . . . 71 I CG2 . 52793 3
450 . 2 . 1 71 71 ILE CD1 C 13 14.348 0.068 . 1 . . . . . 71 I CD1 . 52793 3
451 . 2 . 1 73 73 LEU CA C 13 57.721 0.036 . 1 . . . . . 73 L CA . 52793 3
452 . 2 . 1 73 73 LEU CB C 13 41.416 0.100 . 1 . . . . . 73 L CB . 52793 3
453 . 2 . 1 73 73 LEU CG C 13 26.743 0.045 . 1 . . . . . 73 L CG . 52793 3
454 . 2 . 1 74 74 LEU CA C 13 57.829 0.000 . 1 . . . . . 74 L CA . 52793 3
455 . 2 . 1 74 74 LEU CB C 13 41.638 0.146 . 1 . . . . . 74 L CB . 52793 3
456 . 2 . 1 74 74 LEU CG C 13 26.403 0.000 . 1 . . . . . 74 L CG . 52793 3
457 . 2 . 1 74 74 LEU CD2 C 13 24.355 0.043 . 2 . . . . . 74 L CD2 . 52793 3
458 . 2 . 1 75 75 SER C C 13 177.053 0.000 . 1 . . . . . 75 S C . 52793 3
459 . 2 . 1 76 76 TRP C C 13 179.006 0.130 . 1 . . . . . 76 W C . 52793 3
460 . 2 . 1 76 76 TRP CB C 13 28.633 0.082 . 1 . . . . . 76 W CB . 52793 3
461 . 2 . 1 77 77 GLY C C 13 173.294 0.038 . 1 . . . . . 77 G C . 52793 3
462 . 2 . 1 79 79 PHE C C 13 177.088 0.096 . 1 . . . . . 79 F C . 52793 3
463 . 2 . 1 79 79 PHE CB C 13 39.445 0.000 . 1 . . . . . 79 F CB . 52793 3
464 . 2 . 1 80 80 GLY C C 13 174.651 0.118 . 1 . . . . . 80 G C . 52793 3
465 . 2 . 1 81 81 GLN C C 13 174.955 0.024 . 1 . . . . . 81 Q C . 52793 3
466 . 2 . 1 81 81 GLN CA C 13 55.908 0.045 . 1 . . . . . 81 Q CA . 52793 3
467 . 2 . 1 81 81 GLN CB C 13 28.788 0.060 . 1 . . . . . 81 Q CB . 52793 3
468 . 2 . 1 81 81 GLN CG C 13 33.667 0.040 . 1 . . . . . 81 Q CG . 52793 3
469 . 2 . 1 81 81 GLN CD C 13 179.794 0.054 . 1 . . . . . 81 Q CD . 52793 3
470 . 2 . 1 82 82 ARG C C 13 176.334 0.119 . 1 . . . . . 82 R C . 52793 3
471 . 2 . 1 82 82 ARG CA C 13 55.587 0.142 . 1 . . . . . 82 R CA . 52793 3
472 . 2 . 1 82 82 ARG CB C 13 30.526 0.000 . 1 . . . . . 82 R CB . 52793 3
473 . 2 . 1 82 82 ARG CG C 13 26.941 0.000 . 1 . . . . . 82 R CG . 52793 3
474 . 2 . 1 83 83 LEU CD1 C 13 25.379 0.000 . 2 . . . . . 83 L CD1 . 52793 3
475 . 2 . 1 84 84 ASP C C 13 174.786 0.102 . 1 . . . . . 84 D C . 52793 3
476 . 2 . 1 84 84 ASP CA C 13 50.903 0.051 . 1 . . . . . 84 D CA . 52793 3
477 . 2 . 1 84 84 ASP CB C 13 42.378 0.085 . 1 . . . . . 84 D CB . 52793 3
478 . 2 . 1 84 84 ASP CG C 13 180.518 0.089 . 1 . . . . . 84 D CG . 52793 3
479 . 2 . 1 85 85 LEU C C 13 175.735 0.103 . 1 . . . . . 85 L C . 52793 3
480 . 2 . 1 85 85 LEU CA C 13 60.147 0.040 . 1 . . . . . 85 L CA . 52793 3
481 . 2 . 1 85 85 LEU CG C 13 26.839 0.168 . 1 . . . . . 85 L CG . 52793 3
482 . 2 . 1 85 85 LEU CD1 C 13 25.315 0.059 . 2 . . . . . 85 L CD1 . 52793 3
483 . 2 . 1 85 85 LEU CD2 C 13 23.235 0.184 . 2 . . . . . 85 L CD2 . 52793 3
484 . 2 . 1 86 86 PRO C C 13 177.943 0.064 . 1 . . . . . 86 P C . 52793 3
485 . 2 . 1 86 86 PRO CA C 13 66.358 0.117 . 1 . . . . . 86 P CA . 52793 3
486 . 2 . 1 86 86 PRO CB C 13 31.101 0.030 . 1 . . . . . 86 P CB . 52793 3
487 . 2 . 1 86 86 PRO CG C 13 28.480 0.181 . 1 . . . . . 86 P CG . 52793 3
488 . 2 . 1 87 87 ALA C C 13 180.067 0.000 . 1 . . . . . 87 A C . 52793 3
489 . 2 . 1 87 87 ALA CB C 13 17.164 0.000 . 1 . . . . . 87 A CB . 52793 3
490 . 2 . 1 88 88 ILE C C 13 179.053 0.000 . 1 . . . . . 88 I C . 52793 3
491 . 2 . 1 88 88 ILE CA C 13 65.495 0.053 . 1 . . . . . 88 I CA . 52793 3
492 . 2 . 1 88 88 ILE CG1 C 13 29.875 0.158 . 1 . . . . . 88 I CG1 . 52793 3
493 . 2 . 1 88 88 ILE CG2 C 13 18.067 0.089 . 1 . . . . . 88 I CG2 . 52793 3
494 . 2 . 1 88 88 ILE CD1 C 13 12.563 0.014 . 1 . . . . . 88 I CD1 . 52793 3
495 . 2 . 1 89 89 ILE CA C 13 65.610 0.046 . 1 . . . . . 89 I CA . 52793 3
496 . 2 . 1 89 89 ILE CB C 13 36.268 0.052 . 1 . . . . . 89 I CB . 52793 3
497 . 2 . 1 89 89 ILE CG1 C 13 29.675 0.087 . 1 . . . . . 89 I CG1 . 52793 3
498 . 2 . 1 89 89 ILE CG2 C 13 16.537 0.099 . 1 . . . . . 89 I CG2 . 52793 3
499 . 2 . 1 89 89 ILE CD1 C 13 14.647 0.000 . 1 . . . . . 89 I CD1 . 52793 3
500 . 2 . 1 90 90 GLY C C 13 175.600 0.127 . 1 . . . . . 90 G C . 52793 3
501 . 2 . 1 91 91 MET C C 13 178.693 0.106 . 1 . . . . . 91 M C . 52793 3
502 . 2 . 1 91 91 MET CA C 13 60.095 0.057 . 1 . . . . . 91 M CA . 52793 3
503 . 2 . 1 91 91 MET CB C 13 33.045 0.099 . 1 . . . . . 91 M CB . 52793 3
504 . 2 . 1 91 91 MET CG C 13 33.950 0.000 . 1 . . . . . 91 M CG . 52793 3
505 . 2 . 1 91 91 MET CE C 13 17.174 0.059 . 1 . . . . . 91 M CE . 52793 3
506 . 2 . 1 92 92 MET C C 13 177.889 0.089 . 1 . . . . . 92 M C . 52793 3
507 . 2 . 1 92 92 MET CA C 13 60.078 0.034 . 1 . . . . . 92 M CA . 52793 3
508 . 2 . 1 92 92 MET CB C 13 32.754 0.069 . 1 . . . . . 92 M CB . 52793 3
509 . 2 . 1 92 92 MET CG C 13 33.876 0.083 . 1 . . . . . 92 M CG . 52793 3
510 . 2 . 1 92 92 MET CE C 13 17.073 0.064 . 1 . . . . . 92 M CE . 52793 3
511 . 2 . 1 93 93 LEU CA C 13 58.442 0.038 . 1 . . . . . 93 L CA . 52793 3
512 . 2 . 1 93 93 LEU CG C 13 26.838 0.003 . 1 . . . . . 93 L CG . 52793 3
513 . 2 . 1 93 93 LEU CD2 C 13 24.398 0.047 . 2 . . . . . 93 L CD2 . 52793 3
514 . 2 . 1 94 94 ILE C C 13 178.188 0.092 . 1 . . . . . 94 I C . 52793 3
515 . 2 . 1 94 94 ILE CA C 13 65.644 0.027 . 1 . . . . . 94 I CA . 52793 3
516 . 2 . 1 94 94 ILE CG1 C 13 29.215 0.023 . 1 . . . . . 94 I CG1 . 52793 3
517 . 2 . 1 94 94 ILE CG2 C 13 17.193 0.024 . 1 . . . . . 94 I CG2 . 52793 3
518 . 2 . 1 95 95 CYS C C 13 176.462 0.100 . 1 . . . . . 95 C C . 52793 3
519 . 2 . 1 95 95 CYS CB C 13 26.645 0.098 . 1 . . . . . 95 C CB . 52793 3
520 . 2 . 1 96 96 ALA C C 13 178.747 0.067 . 1 . . . . . 96 A C . 52793 3
521 . 2 . 1 96 96 ALA CA C 13 55.426 0.009 . 1 . . . . . 96 A CA . 52793 3
522 . 2 . 1 96 96 ALA CB C 13 18.411 0.070 . 1 . . . . . 96 A CB . 52793 3
523 . 2 . 1 97 97 GLY C C 13 175.106 0.085 . 1 . . . . . 97 G C . 52793 3
524 . 2 . 1 98 98 VAL CG2 C 13 23.338 0.033 . 2 . . . . . 98 V CG2 . 52793 3
525 . 2 . 1 100 100 ILE C C 13 177.960 0.000 . 1 . . . . . 100 I C . 52793 3
526 . 2 . 1 100 100 ILE CA C 13 66.162 0.022 . 1 . . . . . 100 I CA . 52793 3
527 . 2 . 1 100 100 ILE CG1 C 13 29.690 0.000 . 1 . . . . . 100 I CG1 . 52793 3
528 . 2 . 1 100 100 ILE CG2 C 13 17.181 0.020 . 1 . . . . . 100 I CG2 . 52793 3
529 . 2 . 1 101 101 ILE C C 13 177.637 0.151 . 1 . . . . . 101 I C . 52793 3
530 . 2 . 1 101 101 ILE CB C 13 38.498 0.000 . 1 . . . . . 101 I CB . 52793 3
531 . 2 . 1 101 101 ILE CG1 C 13 29.824 0.075 . 1 . . . . . 101 I CG1 . 52793 3
532 . 2 . 1 101 101 ILE CG2 C 13 18.567 0.069 . 1 . . . . . 101 I CG2 . 52793 3
533 . 2 . 1 101 101 ILE CD1 C 13 14.719 0.058 . 1 . . . . . 101 I CD1 . 52793 3
534 . 2 . 1 102 102 ASN C C 13 176.494 0.088 . 1 . . . . . 102 N C . 52793 3
535 . 2 . 1 102 102 ASN CA C 13 56.766 0.000 . 1 . . . . . 102 N CA . 52793 3
536 . 2 . 1 102 102 ASN CB C 13 39.763 0.040 . 1 . . . . . 102 N CB . 52793 3
537 . 2 . 1 103 103 LEU CA C 13 55.697 0.000 . 1 . . . . . 103 L CA . 52793 3
538 . 2 . 1 104 104 LEU C C 13 176.748 0.000 . 1 . . . . . 104 L C . 52793 3
539 . 2 . 1 104 104 LEU CD1 C 13 25.985 0.089 . 2 . . . . . 104 L CD1 . 52793 3
540 . 2 . 1 104 104 LEU CD2 C 13 23.630 0.020 . 2 . . . . . 104 L CD2 . 52793 3
541 . 2 . 1 105 105 SER CA C 13 57.481 0.000 . 1 . . . . . 105 S CA . 52793 3
542 . 2 . 1 106 106 ARG C C 13 177.433 0.043 . 1 . . . . . 106 R C . 52793 3
543 . 2 . 1 107 107 SER CA C 13 58.416 0.020 . 1 . . . . . 107 S CA . 52793 3
544 . 2 . 1 107 107 SER CB C 13 64.597 0.000 . 1 . . . . . 107 S CB . 52793 3
545 . 2 . 1 108 108 THR CB C 13 68.716 0.037 . 1 . . . . . 108 T CB . 52793 3
546 . 2 . 1 108 108 THR CG2 C 13 22.316 0.089 . 1 . . . . . 108 T CG2 . 52793 3
547 . 2 . 1 109 109 PRO C C 13 175.587 0.147 . 1 . . . . . 109 P C . 52793 3
548 . 2 . 1 109 109 PRO CA C 13 64.223 0.000 . 1 . . . . . 109 P CA . 52793 3
549 . 2 . 1 109 109 PRO CB C 13 31.748 0.045 . 1 . . . . . 109 P CB . 52793 3
550 . 2 . 1 110 110 HIS CB C 13 30.419 0.000 . 1 . . . . . 110 H CB . 52793 3
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