Content for NMR-STAR saveframe, "chem_shift_list_1"
save_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 7111
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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 NCA 1 $sample_1 microcrystalline 7111 1
2 NCO 1 $sample_1 microcrystalline 7111 1
3 '13C-13C PDSD' 1 $sample_1 microcrystalline 7111 1
4 '3D NCOCX' 1 $sample_1 microcrystalline 7111 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 $Sparky . . 7111 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 13 170.6 0.1 . 1 . . . . 1 MET C . 7111 1
2 . 1 1 1 1 MET CA C 13 54.4 0.1 . 1 . . . . 1 MET CA . 7111 1
3 . 1 1 2 2 GLN C C 13 176.2 0.1 . 1 . . . . 2 GLN C . 7111 1
4 . 1 1 2 2 GLN CA C 13 54.9 0.1 . 1 . . . . 2 GLN CA . 7111 1
5 . 1 1 2 2 GLN CB C 13 30.8 0.1 . 1 . . . . 2 GLN CB . 7111 1
6 . 1 1 2 2 GLN N N 15 125.4 0.1 . 1 . . . . 2 GLN N . 7111 1
7 . 1 1 3 3 ILE C C 13 171.7 0.1 . 1 . . . . 3 ILE C . 7111 1
8 . 1 1 3 3 ILE CA C 13 59.5 0.1 . 1 . . . . 3 ILE CA . 7111 1
9 . 1 1 3 3 ILE CB C 13 42.4 0.1 . 1 . . . . 3 ILE CB . 7111 1
10 . 1 1 3 3 ILE CG1 C 13 25.4 0.1 . 1 . . . . 3 ILE CG1 . 7111 1
11 . 1 1 3 3 ILE CG2 C 13 18.1 0.1 . 1 . . . . 3 ILE CG2 . 7111 1
12 . 1 1 3 3 ILE CD1 C 13 14.3 0.1 . 1 . . . . 3 ILE CD1 . 7111 1
13 . 1 1 3 3 ILE N N 15 116.4 0.1 . 1 . . . . 3 ILE N . 7111 1
14 . 1 1 4 4 PHE C C 13 175.3 0.1 . 1 . . . . 4 PHE C . 7111 1
15 . 1 1 4 4 PHE CA C 13 54.6 0.1 . 1 . . . . 4 PHE CA . 7111 1
16 . 1 1 4 4 PHE CB C 13 41.2 0.1 . 1 . . . . 4 PHE CB . 7111 1
17 . 1 1 4 4 PHE CG C 13 140.0 0.1 . 1 . . . . 4 PHE CG . 7111 1
18 . 1 1 4 4 PHE CD1 C 13 132.3 0.3 . 1 . . . . 4 PHE CD1 . 7111 1
19 . 1 1 4 4 PHE CE1 C 13 131.2 0.3 . 1 . . . . 4 PHE CE1 . 7111 1
20 . 1 1 4 4 PHE CZ C 13 129.4 0.2 . 1 . . . . 4 PHE CZ . 7111 1
21 . 1 1 4 4 PHE N N 15 118.9 0.1 . 1 . . . . 4 PHE N . 7111 1
22 . 1 1 5 5 VAL C C 13 174.4 0.1 . 1 . . . . 5 VAL C . 7111 1
23 . 1 1 5 5 VAL CA C 13 60.7 0.1 . 1 . . . . 5 VAL CA . 7111 1
24 . 1 1 5 5 VAL CB C 13 35.1 0.1 . 1 . . . . 5 VAL CB . 7111 1
25 . 1 1 5 5 VAL CG1 C 13 23.1 0.1 . 1 . . . . 5 VAL CG1 . 7111 1
26 . 1 1 5 5 VAL CG2 C 13 20.9 0.1 . 1 . . . . 5 VAL CG2 . 7111 1
27 . 1 1 5 5 VAL N N 15 120.9 0.1 . 1 . . . . 5 VAL N . 7111 1
28 . 1 1 6 6 LYS C C 13 177.5 0.1 . 1 . . . . 6 LYS C . 7111 1
29 . 1 1 6 6 LYS CA C 13 54.3 0.1 . 1 . . . . 6 LYS CA . 7111 1
30 . 1 1 6 6 LYS CB C 13 35.5 0.1 . 1 . . . . 6 LYS CB . 7111 1
31 . 1 1 6 6 LYS CG C 13 22.7 0.1 . 1 . . . . 6 LYS CG . 7111 1
32 . 1 1 6 6 LYS N N 15 128.7 0.2 . 1 . . . . 6 LYS N . 7111 1
33 . 1 1 7 7 THR CA C 13 60.5 0.1 . 1 . . . . 7 THR CA . 7111 1
34 . 1 1 7 7 THR CB C 13 70.4 0.2 . 1 . . . . 7 THR CB . 7111 1
35 . 1 1 7 7 THR CG2 C 13 21.7 0.2 . 1 . . . . 7 THR CG2 . 7111 1
36 . 1 1 7 7 THR N N 15 118.5 0.1 . 1 . . . . 7 THR N . 7111 1
37 . 1 1 12 12 THR C C 13 174.1 0.1 . 1 . . . . 12 THR C . 7111 1
38 . 1 1 12 12 THR CA C 13 62.2 0.2 . 1 . . . . 12 THR CA . 7111 1
39 . 1 1 12 12 THR CB C 13 69.4 0.2 . 1 . . . . 12 THR CB . 7111 1
40 . 1 1 12 12 THR CG2 C 13 22.5 0.3 . 1 . . . . 12 THR CG2 . 7111 1
41 . 1 1 13 13 ILE C C 13 175.5 0.1 . 1 . . . . 13 ILE C . 7111 1
42 . 1 1 13 13 ILE CA C 13 60.2 0.2 . 1 . . . . 13 ILE CA . 7111 1
43 . 1 1 13 13 ILE CB C 13 41.2 0.1 . 1 . . . . 13 ILE CB . 7111 1
44 . 1 1 13 13 ILE CG1 C 13 27.3 0.1 . 1 . . . . 13 ILE CG1 . 7111 1
45 . 1 1 13 13 ILE CG2 C 13 17.6 0.1 . 1 . . . . 13 ILE CG2 . 7111 1
46 . 1 1 13 13 ILE CD1 C 13 14.8 0.1 . 1 . . . . 13 ILE CD1 . 7111 1
47 . 1 1 13 13 ILE N N 15 128.3 0.1 . 1 . . . . 13 ILE N . 7111 1
48 . 1 1 14 14 THR C C 13 173.6 0.1 . 1 . . . . 14 THR C . 7111 1
49 . 1 1 14 14 THR CA C 13 62.2 0.1 . 1 . . . . 14 THR CA . 7111 1
50 . 1 1 14 14 THR CB C 13 69.6 0.1 . 1 . . . . 14 THR CB . 7111 1
51 . 1 1 14 14 THR CG2 C 13 22.5 0.1 . 1 . . . . 14 THR CG2 . 7111 1
52 . 1 1 14 14 THR N N 15 122.2 0.2 . 1 . . . . 14 THR N . 7111 1
53 . 1 1 15 15 LEU C C 13 174.8 0.1 . 1 . . . . 15 LEU C . 7111 1
54 . 1 1 15 15 LEU CA C 13 52.8 0.1 . 1 . . . . 15 LEU CA . 7111 1
55 . 1 1 15 15 LEU CB C 13 47.3 0.1 . 1 . . . . 15 LEU CB . 7111 1
56 . 1 1 15 15 LEU CG C 13 27.3 0.1 . 1 . . . . 15 LEU CG . 7111 1
57 . 1 1 15 15 LEU CD1 C 13 26.9 0.1 . 1 . . . . 15 LEU CD1 . 7111 1
58 . 1 1 15 15 LEU CD2 C 13 24.1 0.1 . 1 . . . . 15 LEU CD2 . 7111 1
59 . 1 1 15 15 LEU N N 15 125.0 0.1 . 1 . . . . 15 LEU N . 7111 1
60 . 1 1 16 16 GLU C C 13 175.9 0.1 . 1 . . . . 16 GLU C . 7111 1
61 . 1 1 16 16 GLU CA C 13 54.8 0.1 . 1 . . . . 16 GLU CA . 7111 1
62 . 1 1 16 16 GLU CB C 13 29.9 0.1 . 1 . . . . 16 GLU CB . 7111 1
63 . 1 1 16 16 GLU CG C 13 35.4 0.1 . 1 . . . . 16 GLU CG . 7111 1
64 . 1 1 16 16 GLU N N 15 123.0 0.1 . 1 . . . . 16 GLU N . 7111 1
65 . 1 1 17 17 VAL C C 13 174.4 0.1 . 1 . . . . 17 VAL C . 7111 1
66 . 1 1 17 17 VAL CA C 13 58.5 0.1 . 1 . . . . 17 VAL CA . 7111 1
67 . 1 1 17 17 VAL CB C 13 35.8 0.1 . 1 . . . . 17 VAL CB . 7111 1
68 . 1 1 17 17 VAL CG1 C 13 22.2 0.1 . 1 . . . . 17 VAL CG1 . 7111 1
69 . 1 1 17 17 VAL CG2 C 13 19.8 0.1 . 1 . . . . 17 VAL CG2 . 7111 1
70 . 1 1 17 17 VAL N N 15 119.4 0.1 . 1 . . . . 17 VAL N . 7111 1
71 . 1 1 18 18 GLU C C 13 176.5 0.1 . 1 . . . . 18 GLU C . 7111 1
72 . 1 1 18 18 GLU CA C 13 52.6 0.1 . 1 . . . . 18 GLU CA . 7111 1
73 . 1 1 18 18 GLU CB C 13 30.8 0.1 . 1 . . . . 18 GLU CB . 7111 1
74 . 1 1 18 18 GLU CG C 13 36.1 0.1 . 1 . . . . 18 GLU CG . 7111 1
75 . 1 1 18 18 GLU CD C 13 183.1 0.1 . 1 . . . . 18 GLU CD . 7111 1
76 . 1 1 18 18 GLU N N 15 119.8 0.1 . 1 . . . . 18 GLU N . 7111 1
77 . 1 1 19 19 PRO C C 13 175.3 0.1 . 1 . . . . 19 PRO C . 7111 1
78 . 1 1 19 19 PRO CA C 13 65.1 0.1 . 1 . . . . 19 PRO CA . 7111 1
79 . 1 1 19 19 PRO CB C 13 32.2 0.1 . 1 . . . . 19 PRO CB . 7111 1
80 . 1 1 19 19 PRO CG C 13 28.0 0.1 . 1 . . . . 19 PRO CG . 7111 1
81 . 1 1 19 19 PRO CD C 13 50.4 0.1 . 1 . . . . 19 PRO CD . 7111 1
82 . 1 1 19 19 PRO N N 15 133.7 0.1 . 1 . . . . 19 PRO N . 7111 1
83 . 1 1 20 20 SER C C 13 173.7 0.1 . 1 . . . . 20 SER C . 7111 1
84 . 1 1 20 20 SER CA C 13 57.0 0.1 . 1 . . . . 20 SER CA . 7111 1
85 . 1 1 20 20 SER CB C 13 63.6 0.1 . 1 . . . . 20 SER CB . 7111 1
86 . 1 1 20 20 SER N N 15 103.5 0.1 . 1 . . . . 20 SER N . 7111 1
87 . 1 1 21 21 ASP C C 13 176.3 0.1 . 1 . . . . 21 ASP C . 7111 1
88 . 1 1 21 21 ASP CA C 13 55.2 0.1 . 1 . . . . 21 ASP CA . 7111 1
89 . 1 1 21 21 ASP CB C 13 40.5 0.1 . 1 . . . . 21 ASP CB . 7111 1
90 . 1 1 21 21 ASP CG C 13 179.3 0.1 . 1 . . . . 21 ASP CG . 7111 1
91 . 1 1 21 21 ASP N N 15 125.6 0.1 . 1 . . . . 21 ASP N . 7111 1
92 . 1 1 22 22 THR C C 13 176.9 0.1 . 1 . . . . 22 THR C . 7111 1
93 . 1 1 22 22 THR CA C 13 60.4 0.1 . 1 . . . . 22 THR CA . 7111 1
94 . 1 1 22 22 THR CB C 13 72.0 0.1 . 1 . . . . 22 THR CB . 7111 1
95 . 1 1 22 22 THR CG2 C 13 22.1 0.1 . 1 . . . . 22 THR CG2 . 7111 1
96 . 1 1 22 22 THR N N 15 110.9 0.2 . 1 . . . . 22 THR N . 7111 1
97 . 1 1 23 23 ILE C C 13 178.5 0.1 . 1 . . . . 23 ILE C . 7111 1
98 . 1 1 23 23 ILE CA C 13 62.0 0.1 . 1 . . . . 23 ILE CA . 7111 1
99 . 1 1 23 23 ILE CB C 13 35.0 0.1 . 1 . . . . 23 ILE CB . 7111 1
100 . 1 1 23 23 ILE CG1 C 13 27.2 0.1 . 1 . . . . 23 ILE CG1 . 7111 1
101 . 1 1 23 23 ILE CG2 C 13 18.0 0.1 . 1 . . . . 23 ILE CG2 . 7111 1
102 . 1 1 23 23 ILE CD1 C 13 8.5 0.1 . 1 . . . . 23 ILE CD1 . 7111 1
103 . 1 1 23 23 ILE N N 15 119.6 0.2 . 1 . . . . 23 ILE N . 7111 1
104 . 1 1 24 24 GLU C C 13 178.8 0.1 . 1 . . . . 24 GLU C . 7111 1
105 . 1 1 24 24 GLU CA C 13 59.9 0.1 . 1 . . . . 24 GLU CA . 7111 1
106 . 1 1 24 24 GLU CB C 13 27.8 0.1 . 1 . . . . 24 GLU CB . 7111 1
107 . 1 1 24 24 GLU N N 15 119.7 0.2 . 1 . . . . 24 GLU N . 7111 1
108 . 1 1 25 25 ASN C C 13 176.9 0.1 . 1 . . . . 25 ASN C . 7111 1
109 . 1 1 25 25 ASN CA C 13 55.9 0.1 . 1 . . . . 25 ASN CA . 7111 1
110 . 1 1 25 25 ASN CB C 13 38.2 0.1 . 1 . . . . 25 ASN CB . 7111 1
111 . 1 1 25 25 ASN N N 15 118.9 0.1 . 1 . . . . 25 ASN N . 7111 1
112 . 1 1 26 26 VAL C C 13 178.3 0.1 . 1 . . . . 26 VAL C . 7111 1
113 . 1 1 26 26 VAL CA C 13 67.9 0.1 . 1 . . . . 26 VAL CA . 7111 1
114 . 1 1 26 26 VAL CB C 13 31.0 0.1 . 1 . . . . 26 VAL CB . 7111 1
115 . 1 1 26 26 VAL CG1 C 13 21.6 0.1 . 1 . . . . 26 VAL CG1 . 7111 1
116 . 1 1 26 26 VAL CG2 C 13 23.4 0.1 . 1 . . . . 26 VAL CG2 . 7111 1
117 . 1 1 26 26 VAL N N 15 119.2 0.1 . 1 . . . . 26 VAL N . 7111 1
118 . 1 1 27 27 LYS C C 13 180.4 0.1 . 1 . . . . 27 LYS C . 7111 1
119 . 1 1 27 27 LYS CA C 13 59.3 0.1 . 1 . . . . 27 LYS CA . 7111 1
120 . 1 1 27 27 LYS CB C 13 34.3 0.1 . 1 . . . . 27 LYS CB . 7111 1
121 . 1 1 27 27 LYS CG C 13 26.1 0.1 . 1 . . . . 27 LYS CG . 7111 1
122 . 1 1 27 27 LYS CD C 13 30.5 0.1 . 1 . . . . 27 LYS CD . 7111 1
123 . 1 1 27 27 LYS CE C 13 42.4 0.1 . 1 . . . . 27 LYS CE . 7111 1
124 . 1 1 27 27 LYS N N 15 117.4 0.1 . 1 . . . . 27 LYS N . 7111 1
125 . 1 1 28 28 ALA C C 13 180.7 0.1 . 1 . . . . 28 ALA C . 7111 1
126 . 1 1 28 28 ALA CA C 13 55.7 0.1 . 1 . . . . 28 ALA CA . 7111 1
127 . 1 1 28 28 ALA CB C 13 18.7 0.1 . 1 . . . . 28 ALA CB . 7111 1
128 . 1 1 28 28 ALA N N 15 125.9 0.2 . 1 . . . . 28 ALA N . 7111 1
129 . 1 1 29 29 LYS C C 13 180.6 0.1 . 1 . . . . 29 LYS C . 7111 1
130 . 1 1 29 29 LYS CA C 13 60.5 0.1 . 1 . . . . 29 LYS CA . 7111 1
131 . 1 1 29 29 LYS CB C 13 33.3 0.1 . 1 . . . . 29 LYS CB . 7111 1
132 . 1 1 29 29 LYS CG C 13 27.4 0.1 . 1 . . . . 29 LYS CG . 7111 1
133 . 1 1 29 29 LYS CD C 13 30.3 0.1 . 1 . . . . 29 LYS CD . 7111 1
134 . 1 1 29 29 LYS CE C 13 42.7 0.1 . 1 . . . . 29 LYS CE . 7111 1
135 . 1 1 29 29 LYS N N 15 122.1 0.1 . 1 . . . . 29 LYS N . 7111 1
136 . 1 1 30 30 ILE C C 13 178.4 0.1 . 1 . . . . 30 ILE C . 7111 1
137 . 1 1 30 30 ILE CA C 13 66.1 0.1 . 1 . . . . 30 ILE CA . 7111 1
138 . 1 1 30 30 ILE CB C 13 36.8 0.1 . 1 . . . . 30 ILE CB . 7111 1
139 . 1 1 30 30 ILE CG1 C 13 31.2 0.1 . 1 . . . . 30 ILE CG1 . 7111 1
140 . 1 1 30 30 ILE CG2 C 13 16.6 0.1 . 1 . . . . 30 ILE CG2 . 7111 1
141 . 1 1 30 30 ILE CD1 C 13 15.6 0.1 . 1 . . . . 30 ILE CD1 . 7111 1
142 . 1 1 30 30 ILE N N 15 122.1 0.1 . 1 . . . . 30 ILE N . 7111 1
143 . 1 1 31 31 GLN C C 13 179.0 0.1 . 1 . . . . 31 GLN C . 7111 1
144 . 1 1 31 31 GLN CA C 13 59.6 0.1 . 1 . . . . 31 GLN CA . 7111 1
145 . 1 1 31 31 GLN CB C 13 27.9 0.1 . 1 . . . . 31 GLN CB . 7111 1
146 . 1 1 31 31 GLN CG C 13 32.6 0.1 . 1 . . . . 31 GLN CG . 7111 1
147 . 1 1 31 31 GLN CD C 13 177.1 0.1 . 1 . . . . 31 GLN CD . 7111 1
148 . 1 1 31 31 GLN N N 15 126.0 0.2 . 1 . . . . 31 GLN N . 7111 1
149 . 1 1 31 31 GLN NE2 N 15 106.3 0.2 . 1 . . . . 31 GLN NE . 7111 1
150 . 1 1 32 32 ASP C C 13 176.7 0.1 . 1 . . . . 32 ASP C . 7111 1
151 . 1 1 32 32 ASP CA C 13 56.2 0.1 . 1 . . . . 32 ASP CA . 7111 1
152 . 1 1 32 32 ASP CB C 13 41.7 0.1 . 1 . . . . 32 ASP CB . 7111 1
153 . 1 1 32 32 ASP N N 15 118.8 0.1 . 1 . . . . 32 ASP N . 7111 1
154 . 1 1 33 33 LYS C C 13 178.0 0.1 . 1 . . . . 33 LYS C . 7111 1
155 . 1 1 33 33 LYS CA C 13 58.7 0.1 . 1 . . . . 33 LYS CA . 7111 1
156 . 1 1 33 33 LYS CB C 13 34.3 0.1 . 1 . . . . 33 LYS CB . 7111 1
157 . 1 1 33 33 LYS CG C 13 26.5 0.1 . 1 . . . . 33 LYS CG . 7111 1
158 . 1 1 33 33 LYS CD C 13 29.7 0.1 . 1 . . . . 33 LYS CD . 7111 1
159 . 1 1 33 33 LYS CE C 13 41.6 0.1 . 1 . . . . 33 LYS CE . 7111 1
160 . 1 1 33 33 LYS N N 15 113.3 0.1 . 1 . . . . 33 LYS N . 7111 1
161 . 1 1 34 34 GLU C C 13 178.4 0.1 . 1 . . . . 34 GLU C . 7111 1
162 . 1 1 34 34 GLU CA C 13 55.6 0.1 . 1 . . . . 34 GLU CA . 7111 1
163 . 1 1 34 34 GLU CB C 13 32.8 0.1 . 1 . . . . 34 GLU CB . 7111 1
164 . 1 1 34 34 GLU N N 15 113.5 0.1 . 1 . . . . 34 GLU N . 7111 1
165 . 1 1 35 35 GLY C C 13 173.3 0.2 . 1 . . . . 35 GLY C . 7111 1
166 . 1 1 35 35 GLY CA C 13 45.6 0.1 . 1 . . . . 35 GLY CA . 7111 1
167 . 1 1 35 35 GLY N N 15 110.8 0.1 . 1 . . . . 35 GLY N . 7111 1
168 . 1 1 36 36 ILE C C 13 173.0 0.1 . 1 . . . . 36 ILE C . 7111 1
169 . 1 1 36 36 ILE CA C 13 57.8 0.1 . 1 . . . . 36 ILE CA . 7111 1
170 . 1 1 36 36 ILE CB C 13 40.3 0.1 . 1 . . . . 36 ILE CB . 7111 1
171 . 1 1 36 36 ILE CG1 C 13 27.7 0.1 . 1 . . . . 36 ILE CG1 . 7111 1
172 . 1 1 36 36 ILE CG2 C 13 17.7 0.1 . 1 . . . . 36 ILE CG2 . 7111 1
173 . 1 1 36 36 ILE CD1 C 13 14.1 0.1 . 1 . . . . 36 ILE CD1 . 7111 1
174 . 1 1 36 36 ILE N N 15 120.7 0.1 . 1 . . . . 36 ILE N . 7111 1
175 . 1 1 37 37 PRO C C 13 176.6 0.1 . 1 . . . . 37 PRO C . 7111 1
176 . 1 1 37 37 PRO CA C 13 61.7 0.1 . 1 . . . . 37 PRO CA . 7111 1
177 . 1 1 37 37 PRO CB C 13 32.1 0.1 . 1 . . . . 37 PRO CB . 7111 1
178 . 1 1 37 37 PRO CG C 13 28.4 0.2 . 1 . . . . 37 PRO CG . 7111 1
179 . 1 1 37 37 PRO CD C 13 50.9 0.1 . 1 . . . . 37 PRO CD . 7111 1
180 . 1 1 37 37 PRO N N 15 141.8 0.1 . 1 . . . . 37 PRO N . 7111 1
181 . 1 1 38 38 PRO C C 13 178.3 0.1 . 1 . . . . 38 PRO C . 7111 1
182 . 1 1 38 38 PRO CA C 13 66.4 0.1 . 1 . . . . 38 PRO CA . 7111 1
183 . 1 1 38 38 PRO CB C 13 33.5 0.1 . 1 . . . . 38 PRO CB . 7111 1
184 . 1 1 38 38 PRO CG C 13 27.9 0.1 . 1 . . . . 38 PRO CG . 7111 1
185 . 1 1 38 38 PRO CD C 13 51.3 0.1 . 1 . . . . 38 PRO CD . 7111 1
186 . 1 1 38 38 PRO N N 15 135.5 0.1 . 1 . . . . 38 PRO N . 7111 1
187 . 1 1 39 39 ASP C C 13 176.6 0.1 . 1 . . . . 39 ASP C . 7111 1
188 . 1 1 39 39 ASP CA C 13 55.5 0.1 . 1 . . . . 39 ASP CA . 7111 1
189 . 1 1 39 39 ASP CB C 13 40.6 0.1 . 1 . . . . 39 ASP CB . 7111 1
190 . 1 1 39 39 ASP N N 15 113.3 0.1 . 1 . . . . 39 ASP N . 7111 1
191 . 1 1 40 40 GLN C C 13 175.2 0.1 . 1 . . . . 40 GLN C . 7111 1
192 . 1 1 40 40 GLN CA C 13 55.5 0.1 . 1 . . . . 40 GLN CA . 7111 1
193 . 1 1 40 40 GLN CB C 13 29.7 0.1 . 1 . . . . 40 GLN CB . 7111 1
194 . 1 1 40 40 GLN N N 15 117.2 0.1 . 1 . . . . 40 GLN N . 7111 1
195 . 1 1 41 41 GLN C C 13 176.7 0.1 . 1 . . . . 41 GLN C . 7111 1
196 . 1 1 41 41 GLN CA C 13 55.9 0.1 . 1 . . . . 41 GLN CA . 7111 1
197 . 1 1 41 41 GLN CB C 13 32.8 0.2 . 1 . . . . 41 GLN CB . 7111 1
198 . 1 1 41 41 GLN CG C 13 32.7 0.3 . 1 . . . . 41 GLN CG . 7111 1
199 . 1 1 41 41 GLN CD C 13 174.6 0.1 . 1 . . . . 41 GLN CD . 7111 1
200 . 1 1 41 41 GLN N N 15 118.8 0.1 . 1 . . . . 41 GLN N . 7111 1
201 . 1 1 41 41 GLN NE2 N 15 105.8 0.1 . 1 . . . . 41 GLN NE . 7111 1
202 . 1 1 42 42 ARG C C 13 174.3 0.1 . 1 . . . . 42 ARG C . 7111 1
203 . 1 1 42 42 ARG CA C 13 54.6 0.1 . 1 . . . . 42 ARG CA . 7111 1
204 . 1 1 42 42 ARG CB C 13 33.6 0.1 . 1 . . . . 42 ARG CB . 7111 1
205 . 1 1 42 42 ARG CG C 13 26.6 0.1 . 1 . . . . 42 ARG CG . 7111 1
206 . 1 1 42 42 ARG N N 15 121.2 0.2 . 1 . . . . 42 ARG N . 7111 1
207 . 1 1 43 43 LEU C C 13 175.5 0.1 . 1 . . . . 43 LEU C . 7111 1
208 . 1 1 43 43 LEU CA C 13 52.7 0.1 . 1 . . . . 43 LEU CA . 7111 1
209 . 1 1 43 43 LEU CB C 13 45.8 0.1 . 1 . . . . 43 LEU CB . 7111 1
210 . 1 1 43 43 LEU CG C 13 27.1 0.1 . 1 . . . . 43 LEU CG . 7111 1
211 . 1 1 43 43 LEU CD1 C 13 26.7 0.1 . 1 . . . . 43 LEU CD1 . 7111 1
212 . 1 1 43 43 LEU CD2 C 13 24.1 0.1 . 1 . . . . 43 LEU CD2 . 7111 1
213 . 1 1 43 43 LEU N N 15 123.8 0.2 . 1 . . . . 43 LEU N . 7111 1
214 . 1 1 44 44 ILE C C 13 176.1 0.1 . 1 . . . . 44 ILE C . 7111 1
215 . 1 1 44 44 ILE CA C 13 59.0 0.1 . 1 . . . . 44 ILE CA . 7111 1
216 . 1 1 44 44 ILE CB C 13 42.6 0.1 . 1 . . . . 44 ILE CB . 7111 1
217 . 1 1 44 44 ILE CG1 C 13 28.8 0.1 . 1 . . . . 44 ILE CG1 . 7111 1
218 . 1 1 44 44 ILE CG2 C 13 17.7 0.1 . 1 . . . . 44 ILE CG2 . 7111 1
219 . 1 1 44 44 ILE CD1 C 13 14.2 0.1 . 1 . . . . 44 ILE CD1 . 7111 1
220 . 1 1 44 44 ILE N N 15 123.0 0.1 . 1 . . . . 44 ILE N . 7111 1
221 . 1 1 45 45 PHE C C 13 174.3 0.1 . 1 . . . . 45 PHE C . 7111 1
222 . 1 1 45 45 PHE CA C 13 59.5 0.1 . 1 . . . . 45 PHE CA . 7111 1
223 . 1 1 45 45 PHE CB C 13 43.9 0.1 . 1 . . . . 45 PHE CB . 7111 1
224 . 1 1 45 45 PHE CG C 13 137.3 0.2 . 1 . . . . 45 PHE CG . 7111 1
225 . 1 1 45 45 PHE CD1 C 13 132.5 0.5 . 1 . . . . 45 PHE CD1 . 7111 1
226 . 1 1 45 45 PHE CE1 C 13 131.0 0.5 . 1 . . . . 45 PHE CE1 . 7111 1
227 . 1 1 45 45 PHE N N 15 125.5 0.1 . 1 . . . . 45 PHE N . 7111 1
228 . 1 1 46 46 ALA C C 13 178.0 0.1 . 1 . . . . 46 ALA C . 7111 1
229 . 1 1 46 46 ALA CA C 13 51.9 0.1 . 1 . . . . 46 ALA CA . 7111 1
230 . 1 1 46 46 ALA CB C 13 17.1 0.1 . 1 . . . . 46 ALA CB . 7111 1
231 . 1 1 46 46 ALA N N 15 132.8 0.1 . 1 . . . . 46 ALA N . 7111 1
232 . 1 1 47 47 GLY C C 13 173.6 0.1 . 1 . . . . 47 GLY C . 7111 1
233 . 1 1 47 47 GLY CA C 13 45.6 0.1 . 1 . . . . 47 GLY CA . 7111 1
234 . 1 1 47 47 GLY N N 15 103.2 0.1 . 1 . . . . 47 GLY N . 7111 1
235 . 1 1 48 48 LYS C C 13 174.8 0.1 . 1 . . . . 48 LYS C . 7111 1
236 . 1 1 48 48 LYS CA C 13 54.2 0.1 . 1 . . . . 48 LYS CA . 7111 1
237 . 1 1 48 48 LYS CB C 13 34.9 0.1 . 1 . . . . 48 LYS CB . 7111 1
238 . 1 1 48 48 LYS CD C 13 29.1 0.1 . 1 . . . . 48 LYS CD . 7111 1
239 . 1 1 48 48 LYS CE C 13 44.0 0.1 . 1 . . . . 48 LYS CE . 7111 1
240 . 1 1 48 48 LYS N N 15 121.0 0.1 . 1 . . . . 48 LYS N . 7111 1
241 . 1 1 49 49 GLN C C 13 176.1 0.1 . 1 . . . . 49 GLN C . 7111 1
242 . 1 1 49 49 GLN CA C 13 56.1 0.1 . 1 . . . . 49 GLN CA . 7111 1
243 . 1 1 49 49 GLN CB C 13 27.9 0.1 . 1 . . . . 49 GLN CB . 7111 1
244 . 1 1 49 49 GLN N N 15 122.8 0.1 . 1 . . . . 49 GLN N . 7111 1
245 . 1 1 50 50 LEU C C 13 176.9 0.1 . 1 . . . . 50 LEU C . 7111 1
246 . 1 1 50 50 LEU CA C 13 54.5 0.1 . 1 . . . . 50 LEU CA . 7111 1
247 . 1 1 50 50 LEU CB C 13 40.7 0.1 . 1 . . . . 50 LEU CB . 7111 1
248 . 1 1 50 50 LEU CG C 13 26.1 0.3 . 1 . . . . 50 LEU CG . 7111 1
249 . 1 1 50 50 LEU CD1 C 13 26.1 0.3 . 1 . . . . 50 LEU CD1 . 7111 1
250 . 1 1 50 50 LEU CD2 C 13 19.5 0.1 . 1 . . . . 50 LEU CD2 . 7111 1
251 . 1 1 50 50 LEU N N 15 128.6 0.1 . 1 . . . . 50 LEU N . 7111 1
252 . 1 1 51 51 GLU C C 13 174.8 0.1 . 1 . . . . 51 GLU C . 7111 1
253 . 1 1 51 51 GLU CA C 13 56.2 0.1 . 1 . . . . 51 GLU CA . 7111 1
254 . 1 1 51 51 GLU CB C 13 32.6 0.1 . 1 . . . . 51 GLU CB . 7111 1
255 . 1 1 51 51 GLU N N 15 124.7 0.2 . 1 . . . . 51 GLU N . 7111 1
256 . 1 1 52 52 ASP C C 13 176.8 0.1 . 1 . . . . 52 ASP C . 7111 1
257 . 1 1 52 52 ASP CA C 13 56.1 0.1 . 1 . . . . 52 ASP CA . 7111 1
258 . 1 1 52 52 ASP CB C 13 38.2 0.1 . 1 . . . . 52 ASP CB . 7111 1
259 . 1 1 52 52 ASP N N 15 122.4 0.1 . 1 . . . . 52 ASP N . 7111 1
260 . 1 1 53 53 GLY C C 13 174.4 0.1 . 1 . . . . 53 GLY C . 7111 1
261 . 1 1 53 53 GLY CA C 13 44.9 0.1 . 1 . . . . 53 GLY CA . 7111 1
262 . 1 1 53 53 GLY N N 15 113.6 0.1 . 1 . . . . 53 GLY N . 7111 1
263 . 1 1 54 54 ARG C C 13 175.5 0.1 . 1 . . . . 54 ARG C . 7111 1
264 . 1 1 54 54 ARG CA C 13 53.8 0.1 . 1 . . . . 54 ARG CA . 7111 1
265 . 1 1 54 54 ARG CB C 13 32.8 0.1 . 1 . . . . 54 ARG CB . 7111 1
266 . 1 1 54 54 ARG CG C 13 27.3 0.1 . 1 . . . . 54 ARG CG . 7111 1
267 . 1 1 54 54 ARG CD C 13 44.9 0.1 . 1 . . . . 54 ARG CD . 7111 1
268 . 1 1 54 54 ARG N N 15 119.5 0.1 . 1 . . . . 54 ARG N . 7111 1
269 . 1 1 55 55 THR C C 13 176.6 0.1 . 1 . . . . 55 THR C . 7111 1
270 . 1 1 55 55 THR CA C 13 59.5 0.1 . 1 . . . . 55 THR CA . 7111 1
271 . 1 1 55 55 THR CB C 13 72.6 0.1 . 1 . . . . 55 THR CB . 7111 1
272 . 1 1 55 55 THR CG2 C 13 22.8 0.1 . 1 . . . . 55 THR CG2 . 7111 1
273 . 1 1 55 55 THR N N 15 109.7 0.2 . 1 . . . . 55 THR N . 7111 1
274 . 1 1 56 56 LEU C C 13 180.4 0.1 . 1 . . . . 56 LEU C . 7111 1
275 . 1 1 56 56 LEU CA C 13 58.7 0.1 . 1 . . . . 56 LEU CA . 7111 1
276 . 1 1 56 56 LEU CB C 13 40.5 0.1 . 1 . . . . 56 LEU CB . 7111 1
277 . 1 1 56 56 LEU CD1 C 13 27.1 0.3 . 1 . . . . 56 LEU CD1 . 7111 1
278 . 1 1 56 56 LEU CD2 C 13 22.4 0.1 . 1 . . . . 56 LEU CD2 . 7111 1
279 . 1 1 56 56 LEU N N 15 118.2 0.1 . 1 . . . . 56 LEU N . 7111 1
280 . 1 1 57 57 SER C C 13 178.4 0.1 . 1 . . . . 57 SER C . 7111 1
281 . 1 1 57 57 SER CA C 13 61.6 0.1 . 1 . . . . 57 SER CA . 7111 1
282 . 1 1 57 57 SER CB C 13 62.5 0.2 . 1 . . . . 57 SER CB . 7111 1
283 . 1 1 57 57 SER N N 15 113.5 0.1 . 1 . . . . 57 SER N . 7111 1
284 . 1 1 58 58 ASP C C 13 177.8 0.1 . 1 . . . . 58 ASP C . 7111 1
285 . 1 1 58 58 ASP CA C 13 57.7 0.1 . 1 . . . . 58 ASP CA . 7111 1
286 . 1 1 58 58 ASP CB C 13 40.4 0.1 . 1 . . . . 58 ASP CB . 7111 1
287 . 1 1 58 58 ASP N N 15 125.6 0.1 . 1 . . . . 58 ASP N . 7111 1
288 . 1 1 59 59 TYR C C 13 174.3 0.1 . 1 . . . . 59 TYR C . 7111 1
289 . 1 1 59 59 TYR CA C 13 59.0 0.1 . 1 . . . . 59 TYR CA . 7111 1
290 . 1 1 59 59 TYR CB C 13 40.3 0.1 . 1 . . . . 59 TYR CB . 7111 1
291 . 1 1 59 59 TYR CG C 13 133.0 0.7 . 1 . . . . 59 TYR CG . 7111 1
292 . 1 1 59 59 TYR CD1 C 13 133.0 0.7 . 1 . . . . 59 TYR CD1 . 7111 1
293 . 1 1 59 59 TYR CE1 C 13 118.4 0.2 . 1 . . . . 59 TYR CE1 . 7111 1
294 . 1 1 59 59 TYR CZ C 13 157.2 0.2 . 1 . . . . 59 TYR CZ . 7111 1
295 . 1 1 59 59 TYR N N 15 115.8 0.1 . 1 . . . . 59 TYR N . 7111 1
296 . 1 1 60 60 ASN C C 13 173.0 0.1 . 1 . . . . 60 ASN C . 7111 1
297 . 1 1 60 60 ASN CA C 13 53.0 0.1 . 1 . . . . 60 ASN CA . 7111 1
298 . 1 1 60 60 ASN CB C 13 37.3 0.1 . 1 . . . . 60 ASN CB . 7111 1
299 . 1 1 60 60 ASN N N 15 118.9 0.1 . 1 . . . . 60 ASN N . 7111 1
300 . 1 1 61 61 ILE C C 13 175.1 0.1 . 1 . . . . 61 ILE C . 7111 1
301 . 1 1 61 61 ILE CA C 13 61.9 0.1 . 1 . . . . 61 ILE CA . 7111 1
302 . 1 1 61 61 ILE CB C 13 37.1 0.1 . 1 . . . . 61 ILE CB . 7111 1
303 . 1 1 61 61 ILE CG1 C 13 28.4 0.1 . 1 . . . . 61 ILE CG1 . 7111 1
304 . 1 1 61 61 ILE CG2 C 13 16.8 0.1 . 1 . . . . 61 ILE CG2 . 7111 1
305 . 1 1 61 61 ILE CD1 C 13 14.9 0.1 . 1 . . . . 61 ILE CD1 . 7111 1
306 . 1 1 61 61 ILE N N 15 118.0 0.1 . 1 . . . . 61 ILE N . 7111 1
307 . 1 1 62 62 GLN C C 13 176.6 0.1 . 1 . . . . 62 GLN C . 7111 1
308 . 1 1 62 62 GLN CA C 13 53.8 0.1 . 1 . . . . 62 GLN CA . 7111 1
309 . 1 1 62 62 GLN CB C 13 29.1 0.1 . 1 . . . . 62 GLN CB . 7111 1
310 . 1 1 62 62 GLN N N 15 127.9 0.1 . 1 . . . . 62 GLN N . 7111 1
311 . 1 1 63 63 LYS C C 13 173.8 0.1 . 1 . . . . 63 LYS C . 7111 1
312 . 1 1 63 63 LYS CA C 13 57.5 0.1 . 1 . . . . 63 LYS CA . 7111 1
313 . 1 1 63 63 LYS CB C 13 32.8 0.1 . 1 . . . . 63 LYS CB . 7111 1
314 . 1 1 63 63 LYS CG C 13 23.5 0.1 . 1 . . . . 63 LYS CG . 7111 1
315 . 1 1 63 63 LYS CD C 13 27.7 0.1 . 1 . . . . 63 LYS CD . 7111 1
316 . 1 1 63 63 LYS CE C 13 42.0 0.1 . 1 . . . . 63 LYS CE . 7111 1
317 . 1 1 63 63 LYS N N 15 120.3 0.2 . 1 . . . . 63 LYS N . 7111 1
318 . 1 1 64 64 GLU C C 13 174.5 0.1 . 1 . . . . 64 GLU C . 7111 1
319 . 1 1 64 64 GLU CA C 13 58.4 0.1 . 1 . . . . 64 GLU CA . 7111 1
320 . 1 1 64 64 GLU CB C 13 26.3 0.1 . 1 . . . . 64 GLU CB . 7111 1
321 . 1 1 64 64 GLU N N 15 110.6 0.1 . 1 . . . . 64 GLU N . 7111 1
322 . 1 1 65 65 SER C C 13 171.6 0.1 . 1 . . . . 65 SER C . 7111 1
323 . 1 1 65 65 SER CA C 13 60.3 0.1 . 1 . . . . 65 SER CA . 7111 1
324 . 1 1 65 65 SER CB C 13 64.4 0.1 . 1 . . . . 65 SER CB . 7111 1
325 . 1 1 65 65 SER N N 15 112.6 0.2 . 1 . . . . 65 SER N . 7111 1
326 . 1 1 66 66 THR C C 13 174.1 0.1 . 1 . . . . 66 THR C . 7111 1
327 . 1 1 66 66 THR CA C 13 61.7 0.1 . 1 . . . . 66 THR CA . 7111 1
328 . 1 1 66 66 THR CB C 13 68.4 0.2 . 1 . . . . 66 THR CB . 7111 1
329 . 1 1 66 66 THR CG2 C 13 21.5 0.3 . 1 . . . . 66 THR CG2 . 7111 1
330 . 1 1 66 66 THR N N 15 121.0 0.1 . 1 . . . . 66 THR N . 7111 1
331 . 1 1 67 67 LEU C C 13 175.6 0.1 . 1 . . . . 67 LEU C . 7111 1
332 . 1 1 67 67 LEU CA C 13 53.9 0.1 . 1 . . . . 67 LEU CA . 7111 1
333 . 1 1 67 67 LEU CB C 13 42.9 0.1 . 1 . . . . 67 LEU CB . 7111 1
334 . 1 1 67 67 LEU CG C 13 28.6 0.1 . 1 . . . . 67 LEU CG . 7111 1
335 . 1 1 67 67 LEU CD1 C 13 25.3 0.1 . 1 . . . . 67 LEU CD1 . 7111 1
336 . 1 1 67 67 LEU CD2 C 13 23.6 0.1 . 1 . . . . 67 LEU CD2 . 7111 1
337 . 1 1 67 67 LEU N N 15 124.7 0.1 . 1 . . . . 67 LEU N . 7111 1
338 . 1 1 68 68 HIS C C 13 173.5 0.1 . 1 . . . . 68 HIS C . 7111 1
339 . 1 1 68 68 HIS CA C 13 54.7 0.1 . 1 . . . . 68 HIS CA . 7111 1
340 . 1 1 68 68 HIS CB C 13 29.3 0.1 . 1 . . . . 68 HIS CB . 7111 1
341 . 1 1 68 68 HIS CG C 13 130.9 0.1 . 1 . . . . 68 HIS CG . 7111 1
342 . 1 1 68 68 HIS CD2 C 13 122.0 0.1 . 1 . . . . 68 HIS CD2 . 7111 1
343 . 1 1 68 68 HIS CE1 C 13 136.5 0.1 . 1 . . . . 68 HIS CE1 . 7111 1
344 . 1 1 68 68 HIS N N 15 118.8 0.1 . 1 . . . . 68 HIS N . 7111 1
345 . 1 1 69 69 LEU C C 13 175.3 0.1 . 1 . . . . 69 LEU C . 7111 1
346 . 1 1 69 69 LEU CA C 13 54.0 0.1 . 1 . . . . 69 LEU CA . 7111 1
347 . 1 1 69 69 LEU CB C 13 43.9 0.1 . 1 . . . . 69 LEU CB . 7111 1
348 . 1 1 69 69 LEU CG C 13 27.7 0.1 . 1 . . . . 69 LEU CG . 7111 1
349 . 1 1 69 69 LEU CD1 C 13 23.6 0.1 . 1 . . . . 69 LEU CD1 . 7111 1
350 . 1 1 69 69 LEU CD2 C 13 26.3 0.1 . 1 . . . . 69 LEU CD2 . 7111 1
351 . 1 1 69 69 LEU N N 15 125.8 0.1 . 1 . . . . 69 LEU N . 7111 1
352 . 1 1 70 70 VAL CA C 13 60.4 0.1 . 1 . . . . 70 VAL CA . 7111 1
353 . 1 1 70 70 VAL CB C 13 35.1 0.1 . 1 . . . . 70 VAL CB . 7111 1
354 . 1 1 70 70 VAL CG1 C 13 21.7 0.1 . 1 . . . . 70 VAL CG1 . 7111 1
355 . 1 1 70 70 VAL CG2 C 13 20.9 0.1 . 1 . . . . 70 VAL CG2 . 7111 1
356 . 1 1 70 70 VAL N N 15 126.9 0.1 . 1 . . . . 70 VAL N . 7111 1
stop_
save_