Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 17810
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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
;
For details of chemical shift assignment, please see:
W. Trent Franks, Donghua H. Zhou, Benjamin J. Wylie, Brian G. Money, Daniel T. Graesser, Heather L. Frericks, Gurmukh Sahota, and Chad M. Rienstra; J. Am. Chem. Soc. 2005, 127, 12291-12305.
;
_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 '3D-NCA-{13C CST}' . . . 17810 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 13 171.36 0.09 . 1 . . . A 1 MET C . 17810 1
2 . 1 1 1 1 MET CA C 13 54.33 0.08 . 1 . . . A 1 MET CA . 17810 1
3 . 1 1 1 1 MET CB C 13 32.50 0.03 . 1 . . . A 1 MET CB . 17810 1
4 . 1 1 1 1 MET CG C 13 30.25 0.07 . 1 . . . A 1 MET CG . 17810 1
5 . 1 1 1 1 MET CE C 13 15.87 0.02 . 1 . . . A 1 MET CE . 17810 1
6 . 1 1 1 1 MET N N 15 39.95 0.03 . 1 . . . A 1 MET N . 17810 1
7 . 1 1 2 2 GLN C C 13 175.08 0.10 . 1 . . . A 2 GLN C . 17810 1
8 . 1 1 2 2 GLN CA C 13 55.88 0.05 . 1 . . . A 2 GLN CA . 17810 1
9 . 1 1 2 2 GLN CB C 13 30.45 0.05 . 1 . . . A 2 GLN CB . 17810 1
10 . 1 1 2 2 GLN CG C 13 35.34 0.06 . 1 . . . A 2 GLN CG . 17810 1
11 . 1 1 2 2 GLN CD C 13 180.44 0.07 . 1 . . . A 2 GLN CD . 17810 1
12 . 1 1 2 2 GLN N N 15 125.24 0.07 . 1 . . . A 2 GLN N . 17810 1
13 . 1 1 2 2 GLN NE2 N 15 113.22 0.03 . 1 . . . A 2 GLN NE2 . 17810 1
14 . 1 1 3 3 TYR C C 13 174.98 0.08 . 1 . . . A 3 TYR C . 17810 1
15 . 1 1 3 3 TYR CA C 13 57.01 0.04 . 1 . . . A 3 TYR CA . 17810 1
16 . 1 1 3 3 TYR CB C 13 43.67 0.10 . 1 . . . A 3 TYR CB . 17810 1
17 . 1 1 3 3 TYR CG C 13 128.52 0.16 . 1 . . . A 3 TYR CG . 17810 1
18 . 1 1 3 3 TYR CD1 C 13 131.97 0.11 . 3 . . . A 3 TYR CD1 . 17810 1
19 . 1 1 3 3 TYR CD2 C 13 134.72 0.11 . 3 . . . A 3 TYR CD2 . 17810 1
20 . 1 1 3 3 TYR CE1 C 13 118.34 0.07 . 3 . . . A 3 TYR CE1 . 17810 1
21 . 1 1 3 3 TYR CE2 C 13 118.34 0.07 . 3 . . . A 3 TYR CE2 . 17810 1
22 . 1 1 3 3 TYR CZ C 13 158.33 0.19 . 1 . . . A 3 TYR CZ . 17810 1
23 . 1 1 3 3 TYR N N 15 123.34 0.08 . 1 . . . A 3 TYR N . 17810 1
24 . 1 1 4 4 LYS C C 13 173.31 0.09 . 1 . . . A 4 LYS C . 17810 1
25 . 1 1 4 4 LYS CA C 13 54.88 0.08 . 1 . . . A 4 LYS CA . 17810 1
26 . 1 1 4 4 LYS CB C 13 36.25 0.09 . 1 . . . A 4 LYS CB . 17810 1
27 . 1 1 4 4 LYS CG C 13 25.65 0.08 . 1 . . . A 4 LYS CG . 17810 1
28 . 1 1 4 4 LYS CD C 13 29.08 0.06 . 1 . . . A 4 LYS CD . 17810 1
29 . 1 1 4 4 LYS CE C 13 42.37 0.04 . 1 . . . A 4 LYS CE . 17810 1
30 . 1 1 4 4 LYS N N 15 122.67 0.06 . 1 . . . A 4 LYS N . 17810 1
31 . 1 1 4 4 LYS NZ N 15 33.14 0.10 . 1 . . . A 4 LYS NZ . 17810 1
32 . 1 1 5 5 LEU C C 13 174.80 0.07 . 1 . . . A 5 LEU C . 17810 1
33 . 1 1 5 5 LEU CA C 13 52.97 0.05 . 1 . . . A 5 LEU CA . 17810 1
34 . 1 1 5 5 LEU CB C 13 42.54 0.08 . 1 . . . A 5 LEU CB . 17810 1
35 . 1 1 5 5 LEU CG C 13 27.44 0.05 . 1 . . . A 5 LEU CG . 17810 1
36 . 1 1 5 5 LEU CD1 C 13 25.95 0.08 . 2 . . . A 5 LEU CD1 . 17810 1
37 . 1 1 5 5 LEU CD2 C 13 25.05 0.05 . 2 . . . A 5 LEU CD2 . 17810 1
38 . 1 1 5 5 LEU N N 15 126.98 0.05 . 1 . . . A 5 LEU N . 17810 1
39 . 1 1 6 6 ILE C C 13 175.31 0.08 . 1 . . . A 6 ILE C . 17810 1
40 . 1 1 6 6 ILE CA C 13 59.97 0.07 . 1 . . . A 6 ILE CA . 17810 1
41 . 1 1 6 6 ILE CB C 13 37.85 0.07 . 1 . . . A 6 ILE CB . 17810 1
42 . 1 1 6 6 ILE CG1 C 13 27.47 0.07 . 1 . . . A 6 ILE CG1 . 17810 1
43 . 1 1 6 6 ILE CG2 C 13 17.59 0.05 . 1 . . . A 6 ILE CG2 . 17810 1
44 . 1 1 6 6 ILE CD1 C 13 12.77 0.04 . 1 . . . A 6 ILE CD1 . 17810 1
45 . 1 1 6 6 ILE N N 15 126.26 0.07 . 1 . . . A 6 ILE N . 17810 1
46 . 1 1 7 7 LEU C C 13 175.12 0.04 . 1 . . . A 7 LEU C . 17810 1
47 . 1 1 7 7 LEU CA C 13 54.66 0.10 . 1 . . . A 7 LEU CA . 17810 1
48 . 1 1 7 7 LEU CB C 13 42.90 0.07 . 1 . . . A 7 LEU CB . 17810 1
49 . 1 1 7 7 LEU CG C 13 27.18 0.09 . 1 . . . A 7 LEU CG . 17810 1
50 . 1 1 7 7 LEU CD1 C 13 26.94 0.09 . 2 . . . A 7 LEU CD1 . 17810 1
51 . 1 1 7 7 LEU CD2 C 13 25.11 0.03 . 2 . . . A 7 LEU CD2 . 17810 1
52 . 1 1 7 7 LEU N N 15 127.08 0.05 . 1 . . . A 7 LEU N . 17810 1
53 . 1 1 8 8 ASN C C 13 176.43 0.05 . 1 . . . A 8 ASN C . 17810 1
54 . 1 1 8 8 ASN CA C 13 50.72 0.07 . 1 . . . A 8 ASN CA . 17810 1
55 . 1 1 8 8 ASN CB C 13 38.37 0.10 . 1 . . . A 8 ASN CB . 17810 1
56 . 1 1 8 8 ASN CG C 13 176.55 0.04 . 1 . . . A 8 ASN CG . 17810 1
57 . 1 1 8 8 ASN N N 15 125.11 0.07 . 1 . . . A 8 ASN N . 17810 1
58 . 1 1 8 8 ASN ND2 N 15 110.85 0.08 . 1 . . . A 8 ASN ND2 . 17810 1
59 . 1 1 9 9 GLY C C 13 173.22 0.08 . 1 . . . A 9 GLY C . 17810 1
60 . 1 1 9 9 GLY CA C 13 44.58 0.05 . 1 . . . A 9 GLY CA . 17810 1
61 . 1 1 9 9 GLY N N 15 109.62 0.03 . 1 . . . A 9 GLY N . 17810 1
62 . 1 1 10 10 LYS C C 13 179.17 0.07 . 1 . . . A 10 LYS C . 17810 1
63 . 1 1 10 10 LYS CA C 13 59.27 0.05 . 1 . . . A 10 LYS CA . 17810 1
64 . 1 1 10 10 LYS CB C 13 32.85 0.07 . 1 . . . A 10 LYS CB . 17810 1
65 . 1 1 10 10 LYS CG C 13 25.83 0.06 . 1 . . . A 10 LYS CG . 17810 1
66 . 1 1 10 10 LYS CD C 13 29.15 0.09 . 1 . . . A 10 LYS CD . 17810 1
67 . 1 1 10 10 LYS CE C 13 42.07 0.07 . 1 . . . A 10 LYS CE . 17810 1
68 . 1 1 10 10 LYS N N 15 121.07 0.08 . 1 . . . A 10 LYS N . 17810 1
69 . 1 1 10 10 LYS NZ N 15 33.13 0.06 . 1 . . . A 10 LYS NZ . 17810 1
70 . 1 1 11 11 THR C C 13 173.42 0.09 . 1 . . . A 11 THR C . 17810 1
71 . 1 1 11 11 THR CA C 13 61.91 0.05 . 1 . . . A 11 THR CA . 17810 1
72 . 1 1 11 11 THR CB C 13 69.49 0.05 . 1 . . . A 11 THR CB . 17810 1
73 . 1 1 11 11 THR CG2 C 13 22.63 0.07 . 1 . . . A 11 THR CG2 . 17810 1
74 . 1 1 11 11 THR N N 15 106.40 0.05 . 1 . . . A 11 THR N . 17810 1
75 . 1 1 12 12 LEU C C 13 173.85 0.07 . 1 . . . A 12 LEU C . 17810 1
76 . 1 1 12 12 LEU CA C 13 54.43 0.07 . 1 . . . A 12 LEU CA . 17810 1
77 . 1 1 12 12 LEU CB C 13 43.07 0.07 . 1 . . . A 12 LEU CB . 17810 1
78 . 1 1 12 12 LEU CG C 13 27.93 0.08 . 1 . . . A 12 LEU CG . 17810 1
79 . 1 1 12 12 LEU CD1 C 13 26.09 0.07 . 2 . . . A 12 LEU CD1 . 17810 1
80 . 1 1 12 12 LEU CD2 C 13 23.01 0.05 . 2 . . . A 12 LEU CD2 . 17810 1
81 . 1 1 12 12 LEU N N 15 127.76 0.06 . 1 . . . A 12 LEU N . 17810 1
82 . 1 1 13 13 LYS C C 13 175.83 0.06 . 1 . . . A 13 LYS C . 17810 1
83 . 1 1 13 13 LYS CA C 13 53.34 0.06 . 1 . . . A 13 LYS CA . 17810 1
84 . 1 1 13 13 LYS CB C 13 38.83 0.09 . 1 . . . A 13 LYS CB . 17810 1
85 . 1 1 13 13 LYS CG C 13 26.12 0.08 . 1 . . . A 13 LYS CG . 17810 1
86 . 1 1 13 13 LYS CD C 13 29.76 0.02 . 1 . . . A 13 LYS CD . 17810 1
87 . 1 1 13 13 LYS CE C 13 43.00 0.10 . 1 . . . A 13 LYS CE . 17810 1
88 . 1 1 13 13 LYS N N 15 123.25 0.06 . 1 . . . A 13 LYS N . 17810 1
89 . 1 1 13 13 LYS NZ N 15 31.33 0.10 . 1 . . . A 13 LYS NZ . 17810 1
90 . 1 1 14 14 GLY C C 13 171.37 0.10 . 1 . . . A 14 GLY C . 17810 1
91 . 1 1 14 14 GLY CA C 13 44.89 0.08 . 1 . . . A 14 GLY CA . 17810 1
92 . 1 1 14 14 GLY N N 15 105.61 0.07 . 1 . . . A 14 GLY N . 17810 1
93 . 1 1 15 15 GLU C C 13 174.11 0.09 . 1 . . . A 15 GLU C . 17810 1
94 . 1 1 15 15 GLU CA C 13 53.89 0.06 . 1 . . . A 15 GLU CA . 17810 1
95 . 1 1 15 15 GLU CB C 13 34.16 0.08 . 1 . . . A 15 GLU CB . 17810 1
96 . 1 1 15 15 GLU CG C 13 35.14 0.10 . 1 . . . A 15 GLU CG . 17810 1
97 . 1 1 15 15 GLU CD C 13 181.88 0.10 . 1 . . . A 15 GLU CD . 17810 1
98 . 1 1 15 15 GLU N N 15 121.07 0.05 . 1 . . . A 15 GLU N . 17810 1
99 . 1 1 16 16 THR C C 13 172.04 0.09 . 1 . . . A 16 THR C . 17810 1
100 . 1 1 16 16 THR CA C 13 60.12 0.06 . 1 . . . A 16 THR CA . 17810 1
101 . 1 1 16 16 THR CB C 13 70.51 0.06 . 1 . . . A 16 THR CB . 17810 1
102 . 1 1 16 16 THR CG2 C 13 20.07 0.08 . 1 . . . A 16 THR CG2 . 17810 1
103 . 1 1 16 16 THR N N 15 115.18 0.08 . 1 . . . A 16 THR N . 17810 1
104 . 1 1 17 17 THR C C 13 174.25 0.07 . 1 . . . A 17 THR C . 17810 1
105 . 1 1 17 17 THR CA C 13 60.32 0.10 . 1 . . . A 17 THR CA . 17810 1
106 . 1 1 17 17 THR CB C 13 72.64 0.07 . 1 . . . A 17 THR CB . 17810 1
107 . 1 1 17 17 THR CG2 C 13 21.79 0.10 . 1 . . . A 17 THR CG2 . 17810 1
108 . 1 1 17 17 THR N N 15 116.05 0.07 . 1 . . . A 17 THR N . 17810 1
109 . 1 1 18 18 THR C C 13 171.27 0.06 . 1 . . . A 18 THR C . 17810 1
110 . 1 1 18 18 THR CA C 13 61.31 0.08 . 1 . . . A 18 THR CA . 17810 1
111 . 1 1 18 18 THR CB C 13 70.84 0.04 . 1 . . . A 18 THR CB . 17810 1
112 . 1 1 18 18 THR CG2 C 13 18.91 0.08 . 1 . . . A 18 THR CG2 . 17810 1
113 . 1 1 18 18 THR N N 15 116.26 0.08 . 1 . . . A 18 THR N . 17810 1
114 . 1 1 19 19 GLU C C 13 175.90 0.08 . 1 . . . A 19 GLU C . 17810 1
115 . 1 1 19 19 GLU CA C 13 54.33 0.08 . 1 . . . A 19 GLU CA . 17810 1
116 . 1 1 19 19 GLU CB C 13 30.56 0.10 . 1 . . . A 19 GLU CB . 17810 1
117 . 1 1 19 19 GLU CG C 13 35.75 0.06 . 1 . . . A 19 GLU CG . 17810 1
118 . 1 1 19 19 GLU CD C 13 182.18 0.08 . 1 . . . A 19 GLU CD . 17810 1
119 . 1 1 19 19 GLU N N 15 125.35 0.10 . 1 . . . A 19 GLU N . 17810 1
120 . 1 1 20 20 ALA C C 13 177.79 0.09 . 1 . . . A 20 ALA C . 17810 1
121 . 1 1 20 20 ALA CA C 13 50.69 0.04 . 1 . . . A 20 ALA CA . 17810 1
122 . 1 1 20 20 ALA CB C 13 23.67 0.04 . 1 . . . A 20 ALA CB . 17810 1
123 . 1 1 20 20 ALA N N 15 125.88 0.04 . 1 . . . A 20 ALA N . 17810 1
124 . 1 1 21 21 VAL C C 13 175.10 0.10 . 1 . . . A 21 VAL C . 17810 1
125 . 1 1 21 21 VAL CA C 13 63.47 0.10 . 1 . . . A 21 VAL CA . 17810 1
126 . 1 1 21 21 VAL CB C 13 31.96 0.10 . 1 . . . A 21 VAL CB . 17810 1
127 . 1 1 21 21 VAL CG1 C 13 20.20 0.10 . 2 . . . A 21 VAL CG1 . 17810 1
128 . 1 1 21 21 VAL CG2 C 13 21.22 0.10 . 2 . . . A 21 VAL CG2 . 17810 1
129 . 1 1 21 21 VAL N N 15 116.28 0.09 . 1 . . . A 21 VAL N . 17810 1
130 . 1 1 22 22 ASP C C 13 175.08 0.09 . 1 . . . A 22 ASP C . 17810 1
131 . 1 1 22 22 ASP CA C 13 52.53 0.07 . 1 . . . A 22 ASP CA . 17810 1
132 . 1 1 22 22 ASP CB C 13 42.30 0.09 . 1 . . . A 22 ASP CB . 17810 1
133 . 1 1 22 22 ASP CG C 13 179.88 0.04 . 1 . . . A 22 ASP CG . 17810 1
134 . 1 1 22 22 ASP N N 15 115.52 0.07 . 1 . . . A 22 ASP N . 17810 1
135 . 1 1 23 23 ALA C C 13 179.73 0.04 . 1 . . . A 23 ALA C . 17810 1
136 . 1 1 23 23 ALA CA C 13 54.55 0.07 . 1 . . . A 23 ALA CA . 17810 1
137 . 1 1 23 23 ALA CB C 13 18.20 0.04 . 1 . . . A 23 ALA CB . 17810 1
138 . 1 1 23 23 ALA N N 15 122.82 0.05 . 1 . . . A 23 ALA N . 17810 1
139 . 1 1 24 24 ALA C C 13 181.53 0.09 . 1 . . . A 24 ALA C . 17810 1
140 . 1 1 24 24 ALA CA C 13 54.54 0.07 . 1 . . . A 24 ALA CA . 17810 1
141 . 1 1 24 24 ALA CB C 13 18.20 0.07 . 1 . . . A 24 ALA CB . 17810 1
142 . 1 1 24 24 ALA N N 15 120.75 0.04 . 1 . . . A 24 ALA N . 17810 1
143 . 1 1 25 25 THR C C 13 175.92 0.06 . 1 . . . A 25 THR C . 17810 1
144 . 1 1 25 25 THR CA C 13 67.23 0.12 . 1 . . . A 25 THR CA . 17810 1
145 . 1 1 25 25 THR CB C 13 67.82 0.11 . 1 . . . A 25 THR CB . 17810 1
146 . 1 1 25 25 THR CG2 C 13 21.38 0.08 . 1 . . . A 25 THR CG2 . 17810 1
147 . 1 1 25 25 THR N N 15 117.37 0.07 . 1 . . . A 25 THR N . 17810 1
148 . 1 1 26 26 ALA C C 13 177.28 0.07 . 1 . . . A 26 ALA C . 17810 1
149 . 1 1 26 26 ALA CA C 13 55.02 0.09 . 1 . . . A 26 ALA CA . 17810 1
150 . 1 1 26 26 ALA CB C 13 17.55 0.09 . 1 . . . A 26 ALA CB . 17810 1
151 . 1 1 26 26 ALA N N 15 123.99 0.08 . 1 . . . A 26 ALA N . 17810 1
152 . 1 1 27 27 GLU C C 13 177.82 0.07 . 1 . . . A 27 GLU C . 17810 1
153 . 1 1 27 27 GLU CA C 13 59.09 0.05 . 1 . . . A 27 GLU CA . 17810 1
154 . 1 1 27 27 GLU CB C 13 29.06 0.08 . 1 . . . A 27 GLU CB . 17810 1
155 . 1 1 27 27 GLU CG C 13 35.54 0.07 . 1 . . . A 27 GLU CG . 17810 1
156 . 1 1 27 27 GLU CD C 13 181.73 0.08 . 1 . . . A 27 GLU CD . 17810 1
157 . 1 1 27 27 GLU N N 15 116.35 0.04 . 1 . . . A 27 GLU N . 17810 1
158 . 1 1 28 28 LYS C C 13 179.24 0.04 . 1 . . . A 28 LYS C . 17810 1
159 . 1 1 28 28 LYS CA C 13 60.19 0.05 . 1 . . . A 28 LYS CA . 17810 1
160 . 1 1 28 28 LYS CB C 13 32.79 0.05 . 1 . . . A 28 LYS CB . 17810 1
161 . 1 1 28 28 LYS CG C 13 26.47 0.08 . 1 . . . A 28 LYS CG . 17810 1
162 . 1 1 28 28 LYS CD C 13 30.07 0.07 . 1 . . . A 28 LYS CD . 17810 1
163 . 1 1 28 28 LYS CE C 13 42.282 0.03 . 1 . . . A 28 LYS CE . 17810 1
164 . 1 1 28 28 LYS N N 15 117.38 0.06 . 1 . . . A 28 LYS N . 17810 1
165 . 1 1 28 28 LYS NZ N 15 32.57 0.10 . 1 . . . A 28 LYS NZ . 17810 1
166 . 1 1 29 29 VAL C C 13 178.98 0.09 . 1 . . . A 29 VAL C . 17810 1
167 . 1 1 29 29 VAL CA C 13 66.31 0.08 . 1 . . . A 29 VAL CA . 17810 1
168 . 1 1 29 29 VAL CB C 13 31.92 0.07 . 1 . . . A 29 VAL CB . 17810 1
169 . 1 1 29 29 VAL CG1 C 13 22.19 0.06 . 2 . . . A 29 VAL CG1 . 17810 1
170 . 1 1 29 29 VAL CG2 C 13 20.99 0.04 . 2 . . . A 29 VAL CG2 . 17810 1
171 . 1 1 29 29 VAL N N 15 119.34 0.05 . 1 . . . A 29 VAL N . 17810 1
172 . 1 1 30 30 PHE C C 13 179.09 0.20 . 1 . . . A 30 PHE C . 17810 1
173 . 1 1 30 30 PHE CA C 13 57.54 0.06 . 1 . . . A 30 PHE CA . 17810 1
174 . 1 1 30 30 PHE CB C 13 37.49 0.07 . 1 . . . A 30 PHE CB . 17810 1
175 . 1 1 30 30 PHE CG C 13 138.38 0.20 . 1 . . . A 30 PHE CG . 17810 1
176 . 1 1 30 30 PHE CD1 C 13 132.33 0.23 . 3 . . . A 30 PHE CD1 . 17810 1
177 . 1 1 30 30 PHE CD2 C 13 132.33 0.23 . 3 . . . A 30 PHE CD2 . 17810 1
178 . 1 1 30 30 PHE CE1 C 13 130.90 0.35 . 3 . . . A 30 PHE CE1 . 17810 1
179 . 1 1 30 30 PHE CE2 C 13 130.90 0.35 . 3 . . . A 30 PHE CE2 . 17810 1
180 . 1 1 30 30 PHE CZ C 13 130.90 0.35 . 1 . . . A 30 PHE CZ . 17810 1
181 . 1 1 30 30 PHE N N 15 118.68 0.07 . 1 . . . A 30 PHE N . 17810 1
182 . 1 1 31 31 LYS C C 13 179.57 0.09 . 1 . . . A 31 LYS C . 17810 1
183 . 1 1 31 31 LYS CA C 13 60.11 0.07 . 1 . . . A 31 LYS CA . 17810 1
184 . 1 1 31 31 LYS CB C 13 31.61 0.08 . 1 . . . A 31 LYS CB . 17810 1
185 . 1 1 31 31 LYS CG C 13 27.25 0.08 . 1 . . . A 31 LYS CG . 17810 1
186 . 1 1 31 31 LYS CD C 13 29.30 0.06 . 1 . . . A 31 LYS CD . 17810 1
187 . 1 1 31 31 LYS CE C 13 41.24 0.10 . 1 . . . A 31 LYS CE . 17810 1
188 . 1 1 31 31 LYS N N 15 120.76 0.05 . 1 . . . A 31 LYS N . 17810 1
189 . 1 1 31 31 LYS NZ N 15 32.20 0.08 . 1 . . . A 31 LYS NZ . 17810 1
190 . 1 1 32 32 GLN C C 13 177.58 0.08 . 1 . . . A 32 GLN C . 17810 1
191 . 1 1 32 32 GLN CA C 13 58.92 0.06 . 1 . . . A 32 GLN CA . 17810 1
192 . 1 1 32 32 GLN CB C 13 28.97 0.06 . 1 . . . A 32 GLN CB . 17810 1
193 . 1 1 32 32 GLN CG C 13 34.18 0.09 . 1 . . . A 32 GLN CG . 17810 1
194 . 1 1 32 32 GLN CD C 13 180.04 0.05 . 1 . . . A 32 GLN CD . 17810 1
195 . 1 1 32 32 GLN N N 15 121.29 0.03 . 1 . . . A 32 GLN N . 17810 1
196 . 1 1 32 32 GLN NE2 N 15 115.61 0.06 . 1 . . . A 32 GLN NE2 . 17810 1
197 . 1 1 33 33 TYR C C 13 178.82 0.07 . 1 . . . A 33 TYR C . 17810 1
198 . 1 1 33 33 TYR CA C 13 61.59 0.04 . 1 . . . A 33 TYR CA . 17810 1
199 . 1 1 33 33 TYR CB C 13 36.98 0.19 . 1 . . . A 33 TYR CB . 17810 1
200 . 1 1 33 33 TYR CG C 13 129.82 0.13 . 1 . . . A 33 TYR CG . 17810 1
201 . 1 1 33 33 TYR CD1 C 13 132.53 0.10 . 3 . . . A 33 TYR CD1 . 17810 1
202 . 1 1 33 33 TYR CD2 C 13 132.53 0.10 . 3 . . . A 33 TYR CD2 . 17810 1
203 . 1 1 33 33 TYR CE1 C 13 118.69 0.19 . 3 . . . A 33 TYR CE1 . 17810 1
204 . 1 1 33 33 TYR CE2 C 13 118.69 0.19 . 3 . . . A 33 TYR CE2 . 17810 1
205 . 1 1 33 33 TYR CZ C 13 159.36 0.09 . 1 . . . A 33 TYR CZ . 17810 1
206 . 1 1 33 33 TYR N N 15 120.99 0.04 . 1 . . . A 33 TYR N . 17810 1
207 . 1 1 34 34 ALA C C 13 179.62 0.08 . 1 . . . A 34 ALA C . 17810 1
208 . 1 1 34 34 ALA CA C 13 56.07 0.05 . 1 . . . A 34 ALA CA . 17810 1
209 . 1 1 34 34 ALA CB C 13 18.10 0.05 . 1 . . . A 34 ALA CB . 17810 1
210 . 1 1 34 34 ALA N N 15 122.68 0.04 . 1 . . . A 34 ALA N . 17810 1
211 . 1 1 35 35 ASN C C 13 179.56 0.10 . 1 . . . A 35 ASN C . 17810 1
212 . 1 1 35 35 ASN CA C 13 57.04 0.09 . 1 . . . A 35 ASN CA . 17810 1
213 . 1 1 35 35 ASN CB C 13 39.25 0.09 . 1 . . . A 35 ASN CB . 17810 1
214 . 1 1 35 35 ASN CG C 13 176.11 0.07 . 1 . . . A 35 ASN CG . 17810 1
215 . 1 1 35 35 ASN N N 15 118.20 0.06 . 1 . . . A 35 ASN N . 17810 1
216 . 1 1 35 35 ASN ND2 N 15 113.20 0.08 . 1 . . . A 35 ASN ND2 . 17810 1
217 . 1 1 36 36 ASP C C 13 176.18 0.04 . 1 . . . A 36 ASP C . 17810 1
218 . 1 1 36 36 ASP CA C 13 55.91 0.06 . 1 . . . A 36 ASP CA . 17810 1
219 . 1 1 36 36 ASP CB C 13 38.31 0.06 . 1 . . . A 36 ASP CB . 17810 1
220 . 1 1 36 36 ASP CG C 13 177.80 0.10 . 1 . . . A 36 ASP CG . 17810 1
221 . 1 1 36 36 ASP N N 15 121.08 0.05 . 1 . . . A 36 ASP N . 17810 1
222 . 1 1 37 37 ASN C C 13 174.28 0.08 . 1 . . . A 37 ASN C . 17810 1
223 . 1 1 37 37 ASN CA C 13 53.51 0.05 . 1 . . . A 37 ASN CA . 17810 1
224 . 1 1 37 37 ASN CB C 13 40.35 0.08 . 1 . . . A 37 ASN CB . 17810 1
225 . 1 1 37 37 ASN CG C 13 176.88 0.08 . 1 . . . A 37 ASN CG . 17810 1
226 . 1 1 37 37 ASN N N 15 115.04 0.07 . 1 . . . A 37 ASN N . 17810 1
227 . 1 1 37 37 ASN ND2 N 15 114.59 0.08 . 1 . . . A 37 ASN ND2 . 17810 1
228 . 1 1 38 38 GLY C C 13 174.03 0.08 . 1 . . . A 38 GLY C . 17810 1
229 . 1 1 38 38 GLY CA C 13 46.80 0.07 . 1 . . . A 38 GLY CA . 17810 1
230 . 1 1 38 38 GLY N N 15 108.35 0.05 . 1 . . . A 38 GLY N . 17810 1
231 . 1 1 39 39 VAL C C 13 175.20 0.10 . 1 . . . A 39 VAL C . 17810 1
232 . 1 1 39 39 VAL CA C 13 61.72 0.07 . 1 . . . A 39 VAL CA . 17810 1
233 . 1 1 39 39 VAL CB C 13 31.94 0.07 . 1 . . . A 39 VAL CB . 17810 1
234 . 1 1 39 39 VAL CG1 C 13 21.94 0.04 . 1 . . . A 39 VAL CG1 . 17810 1
235 . 1 1 39 39 VAL CG2 C 13 18.20 0.04 . 1 . . . A 39 VAL CG2 . 17810 1
236 . 1 1 39 39 VAL N N 15 121.79 0.05 . 1 . . . A 39 VAL N . 17810 1
237 . 1 1 40 40 ASP C C 13 174.89 0.08 . 1 . . . A 40 ASP C . 17810 1
238 . 1 1 40 40 ASP CA C 13 52.77 0.05 . 1 . . . A 40 ASP CA . 17810 1
239 . 1 1 40 40 ASP CB C 13 41.71 0.06 . 1 . . . A 40 ASP CB . 17810 1
240 . 1 1 40 40 ASP CG C 13 180.73 0.10 . 1 . . . A 40 ASP CG . 17810 1
241 . 1 1 40 40 ASP N N 15 131.05 0.04 . 1 . . . A 40 ASP N . 17810 1
242 . 1 1 41 41 GLY C C 13 172.81 0.08 . 1 . . . A 41 GLY C . 17810 1
243 . 1 1 41 41 GLY CA C 13 45.10 0.08 . 1 . . . A 41 GLY CA . 17810 1
244 . 1 1 41 41 GLY N N 15 108.10 0.03 . 1 . . . A 41 GLY N . 17810 1
245 . 1 1 42 42 GLU C C 13 177.94 0.08 . 1 . . . A 42 GLU C . 17810 1
246 . 1 1 42 42 GLU CA C 13 55.10 0.09 . 1 . . . A 42 GLU CA . 17810 1
247 . 1 1 42 42 GLU CB C 13 31.48 0.09 . 1 . . . A 42 GLU CB . 17810 1
248 . 1 1 42 42 GLU CG C 13 35.68 0.13 . 1 . . . A 42 GLU CG . 17810 1
249 . 1 1 42 42 GLU CD C 13 181.82 0.07 . 1 . . . A 42 GLU CD . 17810 1
250 . 1 1 42 42 GLU N N 15 119.02 0.05 . 1 . . . A 42 GLU N . 17810 1
251 . 1 1 43 43 TRP C C 13 177.42 0.08 . 1 . . . A 43 TRP C . 17810 1
252 . 1 1 43 43 TRP CA C 13 57.46 0.06 . 1 . . . A 43 TRP CA . 17810 1
253 . 1 1 43 43 TRP CB C 13 33.81 0.08 . 1 . . . A 43 TRP CB . 17810 1
254 . 1 1 43 43 TRP CG C 13 111.78 0.07 . 1 . . . A 43 TRP CG . 17810 1
255 . 1 1 43 43 TRP CD1 C 13 127.17 0.08 . 1 . . . A 43 TRP CD1 . 17810 1
256 . 1 1 43 43 TRP CD2 C 13 129.71 0.05 . 1 . . . A 43 TRP CD2 . 17810 1
257 . 1 1 43 43 TRP CE2 C 13 138.49 0.05 . 1 . . . A 43 TRP CE2 . 17810 1
258 . 1 1 43 43 TRP CE3 C 13 119.87 0.09 . 1 . . . A 43 TRP CE3 . 17810 1
259 . 1 1 43 43 TRP CZ2 C 13 114.71 0.09 . 1 . . . A 43 TRP CZ2 . 17810 1
260 . 1 1 43 43 TRP CZ3 C 13 120.63 0.06 . 1 . . . A 43 TRP CZ3 . 17810 1
261 . 1 1 43 43 TRP CH2 C 13 123.17 0.06 . 1 . . . A 43 TRP CH2 . 17810 1
262 . 1 1 43 43 TRP N N 15 124.95 0.06 . 1 . . . A 43 TRP N . 17810 1
263 . 1 1 43 43 TRP NE1 N 15 131.65 0.12 . 1 . . . A 43 TRP NE1 . 17810 1
264 . 1 1 44 44 THR C C 13 174.03 0.06 . 1 . . . A 44 THR C . 17810 1
265 . 1 1 44 44 THR CA C 13 60.94 0.10 . 1 . . . A 44 THR CA . 17810 1
266 . 1 1 44 44 THR CB C 13 73.09 0.06 . 1 . . . A 44 THR CB . 17810 1
267 . 1 1 44 44 THR CG2 C 13 21.12 0.10 . 1 . . . A 44 THR CG2 . 17810 1
268 . 1 1 44 44 THR N N 15 109.21 0.08 . 1 . . . A 44 THR N . 17810 1
269 . 1 1 45 45 TYR C C 13 171.91 0.09 . 1 . . . A 45 TYR C . 17810 1
270 . 1 1 45 45 TYR CA C 13 57.84 0.06 . 1 . . . A 45 TYR CA . 17810 1
271 . 1 1 45 45 TYR CB C 13 42.62 0.05 . 1 . . . A 45 TYR CB . 17810 1
272 . 1 1 45 45 TYR CG C 13 127.79 0.06 . 1 . . . A 45 TYR CG . 17810 1
273 . 1 1 45 45 TYR CD1 C 13 132.51 0.06 . 3 . . . A 45 TYR CD1 . 17810 1
274 . 1 1 45 45 TYR CD2 C 13 132.19 0.16 . 3 . . . A 45 TYR CD2 . 17810 1
275 . 1 1 45 45 TYR CE1 C 13 118.79 0.08 . 3 . . . A 45 TYR CE1 . 17810 1
276 . 1 1 45 45 TYR CE2 C 13 116.22 0.06 . 3 . . . A 45 TYR CE2 . 17810 1
277 . 1 1 45 45 TYR CZ C 13 157.53 0.10 . 1 . . . A 45 TYR CZ . 17810 1
278 . 1 1 45 45 TYR N N 15 118.61 0.08 . 1 . . . A 45 TYR N . 17810 1
279 . 1 1 46 46 ASP C C 13 176.30 0.06 . 1 . . . A 46 ASP C . 17810 1
280 . 1 1 46 46 ASP CA C 13 50.89 0.05 . 1 . . . A 46 ASP CA . 17810 1
281 . 1 1 46 46 ASP CB C 13 42.60 0.07 . 1 . . . A 46 ASP CB . 17810 1
282 . 1 1 46 46 ASP CG C 13 180.17 0.08 . 1 . . . A 46 ASP CG . 17810 1
283 . 1 1 46 46 ASP N N 15 126.34 0.06 . 1 . . . A 46 ASP N . 17810 1
284 . 1 1 47 47 ASP C C 13 177.51 0.09 . 1 . . . A 47 ASP C . 17810 1
285 . 1 1 47 47 ASP CA C 13 54.64 0.07 . 1 . . . A 47 ASP CA . 17810 1
286 . 1 1 47 47 ASP CB C 13 43.00 0.08 . 1 . . . A 47 ASP CB . 17810 1
287 . 1 1 47 47 ASP CG C 13 179.84 0.07 . 1 . . . A 47 ASP CG . 17810 1
288 . 1 1 47 47 ASP N N 15 123.39 0.03 . 1 . . . A 47 ASP N . 17810 1
289 . 1 1 48 48 ALA C C 13 179.70 0.05 . 1 . . . A 48 ALA C . 17810 1
290 . 1 1 48 48 ALA CA C 13 53.99 0.04 . 1 . . . A 48 ALA CA . 17810 1
291 . 1 1 48 48 ALA CB C 13 19.00 0.04 . 1 . . . A 48 ALA CB . 17810 1
292 . 1 1 48 48 ALA N N 15 118.98 0.06 . 1 . . . A 48 ALA N . 17810 1
293 . 1 1 49 49 THR C C 13 175.84 0.09 . 1 . . . A 49 THR C . 17810 1
294 . 1 1 49 49 THR CA C 13 60.27 0.08 . 1 . . . A 49 THR CA . 17810 1
295 . 1 1 49 49 THR CB C 13 69.90 0.06 . 1 . . . A 49 THR CB . 17810 1
296 . 1 1 49 49 THR CG2 C 13 21.57 0.05 . 1 . . . A 49 THR CG2 . 17810 1
297 . 1 1 49 49 THR N N 15 104.23 0.03 . 1 . . . A 49 THR N . 17810 1
298 . 1 1 50 50 LYS C C 13 175.47 0.10 . 1 . . . A 50 LYS C . 17810 1
299 . 1 1 50 50 LYS CA C 13 55.59 0.08 . 1 . . . A 50 LYS CA . 17810 1
300 . 1 1 50 50 LYS CB C 13 28.03 0.08 . 1 . . . A 50 LYS CB . 17810 1
301 . 1 1 50 50 LYS CG C 13 24.39 0.11 . 1 . . . A 50 LYS CG . 17810 1
302 . 1 1 50 50 LYS CD C 13 28.29 0.20 . 1 . . . A 50 LYS CD . 17810 1
303 . 1 1 50 50 LYS CE C 13 43.33 0.09 . 1 . . . A 50 LYS CE . 17810 1
304 . 1 1 50 50 LYS N N 15 119.71 0.06 . 1 . . . A 50 LYS N . 17810 1
305 . 1 1 50 50 LYS NZ N 15 33.86 0.03 . 1 . . . A 50 LYS NZ . 17810 1
306 . 1 1 51 51 THR C C 13 174.44 0.07 . 1 . . . A 51 THR C . 17810 1
307 . 1 1 51 51 THR CA C 13 62.47 0.08 . 1 . . . A 51 THR CA . 17810 1
308 . 1 1 51 51 THR CB C 13 71.71 0.08 . 1 . . . A 51 THR CB . 17810 1
309 . 1 1 51 51 THR CG2 C 13 21.29 0.08 . 1 . . . A 51 THR CG2 . 17810 1
310 . 1 1 51 51 THR N N 15 112.00 0.04 . 1 . . . A 51 THR N . 17810 1
311 . 1 1 52 52 PHE C C 13 175.81 0.10 . 1 . . . A 52 PHE C . 17810 1
312 . 1 1 52 52 PHE CA C 13 56.58 0.08 . 1 . . . A 52 PHE CA . 17810 1
313 . 1 1 52 52 PHE CB C 13 43.06 0.17 . 1 . . . A 52 PHE CB . 17810 1
314 . 1 1 52 52 PHE CG C 13 140.02 0.17 . 1 . . . A 52 PHE CG . 17810 1
315 . 1 1 52 52 PHE CD1 C 13 131.62 0.30 . 3 . . . A 52 PHE CD1 . 17810 1
316 . 1 1 52 52 PHE CD2 C 13 131.62 0.30 . 3 . . . A 52 PHE CD2 . 17810 1
317 . 1 1 52 52 PHE CE1 C 13 130.46 0.30 . 3 . . . A 52 PHE CE1 . 17810 1
318 . 1 1 52 52 PHE CE2 C 13 130.46 0.30 . 3 . . . A 52 PHE CE2 . 17810 1
319 . 1 1 52 52 PHE CZ C 13 130.46 0.30 . 1 . . . A 52 PHE CZ . 17810 1
320 . 1 1 52 52 PHE N N 15 130.28 0.04 . 1 . . . A 52 PHE N . 17810 1
321 . 1 1 53 53 THR C C 13 172.25 0.06 . 1 . . . A 53 THR C . 17810 1
322 . 1 1 53 53 THR CA C 13 60.39 0.07 . 1 . . . A 53 THR CA . 17810 1
323 . 1 1 53 53 THR CB C 13 71.89 0.10 . 1 . . . A 53 THR CB . 17810 1
324 . 1 1 53 53 THR CG2 C 13 21.10 0.10 . 1 . . . A 53 THR CG2 . 17810 1
325 . 1 1 53 53 THR N N 15 112.21 0.06 . 1 . . . A 53 THR N . 17810 1
326 . 1 1 54 54 VAL C C 13 172.62 0.04 . 1 . . . A 54 VAL C . 17810 1
327 . 1 1 54 54 VAL CA C 13 58.48 0.07 . 1 . . . A 54 VAL CA . 17810 1
328 . 1 1 54 54 VAL CB C 13 32.72 0.08 . 1 . . . A 54 VAL CB . 17810 1
329 . 1 1 54 54 VAL CG1 C 13 21.86 0.10 . 2 . . . A 54 VAL CG1 . 17810 1
330 . 1 1 54 54 VAL CG2 C 13 19.75 0.06 . 2 . . . A 54 VAL CG2 . 17810 1
331 . 1 1 54 54 VAL N N 15 118.43 0.09 . 1 . . . A 54 VAL N . 17810 1
332 . 1 1 55 55 THR C C 13 174.17 0.05 . 1 . . . A 55 THR C . 17810 1
333 . 1 1 55 55 THR CA C 13 61.32 0.09 . 1 . . . A 55 THR CA . 17810 1
334 . 1 1 55 55 THR CB C 13 72.09 0.05 . 1 . . . A 55 THR CB . 17810 1
335 . 1 1 55 55 THR CG2 C 13 21.51 0.05 . 1 . . . A 55 THR CG2 . 17810 1
336 . 1 1 55 55 THR N N 15 124.10 0.05 . 1 . . . A 55 THR N . 17810 1
337 . 1 1 56 56 GLU C C 13 180.50 0.08 . 1 . . . A 56 GLU C . 17810 1
338 . 1 1 56 56 GLU CA C 13 57.56 0.04 . 1 . . . A 56 GLU CA . 17810 1
339 . 1 1 56 56 GLU CB C 13 33.31 0.06 . 1 . . . A 56 GLU CB . 17810 1
340 . 1 1 56 56 GLU CG C 13 38.81 0.06 . 1 . . . A 56 GLU CG . 17810 1
341 . 1 1 56 56 GLU CD C 13 183.20 0.09 . 1 . . . A 56 GLU CD . 17810 1
342 . 1 1 56 56 GLU N N 15 131.08 0.08 . 1 . . . A 56 GLU N . 17810 1
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