Content for NMR-STAR saveframe, "GB1_formulation_D_chemical_shifts"
save_GB1_formulation_D_chemical_shifts
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode GB1_formulation_D_chemical_shifts
_Assigned_chem_shift_list.Entry_ID 15380
_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 .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D N(CA)CX' 1 $formulation_D . 15380 1
2 '2D N(CO)CX' 1 $formulation_D . 15380 1
3 '3D NCACX' 1 $formulation_D . 15380 1
4 '3D NCOCX' 1 $formulation_D . 15380 1
5 '2D CC DARR mixing' 1 $formulation_D . 15380 1
6 '2D CC SPC5 mixing' 1 $formulation_D . 15380 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 . . 15380 1
2 $NMRPipe . . 15380 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 13 171.38 0.06 . 1 . . . . 1 M C . 15380 1
2 . 1 1 1 1 MET CA C 13 54.27 0.07 . 1 . . . . 1 M CA . 15380 1
3 . 1 1 1 1 MET CB C 13 32.45 0.07 . 1 . . . . 1 M CB . 15380 1
4 . 1 1 1 1 MET CE C 13 15.86 0.02 . 1 . . . . 1 M CE . 15380 1
5 . 1 1 1 1 MET CG C 13 30.17 0.09 . 1 . . . . 1 M CG . 15380 1
6 . 1 1 1 1 MET N N 15 40.04 0.06 . 1 . . . . 1 M N . 15380 1
7 . 1 1 2 2 GLN C C 13 174.95 0.03 . 1 . . . . 2 Q C . 15380 1
8 . 1 1 2 2 GLN CA C 13 55.80 0.05 . 1 . . . . 2 Q CA . 15380 1
9 . 1 1 2 2 GLN CB C 13 30.43 0.05 . 1 . . . . 2 Q CB . 15380 1
10 . 1 1 2 2 GLN CD C 13 180.29 0.05 . 1 . . . . 2 Q CD . 15380 1
11 . 1 1 2 2 GLN CG C 13 35.29 0.07 . 1 . . . . 2 Q CG . 15380 1
12 . 1 1 2 2 GLN N N 15 125.29 0.07 . 1 . . . . 2 Q N . 15380 1
13 . 1 1 2 2 GLN NE2 N 15 113.27 0.01 . 1 . . . . 2 Q NE2 . 15380 1
14 . 1 1 3 3 TYR C C 13 174.90 0.06 . 1 . . . . 3 Y C . 15380 1
15 . 1 1 3 3 TYR CA C 13 56.89 0.11 . 1 . . . . 3 Y CA . 15380 1
16 . 1 1 3 3 TYR CB C 13 43.46 0.10 . 1 . . . . 3 Y CB . 15380 1
17 . 1 1 3 3 TYR CZ C 13 158.03 0.13 . 1 . . . . 3 Y CZ . 15380 1
18 . 1 1 3 3 TYR N N 15 123.23 0.04 . 1 . . . . 3 Y N . 15380 1
19 . 1 1 4 4 LYS C C 13 173.23 0.05 . 1 . . . . 4 K C . 15380 1
20 . 1 1 4 4 LYS CA C 13 54.81 0.05 . 1 . . . . 4 K CA . 15380 1
21 . 1 1 4 4 LYS CB C 13 36.24 0.04 . 1 . . . . 4 K CB . 15380 1
22 . 1 1 4 4 LYS CD C 13 28.96 0.05 . 1 . . . . 4 K CD . 15380 1
23 . 1 1 4 4 LYS CE C 13 42.14 0.05 . 1 . . . . 4 K CE . 15380 1
24 . 1 1 4 4 LYS CG C 13 25.46 0.17 . 1 . . . . 4 K CG . 15380 1
25 . 1 1 4 4 LYS N N 15 122.78 0.10 . 1 . . . . 4 K N . 15380 1
26 . 1 1 4 4 LYS NZ N 15 33.19 0.04 . 1 . . . . 4 K NZ . 15380 1
27 . 1 1 5 5 LEU C C 13 174.78 0.05 . 1 . . . . 5 L C . 15380 1
28 . 1 1 5 5 LEU CA C 13 52.91 0.04 . 1 . . . . 5 L CA . 15380 1
29 . 1 1 5 5 LEU CB C 13 42.46 0.02 . 1 . . . . 5 L CB . 15380 1
30 . 1 1 5 5 LEU CD1 C 13 25.05 0.06 . 2 . . . . 5 L CD1 . 15380 1
31 . 1 1 5 5 LEU CD2 C 13 25.71 0.05 . 2 . . . . 5 L CD2 . 15380 1
32 . 1 1 5 5 LEU CG C 13 27.33 0.02 . 1 . . . . 5 L CG . 15380 1
33 . 1 1 5 5 LEU N N 15 127.03 0.07 . 1 . . . . 5 L N . 15380 1
34 . 1 1 6 6 ILE C C 13 175.24 0.05 . 1 . . . . 6 I C . 15380 1
35 . 1 1 6 6 ILE CA C 13 59.93 0.04 . 1 . . . . 6 I CA . 15380 1
36 . 1 1 6 6 ILE CB C 13 37.81 0.04 . 1 . . . . 6 I CB . 15380 1
37 . 1 1 6 6 ILE CD1 C 13 12.72 0.04 . 1 . . . . 6 I CD1 . 15380 1
38 . 1 1 6 6 ILE CG1 C 13 27.41 0.04 . 1 . . . . 6 I CG1 . 15380 1
39 . 1 1 6 6 ILE CG2 C 13 17.57 0.04 . 1 . . . . 6 I CG2 . 15380 1
40 . 1 1 6 6 ILE N N 15 126.23 0.03 . 1 . . . . 6 I N . 15380 1
41 . 1 1 7 7 LEU C C 13 175.13 0.06 . 1 . . . . 7 L C . 15380 1
42 . 1 1 7 7 LEU CA C 13 54.62 0.05 . 1 . . . . 7 L CA . 15380 1
43 . 1 1 7 7 LEU CB C 13 42.92 0.02 . 1 . . . . 7 L CB . 15380 1
44 . 1 1 7 7 LEU CD1 C 13 26.14 0.10 . 2 . . . . 7 L CD1 . 15380 1
45 . 1 1 7 7 LEU CD2 C 13 25.08 0.03 . 2 . . . . 7 L CD2 . 15380 1
46 . 1 1 7 7 LEU CG C 13 27.07 0.06 . 1 . . . . 7 L CG . 15380 1
47 . 1 1 7 7 LEU N N 15 127.06 0.05 . 1 . . . . 7 L N . 15380 1
48 . 1 1 8 8 ASN C C 13 176.37 0.06 . 1 . . . . 8 N C . 15380 1
49 . 1 1 8 8 ASN CA C 13 50.70 0.04 . 1 . . . . 8 N CA . 15380 1
50 . 1 1 8 8 ASN CB C 13 38.29 0.04 . 1 . . . . 8 N CB . 15380 1
51 . 1 1 8 8 ASN CG C 13 176.51 0.07 . 1 . . . . 8 N CG . 15380 1
52 . 1 1 8 8 ASN N N 15 125.14 0.04 . 1 . . . . 8 N N . 15380 1
53 . 1 1 8 8 ASN ND2 N 15 110.70 0.01 . 1 . . . . 8 N ND2 . 15380 1
54 . 1 1 9 9 GLY C C 13 173.14 0.05 . 1 . . . . 9 G C . 15380 1
55 . 1 1 9 9 GLY CA C 13 44.60 0.07 . 1 . . . . 9 G CA . 15380 1
56 . 1 1 9 9 GLY N N 15 109.59 0.01 . 1 . . . . 9 G N . 15380 1
57 . 1 1 10 10 LYS C C 13 179.12 0.06 . 1 . . . . 10 K C . 15380 1
58 . 1 1 10 10 LYS CA C 13 59.23 0.06 . 1 . . . . 10 K CA . 15380 1
59 . 1 1 10 10 LYS CB C 13 32.86 0.10 . 1 . . . . 10 K CB . 15380 1
60 . 1 1 10 10 LYS CD C 13 29.22 0.07 . 1 . . . . 10 K CD . 15380 1
61 . 1 1 10 10 LYS CE C 13 42.21 0.02 . 1 . . . . 10 K CE . 15380 1
62 . 1 1 10 10 LYS CG C 13 25.71 0.05 . 1 . . . . 10 K CG . 15380 1
63 . 1 1 10 10 LYS N N 15 121.04 0.02 . 1 . . . . 10 K N . 15380 1
64 . 1 1 10 10 LYS NZ N 15 33.50 0.09 . 1 . . . . 10 K NZ . 15380 1
65 . 1 1 11 11 THR C C 13 173.34 0.07 . 1 . . . . 11 T C . 15380 1
66 . 1 1 11 11 THR CA C 13 61.89 0.04 . 1 . . . . 11 T CA . 15380 1
67 . 1 1 11 11 THR CB C 13 69.39 0.04 . 1 . . . . 11 T CB . 15380 1
68 . 1 1 11 11 THR CG2 C 13 22.48 0.07 . 1 . . . . 11 T CG2 . 15380 1
69 . 1 1 11 11 THR N N 15 106.34 0.02 . 1 . . . . 11 T N . 15380 1
70 . 1 1 12 12 LEU C C 13 173.84 0.07 . 1 . . . . 12 L C . 15380 1
71 . 1 1 12 12 LEU CA C 13 54.39 0.04 . 1 . . . . 12 L CA . 15380 1
72 . 1 1 12 12 LEU CB C 13 43.04 0.05 . 1 . . . . 12 L CB . 15380 1
73 . 1 1 12 12 LEU CD1 C 13 26.02 0.02 . 2 . . . . 12 L CD1 . 15380 1
74 . 1 1 12 12 LEU CD2 C 13 22.97 0.03 . 2 . . . . 12 L CD2 . 15380 1
75 . 1 1 12 12 LEU CG C 13 27.86 0.03 . 1 . . . . 12 L CG . 15380 1
76 . 1 1 12 12 LEU N N 15 127.84 0.06 . 1 . . . . 12 L N . 15380 1
77 . 1 1 13 13 LYS C C 13 175.72 0.03 . 1 . . . . 13 K C . 15380 1
78 . 1 1 13 13 LYS CA C 13 53.35 0.04 . 1 . . . . 13 K CA . 15380 1
79 . 1 1 13 13 LYS CB C 13 38.92 0.04 . 1 . . . . 13 K CB . 15380 1
80 . 1 1 13 13 LYS CD C 13 29.76 0.04 . 1 . . . . 13 K CD . 15380 1
81 . 1 1 13 13 LYS CE C 13 43.02 0.07 . 1 . . . . 13 K CE . 15380 1
82 . 1 1 13 13 LYS CG C 13 26.08 0.02 . 1 . . . . 13 K CG . 15380 1
83 . 1 1 13 13 LYS N N 15 123.30 0.04 . 1 . . . . 13 K N . 15380 1
84 . 1 1 13 13 LYS NZ N 15 31.52 0.03 . 1 . . . . 13 K NZ . 15380 1
85 . 1 1 14 14 GLY C C 13 171.35 0.05 . 1 . . . . 14 G C . 15380 1
86 . 1 1 14 14 GLY CA C 13 44.93 0.03 . 1 . . . . 14 G CA . 15380 1
87 . 1 1 14 14 GLY N N 15 105.56 0.02 . 1 . . . . 14 G N . 15380 1
88 . 1 1 15 15 GLU C C 13 174.15 0.06 . 1 . . . . 15 E C . 15380 1
89 . 1 1 15 15 GLU CA C 13 53.87 0.02 . 1 . . . . 15 E CA . 15380 1
90 . 1 1 15 15 GLU CB C 13 34.25 0.08 . 1 . . . . 15 E CB . 15380 1
91 . 1 1 15 15 GLU CD C 13 181.96 0.06 . 1 . . . . 15 E CD . 15380 1
92 . 1 1 15 15 GLU CG C 13 35.46 0.02 . 1 . . . . 15 E CG . 15380 1
93 . 1 1 15 15 GLU N N 15 120.98 0.04 . 1 . . . . 15 E N . 15380 1
94 . 1 1 16 16 THR C C 13 171.98 0.03 . 1 . . . . 16 T C . 15380 1
95 . 1 1 16 16 THR CA C 13 60.05 0.05 . 1 . . . . 16 T CA . 15380 1
96 . 1 1 16 16 THR CB C 13 70.40 0.06 . 1 . . . . 16 T CB . 15380 1
97 . 1 1 16 16 THR CG2 C 13 20.04 0.04 . 1 . . . . 16 T CG2 . 15380 1
98 . 1 1 16 16 THR N N 15 115.07 0.05 . 1 . . . . 16 T N . 15380 1
99 . 1 1 17 17 THR C C 13 174.30 0.02 . 1 . . . . 17 T C . 15380 1
100 . 1 1 17 17 THR CA C 13 60.27 0.04 . 1 . . . . 17 T CA . 15380 1
101 . 1 1 17 17 THR CB C 13 72.61 0.04 . 1 . . . . 17 T CB . 15380 1
102 . 1 1 17 17 THR CG2 C 13 21.79 0.03 . 1 . . . . 17 T CG2 . 15380 1
103 . 1 1 17 17 THR N N 15 116.03 0.01 . 1 . . . . 17 T N . 15380 1
104 . 1 1 18 18 THR C C 13 171.20 0.05 . 1 . . . . 18 T C . 15380 1
105 . 1 1 18 18 THR CA C 13 61.30 0.05 . 1 . . . . 18 T CA . 15380 1
106 . 1 1 18 18 THR CB C 13 70.85 0.04 . 1 . . . . 18 T CB . 15380 1
107 . 1 1 18 18 THR CG2 C 13 18.86 0.05 . 1 . . . . 18 T CG2 . 15380 1
108 . 1 1 18 18 THR N N 15 116.10 0.03 . 1 . . . . 18 T N . 15380 1
109 . 1 1 19 19 GLU C C 13 175.83 0.05 . 1 . . . . 19 E C . 15380 1
110 . 1 1 19 19 GLU CA C 13 54.28 0.09 . 1 . . . . 19 E CA . 15380 1
111 . 1 1 19 19 GLU CB C 13 30.80 0.10 . 1 . . . . 19 E CB . 15380 1
112 . 1 1 19 19 GLU CD C 13 182.32 0.04 . 1 . . . . 19 E CD . 15380 1
113 . 1 1 19 19 GLU CG C 13 35.92 0.09 . 1 . . . . 19 E CG . 15380 1
114 . 1 1 19 19 GLU N N 15 125.50 0.03 . 1 . . . . 19 E N . 15380 1
115 . 1 1 20 20 ALA C C 13 177.71 0.06 . 1 . . . . 20 A C . 15380 1
116 . 1 1 20 20 ALA CA C 13 50.67 0.04 . 1 . . . . 20 A CA . 15380 1
117 . 1 1 20 20 ALA CB C 13 23.64 0.02 . 1 . . . . 20 A CB . 15380 1
118 . 1 1 20 20 ALA N N 15 125.68 0.05 . 1 . . . . 20 A N . 15380 1
119 . 1 1 21 21 VAL C C 13 174.92 0.05 . 1 . . . . 21 V C . 15380 1
120 . 1 1 21 21 VAL CA C 13 63.51 0.04 . 1 . . . . 21 V CA . 15380 1
121 . 1 1 21 21 VAL CB C 13 31.91 0.10 . 1 . . . . 21 V CB . 15380 1
122 . 1 1 21 21 VAL CG1 C 13 21.01 0.03 . 2 . . . . 21 V CG1 . 15380 1
123 . 1 1 21 21 VAL CG2 C 13 20.70 0.07 . 2 . . . . 21 V CG2 . 15380 1
124 . 1 1 21 21 VAL N N 15 116.40 0.04 . 1 . . . . 21 V N . 15380 1
125 . 1 1 22 22 ASP C C 13 175.03 0.04 . 1 . . . . 22 D C . 15380 1
126 . 1 1 22 22 ASP CA C 13 52.48 0.02 . 1 . . . . 22 D CA . 15380 1
127 . 1 1 22 22 ASP CB C 13 42.34 0.03 . 1 . . . . 22 D CB . 15380 1
128 . 1 1 22 22 ASP CG C 13 179.77 0.07 . 1 . . . . 22 D CG . 15380 1
129 . 1 1 22 22 ASP N N 15 115.45 0.03 . 1 . . . . 22 D N . 15380 1
130 . 1 1 23 23 ALA C C 13 179.56 0.02 . 1 . . . . 23 A C . 15380 1
131 . 1 1 23 23 ALA CA C 13 54.42 0.08 . 1 . . . . 23 A CA . 15380 1
132 . 1 1 23 23 ALA CB C 13 18.24 0.04 . 1 . . . . 23 A CB . 15380 1
133 . 1 1 23 23 ALA N N 15 122.43 0.08 . 1 . . . . 23 A N . 15380 1
134 . 1 1 24 24 ALA C C 13 181.40 0.05 . 1 . . . . 24 A C . 15380 1
135 . 1 1 24 24 ALA CA C 13 54.51 0.04 . 1 . . . . 24 A CA . 15380 1
136 . 1 1 24 24 ALA CB C 13 18.23 0.02 . 1 . . . . 24 A CB . 15380 1
137 . 1 1 24 24 ALA N N 15 120.77 0.04 . 1 . . . . 24 A N . 15380 1
138 . 1 1 25 25 THR C C 13 175.86 0.03 . 1 . . . . 25 T C . 15380 1
139 . 1 1 25 25 THR CA C 13 67.43 0.09 . 1 . . . . 25 T CA . 15380 1
140 . 1 1 25 25 THR CB C 13 67.80 0.04 . 1 . . . . 25 T CB . 15380 1
141 . 1 1 25 25 THR CG2 C 13 21.40 0.02 . 1 . . . . 25 T CG2 . 15380 1
142 . 1 1 25 25 THR N N 15 117.40 0.07 . 1 . . . . 25 T N . 15380 1
143 . 1 1 26 26 ALA C C 13 177.23 0.04 . 1 . . . . 26 A C . 15380 1
144 . 1 1 26 26 ALA CA C 13 54.97 0.04 . 1 . . . . 26 A CA . 15380 1
145 . 1 1 26 26 ALA CB C 13 17.48 0.02 . 1 . . . . 26 A CB . 15380 1
146 . 1 1 26 26 ALA N N 15 123.77 0.07 . 1 . . . . 26 A N . 15380 1
147 . 1 1 27 27 GLU C C 13 177.75 0.03 . 1 . . . . 27 E C . 15380 1
148 . 1 1 27 27 GLU CA C 13 59.10 0.05 . 1 . . . . 27 E CA . 15380 1
149 . 1 1 27 27 GLU CB C 13 28.99 0.05 . 1 . . . . 27 E CB . 15380 1
150 . 1 1 27 27 GLU CD C 13 181.49 0.02 . 1 . . . . 27 E CD . 15380 1
151 . 1 1 27 27 GLU CG C 13 35.48 0.04 . 1 . . . . 27 E CG . 15380 1
152 . 1 1 27 27 GLU N N 15 116.31 0.04 . 1 . . . . 27 E N . 15380 1
153 . 1 1 28 28 LYS C C 13 179.09 0.08 . 1 . . . . 28 K C . 15380 1
154 . 1 1 28 28 LYS CA C 13 60.19 0.04 . 1 . . . . 28 K CA . 15380 1
155 . 1 1 28 28 LYS CB C 13 32.77 0.06 . 1 . . . . 28 K CB . 15380 1
156 . 1 1 28 28 LYS CD C 13 30.08 0.06 . 1 . . . . 28 K CD . 15380 1
157 . 1 1 28 28 LYS CE C 13 42.31 0.06 . 1 . . . . 28 K CE . 15380 1
158 . 1 1 28 28 LYS CG C 13 26.37 0.07 . 1 . . . . 28 K CG . 15380 1
159 . 1 1 28 28 LYS N N 15 117.38 0.03 . 1 . . . . 28 K N . 15380 1
160 . 1 1 28 28 LYS NZ N 15 32.92 0.06 . 1 . . . . 28 K NZ . 15380 1
161 . 1 1 29 29 VAL C C 13 178.88 0.06 . 1 . . . . 29 V C . 15380 1
162 . 1 1 29 29 VAL CA C 13 66.26 0.04 . 1 . . . . 29 V CA . 15380 1
163 . 1 1 29 29 VAL CB C 13 31.89 0.03 . 1 . . . . 29 V CB . 15380 1
164 . 1 1 29 29 VAL CG1 C 13 22.21 0.05 . 2 . . . . 29 V CG1 . 15380 1
165 . 1 1 29 29 VAL CG2 C 13 20.99 0.03 . 2 . . . . 29 V CG2 . 15380 1
166 . 1 1 29 29 VAL N N 15 119.23 0.04 . 1 . . . . 29 V N . 15380 1
167 . 1 1 30 30 PHE C C 13 179.23 0.02 . 1 . . . . 30 F C . 15380 1
168 . 1 1 30 30 PHE CA C 13 57.42 0.08 . 1 . . . . 30 F CA . 15380 1
169 . 1 1 30 30 PHE CB C 13 37.39 0.04 . 1 . . . . 30 F CB . 15380 1
170 . 1 1 30 30 PHE N N 15 118.80 0.06 . 1 . . . . 30 F N . 15380 1
171 . 1 1 31 31 LYS C C 13 179.59 0.05 . 1 . . . . 31 K C . 15380 1
172 . 1 1 31 31 LYS CA C 13 60.11 0.03 . 1 . . . . 31 K CA . 15380 1
173 . 1 1 31 31 LYS CB C 13 31.60 0.05 . 1 . . . . 31 K CB . 15380 1
174 . 1 1 31 31 LYS CD C 13 29.40 0.07 . 1 . . . . 31 K CD . 15380 1
175 . 1 1 31 31 LYS CE C 13 41.18 0.07 . 1 . . . . 31 K CE . 15380 1
176 . 1 1 31 31 LYS CG C 13 27.31 0.10 . 1 . . . . 31 K CG . 15380 1
177 . 1 1 31 31 LYS N N 15 120.59 0.07 . 1 . . . . 31 K N . 15380 1
178 . 1 1 31 31 LYS NZ N 15 32.21 0.04 . 1 . . . . 31 K NZ . 15380 1
179 . 1 1 32 32 GLN C C 13 177.52 0.05 . 1 . . . . 32 Q C . 15380 1
180 . 1 1 32 32 GLN CA C 13 58.82 0.05 . 1 . . . . 32 Q CA . 15380 1
181 . 1 1 32 32 GLN CB C 13 28.89 0.04 . 1 . . . . 32 Q CB . 15380 1
182 . 1 1 32 32 GLN CD C 13 179.86 0.06 . 1 . . . . 32 Q CD . 15380 1
183 . 1 1 32 32 GLN CG C 13 34.12 0.03 . 1 . . . . 32 Q CG . 15380 1
184 . 1 1 32 32 GLN N N 15 121.29 0.04 . 1 . . . . 32 Q N . 15380 1
185 . 1 1 32 32 GLN NE2 N 15 115.71 0.02 . 1 . . . . 32 Q NE2 . 15380 1
186 . 1 1 33 33 TYR C C 13 178.68 0.06 . 1 . . . . 33 Y C . 15380 1
187 . 1 1 33 33 TYR CA C 13 61.54 0.05 . 1 . . . . 33 Y CA . 15380 1
188 . 1 1 33 33 TYR CB C 13 36.87 0.10 . 1 . . . . 33 Y CB . 15380 1
189 . 1 1 33 33 TYR CZ C 13 159.52 0.02 . 1 . . . . 33 Y CZ . 15380 1
190 . 1 1 33 33 TYR N N 15 120.93 0.04 . 1 . . . . 33 Y N . 15380 1
191 . 1 1 34 34 ALA C C 13 179.55 0.05 . 1 . . . . 34 A C . 15380 1
192 . 1 1 34 34 ALA CA C 13 56.05 0.02 . 1 . . . . 34 A CA . 15380 1
193 . 1 1 34 34 ALA CB C 13 18.04 0.01 . 1 . . . . 34 A CB . 15380 1
194 . 1 1 34 34 ALA N N 15 122.67 0.04 . 1 . . . . 34 A N . 15380 1
195 . 1 1 35 35 ASN C C 13 179.53 0.04 . 1 . . . . 35 N C . 15380 1
196 . 1 1 35 35 ASN CA C 13 57.06 0.06 . 1 . . . . 35 N CA . 15380 1
197 . 1 1 35 35 ASN CB C 13 39.32 0.06 . 1 . . . . 35 N CB . 15380 1
198 . 1 1 35 35 ASN CG C 13 175.96 0.04 . 1 . . . . 35 N CG . 15380 1
199 . 1 1 35 35 ASN N N 15 118.14 0.04 . 1 . . . . 35 N N . 15380 1
200 . 1 1 35 35 ASN ND2 N 15 113.28 0.03 . 1 . . . . 35 N ND2 . 15380 1
201 . 1 1 36 36 ASP C C 13 176.17 0.02 . 1 . . . . 36 D C . 15380 1
202 . 1 1 36 36 ASP CA C 13 55.90 0.03 . 1 . . . . 36 D CA . 15380 1
203 . 1 1 36 36 ASP CB C 13 38.26 0.07 . 1 . . . . 36 D CB . 15380 1
204 . 1 1 36 36 ASP CG C 13 177.66 0.08 . 1 . . . . 36 D CG . 15380 1
205 . 1 1 36 36 ASP N N 15 121.15 0.06 . 1 . . . . 36 D N . 15380 1
206 . 1 1 37 37 ASN C C 13 174.24 0.05 . 1 . . . . 37 N C . 15380 1
207 . 1 1 37 37 ASN CA C 13 53.52 0.03 . 1 . . . . 37 N CA . 15380 1
208 . 1 1 37 37 ASN CB C 13 40.29 0.06 . 1 . . . . 37 N CB . 15380 1
209 . 1 1 37 37 ASN CG C 13 176.79 0.06 . 1 . . . . 37 N CG . 15380 1
210 . 1 1 37 37 ASN N N 15 115.05 0.06 . 1 . . . . 37 N N . 15380 1
211 . 1 1 37 37 ASN ND2 N 15 114.48 0.02 . 1 . . . . 37 N ND2 . 15380 1
212 . 1 1 38 38 GLY C C 13 174.00 0.02 . 1 . . . . 38 G C . 15380 1
213 . 1 1 38 38 GLY CA C 13 46.85 0.02 . 1 . . . . 38 G CA . 15380 1
214 . 1 1 38 38 GLY N N 15 108.44 0.03 . 1 . . . . 38 G N . 15380 1
215 . 1 1 39 39 VAL C C 13 175.14 0.07 . 1 . . . . 39 V C . 15380 1
216 . 1 1 39 39 VAL CA C 13 61.74 0.05 . 1 . . . . 39 V CA . 15380 1
217 . 1 1 39 39 VAL CB C 13 31.88 0.03 . 1 . . . . 39 V CB . 15380 1
218 . 1 1 39 39 VAL CG1 C 13 21.94 0.02 . 2 . . . . 39 V CG1 . 15380 1
219 . 1 1 39 39 VAL CG2 C 13 21.94 0.02 . 2 . . . . 39 V CG2 . 15380 1
220 . 1 1 39 39 VAL N N 15 121.77 0.04 . 1 . . . . 39 V N . 15380 1
221 . 1 1 40 40 ASP C C 13 174.92 0.06 . 1 . . . . 40 D C . 15380 1
222 . 1 1 40 40 ASP CA C 13 52.74 0.04 . 1 . . . . 40 D CA . 15380 1
223 . 1 1 40 40 ASP CB C 13 41.70 0.02 . 1 . . . . 40 D CB . 15380 1
224 . 1 1 40 40 ASP CG C 13 180.79 0.08 . 1 . . . . 40 D CG . 15380 1
225 . 1 1 40 40 ASP N N 15 131.11 0.04 . 1 . . . . 40 D N . 15380 1
226 . 1 1 41 41 GLY C C 13 172.70 0.07 . 1 . . . . 41 G C . 15380 1
227 . 1 1 41 41 GLY CA C 13 45.18 0.07 . 1 . . . . 41 G CA . 15380 1
228 . 1 1 41 41 GLY N N 15 108.23 0.01 . 1 . . . . 41 G N . 15380 1
229 . 1 1 42 42 GLU C C 13 177.82 0.05 . 1 . . . . 42 E C . 15380 1
230 . 1 1 42 42 GLU CA C 13 55.20 0.05 . 1 . . . . 42 E CA . 15380 1
231 . 1 1 42 42 GLU CB C 13 31.57 0.07 . 1 . . . . 42 E CB . 15380 1
232 . 1 1 42 42 GLU CD C 13 182.13 0.06 . 1 . . . . 42 E CD . 15380 1
233 . 1 1 42 42 GLU CG C 13 35.98 0.07 . 1 . . . . 42 E CG . 15380 1
234 . 1 1 42 42 GLU N N 15 119.21 0.03 . 1 . . . . 42 E N . 15380 1
235 . 1 1 43 43 TRP C C 13 177.37 0.09 . 1 . . . . 43 W C . 15380 1
236 . 1 1 43 43 TRP CA C 13 57.49 0.06 . 1 . . . . 43 W CA . 15380 1
237 . 1 1 43 43 TRP CB C 13 33.90 0.10 . 1 . . . . 43 W CB . 15380 1
238 . 1 1 43 43 TRP CD1 C 13 127.16 0.07 . 1 . . . . 43 W CD1 . 15380 1
239 . 1 1 43 43 TRP CD2 C 13 130.05 0.14 . 1 . . . . 43 W CD2 . 15380 1
240 . 1 1 43 43 TRP CE2 C 13 138.51 0.09 . 1 . . . . 43 W CE2 . 15380 1
241 . 1 1 43 43 TRP CE3 C 13 119.64 0.09 . 1 . . . . 43 W CE3 . 15380 1
242 . 1 1 43 43 TRP CG C 13 111.74 0.10 . 1 . . . . 43 W CG . 15380 1
243 . 1 1 43 43 TRP CH2 C 13 122.95 0.22 . 1 . . . . 43 W CH2 . 15380 1
244 . 1 1 43 43 TRP CZ2 C 13 114.71 0.09 . 1 . . . . 43 W CZ2 . 15380 1
245 . 1 1 43 43 TRP CZ3 C 13 120.92 0.04 . 1 . . . . 43 W CZ3 . 15380 1
246 . 1 1 43 43 TRP N N 15 125.00 0.06 . 1 . . . . 43 W N . 15380 1
247 . 1 1 43 43 TRP NE1 N 15 131.39 0.05 . 1 . . . . 43 W NE1 . 15380 1
248 . 1 1 44 44 THR C C 13 173.94 0.06 . 1 . . . . 44 T C . 15380 1
249 . 1 1 44 44 THR CA C 13 60.84 0.06 . 1 . . . . 44 T CA . 15380 1
250 . 1 1 44 44 THR CB C 13 73.04 0.03 . 1 . . . . 44 T CB . 15380 1
251 . 1 1 44 44 THR CG2 C 13 21.00 0.05 . 1 . . . . 44 T CG2 . 15380 1
252 . 1 1 44 44 THR N N 15 109.11 0.02 . 1 . . . . 44 T N . 15380 1
253 . 1 1 45 45 TYR C C 13 171.89 0.07 . 1 . . . . 45 Y C . 15380 1
254 . 1 1 45 45 TYR CA C 13 57.81 0.06 . 1 . . . . 45 Y CA . 15380 1
255 . 1 1 45 45 TYR CB C 13 43.00 0.07 . 1 . . . . 45 Y CB . 15380 1
256 . 1 1 45 45 TYR CZ C 13 157.49 0.10 . 1 . . . . 45 Y CZ . 15380 1
257 . 1 1 45 45 TYR N N 15 118.69 0.04 . 1 . . . . 45 Y N . 15380 1
258 . 1 1 46 46 ASP C C 13 176.34 0.04 . 1 . . . . 46 D C . 15380 1
259 . 1 1 46 46 ASP CA C 13 50.86 0.04 . 1 . . . . 46 D CA . 15380 1
260 . 1 1 46 46 ASP CB C 13 42.68 0.08 . 1 . . . . 46 D CB . 15380 1
261 . 1 1 46 46 ASP CG C 13 180.23 0.07 . 1 . . . . 46 D CG . 15380 1
262 . 1 1 46 46 ASP N N 15 126.38 0.04 . 1 . . . . 46 D N . 15380 1
263 . 1 1 47 47 ASP C C 13 177.36 0.06 . 1 . . . . 47 D C . 15380 1
264 . 1 1 47 47 ASP CA C 13 54.72 0.07 . 1 . . . . 47 D CA . 15380 1
265 . 1 1 47 47 ASP CB C 13 43.02 0.01 . 1 . . . . 47 D CB . 15380 1
266 . 1 1 47 47 ASP CG C 13 179.60 0.06 . 1 . . . . 47 D CG . 15380 1
267 . 1 1 47 47 ASP N N 15 123.55 0.05 . 1 . . . . 47 D N . 15380 1
268 . 1 1 48 48 ALA C C 13 179.64 0.03 . 1 . . . . 48 A C . 15380 1
269 . 1 1 48 48 ALA CA C 13 54.04 0.06 . 1 . . . . 48 A CA . 15380 1
270 . 1 1 48 48 ALA CB C 13 18.99 0.01 . 1 . . . . 48 A CB . 15380 1
271 . 1 1 48 48 ALA N N 15 119.01 0.02 . 1 . . . . 48 A N . 15380 1
272 . 1 1 49 49 THR C C 13 175.68 0.05 . 1 . . . . 49 T C . 15380 1
273 . 1 1 49 49 THR CA C 13 60.23 0.05 . 1 . . . . 49 T CA . 15380 1
274 . 1 1 49 49 THR CB C 13 69.91 0.06 . 1 . . . . 49 T CB . 15380 1
275 . 1 1 49 49 THR CG2 C 13 21.57 0.04 . 1 . . . . 49 T CG2 . 15380 1
276 . 1 1 49 49 THR N N 15 104.01 0.02 . 1 . . . . 49 T N . 15380 1
277 . 1 1 50 50 LYS C C 13 175.45 0.07 . 1 . . . . 50 K C . 15380 1
278 . 1 1 50 50 LYS CA C 13 55.58 0.05 . 1 . . . . 50 K CA . 15380 1
279 . 1 1 50 50 LYS CB C 13 27.99 0.06 . 1 . . . . 50 K CB . 15380 1
280 . 1 1 50 50 LYS CD C 13 28.22 0.05 . 1 . . . . 50 K CD . 15380 1
281 . 1 1 50 50 LYS CE C 13 43.38 0.06 . 1 . . . . 50 K CE . 15380 1
282 . 1 1 50 50 LYS CG C 13 24.40 0.10 . 1 . . . . 50 K CG . 15380 1
283 . 1 1 50 50 LYS N N 15 119.96 0.03 . 1 . . . . 50 K N . 15380 1
284 . 1 1 50 50 LYS NZ N 15 33.95 0.03 . 1 . . . . 50 K NZ . 15380 1
285 . 1 1 51 51 THR C C 13 174.36 0.03 . 1 . . . . 51 T C . 15380 1
286 . 1 1 51 51 THR CA C 13 62.45 0.03 . 1 . . . . 51 T CA . 15380 1
287 . 1 1 51 51 THR CB C 13 71.65 0.03 . 1 . . . . 51 T CB . 15380 1
288 . 1 1 51 51 THR CG2 C 13 21.24 0.03 . 1 . . . . 51 T CG2 . 15380 1
289 . 1 1 51 51 THR N N 15 112.00 0.03 . 1 . . . . 51 T N . 15380 1
290 . 1 1 52 52 PHE C C 13 175.71 0.07 . 1 . . . . 52 F C . 15380 1
291 . 1 1 52 52 PHE CA C 13 56.51 0.11 . 1 . . . . 52 F CA . 15380 1
292 . 1 1 52 52 PHE CB C 13 42.78 0.02 . 1 . . . . 52 F CB . 15380 1
293 . 1 1 52 52 PHE N N 15 130.31 0.07 . 1 . . . . 52 F N . 15380 1
294 . 1 1 53 53 THR C C 13 172.19 0.04 . 1 . . . . 53 T C . 15380 1
295 . 1 1 53 53 THR CA C 13 60.31 0.02 . 1 . . . . 53 T CA . 15380 1
296 . 1 1 53 53 THR CB C 13 71.66 0.01 . 1 . . . . 53 T CB . 15380 1
297 . 1 1 53 53 THR CG2 C 13 21.03 0.08 . 1 . . . . 53 T CG2 . 15380 1
298 . 1 1 53 53 THR N N 15 112.15 0.04 . 1 . . . . 53 T N . 15380 1
299 . 1 1 54 54 VAL C C 13 172.59 0.03 . 1 . . . . 54 V C . 15380 1
300 . 1 1 54 54 VAL CA C 13 58.40 0.03 . 1 . . . . 54 V CA . 15380 1
301 . 1 1 54 54 VAL CB C 13 32.67 0.05 . 1 . . . . 54 V CB . 15380 1
302 . 1 1 54 54 VAL CG1 C 13 21.83 0.06 . 2 . . . . 54 V CG1 . 15380 1
303 . 1 1 54 54 VAL CG2 C 13 19.68 0.02 . 2 . . . . 54 V CG2 . 15380 1
304 . 1 1 54 54 VAL N N 15 118.34 0.03 . 1 . . . . 54 V N . 15380 1
305 . 1 1 55 55 THR C C 13 174.18 0.06 . 1 . . . . 55 T C . 15380 1
306 . 1 1 55 55 THR CA C 13 61.25 0.05 . 1 . . . . 55 T CA . 15380 1
307 . 1 1 55 55 THR CB C 13 72.04 0.04 . 1 . . . . 55 T CB . 15380 1
308 . 1 1 55 55 THR CG2 C 13 21.35 0.08 . 1 . . . . 55 T CG2 . 15380 1
309 . 1 1 55 55 THR N N 15 124.11 0.04 . 1 . . . . 55 T N . 15380 1
310 . 1 1 56 56 GLU C C 13 180.55 0.06 . 1 . . . . 56 E C . 15380 1
311 . 1 1 56 56 GLU CA C 13 57.57 0.04 . 1 . . . . 56 E CA . 15380 1
312 . 1 1 56 56 GLU CB C 13 33.24 0.05 . 1 . . . . 56 E CB . 15380 1
313 . 1 1 56 56 GLU CD C 13 183.17 0.02 . 1 . . . . 56 E CD . 15380 1
314 . 1 1 56 56 GLU CG C 13 38.80 0.04 . 1 . . . . 56 E CG . 15380 1
315 . 1 1 56 56 GLU N N 15 131.06 0.03 . 1 . . . . 56 E N . 15380 1
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