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 16241
_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 1H-15N HSQC' . . . 16241 1
2 '2D 1H-13C HSQC' . . . 16241 1
3 '2D 1H-1H COSY' . . . 16241 1
5 '2D 1H-1H TOCSY' . . . 16241 1
6 '2D 1H-1H NOESY' . . . 16241 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
2 $SPARKY . . 16241 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 GLY HA2 H 1 3.890 0.02 . 2 . . . . 1 GLY QA 1 16241 1
2 . 1 1 1 1 GLY HA3 H 1 3.890 0.02 . 2 . . . . 1 GLY QA 1 16241 1
3 . 1 1 1 1 GLY CA C 13 43.292 0.2 . 1 . . . . 1 GLY CA 1 16241 1
4 . 1 1 2 2 ALA H H 1 8.663 0.02 . 1 . . . . 2 ALA H 1 16241 1
5 . 1 1 2 2 ALA HA H 1 4.329 0.02 . 1 . . . . 2 ALA HA 1 16241 1
6 . 1 1 2 2 ALA HB1 H 1 1.471 0.02 . 2 . . . . 2 ALA QB 1 16241 1
7 . 1 1 2 2 ALA HB2 H 1 1.471 0.02 . 2 . . . . 2 ALA QB 1 16241 1
8 . 1 1 2 2 ALA HB3 H 1 1.471 0.02 . 2 . . . . 2 ALA QB 1 16241 1
9 . 1 1 2 2 ALA CA C 13 54.217 0.2 . 1 . . . . 2 ALA CA 1 16241 1
10 . 1 1 2 2 ALA CB C 13 18.718 0.2 . 1 . . . . 2 ALA CB 1 16241 1
11 . 1 1 2 2 ALA N N 15 123.890 0.2 . 1 . . . . 2 ALA N 1 16241 1
12 . 1 1 3 3 TRP H H 1 8.289 0.02 . 1 . . . . 3 TRP H 1 16241 1
13 . 1 1 3 3 TRP HA H 1 4.629 0.02 . 1 . . . . 3 TRP HA 1 16241 1
14 . 1 1 3 3 TRP HB2 H 1 3.410 0.02 . 2 . . . . 3 TRP QB 1 16241 1
15 . 1 1 3 3 TRP HB3 H 1 3.410 0.02 . 2 . . . . 3 TRP QB 1 16241 1
16 . 1 1 3 3 TRP HD1 H 1 7.270 0.02 . 1 . . . . 3 TRP HD1 1 16241 1
17 . 1 1 3 3 TRP HE1 H 1 9.778 0.02 . 1 . . . . 3 TRP HE1 1 16241 1
18 . 1 1 3 3 TRP HE3 H 1 7.631 0.02 . 1 . . . . 3 TRP HE3 1 16241 1
19 . 1 1 3 3 TRP HH2 H 1 7.223 0.02 . 1 . . . . 3 TRP HH2 1 16241 1
20 . 1 1 3 3 TRP HZ2 H 1 7.413 0.02 . 1 . . . . 3 TRP HZ2 1 16241 1
21 . 1 1 3 3 TRP HZ3 H 1 7.051 0.02 . 1 . . . . 3 TRP HZ3 1 16241 1
22 . 1 1 3 3 TRP CB C 13 29.120 0.2 . 1 . . . . 3 TRP CB 1 16241 1
23 . 1 1 3 3 TRP CD1 C 13 126.866 0.2 . 1 . . . . 3 TRP CD1 1 16241 1
24 . 1 1 3 3 TRP CD2 C 13 129.718 0.2 . 1 . . . . 3 TRP CD2 1 16241 1
25 . 1 1 3 3 TRP CE2 C 13 139.355 0.2 . 1 . . . . 3 TRP CE2 1 16241 1
26 . 1 1 3 3 TRP CE3 C 13 120.689 0.2 . 1 . . . . 3 TRP CE3 1 16241 1
27 . 1 1 3 3 TRP CG C 13 111.469 0.2 . 1 . . . . 3 TRP CG 1 16241 1
28 . 1 1 3 3 TRP CH2 C 13 124.564 0.2 . 1 . . . . 3 TRP CH2 1 16241 1
29 . 1 1 3 3 TRP CZ2 C 13 114.532 0.2 . 1 . . . . 3 TRP CZ2 1 16241 1
30 . 1 1 3 3 TRP CZ3 C 13 121.978 0.2 . 1 . . . . 3 TRP CZ3 1 16241 1
31 . 1 1 3 3 TRP N N 15 119.200 0.2 . 1 . . . . 3 TRP N 1 16241 1
32 . 1 1 3 3 TRP NE1 N 15 127.435 0.2 . 1 . . . . 3 TRP NE1 1 16241 1
33 . 1 1 4 4 LYS H H 1 8.133 0.02 . 1 . . . . 4 LYS H 1 16241 1
34 . 1 1 4 4 LYS HA H 1 4.160 0.02 . 1 . . . . 4 LYS HA 1 16241 1
35 . 1 1 4 4 LYS HB2 H 1 1.897 0.02 . 2 . . . . 4 LYS QB 1 16241 1
36 . 1 1 4 4 LYS HB3 H 1 1.897 0.02 . 2 . . . . 4 LYS QB 1 16241 1
37 . 1 1 4 4 LYS HD2 H 1 1.781 0.02 . 2 . . . . 4 LYS QD 1 16241 1
38 . 1 1 4 4 LYS HD3 H 1 1.781 0.02 . 2 . . . . 4 LYS QD 1 16241 1
39 . 1 1 4 4 LYS HE2 H 1 3.043 0.02 . 2 . . . . 4 LYS QE 1 16241 1
40 . 1 1 4 4 LYS HE3 H 1 3.043 0.02 . 2 . . . . 4 LYS QE 1 16241 1
41 . 1 1 4 4 LYS HG2 H 1 1.461 0.02 . 1 . . . . 4 LYS HG2 1 16241 1
42 . 1 1 4 4 LYS HG3 H 1 1.510 0.02 . 1 . . . . 4 LYS HG3 1 16241 1
43 . 1 1 4 4 LYS HZ1 H 1 7.654 0.02 . 2 . . . . 4 LYS QZ 1 16241 1
44 . 1 1 4 4 LYS HZ2 H 1 7.654 0.02 . 2 . . . . 4 LYS QZ 1 16241 1
45 . 1 1 4 4 LYS HZ3 H 1 7.654 0.02 . 2 . . . . 4 LYS QZ 1 16241 1
46 . 1 1 4 4 LYS CA C 13 59.001 0.2 . 1 . . . . 4 LYS CA 1 16241 1
47 . 1 1 4 4 LYS CB C 13 32.524 0.2 . 1 . . . . 4 LYS CB 1 16241 1
48 . 1 1 4 4 LYS CD C 13 29.379 0.2 . 1 . . . . 4 LYS CD 1 16241 1
49 . 1 1 4 4 LYS CE C 13 42.221 0.2 . 1 . . . . 4 LYS CE 1 16241 1
50 . 1 1 4 4 LYS CG C 13 24.994 0.2 . 1 . . . . 4 LYS CG 1 16241 1
51 . 1 1 5 5 ASN H H 1 8.141 0.02 . 1 . . . . 5 ASN H 1 16241 1
52 . 1 1 5 5 ASN HA H 1 4.527 0.02 . 1 . . . . 5 ASN HA 1 16241 1
53 . 1 1 5 5 ASN HB2 H 1 2.888 0.02 . 2 . . . . 5 ASN QB 1 16241 1
54 . 1 1 5 5 ASN HB3 H 1 2.888 0.02 . 2 . . . . 5 ASN QB 1 16241 1
55 . 1 1 5 5 ASN HD21 H 1 7.485 0.02 . 1 . . . . 5 ASN HD21 1 16241 1
56 . 1 1 5 5 ASN HD22 H 1 6.821 0.02 . 1 . . . . 5 ASN HD22 1 16241 1
57 . 1 1 5 5 ASN CB C 13 37.852 0.2 . 1 . . . . 5 ASN CB 1 16241 1
58 . 1 1 5 5 ASN N N 15 118.143 0.2 . 1 . . . . 5 ASN N 1 16241 1
59 . 1 1 5 5 ASN ND2 N 15 110.449 0.2 . 1 . . . . 5 ASN ND2 1 16241 1
60 . 1 1 6 6 PHE H H 1 8.268 0.02 . 1 . . . . 6 PHE H 1 16241 1
61 . 1 1 6 6 PHE HA H 1 4.233 0.02 . 1 . . . . 6 PHE HA 1 16241 1
62 . 1 1 6 6 PHE HB2 H 1 2.998 0.02 . 1 . . . . 6 PHE HB2 1 16241 1
63 . 1 1 6 6 PHE HB3 H 1 3.131 0.02 . 1 . . . . 6 PHE HB3 1 16241 1
64 . 1 1 6 6 PHE HD1 H 1 6.620 0.02 . 3 . . . . 6 PHE QD 1 16241 1
65 . 1 1 6 6 PHE HD2 H 1 6.620 0.02 . 3 . . . . 6 PHE QD 1 16241 1
66 . 1 1 6 6 PHE HE1 H 1 6.873 0.02 . 3 . . . . 6 PHE QE 1 16241 1
67 . 1 1 6 6 PHE HE2 H 1 6.873 0.02 . 3 . . . . 6 PHE QE 1 16241 1
68 . 1 1 6 6 PHE HZ H 1 7.084 0.02 . 1 . . . . 6 PHE HZ 1 16241 1
69 . 1 1 6 6 PHE CA C 13 61.121 0.2 . 1 . . . . 6 PHE CA 1 16241 1
70 . 1 1 6 6 PHE CB C 13 39.051 0.2 . 1 . . . . 6 PHE CB 1 16241 1
71 . 1 1 6 6 PHE CD1 C 13 131.354 0.2 . 1 . . . . 6 PHE CD1 1 16241 1
72 . 1 1 6 6 PHE CE1 C 13 130.994 0.2 . 1 . . . . 6 PHE CE1 1 16241 1
73 . 1 1 6 6 PHE CG C 13 137.225 0.2 . 1 . . . . 6 PHE CG 1 16241 1
74 . 1 1 6 6 PHE CZ C 13 129.636 0.2 . 1 . . . . 6 PHE CZ 1 16241 1
75 . 1 1 6 6 PHE N N 15 122.645 0.2 . 1 . . . . 6 PHE N 1 16241 1
76 . 1 1 7 7 TRP H H 1 8.210 0.02 . 1 . . . . 7 TRP H 1 16241 1
77 . 1 1 7 7 TRP HA H 1 4.218 0.02 . 1 . . . . 7 TRP HA 1 16241 1
78 . 1 1 7 7 TRP HB2 H 1 3.034 0.02 . 1 . . . . 7 TRP HB2 1 16241 1
79 . 1 1 7 7 TRP HB3 H 1 3.262 0.02 . 1 . . . . 7 TRP HB3 1 16241 1
80 . 1 1 7 7 TRP HD1 H 1 6.931 0.02 . 1 . . . . 7 TRP HD1 1 16241 1
81 . 1 1 7 7 TRP HE1 H 1 8.883 0.02 . 1 . . . . 7 TRP HE1 1 16241 1
82 . 1 1 7 7 TRP HE3 H 1 7.541 0.02 . 1 . . . . 7 TRP HE3 1 16241 1
83 . 1 1 7 7 TRP HH2 H 1 7.253 0.02 . 1 . . . . 7 TRP HH2 1 16241 1
84 . 1 1 7 7 TRP HZ2 H 1 7.424 0.02 . 1 . . . . 7 TRP HZ2 1 16241 1
85 . 1 1 7 7 TRP HZ3 H 1 7.135 0.02 . 1 . . . . 7 TRP HZ3 1 16241 1
86 . 1 1 7 7 TRP CA C 13 57.537 0.2 . 1 . . . . 7 TRP CA 1 16241 1
87 . 1 1 7 7 TRP CB C 13 29.031 0.2 . 1 . . . . 7 TRP CB 1 16241 1
88 . 1 1 7 7 TRP CD1 C 13 126.957 0.2 . 1 . . . . 7 TRP CD1 1 16241 1
89 . 1 1 7 7 TRP CE2 C 13 139.345 0.2 . 1 . . . . 7 TRP CE2 1 16241 1
90 . 1 1 7 7 TRP CE3 C 13 120.673 0.2 . 1 . . . . 7 TRP CE3 1 16241 1
91 . 1 1 7 7 TRP CH2 C 13 124.497 0.2 . 1 . . . . 7 TRP CH2 1 16241 1
92 . 1 1 7 7 TRP CZ2 C 13 114.224 0.2 . 1 . . . . 7 TRP CZ2 1 16241 1
93 . 1 1 7 7 TRP CZ3 C 13 121.976 0.2 . 1 . . . . 7 TRP CZ3 1 16241 1
94 . 1 1 7 7 TRP N N 15 119.652 0.2 . 1 . . . . 7 TRP N 1 16241 1
95 . 1 1 7 7 TRP NE1 N 15 125.764 0.2 . 1 . . . . 7 TRP NE1 1 16241 1
96 . 1 1 8 8 SER H H 1 8.313 0.02 . 1 . . . . 8 SER H 1 16241 1
97 . 1 1 8 8 SER HA H 1 4.211 0.02 . 1 . . . . 8 SER HA 1 16241 1
98 . 1 1 8 8 SER HB2 H 1 3.998 0.02 . 1 . . . . 8 SER HB2 1 16241 1
99 . 1 1 8 8 SER HB3 H 1 4.090 0.02 . 1 . . . . 8 SER HB3 1 16241 1
100 . 1 1 8 8 SER CA C 13 60.128 0.2 . 1 . . . . 8 SER CA 1 16241 1
101 . 1 1 8 8 SER CB C 13 62.938 0.2 . 1 . . . . 8 SER CB 1 16241 1
102 . 1 1 8 8 SER N N 15 113.442 0.2 . 1 . . . . 8 SER N 1 16241 1
103 . 1 1 9 9 SER H H 1 7.864 0.02 . 1 . . . . 9 SER H 1 16241 1
104 . 1 1 9 9 SER HA H 1 4.255 0.02 . 1 . . . . 9 SER HA 1 16241 1
105 . 1 1 9 9 SER HB2 H 1 3.914 0.02 . 1 . . . . 9 SER HB2 1 16241 1
106 . 1 1 9 9 SER HB3 H 1 4.048 0.02 . 1 . . . . 9 SER HB3 1 16241 1
107 . 1 1 9 9 SER CA C 13 61.797 0.2 . 1 . . . . 9 SER CA 1 16241 1
108 . 1 1 9 9 SER CB C 13 62.938 0.2 . 1 . . . . 9 SER CB 1 16241 1
109 . 1 1 9 9 SER N N 15 117.994 0.2 . 1 . . . . 9 SER N 1 16241 1
110 . 1 1 10 10 LEU H H 1 7.867 0.02 . 1 . . . . 10 LEU H 1 16241 1
111 . 1 1 10 10 LEU HA H 1 4.047 0.02 . 1 . . . . 10 LEU HA 1 16241 1
112 . 1 1 10 10 LEU HB2 H 1 1.504 0.02 . 2 . . . . 10 LEU QB 1 16241 1
113 . 1 1 10 10 LEU HB3 H 1 1.504 0.02 . 2 . . . . 10 LEU QB 1 16241 1
114 . 1 1 10 10 LEU HD11 H 1 0.681 0.02 . 2 . . . . 10 LEU QD1 1 16241 1
115 . 1 1 10 10 LEU HD12 H 1 0.681 0.02 . 2 . . . . 10 LEU QD1 1 16241 1
116 . 1 1 10 10 LEU HD13 H 1 0.681 0.02 . 2 . . . . 10 LEU QD1 1 16241 1
117 . 1 1 10 10 LEU HD21 H 1 0.756 0.02 . 2 . . . . 10 LEU QD2 1 16241 1
118 . 1 1 10 10 LEU HD22 H 1 0.756 0.02 . 2 . . . . 10 LEU QD2 1 16241 1
119 . 1 1 10 10 LEU HD23 H 1 0.756 0.02 . 2 . . . . 10 LEU QD2 1 16241 1
120 . 1 1 10 10 LEU HG H 1 1.445 0.02 . 1 . . . . 10 LEU HG 1 16241 1
121 . 1 1 10 10 LEU CA C 13 57.592 0.2 . 1 . . . . 10 LEU CA 1 16241 1
122 . 1 1 10 10 LEU CB C 13 41.896 0.2 . 1 . . . . 10 LEU CB 1 16241 1
123 . 1 1 10 10 LEU CD1 C 13 24.271 0.2 . 1 . . . . 10 LEU CD1 1 16241 1
124 . 1 1 10 10 LEU CD2 C 13 23.295 0.2 . 1 . . . . 10 LEU CD2 1 16241 1
125 . 1 1 10 10 LEU CG C 13 26.693 0.2 . 1 . . . . 10 LEU CG 1 16241 1
126 . 1 1 10 10 LEU N N 15 124.116 0.2 . 1 . . . . 10 LEU N 1 16241 1
127 . 1 1 11 11 ARG H H 1 7.975 0.02 . 1 . . . . 11 ARG H 1 16241 1
128 . 1 1 11 11 ARG HA H 1 4.051 0.02 . 1 . . . . 11 ARG HA 1 16241 1
129 . 1 1 11 11 ARG HB2 H 1 1.880 0.02 . 2 . . . . 11 ARG QB 1 16241 1
130 . 1 1 11 11 ARG HB3 H 1 1.880 0.02 . 2 . . . . 11 ARG QB 1 16241 1
131 . 1 1 11 11 ARG HD2 H 1 3.107 0.02 . 2 . . . . 11 ARG QD 1 16241 1
132 . 1 1 11 11 ARG HD3 H 1 3.107 0.02 . 2 . . . . 11 ARG QD 1 16241 1
133 . 1 1 11 11 ARG HE H 1 7.066 0.02 . 1 . . . . 11 ARG HE 1 16241 1
134 . 1 1 11 11 ARG HG2 H 1 1.621 0.02 . 1 . . . . 11 ARG HG2 1 16241 1
135 . 1 1 11 11 ARG HG3 H 1 1.741 0.02 . 1 . . . . 11 ARG HG3 1 16241 1
136 . 1 1 11 11 ARG CA C 13 58.881 0.2 . 1 . . . . 11 ARG CA 1 16241 1
137 . 1 1 11 11 ARG CB C 13 29.959 0.2 . 1 . . . . 11 ARG CB 1 16241 1
138 . 1 1 11 11 ARG CD C 13 43.264 0.2 . 1 . . . . 11 ARG CD 1 16241 1
139 . 1 1 11 11 ARG CG C 13 27.413 0.2 . 1 . . . . 11 ARG CG 1 16241 1
140 . 1 1 11 11 ARG N N 15 118.035 0.2 . 1 . . . . 11 ARG N 1 16241 1
141 . 1 1 11 11 ARG NE N 15 119.719 0.2 . 1 . . . . 11 ARG NE 1 16241 1
142 . 1 1 12 12 LYS H H 1 7.928 0.02 . 1 . . . . 12 LYS H 1 16241 1
143 . 1 1 12 12 LYS HA H 1 4.161 0.02 . 1 . . . . 12 LYS HA 1 16241 1
144 . 1 1 12 12 LYS HB2 H 1 1.952 0.02 . 2 . . . . 12 LYS QB 1 16241 1
145 . 1 1 12 12 LYS HB3 H 1 1.952 0.02 . 2 . . . . 12 LYS QB 1 16241 1
146 . 1 1 12 12 LYS HD2 H 1 1.745 0.02 . 2 . . . . 12 LYS QD 1 16241 1
147 . 1 1 12 12 LYS HD3 H 1 1.745 0.02 . 2 . . . . 12 LYS QD 1 16241 1
148 . 1 1 12 12 LYS HE2 H 1 3.035 0.02 . 2 . . . . 12 LYS QE 1 16241 1
149 . 1 1 12 12 LYS HE3 H 1 3.035 0.02 . 2 . . . . 12 LYS QE 1 16241 1
150 . 1 1 12 12 LYS HG2 H 1 1.485 0.02 . 1 . . . . 12 LYS HG2 1 16241 1
151 . 1 1 12 12 LYS HG3 H 1 1.603 0.02 . 1 . . . . 12 LYS HG3 1 16241 1
152 . 1 1 12 12 LYS HZ1 H 1 7.588 0.02 . 2 . . . . 12 LYS QZ 1 16241 1
153 . 1 1 12 12 LYS HZ2 H 1 7.588 0.02 . 2 . . . . 12 LYS QZ 1 16241 1
154 . 1 1 12 12 LYS HZ3 H 1 7.588 0.02 . 2 . . . . 12 LYS QZ 1 16241 1
155 . 1 1 12 12 LYS CA C 13 59.020 0.2 . 1 . . . . 12 LYS CA 1 16241 1
156 . 1 1 12 12 LYS CB C 13 32.512 0.2 . 1 . . . . 12 LYS CB 1 16241 1
157 . 1 1 12 12 LYS CD C 13 29.298 0.2 . 1 . . . . 12 LYS CD 1 16241 1
158 . 1 1 12 12 LYS CE C 13 42.223 0.2 . 1 . . . . 12 LYS CE 1 16241 1
159 . 1 1 12 12 LYS CG C 13 25.001 0.2 . 1 . . . . 12 LYS CG 1 16241 1
160 . 1 1 12 12 LYS N N 15 118.806 0.2 . 1 . . . . 12 LYS N 1 16241 1
161 . 1 1 13 13 GLY H H 1 8.079 0.02 . 1 . . . . 13 GLY H 1 16241 1
162 . 1 1 13 13 GLY HA2 H 1 3.890 0.02 . 2 . . . . 13 GLY QA 1 16241 1
163 . 1 1 13 13 GLY HA3 H 1 3.890 0.02 . 2 . . . . 13 GLY QA 1 16241 1
164 . 1 1 13 13 GLY CA C 13 46.369 0.2 . 1 . . . . 13 GLY CA 1 16241 1
165 . 1 1 13 13 GLY N N 15 106.212 0.2 . 1 . . . . 13 GLY N 1 16241 1
166 . 1 1 14 14 PHE H H 1 8.135 0.02 . 1 . . . . 14 PHE H 1 16241 1
167 . 1 1 14 14 PHE HA H 1 4.436 0.02 . 1 . . . . 14 PHE HA 1 16241 1
168 . 1 1 14 14 PHE HB2 H 1 3.119 0.02 . 2 . . . . 14 PHE QB 1 16241 1
169 . 1 1 14 14 PHE HB3 H 1 3.119 0.02 . 2 . . . . 14 PHE QB 1 16241 1
170 . 1 1 14 14 PHE HD1 H 1 7.081 0.02 . 2 . . . . 14 PHE QD 1 16241 1
171 . 1 1 14 14 PHE HD2 H 1 7.081 0.02 . 2 . . . . 14 PHE QD 1 16241 1
172 . 1 1 14 14 PHE HE1 H 1 7.265 0.02 . 2 . . . . 14 PHE QE 1 16241 1
173 . 1 1 14 14 PHE HE2 H 1 7.265 0.02 . 2 . . . . 14 PHE QE 1 16241 1
174 . 1 1 14 14 PHE HZ H 1 7.263 0.02 . 1 . . . . 14 PHE HZ 1 16241 1
175 . 1 1 14 14 PHE CA C 13 60.182 0.2 . 1 . . . . 14 PHE CA 1 16241 1
176 . 1 1 14 14 PHE CB C 13 39.096 0.2 . 1 . . . . 14 PHE CB 1 16241 1
177 . 1 1 14 14 PHE CD1 C 13 131.492 0.2 . 1 . . . . 14 PHE CD1 1 16241 1
178 . 1 1 14 14 PHE CE1 C 13 131.132 0.2 . 1 . . . . 14 PHE CE1 1 16241 1
179 . 1 1 14 14 PHE CZ C 13 129.622 0.2 . 1 . . . . 14 PHE CZ 1 16241 1
180 . 1 1 15 15 TYR H H 1 8.230 0.02 . 1 . . . . 15 TYR H 1 16241 1
181 . 1 1 15 15 TYR HA H 1 4.364 0.02 . 1 . . . . 15 TYR HA 1 16241 1
182 . 1 1 15 15 TYR HB2 H 1 3.189 0.02 . 1 . . . . 15 TYR HB2 1 16241 1
183 . 1 1 15 15 TYR HB3 H 1 3.101 0.02 . 1 . . . . 15 TYR HB3 1 16241 1
184 . 1 1 15 15 TYR HD1 H 1 7.229 0.02 . 3 . . . . 15 TYR QD 1 16241 1
185 . 1 1 15 15 TYR HD2 H 1 7.229 0.02 . 3 . . . . 15 TYR QD 1 16241 1
186 . 1 1 15 15 TYR HE1 H 1 6.885 0.02 . 3 . . . . 15 TYR QE 1 16241 1
187 . 1 1 15 15 TYR HE2 H 1 6.885 0.02 . 3 . . . . 15 TYR QE 1 16241 1
188 . 1 1 15 15 TYR CA C 13 60.249 0.2 . 1 . . . . 15 TYR CA 1 16241 1
189 . 1 1 15 15 TYR CB C 13 38.313 0.2 . 1 . . . . 15 TYR CB 1 16241 1
190 . 1 1 15 15 TYR CD1 C 13 133.002 0.2 . 1 . . . . 15 TYR CD1 1 16241 1
191 . 1 1 15 15 TYR CE1 C 13 118.068 0.2 . 1 . . . . 15 TYR CE1 1 16241 1
192 . 1 1 15 15 TYR CG C 13 130.919 0.2 . 1 . . . . 15 TYR CG 1 16241 1
193 . 1 1 15 15 TYR CZ C 13 157.610 0.2 . 1 . . . . 15 TYR CZ 1 16241 1
194 . 1 1 15 15 TYR N N 15 119.420 0.2 . 1 . . . . 15 TYR N 1 16241 1
195 . 1 1 16 16 ASP H H 1 8.516 0.02 . 1 . . . . 16 ASP H 1 16241 1
196 . 1 1 16 16 ASP HA H 1 4.652 0.02 . 1 . . . . 16 ASP HA 1 16241 1
197 . 1 1 16 16 ASP HB2 H 1 2.945 0.02 . 1 . . . . 16 ASP HB2 1 16241 1
198 . 1 1 16 16 ASP HB3 H 1 3.059 0.02 . 1 . . . . 16 ASP HB3 1 16241 1
199 . 1 1 16 16 ASP CB C 13 37.561 0.2 . 1 . . . . 16 ASP CB 1 16241 1
200 . 1 1 16 16 ASP N N 15 118.037 0.2 . 1 . . . . 16 ASP N 1 16241 1
201 . 1 1 17 17 GLY H H 1 7.858 0.02 . 1 . . . . 17 GLY H 1 16241 1
202 . 1 1 17 17 GLY HA2 H 1 3.971 0.02 . 2 . . . . 17 GLY QA 1 16241 1
203 . 1 1 17 17 GLY HA3 H 1 3.971 0.02 . 2 . . . . 17 GLY QA 1 16241 1
204 . 1 1 17 17 GLY CA C 13 46.025 0.2 . 1 . . . . 17 GLY CA 1 16241 1
205 . 1 1 17 17 GLY N N 15 107.457 0.2 . 1 . . . . 17 GLY N 1 16241 1
206 . 1 1 18 18 GLU H H 1 8.087 0.02 . 1 . . . . 18 GLU H 1 16241 1
207 . 1 1 18 18 GLU HA H 1 4.215 0.02 . 1 . . . . 18 GLU HA 1 16241 1
208 . 1 1 18 18 GLU HB2 H 1 2.061 0.02 . 1 . . . . 18 GLU HB2 1 16241 1
209 . 1 1 18 18 GLU HB3 H 1 2.133 0.02 . 1 . . . . 18 GLU HB3 1 16241 1
210 . 1 1 18 18 GLU HG2 H 1 2.416 0.02 . 2 . . . . 18 GLU QG 1 16241 1
211 . 1 1 18 18 GLU HG3 H 1 2.416 0.02 . 2 . . . . 18 GLU QG 1 16241 1
212 . 1 1 18 18 GLU CB C 13 28.150 0.2 . 1 . . . . 18 GLU CB 1 16241 1
213 . 1 1 18 18 GLU CG C 13 32.511 0.2 . 1 . . . . 18 GLU CG 1 16241 1
214 . 1 1 18 18 GLU N N 15 119.806 0.2 . 1 . . . . 18 GLU N 1 16241 1
215 . 1 1 19 19 ALA H H 1 8.176 0.02 . 1 . . . . 19 ALA H 1 16241 1
216 . 1 1 19 19 ALA HA H 1 4.154 0.02 . 1 . . . . 19 ALA HA 1 16241 1
217 . 1 1 19 19 ALA HB1 H 1 1.368 0.02 . 2 . . . . 19 ALA QB 1 16241 1
218 . 1 1 19 19 ALA HB2 H 1 1.368 0.02 . 2 . . . . 19 ALA QB 1 16241 1
219 . 1 1 19 19 ALA HB3 H 1 1.368 0.02 . 2 . . . . 19 ALA QB 1 16241 1
220 . 1 1 19 19 ALA CA C 13 54.191 0.2 . 1 . . . . 19 ALA CA 1 16241 1
221 . 1 1 19 19 ALA CB C 13 17.953 0.2 . 1 . . . . 19 ALA CB 1 16241 1
222 . 1 1 19 19 ALA N N 15 122.201 0.2 . 1 . . . . 19 ALA N 1 16241 1
223 . 1 1 20 20 GLY H H 1 8.049 0.02 . 1 . . . . 20 GLY H 1 16241 1
224 . 1 1 20 20 GLY HA2 H 1 3.918 0.02 . 2 . . . . 20 GLY QA 1 16241 1
225 . 1 1 20 20 GLY HA3 H 1 3.918 0.02 . 2 . . . . 20 GLY QA 1 16241 1
226 . 1 1 20 20 GLY CA C 13 46.090 0.2 . 1 . . . . 20 GLY CA 1 16241 1
227 . 1 1 20 20 GLY N N 15 104.575 0.2 . 1 . . . . 20 GLY N 1 16241 1
228 . 1 1 21 21 ARG H H 1 7.723 0.02 . 1 . . . . 21 ARG H 1 16241 1
229 . 1 1 21 21 ARG HA H 1 4.289 0.02 . 1 . . . . 21 ARG HA 1 16241 1
230 . 1 1 21 21 ARG HB2 H 1 1.778 0.02 . 1 . . . . 21 ARG HB2 1 16241 1
231 . 1 1 21 21 ARG HB3 H 1 1.916 0.02 . 1 . . . . 21 ARG HB3 1 16241 1
232 . 1 1 21 21 ARG HD2 H 1 3.233 0.02 . 2 . . . . 21 ARG QD 1 16241 1
233 . 1 1 21 21 ARG HD3 H 1 3.233 0.02 . 2 . . . . 21 ARG QD 1 16241 1
234 . 1 1 21 21 ARG HE H 1 7.185 0.02 . 1 . . . . 21 ARG HE 1 16241 1
235 . 1 1 21 21 ARG HG2 H 1 1.678 0.02 . 2 . . . . 21 ARG QG 1 16241 1
236 . 1 1 21 21 ARG HG3 H 1 1.678 0.02 . 2 . . . . 21 ARG QG 1 16241 1
237 . 1 1 21 21 ARG CA C 13 57.263 0.2 . 1 . . . . 21 ARG CA 1 16241 1
238 . 1 1 21 21 ARG CB C 13 30.701 0.2 . 1 . . . . 21 ARG CB 1 16241 1
239 . 1 1 21 21 ARG CD C 13 43.298 0.2 . 1 . . . . 21 ARG CD 1 16241 1
240 . 1 1 21 21 ARG CG C 13 27.175 0.2 . 1 . . . . 21 ARG CG 1 16241 1
241 . 1 1 21 21 ARG N N 15 119.035 0.2 . 1 . . . . 21 ARG N 1 16241 1
242 . 1 1 21 21 ARG NE N 15 120.135 0.2 . 1 . . . . 21 ARG NE 1 16241 1
243 . 1 1 22 22 ALA H H 1 7.954 0.02 . 1 . . . . 22 ALA H 1 16241 1
244 . 1 1 22 22 ALA HA H 1 4.321 0.02 . 1 . . . . 22 ALA HA 1 16241 1
245 . 1 1 22 22 ALA HB1 H 1 1.487 0.02 . 2 . . . . 22 ALA QB 1 16241 1
246 . 1 1 22 22 ALA HB2 H 1 1.487 0.02 . 2 . . . . 22 ALA QB 1 16241 1
247 . 1 1 22 22 ALA HB3 H 1 1.487 0.02 . 2 . . . . 22 ALA QB 1 16241 1
248 . 1 1 22 22 ALA CA C 13 53.247 0.2 . 1 . . . . 22 ALA CA 1 16241 1
249 . 1 1 22 22 ALA CB C 13 18.221 0.2 . 1 . . . . 22 ALA CB 1 16241 1
250 . 1 1 22 22 ALA N N 15 122.098 0.2 . 1 . . . . 22 ALA N 1 16241 1
251 . 1 1 23 23 ILE H H 1 7.705 0.02 . 1 . . . . 23 ILE H 1 16241 1
252 . 1 1 23 23 ILE HA H 1 4.162 0.02 . 1 . . . . 23 ILE HA 1 16241 1
253 . 1 1 23 23 ILE HB H 1 1.944 0.02 . 1 . . . . 23 ILE HB 1 16241 1
254 . 1 1 23 23 ILE HD11 H 1 0.909 0.02 . 2 . . . . 23 ILE QD1 1 16241 1
255 . 1 1 23 23 ILE HD12 H 1 0.909 0.02 . 2 . . . . 23 ILE QD1 1 16241 1
256 . 1 1 23 23 ILE HD13 H 1 0.909 0.02 . 2 . . . . 23 ILE QD1 1 16241 1
257 . 1 1 23 23 ILE HG12 H 1 1.253 0.02 . 1 . . . . 23 ILE HG12 1 16241 1
258 . 1 1 23 23 ILE HG13 H 1 1.580 0.02 . 1 . . . . 23 ILE HG13 1 16241 1
259 . 1 1 23 23 ILE HG21 H 1 0.960 0.02 . 2 . . . . 23 ILE QG2 1 16241 1
260 . 1 1 23 23 ILE HG22 H 1 0.960 0.02 . 2 . . . . 23 ILE QG2 1 16241 1
261 . 1 1 23 23 ILE HG23 H 1 0.960 0.02 . 2 . . . . 23 ILE QG2 1 16241 1
262 . 1 1 23 23 ILE CA C 13 61.798 0.2 . 1 . . . . 23 ILE CA 1 16241 1
263 . 1 1 23 23 ILE CB C 13 38.823 0.2 . 1 . . . . 23 ILE CB 1 16241 1
264 . 1 1 23 23 ILE CD1 C 13 12.552 0.2 . 1 . . . . 23 ILE CD1 1 16241 1
265 . 1 1 23 23 ILE CG1 C 13 27.482 0.2 . 1 . . . . 23 ILE CG1 1 16241 1
266 . 1 1 23 23 ILE CG2 C 13 16.985 0.2 . 1 . . . . 23 ILE CG2 1 16241 1
267 . 1 1 23 23 ILE N N 15 117.111 0.2 . 1 . . . . 23 ILE N 1 16241 1
268 . 1 1 24 24 ARG H H 1 7.926 0.02 . 1 . . . . 24 ARG H 1 16241 1
269 . 1 1 24 24 ARG HA H 1 4.407 0.02 . 1 . . . . 24 ARG HA 1 16241 1
270 . 1 1 24 24 ARG HB2 H 1 1.852 0.02 . 2 . . . . 24 ARG QB 1 16241 1
271 . 1 1 24 24 ARG HB3 H 1 1.852 0.02 . 2 . . . . 24 ARG QB 1 16241 1
272 . 1 1 24 24 ARG HD2 H 1 3.238 0.02 . 2 . . . . 24 ARG QD 1 16241 1
273 . 1 1 24 24 ARG HD3 H 1 3.238 0.02 . 2 . . . . 24 ARG QD 1 16241 1
274 . 1 1 24 24 ARG HE H 1 7.181 0.02 . 1 . . . . 24 ARG HE 1 16241 1
275 . 1 1 24 24 ARG HG2 H 1 1.692 0.02 . 2 . . . . 24 ARG QG 1 16241 1
276 . 1 1 24 24 ARG HG3 H 1 1.692 0.02 . 2 . . . . 24 ARG QG 1 16241 1
277 . 1 1 24 24 ARG CA C 13 55.977 0.2 . 1 . . . . 24 ARG CA 1 16241 1
278 . 1 1 24 24 ARG CB C 13 30.582 0.2 . 1 . . . . 24 ARG CB 1 16241 1
279 . 1 1 24 24 ARG CD C 13 43.296 0.2 . 1 . . . . 24 ARG CD 1 16241 1
280 . 1 1 24 24 ARG CG C 13 27.318 0.2 . 1 . . . . 24 ARG CG 1 16241 1
281 . 1 1 24 24 ARG N N 15 122.716 0.2 . 1 . . . . 24 ARG N 1 16241 1
282 . 1 1 25 25 ARG H H 1 8.118 0.02 . 1 . . . . 25 ARG H 1 16241 1
283 . 1 1 25 25 ARG HA H 1 4.431 0.02 . 1 . . . . 25 ARG HA 1 16241 1
284 . 1 1 25 25 ARG HB2 H 1 1.851 0.02 . 1 . . . . 25 ARG HB2 1 16241 1
285 . 1 1 25 25 ARG HB3 H 1 2.007 0.02 . 1 . . . . 25 ARG HB3 1 16241 1
286 . 1 1 25 25 ARG HD2 H 1 3.240 0.02 . 2 . . . . 25 ARG QD 1 16241 1
287 . 1 1 25 25 ARG HD3 H 1 3.240 0.02 . 2 . . . . 25 ARG QD 1 16241 1
288 . 1 1 25 25 ARG HE H 1 7.191 0.02 . 1 . . . . 25 ARG HE 1 16241 1
289 . 1 1 25 25 ARG HG2 H 1 1.724 0.02 . 2 . . . . 25 ARG QG 1 16241 1
290 . 1 1 25 25 ARG HG3 H 1 1.724 0.02 . 2 . . . . 25 ARG QG 1 16241 1
291 . 1 1 25 25 ARG CA C 13 55.732 0.2 . 1 . . . . 25 ARG CA 1 16241 1
292 . 1 1 25 25 ARG CB C 13 30.576 0.2 . 1 . . . . 25 ARG CB 1 16241 1
293 . 1 1 25 25 ARG CD C 13 43.331 0.2 . 1 . . . . 25 ARG CD 1 16241 1
294 . 1 1 25 25 ARG CG C 13 27.082 0.2 . 1 . . . . 25 ARG CG 1 16241 1
295 . 1 1 25 25 ARG N N 15 121.411 0.2 . 1 . . . . 25 ARG N 1 16241 1
stop_
save_