Content for NMR-STAR saveframe, "assigned_chemical_shifts_13C"
save_assigned_chemical_shifts_13C
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_13C
_Assigned_chem_shift_list.Entry_ID 15153
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Standard
_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 '3D CBCA(CO)NH' . . . 15153 1
2 '3D CBCANH' . . . 15153 1
6 '3D 1H-13C NOESY' . . . 15153 1
7 '3D 1H-13C TOCSY' . . . 15153 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 $TOPSPIN . . 15153 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.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 GLY HA2 H 1 3.604 0.052 . 1 . . . . . 1 GLY HA1 . 15153 1
2 . 1 1 1 1 GLY CA C 13 40.956 0.200 . 1 . . . . . 1 GLY CA . 15153 1
3 . 1 1 2 2 ALA HA H 1 4.083 0.050 . 1 . . . . . 2 ALA HA . 15153 1
4 . 1 1 2 2 ALA HB1 H 1 1.098 0.050 . 1 . . . . . 2 ALA QB . 15153 1
5 . 1 1 2 2 ALA HB2 H 1 1.098 0.050 . 1 . . . . . 2 ALA QB . 15153 1
6 . 1 1 2 2 ALA HB3 H 1 1.098 0.050 . 1 . . . . . 2 ALA QB . 15153 1
7 . 1 1 2 2 ALA CA C 13 50.369 0.200 . 1 . . . . . 2 ALA CA . 15153 1
8 . 1 1 2 2 ALA CB C 13 16.773 0.200 . 1 . . . . . 2 ALA CB . 15153 1
9 . 1 1 3 3 MET HA H 1 4.374 0.051 . 1 . . . . . 3 MET HA . 15153 1
10 . 1 1 3 3 MET HB2 H 1 1.859 0.050 . 1 . . . . . 3 MET HB2 . 15153 1
11 . 1 1 3 3 MET HB3 H 1 1.759 0.050 . 1 . . . . . 3 MET HB3 . 15153 1
12 . 1 1 3 3 MET HG2 H 1 2.391 0.050 . 1 . . . . . 3 MET HG2 . 15153 1
13 . 1 1 3 3 MET HG3 H 1 2.310 0.050 . 1 . . . . . 3 MET HG3 . 15153 1
14 . 1 1 3 3 MET CA C 13 52.827 0.200 . 1 . . . . . 3 MET CA . 15153 1
15 . 1 1 3 3 MET CB C 13 31.800 0.200 . 1 . . . . . 3 MET CB . 15153 1
16 . 1 1 3 3 MET CG C 13 29.900 0.200 . 1 . . . . . 3 MET CG . 15153 1
17 . 1 1 4 4 GLY HA2 H 1 3.889 0.053 . 2 . . . . . 4 GLY HA1 . 15153 1
18 . 1 1 4 4 GLY CA C 13 42.556 0.200 . 1 . . . . . 4 GLY CA . 15153 1
19 . 1 1 5 5 PRO HA H 1 4.284 0.050 . 1 . . . . . 5 PRO HA . 15153 1
20 . 1 1 5 5 PRO HB2 H 1 2.084 0.050 . 1 . . . . . 5 PRO HB2 . 15153 1
21 . 1 1 5 5 PRO HB3 H 1 1.718 0.051 . 1 . . . . . 5 PRO HB3 . 15153 1
22 . 1 1 5 5 PRO HG2 H 1 1.804 0.051 . 1 . . . . . 5 PRO HG2 . 15153 1
23 . 1 1 5 5 PRO HG3 H 1 1.745 0.050 . 1 . . . . . 5 PRO HG3 . 15153 1
24 . 1 1 5 5 PRO HD2 H 1 3.390 0.052 . 1 . . . . . 5 PRO HD2 . 15153 1
25 . 1 1 5 5 PRO CA C 13 60.221 0.200 . 1 . . . . . 5 PRO CA . 15153 1
26 . 1 1 5 5 PRO CB C 13 29.786 0.200 . 1 . . . . . 5 PRO CB . 15153 1
27 . 1 1 5 5 PRO CG C 13 24.686 0.200 . 1 . . . . . 5 PRO CG . 15153 1
28 . 1 1 5 5 PRO CD C 13 47.511 0.200 . 1 . . . . . 5 PRO CD . 15153 1
29 . 1 1 6 6 LEU HA H 1 3.971 0.054 . 1 . . . . . 6 LEU HA . 15153 1
30 . 1 1 6 6 LEU HB2 H 1 1.610 0.051 . 1 . . . . . 6 LEU HB2 . 15153 1
31 . 1 1 6 6 LEU HB3 H 1 1.232 0.053 . 1 . . . . . 6 LEU HB3 . 15153 1
32 . 1 1 6 6 LEU HG H 1 0.863 0.050 . 1 . . . . . 6 LEU HG . 15153 1
33 . 1 1 6 6 LEU HD11 H 1 0.607 0.050 . 2 . . . . . 6 LEU HD12 . 15153 1
34 . 1 1 6 6 LEU HD12 H 1 0.607 0.050 . 2 . . . . . 6 LEU HD12 . 15153 1
35 . 1 1 6 6 LEU HD13 H 1 0.607 0.050 . 2 . . . . . 6 LEU HD12 . 15153 1
36 . 1 1 6 6 LEU HD21 H 1 0.607 0.050 . 2 . . . . . 6 LEU HD12 . 15153 1
37 . 1 1 6 6 LEU HD22 H 1 0.607 0.050 . 2 . . . . . 6 LEU HD12 . 15153 1
38 . 1 1 6 6 LEU HD23 H 1 0.607 0.050 . 2 . . . . . 6 LEU HD12 . 15153 1
39 . 1 1 6 6 LEU CA C 13 51.915 0.200 . 1 . . . . . 6 LEU CA . 15153 1
40 . 1 1 6 6 LEU CB C 13 39.253 0.200 . 1 . . . . . 6 LEU CB . 15153 1
41 . 1 1 6 6 LEU CG C 13 24.389 0.200 . 1 . . . . . 6 LEU CG . 15153 1
42 . 1 1 6 6 LEU CD1 C 13 21.911 0.200 . 1 . . . . . 6 LEU CD1 . 15153 1
43 . 1 1 7 7 PRO HA H 1 4.617 0.050 . 1 . . . . . 7 PRO HA . 15153 1
44 . 1 1 7 7 PRO HB2 H 1 2.454 0.057 . 1 . . . . . 7 PRO HB2 . 15153 1
45 . 1 1 7 7 PRO HB3 H 1 1.866 0.050 . 1 . . . . . 7 PRO HB3 . 15153 1
46 . 1 1 7 7 PRO HG2 H 1 1.748 0.050 . 1 . . . . . 7 PRO HG2 . 15153 1
47 . 1 1 7 7 PRO HG3 H 1 1.547 0.060 . 1 . . . . . 7 PRO HG3 . 15153 1
48 . 1 1 7 7 PRO HD2 H 1 3.355 0.064 . 1 . . . . . 7 PRO HD2 . 15153 1
49 . 1 1 7 7 PRO HD3 H 1 2.830 0.061 . 1 . . . . . 7 PRO HD3 . 15153 1
50 . 1 1 7 7 PRO CA C 13 59.897 0.200 . 1 . . . . . 7 PRO CA . 15153 1
51 . 1 1 7 7 PRO CB C 13 27.692 0.200 . 1 . . . . . 7 PRO CB . 15153 1
52 . 1 1 7 7 PRO CG C 13 25.765 0.200 . 1 . . . . . 7 PRO CG . 15153 1
53 . 1 1 7 7 PRO CD C 13 48.061 0.200 . 1 . . . . . 7 PRO CD . 15153 1
54 . 1 1 8 8 PRO HA H 1 4.167 0.054 . 1 . . . . . 8 PRO HA . 15153 1
55 . 1 1 8 8 PRO HB2 H 1 2.164 0.062 . 1 . . . . . 8 PRO HB2 . 15153 1
56 . 1 1 8 8 PRO HB3 H 1 1.715 0.050 . 1 . . . . . 8 PRO HB3 . 15153 1
57 . 1 1 8 8 PRO HG2 H 1 1.938 0.050 . 1 . . . . . 8 PRO HG2 . 15153 1
58 . 1 1 8 8 PRO HG3 H 1 1.856 0.050 . 1 . . . . . 8 PRO HG3 . 15153 1
59 . 1 1 8 8 PRO HD2 H 1 3.720 0.051 . 1 . . . . . 8 PRO HD2 . 15153 1
60 . 1 1 8 8 PRO HD3 H 1 3.432 0.050 . 1 . . . . . 8 PRO HD3 . 15153 1
61 . 1 1 8 8 PRO CA C 13 62.318 0.200 . 1 . . . . . 8 PRO CA . 15153 1
62 . 1 1 8 8 PRO CB C 13 29.974 0.200 . 1 . . . . . 8 PRO CB . 15153 1
63 . 1 1 8 8 PRO CG C 13 25.765 0.200 . 1 . . . . . 8 PRO CG . 15153 1
64 . 1 1 8 8 PRO CD C 13 49.162 0.200 . 1 . . . . . 8 PRO CD . 15153 1
65 . 1 1 9 9 GLY HA2 H 1 3.973 0.050 . 1 . . . . . 9 GLY HA1 . 15153 1
66 . 1 1 9 9 GLY HA3 H 1 3.293 0.050 . 1 . . . . . 9 GLY HA2 . 15153 1
67 . 1 1 9 9 GLY CA C 13 42.894 0.050 . 1 . . . . . 9 GLY CA . 15153 1
68 . 1 1 10 10 TRP HA H 1 5.159 0.051 . 1 . . . . . 10 TRP HA . 15153 1
69 . 1 1 10 10 TRP HB2 H 1 3.111 0.053 . 1 . . . . . 10 TRP HB2 . 15153 1
70 . 1 1 10 10 TRP HB3 H 1 2.790 0.053 . 1 . . . . . 10 TRP HB3 . 15153 1
71 . 1 1 10 10 TRP HD1 H 1 6.851 0.066 . 1 . . . . . 10 TRP HD1 . 15153 1
72 . 1 1 10 10 TRP HE3 H 1 7.202 0.059 . 1 . . . . . 10 TRP HE3 . 15153 1
73 . 1 1 10 10 TRP HZ2 H 1 7.289 0.050 . 1 . . . . . 10 TRP HZ2 . 15153 1
74 . 1 1 10 10 TRP HZ3 H 1 6.661 0.050 . 1 . . . . . 10 TRP HZ3 . 15153 1
75 . 1 1 10 10 TRP HH2 H 1 6.852 0.054 . 1 . . . . . 10 TRP HH2 . 15153 1
76 . 1 1 10 10 TRP CA C 13 55.109 0.200 . 1 . . . . . 10 TRP CA . 15153 1
77 . 1 1 10 10 TRP CB C 13 29.887 0.200 . 1 . . . . . 10 TRP CB . 15153 1
78 . 1 1 10 10 TRP CD1 C 13 126.601 0.200 . 1 . . . . . 10 TRP CD1 . 15153 1
79 . 1 1 10 10 TRP CE3 C 13 119.529 0.200 . 1 . . . . . 10 TRP CE3 . 15153 1
80 . 1 1 10 10 TRP CZ2 C 13 114.225 0.200 . 1 . . . . . 10 TRP CZ2 . 15153 1
81 . 1 1 10 10 TRP CZ3 C 13 121.297 0.200 . 1 . . . . . 10 TRP CZ3 . 15153 1
82 . 1 1 10 10 TRP CH2 C 13 124.833 0.200 . 1 . . . . . 10 TRP CH2 . 15153 1
83 . 1 1 11 11 GLU HA H 1 4.496 0.052 . 1 . . . . . 11 GLU HA . 15153 1
84 . 1 1 11 11 GLU HB2 H 1 1.819 0.061 . 1 . . . . . 11 GLU HB2 . 15153 1
85 . 1 1 11 11 GLU HG2 H 1 2.156 0.057 . 1 . . . . . 11 GLU HG2 . 15153 1
86 . 1 1 11 11 GLU HG3 H 1 2.011 0.050 . 1 . . . . . 11 GLU HG3 . 15153 1
87 . 1 1 11 11 GLU CA C 13 52.924 0.200 . 1 . . . . . 11 GLU CA . 15153 1
88 . 1 1 11 11 GLU CB C 13 32.371 0.200 . 1 . . . . . 11 GLU CB . 15153 1
89 . 1 1 11 11 GLU CG C 13 33.831 0.200 . 1 . . . . . 11 GLU CG . 15153 1
90 . 1 1 12 12 LYS HA H 1 4.260 0.057 . 1 . . . . . 12 LYS HA . 15153 1
91 . 1 1 12 12 LYS HB2 H 1 1.527 0.050 . 1 . . . . . 12 LYS HB2 . 15153 1
92 . 1 1 12 12 LYS HB3 H 1 1.361 0.050 . 1 . . . . . 12 LYS HB3 . 15153 1
93 . 1 1 12 12 LYS HG2 H 1 0.759 0.050 . 1 . . . . . 12 LYS HG2 . 15153 1
94 . 1 1 12 12 LYS HG3 H 1 0.689 0.050 . 1 . . . . . 12 LYS HG3 . 15153 1
95 . 1 1 12 12 LYS HD2 H 1 1.467 0.055 . 1 . . . . . 12 LYS HD2 . 15153 1
96 . 1 1 12 12 LYS HD3 H 1 1.375 0.050 . 1 . . . . . 12 LYS HD3 . 15153 1
97 . 1 1 12 12 LYS HE2 H 1 2.668 0.053 . 1 . . . . . 12 LYS HE2 . 15153 1
98 . 1 1 12 12 LYS CA C 13 53.667 0.200 . 1 . . . . . 12 LYS CA . 15153 1
99 . 1 1 12 12 LYS CB C 13 32.003 0.200 . 1 . . . . . 12 LYS CB . 15153 1
100 . 1 1 12 12 LYS CG C 13 22.136 0.200 . 1 . . . . . 12 LYS CG . 15153 1
101 . 1 1 12 12 LYS CD C 13 27.692 0.200 . 1 . . . . . 12 LYS CD . 15153 1
102 . 1 1 12 12 LYS CE C 13 39.528 0.200 . 1 . . . . . 12 LYS CE . 15153 1
103 . 1 1 13 13 ARG HA H 1 4.235 0.051 . 1 . . . . . 13 ARG HA . 15153 1
104 . 1 1 13 13 ARG HB2 H 1 1.148 0.050 . 1 . . . . . 13 ARG HB2 . 15153 1
105 . 1 1 13 13 ARG HB3 H 1 -0.215 0.050 . 1 . . . . . 13 ARG HB3 . 15153 1
106 . 1 1 13 13 ARG HG2 H 1 1.096 0.052 . 1 . . . . . 13 ARG HG2 . 15153 1
107 . 1 1 13 13 ARG HG3 H 1 0.910 0.066 . 1 . . . . . 13 ARG HG3 . 15153 1
108 . 1 1 13 13 ARG HD2 H 1 2.850 0.050 . 1 . . . . . 13 ARG HD2 . 15153 1
109 . 1 1 13 13 ARG HD3 H 1 2.757 0.050 . 1 . . . . . 13 ARG HD3 . 15153 1
110 . 1 1 13 13 ARG CA C 13 51.937 0.200 . 1 . . . . . 13 ARG CA . 15153 1
111 . 1 1 13 13 ARG CB C 13 31.867 0.200 . 1 . . . . . 13 ARG CB . 15153 1
112 . 1 1 13 13 ARG CG C 13 26.040 0.200 . 1 . . . . . 13 ARG CG . 15153 1
113 . 1 1 13 13 ARG CD C 13 40.796 0.200 . 1 . . . . . 13 ARG CD . 15153 1
114 . 1 1 14 14 THR HA H 1 4.905 0.053 . 1 . . . . . 14 THR HA . 15153 1
115 . 1 1 14 14 THR HB H 1 3.628 0.050 . 1 . . . . . 14 THR HB . 15153 1
116 . 1 1 14 14 THR HG21 H 1 0.958 0.051 . 1 . . . . . 14 THR QG2 . 15153 1
117 . 1 1 14 14 THR HG22 H 1 0.958 0.051 . 1 . . . . . 14 THR QG2 . 15153 1
118 . 1 1 14 14 THR HG23 H 1 0.958 0.051 . 1 . . . . . 14 THR QG2 . 15153 1
119 . 1 1 14 14 THR CA C 13 58.598 0.200 . 1 . . . . . 14 THR CA . 15153 1
120 . 1 1 14 14 THR CB C 13 68.500 0.200 . 1 . . . . . 14 THR CB . 15153 1
121 . 1 1 14 14 THR CG2 C 13 19.212 0.200 . 1 . . . . . 14 THR CG2 . 15153 1
122 . 1 1 15 15 ASP HA H 1 4.764 0.051 . 1 . . . . . 15 ASP HA . 15153 1
123 . 1 1 15 15 ASP HB2 H 1 3.311 0.051 . 1 . . . . . 15 ASP HB2 . 15153 1
124 . 1 1 15 15 ASP HB3 H 1 2.661 0.050 . 1 . . . . . 15 ASP HB3 . 15153 1
125 . 1 1 15 15 ASP CA C 13 50.012 0.200 . 1 . . . . . 15 ASP CA . 15153 1
126 . 1 1 15 15 ASP CB C 13 39.277 0.200 . 1 . . . . . 15 ASP CB . 15153 1
127 . 1 1 16 16 SER HA H 1 4.034 0.051 . 1 . . . . . 16 SER HA . 15153 1
128 . 1 1 16 16 SER HB2 H 1 3.807 0.050 . 1 . . . . . 16 SER HB2 . 15153 1
129 . 1 1 16 16 SER HB3 H 1 3.738 0.050 . 1 . . . . . 16 SER HB3 . 15153 1
130 . 1 1 16 16 SER CA C 13 58.796 0.200 . 1 . . . . . 16 SER CA . 15153 1
131 . 1 1 16 16 SER CB C 13 60.998 0.200 . 1 . . . . . 16 SER CB . 15153 1
132 . 1 1 17 17 ASN HA H 1 4.763 0.051 . 1 . . . . . 17 ASN HA . 15153 1
133 . 1 1 17 17 ASN HB2 H 1 2.793 0.052 . 1 . . . . . 17 ASN HB2 . 15153 1
134 . 1 1 17 17 ASN HB3 H 1 2.627 0.050 . 1 . . . . . 17 ASN HB3 . 15153 1
135 . 1 1 17 17 ASN CA C 13 50.601 0.200 . 1 . . . . . 17 ASN CA . 15153 1
136 . 1 1 17 17 ASN CB C 13 37.601 0.200 . 1 . . . . . 17 ASN CB . 15153 1
137 . 1 1 18 18 GLY HA2 H 1 4.030 0.051 . 1 . . . . . 18 GLY HA1 . 15153 1
138 . 1 1 18 18 GLY HA3 H 1 3.385 0.051 . 1 . . . . . 18 GLY HA2 . 15153 1
139 . 1 1 18 18 GLY CA C 13 43.291 0.200 . 1 . . . . . 18 GLY CA . 15153 1
140 . 1 1 19 19 ARG HA H 1 4.236 0.050 . 1 . . . . . 19 ARG HA . 15153 1
141 . 1 1 19 19 ARG HB2 H 1 1.886 0.050 . 1 . . . . . 19 ARG HB2 . 15153 1
142 . 1 1 19 19 ARG HB3 H 1 1.733 0.050 . 1 . . . . . 19 ARG HB3 . 15153 1
143 . 1 1 19 19 ARG HG2 H 1 1.531 0.059 . 1 . . . . . 19 ARG HG2 . 15153 1
144 . 1 1 19 19 ARG HG3 H 1 1.466 0.074 . 1 . . . . . 19 ARG HG3 . 15153 1
145 . 1 1 19 19 ARG HD2 H 1 2.651 0.050 . 1 . . . . . 19 ARG HD2 . 15153 1
146 . 1 1 19 19 ARG HD3 H 1 2.541 0.050 . 1 . . . . . 19 ARG HD3 . 15153 1
147 . 1 1 19 19 ARG CA C 13 54.328 0.201 . 1 . . . . . 19 ARG CA . 15153 1
148 . 1 1 19 19 ARG CB C 13 28.695 0.200 . 1 . . . . . 19 ARG CB . 15153 1
149 . 1 1 19 19 ARG CG C 13 25.400 0.200 . 1 . . . . . 19 ARG CG . 15153 1
150 . 1 1 19 19 ARG CD C 13 41.318 0.200 . 1 . . . . . 19 ARG CD . 15153 1
151 . 1 1 20 20 VAL HA H 1 4.500 0.053 . 1 . . . . . 20 VAL HA . 15153 1
152 . 1 1 20 20 VAL HB H 1 1.714 0.053 . 1 . . . . . 20 VAL HB . 15153 1
153 . 1 1 20 20 VAL HG11 H 1 0.799 0.051 . 1 . . . . . 20 VAL QG1 . 15153 1
154 . 1 1 20 20 VAL HG12 H 1 0.799 0.051 . 1 . . . . . 20 VAL QG1 . 15153 1
155 . 1 1 20 20 VAL HG13 H 1 0.799 0.051 . 1 . . . . . 20 VAL QG1 . 15153 1
156 . 1 1 20 20 VAL HG21 H 1 0.494 0.065 . 1 . . . . . 20 VAL QG2 . 15153 1
157 . 1 1 20 20 VAL HG22 H 1 0.494 0.065 . 1 . . . . . 20 VAL QG2 . 15153 1
158 . 1 1 20 20 VAL HG23 H 1 0.494 0.065 . 1 . . . . . 20 VAL QG2 . 15153 1
159 . 1 1 20 20 VAL CA C 13 59.727 0.200 . 1 . . . . . 20 VAL CA . 15153 1
160 . 1 1 20 20 VAL CB C 13 30.720 0.200 . 1 . . . . . 20 VAL CB . 15153 1
161 . 1 1 20 20 VAL CG1 C 13 19.997 0.200 . 1 . . . . . 20 VAL CG1 . 15153 1
162 . 1 1 21 21 TYR HA H 1 4.619 0.051 . 1 . . . . . 21 TYR HA . 15153 1
163 . 1 1 21 21 TYR HB2 H 1 2.585 0.062 . 1 . . . . . 21 TYR HB2 . 15153 1
164 . 1 1 21 21 TYR HB3 H 1 2.151 0.059 . 1 . . . . . 21 TYR HB3 . 15153 1
165 . 1 1 21 21 TYR HD1 H 1 6.602 0.058 . 2 . . . . . 21 TYR QD . 15153 1
166 . 1 1 21 21 TYR HD2 H 1 6.602 0.058 . 2 . . . . . 21 TYR QD . 15153 1
167 . 1 1 21 21 TYR HE1 H 1 6.116 0.057 . 2 . . . . . 21 TYR QE . 15153 1
168 . 1 1 21 21 TYR HE2 H 1 6.116 0.057 . 2 . . . . . 21 TYR QE . 15153 1
169 . 1 1 21 21 TYR CA C 13 53.830 0.200 . 1 . . . . . 21 TYR CA . 15153 1
170 . 1 1 21 21 TYR CB C 13 37.317 0.200 . 1 . . . . . 21 TYR CB . 15153 1
171 . 1 1 21 21 TYR CD1 C 13 133.673 0.200 . 1 . . . . . 21 TYR CD1 . 15153 1
172 . 1 1 21 21 TYR CE1 C 13 116.582 0.200 . 1 . . . . . 21 TYR CE1 . 15153 1
173 . 1 1 22 22 PHE HA H 1 5.282 0.056 . 1 . . . . . 22 PHE HA . 15153 1
174 . 1 1 22 22 PHE HB2 H 1 2.906 0.051 . 1 . . . . . 22 PHE HB2 . 15153 1
175 . 1 1 22 22 PHE HB3 H 1 2.607 0.050 . 1 . . . . . 22 PHE HB3 . 15153 1
176 . 1 1 22 22 PHE HD1 H 1 6.740 0.062 . 2 . . . . . 22 PHE QD . 15153 1
177 . 1 1 22 22 PHE HD2 H 1 6.740 0.062 . 2 . . . . . 22 PHE QD . 15153 1
178 . 1 1 22 22 PHE HE1 H 1 7.004 0.069 . 1 . . . . . 22 PHE QE . 15153 1
179 . 1 1 22 22 PHE HE2 H 1 7.004 0.069 . 1 . . . . . 22 PHE QE . 15153 1
180 . 1 1 22 22 PHE HZ H 1 7.064 0.051 . 1 . . . . . 22 PHE HZ . 15153 1
181 . 1 1 22 22 PHE CA C 13 54.596 0.200 . 1 . . . . . 22 PHE CA . 15153 1
182 . 1 1 22 22 PHE CB C 13 40.780 0.200 . 1 . . . . . 22 PHE CB . 15153 1
183 . 1 1 22 22 PHE CD1 C 13 132.494 0.200 . 1 . . . . . 22 PHE CD1 . 15153 1
184 . 1 1 22 22 PHE CE1 C 13 129.548 0.200 . 4 . . . . . 22 PHE CE1 . 15153 1
185 . 1 1 22 22 PHE CZ C 13 129.548 0.050 . 4 . . . . . 22 PHE CZ . 15153 1
186 . 1 1 23 23 VAL HA H 1 4.970 0.051 . 1 . . . . . 23 VAL HA . 15153 1
187 . 1 1 23 23 VAL HB H 1 1.607 0.051 . 1 . . . . . 23 VAL HB . 15153 1
188 . 1 1 23 23 VAL HG11 H 1 0.550 0.066 . 1 . . . . . 23 VAL QG1 . 15153 1
189 . 1 1 23 23 VAL HG12 H 1 0.550 0.066 . 1 . . . . . 23 VAL QG1 . 15153 1
190 . 1 1 23 23 VAL HG13 H 1 0.550 0.066 . 1 . . . . . 23 VAL QG1 . 15153 1
191 . 1 1 23 23 VAL HG21 H 1 0.432 0.050 . 1 . . . . . 23 VAL QG2 . 15153 1
192 . 1 1 23 23 VAL HG22 H 1 0.432 0.050 . 1 . . . . . 23 VAL QG2 . 15153 1
193 . 1 1 23 23 VAL HG23 H 1 0.432 0.050 . 1 . . . . . 23 VAL QG2 . 15153 1
194 . 1 1 23 23 VAL CA C 13 57.140 0.200 . 1 . . . . . 23 VAL CA . 15153 1
195 . 1 1 23 23 VAL CB C 13 33.516 0.200 . 1 . . . . . 23 VAL CB . 15153 1
196 . 1 1 23 23 VAL CG1 C 13 18.864 0.200 . 1 . . . . . 23 VAL CG1 . 15153 1
197 . 1 1 23 23 VAL CG2 C 13 17.645 0.200 . 1 . . . . . 23 VAL CG2 . 15153 1
198 . 1 1 24 24 ASN HA H 1 4.176 0.050 . 1 . . . . . 24 ASN HA . 15153 1
199 . 1 1 24 24 ASN HB2 H 1 2.048 0.051 . 1 . . . . . 24 ASN HB2 . 15153 1
200 . 1 1 24 24 ASN HB3 H 1 -0.584 0.072 . 1 . . . . . 24 ASN HB3 . 15153 1
201 . 1 1 24 24 ASN CA C 13 48.662 0.200 . 1 . . . . . 24 ASN CA . 15153 1
202 . 1 1 24 24 ASN CB C 13 35.319 0.200 . 1 . . . . . 24 ASN CB . 15153 1
203 . 1 1 25 25 HIS HA H 1 4.092 0.057 . 1 . . . . . 25 HIS HA . 15153 1
204 . 1 1 25 25 HIS HB2 H 1 2.937 0.050 . 1 . . . . . 25 HIS HB2 . 15153 1
205 . 1 1 25 25 HIS HD2 H 1 6.928 0.057 . 1 . . . . . 25 HIS HD2 . 15153 1
206 . 1 1 25 25 HIS CA C 13 55.549 0.200 . 1 . . . . . 25 HIS CA . 15153 1
207 . 1 1 25 25 HIS CB C 13 26.553 0.200 . 1 . . . . . 25 HIS CB . 15153 1
208 . 1 1 26 26 ASN HA H 1 4.422 0.056 . 1 . . . . . 26 ASN HA . 15153 1
209 . 1 1 26 26 ASN HB2 H 1 2.782 0.051 . 1 . . . . . 26 ASN HB2 . 15153 1
210 . 1 1 26 26 ASN HB3 H 1 2.581 0.050 . 1 . . . . . 26 ASN HB3 . 15153 1
211 . 1 1 26 26 ASN CA C 13 53.238 0.200 . 1 . . . . . 26 ASN CA . 15153 1
212 . 1 1 26 26 ASN CB C 13 36.013 0.200 . 1 . . . . . 26 ASN CB . 15153 1
213 . 1 1 27 27 THR HA H 1 3.979 0.071 . 1 . . . . . 27 THR HA . 15153 1
214 . 1 1 27 27 THR HB H 1 4.030 0.050 . 1 . . . . . 27 THR HB . 15153 1
215 . 1 1 27 27 THR HG21 H 1 0.805 0.052 . 1 . . . . . 27 THR QG2 . 15153 1
216 . 1 1 27 27 THR HG22 H 1 0.805 0.052 . 1 . . . . . 27 THR QG2 . 15153 1
217 . 1 1 27 27 THR HG23 H 1 0.805 0.052 . 1 . . . . . 27 THR QG2 . 15153 1
218 . 1 1 27 27 THR CA C 13 59.622 0.200 . 1 . . . . . 27 THR CA . 15153 1
219 . 1 1 27 27 THR CB C 13 67.054 0.200 . 1 . . . . . 27 THR CB . 15153 1
220 . 1 1 27 27 THR CG2 C 13 19.299 0.200 . 1 . . . . . 27 THR CG2 . 15153 1
221 . 1 1 28 28 ARG HA H 1 3.582 0.050 . 1 . . . . . 28 ARG HA . 15153 1
222 . 1 1 28 28 ARG HB2 H 1 1.902 0.050 . 1 . . . . . 28 ARG HB2 . 15153 1
223 . 1 1 28 28 ARG HB3 H 1 1.727 0.050 . 1 . . . . . 28 ARG HB3 . 15153 1
224 . 1 1 28 28 ARG HG2 H 1 1.248 0.050 . 1 . . . . . 28 ARG HG2 . 15153 1
225 . 1 1 28 28 ARG HD2 H 1 2.955 0.050 . 1 . . . . . 28 ARG HD2 . 15153 1
226 . 1 1 28 28 ARG HD3 H 1 2.898 0.050 . 1 . . . . . 28 ARG HD3 . 15153 1
227 . 1 1 28 28 ARG CA C 13 55.454 0.200 . 1 . . . . . 28 ARG CA . 15153 1
228 . 1 1 28 28 ARG CB C 13 24.114 0.200 . 1 . . . . . 28 ARG CB . 15153 1
229 . 1 1 28 28 ARG CG C 13 25.739 0.200 . 1 . . . . . 28 ARG CG . 15153 1
230 . 1 1 28 28 ARG CD C 13 40.883 0.200 . 1 . . . . . 28 ARG CD . 15153 1
231 . 1 1 29 29 ILE HA H 1 4.120 0.051 . 1 . . . . . 29 ILE HA . 15153 1
232 . 1 1 29 29 ILE HB H 1 1.390 0.050 . 1 . . . . . 29 ILE HB . 15153 1
233 . 1 1 29 29 ILE HG12 H 1 1.190 0.050 . 1 . . . . . 29 ILE HG12 . 15153 1
234 . 1 1 29 29 ILE HG13 H 1 0.964 0.050 . 1 . . . . . 29 ILE HG13 . 15153 1
235 . 1 1 29 29 ILE HG21 H 1 0.778 0.063 . 1 . . . . . 29 ILE QG2 . 15153 1
236 . 1 1 29 29 ILE HG22 H 1 0.778 0.063 . 1 . . . . . 29 ILE QG2 . 15153 1
237 . 1 1 29 29 ILE HG23 H 1 0.778 0.063 . 1 . . . . . 29 ILE QG2 . 15153 1
238 . 1 1 29 29 ILE HD11 H 1 0.650 0.051 . 1 . . . . . 29 ILE QD1 . 15153 1
239 . 1 1 29 29 ILE HD12 H 1 0.650 0.051 . 1 . . . . . 29 ILE QD1 . 15153 1
240 . 1 1 29 29 ILE HD13 H 1 0.650 0.051 . 1 . . . . . 29 ILE QD1 . 15153 1
241 . 1 1 29 29 ILE CA C 13 58.081 0.200 . 1 . . . . . 29 ILE CA . 15153 1
242 . 1 1 29 29 ILE CB C 13 37.368 0.200 . 1 . . . . . 29 ILE CB . 15153 1
243 . 1 1 29 29 ILE CG1 C 13 24.869 0.200 . 1 . . . . . 29 ILE CG1 . 15153 1
244 . 1 1 29 29 ILE CG2 C 13 15.905 0.200 . 1 . . . . . 29 ILE CG2 . 15153 1
245 . 1 1 29 29 ILE CD1 C 13 9.900 0.200 . 1 . . . . . 29 ILE CD1 . 15153 1
246 . 1 1 30 30 THR HA H 1 5.161 0.057 . 1 . . . . . 30 THR HA . 15153 1
247 . 1 1 30 30 THR HB H 1 3.637 0.050 . 1 . . . . . 30 THR HB . 15153 1
248 . 1 1 30 30 THR HG21 H 1 0.789 0.056 . 1 . . . . . 30 THR QG2 . 15153 1
249 . 1 1 30 30 THR HG22 H 1 0.789 0.056 . 1 . . . . . 30 THR QG2 . 15153 1
250 . 1 1 30 30 THR HG23 H 1 0.789 0.056 . 1 . . . . . 30 THR QG2 . 15153 1
251 . 1 1 30 30 THR CA C 13 58.796 0.200 . 1 . . . . . 30 THR CA . 15153 1
252 . 1 1 30 30 THR CB C 13 68.700 0.200 . 1 . . . . . 30 THR CB . 15153 1
253 . 1 1 30 30 THR CG2 C 13 19.212 0.200 . 1 . . . . . 30 THR CG2 . 15153 1
254 . 1 1 31 31 GLN HA H 1 4.728 0.000 . 1 . . . . . 31 GLN HA . 15153 1
255 . 1 1 31 31 GLN HB2 H 1 2.142 0.059 . 1 . . . . . 31 GLN HB2 . 15153 1
256 . 1 1 31 31 GLN HB3 H 1 2.084 0.050 . 1 . . . . . 31 GLN HB3 . 15153 1
257 . 1 1 31 31 GLN HG2 H 1 2.455 0.058 . 1 . . . . . 31 GLN HG2 . 15153 1
258 . 1 1 31 31 GLN CA C 13 51.980 0.200 . 1 . . . . . 31 GLN CA . 15153 1
259 . 1 1 31 31 GLN CB C 13 30.169 0.200 . 1 . . . . . 31 GLN CB . 15153 1
260 . 1 1 32 32 TRP HA H 1 4.782 0.050 . 1 . . . . . 32 TRP HA . 15153 1
261 . 1 1 32 32 TRP HB2 H 1 3.393 0.050 . 1 . . . . . 32 TRP HB2 . 15153 1
262 . 1 1 32 32 TRP HB3 H 1 2.924 0.056 . 1 . . . . . 32 TRP HB3 . 15153 1
263 . 1 1 32 32 TRP HD1 H 1 7.249 0.050 . 1 . . . . . 32 TRP HD1 . 15153 1
264 . 1 1 32 32 TRP HE3 H 1 7.945 0.057 . 1 . . . . . 32 TRP HE3 . 15153 1
265 . 1 1 32 32 TRP HZ2 H 1 7.115 0.051 . 1 . . . . . 32 TRP HZ2 . 15153 1
266 . 1 1 32 32 TRP HZ3 H 1 6.699 0.051 . 1 . . . . . 32 TRP HZ3 . 15153 1
267 . 1 1 32 32 TRP HH2 H 1 6.977 0.050 . 1 . . . . . 32 TRP HH2 . 15153 1
268 . 1 1 32 32 TRP CA C 13 56.264 0.200 . 1 . . . . . 32 TRP CA . 15153 1
269 . 1 1 32 32 TRP CB C 13 28.066 0.200 . 1 . . . . . 32 TRP CB . 15153 1
270 . 1 1 32 32 TRP CD1 C 13 127.190 0.200 . 1 . . . . . 32 TRP CD1 . 15153 1
271 . 1 1 32 32 TRP CE3 C 13 121.297 0.200 . 1 . . . . . 32 TRP CE3 . 15153 1
272 . 1 1 32 32 TRP CZ2 C 13 115.046 0.200 . 1 . . . . . 32 TRP CZ2 . 15153 1
273 . 1 1 32 32 TRP CZ3 C 13 123.297 0.200 . 1 . . . . . 32 TRP CZ3 . 15153 1
274 . 1 1 32 32 TRP CH2 C 13 47.654 0.200 . 1 . . . . . 32 TRP CH2 . 15153 1
275 . 1 1 33 33 GLU HA H 1 4.019 0.050 . 1 . . . . . 33 GLU HA . 15153 1
276 . 1 1 33 33 GLU HB2 H 1 1.703 0.051 . 1 . . . . . 33 GLU HB2 . 15153 1
277 . 1 1 33 33 GLU HB3 H 1 1.530 0.051 . 1 . . . . . 33 GLU HB3 . 15153 1
278 . 1 1 33 33 GLU HG2 H 1 2.169 0.051 . 1 . . . . . 33 GLU HG2 . 15153 1
279 . 1 1 33 33 GLU HG3 H 1 1.974 0.050 . 1 . . . . . 33 GLU HG3 . 15153 1
280 . 1 1 33 33 GLU CA C 13 55.054 0.200 . 1 . . . . . 33 GLU CA . 15153 1
281 . 1 1 33 33 GLU CB C 13 27.300 0.200 . 1 . . . . . 33 GLU CB . 15153 1
282 . 1 1 33 33 GLU CG C 13 34.181 0.200 . 1 . . . . . 33 GLU CG . 15153 1
283 . 1 1 34 34 ASP HA H 1 2.694 0.062 . 1 . . . . . 34 ASP HA . 15153 1
284 . 1 1 34 34 ASP HB2 H 1 2.426 0.051 . 1 . . . . . 34 ASP HB2 . 15153 1
285 . 1 1 34 34 ASP HB3 H 1 2.010 0.050 . 1 . . . . . 34 ASP HB3 . 15153 1
286 . 1 1 34 34 ASP CA C 13 49.162 0.200 . 1 . . . . . 34 ASP CA . 15153 1
287 . 1 1 34 34 ASP CB C 13 39.803 0.200 . 1 . . . . . 34 ASP CB . 15153 1
288 . 1 1 35 35 PRO HA H 1 3.712 0.050 . 1 . . . . . 35 PRO HA . 15153 1
289 . 1 1 35 35 PRO HB2 H 1 0.550 0.051 . 1 . . . . . 35 PRO HB2 . 15153 1
290 . 1 1 35 35 PRO HB3 H 1 0.287 0.059 . 1 . . . . . 35 PRO HB3 . 15153 1
291 . 1 1 35 35 PRO HG2 H 1 0.282 0.050 . 1 . . . . . 35 PRO HG2 . 15153 1
292 . 1 1 35 35 PRO HG3 H 1 0.071 0.050 . 1 . . . . . 35 PRO HG3 . 15153 1
293 . 1 1 35 35 PRO HD2 H 1 2.216 0.050 . 1 . . . . . 35 PRO HD2 . 15153 1
294 . 1 1 35 35 PRO HD3 H 1 2.041 0.050 . 1 . . . . . 35 PRO HD3 . 15153 1
295 . 1 1 35 35 PRO CA C 13 60.700 0.200 . 1 . . . . . 35 PRO CA . 15153 1
296 . 1 1 35 35 PRO CB C 13 28.469 0.200 . 1 . . . . . 35 PRO CB . 15153 1
297 . 1 1 35 35 PRO CG C 13 24.390 0.200 . 1 . . . . . 35 PRO CG . 15153 1
298 . 1 1 35 35 PRO CD C 13 47.224 0.200 . 1 . . . . . 35 PRO CD . 15153 1
299 . 1 1 36 36 ARG HA H 1 3.798 0.050 . 1 . . . . . 36 ARG HA . 15153 1
300 . 1 1 36 36 ARG HB2 H 1 1.632 0.050 . 1 . . . . . 36 ARG HB2 . 15153 1
301 . 1 1 36 36 ARG HB3 H 1 1.389 0.050 . 1 . . . . . 36 ARG HB3 . 15153 1
302 . 1 1 36 36 ARG HG2 H 1 1.537 0.051 . 1 . . . . . 36 ARG HG2 . 15153 1
303 . 1 1 36 36 ARG HG3 H 1 0.972 0.050 . 1 . . . . . 36 ARG HG3 . 15153 1
304 . 1 1 36 36 ARG HD2 H 1 2.651 0.050 . 1 . . . . . 36 ARG HD2 . 15153 1
305 . 1 1 36 36 ARG HD3 H 1 2.610 0.050 . 1 . . . . . 36 ARG HD3 . 15153 1
306 . 1 1 36 36 ARG CA C 13 54.248 0.200 . 1 . . . . . 36 ARG CA . 15153 1
307 . 1 1 36 36 ARG CB C 13 28.111 0.200 . 1 . . . . . 36 ARG CB . 15153 1
308 . 1 1 36 36 ARG CG C 13 24.600 0.200 . 1 . . . . . 36 ARG CG . 15153 1
309 . 1 1 36 36 ARG CD C 13 41.057 0.200 . 1 . . . . . 36 ARG CD . 15153 1
310 . 1 1 37 37 SER HA H 1 3.881 0.050 . 1 . . . . . 37 SER HA . 15153 1
311 . 1 1 37 37 SER HB2 H 1 3.569 0.050 . 1 . . . . . 37 SER HB2 . 15153 1
312 . 1 1 37 37 SER CA C 13 58.521 0.200 . 1 . . . . . 37 SER CA . 15153 1
313 . 1 1 37 37 SER CB C 13 62.925 0.200 . 1 . . . . . 37 SER CB . 15153 1
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