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 18600
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 11
_Assigned_chem_shift_list.Sample_condition_list_label $507min
_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
16 '3D HCCH-TOCSY' 2 $13C_15N-D2O isotropic 18600 1
18 '2D 1H-13C HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1
19 '2D 1H-13C HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1
20 '2D 1H-15N HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1
21 '2D 1H-15N HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1
22 '2D 1H-15N HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1
23 '2D 1H-15N HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1
24 '2D 1H-15N HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1
25 '2D 1H-15N HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1
26 '2D 1H-15N HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1
27 '2D 1H-15N HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1
28 '2D 1H-15N HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1
29 '2D 1H-15N HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1
30 '2D 1H-15N HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 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 3.989 0.004 . 1 . . . . . 1 GLY HA2 . 18600 1
2 . 1 1 1 1 GLY HA3 H 1 3.989 0.004 . 1 . . . . . 1 GLY HA3 . 18600 1
3 . 1 1 1 1 GLY CA C 13 43.294 0.0 . 1 . . . . . 1 GLY CA . 18600 1
4 . 1 1 2 2 THR HA H 1 4.412 0.005 . 1 . . . . . 2 THR HA . 18600 1
5 . 1 1 2 2 THR HB H 1 4.207 0.002 . 1 . . . . . 2 THR HB . 18600 1
6 . 1 1 2 2 THR HG21 H 1 1.237 0.006 . 1 . . . . . 2 THR HG21 . 18600 1
7 . 1 1 2 2 THR HG22 H 1 1.237 0.006 . 1 . . . . . 2 THR HG22 . 18600 1
8 . 1 1 2 2 THR HG23 H 1 1.237 0.006 . 1 . . . . . 2 THR HG23 . 18600 1
9 . 1 1 2 2 THR CA C 13 62.272 . . 1 . . . . . 2 THR CA . 18600 1
10 . 1 1 2 2 THR CB C 13 69.826 . . 1 . . . . . 2 THR CB . 18600 1
11 . 1 1 2 2 THR CG2 C 13 21.695 0.0 . 1 . . . . . 2 THR CG2 . 18600 1
12 . 1 1 3 3 TYR HA H 1 4.784 0.003 . 1 . . . . . 3 TYR HA . 18600 1
13 . 1 1 3 3 TYR HB2 H 1 3.107 0.003 . 2 . . . . . 3 TYR HB2 . 18600 1
14 . 1 1 3 3 TYR HB3 H 1 3.166 0.004 . 2 . . . . . 3 TYR HB3 . 18600 1
15 . 1 1 3 3 TYR HD1 H 1 7.177 . . 3 . . . . . 3 TYR HD1 . 18600 1
16 . 1 1 3 3 TYR HD2 H 1 7.177 . . 3 . . . . . 3 TYR HD2 . 18600 1
17 . 1 1 3 3 TYR HE1 H 1 6.786 . . 3 . . . . . 3 TYR HE1 . 18600 1
18 . 1 1 3 3 TYR HE2 H 1 6.786 . . 3 . . . . . 3 TYR HE2 . 18600 1
19 . 1 1 3 3 TYR CA C 13 58.150 . . 1 . . . . . 3 TYR CA . 18600 1
20 . 1 1 3 3 TYR CB C 13 39.360 0.002 . 1 . . . . . 3 TYR CB . 18600 1
21 . 1 1 3 3 TYR CD1 C 13 133.182 . . 3 . . . . . 3 TYR CD1 . 18600 1
22 . 1 1 3 3 TYR CD2 C 13 133.182 . . 3 . . . . . 3 TYR CD2 . 18600 1
23 . 1 1 3 3 TYR CE1 C 13 118.284 . . 3 . . . . . 3 TYR CE1 . 18600 1
24 . 1 1 3 3 TYR CE2 C 13 118.284 . . 3 . . . . . 3 TYR CE2 . 18600 1
25 . 1 1 4 4 CYS HA H 1 4.847 0.005 . 1 . . . . . 4 CYS HA . 18600 1
26 . 1 1 4 4 CYS HB2 H 1 3.040 0.004 . 1 . . . . . 4 CYS HB2 . 18600 1
27 . 1 1 4 4 CYS HB3 H 1 3.040 0.004 . 1 . . . . . 4 CYS HB3 . 18600 1
28 . 1 1 4 4 CYS CA C 13 53.469 . . 1 . . . . . 4 CYS CA . 18600 1
29 . 1 1 4 4 CYS CB C 13 42.215 0.0 . 1 . . . . . 4 CYS CB . 18600 1
30 . 1 1 5 5 ILE H H 1 9.043 0.008 . 1 . . . . . 5 ILE H . 18600 1
31 . 1 1 5 5 ILE HA H 1 3.982 0.005 . 1 . . . . . 5 ILE HA . 18600 1
32 . 1 1 5 5 ILE HB H 1 1.808 0.004 . 1 . . . . . 5 ILE HB . 18600 1
33 . 1 1 5 5 ILE HG12 H 1 1.041 0.003 . 2 . . . . . 5 ILE HG12 . 18600 1
34 . 1 1 5 5 ILE HG13 H 1 1.659 0.004 . 2 . . . . . 5 ILE HG13 . 18600 1
35 . 1 1 5 5 ILE HG21 H 1 1.345 0.003 . 1 . . . . . 5 ILE HG21 . 18600 1
36 . 1 1 5 5 ILE HG22 H 1 1.345 0.003 . 1 . . . . . 5 ILE HG22 . 18600 1
37 . 1 1 5 5 ILE HG23 H 1 1.345 0.003 . 1 . . . . . 5 ILE HG23 . 18600 1
38 . 1 1 5 5 ILE HD11 H 1 0.894 0.002 . 1 . . . . . 5 ILE HD11 . 18600 1
39 . 1 1 5 5 ILE HD12 H 1 0.894 0.002 . 1 . . . . . 5 ILE HD12 . 18600 1
40 . 1 1 5 5 ILE HD13 H 1 0.894 0.002 . 1 . . . . . 5 ILE HD13 . 18600 1
41 . 1 1 5 5 ILE CA C 13 63.042 . . 1 . . . . . 5 ILE CA . 18600 1
42 . 1 1 5 5 ILE CB C 13 39.318 0.0 . 1 . . . . . 5 ILE CB . 18600 1
43 . 1 1 5 5 ILE CG1 C 13 27.909 0.011 . 1 . . . . . 5 ILE CG1 . 18600 1
44 . 1 1 5 5 ILE CG2 C 13 20.287 . . 1 . . . . . 5 ILE CG2 . 18600 1
45 . 1 1 5 5 ILE CD1 C 13 15.191 . . 1 . . . . . 5 ILE CD1 . 18600 1
46 . 1 1 5 5 ILE N N 15 121.337 0.045 . 1 . . . . . 5 ILE N . 18600 1
47 . 1 1 6 6 GLU H H 1 8.728 0.017 . 1 . . . . . 6 GLU H . 18600 1
48 . 1 1 6 6 GLU HA H 1 4.194 0.004 . 1 . . . . . 6 GLU HA . 18600 1
49 . 1 1 6 6 GLU HB2 H 1 2.325 0.003 . 2 . . . . . 6 GLU HB2 . 18600 1
50 . 1 1 6 6 GLU HB3 H 1 2.130 0.004 . 2 . . . . . 6 GLU HB3 . 18600 1
51 . 1 1 6 6 GLU HG2 H 1 2.613 0.003 . 2 . . . . . 6 GLU HG2 . 18600 1
52 . 1 1 6 6 GLU HG3 H 1 2.531 0.004 . 2 . . . . . 6 GLU HG3 . 18600 1
53 . 1 1 6 6 GLU CA C 13 56.892 0.0 . 1 . . . . . 6 GLU CA . 18600 1
54 . 1 1 6 6 GLU CB C 13 31.179 0.001 . 1 . . . . . 6 GLU CB . 18600 1
55 . 1 1 6 6 GLU CG C 13 36.713 0.006 . 1 . . . . . 6 GLU CG . 18600 1
56 . 1 1 6 6 GLU N N 15 128.426 0.051 . 1 . . . . . 6 GLU N . 18600 1
57 . 1 1 7 7 LEU H H 1 8.200 . . 1 . . . . . 7 LEU H . 18600 1
58 . 1 1 7 7 LEU HA H 1 3.848 0.005 . 1 . . . . . 7 LEU HA . 18600 1
59 . 1 1 7 7 LEU HB2 H 1 1.539 0.002 . 2 . . . . . 7 LEU HB2 . 18600 1
60 . 1 1 7 7 LEU HB3 H 1 1.624 0.005 . 2 . . . . . 7 LEU HB3 . 18600 1
61 . 1 1 7 7 LEU HG H 1 1.564 0.004 . 1 . . . . . 7 LEU HG . 18600 1
62 . 1 1 7 7 LEU HD11 H 1 0.635 0.003 . 2 . . . . . 7 LEU HD11 . 18600 1
63 . 1 1 7 7 LEU HD12 H 1 0.635 0.003 . 2 . . . . . 7 LEU HD12 . 18600 1
64 . 1 1 7 7 LEU HD13 H 1 0.635 0.003 . 2 . . . . . 7 LEU HD13 . 18600 1
65 . 1 1 7 7 LEU HD21 H 1 0.572 0.002 . 2 . . . . . 7 LEU HD21 . 18600 1
66 . 1 1 7 7 LEU HD22 H 1 0.572 0.002 . 2 . . . . . 7 LEU HD22 . 18600 1
67 . 1 1 7 7 LEU HD23 H 1 0.572 0.002 . 2 . . . . . 7 LEU HD23 . 18600 1
68 . 1 1 7 7 LEU CA C 13 56.537 0.0 . 1 . . . . . 7 LEU CA . 18600 1
69 . 1 1 7 7 LEU CB C 13 42.565 0.0 . 1 . . . . . 7 LEU CB . 18600 1
70 . 1 1 7 7 LEU CG C 13 26.530 0.0 . 1 . . . . . 7 LEU CG . 18600 1
71 . 1 1 7 7 LEU CD1 C 13 25.338 0.0 . 2 . . . . . 7 LEU CD1 . 18600 1
72 . 1 1 7 7 LEU CD2 C 13 24.527 . . 2 . . . . . 7 LEU CD2 . 18600 1
73 . 1 1 7 7 LEU N N 15 119.549 . . 1 . . . . . 7 LEU N . 18600 1
74 . 1 1 8 8 GLY H H 1 9.403 0.001 . 1 . . . . . 8 GLY H . 18600 1
75 . 1 1 8 8 GLY HA2 H 1 3.807 0.004 . 2 . . . . . 8 GLY HA2 . 18600 1
76 . 1 1 8 8 GLY HA3 H 1 4.421 0.004 . 2 . . . . . 8 GLY HA3 . 18600 1
77 . 1 1 8 8 GLY CA C 13 45.223 0.001 . 1 . . . . . 8 GLY CA . 18600 1
78 . 1 1 8 8 GLY N N 15 112.714 0.041 . 1 . . . . . 8 GLY N . 18600 1
79 . 1 1 9 9 GLU H H 1 7.676 0.006 . 1 . . . . . 9 GLU H . 18600 1
80 . 1 1 9 9 GLU HA H 1 4.724 0.004 . 1 . . . . . 9 GLU HA . 18600 1
81 . 1 1 9 9 GLU HB2 H 1 2.309 0.005 . 2 . . . . . 9 GLU HB2 . 18600 1
82 . 1 1 9 9 GLU HB3 H 1 2.356 0.004 . 2 . . . . . 9 GLU HB3 . 18600 1
83 . 1 1 9 9 GLU HG2 H 1 2.210 0.005 . 2 . . . . . 9 GLU HG2 . 18600 1
84 . 1 1 9 9 GLU HG3 H 1 2.554 0.003 . 2 . . . . . 9 GLU HG3 . 18600 1
85 . 1 1 9 9 GLU CA C 13 54.780 0.0 . 1 . . . . . 9 GLU CA . 18600 1
86 . 1 1 9 9 GLU CB C 13 30.852 0.002 . 1 . . . . . 9 GLU CB . 18600 1
87 . 1 1 9 9 GLU CG C 13 36.602 0.009 . 1 . . . . . 9 GLU CG . 18600 1
88 . 1 1 9 9 GLU N N 15 119.069 0.084 . 1 . . . . . 9 GLU N . 18600 1
89 . 1 1 10 10 ARG H H 1 8.649 0.002 . 1 . . . . . 10 ARG H . 18600 1
90 . 1 1 10 10 ARG HA H 1 4.493 0.009 . 1 . . . . . 10 ARG HA . 18600 1
91 . 1 1 10 10 ARG HB2 H 1 1.832 0.002 . 1 . . . . . 10 ARG HB2 . 18600 1
92 . 1 1 10 10 ARG HB3 H 1 1.832 0.002 . 1 . . . . . 10 ARG HB3 . 18600 1
93 . 1 1 10 10 ARG HG2 H 1 1.517 0.002 . 2 . . . . . 10 ARG HG2 . 18600 1
94 . 1 1 10 10 ARG HG3 H 1 1.844 0.002 . 2 . . . . . 10 ARG HG3 . 18600 1
95 . 1 1 10 10 ARG HD2 H 1 3.136 0.01 . 2 . . . . . 10 ARG HD2 . 18600 1
96 . 1 1 10 10 ARG HD3 H 1 3.171 0.009 . 2 . . . . . 10 ARG HD3 . 18600 1
97 . 1 1 10 10 ARG CA C 13 56.156 0.031 . 1 . . . . . 10 ARG CA . 18600 1
98 . 1 1 10 10 ARG CB C 13 31.181 0.002 . 1 . . . . . 10 ARG CB . 18600 1
99 . 1 1 10 10 ARG CG C 13 27.618 0.014 . 1 . . . . . 10 ARG CG . 18600 1
100 . 1 1 10 10 ARG CD C 13 43.273 0.003 . 1 . . . . . 10 ARG CD . 18600 1
101 . 1 1 10 10 ARG N N 15 119.570 0.001 . 1 . . . . . 10 ARG N . 18600 1
102 . 1 1 11 11 CYS H H 1 8.099 0.003 . 1 . . . . . 11 CYS H . 18600 1
103 . 1 1 11 11 CYS HA H 1 5.110 0.004 . 1 . . . . . 11 CYS HA . 18600 1
104 . 1 1 11 11 CYS HB2 H 1 3.034 0.006 . 2 . . . . . 11 CYS HB2 . 18600 1
105 . 1 1 11 11 CYS HB3 H 1 3.552 0.005 . 2 . . . . . 11 CYS HB3 . 18600 1
106 . 1 1 11 11 CYS CA C 13 51.335 . . 1 . . . . . 11 CYS CA . 18600 1
107 . 1 1 11 11 CYS CB C 13 48.475 0.001 . 1 . . . . . 11 CYS CB . 18600 1
108 . 1 1 11 11 CYS N N 15 116.099 0.063 . 1 . . . . . 11 CYS N . 18600 1
109 . 1 1 12 12 PRO HA H 1 4.354 0.004 . 1 . . . . . 12 PRO HA . 18600 1
110 . 1 1 12 12 PRO HB2 H 1 1.715 0.003 . 1 . . . . . 12 PRO HB2 . 18600 1
111 . 1 1 12 12 PRO HB3 H 1 1.715 0.003 . 1 . . . . . 12 PRO HB3 . 18600 1
112 . 1 1 12 12 PRO HG2 H 1 1.610 0.004 . 1 . . . . . 12 PRO HG2 . 18600 1
113 . 1 1 12 12 PRO HG3 H 1 1.610 0.004 . 1 . . . . . 12 PRO HG3 . 18600 1
114 . 1 1 12 12 PRO HD2 H 1 3.494 0.006 . 1 . . . . . 12 PRO HD2 . 18600 1
115 . 1 1 12 12 PRO HD3 H 1 3.494 0.006 . 1 . . . . . 12 PRO HD3 . 18600 1
116 . 1 1 12 12 PRO CA C 13 61.343 0.0 . 1 . . . . . 12 PRO CA . 18600 1
117 . 1 1 12 12 PRO CB C 13 31.648 0.0 . 1 . . . . . 12 PRO CB . 18600 1
118 . 1 1 12 12 PRO CG C 13 26.750 0.001 . 1 . . . . . 12 PRO CG . 18600 1
119 . 1 1 12 12 PRO CD C 13 49.563 . . 1 . . . . . 12 PRO CD . 18600 1
120 . 1 1 13 13 ASN HA H 1 2.759 0.002 . 1 . . . . . 13 ASN HA . 18600 1
121 . 1 1 13 13 ASN HB2 H 1 2.584 0.002 . 2 . . . . . 13 ASN HB2 . 18600 1
122 . 1 1 13 13 ASN HB3 H 1 2.747 0.002 . 2 . . . . . 13 ASN HB3 . 18600 1
123 . 1 1 13 13 ASN CA C 13 50.734 . . 1 . . . . . 13 ASN CA . 18600 1
124 . 1 1 13 13 ASN CB C 13 38.667 0.0 . 1 . . . . . 13 ASN CB . 18600 1
125 . 1 1 14 14 PRO HA H 1 4.502 0.003 . 1 . . . . . 14 PRO HA . 18600 1
126 . 1 1 14 14 PRO HB2 H 1 1.881 0.004 . 2 . . . . . 14 PRO HB2 . 18600 1
127 . 1 1 14 14 PRO HB3 H 1 2.194 0.004 . 2 . . . . . 14 PRO HB3 . 18600 1
128 . 1 1 14 14 PRO HG2 H 1 1.817 0.003 . 2 . . . . . 14 PRO HG2 . 18600 1
129 . 1 1 14 14 PRO HG3 H 1 1.777 0.002 . 2 . . . . . 14 PRO HG3 . 18600 1
130 . 1 1 14 14 PRO HD2 H 1 2.810 0.005 . 2 . . . . . 14 PRO HD2 . 18600 1
131 . 1 1 14 14 PRO HD3 H 1 2.959 0.005 . 2 . . . . . 14 PRO HD3 . 18600 1
132 . 1 1 14 14 PRO CA C 13 63.872 0.0 . 1 . . . . . 14 PRO CA . 18600 1
133 . 1 1 14 14 PRO CB C 13 31.110 0.001 . 1 . . . . . 14 PRO CB . 18600 1
134 . 1 1 14 14 PRO CG C 13 26.198 0.003 . 1 . . . . . 14 PRO CG . 18600 1
135 . 1 1 14 14 PRO CD C 13 51.676 0.001 . 1 . . . . . 14 PRO CD . 18600 1
136 . 1 1 15 15 ARG HA H 1 4.178 0.003 . 1 . . . . . 15 ARG HA . 18600 1
137 . 1 1 15 15 ARG HB2 H 1 1.903 0.002 . 2 . . . . . 15 ARG HB2 . 18600 1
138 . 1 1 15 15 ARG HB3 H 1 1.737 0.003 . 2 . . . . . 15 ARG HB3 . 18600 1
139 . 1 1 15 15 ARG HG2 H 1 1.686 0.004 . 2 . . . . . 15 ARG HG2 . 18600 1
140 . 1 1 15 15 ARG HG3 H 1 1.574 0.003 . 2 . . . . . 15 ARG HG3 . 18600 1
141 . 1 1 15 15 ARG HD2 H 1 3.244 0.003 . 2 . . . . . 15 ARG HD2 . 18600 1
142 . 1 1 15 15 ARG HD3 H 1 3.282 0.003 . 2 . . . . . 15 ARG HD3 . 18600 1
143 . 1 1 15 15 ARG CA C 13 59.012 0.0 . 1 . . . . . 15 ARG CA . 18600 1
144 . 1 1 15 15 ARG CB C 13 29.608 0.0 . 1 . . . . . 15 ARG CB . 18600 1
145 . 1 1 15 15 ARG CG C 13 27.017 0.0 . 1 . . . . . 15 ARG CG . 18600 1
146 . 1 1 15 15 ARG CD C 13 43.420 0.001 . 1 . . . . . 15 ARG CD . 18600 1
147 . 1 1 16 16 GLU HA H 1 4.548 0.004 . 1 . . . . . 16 GLU HA . 18600 1
148 . 1 1 16 16 GLU HB2 H 1 2.102 0.005 . 2 . . . . . 16 GLU HB2 . 18600 1
149 . 1 1 16 16 GLU HB3 H 1 2.535 0.003 . 2 . . . . . 16 GLU HB3 . 18600 1
150 . 1 1 16 16 GLU HG2 H 1 2.324 0.005 . 1 . . . . . 16 GLU HG2 . 18600 1
151 . 1 1 16 16 GLU HG3 H 1 2.324 0.005 . 1 . . . . . 16 GLU HG3 . 18600 1
152 . 1 1 16 16 GLU CA C 13 55.895 . . 1 . . . . . 16 GLU CA . 18600 1
153 . 1 1 16 16 GLU CB C 13 29.855 0.0 . 1 . . . . . 16 GLU CB . 18600 1
154 . 1 1 16 16 GLU CG C 13 37.078 . . 1 . . . . . 16 GLU CG . 18600 1
155 . 1 1 17 17 GLY HA2 H 1 4.147 0.002 . 2 . . . . . 17 GLY HA2 . 18600 1
156 . 1 1 17 17 GLY HA3 H 1 3.442 0.002 . 2 . . . . . 17 GLY HA3 . 18600 1
157 . 1 1 17 17 GLY CA C 13 44.066 0.001 . 1 . . . . . 17 GLY CA . 18600 1
158 . 1 1 18 18 ASP HA H 1 4.901 0.004 . 1 . . . . . 18 ASP HA . 18600 1
159 . 1 1 18 18 ASP HB2 H 1 2.405 0.003 . 2 . . . . . 18 ASP HB2 . 18600 1
160 . 1 1 18 18 ASP HB3 H 1 3.086 0.001 . 2 . . . . . 18 ASP HB3 . 18600 1
161 . 1 1 18 18 ASP CA C 13 53.090 . . 1 . . . . . 18 ASP CA . 18600 1
162 . 1 1 18 18 ASP CB C 13 41.964 0.0 . 1 . . . . . 18 ASP CB . 18600 1
163 . 1 1 19 19 TRP HA H 1 4.646 0.009 . 1 . . . . . 19 TRP HA . 18600 1
164 . 1 1 19 19 TRP HB2 H 1 2.726 0.005 . 2 . . . . . 19 TRP HB2 . 18600 1
165 . 1 1 19 19 TRP HB3 H 1 3.723 0.007 . 2 . . . . . 19 TRP HB3 . 18600 1
166 . 1 1 19 19 TRP HD1 H 1 7.261 . . 1 . . . . . 19 TRP HD1 . 18600 1
167 . 1 1 19 19 TRP HE3 H 1 7.574 . . 1 . . . . . 19 TRP HE3 . 18600 1
168 . 1 1 19 19 TRP HZ2 H 1 7.332 . . 1 . . . . . 19 TRP HZ2 . 18600 1
169 . 1 1 19 19 TRP HZ3 H 1 7.013 . . 1 . . . . . 19 TRP HZ3 . 18600 1
170 . 1 1 19 19 TRP HH2 H 1 7.053 . . 1 . . . . . 19 TRP HH2 . 18600 1
171 . 1 1 19 19 TRP CA C 13 58.172 0.0 . 1 . . . . . 19 TRP CA . 18600 1
172 . 1 1 19 19 TRP CB C 13 30.230 0.037 . 1 . . . . . 19 TRP CB . 18600 1
173 . 1 1 19 19 TRP CD1 C 13 126.927 . . 1 . . . . . 19 TRP CD1 . 18600 1
174 . 1 1 19 19 TRP CE3 C 13 120.849 . . 1 . . . . . 19 TRP CE3 . 18600 1
175 . 1 1 19 19 TRP CZ2 C 13 114.017 . . 1 . . . . . 19 TRP CZ2 . 18600 1
176 . 1 1 19 19 TRP CZ3 C 13 121.796 . . 1 . . . . . 19 TRP CZ3 . 18600 1
177 . 1 1 19 19 TRP CH2 C 13 124.062 . . 1 . . . . . 19 TRP CH2 . 18600 1
178 . 1 1 20 20 CYS HA H 1 4.846 0.006 . 1 . . . . . 20 CYS HA . 18600 1
179 . 1 1 20 20 CYS HB2 H 1 2.940 0.005 . 2 . . . . . 20 CYS HB2 . 18600 1
180 . 1 1 20 20 CYS HB3 H 1 3.128 0.001 . 2 . . . . . 20 CYS HB3 . 18600 1
181 . 1 1 20 20 CYS CA C 13 57.129 0.0 . 1 . . . . . 20 CYS CA . 18600 1
182 . 1 1 20 20 CYS CB C 13 37.732 0.002 . 1 . . . . . 20 CYS CB . 18600 1
183 . 1 1 21 21 CYS HA H 1 4.481 0.003 . 1 . . . . . 21 CYS HA . 18600 1
184 . 1 1 21 21 CYS HB2 H 1 3.041 0.004 . 2 . . . . . 21 CYS HB2 . 18600 1
185 . 1 1 21 21 CYS HB3 H 1 2.858 0.002 . 2 . . . . . 21 CYS HB3 . 18600 1
186 . 1 1 21 21 CYS CA C 13 56.689 . . 1 . . . . . 21 CYS CA . 18600 1
187 . 1 1 21 21 CYS CB C 13 38.259 0.001 . 1 . . . . . 21 CYS CB . 18600 1
188 . 1 1 22 22 HIS HA H 1 4.555 0.002 . 1 . . . . . 22 HIS HA . 18600 1
189 . 1 1 22 22 HIS HB2 H 1 3.548 0.003 . 2 . . . . . 22 HIS HB2 . 18600 1
190 . 1 1 22 22 HIS HB3 H 1 2.636 0.004 . 2 . . . . . 22 HIS HB3 . 18600 1
191 . 1 1 22 22 HIS HD2 H 1 7.072 . . 1 . . . . . 22 HIS HD2 . 18600 1
192 . 1 1 22 22 HIS HE1 H 1 7.811 . . 1 . . . . . 22 HIS HE1 . 18600 1
193 . 1 1 22 22 HIS CA C 13 57.656 0.0 . 1 . . . . . 22 HIS CA . 18600 1
194 . 1 1 22 22 HIS CB C 13 29.224 0.002 . 1 . . . . . 22 HIS CB . 18600 1
195 . 1 1 22 22 HIS CD2 C 13 117.039 . . 1 . . . . . 22 HIS CD2 . 18600 1
196 . 1 1 22 22 HIS CE1 C 13 137.930 . . 1 . . . . . 22 HIS CE1 . 18600 1
197 . 1 1 23 23 LYS H H 1 8.210 0.003 . 1 . . . . . 23 LYS H . 18600 1
198 . 1 1 23 23 LYS HA H 1 5.013 0.004 . 1 . . . . . 23 LYS HA . 18600 1
199 . 1 1 23 23 LYS HB2 H 1 1.885 0.003 . 2 . . . . . 23 LYS HB2 . 18600 1
200 . 1 1 23 23 LYS HB3 H 1 1.829 0.003 . 2 . . . . . 23 LYS HB3 . 18600 1
201 . 1 1 23 23 LYS HG2 H 1 1.395 0.003 . 2 . . . . . 23 LYS HG2 . 18600 1
202 . 1 1 23 23 LYS HG3 H 1 1.537 0.003 . 2 . . . . . 23 LYS HG3 . 18600 1
203 . 1 1 23 23 LYS HD2 H 1 1.716 0.003 . 1 . . . . . 23 LYS HD2 . 18600 1
204 . 1 1 23 23 LYS HD3 H 1 1.716 0.003 . 1 . . . . . 23 LYS HD3 . 18600 1
205 . 1 1 23 23 LYS HE2 H 1 3.096 0.004 . 1 . . . . . 23 LYS HE2 . 18600 1
206 . 1 1 23 23 LYS HE3 H 1 3.096 0.004 . 1 . . . . . 23 LYS HE3 . 18600 1
207 . 1 1 23 23 LYS CA C 13 55.097 . . 1 . . . . . 23 LYS CA . 18600 1
208 . 1 1 23 23 LYS CB C 13 36.885 0.0 . 1 . . . . . 23 LYS CB . 18600 1
209 . 1 1 23 23 LYS CG C 13 25.258 0.001 . 1 . . . . . 23 LYS CG . 18600 1
210 . 1 1 23 23 LYS CD C 13 29.288 0.0 . 1 . . . . . 23 LYS CD . 18600 1
211 . 1 1 23 23 LYS CE C 13 42.114 0.0 . 1 . . . . . 23 LYS CE . 18600 1
212 . 1 1 23 23 LYS N N 15 121.881 0.018 . 1 . . . . . 23 LYS N . 18600 1
213 . 1 1 24 24 CYS HA H 1 5.097 0.003 . 1 . . . . . 24 CYS HA . 18600 1
214 . 1 1 24 24 CYS HB2 H 1 2.691 0.008 . 2 . . . . . 24 CYS HB2 . 18600 1
215 . 1 1 24 24 CYS HB3 H 1 3.848 0.004 . 2 . . . . . 24 CYS HB3 . 18600 1
216 . 1 1 24 24 CYS CA C 13 56.338 . . 1 . . . . . 24 CYS CA . 18600 1
217 . 1 1 24 24 CYS CB C 13 38.747 0.001 . 1 . . . . . 24 CYS CB . 18600 1
218 . 1 1 25 25 VAL H H 1 9.532 0.002 . 1 . . . . . 25 VAL H . 18600 1
219 . 1 1 25 25 VAL HA H 1 5.141 0.005 . 1 . . . . . 25 VAL HA . 18600 1
220 . 1 1 25 25 VAL HB H 1 2.393 0.005 . 1 . . . . . 25 VAL HB . 18600 1
221 . 1 1 25 25 VAL HG11 H 1 1.086 0.004 . 2 . . . . . 25 VAL HG11 . 18600 1
222 . 1 1 25 25 VAL HG12 H 1 1.086 0.004 . 2 . . . . . 25 VAL HG12 . 18600 1
223 . 1 1 25 25 VAL HG13 H 1 1.086 0.004 . 2 . . . . . 25 VAL HG13 . 18600 1
224 . 1 1 25 25 VAL HG21 H 1 1.086 0.005 . 2 . . . . . 25 VAL HG21 . 18600 1
225 . 1 1 25 25 VAL HG22 H 1 1.086 0.005 . 2 . . . . . 25 VAL HG22 . 18600 1
226 . 1 1 25 25 VAL HG23 H 1 1.086 0.005 . 2 . . . . . 25 VAL HG23 . 18600 1
227 . 1 1 25 25 VAL CA C 13 58.788 . . 1 . . . . . 25 VAL CA . 18600 1
228 . 1 1 25 25 VAL CB C 13 34.195 0.0 . 1 . . . . . 25 VAL CB . 18600 1
229 . 1 1 25 25 VAL CG1 C 13 20.681 0.0 . 2 . . . . . 25 VAL CG1 . 18600 1
230 . 1 1 25 25 VAL CG2 C 13 21.267 . . 2 . . . . . 25 VAL CG2 . 18600 1
231 . 1 1 25 25 VAL N N 15 127.547 0.012 . 1 . . . . . 25 VAL N . 18600 1
232 . 1 1 26 26 PRO HA H 1 4.579 0.004 . 1 . . . . . 26 PRO HA . 18600 1
233 . 1 1 26 26 PRO HB2 H 1 1.898 0.002 . 2 . . . . . 26 PRO HB2 . 18600 1
234 . 1 1 26 26 PRO HB3 H 1 2.047 0.002 . 2 . . . . . 26 PRO HB3 . 18600 1
235 . 1 1 26 26 PRO HG2 H 1 2.246 0.003 . 2 . . . . . 26 PRO HG2 . 18600 1
236 . 1 1 26 26 PRO HG3 H 1 2.372 0.003 . 2 . . . . . 26 PRO HG3 . 18600 1
237 . 1 1 26 26 PRO HD2 H 1 4.034 0.005 . 2 . . . . . 26 PRO HD2 . 18600 1
238 . 1 1 26 26 PRO HD3 H 1 4.088 0.004 . 2 . . . . . 26 PRO HD3 . 18600 1
239 . 1 1 26 26 PRO CA C 13 62.420 . . 1 . . . . . 26 PRO CA . 18600 1
240 . 1 1 26 26 PRO CB C 13 32.183 0.0 . 1 . . . . . 26 PRO CB . 18600 1
241 . 1 1 26 26 PRO CG C 13 27.438 0.001 . 1 . . . . . 26 PRO CG . 18600 1
242 . 1 1 26 26 PRO CD C 13 51.173 0.009 . 1 . . . . . 26 PRO CD . 18600 1
243 . 1 1 27 27 GLU H H 1 8.529 0.002 . 1 . . . . . 27 GLU H . 18600 1
244 . 1 1 27 27 GLU HA H 1 4.476 0.003 . 1 . . . . . 27 GLU HA . 18600 1
245 . 1 1 27 27 GLU HB2 H 1 2.044 0.004 . 2 . . . . . 27 GLU HB2 . 18600 1
246 . 1 1 27 27 GLU HB3 H 1 1.948 0.003 . 2 . . . . . 27 GLU HB3 . 18600 1
247 . 1 1 27 27 GLU HG2 H 1 2.258 0.002 . 2 . . . . . 27 GLU HG2 . 18600 1
248 . 1 1 27 27 GLU HG3 H 1 2.365 0.003 . 2 . . . . . 27 GLU HG3 . 18600 1
249 . 1 1 27 27 GLU CA C 13 55.782 0.0 . 1 . . . . . 27 GLU CA . 18600 1
250 . 1 1 27 27 GLU CB C 13 31.589 0.001 . 1 . . . . . 27 GLU CB . 18600 1
251 . 1 1 27 27 GLU CG C 13 36.267 0.001 . 1 . . . . . 27 GLU CG . 18600 1
252 . 1 1 27 27 GLU N N 15 124.220 0.042 . 1 . . . . . 27 GLU N . 18600 1
253 . 1 1 28 28 GLY HA2 H 1 3.740 0.0 . 2 . . . . . 28 GLY HA2 . 18600 1
254 . 1 1 28 28 GLY HA3 H 1 4.095 0.001 . 2 . . . . . 28 GLY HA3 . 18600 1
255 . 1 1 28 28 GLY CA C 13 46.797 0.001 . 1 . . . . . 28 GLY CA . 18600 1
256 . 1 1 29 29 LYS HA H 1 4.371 0.002 . 1 . . . . . 29 LYS HA . 18600 1
257 . 1 1 29 29 LYS HB2 H 1 2.157 0.003 . 2 . . . . . 29 LYS HB2 . 18600 1
258 . 1 1 29 29 LYS HB3 H 1 1.816 0.002 . 2 . . . . . 29 LYS HB3 . 18600 1
259 . 1 1 29 29 LYS HG2 H 1 1.556 0.003 . 1 . . . . . 29 LYS HG2 . 18600 1
260 . 1 1 29 29 LYS HG3 H 1 1.556 0.003 . 1 . . . . . 29 LYS HG3 . 18600 1
261 . 1 1 29 29 LYS HD2 H 1 1.774 0.002 . 1 . . . . . 29 LYS HD2 . 18600 1
262 . 1 1 29 29 LYS HD3 H 1 1.774 0.002 . 1 . . . . . 29 LYS HD3 . 18600 1
263 . 1 1 29 29 LYS HE2 H 1 3.099 0.003 . 1 . . . . . 29 LYS HE2 . 18600 1
264 . 1 1 29 29 LYS HE3 H 1 3.099 0.003 . 1 . . . . . 29 LYS HE3 . 18600 1
265 . 1 1 29 29 LYS CA C 13 56.260 0.0 . 1 . . . . . 29 LYS CA . 18600 1
266 . 1 1 29 29 LYS CB C 13 32.339 0.0 . 1 . . . . . 29 LYS CB . 18600 1
267 . 1 1 29 29 LYS CG C 13 25.061 . . 1 . . . . . 29 LYS CG . 18600 1
268 . 1 1 29 29 LYS CD C 13 28.898 0.0 . 1 . . . . . 29 LYS CD . 18600 1
269 . 1 1 29 29 LYS CE C 13 42.123 . . 1 . . . . . 29 LYS CE . 18600 1
270 . 1 1 30 30 ARG HA H 1 4.633 0.003 . 1 . . . . . 30 ARG HA . 18600 1
271 . 1 1 30 30 ARG HB2 H 1 1.848 0.003 . 2 . . . . . 30 ARG HB2 . 18600 1
272 . 1 1 30 30 ARG HB3 H 1 1.976 0.002 . 2 . . . . . 30 ARG HB3 . 18600 1
273 . 1 1 30 30 ARG HG2 H 1 1.755 0.002 . 2 . . . . . 30 ARG HG2 . 18600 1
274 . 1 1 30 30 ARG HG3 H 1 1.707 0.004 . 2 . . . . . 30 ARG HG3 . 18600 1
275 . 1 1 30 30 ARG HD2 H 1 3.251 0.003 . 2 . . . . . 30 ARG HD2 . 18600 1
276 . 1 1 30 30 ARG HD3 H 1 3.346 0.003 . 2 . . . . . 30 ARG HD3 . 18600 1
277 . 1 1 30 30 ARG CA C 13 54.350 0.0 . 1 . . . . . 30 ARG CA . 18600 1
278 . 1 1 30 30 ARG CB C 13 34.063 0.0 . 1 . . . . . 30 ARG CB . 18600 1
279 . 1 1 30 30 ARG CG C 13 27.847 0.0 . 1 . . . . . 30 ARG CG . 18600 1
280 . 1 1 30 30 ARG CD C 13 43.723 0.002 . 1 . . . . . 30 ARG CD . 18600 1
281 . 1 1 31 31 PHE HA H 1 5.346 0.003 . 1 . . . . . 31 PHE HA . 18600 1
282 . 1 1 31 31 PHE HB2 H 1 3.263 0.002 . 2 . . . . . 31 PHE HB2 . 18600 1
283 . 1 1 31 31 PHE HB3 H 1 3.118 0.003 . 2 . . . . . 31 PHE HB3 . 18600 1
284 . 1 1 31 31 PHE HD1 H 1 7.068 . . 3 . . . . . 31 PHE HD1 . 18600 1
285 . 1 1 31 31 PHE HD2 H 1 7.068 . . 3 . . . . . 31 PHE HD2 . 18600 1
286 . 1 1 31 31 PHE HE1 H 1 7.426 . . 3 . . . . . 31 PHE HE1 . 18600 1
287 . 1 1 31 31 PHE HE2 H 1 7.426 . . 3 . . . . . 31 PHE HE2 . 18600 1
288 . 1 1 31 31 PHE HZ H 1 7.312 . . 1 . . . . . 31 PHE HZ . 18600 1
289 . 1 1 31 31 PHE CA C 13 57.155 . . 1 . . . . . 31 PHE CA . 18600 1
290 . 1 1 31 31 PHE CB C 13 42.199 0.011 . 1 . . . . . 31 PHE CB . 18600 1
291 . 1 1 31 31 PHE CD1 C 13 132.194 . . 3 . . . . . 31 PHE CD1 . 18600 1
292 . 1 1 31 31 PHE CD2 C 13 132.194 . . 3 . . . . . 31 PHE CD2 . 18600 1
293 . 1 1 31 31 PHE CE1 C 13 131.154 . . 3 . . . . . 31 PHE CE1 . 18600 1
294 . 1 1 31 31 PHE CE2 C 13 131.154 . . 3 . . . . . 31 PHE CE2 . 18600 1
295 . 1 1 31 31 PHE CZ C 13 129.590 . . 1 . . . . . 31 PHE CZ . 18600 1
296 . 1 1 32 32 TYR H H 1 9.101 0.002 . 1 . . . . . 32 TYR H . 18600 1
297 . 1 1 32 32 TYR HA H 1 5.197 0.003 . 1 . . . . . 32 TYR HA . 18600 1
298 . 1 1 32 32 TYR HB2 H 1 2.695 0.001 . 2 . . . . . 32 TYR HB2 . 18600 1
299 . 1 1 32 32 TYR HB3 H 1 2.532 0.003 . 2 . . . . . 32 TYR HB3 . 18600 1
300 . 1 1 32 32 TYR HD1 H 1 6.948 . . 3 . . . . . 32 TYR HD1 . 18600 1
301 . 1 1 32 32 TYR HD2 H 1 6.948 . . 3 . . . . . 32 TYR HD2 . 18600 1
302 . 1 1 32 32 TYR HE1 H 1 6.848 . . 3 . . . . . 32 TYR HE1 . 18600 1
303 . 1 1 32 32 TYR HE2 H 1 6.848 . . 3 . . . . . 32 TYR HE2 . 18600 1
304 . 1 1 32 32 TYR CA C 13 57.269 . . 1 . . . . . 32 TYR CA . 18600 1
305 . 1 1 32 32 TYR CB C 13 44.485 0.004 . 1 . . . . . 32 TYR CB . 18600 1
306 . 1 1 32 32 TYR CD1 C 13 133.309 . . 3 . . . . . 32 TYR CD1 . 18600 1
307 . 1 1 32 32 TYR CD2 C 13 133.309 . . 3 . . . . . 32 TYR CD2 . 18600 1
308 . 1 1 32 32 TYR CE1 C 13 117.698 . . 3 . . . . . 32 TYR CE1 . 18600 1
309 . 1 1 32 32 TYR CE2 C 13 117.698 . . 3 . . . . . 32 TYR CE2 . 18600 1
310 . 1 1 32 32 TYR N N 15 119.790 0.022 . 1 . . . . . 32 TYR N . 18600 1
311 . 1 1 33 33 CYS H H 1 8.969 0.004 . 1 . . . . . 33 CYS H . 18600 1
312 . 1 1 33 33 CYS HA H 1 5.710 0.003 . 1 . . . . . 33 CYS HA . 18600 1
313 . 1 1 33 33 CYS HB2 H 1 3.962 0.003 . 2 . . . . . 33 CYS HB2 . 18600 1
314 . 1 1 33 33 CYS HB3 H 1 3.091 0.004 . 2 . . . . . 33 CYS HB3 . 18600 1
315 . 1 1 33 33 CYS CA C 13 52.703 0.004 . 1 . . . . . 33 CYS CA . 18600 1
316 . 1 1 33 33 CYS CB C 13 37.375 0.001 . 1 . . . . . 33 CYS CB . 18600 1
317 . 1 1 33 33 CYS N N 15 119.687 0.056 . 1 . . . . . 33 CYS N . 18600 1
318 . 1 1 34 34 ARG H H 1 10.113 0.003 . 1 . . . . . 34 ARG H . 18600 1
319 . 1 1 34 34 ARG HA H 1 4.813 0.003 . 1 . . . . . 34 ARG HA . 18600 1
320 . 1 1 34 34 ARG HB2 H 1 1.970 0.004 . 2 . . . . . 34 ARG HB2 . 18600 1
321 . 1 1 34 34 ARG HB3 H 1 1.801 0.004 . 2 . . . . . 34 ARG HB3 . 18600 1
322 . 1 1 34 34 ARG HG2 H 1 1.745 0.003 . 2 . . . . . 34 ARG HG2 . 18600 1
323 . 1 1 34 34 ARG HG3 H 1 1.667 0.003 . 2 . . . . . 34 ARG HG3 . 18600 1
324 . 1 1 34 34 ARG HD2 H 1 3.002 0.006 . 2 . . . . . 34 ARG HD2 . 18600 1
325 . 1 1 34 34 ARG HD3 H 1 3.618 0.005 . 2 . . . . . 34 ARG HD3 . 18600 1
326 . 1 1 34 34 ARG CA C 13 53.156 0.0 . 1 . . . . . 34 ARG CA . 18600 1
327 . 1 1 34 34 ARG CB C 13 35.337 0.002 . 1 . . . . . 34 ARG CB . 18600 1
328 . 1 1 34 34 ARG CG C 13 26.350 0.003 . 1 . . . . . 34 ARG CG . 18600 1
329 . 1 1 34 34 ARG CD C 13 43.124 0.0 . 1 . . . . . 34 ARG CD . 18600 1
330 . 1 1 34 34 ARG N N 15 124.503 0.066 . 1 . . . . . 34 ARG N . 18600 1
331 . 1 1 35 35 ASP HA H 1 4.913 0.001 . 1 . . . . . 35 ASP HA . 18600 1
332 . 1 1 35 35 ASP HB2 H 1 2.249 0.002 . 2 . . . . . 35 ASP HB2 . 18600 1
333 . 1 1 35 35 ASP HB3 H 1 2.780 0.002 . 2 . . . . . 35 ASP HB3 . 18600 1
334 . 1 1 35 35 ASP CA C 13 52.828 . . 1 . . . . . 35 ASP CA . 18600 1
335 . 1 1 35 35 ASP CB C 13 39.411 0.0 . 1 . . . . . 35 ASP CB . 18600 1
336 . 1 1 36 36 GLN HA H 1 4.334 0.003 . 1 . . . . . 36 GLN HA . 18600 1
337 . 1 1 36 36 GLN HB2 H 1 1.751 0.004 . 2 . . . . . 36 GLN HB2 . 18600 1
338 . 1 1 36 36 GLN HB3 H 1 2.300 0.003 . 2 . . . . . 36 GLN HB3 . 18600 1
339 . 1 1 36 36 GLN HG2 H 1 2.224 0.002 . 2 . . . . . 36 GLN HG2 . 18600 1
340 . 1 1 36 36 GLN HG3 H 1 2.385 0.002 . 2 . . . . . 36 GLN HG3 . 18600 1
341 . 1 1 36 36 GLN CA C 13 56.302 0.0 . 1 . . . . . 36 GLN CA . 18600 1
342 . 1 1 36 36 GLN CB C 13 32.187 0.0 . 1 . . . . . 36 GLN CB . 18600 1
343 . 1 1 36 36 GLN CG C 13 34.528 0.002 . 1 . . . . . 36 GLN CG . 18600 1
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