Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30522
_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 $chem_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 '1D 1H' . . . 30522 1
2 '2D 1H-1H TOCSY' . . . 30522 1
3 '2D 1H-1H NOESY' . . . 30522 1
4 '2D 1H-15N HSQC' . . . 30522 1
5 '2D 1H-13C HSQC' . . . 30522 1
6 'E. COSY' . . . 30522 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 ASP HA H 1 4.396 0.004 . . . . . . A 1 ASP HA . 30522 1
2 . 1 1 1 1 ASP HB2 H 1 2.823 0.006 . . . . . . A 1 ASP HB2 . 30522 1
3 . 1 1 1 1 ASP HB3 H 1 2.932 0.001 . . . . . . A 1 ASP HB3 . 30522 1
4 . 1 1 1 1 ASP CA C 13 52.849 0.000 . . . . . . A 1 ASP CA . 30522 1
5 . 1 1 1 1 ASP CB C 13 39.224 0.012 . . . . . . A 1 ASP CB . 30522 1
6 . 1 1 2 2 CYS H H 1 8.687 0.002 . . . . . . A 2 CYS H . 30522 1
7 . 1 1 2 2 CYS HA H 1 4.975 0.004 . . . . . . A 2 CYS HA . 30522 1
8 . 1 1 2 2 CYS HB2 H 1 3.197 0.002 . . . . . . A 2 CYS HB2 . 30522 1
9 . 1 1 2 2 CYS HB3 H 1 3.329 0.002 . . . . . . A 2 CYS HB3 . 30522 1
10 . 1 1 2 2 CYS CA C 13 54.631 0.000 . . . . . . A 2 CYS CA . 30522 1
11 . 1 1 2 2 CYS CB C 13 44.070 0.023 . . . . . . A 2 CYS CB . 30522 1
12 . 1 1 2 2 CYS N N 15 116.923 0.000 . . . . . . A 2 CYS N . 30522 1
13 . 1 1 3 3 LEU H H 1 8.676 0.003 . . . . . . A 3 LEU H . 30522 1
14 . 1 1 3 3 LEU HA H 1 4.307 0.002 . . . . . . A 3 LEU HA . 30522 1
15 . 1 1 3 3 LEU HB2 H 1 1.358 0.003 . . . . . . A 3 LEU HB2 . 30522 1
16 . 1 1 3 3 LEU HB3 H 1 1.777 0.003 . . . . . . A 3 LEU HB3 . 30522 1
17 . 1 1 3 3 LEU HG H 1 1.566 0.003 . . . . . . A 3 LEU HG . 30522 1
18 . 1 1 3 3 LEU HD11 H 1 0.944 0.003 . . . . . . A 3 LEU HD11 . 30522 1
19 . 1 1 3 3 LEU HD12 H 1 0.944 0.003 . . . . . . A 3 LEU HD12 . 30522 1
20 . 1 1 3 3 LEU HD13 H 1 0.944 0.003 . . . . . . A 3 LEU HD13 . 30522 1
21 . 1 1 3 3 LEU HD21 H 1 0.843 0.003 . . . . . . A 3 LEU HD21 . 30522 1
22 . 1 1 3 3 LEU HD22 H 1 0.843 0.003 . . . . . . A 3 LEU HD22 . 30522 1
23 . 1 1 3 3 LEU HD23 H 1 0.843 0.003 . . . . . . A 3 LEU HD23 . 30522 1
24 . 1 1 3 3 LEU CA C 13 54.512 0.000 . . . . . . A 3 LEU CA . 30522 1
25 . 1 1 3 3 LEU CB C 13 44.804 0.000 . . . . . . A 3 LEU CB . 30522 1
26 . 1 1 3 3 LEU CG C 13 26.130 0.000 . . . . . . A 3 LEU CG . 30522 1
27 . 1 1 3 3 LEU CD1 C 13 26.247 0.000 . . . . . . A 3 LEU CD1 . 30522 1
28 . 1 1 3 3 LEU CD2 C 13 22.207 0.000 . . . . . . A 3 LEU CD2 . 30522 1
29 . 1 1 3 3 LEU N N 15 120.093 0.000 . . . . . . A 3 LEU N . 30522 1
30 . 1 1 4 4 GLY H H 1 7.990 0.003 . . . . . . A 4 GLY H . 30522 1
31 . 1 1 4 4 GLY HA2 H 1 4.044 0.002 . . . . . . A 4 GLY HA2 . 30522 1
32 . 1 1 4 4 GLY HA3 H 1 3.590 0.003 . . . . . . A 4 GLY HA3 . 30522 1
33 . 1 1 4 4 GLY CA C 13 42.863 0.025 . . . . . . A 4 GLY CA . 30522 1
34 . 1 1 4 4 GLY N N 15 107.119 0.000 . . . . . . A 4 GLY N . 30522 1
35 . 1 1 5 5 ALA H H 1 8.021 0.002 . . . . . . A 5 ALA H . 30522 1
36 . 1 1 5 5 ALA HA H 1 3.176 0.003 . . . . . . A 5 ALA HA . 30522 1
37 . 1 1 5 5 ALA HB1 H 1 0.884 0.003 . . . . . . A 5 ALA HB1 . 30522 1
38 . 1 1 5 5 ALA HB2 H 1 0.884 0.003 . . . . . . A 5 ALA HB2 . 30522 1
39 . 1 1 5 5 ALA HB3 H 1 0.884 0.003 . . . . . . A 5 ALA HB3 . 30522 1
40 . 1 1 5 5 ALA CA C 13 53.877 0.000 . . . . . . A 5 ALA CA . 30522 1
41 . 1 1 5 5 ALA CB C 13 17.727 0.000 . . . . . . A 5 ALA CB . 30522 1
42 . 1 1 5 5 ALA N N 15 119.137 0.000 . . . . . . A 5 ALA N . 30522 1
43 . 1 1 6 6 PHE H H 1 8.965 0.002 . . . . . . A 6 PHE H . 30522 1
44 . 1 1 6 6 PHE HA H 1 3.509 0.003 . . . . . . A 6 PHE HA . 30522 1
45 . 1 1 6 6 PHE HB2 H 1 2.845 0.002 . . . . . . A 6 PHE HB2 . 30522 1
46 . 1 1 6 6 PHE HB3 H 1 3.051 0.004 . . . . . . A 6 PHE HB3 . 30522 1
47 . 1 1 6 6 PHE HD1 H 1 6.296 0.002 . . . . . . A 6 PHE HD1 . 30522 1
48 . 1 1 6 6 PHE HD2 H 1 6.296 0.002 . . . . . . A 6 PHE HD2 . 30522 1
49 . 1 1 6 6 PHE HE1 H 1 7.233 0.003 . . . . . . A 6 PHE HE1 . 30522 1
50 . 1 1 6 6 PHE HE2 H 1 7.233 0.003 . . . . . . A 6 PHE HE2 . 30522 1
51 . 1 1 6 6 PHE CA C 13 59.975 0.000 . . . . . . A 6 PHE CA . 30522 1
52 . 1 1 6 6 PHE CB C 13 35.534 0.013 . . . . . . A 6 PHE CB . 30522 1
53 . 1 1 6 6 PHE N N 15 113.846 0.000 . . . . . . A 6 PHE N . 30522 1
54 . 1 1 7 7 ARG H H 1 7.580 0.002 . . . . . . A 7 ARG H . 30522 1
55 . 1 1 7 7 ARG HA H 1 4.438 0.001 . . . . . . A 7 ARG HA . 30522 1
56 . 1 1 7 7 ARG HB2 H 1 1.895 0.005 . . . . . . A 7 ARG HB2 . 30522 1
57 . 1 1 7 7 ARG HB3 H 1 1.971 0.007 . . . . . . A 7 ARG HB3 . 30522 1
58 . 1 1 7 7 ARG HG2 H 1 1.463 0.003 . . . . . . A 7 ARG HG2 . 30522 1
59 . 1 1 7 7 ARG HG3 H 1 1.756 0.002 . . . . . . A 7 ARG HG3 . 30522 1
60 . 1 1 7 7 ARG HD2 H 1 3.227 0.006 . . . . . . A 7 ARG HD2 . 30522 1
61 . 1 1 7 7 ARG HD3 H 1 3.227 0.006 . . . . . . A 7 ARG HD3 . 30522 1
62 . 1 1 7 7 ARG HE H 1 7.280 0.004 . . . . . . A 7 ARG HE . 30522 1
63 . 1 1 7 7 ARG CA C 13 54.385 0.000 . . . . . . A 7 ARG CA . 30522 1
64 . 1 1 7 7 ARG CB C 13 30.234 0.012 . . . . . . A 7 ARG CB . 30522 1
65 . 1 1 7 7 ARG CG C 13 26.786 0.012 . . . . . . A 7 ARG CG . 30522 1
66 . 1 1 7 7 ARG CD C 13 42.808 0.000 . . . . . . A 7 ARG CD . 30522 1
67 . 1 1 7 7 ARG N N 15 119.927 0.000 . . . . . . A 7 ARG N . 30522 1
68 . 1 1 8 8 LYS H H 1 8.544 0.002 . . . . . . A 8 LYS H . 30522 1
69 . 1 1 8 8 LYS HA H 1 4.821 0.004 . . . . . . A 8 LYS HA . 30522 1
70 . 1 1 8 8 LYS HB2 H 1 1.930 0.003 . . . . . . A 8 LYS HB2 . 30522 1
71 . 1 1 8 8 LYS HB3 H 1 1.930 0.003 . . . . . . A 8 LYS HB3 . 30522 1
72 . 1 1 8 8 LYS HG2 H 1 1.679 0.002 . . . . . . A 8 LYS HG2 . 30522 1
73 . 1 1 8 8 LYS HG3 H 1 1.819 0.003 . . . . . . A 8 LYS HG3 . 30522 1
74 . 1 1 8 8 LYS HE2 H 1 3.164 0.000 . . . . . . A 8 LYS HE2 . 30522 1
75 . 1 1 8 8 LYS HE3 H 1 3.164 0.000 . . . . . . A 8 LYS HE3 . 30522 1
76 . 1 1 8 8 LYS HZ1 H 1 7.652 0.004 . . . . . . A 8 LYS HZ1 . 30522 1
77 . 1 1 8 8 LYS HZ2 H 1 7.652 0.004 . . . . . . A 8 LYS HZ2 . 30522 1
78 . 1 1 8 8 LYS HZ3 H 1 7.652 0.004 . . . . . . A 8 LYS HZ3 . 30522 1
79 . 1 1 8 8 LYS CA C 13 57.169 0.000 . . . . . . A 8 LYS CA . 30522 1
80 . 1 1 8 8 LYS CB C 13 32.082 0.000 . . . . . . A 8 LYS CB . 30522 1
81 . 1 1 8 8 LYS CG C 13 24.876 0.015 . . . . . . A 8 LYS CG . 30522 1
82 . 1 1 8 8 LYS CD C 13 28.872 0.000 . . . . . . A 8 LYS CD . 30522 1
83 . 1 1 8 8 LYS N N 15 121.770 0.000 . . . . . . A 8 LYS N . 30522 1
84 . 1 1 8 8 LYS NZ N 15 124.166 0.000 . . . . . . A 8 LYS NZ . 30522 1
85 . 1 1 9 9 CYS H H 1 8.215 0.002 . . . . . . A 9 CYS H . 30522 1
86 . 1 1 9 9 CYS HA H 1 4.903 0.003 . . . . . . A 9 CYS HA . 30522 1
87 . 1 1 9 9 CYS HB2 H 1 2.928 0.003 . . . . . . A 9 CYS HB2 . 30522 1
88 . 1 1 9 9 CYS HB3 H 1 3.096 0.004 . . . . . . A 9 CYS HB3 . 30522 1
89 . 1 1 9 9 CYS CA C 13 53.491 0.000 . . . . . . A 9 CYS CA . 30522 1
90 . 1 1 9 9 CYS CB C 13 46.344 0.000 . . . . . . A 9 CYS CB . 30522 1
91 . 1 1 9 9 CYS N N 15 118.699 0.000 . . . . . . A 9 CYS N . 30522 1
92 . 1 1 10 10 ILE H H 1 9.003 0.003 . . . . . . A 10 ILE H . 30522 1
93 . 1 1 10 10 ILE HA H 1 4.506 0.003 . . . . . . A 10 ILE HA . 30522 1
94 . 1 1 10 10 ILE HB H 1 1.871 0.003 . . . . . . A 10 ILE HB . 30522 1
95 . 1 1 10 10 ILE HG12 H 1 1.129 0.004 . . . . . . A 10 ILE HG12 . 30522 1
96 . 1 1 10 10 ILE HG13 H 1 1.548 0.001 . . . . . . A 10 ILE HG13 . 30522 1
97 . 1 1 10 10 ILE HD11 H 1 0.891 0.001 . . . . . . A 10 ILE HD11 . 30522 1
98 . 1 1 10 10 ILE HD12 H 1 0.891 0.001 . . . . . . A 10 ILE HD12 . 30522 1
99 . 1 1 10 10 ILE HD13 H 1 0.891 0.001 . . . . . . A 10 ILE HD13 . 30522 1
100 . 1 1 10 10 ILE CA C 13 57.086 0.000 . . . . . . A 10 ILE CA . 30522 1
101 . 1 1 10 10 ILE CB C 13 39.104 0.000 . . . . . . A 10 ILE CB . 30522 1
102 . 1 1 10 10 ILE CG1 C 13 26.862 0.000 . . . . . . A 10 ILE CG1 . 30522 1
103 . 1 1 10 10 ILE CD1 C 13 20.928 0.000 . . . . . . A 10 ILE CD1 . 30522 1
104 . 1 1 10 10 ILE N N 15 122.753 0.000 . . . . . . A 10 ILE N . 30522 1
105 . 1 1 11 11 PRO HA H 1 3.697 0.003 . . . . . . A 11 PRO HA . 30522 1
106 . 1 1 11 11 PRO HB2 H 1 1.920 0.003 . . . . . . A 11 PRO HB2 . 30522 1
107 . 1 1 11 11 PRO HB3 H 1 2.113 0.001 . . . . . . A 11 PRO HB3 . 30522 1
108 . 1 1 11 11 PRO HG2 H 1 1.756 0.003 . . . . . . A 11 PRO HG2 . 30522 1
109 . 1 1 11 11 PRO HG3 H 1 2.107 0.005 . . . . . . A 11 PRO HG3 . 30522 1
110 . 1 1 11 11 PRO HD2 H 1 3.854 0.008 . . . . . . A 11 PRO HD2 . 30522 1
111 . 1 1 11 11 PRO HD3 H 1 3.905 0.007 . . . . . . A 11 PRO HD3 . 30522 1
112 . 1 1 11 11 PRO CA C 13 66.350 0.000 . . . . . . A 11 PRO CA . 30522 1
113 . 1 1 11 11 PRO CB C 13 31.700 0.017 . . . . . . A 11 PRO CB . 30522 1
114 . 1 1 11 11 PRO CG C 13 27.975 0.034 . . . . . . A 11 PRO CG . 30522 1
115 . 1 1 11 11 PRO CD C 13 50.596 0.019 . . . . . . A 11 PRO CD . 30522 1
116 . 1 1 12 12 ASP H H 1 8.075 0.001 . . . . . . A 12 ASP H . 30522 1
117 . 1 1 12 12 ASP HA H 1 4.686 0.004 . . . . . . A 12 ASP HA . 30522 1
118 . 1 1 12 12 ASP HB2 H 1 2.734 0.004 . . . . . . A 12 ASP HB2 . 30522 1
119 . 1 1 12 12 ASP HB3 H 1 2.858 0.002 . . . . . . A 12 ASP HB3 . 30522 1
120 . 1 1 12 12 ASP CA C 13 53.453 0.000 . . . . . . A 12 ASP CA . 30522 1
121 . 1 1 12 12 ASP CB C 13 38.526 0.000 . . . . . . A 12 ASP CB . 30522 1
122 . 1 1 12 12 ASP N N 15 111.205 0.000 . . . . . . A 12 ASP N . 30522 1
123 . 1 1 13 13 ASN H H 1 7.738 0.002 . . . . . . A 13 ASN H . 30522 1
124 . 1 1 13 13 ASN HA H 1 4.724 0.001 . . . . . . A 13 ASN HA . 30522 1
125 . 1 1 13 13 ASN HB2 H 1 2.654 0.006 . . . . . . A 13 ASN HB2 . 30522 1
126 . 1 1 13 13 ASN HB3 H 1 2.539 0.004 . . . . . . A 13 ASN HB3 . 30522 1
127 . 1 1 13 13 ASN HD21 H 1 7.353 0.001 . . . . . . A 13 ASN HD21 . 30522 1
128 . 1 1 13 13 ASN HD22 H 1 6.796 0.001 . . . . . . A 13 ASN HD22 . 30522 1
129 . 1 1 13 13 ASN CA C 13 52.526 0.000 . . . . . . A 13 ASN CA . 30522 1
130 . 1 1 13 13 ASN CB C 13 37.308 0.015 . . . . . . A 13 ASN CB . 30522 1
131 . 1 1 13 13 ASN N N 15 120.741 0.000 . . . . . . A 13 ASN N . 30522 1
132 . 1 1 13 13 ASN ND2 N 15 109.700 0.000 . . . . . . A 13 ASN ND2 . 30522 1
133 . 1 1 14 14 ASP H H 1 8.408 0.002 . . . . . . A 14 ASP H . 30522 1
134 . 1 1 14 14 ASP HA H 1 4.174 0.003 . . . . . . A 14 ASP HA . 30522 1
135 . 1 1 14 14 ASP HB2 H 1 2.751 0.004 . . . . . . A 14 ASP HB2 . 30522 1
136 . 1 1 14 14 ASP HB3 H 1 3.006 0.003 . . . . . . A 14 ASP HB3 . 30522 1
137 . 1 1 14 14 ASP CA C 13 55.245 0.000 . . . . . . A 14 ASP CA . 30522 1
138 . 1 1 14 14 ASP CB C 13 41.610 0.015 . . . . . . A 14 ASP CB . 30522 1
139 . 1 1 14 14 ASP N N 15 122.776 0.000 . . . . . . A 14 ASP N . 30522 1
140 . 1 1 15 15 LYS H H 1 8.095 0.004 . . . . . . A 15 LYS H . 30522 1
141 . 1 1 15 15 LYS HA H 1 4.669 0.004 . . . . . . A 15 LYS HA . 30522 1
142 . 1 1 15 15 LYS HB2 H 1 1.624 0.004 . . . . . . A 15 LYS HB2 . 30522 1
143 . 1 1 15 15 LYS HB3 H 1 2.393 0.004 . . . . . . A 15 LYS HB3 . 30522 1
144 . 1 1 15 15 LYS HG2 H 1 1.400 0.002 . . . . . . A 15 LYS HG2 . 30522 1
145 . 1 1 15 15 LYS HG3 H 1 1.502 0.003 . . . . . . A 15 LYS HG3 . 30522 1
146 . 1 1 15 15 LYS HE2 H 1 2.861 0.000 . . . . . . A 15 LYS HE2 . 30522 1
147 . 1 1 15 15 LYS HE3 H 1 2.944 0.000 . . . . . . A 15 LYS HE3 . 30522 1
148 . 1 1 15 15 LYS HZ1 H 1 7.481 0.000 . . . . . . A 15 LYS HZ1 . 30522 1
149 . 1 1 15 15 LYS HZ2 H 1 7.481 0.000 . . . . . . A 15 LYS HZ2 . 30522 1
150 . 1 1 15 15 LYS HZ3 H 1 7.481 0.000 . . . . . . A 15 LYS HZ3 . 30522 1
151 . 1 1 15 15 LYS CA C 13 54.194 0.000 . . . . . . A 15 LYS CA . 30522 1
152 . 1 1 15 15 LYS CB C 13 31.257 0.026 . . . . . . A 15 LYS CB . 30522 1
153 . 1 1 15 15 LYS CG C 13 24.448 0.026 . . . . . . A 15 LYS CG . 30522 1
154 . 1 1 15 15 LYS CE C 13 42.069 0.000 . . . . . . A 15 LYS CE . 30522 1
155 . 1 1 15 15 LYS N N 15 127.209 0.000 . . . . . . A 15 LYS N . 30522 1
156 . 1 1 15 15 LYS NZ N 15 108.545 0.000 . . . . . . A 15 LYS NZ . 30522 1
157 . 1 1 16 16 CYS H H 1 9.221 0.002 . . . . . . A 16 CYS H . 30522 1
158 . 1 1 16 16 CYS HA H 1 4.935 0.004 . . . . . . A 16 CYS HA . 30522 1
159 . 1 1 16 16 CYS HB2 H 1 2.618 0.002 . . . . . . A 16 CYS HB2 . 30522 1
160 . 1 1 16 16 CYS HB3 H 1 2.618 0.002 . . . . . . A 16 CYS HB3 . 30522 1
161 . 1 1 16 16 CYS CA C 13 56.409 0.000 . . . . . . A 16 CYS CA . 30522 1
162 . 1 1 16 16 CYS CB C 13 38.483 0.000 . . . . . . A 16 CYS CB . 30522 1
163 . 1 1 16 16 CYS N N 15 122.131 0.000 . . . . . . A 16 CYS N . 30522 1
164 . 1 1 17 17 CYS H H 1 9.303 0.002 . . . . . . A 17 CYS H . 30522 1
165 . 1 1 17 17 CYS HA H 1 4.429 0.001 . . . . . . A 17 CYS HA . 30522 1
166 . 1 1 17 17 CYS HB2 H 1 2.718 0.002 . . . . . . A 17 CYS HB2 . 30522 1
167 . 1 1 17 17 CYS HB3 H 1 3.172 0.006 . . . . . . A 17 CYS HB3 . 30522 1
168 . 1 1 17 17 CYS CA C 13 56.085 0.000 . . . . . . A 17 CYS CA . 30522 1
169 . 1 1 17 17 CYS CB C 13 41.794 0.012 . . . . . . A 17 CYS CB . 30522 1
170 . 1 1 17 17 CYS N N 15 122.222 0.000 . . . . . . A 17 CYS N . 30522 1
171 . 1 1 18 18 ARG H H 1 8.769 0.002 . . . . . . A 18 ARG H . 30522 1
172 . 1 1 18 18 ARG HA H 1 4.370 0.004 . . . . . . A 18 ARG HA . 30522 1
173 . 1 1 18 18 ARG HB2 H 1 1.834 0.000 . . . . . . A 18 ARG HB2 . 30522 1
174 . 1 1 18 18 ARG HB3 H 1 1.967 0.008 . . . . . . A 18 ARG HB3 . 30522 1
175 . 1 1 18 18 ARG HD2 H 1 3.169 0.001 . . . . . . A 18 ARG HD2 . 30522 1
176 . 1 1 18 18 ARG HD3 H 1 3.284 0.001 . . . . . . A 18 ARG HD3 . 30522 1
177 . 1 1 18 18 ARG HE H 1 7.159 0.004 . . . . . . A 18 ARG HE . 30522 1
178 . 1 1 18 18 ARG CA C 13 57.418 0.000 . . . . . . A 18 ARG CA . 30522 1
179 . 1 1 18 18 ARG CB C 13 27.514 0.012 . . . . . . A 18 ARG CB . 30522 1
180 . 1 1 18 18 ARG CD C 13 42.713 0.000 . . . . . . A 18 ARG CD . 30522 1
181 . 1 1 18 18 ARG N N 15 125.867 0.000 . . . . . . A 18 ARG N . 30522 1
182 . 1 1 19 19 PRO HA H 1 4.567 0.003 . . . . . . A 19 PRO HA . 30522 1
183 . 1 1 19 19 PRO HB2 H 1 2.271 0.003 . . . . . . A 19 PRO HB2 . 30522 1
184 . 1 1 19 19 PRO HB3 H 1 2.351 0.003 . . . . . . A 19 PRO HB3 . 30522 1
185 . 1 1 19 19 PRO HG2 H 1 1.763 0.002 . . . . . . A 19 PRO HG2 . 30522 1
186 . 1 1 19 19 PRO HG3 H 1 2.027 0.002 . . . . . . A 19 PRO HG3 . 30522 1
187 . 1 1 19 19 PRO HD2 H 1 3.571 0.002 . . . . . . A 19 PRO HD2 . 30522 1
188 . 1 1 19 19 PRO HD3 H 1 3.571 0.002 . . . . . . A 19 PRO HD3 . 30522 1
189 . 1 1 19 19 PRO CA C 13 63.636 0.000 . . . . . . A 19 PRO CA . 30522 1
190 . 1 1 19 19 PRO CB C 13 34.908 0.023 . . . . . . A 19 PRO CB . 30522 1
191 . 1 1 19 19 PRO CG C 13 23.836 0.012 . . . . . . A 19 PRO CG . 30522 1
192 . 1 1 19 19 PRO CD C 13 50.113 0.000 . . . . . . A 19 PRO CD . 30522 1
193 . 1 1 20 20 ASN H H 1 8.449 0.002 . . . . . . A 20 ASN H . 30522 1
194 . 1 1 20 20 ASN HA H 1 4.805 0.009 . . . . . . A 20 ASN HA . 30522 1
195 . 1 1 20 20 ASN HB2 H 1 2.917 0.002 . . . . . . A 20 ASN HB2 . 30522 1
196 . 1 1 20 20 ASN HB3 H 1 3.019 0.003 . . . . . . A 20 ASN HB3 . 30522 1
197 . 1 1 20 20 ASN HD21 H 1 7.610 0.001 . . . . . . A 20 ASN HD21 . 30522 1
198 . 1 1 20 20 ASN HD22 H 1 7.117 0.004 . . . . . . A 20 ASN HD22 . 30522 1
199 . 1 1 20 20 ASN CA C 13 55.731 0.000 . . . . . . A 20 ASN CA . 30522 1
200 . 1 1 20 20 ASN CB C 13 39.165 0.007 . . . . . . A 20 ASN CB . 30522 1
201 . 1 1 20 20 ASN N N 15 118.938 0.000 . . . . . . A 20 ASN N . 30522 1
202 . 1 1 20 20 ASN ND2 N 15 112.576 0.023 . . . . . . A 20 ASN ND2 . 30522 1
203 . 1 1 21 21 LEU H H 1 7.785 0.002 . . . . . . A 21 LEU H . 30522 1
204 . 1 1 21 21 LEU HA H 1 5.434 0.002 . . . . . . A 21 LEU HA . 30522 1
205 . 1 1 21 21 LEU HB2 H 1 0.779 0.002 . . . . . . A 21 LEU HB2 . 30522 1
206 . 1 1 21 21 LEU HB3 H 1 2.155 0.003 . . . . . . A 21 LEU HB3 . 30522 1
207 . 1 1 21 21 LEU HG H 1 1.294 0.002 . . . . . . A 21 LEU HG . 30522 1
208 . 1 1 21 21 LEU HD21 H 1 0.014 0.002 . . . . . . A 21 LEU HD21 . 30522 1
209 . 1 1 21 21 LEU HD22 H 1 0.014 0.002 . . . . . . A 21 LEU HD22 . 30522 1
210 . 1 1 21 21 LEU HD23 H 1 0.014 0.002 . . . . . . A 21 LEU HD23 . 30522 1
211 . 1 1 21 21 LEU CA C 13 53.258 0.000 . . . . . . A 21 LEU CA . 30522 1
212 . 1 1 21 21 LEU CB C 13 46.275 0.013 . . . . . . A 21 LEU CB . 30522 1
213 . 1 1 21 21 LEU CG C 13 26.564 0.000 . . . . . . A 21 LEU CG . 30522 1
214 . 1 1 21 21 LEU CD2 C 13 23.719 0.000 . . . . . . A 21 LEU CD2 . 30522 1
215 . 1 1 21 21 LEU N N 15 118.092 0.000 . . . . . . A 21 LEU N . 30522 1
216 . 1 1 22 22 VAL H H 1 8.619 0.002 . . . . . . A 22 VAL H . 30522 1
217 . 1 1 22 22 VAL HA H 1 4.259 0.002 . . . . . . A 22 VAL HA . 30522 1
218 . 1 1 22 22 VAL HB H 1 1.836 0.001 . . . . . . A 22 VAL HB . 30522 1
219 . 1 1 22 22 VAL HG11 H 1 0.891 0.002 . . . . . . A 22 VAL HG11 . 30522 1
220 . 1 1 22 22 VAL HG12 H 1 0.891 0.002 . . . . . . A 22 VAL HG12 . 30522 1
221 . 1 1 22 22 VAL HG13 H 1 0.891 0.002 . . . . . . A 22 VAL HG13 . 30522 1
222 . 1 1 22 22 VAL HG21 H 1 0.706 0.003 . . . . . . A 22 VAL HG21 . 30522 1
223 . 1 1 22 22 VAL HG22 H 1 0.706 0.003 . . . . . . A 22 VAL HG22 . 30522 1
224 . 1 1 22 22 VAL HG23 H 1 0.706 0.003 . . . . . . A 22 VAL HG23 . 30522 1
225 . 1 1 22 22 VAL CA C 13 59.615 0.000 . . . . . . A 22 VAL CA . 30522 1
226 . 1 1 22 22 VAL CB C 13 30.215 0.000 . . . . . . A 22 VAL CB . 30522 1
227 . 1 1 22 22 VAL CG2 C 13 20.140 0.000 . . . . . . A 22 VAL CG2 . 30522 1
228 . 1 1 22 22 VAL N N 15 115.266 0.000 . . . . . . A 22 VAL N . 30522 1
229 . 1 1 23 23 CYS H H 1 9.490 0.002 . . . . . . A 23 CYS H . 30522 1
230 . 1 1 23 23 CYS HA H 1 4.584 0.002 . . . . . . A 23 CYS HA . 30522 1
231 . 1 1 23 23 CYS HB2 H 1 2.593 0.003 . . . . . . A 23 CYS HB2 . 30522 1
232 . 1 1 23 23 CYS HB3 H 1 3.146 0.002 . . . . . . A 23 CYS HB3 . 30522 1
233 . 1 1 23 23 CYS CA C 13 56.021 0.000 . . . . . . A 23 CYS CA . 30522 1
234 . 1 1 23 23 CYS CB C 13 37.735 0.014 . . . . . . A 23 CYS CB . 30522 1
235 . 1 1 23 23 CYS N N 15 125.591 0.000 . . . . . . A 23 CYS N . 30522 1
236 . 1 1 24 24 SER H H 1 8.277 0.001 . . . . . . A 24 SER H . 30522 1
237 . 1 1 24 24 SER HA H 1 4.378 0.006 . . . . . . A 24 SER HA . 30522 1
238 . 1 1 24 24 SER HB2 H 1 3.825 0.003 . . . . . . A 24 SER HB2 . 30522 1
239 . 1 1 24 24 SER HB3 H 1 4.021 0.004 . . . . . . A 24 SER HB3 . 30522 1
240 . 1 1 24 24 SER CA C 13 53.477 0.000 . . . . . . A 24 SER CA . 30522 1
241 . 1 1 24 24 SER CB C 13 63.680 0.014 . . . . . . A 24 SER CB . 30522 1
242 . 1 1 24 24 SER N N 15 123.472 0.000 . . . . . . A 24 SER N . 30522 1
243 . 1 1 25 25 ARG H H 1 9.007 0.002 . . . . . . A 25 ARG H . 30522 1
244 . 1 1 25 25 ARG HA H 1 3.815 0.003 . . . . . . A 25 ARG HA . 30522 1
245 . 1 1 25 25 ARG HB2 H 1 1.814 0.002 . . . . . . A 25 ARG HB2 . 30522 1
246 . 1 1 25 25 ARG HB3 H 1 1.814 0.002 . . . . . . A 25 ARG HB3 . 30522 1
247 . 1 1 25 25 ARG HG2 H 1 1.570 0.005 . . . . . . A 25 ARG HG2 . 30522 1
248 . 1 1 25 25 ARG HG3 H 1 1.706 0.001 . . . . . . A 25 ARG HG3 . 30522 1
249 . 1 1 25 25 ARG HD2 H 1 3.204 0.004 . . . . . . A 25 ARG HD2 . 30522 1
250 . 1 1 25 25 ARG HD3 H 1 3.204 0.004 . . . . . . A 25 ARG HD3 . 30522 1
251 . 1 1 25 25 ARG HE H 1 7.306 0.003 . . . . . . A 25 ARG HE . 30522 1
252 . 1 1 25 25 ARG CA C 13 59.263 0.000 . . . . . . A 25 ARG CA . 30522 1
253 . 1 1 25 25 ARG CB C 13 29.621 0.000 . . . . . . A 25 ARG CB . 30522 1
254 . 1 1 25 25 ARG CG C 13 28.492 0.000 . . . . . . A 25 ARG CG . 30522 1
255 . 1 1 25 25 ARG CD C 13 43.642 0.000 . . . . . . A 25 ARG CD . 30522 1
256 . 1 1 25 25 ARG N N 15 131.161 0.000 . . . . . . A 25 ARG N . 30522 1
257 . 1 1 26 26 LEU H H 1 7.491 0.005 . . . . . . A 26 LEU H . 30522 1
258 . 1 1 26 26 LEU HA H 1 4.053 0.002 . . . . . . A 26 LEU HA . 30522 1
259 . 1 1 26 26 LEU HB2 H 1 0.948 0.000 . . . . . . A 26 LEU HB2 . 30522 1
260 . 1 1 26 26 LEU HB3 H 1 1.267 0.002 . . . . . . A 26 LEU HB3 . 30522 1
261 . 1 1 26 26 LEU HG H 1 0.794 0.008 . . . . . . A 26 LEU HG . 30522 1
262 . 1 1 26 26 LEU HD11 H 1 0.748 0.002 . . . . . . A 26 LEU HD11 . 30522 1
263 . 1 1 26 26 LEU HD12 H 1 0.748 0.002 . . . . . . A 26 LEU HD12 . 30522 1
264 . 1 1 26 26 LEU HD13 H 1 0.748 0.002 . . . . . . A 26 LEU HD13 . 30522 1
265 . 1 1 26 26 LEU HD21 H 1 0.629 0.002 . . . . . . A 26 LEU HD21 . 30522 1
266 . 1 1 26 26 LEU HD22 H 1 0.629 0.002 . . . . . . A 26 LEU HD22 . 30522 1
267 . 1 1 26 26 LEU HD23 H 1 0.629 0.002 . . . . . . A 26 LEU HD23 . 30522 1
268 . 1 1 26 26 LEU CA C 13 56.444 0.000 . . . . . . A 26 LEU CA . 30522 1
269 . 1 1 26 26 LEU CB C 13 42.816 0.000 . . . . . . A 26 LEU CB . 30522 1
270 . 1 1 26 26 LEU CG C 13 26.870 0.000 . . . . . . A 26 LEU CG . 30522 1
271 . 1 1 26 26 LEU CD1 C 13 23.230 0.000 . . . . . . A 26 LEU CD1 . 30522 1
272 . 1 1 26 26 LEU CD2 C 13 24.302 0.000 . . . . . . A 26 LEU CD2 . 30522 1
273 . 1 1 26 26 LEU N N 15 116.760 0.000 . . . . . . A 26 LEU N . 30522 1
274 . 1 1 27 27 HIS H H 1 7.419 0.002 . . . . . . A 27 HIS H . 30522 1
275 . 1 1 27 27 HIS HA H 1 4.195 0.001 . . . . . . A 27 HIS HA . 30522 1
276 . 1 1 27 27 HIS HB2 H 1 1.044 0.003 . . . . . . A 27 HIS HB2 . 30522 1
277 . 1 1 27 27 HIS HB3 H 1 1.227 0.004 . . . . . . A 27 HIS HB3 . 30522 1
278 . 1 1 27 27 HIS HD2 H 1 6.991 0.003 . . . . . . A 27 HIS HD2 . 30522 1
279 . 1 1 27 27 HIS HE1 H 1 8.658 0.001 . . . . . . A 27 HIS HE1 . 30522 1
280 . 1 1 27 27 HIS CA C 13 54.585 0.000 . . . . . . A 27 HIS CA . 30522 1
281 . 1 1 27 27 HIS CB C 13 27.167 0.014 . . . . . . A 27 HIS CB . 30522 1
282 . 1 1 27 27 HIS N N 15 111.299 0.000 . . . . . . A 27 HIS N . 30522 1
283 . 1 1 28 28 ARG H H 1 8.200 0.003 . . . . . . A 28 ARG H . 30522 1
284 . 1 1 28 28 ARG HA H 1 3.768 0.004 . . . . . . A 28 ARG HA . 30522 1
285 . 1 1 28 28 ARG HB2 H 1 1.284 0.002 . . . . . . A 28 ARG HB2 . 30522 1
286 . 1 1 28 28 ARG HB3 H 1 1.448 0.005 . . . . . . A 28 ARG HB3 . 30522 1
287 . 1 1 28 28 ARG HG2 H 1 2.032 0.001 . . . . . . A 28 ARG HG2 . 30522 1
288 . 1 1 28 28 ARG HG3 H 1 2.356 0.002 . . . . . . A 28 ARG HG3 . 30522 1
289 . 1 1 28 28 ARG HD2 H 1 3.215 0.002 . . . . . . A 28 ARG HD2 . 30522 1
290 . 1 1 28 28 ARG HD3 H 1 3.215 0.002 . . . . . . A 28 ARG HD3 . 30522 1
291 . 1 1 28 28 ARG HE H 1 7.300 0.004 . . . . . . A 28 ARG HE . 30522 1
292 . 1 1 28 28 ARG CA C 13 57.407 0.000 . . . . . . A 28 ARG CA . 30522 1
293 . 1 1 28 28 ARG CB C 13 28.282 0.000 . . . . . . A 28 ARG CB . 30522 1
294 . 1 1 28 28 ARG CG C 13 26.207 0.014 . . . . . . A 28 ARG CG . 30522 1
295 . 1 1 28 28 ARG N N 15 114.938 0.000 . . . . . . A 28 ARG N . 30522 1
296 . 1 1 29 29 TRP H H 1 6.784 0.004 . . . . . . A 29 TRP H . 30522 1
297 . 1 1 29 29 TRP HA H 1 5.733 0.003 . . . . . . A 29 TRP HA . 30522 1
298 . 1 1 29 29 TRP HB2 H 1 3.224 0.004 . . . . . . A 29 TRP HB2 . 30522 1
299 . 1 1 29 29 TRP HB3 H 1 2.713 0.005 . . . . . . A 29 TRP HB3 . 30522 1
300 . 1 1 29 29 TRP HD1 H 1 6.842 0.003 . . . . . . A 29 TRP HD1 . 30522 1
301 . 1 1 29 29 TRP HE1 H 1 10.551 0.003 . . . . . . A 29 TRP HE1 . 30522 1
302 . 1 1 29 29 TRP HE3 H 1 7.577 0.000 . . . . . . A 29 TRP HE3 . 30522 1
303 . 1 1 29 29 TRP HZ2 H 1 7.004 0.002 . . . . . . A 29 TRP HZ2 . 30522 1
304 . 1 1 29 29 TRP HZ3 H 1 7.576 0.002 . . . . . . A 29 TRP HZ3 . 30522 1
305 . 1 1 29 29 TRP HH2 H 1 7.188 0.005 . . . . . . A 29 TRP HH2 . 30522 1
306 . 1 1 29 29 TRP CA C 13 54.672 0.000 . . . . . . A 29 TRP CA . 30522 1
307 . 1 1 29 29 TRP CB C 13 31.002 0.030 . . . . . . A 29 TRP CB . 30522 1
308 . 1 1 29 29 TRP N N 15 110.709 0.000 . . . . . . A 29 TRP N . 30522 1
309 . 1 1 29 29 TRP NE1 N 15 129.424 0.000 . . . . . . A 29 TRP NE1 . 30522 1
310 . 1 1 30 30 CYS H H 1 8.665 0.017 . . . . . . A 30 CYS H . 30522 1
311 . 1 1 30 30 CYS HA H 1 4.930 0.004 . . . . . . A 30 CYS HA . 30522 1
312 . 1 1 30 30 CYS HB2 H 1 2.493 0.002 . . . . . . A 30 CYS HB2 . 30522 1
313 . 1 1 30 30 CYS HB3 H 1 3.168 0.002 . . . . . . A 30 CYS HB3 . 30522 1
314 . 1 1 30 30 CYS CA C 13 54.697 0.000 . . . . . . A 30 CYS CA . 30522 1
315 . 1 1 30 30 CYS CB C 13 39.085 0.012 . . . . . . A 30 CYS CB . 30522 1
316 . 1 1 30 30 CYS N N 15 121.565 0.000 . . . . . . A 30 CYS N . 30522 1
317 . 1 1 31 31 LYS H H 1 9.665 0.002 . . . . . . A 31 LYS H . 30522 1
318 . 1 1 31 31 LYS HA H 1 4.697 0.003 . . . . . . A 31 LYS HA . 30522 1
319 . 1 1 31 31 LYS HB2 H 1 1.831 0.004 . . . . . . A 31 LYS HB2 . 30522 1
320 . 1 1 31 31 LYS HB3 H 1 2.102 0.003 . . . . . . A 31 LYS HB3 . 30522 1
321 . 1 1 31 31 LYS HG2 H 1 1.399 0.002 . . . . . . A 31 LYS HG2 . 30522 1
322 . 1 1 31 31 LYS HG3 H 1 1.614 0.004 . . . . . . A 31 LYS HG3 . 30522 1
323 . 1 1 31 31 LYS HD2 H 1 1.756 0.002 . . . . . . A 31 LYS HD2 . 30522 1
324 . 1 1 31 31 LYS HD3 H 1 1.756 0.002 . . . . . . A 31 LYS HD3 . 30522 1
325 . 1 1 31 31 LYS CA C 13 53.376 0.000 . . . . . . A 31 LYS CA . 30522 1
326 . 1 1 31 31 LYS CB C 13 35.776 0.031 . . . . . . A 31 LYS CB . 30522 1
327 . 1 1 31 31 LYS CG C 13 23.651 0.008 . . . . . . A 31 LYS CG . 30522 1
328 . 1 1 31 31 LYS CD C 13 29.381 0.000 . . . . . . A 31 LYS CD . 30522 1
329 . 1 1 31 31 LYS N N 15 126.467 0.000 . . . . . . A 31 LYS N . 30522 1
330 . 1 1 32 32 TYR H H 1 7.987 0.003 . . . . . . A 32 TYR H . 30522 1
331 . 1 1 32 32 TYR HA H 1 4.855 0.005 . . . . . . A 32 TYR HA . 30522 1
332 . 1 1 32 32 TYR HB2 H 1 2.976 0.005 . . . . . . A 32 TYR HB2 . 30522 1
333 . 1 1 32 32 TYR HB3 H 1 2.725 0.003 . . . . . . A 32 TYR HB3 . 30522 1
334 . 1 1 32 32 TYR HD1 H 1 7.178 0.004 . . . . . . A 32 TYR HD1 . 30522 1
335 . 1 1 32 32 TYR HD2 H 1 7.178 0.004 . . . . . . A 32 TYR HD2 . 30522 1
336 . 1 1 32 32 TYR HE1 H 1 6.767 0.002 . . . . . . A 32 TYR HE1 . 30522 1
337 . 1 1 32 32 TYR HE2 H 1 6.767 0.002 . . . . . . A 32 TYR HE2 . 30522 1
338 . 1 1 32 32 TYR CA C 13 58.832 0.000 . . . . . . A 32 TYR CA . 30522 1
339 . 1 1 32 32 TYR CB C 13 38.459 0.010 . . . . . . A 32 TYR CB . 30522 1
340 . 1 1 32 32 TYR N N 15 120.184 0.000 . . . . . . A 32 TYR N . 30522 1
341 . 1 1 33 33 VAL H H 1 8.374 0.001 . . . . . . A 33 VAL H . 30522 1
342 . 1 1 33 33 VAL HA H 1 3.834 0.003 . . . . . . A 33 VAL HA . 30522 1
343 . 1 1 33 33 VAL HB H 1 1.874 0.002 . . . . . . A 33 VAL HB . 30522 1
344 . 1 1 33 33 VAL HG11 H 1 0.804 0.001 . . . . . . A 33 VAL HG11 . 30522 1
345 . 1 1 33 33 VAL HG12 H 1 0.804 0.001 . . . . . . A 33 VAL HG12 . 30522 1
346 . 1 1 33 33 VAL HG13 H 1 0.804 0.001 . . . . . . A 33 VAL HG13 . 30522 1
347 . 1 1 33 33 VAL HG21 H 1 0.675 0.001 . . . . . . A 33 VAL HG21 . 30522 1
348 . 1 1 33 33 VAL HG22 H 1 0.675 0.001 . . . . . . A 33 VAL HG22 . 30522 1
349 . 1 1 33 33 VAL HG23 H 1 0.675 0.001 . . . . . . A 33 VAL HG23 . 30522 1
350 . 1 1 33 33 VAL CA C 13 63.504 0.000 . . . . . . A 33 VAL CA . 30522 1
351 . 1 1 33 33 VAL CB C 13 32.933 0.000 . . . . . . A 33 VAL CB . 30522 1
352 . 1 1 33 33 VAL CG1 C 13 21.072 0.000 . . . . . . A 33 VAL CG1 . 30522 1
353 . 1 1 33 33 VAL CG2 C 13 21.092 0.000 . . . . . . A 33 VAL CG2 . 30522 1
354 . 1 1 33 33 VAL N N 15 122.844 0.000 . . . . . . A 33 VAL N . 30522 1
355 . 1 1 34 34 PHE H H 1 8.024 0.001 . . . . . . A 34 PHE H . 30522 1
356 . 1 1 34 34 PHE HA H 1 4.735 0.001 . . . . . . A 34 PHE HA . 30522 1
357 . 1 1 34 34 PHE HB2 H 1 3.003 0.006 . . . . . . A 34 PHE HB2 . 30522 1
358 . 1 1 34 34 PHE HB3 H 1 3.218 0.006 . . . . . . A 34 PHE HB3 . 30522 1
359 . 1 1 34 34 PHE HD1 H 1 7.326 0.003 . . . . . . A 34 PHE HD1 . 30522 1
360 . 1 1 34 34 PHE HD2 H 1 7.326 0.003 . . . . . . A 34 PHE HD2 . 30522 1
361 . 1 1 34 34 PHE CA C 13 56.554 0.000 . . . . . . A 34 PHE CA . 30522 1
362 . 1 1 34 34 PHE CB C 13 39.780 0.024 . . . . . . A 34 PHE CB . 30522 1
363 . 1 1 34 34 PHE N N 15 120.725 0.000 . . . . . . A 34 PHE N . 30522 1
stop_
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