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 19602
_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 'Metal binding domain 1-16 of human amyloid beta-peptide, H6R mutant, free peptide'
_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-1H NOESY' 1 $sample_1 . 19602 1
2 '2D 1H-1H TOCSY' 1 $sample_1 . 19602 1
3 '2D DQF-COSY' 1 $sample_1 . 19602 1
4 '2D 1H-15N HSQC' 1 $sample_1 . 19602 1
5 '2D 1H-13C HSQC' 1 $sample_1 . 19602 1
6 '2D 1H-1H NOESY' 2 $sample_2 . 19602 1
7 '2D 1H-1H TOCSY' 2 $sample_2 . 19602 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 ACE CH3 C 13 24.400 0.020 . 1 . . . B 0 ACE CH3 . 19602 1
2 . 1 1 1 1 ACE H1 H 1 2.037 0.003 . 2 . . . B 0 ACE H1 . 19602 1
3 . 1 1 1 1 ACE H2 H 1 2.037 0.003 . 2 . . . B 0 ACE H2 . 19602 1
4 . 1 1 1 1 ACE H3 H 1 2.037 0.003 . 2 . . . B 0 ACE H3 . 19602 1
5 . 1 1 2 2 ASP H H 1 8.370 0.005 . 1 . . . B 1 ASP H . 19602 1
6 . 1 1 2 2 ASP HA H 1 4.549 0.006 . 1 . . . B 1 ASP HA . 19602 1
7 . 1 1 2 2 ASP HB2 H 1 2.700 0.006 . 2 . . . B 1 ASP HB2 . 19602 1
8 . 1 1 2 2 ASP HB3 H 1 2.633 0.002 . 2 . . . B 1 ASP HB3 . 19602 1
9 . 1 1 2 2 ASP CA C 13 54.579 0.020 . 1 . . . B 1 ASP CA . 19602 1
10 . 1 1 2 2 ASP CB C 13 41.276 0.008 . 1 . . . B 1 ASP CB . 19602 1
11 . 1 1 2 2 ASP N N 15 126.72 0.020 . 1 . . . B 1 ASP N . 19602 1
12 . 1 1 3 3 ALA H H 1 8.496 0.007 . 1 . . . B 2 ALA H . 19602 1
13 . 1 1 3 3 ALA HA H 1 4.231 0.005 . 1 . . . B 2 ALA HA . 19602 1
14 . 1 1 3 3 ALA HB1 H 1 1.384 0.003 . 1 . . . B 2 ALA HB1 . 19602 1
15 . 1 1 3 3 ALA HB2 H 1 1.384 0.003 . 1 . . . B 2 ALA HB2 . 19602 1
16 . 1 1 3 3 ALA HB3 H 1 1.384 0.003 . 1 . . . B 2 ALA HB3 . 19602 1
17 . 1 1 3 3 ALA CA C 13 53.021 0.020 . 1 . . . B 2 ALA CA . 19602 1
18 . 1 1 3 3 ALA CB C 13 18.906 0.020 . 1 . . . B 2 ALA CB . 19602 1
19 . 1 1 3 3 ALA N N 15 123.82 0.020 . 1 . . . B 2 ALA N . 19602 1
20 . 1 1 4 4 GLU H H 1 8.369 0.009 . 1 . . . B 3 GLU H . 19602 1
21 . 1 1 4 4 GLU HA H 1 4.143 0.005 . 1 . . . B 3 GLU HA . 19602 1
22 . 1 1 4 4 GLU HB2 H 1 1.914 0.004 . 2 . . . B 3 GLU HB2 . 19602 1
23 . 1 1 4 4 GLU HB3 H 1 1.914 0.008 . 2 . . . B 3 GLU HB3 . 19602 1
24 . 1 1 4 4 GLU HG2 H 1 2.186 0.020 . 2 . . . B 3 GLU HG2 . 19602 1
25 . 1 1 4 4 GLU HG3 H 1 2.097 0.020 . 2 . . . B 3 GLU HG3 . 19602 1
26 . 1 1 4 4 GLU CA C 13 56.891 0.020 . 1 . . . B 3 GLU CA . 19602 1
27 . 1 1 4 4 GLU CB C 13 29.893 0.020 . 1 . . . B 3 GLU CB . 19602 1
28 . 1 1 4 4 GLU CG C 13 36.145 0.020 . 1 . . . B 3 GLU CG . 19602 1
29 . 1 1 4 4 GLU N N 15 119.34 0.020 . 1 . . . B 3 GLU N . 19602 1
30 . 1 1 5 5 PHE H H 1 8.183 0.005 . 1 . . . B 4 PHE H . 19602 1
31 . 1 1 5 5 PHE HA H 1 4.558 0.005 . 1 . . . B 4 PHE HA . 19602 1
32 . 1 1 5 5 PHE HB2 H 1 3.114 0.003 . 2 . . . B 4 PHE HB2 . 19602 1
33 . 1 1 5 5 PHE HB3 H 1 3.069 0.003 . 2 . . . B 4 PHE HB3 . 19602 1
34 . 1 1 5 5 PHE HD1 H 1 7.230 0.005 . 3 . . . B 4 PHE HD1 . 19602 1
35 . 1 1 5 5 PHE HD2 H 1 7.230 0.005 . 3 . . . B 4 PHE HD2 . 19602 1
36 . 1 1 5 5 PHE HE1 H 1 7.331 0.008 . 3 . . . B 4 PHE HE1 . 19602 1
37 . 1 1 5 5 PHE HE2 H 1 7.331 0.008 . 3 . . . B 4 PHE HE2 . 19602 1
38 . 1 1 5 5 PHE HZ H 1 7.283 0.004 . 1 . . . B 4 PHE HZ . 19602 1
39 . 1 1 5 5 PHE CA C 13 57.911 0.020 . 1 . . . B 4 PHE CA . 19602 1
40 . 1 1 5 5 PHE CB C 13 39.269 0.020 . 1 . . . B 4 PHE CB . 19602 1
41 . 1 1 5 5 PHE CD1 C 13 131.74 0.020 . 3 . . . B 4 PHE CD1 . 19602 1
42 . 1 1 5 5 PHE CD2 C 13 131.74 0.020 . 3 . . . B 4 PHE CD2 . 19602 1
43 . 1 1 5 5 PHE CE1 C 13 131.318 0.020 . 3 . . . B 4 PHE CE1 . 19602 1
44 . 1 1 5 5 PHE CE2 C 13 131.318 0.020 . 3 . . . B 4 PHE CE2 . 19602 1
45 . 1 1 5 5 PHE CZ C 13 129.844 0.020 . 1 . . . B 4 PHE CZ . 19602 1
46 . 1 1 5 5 PHE N N 15 121.00 0.020 . 1 . . . B 4 PHE N . 19602 1
47 . 1 1 6 6 ARG H H 1 8.202 0.003 . 1 . . . B 5 ARG H . 19602 1
48 . 1 1 6 6 ARG HA H 1 4.222 0.008 . 1 . . . B 5 ARG HA . 19602 1
49 . 1 1 6 6 ARG HB2 H 1 1.783 0.009 . 2 . . . B 5 ARG HB2 . 19602 1
50 . 1 1 6 6 ARG HB3 H 1 1.694 0.009 . 2 . . . B 5 ARG HB3 . 19602 1
51 . 1 1 6 6 ARG HG2 H 1 1.573 0.009 . 2 . . . B 5 ARG HG2 . 19602 1
52 . 1 1 6 6 ARG HG3 H 1 1.520 0.009 . 2 . . . B 5 ARG HG3 . 19602 1
53 . 1 1 6 6 ARG HD2 H 1 3.147 0.006 . 2 . . . B 5 ARG HD2 . 19602 1
54 . 1 1 6 6 ARG HD3 H 1 3.147 0.006 . 2 . . . B 5 ARG HD3 . 19602 1
55 . 1 1 6 6 ARG HE H 1 7.386 0.006 . 1 . . . B 5 ARG HE . 19602 1
56 . 1 1 6 6 ARG CA C 13 55.941 0.011 . 1 . . . B 5 ARG CA . 19602 1
57 . 1 1 6 6 ARG CB C 13 30.726 0.011 . 1 . . . B 5 ARG CB . 19602 1
58 . 1 1 6 6 ARG CG C 13 27.099 0.011 . 1 . . . B 5 ARG CG . 19602 1
59 . 1 1 6 6 ARG CD C 13 43.114 0.011 . 1 . . . B 5 ARG CD . 19602 1
60 . 1 1 6 6 ARG N N 15 123.14 0.011 . 1 . . . B 5 ARG N . 19602 1
61 . 1 1 7 7 ARG H H 1 8.114 0.005 . 1 . . . B 6 ARG H . 19602 1
62 . 1 1 7 7 ARG HA H 1 4.248 0.007 . 1 . . . B 6 ARG HA . 19602 1
63 . 1 1 7 7 ARG HB2 H 1 1.844 0.004 . 2 . . . B 6 ARG HB2 . 19602 1
64 . 1 1 7 7 ARG HB3 H 1 1.768 0.004 . 2 . . . B 6 ARG HB3 . 19602 1
65 . 1 1 7 7 ARG HG2 H 1 1.641 0.006 . 2 . . . B 6 ARG HG2 . 19602 1
66 . 1 1 7 7 ARG HG3 H 1 1.587 0.006 . 2 . . . B 6 ARG HG3 . 19602 1
67 . 1 1 7 7 ARG HD2 H 1 3.148 0.006 . 2 . . . B 6 ARG HD2 . 19602 1
68 . 1 1 7 7 ARG HD3 H 1 3.148 0.006 . 2 . . . B 6 ARG HD3 . 19602 1
69 . 1 1 7 7 ARG HE H 1 7.278 0.006 . 1 . . . B 6 ARG HE . 19602 1
70 . 1 1 7 7 ARG CA C 13 56.035 0.011 . 1 . . . B 6 ARG CA . 19602 1
71 . 1 1 7 7 ARG CB C 13 30.604 0.011 . 1 . . . B 6 ARG CB . 19602 1
72 . 1 1 7 7 ARG CG C 13 27.029 0.011 . 1 . . . B 6 ARG CG . 19602 1
73 . 1 1 7 7 ARG CD C 13 43.114 0.011 . 1 . . . B 6 ARG CD . 19602 1
74 . 1 1 7 7 ARG N N 15 122.83 0.011 . 1 . . . B 6 ARG N . 19602 1
75 . 1 1 8 8 ASP H H 1 8.500 0.004 . 1 . . . B 7 ASP H . 19602 1
76 . 1 1 8 8 ASP HA H 1 4.635 0.006 . 1 . . . B 7 ASP HA . 19602 1
77 . 1 1 8 8 ASP HB2 H 1 2.742 0.004 . 2 . . . B 7 ASP HB2 . 19602 1
78 . 1 1 8 8 ASP HB3 H 1 2.697 0.004 . 2 . . . B 7 ASP HB3 . 19602 1
79 . 1 1 8 8 ASP CA C 13 54.216 0.020 . 1 . . . B 7 ASP CA . 19602 1
80 . 1 1 8 8 ASP CB C 13 41.181 0.020 . 1 . . . B 7 ASP CB . 19602 1
81 . 1 1 8 8 ASP N N 15 121.19 0.020 . 1 . . . B 7 ASP N . 19602 1
82 . 1 1 9 9 SER H H 1 8.436 0.015 . 1 . . . B 8 SER H . 19602 1
83 . 1 1 9 9 SER HA H 1 4.377 0.006 . 1 . . . B 8 SER HA . 19602 1
84 . 1 1 9 9 SER HB2 H 1 3.900 0.005 . 2 . . . B 8 SER HB2 . 19602 1
85 . 1 1 9 9 SER HB3 H 1 3.850 0.005 . 2 . . . B 8 SER HB3 . 19602 1
86 . 1 1 9 9 SER CA C 13 58.958 0.020 . 1 . . . B 8 SER CA . 19602 1
87 . 1 1 9 9 SER CB C 13 63.528 0.008 . 1 . . . B 8 SER CB . 19602 1
88 . 1 1 9 9 SER N N 15 116.37 0.008 . 1 . . . B 8 SER N . 19602 1
89 . 1 1 10 10 GLY H H 1 8.586 0.004 . 1 . . . B 9 GLY H . 19602 1
90 . 1 1 10 10 GLY HA2 H 1 3.947 0.006 . 2 . . . B 9 GLY HA2 . 19602 1
91 . 1 1 10 10 GLY HA3 H 1 3.895 0.004 . 2 . . . B 9 GLY HA3 . 19602 1
92 . 1 1 10 10 GLY CA C 13 45.253 0.020 . 1 . . . B 9 GLY CA . 19602 1
93 . 1 1 10 10 GLY N N 15 110.69 0.020 . 1 . . . B 9 GLY N . 19602 1
94 . 1 1 11 11 TYR H H 1 8.042 0.003 . 1 . . . B 10 TYR H . 19602 1
95 . 1 1 11 11 TYR HA H 1 4.501 0.010 . 1 . . . B 10 TYR HA . 19602 1
96 . 1 1 11 11 TYR HB2 H 1 3.044 0.006 . 2 . . . B 10 TYR HB2 . 19602 1
97 . 1 1 11 11 TYR HB3 H 1 2.972 0.005 . 2 . . . B 10 TYR HB3 . 19602 1
98 . 1 1 11 11 TYR HD1 H 1 7.088 0.004 . 3 . . . B 10 TYR HD1 . 19602 1
99 . 1 1 11 11 TYR HD2 H 1 7.088 0.004 . 3 . . . B 10 TYR HD2 . 19602 1
100 . 1 1 11 11 TYR HE1 H 1 6.799 0.007 . 3 . . . B 10 TYR HE1 . 19602 1
101 . 1 1 11 11 TYR HE2 H 1 6.799 0.007 . 3 . . . B 10 TYR HE2 . 19602 1
102 . 1 1 11 11 TYR CA C 13 58.251 0.020 . 1 . . . B 10 TYR CA . 19602 1
103 . 1 1 11 11 TYR CB C 13 38.750 0.016 . 1 . . . B 10 TYR CB . 19602 1
104 . 1 1 11 11 TYR CD1 C 13 133.129 0.020 . 3 . . . B 10 TYR CD1 . 19602 1
105 . 1 1 11 11 TYR CD2 C 13 133.129 0.020 . 3 . . . B 10 TYR CD2 . 19602 1
106 . 1 1 11 11 TYR CE1 C 13 118.018 0.020 . 3 . . . B 10 TYR CE1 . 19602 1
107 . 1 1 11 11 TYR CE2 C 13 118.018 0.020 . 3 . . . B 10 TYR CE2 . 19602 1
108 . 1 1 11 11 TYR N N 15 120.18 0.020 . 1 . . . B 10 TYR N . 19602 1
109 . 1 1 12 12 GLU H H 1 8.455 0.001 . 1 . . . B 11 GLU H . 19602 1
110 . 1 1 12 12 GLU HA H 1 3.994 0.010 . 1 . . . B 11 GLU HA . 19602 1
111 . 1 1 12 12 GLU HB2 H 1 1.934 0.004 . 2 . . . B 11 GLU HB2 . 19602 1
112 . 1 1 12 12 GLU HB3 H 1 1.865 0.004 . 2 . . . B 11 GLU HB3 . 19602 1
113 . 1 1 12 12 GLU HG2 H 1 2.210 0.004 . 2 . . . B 11 GLU HG2 . 19602 1
114 . 1 1 12 12 GLU HG3 H 1 2.173 0.004 . 2 . . . B 11 GLU HG3 . 19602 1
115 . 1 1 12 12 GLU CA C 13 56.472 0.020 . 1 . . . B 11 GLU CA . 19602 1
116 . 1 1 12 12 GLU CB C 13 30.243 0.020 . 1 . . . B 11 GLU CB . 19602 1
117 . 1 1 12 12 GLU CG C 13 36.145 0.020 . 1 . . . B 11 GLU CG . 19602 1
118 . 1 1 12 12 GLU N N 15 122.60 0.020 . 1 . . . B 11 GLU N . 19602 1
119 . 1 1 13 13 VAL H H 1 8.153 0.016 . 1 . . . B 12 VAL H . 19602 1
120 . 1 1 13 13 VAL HA H 1 3.932 0.005 . 1 . . . B 12 VAL HA . 19602 1
121 . 1 1 13 13 VAL HB H 1 1.950 0.002 . 1 . . . B 12 VAL HB . 19602 1
122 . 1 1 13 13 VAL HG11 H 1 0.776 0.002 . 2 . . . B 12 VAL HG11 . 19602 1
123 . 1 1 13 13 VAL HG12 H 1 0.776 0.002 . 2 . . . B 12 VAL HG12 . 19602 1
124 . 1 1 13 13 VAL HG13 H 1 0.776 0.002 . 2 . . . B 12 VAL HG13 . 19602 1
125 . 1 1 13 13 VAL HG21 H 1 0.884 0.003 . 2 . . . B 12 VAL HG21 . 19602 1
126 . 1 1 13 13 VAL HG22 H 1 0.884 0.003 . 2 . . . B 12 VAL HG22 . 19602 1
127 . 1 1 13 13 VAL HG23 H 1 0.884 0.003 . 2 . . . B 12 VAL HG23 . 19602 1
128 . 1 1 13 13 VAL CA C 13 62.726 0.020 . 1 . . . B 12 VAL CA . 19602 1
129 . 1 1 13 13 VAL CB C 13 32.461 0.020 . 1 . . . B 12 VAL CB . 19602 1
130 . 1 1 13 13 VAL CG1 C 13 20.69 0.020 . 2 . . . B 12 VAL CG1 . 19602 1
131 . 1 1 13 13 VAL N N 15 121.21 0.020 . 1 . . . B 12 VAL N . 19602 1
132 . 1 1 14 14 HIS H H 1 8.406 0.008 . 1 . . . B 13 HIS H . 19602 1
133 . 1 1 14 14 HIS HA H 1 4.629 0.008 . 1 . . . B 13 HIS HA . 19602 1
134 . 1 1 14 14 HIS HB2 H 1 3.095 0.002 . 2 . . . B 13 HIS HB2 . 19602 1
135 . 1 1 14 14 HIS HB3 H 1 3.036 0.002 . 2 . . . B 13 HIS HB3 . 19602 1
136 . 1 1 14 14 HIS HD2 H 1 7.044 0.007 . 1 . . . B 13 HIS HD2 . 19602 1
137 . 1 1 14 14 HIS HE1 H 1 8.070 0.005 . 1 . . . B 13 HIS HE1 . 19602 1
138 . 1 1 14 14 HIS CA C 13 55.808 0.020 . 1 . . . B 13 HIS CA . 19602 1
139 . 1 1 14 14 HIS CB C 13 30.251 0.020 . 1 . . . B 13 HIS CB . 19602 1
140 . 1 1 14 14 HIS CD2 C 13 119.54 0.020 . 1 . . . B 13 HIS CD2 . 19602 1
141 . 1 1 14 14 HIS CE1 C 13 137.64 0.020 . 1 . . . B 13 HIS CE1 . 19602 1
142 . 1 1 14 14 HIS N N 15 122.23 0.020 . 1 . . . B 13 HIS N . 19602 1
143 . 1 1 15 15 HIS H H 1 8.348 0.005 . 1 . . . B 14 HIS H . 19602 1
144 . 1 1 15 15 HIS HA H 1 4.593 0.009 . 1 . . . B 14 HIS HA . 19602 1
145 . 1 1 15 15 HIS HB2 H 1 3.123 0.004 . 2 . . . B 14 HIS HB2 . 19602 1
146 . 1 1 15 15 HIS HB3 H 1 3.016 0.006 . 2 . . . B 14 HIS HB3 . 19602 1
147 . 1 1 15 15 HIS HD2 H 1 7.038 0.005 . 1 . . . B 14 HIS HD2 . 19602 1
148 . 1 1 15 15 HIS HE1 H 1 8.018 0.005 . 1 . . . B 14 HIS HE1 . 19602 1
149 . 1 1 15 15 HIS CA C 13 56.055 0.020 . 1 . . . B 14 HIS CA . 19602 1
150 . 1 1 15 15 HIS CB C 13 30.368 0.020 . 1 . . . B 14 HIS CB . 19602 1
151 . 1 1 15 15 HIS CD2 C 13 119.54 0.020 . 1 . . . B 14 HIS CD2 . 19602 1
152 . 1 1 15 15 HIS CE1 C 13 137.64 0.020 . 1 . . . B 14 HIS CE1 . 19602 1
153 . 1 1 15 15 HIS N N 15 121.11 0.020 . 1 . . . B 14 HIS N . 19602 1
154 . 1 1 16 16 GLN H H 1 8.573 0.007 . 1 . . . B 15 GLN H . 19602 1
155 . 1 1 16 16 GLN HA H 1 4.307 0.004 . 1 . . . B 15 GLN HA . 19602 1
156 . 1 1 16 16 GLN HB2 H 1 2.107 0.004 . 2 . . . B 15 GLN HB2 . 19602 1
157 . 1 1 16 16 GLN HB3 H 1 1.987 0.004 . 2 . . . B 15 GLN HB3 . 19602 1
158 . 1 1 16 16 GLN HG2 H 1 2.357 0.007 . 2 . . . B 15 GLN HG2 . 19602 1
159 . 1 1 16 16 GLN HG3 H 1 2.357 0.007 . 2 . . . B 15 GLN HG3 . 19602 1
160 . 1 1 16 16 GLN HE21 H 1 7.648 0.004 . 2 . . . B 15 GLN HE21 . 19602 1
161 . 1 1 16 16 GLN HE22 H 1 6.972 0.004 . 2 . . . B 15 GLN HE22 . 19602 1
162 . 1 1 16 16 GLN CA C 13 55.729 0.020 . 1 . . . B 15 GLN CA . 19602 1
163 . 1 1 16 16 GLN CB C 13 29.224 0.020 . 1 . . . B 15 GLN CB . 19602 1
164 . 1 1 16 16 GLN CG C 13 33.538 0.020 . 1 . . . B 15 GLN CG . 19602 1
165 . 1 1 16 16 GLN N N 15 122.17 0.020 . 1 . . . B 15 GLN N . 19602 1
166 . 1 1 17 17 LYS H H 1 8.588 0.006 . 1 . . . B 16 LYS H . 19602 1
167 . 1 1 17 17 LYS HA H 1 4.262 0.004 . 1 . . . B 16 LYS HA . 19602 1
168 . 1 1 17 17 LYS HB2 H 1 1.860 0.009 . 2 . . . B 16 LYS HB2 . 19602 1
169 . 1 1 17 17 LYS HB3 H 1 1.785 0.010 . 2 . . . B 16 LYS HB3 . 19602 1
170 . 1 1 17 17 LYS HG2 H 1 1.486 0.004 . 2 . . . B 16 LYS HG2 . 19602 1
171 . 1 1 17 17 LYS HG3 H 1 1.439 0.005 . 2 . . . B 16 LYS HG3 . 19602 1
172 . 1 1 17 17 LYS HD2 H 1 1.694 0.006 . 2 . . . B 16 LYS HD2 . 19602 1
173 . 1 1 17 17 LYS HD3 H 1 1.694 0.006 . 2 . . . B 16 LYS HD3 . 19602 1
174 . 1 1 17 17 LYS HE2 H 1 2.987 0.004 . 2 . . . B 16 LYS HE2 . 19602 1
175 . 1 1 17 17 LYS HE3 H 1 2.987 0.004 . 2 . . . B 16 LYS HE3 . 19602 1
176 . 1 1 17 17 LYS CA C 13 56.193 0.024 . 1 . . . B 16 LYS CA . 19602 1
177 . 1 1 17 17 LYS CB C 13 32.953 0.024 . 1 . . . B 16 LYS CB . 19602 1
178 . 1 1 17 17 LYS CG C 13 24.836 0.020 . 1 . . . B 16 LYS CG . 19602 1
179 . 1 1 17 17 LYS CD C 13 28.928 0.020 . 1 . . . B 16 LYS CD . 19602 1
180 . 1 1 17 17 LYS CE C 13 41.772 0.020 . 1 . . . B 16 LYS CE . 19602 1
181 . 1 1 17 17 LYS N N 15 123.71 0.020 . 1 . . . B 16 LYS N . 19602 1
stop_
save_