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 51896
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name ShKT_Ts1_chemical_shift
_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 '2D 1H-15N HSQC' . . . 51896 1
2 '3D 1H-15N NOESY' . . . 51896 1
3 '3D 1H-15N TOCSY' . . . 51896 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 $software_1 . . 51896 1
2 $software_2 . . 51896 1
3 $software_3 . . 51896 1
4 $software_4 . . 51896 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 3.760 0.000 . 1 . . . . . 1 GLY HA2 . 51896 1
2 . 1 . 1 1 1 GLY HA3 H 1 3.814 0.030 . 1 . . . . . 1 GLY HA3 . 51896 1
3 . 1 . 1 1 1 GLY CA C 13 43.329 0.000 . 1 . . . . . 1 GLY CA . 51896 1
4 . 1 . 1 2 2 ALA H H 1 8.596 0.021 . 1 . . . . . 2 ALA H . 51896 1
5 . 1 . 1 2 2 ALA HA H 1 4.306 0.008 . 1 . . . . . 2 ALA HA . 51896 1
6 . 1 . 1 2 2 ALA HB1 H 1 1.344 0.017 . 1 . . . . . 2 ALA HB1 . 51896 1
7 . 1 . 1 2 2 ALA HB2 H 1 1.344 0.017 . 1 . . . . . 2 ALA HB2 . 51896 1
8 . 1 . 1 2 2 ALA HB3 H 1 1.344 0.017 . 1 . . . . . 2 ALA HB3 . 51896 1
9 . 1 . 1 2 2 ALA CA C 13 49.705 0.000 . 1 . . . . . 2 ALA CA . 51896 1
10 . 1 . 1 2 2 ALA CB C 13 16.658 0.000 . 1 . . . . . 2 ALA CB . 51896 1
11 . 1 . 1 2 2 ALA N N 15 123.313 0.000 . 1 . . . . . 2 ALA N . 51896 1
12 . 1 . 1 3 3 CYS H H 1 8.630 0.016 . 1 . . . . . 3 CYS H . 51896 1
13 . 1 . 1 3 3 CYS HA H 1 4.826 0.009 . 1 . . . . . 3 CYS HA . 51896 1
14 . 1 . 1 3 3 CYS HB2 H 1 3.012 0.014 . 2 . . . . . 3 CYS HB2 . 51896 1
15 . 1 . 1 3 3 CYS HB3 H 1 2.875 0.012 . 2 . . . . . 3 CYS HB3 . 51896 1
16 . 1 . 1 3 3 CYS CA C 13 60.219 0.000 . 1 . . . . . 3 CYS CA . 51896 1
17 . 1 . 1 3 3 CYS CB C 13 37.357 2.264 . 1 . . . . . 3 CYS CB . 51896 1
18 . 1 . 1 3 3 CYS N N 15 120.688 0.000 . 1 . . . . . 3 CYS N . 51896 1
19 . 1 . 1 4 4 GLU H H 1 8.129 0.008 . 1 . . . . . 4 GLU H . 51896 1
20 . 1 . 1 4 4 GLU HA H 1 4.614 0.008 . 1 . . . . . 4 GLU HA . 51896 1
21 . 1 . 1 4 4 GLU HB2 H 1 1.761 0.012 . 1 . . . . . 4 GLU HB2 . 51896 1
22 . 1 . 1 4 4 GLU HB3 H 1 1.760 0.011 . 1 . . . . . 4 GLU HB3 . 51896 1
23 . 1 . 1 4 4 GLU HG2 H 1 2.248 0.002 . 2 . . . . . 4 GLU HG2 . 51896 1
24 . 1 . 1 4 4 GLU HG3 H 1 2.120 0.018 . 2 . . . . . 4 GLU HG3 . 51896 1
25 . 1 . 1 4 4 GLU CA C 13 52.595 0.000 . 1 . . . . . 4 GLU CA . 51896 1
26 . 1 . 1 4 4 GLU CB C 13 28.598 0.000 . 1 . . . . . 4 GLU CB . 51896 1
27 . 1 . 1 4 4 GLU CG C 13 33.157 0.037 . 1 . . . . . 4 GLU CG . 51896 1
28 . 1 . 1 4 4 GLU N N 15 123.956 0.000 . 1 . . . . . 4 GLU N . 51896 1
29 . 1 . 1 5 5 ASN H H 1 9.197 0.013 . 1 . . . . . 5 ASN H . 51896 1
30 . 1 . 1 5 5 ASN HA H 1 4.640 0.004 . 1 . . . . . 5 ASN HA . 51896 1
31 . 1 . 1 5 5 ASN HB2 H 1 3.236 0.018 . 2 . . . . . 5 ASN HB2 . 51896 1
32 . 1 . 1 5 5 ASN HB3 H 1 2.892 0.010 . 2 . . . . . 5 ASN HB3 . 51896 1
33 . 1 . 1 5 5 ASN HD21 H 1 8.265 0.005 . 1 . . . . . 5 ASN HD21 . 51896 1
34 . 1 . 1 5 5 ASN HD22 H 1 7.436 0.005 . 1 . . . . . 5 ASN HD22 . 51896 1
35 . 1 . 1 5 5 ASN CA C 13 50.820 0.000 . 1 . . . . . 5 ASN CA . 51896 1
36 . 1 . 1 5 5 ASN CB C 13 37.735 0.013 . 1 . . . . . 5 ASN CB . 51896 1
37 . 1 . 1 5 5 ASN N N 15 119.688 0.000 . 1 . . . . . 5 ASN N . 51896 1
38 . 1 . 1 5 5 ASN ND2 N 15 116.693 0.002 . 1 . . . . . 5 ASN ND2 . 51896 1
39 . 1 . 1 6 6 ASN H H 1 7.995 0.011 . 1 . . . . . 6 ASN H . 51896 1
40 . 1 . 1 6 6 ASN HA H 1 4.891 0.005 . 1 . . . . . 6 ASN HA . 51896 1
41 . 1 . 1 6 6 ASN HB2 H 1 2.898 0.007 . 2 . . . . . 6 ASN HB2 . 51896 1
42 . 1 . 1 6 6 ASN HB3 H 1 2.814 0.006 . 2 . . . . . 6 ASN HB3 . 51896 1
43 . 1 . 1 6 6 ASN HD21 H 1 7.744 0.009 . 1 . . . . . 6 ASN HD21 . 51896 1
44 . 1 . 1 6 6 ASN HD22 H 1 6.952 0.010 . 1 . . . . . 6 ASN HD22 . 51896 1
45 . 1 . 1 6 6 ASN CA C 13 52.222 0.000 . 1 . . . . . 6 ASN CA . 51896 1
46 . 1 . 1 6 6 ASN CB C 13 37.847 0.019 . 1 . . . . . 6 ASN CB . 51896 1
47 . 1 . 1 6 6 ASN N N 15 118.689 0.000 . 1 . . . . . 6 ASN N . 51896 1
48 . 1 . 1 6 6 ASN ND2 N 15 113.601 0.001 . 1 . . . . . 6 ASN ND2 . 51896 1
49 . 1 . 1 7 7 PHE H H 1 7.337 0.004 . 1 . . . . . 7 PHE H . 51896 1
50 . 1 . 1 7 7 PHE HA H 1 4.911 0.004 . 1 . . . . . 7 PHE HA . 51896 1
51 . 1 . 1 7 7 PHE HB2 H 1 3.237 0.014 . 1 . . . . . 7 PHE HB2 . 51896 1
52 . 1 . 1 7 7 PHE HB3 H 1 3.237 0.014 . 1 . . . . . 7 PHE HB3 . 51896 1
53 . 1 . 1 7 7 PHE HD1 H 1 7.154 0.021 . 1 . . . . . 7 PHE HD1 . 51896 1
54 . 1 . 1 7 7 PHE HD2 H 1 7.154 0.021 . 1 . . . . . 7 PHE HD2 . 51896 1
55 . 1 . 1 7 7 PHE HE1 H 1 7.404 0.034 . 1 . . . . . 7 PHE HE1 . 51896 1
56 . 1 . 1 7 7 PHE HE2 H 1 7.404 0.034 . 1 . . . . . 7 PHE HE2 . 51896 1
57 . 1 . 1 7 7 PHE HZ H 1 7.429 0.010 . 1 . . . . . 7 PHE HZ . 51896 1
58 . 1 . 1 7 7 PHE CA C 13 57.596 0.000 . 1 . . . . . 7 PHE CA . 51896 1
59 . 1 . 1 7 7 PHE CB C 13 40.477 0.000 . 1 . . . . . 7 PHE CB . 51896 1
60 . 1 . 1 7 7 PHE CD1 C 13 127.052 0.000 . 1 . . . . . 7 PHE CD1 . 51896 1
61 . 1 . 1 7 7 PHE CD2 C 13 127.052 0.000 . 1 . . . . . 7 PHE CD2 . 51896 1
62 . 1 . 1 7 7 PHE CE1 C 13 126.733 0.000 . 1 . . . . . 7 PHE CE1 . 51896 1
63 . 1 . 1 7 7 PHE CE2 C 13 126.733 0.000 . 1 . . . . . 7 PHE CE2 . 51896 1
64 . 1 . 1 7 7 PHE CZ C 13 128.752 0.000 . 1 . . . . . 7 PHE CZ . 51896 1
65 . 1 . 1 7 7 PHE N N 15 118.370 0.000 . 1 . . . . . 7 PHE N . 51896 1
66 . 1 . 1 8 8 SER H H 1 8.457 0.007 . 1 . . . . . 8 SER H . 51896 1
67 . 1 . 1 8 8 SER HA H 1 4.278 0.023 . 1 . . . . . 8 SER HA . 51896 1
68 . 1 . 1 8 8 SER HB2 H 1 4.018 0.015 . 2 . . . . . 8 SER HB2 . 51896 1
69 . 1 . 1 8 8 SER HB3 H 1 4.236 0.014 . 2 . . . . . 8 SER HB3 . 51896 1
70 . 1 . 1 8 8 SER CA C 13 55.175 0.000 . 1 . . . . . 8 SER CA . 51896 1
71 . 1 . 1 8 8 SER CB C 13 61.294 0.000 . 1 . . . . . 8 SER CB . 51896 1
72 . 1 . 1 8 8 SER N N 15 113.624 0.000 . 1 . . . . . 8 SER N . 51896 1
73 . 1 . 1 9 9 ASP H H 1 8.847 0.004 . 1 . . . . . 9 ASP H . 51896 1
74 . 1 . 1 9 9 ASP HA H 1 4.124 0.008 . 1 . . . . . 9 ASP HA . 51896 1
75 . 1 . 1 9 9 ASP HB2 H 1 2.615 0.005 . 2 . . . . . 9 ASP HB2 . 51896 1
76 . 1 . 1 9 9 ASP HB3 H 1 2.706 0.010 . 2 . . . . . 9 ASP HB3 . 51896 1
77 . 1 . 1 9 9 ASP CA C 13 56.160 0.000 . 1 . . . . . 9 ASP CA . 51896 1
78 . 1 . 1 9 9 ASP CB C 13 36.583 0.000 . 1 . . . . . 9 ASP CB . 51896 1
79 . 1 . 1 9 9 ASP N N 15 123.526 0.000 . 1 . . . . . 9 ASP N . 51896 1
80 . 1 . 1 10 10 ARG H H 1 8.322 0.008 . 1 . . . . . 10 ARG H . 51896 1
81 . 1 . 1 10 10 ARG HA H 1 4.059 0.007 . 1 . . . . . 10 ARG HA . 51896 1
82 . 1 . 1 10 10 ARG HB2 H 1 1.746 0.029 . 2 . . . . . 10 ARG HB2 . 51896 1
83 . 1 . 1 10 10 ARG HB3 H 1 1.858 0.012 . 2 . . . . . 10 ARG HB3 . 51896 1
84 . 1 . 1 10 10 ARG HG2 H 1 1.691 0.018 . 1 . . . . . 10 ARG HG2 . 51896 1
85 . 1 . 1 10 10 ARG HG3 H 1 1.692 0.018 . 1 . . . . . 10 ARG HG3 . 51896 1
86 . 1 . 1 10 10 ARG HD2 H 1 3.218 0.006 . 1 . . . . . 10 ARG HD2 . 51896 1
87 . 1 . 1 10 10 ARG HD3 H 1 3.218 0.006 . 1 . . . . . 10 ARG HD3 . 51896 1
88 . 1 . 1 10 10 ARG HE H 1 7.234 0.003 . 1 . . . . . 10 ARG HE . 51896 1
89 . 1 . 1 10 10 ARG CA C 13 56.635 0.000 . 1 . . . . . 10 ARG CA . 51896 1
90 . 1 . 1 10 10 ARG CB C 13 29.332 0.005 . 1 . . . . . 10 ARG CB . 51896 1
91 . 1 . 1 10 10 ARG CG C 13 26.926 0.000 . 1 . . . . . 10 ARG CG . 51896 1
92 . 1 . 1 10 10 ARG CD C 13 41.182 0.000 . 1 . . . . . 10 ARG CD . 51896 1
93 . 1 . 1 10 10 ARG N N 15 117.378 0.000 . 1 . . . . . 10 ARG N . 51896 1
94 . 1 . 1 10 10 ARG NE N 15 84.524 0.000 . 1 . . . . . 10 ARG NE . 51896 1
95 . 1 . 1 11 11 GLU H H 1 7.752 0.011 . 1 . . . . . 11 GLU H . 51896 1
96 . 1 . 1 11 11 GLU HA H 1 4.245 0.005 . 1 . . . . . 11 GLU HA . 51896 1
97 . 1 . 1 11 11 GLU HB2 H 1 2.053 0.010 . 1 . . . . . 11 GLU HB2 . 51896 1
98 . 1 . 1 11 11 GLU HB3 H 1 2.053 0.010 . 1 . . . . . 11 GLU HB3 . 51896 1
99 . 1 . 1 11 11 GLU HG2 H 1 2.195 0.005 . 1 . . . . . 11 GLU HG2 . 51896 1
100 . 1 . 1 11 11 GLU HG3 H 1 2.196 0.005 . 1 . . . . . 11 GLU HG3 . 51896 1
101 . 1 . 1 11 11 GLU CA C 13 54.664 0.000 . 1 . . . . . 11 GLU CA . 51896 1
102 . 1 . 1 11 11 GLU CB C 13 26.399 0.000 . 1 . . . . . 11 GLU CB . 51896 1
103 . 1 . 1 11 11 GLU CG C 13 31.199 0.000 . 1 . . . . . 11 GLU CG . 51896 1
104 . 1 . 1 11 11 GLU N N 15 122.332 0.000 . 1 . . . . . 11 GLU N . 51896 1
105 . 1 . 1 12 12 CYS H H 1 8.609 0.004 . 1 . . . . . 12 CYS H . 51896 1
106 . 1 . 1 12 12 CYS HA H 1 4.543 0.007 . 1 . . . . . 12 CYS HA . 51896 1
107 . 1 . 1 12 12 CYS HB2 H 1 2.914 0.028 . 2 . . . . . 12 CYS HB2 . 51896 1
108 . 1 . 1 12 12 CYS HB3 H 1 2.951 0.014 . 2 . . . . . 12 CYS HB3 . 51896 1
109 . 1 . 1 12 12 CYS CA C 13 52.713 0.000 . 1 . . . . . 12 CYS CA . 51896 1
110 . 1 . 1 12 12 CYS CB C 13 36.096 0.003 . 1 . . . . . 12 CYS CB . 51896 1
111 . 1 . 1 12 12 CYS N N 15 117.300 0.000 . 1 . . . . . 12 CYS N . 51896 1
112 . 1 . 1 13 13 GLU H H 1 8.379 0.004 . 1 . . . . . 13 GLU H . 51896 1
113 . 1 . 1 13 13 GLU HA H 1 3.970 0.005 . 1 . . . . . 13 GLU HA . 51896 1
114 . 1 . 1 13 13 GLU HB2 H 1 2.100 0.006 . 1 . . . . . 13 GLU HB2 . 51896 1
115 . 1 . 1 13 13 GLU HB3 H 1 2.099 0.009 . 1 . . . . . 13 GLU HB3 . 51896 1
116 . 1 . 1 13 13 GLU HG2 H 1 2.382 0.004 . 1 . . . . . 13 GLU HG2 . 51896 1
117 . 1 . 1 13 13 GLU HG3 H 1 2.380 0.006 . 1 . . . . . 13 GLU HG3 . 51896 1
118 . 1 . 1 13 13 GLU CB C 13 27.771 0.000 . 1 . . . . . 13 GLU CB . 51896 1
119 . 1 . 1 13 13 GLU CG C 13 33.286 0.000 . 1 . . . . . 13 GLU CG . 51896 1
120 . 1 . 1 13 13 GLU N N 15 116.643 0.000 . 1 . . . . . 13 GLU N . 51896 1
121 . 1 . 1 14 14 ARG H H 1 7.974 0.010 . 1 . . . . . 14 ARG H . 51896 1
122 . 1 . 1 14 14 ARG HA H 1 4.137 0.013 . 1 . . . . . 14 ARG HA . 51896 1
123 . 1 . 1 14 14 ARG HB2 H 1 2.033 0.009 . 1 . . . . . 14 ARG HB2 . 51896 1
124 . 1 . 1 14 14 ARG HB3 H 1 2.034 0.009 . 1 . . . . . 14 ARG HB3 . 51896 1
125 . 1 . 1 14 14 ARG HG2 H 1 1.694 0.019 . 2 . . . . . 14 ARG HG2 . 51896 1
126 . 1 . 1 14 14 ARG HG3 H 1 1.767 0.019 . 2 . . . . . 14 ARG HG3 . 51896 1
127 . 1 . 1 14 14 ARG HD2 H 1 3.125 0.016 . 2 . . . . . 14 ARG HD2 . 51896 1
128 . 1 . 1 14 14 ARG HD3 H 1 3.314 0.014 . 2 . . . . . 14 ARG HD3 . 51896 1
129 . 1 . 1 14 14 ARG HE H 1 7.708 0.036 . 1 . . . . . 14 ARG HE . 51896 1
130 . 1 . 1 14 14 ARG CA C 13 56.742 0.086 . 1 . . . . . 14 ARG CA . 51896 1
131 . 1 . 1 14 14 ARG CB C 13 29.948 0.000 . 1 . . . . . 14 ARG CB . 51896 1
132 . 1 . 1 14 14 ARG CG C 13 27.086 0.007 . 1 . . . . . 14 ARG CG . 51896 1
133 . 1 . 1 14 14 ARG CD C 13 40.976 0.243 . 1 . . . . . 14 ARG CD . 51896 1
134 . 1 . 1 14 14 ARG N N 15 120.693 0.000 . 1 . . . . . 14 ARG N . 51896 1
135 . 1 . 1 14 14 ARG NE N 15 83.554 0.000 . 1 . . . . . 14 ARG NE . 51896 1
136 . 1 . 1 15 15 ARG H H 1 7.768 0.010 . 1 . . . . . 15 ARG H . 51896 1
137 . 1 . 1 15 15 ARG HA H 1 4.402 0.016 . 1 . . . . . 15 ARG HA . 51896 1
138 . 1 . 1 15 15 ARG HB2 H 1 2.459 0.010 . 1 . . . . . 15 ARG HB2 . 51896 1
139 . 1 . 1 15 15 ARG HB3 H 1 2.459 0.011 . 1 . . . . . 15 ARG HB3 . 51896 1
140 . 1 . 1 15 15 ARG HG2 H 1 1.792 0.021 . 2 . . . . . 15 ARG HG2 . 51896 1
141 . 1 . 1 15 15 ARG HG3 H 1 1.541 0.010 . 2 . . . . . 15 ARG HG3 . 51896 1
142 . 1 . 1 15 15 ARG HD2 H 1 3.049 0.016 . 2 . . . . . 15 ARG HD2 . 51896 1
143 . 1 . 1 15 15 ARG HD3 H 1 3.331 0.001 . 2 . . . . . 15 ARG HD3 . 51896 1
144 . 1 . 1 15 15 ARG HE H 1 7.305 0.012 . 1 . . . . . 15 ARG HE . 51896 1
145 . 1 . 1 15 15 ARG CB C 13 28.380 0.000 . 1 . . . . . 15 ARG CB . 51896 1
146 . 1 . 1 15 15 ARG CG C 13 24.283 0.030 . 1 . . . . . 15 ARG CG . 51896 1
147 . 1 . 1 15 15 ARG CD C 13 41.771 0.012 . 1 . . . . . 15 ARG CD . 51896 1
148 . 1 . 1 15 15 ARG N N 15 117.043 0.000 . 1 . . . . . 15 ARG N . 51896 1
149 . 1 . 1 15 15 ARG NE N 15 84.627 0.000 . 1 . . . . . 15 ARG NE . 51896 1
150 . 1 . 1 16 16 LYS H H 1 7.069 0.006 . 1 . . . . . 16 LYS H . 51896 1
151 . 1 . 1 16 16 LYS HA H 1 4.201 0.004 . 1 . . . . . 16 LYS HA . 51896 1
152 . 1 . 1 16 16 LYS HG2 H 1 1.764 0.009 . 2 . . . . . 16 LYS HG2 . 51896 1
153 . 1 . 1 16 16 LYS HG3 H 1 1.586 0.002 . 2 . . . . . 16 LYS HG3 . 51896 1
154 . 1 . 1 16 16 LYS HD2 H 1 2.005 0.022 . 2 . . . . . 16 LYS HD2 . 51896 1
155 . 1 . 1 16 16 LYS HD3 H 1 1.975 0.019 . 2 . . . . . 16 LYS HD3 . 51896 1
156 . 1 . 1 16 16 LYS HE2 H 1 3.019 0.011 . 1 . . . . . 16 LYS HE2 . 51896 1
157 . 1 . 1 16 16 LYS HE3 H 1 3.019 0.010 . 1 . . . . . 16 LYS HE3 . 51896 1
158 . 1 . 1 16 16 LYS CA C 13 57.386 0.000 . 1 . . . . . 16 LYS CA . 51896 1
159 . 1 . 1 16 16 LYS CG C 13 25.198 0.000 . 1 . . . . . 16 LYS CG . 51896 1
160 . 1 . 1 16 16 LYS CD C 13 27.693 0.003 . 1 . . . . . 16 LYS CD . 51896 1
161 . 1 . 1 16 16 LYS CE C 13 39.407 0.000 . 1 . . . . . 16 LYS CE . 51896 1
162 . 1 . 1 16 16 LYS N N 15 119.603 0.000 . 1 . . . . . 16 LYS N . 51896 1
163 . 1 . 1 17 17 LYS H H 1 8.641 0.007 . 1 . . . . . 17 LYS H . 51896 1
164 . 1 . 1 17 17 LYS HA H 1 4.146 0.005 . 1 . . . . . 17 LYS HA . 51896 1
165 . 1 . 1 17 17 LYS HB2 H 1 1.673 0.022 . 1 . . . . . 17 LYS HB2 . 51896 1
166 . 1 . 1 17 17 LYS HB3 H 1 1.671 0.022 . 1 . . . . . 17 LYS HB3 . 51896 1
167 . 1 . 1 17 17 LYS HG2 H 1 1.443 0.021 . 2 . . . . . 17 LYS HG2 . 51896 1
168 . 1 . 1 17 17 LYS HG3 H 1 1.412 0.027 . 2 . . . . . 17 LYS HG3 . 51896 1
169 . 1 . 1 17 17 LYS HD2 H 1 1.769 0.015 . 1 . . . . . 17 LYS HD2 . 51896 1
170 . 1 . 1 17 17 LYS HD3 H 1 1.768 0.015 . 1 . . . . . 17 LYS HD3 . 51896 1
171 . 1 . 1 17 17 LYS HE2 H 1 2.982 0.011 . 1 . . . . . 17 LYS HE2 . 51896 1
172 . 1 . 1 17 17 LYS HE3 H 1 2.978 0.005 . 1 . . . . . 17 LYS HE3 . 51896 1
173 . 1 . 1 17 17 LYS HZ1 H 1 7.072 0.003 . 1 . . . . . 17 LYS HZ1 . 51896 1
174 . 1 . 1 17 17 LYS HZ2 H 1 7.072 0.003 . 1 . . . . . 17 LYS HZ2 . 51896 1
175 . 1 . 1 17 17 LYS HZ3 H 1 7.072 0.003 . 1 . . . . . 17 LYS HZ3 . 51896 1
176 . 1 . 1 17 17 LYS CB C 13 39.300 0.000 . 1 . . . . . 17 LYS CB . 51896 1
177 . 1 . 1 17 17 LYS CG C 13 21.853 0.010 . 1 . . . . . 17 LYS CG . 51896 1
178 . 1 . 1 17 17 LYS CD C 13 29.599 0.000 . 1 . . . . . 17 LYS CD . 51896 1
179 . 1 . 1 17 17 LYS CE C 13 41.925 0.000 . 1 . . . . . 17 LYS CE . 51896 1
180 . 1 . 1 17 17 LYS N N 15 120.565 0.000 . 1 . . . . . 17 LYS N . 51896 1
181 . 1 . 1 18 18 ASP H H 1 8.594 0.037 . 1 . . . . . 18 ASP H . 51896 1
182 . 1 . 1 18 18 ASP HA H 1 4.386 0.010 . 1 . . . . . 18 ASP HA . 51896 1
183 . 1 . 1 18 18 ASP HB2 H 1 1.783 0.023 . 2 . . . . . 18 ASP HB2 . 51896 1
184 . 1 . 1 18 18 ASP HB3 H 1 1.633 0.024 . 2 . . . . . 18 ASP HB3 . 51896 1
185 . 1 . 1 18 18 ASP CB C 13 40.580 0.000 . 1 . . . . . 18 ASP CB . 51896 1
186 . 1 . 1 18 18 ASP N N 15 121.129 0.000 . 1 . . . . . 18 ASP N . 51896 1
187 . 1 . 1 19 19 CYS H H 1 8.004 0.012 . 1 . . . . . 19 CYS H . 51896 1
188 . 1 . 1 19 19 CYS HA H 1 4.415 0.015 . 1 . . . . . 19 CYS HA . 51896 1
189 . 1 . 1 19 19 CYS HB2 H 1 3.026 0.013 . 2 . . . . . 19 CYS HB2 . 51896 1
190 . 1 . 1 19 19 CYS HB3 H 1 3.340 0.005 . 2 . . . . . 19 CYS HB3 . 51896 1
191 . 1 . 1 19 19 CYS CA C 13 55.160 0.000 . 1 . . . . . 19 CYS CA . 51896 1
192 . 1 . 1 19 19 CYS CB C 13 34.515 0.011 . 1 . . . . . 19 CYS CB . 51896 1
193 . 1 . 1 19 19 CYS N N 15 117.973 0.000 . 1 . . . . . 19 CYS N . 51896 1
194 . 1 . 1 20 20 ASP H H 1 7.664 0.009 . 1 . . . . . 20 ASP H . 51896 1
195 . 1 . 1 20 20 ASP HA H 1 4.607 0.002 . 1 . . . . . 20 ASP HA . 51896 1
196 . 1 . 1 20 20 ASP HB2 H 1 2.672 0.007 . 2 . . . . . 20 ASP HB2 . 51896 1
197 . 1 . 1 20 20 ASP HB3 H 1 2.784 0.012 . 2 . . . . . 20 ASP HB3 . 51896 1
198 . 1 . 1 20 20 ASP CA C 13 55.803 0.000 . 1 . . . . . 20 ASP CA . 51896 1
199 . 1 . 1 20 20 ASP CB C 13 38.262 0.005 . 1 . . . . . 20 ASP CB . 51896 1
200 . 1 . 1 20 20 ASP N N 15 113.870 0.000 . 1 . . . . . 20 ASP N . 51896 1
201 . 1 . 1 21 21 SER H H 1 7.403 0.008 . 1 . . . . . 21 SER H . 51896 1
202 . 1 . 1 21 21 SER HA H 1 4.604 0.005 . 1 . . . . . 21 SER HA . 51896 1
203 . 1 . 1 21 21 SER HB2 H 1 3.907 0.006 . 2 . . . . . 21 SER HB2 . 51896 1
204 . 1 . 1 21 21 SER HB3 H 1 3.744 0.009 . 2 . . . . . 21 SER HB3 . 51896 1
205 . 1 . 1 21 21 SER CA C 13 51.416 0.000 . 1 . . . . . 21 SER CA . 51896 1
206 . 1 . 1 21 21 SER CB C 13 61.981 0.003 . 1 . . . . . 21 SER CB . 51896 1
207 . 1 . 1 21 21 SER N N 15 116.561 0.000 . 1 . . . . . 21 SER N . 51896 1
208 . 1 . 1 22 22 SER H H 1 7.515 0.012 . 1 . . . . . 22 SER H . 51896 1
209 . 1 . 1 22 22 SER HA H 1 4.936 0.004 . 1 . . . . . 22 SER HA . 51896 1
210 . 1 . 1 22 22 SER HB2 H 1 3.899 0.006 . 1 . . . . . 22 SER HB2 . 51896 1
211 . 1 . 1 22 22 SER HB3 H 1 3.900 0.007 . 1 . . . . . 22 SER HB3 . 51896 1
212 . 1 . 1 22 22 SER CA C 13 59.363 0.000 . 1 . . . . . 22 SER CA . 51896 1
213 . 1 . 1 22 22 SER CB C 13 60.109 0.000 . 1 . . . . . 22 SER CB . 51896 1
214 . 1 . 1 22 22 SER N N 15 115.894 0.000 . 1 . . . . . 22 SER N . 51896 1
215 . 1 . 1 23 23 MET H H 1 8.977 0.001 . 1 . . . . . 23 MET H . 51896 1
216 . 1 . 1 23 23 MET HA H 1 4.115 0.007 . 1 . . . . . 23 MET HA . 51896 1
217 . 1 . 1 23 23 MET HB2 H 1 2.052 0.010 . 2 . . . . . 23 MET HB2 . 51896 1
218 . 1 . 1 23 23 MET HB3 H 1 2.129 0.007 . 2 . . . . . 23 MET HB3 . 51896 1
219 . 1 . 1 23 23 MET HG2 H 1 2.600 0.017 . 2 . . . . . 23 MET HG2 . 51896 1
220 . 1 . 1 23 23 MET HG3 H 1 2.503 0.022 . 2 . . . . . 23 MET HG3 . 51896 1
221 . 1 . 1 23 23 MET HE1 H 1 2.062 0.018 . 1 . . . . . 23 MET HE1 . 51896 1
222 . 1 . 1 23 23 MET HE2 H 1 2.062 0.018 . 1 . . . . . 23 MET HE2 . 51896 1
223 . 1 . 1 23 23 MET HE3 H 1 2.062 0.018 . 1 . . . . . 23 MET HE3 . 51896 1
224 . 1 . 1 23 23 MET CA C 13 55.541 0.000 . 1 . . . . . 23 MET CA . 51896 1
225 . 1 . 1 23 23 MET CB C 13 29.185 0.005 . 1 . . . . . 23 MET CB . 51896 1
226 . 1 . 1 23 23 MET CG C 13 29.195 0.021 . 1 . . . . . 23 MET CG . 51896 1
227 . 1 . 1 23 23 MET CE C 13 14.327 0.000 . 1 . . . . . 23 MET CE . 51896 1
228 . 1 . 1 23 23 MET N N 15 130.367 0.000 . 1 . . . . . 23 MET N . 51896 1
229 . 1 . 1 24 24 LYS H H 1 8.446 0.005 . 1 . . . . . 24 LYS H . 51896 1
230 . 1 . 1 24 24 LYS HA H 1 3.999 0.010 . 1 . . . . . 24 LYS HA . 51896 1
231 . 1 . 1 24 24 LYS HB2 H 1 1.855 0.011 . 1 . . . . . 24 LYS HB2 . 51896 1
232 . 1 . 1 24 24 LYS HB3 H 1 1.854 0.012 . 1 . . . . . 24 LYS HB3 . 51896 1
233 . 1 . 1 24 24 LYS HG2 H 1 1.360 0.001 . 2 . . . . . 24 LYS HG2 . 51896 1
234 . 1 . 1 24 24 LYS HG3 H 1 1.518 0.014 . 2 . . . . . 24 LYS HG3 . 51896 1
235 . 1 . 1 24 24 LYS HD2 H 1 1.688 0.007 . 1 . . . . . 24 LYS HD2 . 51896 1
236 . 1 . 1 24 24 LYS HD3 H 1 1.687 0.007 . 1 . . . . . 24 LYS HD3 . 51896 1
237 . 1 . 1 24 24 LYS HE2 H 1 2.949 0.011 . 1 . . . . . 24 LYS HE2 . 51896 1
238 . 1 . 1 24 24 LYS HE3 H 1 2.949 0.011 . 1 . . . . . 24 LYS HE3 . 51896 1
239 . 1 . 1 24 24 LYS CA C 13 56.834 0.017 . 1 . . . . . 24 LYS CA . 51896 1
240 . 1 . 1 24 24 LYS CB C 13 29.662 0.000 . 1 . . . . . 24 LYS CB . 51896 1
241 . 1 . 1 24 24 LYS CG C 13 22.590 0.018 . 1 . . . . . 24 LYS CG . 51896 1
242 . 1 . 1 24 24 LYS CD C 13 27.601 0.000 . 1 . . . . . 24 LYS CD . 51896 1
243 . 1 . 1 24 24 LYS CE C 13 39.934 0.000 . 1 . . . . . 24 LYS CE . 51896 1
244 . 1 . 1 24 24 LYS N N 15 113.830 0.000 . 1 . . . . . 24 LYS N . 51896 1
245 . 1 . 1 25 25 PHE H H 1 7.937 0.009 . 1 . . . . . 25 PHE H . 51896 1
246 . 1 . 1 25 25 PHE HA H 1 3.923 0.015 . 1 . . . . . 25 PHE HA . 51896 1
247 . 1 . 1 25 25 PHE HB2 H 1 3.087 0.023 . 2 . . . . . 25 PHE HB2 . 51896 1
248 . 1 . 1 25 25 PHE HB3 H 1 3.142 0.013 . 2 . . . . . 25 PHE HB3 . 51896 1
249 . 1 . 1 25 25 PHE HD1 H 1 6.967 0.006 . 1 . . . . . 25 PHE HD1 . 51896 1
250 . 1 . 1 25 25 PHE HD2 H 1 6.967 0.006 . 1 . . . . . 25 PHE HD2 . 51896 1
251 . 1 . 1 25 25 PHE HE1 H 1 7.412 0.016 . 1 . . . . . 25 PHE HE1 . 51896 1
252 . 1 . 1 25 25 PHE HE2 H 1 7.412 0.016 . 1 . . . . . 25 PHE HE2 . 51896 1
253 . 1 . 1 25 25 PHE HZ H 1 7.169 0.016 . 1 . . . . . 25 PHE HZ . 51896 1
254 . 1 . 1 25 25 PHE CA C 13 58.703 0.000 . 1 . . . . . 25 PHE CA . 51896 1
255 . 1 . 1 25 25 PHE CB C 13 36.727 0.005 . 1 . . . . . 25 PHE CB . 51896 1
256 . 1 . 1 25 25 PHE CD1 C 13 128.506 0.000 . 1 . . . . . 25 PHE CD1 . 51896 1
257 . 1 . 1 25 25 PHE CD2 C 13 128.506 0.000 . 1 . . . . . 25 PHE CD2 . 51896 1
258 . 1 . 1 25 25 PHE CE1 C 13 128.732 0.000 . 1 . . . . . 25 PHE CE1 . 51896 1
259 . 1 . 1 25 25 PHE CE2 C 13 128.732 0.000 . 1 . . . . . 25 PHE CE2 . 51896 1
260 . 1 . 1 25 25 PHE CZ C 13 128.175 0.000 . 1 . . . . . 25 PHE CZ . 51896 1
261 . 1 . 1 25 25 PHE N N 15 120.927 0.000 . 1 . . . . . 25 PHE N . 51896 1
262 . 1 . 1 26 26 ARG H H 1 8.056 0.005 . 1 . . . . . 26 ARG H . 51896 1
263 . 1 . 1 26 26 ARG HA H 1 4.202 0.004 . 1 . . . . . 26 ARG HA . 51896 1
264 . 1 . 1 26 26 ARG HB2 H 1 1.972 0.007 . 2 . . . . . 26 ARG HB2 . 51896 1
265 . 1 . 1 26 26 ARG HB3 H 1 2.115 0.005 . 2 . . . . . 26 ARG HB3 . 51896 1
266 . 1 . 1 26 26 ARG HG2 H 1 1.643 0.013 . 1 . . . . . 26 ARG HG2 . 51896 1
267 . 1 . 1 26 26 ARG HG3 H 1 1.643 0.014 . 1 . . . . . 26 ARG HG3 . 51896 1
268 . 1 . 1 26 26 ARG HD2 H 1 3.273 0.010 . 2 . . . . . 26 ARG HD2 . 51896 1
269 . 1 . 1 26 26 ARG HD3 H 1 3.465 0.007 . 2 . . . . . 26 ARG HD3 . 51896 1
270 . 1 . 1 26 26 ARG HE H 1 7.435 0.021 . 1 . . . . . 26 ARG HE . 51896 1
271 . 1 . 1 26 26 ARG CA C 13 55.540 0.000 . 1 . . . . . 26 ARG CA . 51896 1
272 . 1 . 1 26 26 ARG CB C 13 29.549 0.005 . 1 . . . . . 26 ARG CB . 51896 1
273 . 1 . 1 26 26 ARG CG C 13 26.507 0.000 . 1 . . . . . 26 ARG CG . 51896 1
274 . 1 . 1 26 26 ARG CD C 13 40.794 0.001 . 1 . . . . . 26 ARG CD . 51896 1
275 . 1 . 1 26 26 ARG N N 15 114.691 0.000 . 1 . . . . . 26 ARG N . 51896 1
276 . 1 . 1 26 26 ARG NE N 15 84.923 0.000 . 1 . . . . . 26 ARG NE . 51896 1
277 . 1 . 1 27 27 GLU H H 1 8.252 0.009 . 1 . . . . . 27 GLU H . 51896 1
278 . 1 . 1 27 27 GLU HA H 1 4.277 0.019 . 1 . . . . . 27 GLU HA . 51896 1
279 . 1 . 1 27 27 GLU HB2 H 1 2.000 0.021 . 2 . . . . . 27 GLU HB2 . 51896 1
280 . 1 . 1 27 27 GLU HB3 H 1 2.050 0.015 . 2 . . . . . 27 GLU HB3 . 51896 1
281 . 1 . 1 27 27 GLU HG2 H 1 2.370 0.010 . 2 . . . . . 27 GLU HG2 . 51896 1
282 . 1 . 1 27 27 GLU HG3 H 1 2.545 0.015 . 2 . . . . . 27 GLU HG3 . 51896 1
283 . 1 . 1 27 27 GLU CA C 13 55.979 0.000 . 1 . . . . . 27 GLU CA . 51896 1
284 . 1 . 1 27 27 GLU CB C 13 29.549 0.013 . 1 . . . . . 27 GLU CB . 51896 1
285 . 1 . 1 27 27 GLU CG C 13 32.773 0.126 . 1 . . . . . 27 GLU CG . 51896 1
286 . 1 . 1 27 27 GLU N N 15 115.520 0.000 . 1 . . . . . 27 GLU N . 51896 1
287 . 1 . 1 28 28 LEU H H 1 8.142 0.015 . 1 . . . . . 28 LEU H . 51896 1
288 . 1 . 1 28 28 LEU HA H 1 4.534 0.007 . 1 . . . . . 28 LEU HA . 51896 1
289 . 1 . 1 28 28 LEU HB2 H 1 1.540 0.009 . 1 . . . . . 28 LEU HB2 . 51896 1
290 . 1 . 1 28 28 LEU HB3 H 1 1.540 0.009 . 1 . . . . . 28 LEU HB3 . 51896 1
291 . 1 . 1 28 28 LEU HG H 1 1.836 0.019 . 1 . . . . . 28 LEU HG . 51896 1
292 . 1 . 1 28 28 LEU HD11 H 1 0.808 0.005 . 2 . . . . . 28 LEU HD11 . 51896 1
293 . 1 . 1 28 28 LEU HD12 H 1 0.808 0.005 . 2 . . . . . 28 LEU HD12 . 51896 1
294 . 1 . 1 28 28 LEU HD13 H 1 0.808 0.005 . 2 . . . . . 28 LEU HD13 . 51896 1
295 . 1 . 1 28 28 LEU HD21 H 1 0.885 0.006 . 2 . . . . . 28 LEU HD21 . 51896 1
296 . 1 . 1 28 28 LEU HD22 H 1 0.885 0.006 . 2 . . . . . 28 LEU HD22 . 51896 1
297 . 1 . 1 28 28 LEU HD23 H 1 0.885 0.006 . 2 . . . . . 28 LEU HD23 . 51896 1
298 . 1 . 1 28 28 LEU CA C 13 52.936 0.000 . 1 . . . . . 28 LEU CA . 51896 1
299 . 1 . 1 28 28 LEU CB C 13 39.023 1.135 . 1 . . . . . 28 LEU CB . 51896 1
300 . 1 . 1 28 28 LEU CG C 13 27.360 0.000 . 1 . . . . . 28 LEU CG . 51896 1
301 . 1 . 1 28 28 LEU CD1 C 13 20.419 0.000 . 2 . . . . . 28 LEU CD1 . 51896 1
302 . 1 . 1 28 28 LEU CD2 C 13 22.293 0.000 . 2 . . . . . 28 LEU CD2 . 51896 1
303 . 1 . 1 28 28 LEU N N 15 116.681 0.128 . 1 . . . . . 28 LEU N . 51896 1
304 . 1 . 1 29 29 SER H H 1 7.692 0.007 . 1 . . . . . 29 SER H . 51896 1
305 . 1 . 1 29 29 SER HA H 1 3.969 0.022 . 1 . . . . . 29 SER HA . 51896 1
306 . 1 . 1 29 29 SER HB2 H 1 2.380 0.010 . 2 . . . . . 29 SER HB2 . 51896 1
307 . 1 . 1 29 29 SER HB3 H 1 3.063 0.018 . 2 . . . . . 29 SER HB3 . 51896 1
308 . 1 . 1 29 29 SER CA C 13 58.903 0.000 . 1 . . . . . 29 SER CA . 51896 1
309 . 1 . 1 29 29 SER CB C 13 58.936 0.002 . 1 . . . . . 29 SER CB . 51896 1
310 . 1 . 1 29 29 SER N N 15 115.417 0.000 . 1 . . . . . 29 SER N . 51896 1
311 . 1 . 1 30 30 CYS H H 1 8.159 0.015 . 1 . . . . . 30 CYS H . 51896 1
312 . 1 . 1 30 30 CYS HA H 1 5.253 0.009 . 1 . . . . . 30 CYS HA . 51896 1
313 . 1 . 1 30 30 CYS HB2 H 1 1.538 0.010 . 2 . . . . . 30 CYS HB2 . 51896 1
314 . 1 . 1 30 30 CYS HB3 H 1 2.739 0.008 . 2 . . . . . 30 CYS HB3 . 51896 1
315 . 1 . 1 30 30 CYS CA C 13 50.912 0.000 . 1 . . . . . 30 CYS CA . 51896 1
316 . 1 . 1 30 30 CYS CB C 13 38.264 0.002 . 1 . . . . . 30 CYS CB . 51896 1
317 . 1 . 1 30 30 CYS N N 15 118.819 0.000 . 1 . . . . . 30 CYS N . 51896 1
318 . 1 . 1 31 31 PRO HA H 1 4.531 0.010 . 1 . . . . . 31 PRO HA . 51896 1
319 . 1 . 1 31 31 PRO HB2 H 1 2.029 0.008 . 2 . . . . . 31 PRO HB2 . 51896 1
320 . 1 . 1 31 31 PRO HB3 H 1 1.942 0.012 . 2 . . . . . 31 PRO HB3 . 51896 1
321 . 1 . 1 31 31 PRO HG2 H 1 1.799 0.018 . 2 . . . . . 31 PRO HG2 . 51896 1
322 . 1 . 1 31 31 PRO HG3 H 1 1.945 0.015 . 2 . . . . . 31 PRO HG3 . 51896 1
323 . 1 . 1 31 31 PRO HD2 H 1 2.883 0.013 . 2 . . . . . 31 PRO HD2 . 51896 1
324 . 1 . 1 31 31 PRO HD3 H 1 3.476 0.013 . 2 . . . . . 31 PRO HD3 . 51896 1
325 . 1 . 1 31 31 PRO CA C 13 62.674 0.000 . 1 . . . . . 31 PRO CA . 51896 1
326 . 1 . 1 31 31 PRO CB C 13 24.831 0.023 . 1 . . . . . 31 PRO CB . 51896 1
327 . 1 . 1 31 31 PRO CG C 13 28.653 0.021 . 1 . . . . . 31 PRO CG . 51896 1
328 . 1 . 1 31 31 PRO CD C 13 47.729 0.002 . 1 . . . . . 31 PRO CD . 51896 1
329 . 1 . 1 32 32 LYS H H 1 6.881 0.011 . 1 . . . . . 32 LYS H . 51896 1
330 . 1 . 1 32 32 LYS HA H 1 4.080 0.017 . 1 . . . . . 32 LYS HA . 51896 1
331 . 1 . 1 32 32 LYS HB2 H 1 1.754 0.023 . 2 . . . . . 32 LYS HB2 . 51896 1
332 . 1 . 1 32 32 LYS HB3 H 1 1.614 0.012 . 2 . . . . . 32 LYS HB3 . 51896 1
333 . 1 . 1 32 32 LYS HG2 H 1 1.145 0.009 . 2 . . . . . 32 LYS HG2 . 51896 1
334 . 1 . 1 32 32 LYS HG3 H 1 1.389 0.004 . 2 . . . . . 32 LYS HG3 . 51896 1
335 . 1 . 1 32 32 LYS HD2 H 1 1.284 0.006 . 2 . . . . . 32 LYS HD2 . 51896 1
336 . 1 . 1 32 32 LYS HD3 H 1 1.471 0.010 . 2 . . . . . 32 LYS HD3 . 51896 1
337 . 1 . 1 32 32 LYS HE2 H 1 2.982 0.023 . 2 . . . . . 32 LYS HE2 . 51896 1
338 . 1 . 1 32 32 LYS HE3 H 1 2.884 0.016 . 2 . . . . . 32 LYS HE3 . 51896 1
339 . 1 . 1 32 32 LYS CA C 13 56.296 0.000 . 1 . . . . . 32 LYS CA . 51896 1
340 . 1 . 1 32 32 LYS CB C 13 35.210 0.021 . 1 . . . . . 32 LYS CB . 51896 1
341 . 1 . 1 32 32 LYS CG C 13 22.035 0.035 . 1 . . . . . 32 LYS CG . 51896 1
342 . 1 . 1 32 32 LYS CD C 13 29.426 0.002 . 1 . . . . . 32 LYS CD . 51896 1
343 . 1 . 1 32 32 LYS CE C 13 39.699 0.003 . 1 . . . . . 32 LYS CE . 51896 1
344 . 1 . 1 32 32 LYS N N 15 117.826 0.000 . 1 . . . . . 32 LYS N . 51896 1
345 . 1 . 1 33 33 THR H H 1 8.394 0.007 . 1 . . . . . 33 THR H . 51896 1
346 . 1 . 1 33 33 THR HA H 1 3.916 0.003 . 1 . . . . . 33 THR HA . 51896 1
347 . 1 . 1 33 33 THR HB H 1 3.703 0.005 . 1 . . . . . 33 THR HB . 51896 1
348 . 1 . 1 33 33 THR HG21 H 1 1.155 0.004 . 1 . . . . . 33 THR HG21 . 51896 1
349 . 1 . 1 33 33 THR HG22 H 1 1.155 0.004 . 1 . . . . . 33 THR HG22 . 51896 1
350 . 1 . 1 33 33 THR HG23 H 1 1.155 0.004 . 1 . . . . . 33 THR HG23 . 51896 1
351 . 1 . 1 33 33 THR CA C 13 64.639 0.000 . 1 . . . . . 33 THR CA . 51896 1
352 . 1 . 1 33 33 THR CB C 13 66.831 0.000 . 1 . . . . . 33 THR CB . 51896 1
353 . 1 . 1 33 33 THR CG2 C 13 18.804 0.000 . 1 . . . . . 33 THR CG2 . 51896 1
354 . 1 . 1 33 33 THR N N 15 120.668 0.000 . 1 . . . . . 33 THR N . 51896 1
355 . 1 . 1 34 34 CYS H H 1 8.489 0.006 . 1 . . . . . 34 CYS H . 51896 1
356 . 1 . 1 34 34 CYS HA H 1 4.860 0.014 . 1 . . . . . 34 CYS HA . 51896 1
357 . 1 . 1 34 34 CYS HB2 H 1 2.798 0.013 . 2 . . . . . 34 CYS HB2 . 51896 1
358 . 1 . 1 34 34 CYS HB3 H 1 3.391 0.013 . 2 . . . . . 34 CYS HB3 . 51896 1
359 . 1 . 1 34 34 CYS CA C 13 59.700 0.000 . 1 . . . . . 34 CYS CA . 51896 1
360 . 1 . 1 34 34 CYS CB C 13 33.052 0.004 . 1 . . . . . 34 CYS CB . 51896 1
361 . 1 . 1 34 34 CYS N N 15 113.601 0.000 . 1 . . . . . 34 CYS N . 51896 1
362 . 1 . 1 35 35 GLY H H 1 7.796 0.009 . 1 . . . . . 35 GLY H . 51896 1
363 . 1 . 1 35 35 GLY HA2 H 1 4.074 0.010 . 1 . . . . . 35 GLY HA2 . 51896 1
364 . 1 . 1 35 35 GLY HA3 H 1 4.074 0.011 . 1 . . . . . 35 GLY HA3 . 51896 1
365 . 1 . 1 35 35 GLY CA C 13 43.881 0.000 . 1 . . . . . 35 GLY CA . 51896 1
366 . 1 . 1 35 35 GLY N N 15 109.359 0.000 . 1 . . . . . 35 GLY N . 51896 1
367 . 1 . 1 36 36 THR H H 1 8.762 0.006 . 1 . . . . . 36 THR H . 51896 1
368 . 1 . 1 36 36 THR HA H 1 4.146 0.018 . 1 . . . . . 36 THR HA . 51896 1
369 . 1 . 1 36 36 THR HB H 1 4.330 0.003 . 1 . . . . . 36 THR HB . 51896 1
370 . 1 . 1 36 36 THR HG21 H 1 1.120 0.016 . 1 . . . . . 36 THR HG21 . 51896 1
371 . 1 . 1 36 36 THR HG22 H 1 1.120 0.016 . 1 . . . . . 36 THR HG22 . 51896 1
372 . 1 . 1 36 36 THR HG23 H 1 1.120 0.016 . 1 . . . . . 36 THR HG23 . 51896 1
373 . 1 . 1 36 36 THR CA C 13 59.902 0.000 . 1 . . . . . 36 THR CA . 51896 1
374 . 1 . 1 36 36 THR CB C 13 65.831 0.000 . 1 . . . . . 36 THR CB . 51896 1
375 . 1 . 1 36 36 THR CG2 C 13 20.178 0.000 . 1 . . . . . 36 THR CG2 . 51896 1
376 . 1 . 1 36 36 THR N N 15 115.026 0.000 . 1 . . . . . 36 THR N . 51896 1
377 . 1 . 1 37 37 CYS H H 1 7.537 0.008 . 1 . . . . . 37 CYS H . 51896 1
378 . 1 . 1 37 37 CYS HA H 1 4.399 0.010 . 1 . . . . . 37 CYS HA . 51896 1
379 . 1 . 1 37 37 CYS HB2 H 1 3.428 0.011 . 2 . . . . . 37 CYS HB2 . 51896 1
380 . 1 . 1 37 37 CYS HB3 H 1 2.894 0.010 . 2 . . . . . 37 CYS HB3 . 51896 1
381 . 1 . 1 37 37 CYS CA C 13 53.054 0.000 . 1 . . . . . 37 CYS CA . 51896 1
382 . 1 . 1 37 37 CYS CB C 13 36.332 0.106 . 1 . . . . . 37 CYS CB . 51896 1
383 . 1 . 1 37 37 CYS N N 15 121.523 0.000 . 1 . . . . . 37 CYS N . 51896 1
stop_
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