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 16812
_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 .
_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
2 '3D CBCA(CO)NH' . . . 16812 1
3 '3D HNCO' . . . 16812 1
4 '3D HNCA' . . . 16812 1
5 '3D HNCACB' . . . 16812 1
6 '3D HBHA(CO)NH' . . . 16812 1
7 '3D HCCH-TOCSY' . . . 16812 1
8 '3D HNHA' . . . 16812 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 LYS HA H 1 4.131 0.007 . 1 6 . . . 110 K HA . 16812 1
2 . 1 1 1 1 LYS HB2 H 1 1.448 0.005 . 2 5 . . . 110 K HB2 . 16812 1
3 . 1 1 1 1 LYS HB3 H 1 1.239 0.002 . 2 2 . . . 110 K HB3 . 16812 1
4 . 1 1 1 1 LYS HE2 H 1 2.971 0.001 . 2 2 . . . 110 K QE . 16812 1
5 . 1 1 1 1 LYS HE3 H 1 2.971 0.001 . 2 2 . . . 110 K QE . 16812 1
6 . 1 1 1 1 LYS CA C 13 56.002 0.091 . 1 3 . . . 110 K CA . 16812 1
7 . 1 1 1 1 LYS CB C 13 33.226 0.097 . 1 9 . . . 110 K CB . 16812 1
8 . 1 1 2 2 SER H H 1 7.901 0.001 . 1 14 . . . 111 S HN . 16812 1
9 . 1 1 2 2 SER HA H 1 4.414 0.004 . 1 25 . . . 111 S HA . 16812 1
10 . 1 1 2 2 SER HB2 H 1 3.778 0.007 . 2 14 . . . 111 S HB2 . 16812 1
11 . 1 1 2 2 SER HB3 H 1 3.691 0.016 . 2 14 . . . 111 S HB3 . 16812 1
12 . 1 1 2 2 SER CA C 13 57.197 0.107 . 1 12 . . . 111 S CA . 16812 1
13 . 1 1 2 2 SER CB C 13 63.321 0.193 . 1 12 . . . 111 S CB . 16812 1
14 . 1 1 2 2 SER N N 15 116.493 0.093 . 1 11 . . . 111 S N . 16812 1
15 . 1 1 3 3 PHE H H 1 7.665 0.010 . 1 16 . . . 112 F HN . 16812 1
16 . 1 1 3 3 PHE HA H 1 4.447 0.012 . 1 6 . . . 112 F HA . 16812 1
17 . 1 1 3 3 PHE HB2 H 1 1.577 0.013 . 2 3 . . . 112 F HB2 . 16812 1
18 . 1 1 3 3 PHE HB3 H 1 1.134 0.040 . 2 3 . . . 112 F HB3 . 16812 1
19 . 1 1 3 3 PHE CA C 13 55.156 0.067 . 1 2 . . . 112 F CA . 16812 1
20 . 1 1 3 3 PHE CB C 13 39.642 0.162 . 1 3 . . . 112 F CB . 16812 1
21 . 1 1 3 3 PHE N N 15 122.829 0.025 . 1 13 . . . 112 F N . 16812 1
22 . 1 1 4 4 GLN H H 1 7.348 0.006 . 1 23 . . . 113 Q HN . 16812 1
23 . 1 1 4 4 GLN HA H 1 4.950 0.008 . 1 31 . . . 113 Q HA . 16812 1
24 . 1 1 4 4 GLN HB2 H 1 2.087 0.004 . 2 14 . . . 113 Q HB2 . 16812 1
25 . 1 1 4 4 GLN HB3 H 1 1.776 0.007 . 2 18 . . . 113 Q HB3 . 16812 1
26 . 1 1 4 4 GLN CA C 13 54.209 0.168 . 1 13 . . . 113 Q CA . 16812 1
27 . 1 1 4 4 GLN CB C 13 31.766 0.122 . 1 8 . . . 113 Q CB . 16812 1
28 . 1 1 4 4 GLN N N 15 117.693 0.050 . 1 19 . . . 113 Q N . 16812 1
29 . 1 1 5 5 CYS H H 1 9.082 0.004 . 1 29 . . . 114 C HN . 16812 1
30 . 1 1 5 5 CYS HA H 1 4.254 0.012 . 1 10 . . . 114 C HA . 16812 1
31 . 1 1 5 5 CYS HB2 H 1 3.551 0.012 . 2 8 . . . 114 C HB2 . 16812 1
32 . 1 1 5 5 CYS HB3 H 1 3.071 0.006 . 2 9 . . . 114 C HB3 . 16812 1
33 . 1 1 5 5 CYS CA C 13 61.103 0.082 . 1 6 . . . 114 C CA . 16812 1
34 . 1 1 5 5 CYS CB C 13 31.225 0.087 . 1 2 . . . 114 C CB . 16812 1
35 . 1 1 5 5 CYS N N 15 126.085 0.056 . 1 19 . . . 114 C N . 16812 1
36 . 1 1 6 6 SER H H 1 9.186 0.005 . 1 31 . . . 115 S HN . 16812 1
37 . 1 1 6 6 SER HA H 1 4.265 0.014 . 1 13 . . . 115 S HA . 16812 1
38 . 1 1 6 6 SER HB2 H 1 4.149 0.014 . 2 6 . . . 115 S QB . 16812 1
39 . 1 1 6 6 SER HB3 H 1 4.149 0.014 . 2 6 . . . 115 S QB . 16812 1
40 . 1 1 6 6 SER CA C 13 61.602 0.063 . 1 4 . . . 115 S CA . 16812 1
41 . 1 1 6 6 SER CB C 13 64.272 0.011 . 1 3 . . . 115 S CB . 16812 1
42 . 1 1 6 6 SER N N 15 127.403 0.063 . 1 20 . . . 115 S N . 16812 1
43 . 1 1 7 7 ASN H H 1 9.356 0.005 . 1 43 . . . 116 N HN . 16812 1
44 . 1 1 7 7 ASN HA H 1 5.150 0.006 . 1 35 . . . 116 N HA . 16812 1
45 . 1 1 7 7 ASN HB2 H 1 3.609 0.011 . 2 20 . . . 116 N HB2 . 16812 1
46 . 1 1 7 7 ASN HB3 H 1 2.949 0.019 . 2 20 . . . 116 N HB3 . 16812 1
47 . 1 1 7 7 ASN HD21 H 1 8.595 0.002 . 2 7 . . . 116 N HD21 . 16812 1
48 . 1 1 7 7 ASN HD22 H 1 6.922 0.005 . 2 14 . . . 116 N HD22 . 16812 1
49 . 1 1 7 7 ASN CA C 13 55.797 0.078 . 1 13 . . . 116 N CA . 16812 1
50 . 1 1 7 7 ASN CB C 13 40.126 0.184 . 1 13 . . . 116 N CB . 16812 1
51 . 1 1 7 7 ASN N N 15 122.845 0.029 . 1 17 . . . 116 N N . 16812 1
52 . 1 1 7 7 ASN ND2 N 15 116.110 0.031 . 1 11 . . . 116 N ND2 . 16812 1
53 . 1 1 8 8 CYS H H 1 8.605 0.005 . 1 27 . . . 117 C HN . 16812 1
54 . 1 1 8 8 CYS HA H 1 5.008 0.008 . 1 30 . . . 117 C HA . 16812 1
55 . 1 1 8 8 CYS HB2 H 1 3.383 0.008 . 2 16 . . . 117 C HB2 . 16812 1
56 . 1 1 8 8 CYS HB3 H 1 2.313 0.016 . 2 16 . . . 117 C HB3 . 16812 1
57 . 1 1 8 8 CYS CA C 13 59.630 0.101 . 1 13 . . . 117 C CA . 16812 1
58 . 1 1 8 8 CYS CB C 13 33.596 0.139 . 1 9 . . . 117 C CB . 16812 1
59 . 1 1 8 8 CYS N N 15 118.526 0.044 . 1 18 . . . 117 C N . 16812 1
60 . 1 1 9 9 SER H H 1 7.761 0.006 . 1 24 . . . 118 S HN . 16812 1
61 . 1 1 9 9 SER HA H 1 4.387 0.012 . 1 7 . . . 118 S HA . 16812 1
62 . 1 1 9 9 SER HB2 H 1 4.116 0.002 . 2 2 . . . 118 S HB2 . 16812 1
63 . 1 1 9 9 SER CA C 13 61.561 0.095 . 1 3 . . . 118 S CA . 16812 1
64 . 1 1 9 9 SER N N 15 113.756 0.065 . 1 18 . . . 118 S N . 16812 1
65 . 1 1 11 11 THR H H 1 8.556 0.007 . 1 12 . . . 120 T HN . 16812 1
66 . 1 1 11 11 THR HA H 1 5.283 0.011 . 1 41 . . . 120 T HA . 16812 1
67 . 1 1 11 11 THR HB H 1 4.936 0.007 . 1 30 . . . 120 T HB . 16812 1
68 . 1 1 11 11 THR HG21 H 1 1.358 0.008 . 2 24 . . . 120 T QG2 . 16812 1
69 . 1 1 11 11 THR HG22 H 1 1.358 0.008 . 2 24 . . . 120 T QG2 . 16812 1
70 . 1 1 11 11 THR HG23 H 1 1.358 0.008 . 2 24 . . . 120 T QG2 . 16812 1
71 . 1 1 11 11 THR CA C 13 61.302 0.098 . 1 14 . . . 120 T CA . 16812 1
72 . 1 1 11 11 THR CB C 13 69.416 0.097 . 1 14 . . . 120 T CB . 16812 1
73 . 1 1 11 11 THR CG2 C 13 21.545 0.054 . 1 11 . . . 120 T CG2 . 16812 1
74 . 1 1 11 11 THR N N 15 109.846 0.040 . 1 9 . . . 120 T N . 16812 1
75 . 1 1 12 12 GLU H H 1 7.430 0.004 . 1 23 . . . 121 E HN . 16812 1
76 . 1 1 12 12 GLU HA H 1 4.998 0.007 . 1 23 . . . 121 E HA . 16812 1
77 . 1 1 12 12 GLU HB2 H 1 2.115 0.011 . 2 8 . . . 121 E HB2 . 16812 1
78 . 1 1 12 12 GLU HB3 H 1 1.975 0.008 . 2 10 . . . 121 E HB3 . 16812 1
79 . 1 1 12 12 GLU HG2 H 1 2.290 0.006 . 2 12 . . . 121 E QG . 16812 1
80 . 1 1 12 12 GLU HG3 H 1 2.290 0.006 . 2 12 . . . 121 E QG . 16812 1
81 . 1 1 12 12 GLU CA C 13 55.129 0.056 . 1 10 . . . 121 E CA . 16812 1
82 . 1 1 12 12 GLU CB C 13 33.063 0.099 . 1 5 . . . 121 E CB . 16812 1
83 . 1 1 12 12 GLU CG C 13 35.457 0.081 . 1 4 . . . 121 E CG . 16812 1
84 . 1 1 12 12 GLU N N 15 119.871 0.050 . 1 15 . . . 121 E N . 16812 1
85 . 1 1 13 13 THR H H 1 7.900 0.003 . 1 21 . . . 122 T HN . 16812 1
86 . 1 1 13 13 THR HA H 1 4.534 0.012 . 1 14 . . . 122 T HA . 16812 1
87 . 1 1 13 13 THR HB H 1 3.864 0.009 . 1 19 . . . 122 T HB . 16812 1
88 . 1 1 13 13 THR HG21 H 1 -0.922 0.006 . 2 43 . . . 122 T QG2 . 16812 1
89 . 1 1 13 13 THR HG22 H 1 -0.922 0.006 . 2 43 . . . 122 T QG2 . 16812 1
90 . 1 1 13 13 THR HG23 H 1 -0.922 0.006 . 2 43 . . . 122 T QG2 . 16812 1
91 . 1 1 13 13 THR CA C 13 59.754 0.044 . 1 6 . . . 122 T CA . 16812 1
92 . 1 1 13 13 THR CB C 13 67.000 0.114 . 1 10 . . . 122 T CB . 16812 1
93 . 1 1 13 13 THR CG2 C 13 15.456 0.066 . 1 11 . . . 122 T CG2 . 16812 1
94 . 1 1 13 13 THR N N 15 116.081 0.015 . 1 12 . . . 122 T N . 16812 1
95 . 1 1 14 14 ILE H H 1 7.975 0.004 . 1 17 . . . 123 I HN . 16812 1
96 . 1 1 14 14 ILE HA H 1 4.210 0.008 . 1 21 . . . 123 I HA . 16812 1
97 . 1 1 14 14 ILE HB H 1 2.193 0.007 . 1 26 . . . 123 I HB . 16812 1
98 . 1 1 14 14 ILE HG12 H 1 1.081 0.001 . 2 3 . . . 123 I HG12 . 16812 1
99 . 1 1 14 14 ILE HG13 H 1 0.998 0.003 . 2 3 . . . 123 I HG13 . 16812 1
100 . 1 1 14 14 ILE HG21 H 1 1.082 0.006 . 1 11 . . . 123 I HG2 . 16812 1
101 . 1 1 14 14 ILE HG22 H 1 1.082 0.006 . 1 11 . . . 123 I HG2 . 16812 1
102 . 1 1 14 14 ILE HG23 H 1 1.082 0.006 . 1 11 . . . 123 I HG2 . 16812 1
103 . 1 1 14 14 ILE CA C 13 61.408 0.174 . 1 7 . . . 123 I CA . 16812 1
104 . 1 1 14 14 ILE CB C 13 37.624 0.081 . 1 15 . . . 123 I CB . 16812 1
105 . 1 1 14 14 ILE CG2 C 13 19.795 0.053 . 1 5 . . . 123 I CG2 . 16812 1
106 . 1 1 14 14 ILE N N 15 123.112 0.052 . 1 14 . . . 123 I N . 16812 1
107 . 1 1 15 15 ARG H H 1 6.984 0.005 . 1 23 . . . 124 R HN . 16812 1
108 . 1 1 15 15 ARG HA H 1 4.287 0.005 . 1 13 . . . 124 R HA . 16812 1
109 . 1 1 15 15 ARG HB2 H 1 1.853 0.004 . 2 6 . . . 124 R QB . 16812 1
110 . 1 1 15 15 ARG HB3 H 1 1.853 0.004 . 2 6 . . . 124 R QB . 16812 1
111 . 1 1 15 15 ARG CA C 13 56.488 0.109 . 1 7 . . . 124 R CA . 16812 1
112 . 1 1 15 15 ARG CB C 13 31.798 0.011 . 1 2 . . . 124 R CB . 16812 1
113 . 1 1 15 15 ARG N N 15 120.382 0.050 . 1 16 . . . 124 R N . 16812 1
114 . 1 1 16 16 TRP H H 1 8.785 0.012 . 1 22 . . . 125 W HN . 16812 1
115 . 1 1 16 16 TRP HA H 1 4.504 0.014 . 1 9 . . . 125 W HA . 16812 1
116 . 1 1 16 16 TRP HB2 H 1 3.060 0.015 . 2 6 . . . 125 W HB2 . 16812 1
117 . 1 1 16 16 TRP HB3 H 1 2.830 0.012 . 2 5 . . . 125 W HB3 . 16812 1
118 . 1 1 16 16 TRP HE1 H 1 10.214 0.007 . 1 22 . . . 125 W HE1 . 16812 1
119 . 1 1 16 16 TRP HE3 H 1 7.301 0.006 . 1 10 . . . 125 W HE3 . 16812 1
120 . 1 1 16 16 TRP HH2 H 1 7.122 0.007 . 1 9 . . . 125 W HH2 . 16812 1
121 . 1 1 16 16 TRP HZ2 H 1 7.148 0.004 . 1 10 . . . 125 W HZ2 . 16812 1
122 . 1 1 16 16 TRP HZ3 H 1 6.379 0.008 . 1 12 . . . 125 W HZ3 . 16812 1
123 . 1 1 16 16 TRP CA C 13 57.219 0.129 . 1 3 . . . 125 W CA . 16812 1
124 . 1 1 16 16 TRP CB C 13 30.031 0.000 . 1 1 . . . 125 W CB . 16812 1
125 . 1 1 16 16 TRP CE3 C 13 121.183 0.073 . 1 4 . . . 125 W CE3 . 16812 1
126 . 1 1 16 16 TRP CH2 C 13 124.180 0.021 . 1 4 . . . 125 W CH2 . 16812 1
127 . 1 1 16 16 TRP CZ2 C 13 114.380 0.028 . 1 6 . . . 125 W CZ2 . 16812 1
128 . 1 1 16 16 TRP CZ3 C 13 119.855 0.058 . 1 6 . . . 125 W CZ3 . 16812 1
129 . 1 1 16 16 TRP N N 15 128.975 0.058 . 1 15 . . . 125 W N . 16812 1
130 . 1 1 16 16 TRP NE1 N 15 128.318 0.003 . 1 5 . . . 125 W NE1 . 16812 1
131 . 1 1 17 17 ARG H H 1 8.951 0.004 . 1 25 . . . 126 R HN . 16812 1
132 . 1 1 17 17 ARG HA H 1 4.416 0.006 . 1 10 . . . 126 R HA . 16812 1
133 . 1 1 17 17 ARG HB2 H 1 2.611 0.005 . 2 5 . . . 126 R HB2 . 16812 1
134 . 1 1 17 17 ARG CA C 13 52.548 0.120 . 1 4 . . . 126 R CA . 16812 1
135 . 1 1 17 17 ARG N N 15 119.789 0.048 . 1 17 . . . 126 R N . 16812 1
136 . 1 1 18 18 ASN H H 1 8.757 0.004 . 1 21 . . . 127 N HN . 16812 1
137 . 1 1 18 18 ASN HA H 1 4.342 0.011 . 1 20 . . . 127 N HA . 16812 1
138 . 1 1 18 18 ASN HB2 H 1 3.243 0.005 . 2 15 . . . 127 N HB2 . 16812 1
139 . 1 1 18 18 ASN HB3 H 1 2.892 0.011 . 2 16 . . . 127 N HB3 . 16812 1
140 . 1 1 18 18 ASN CA C 13 53.232 0.152 . 1 9 . . . 127 N CA . 16812 1
141 . 1 1 18 18 ASN CB C 13 37.015 0.104 . 1 11 . . . 127 N CB . 16812 1
142 . 1 1 18 18 ASN N N 15 120.180 0.051 . 1 13 . . . 127 N N . 16812 1
143 . 1 1 19 19 ILE H H 1 8.279 0.004 . 1 22 . . . 128 I HN . 16812 1
144 . 1 1 19 19 ILE HA H 1 3.221 0.007 . 1 31 . . . 128 I HA . 16812 1
145 . 1 1 19 19 ILE HB H 1 1.617 0.012 . 1 32 . . . 128 I HB . 16812 1
146 . 1 1 19 19 ILE HG12 H 1 1.347 0.012 . 2 3 . . . 128 I HG1 . 16812 1
147 . 1 1 19 19 ILE HG13 H 1 1.347 0.012 . 2 3 . . . 128 I HG1 . 16812 1
148 . 1 1 19 19 ILE HG21 H 1 0.865 0.003 . 1 21 . . . 128 I HG2 . 16812 1
149 . 1 1 19 19 ILE HG22 H 1 0.865 0.003 . 1 21 . . . 128 I HG2 . 16812 1
150 . 1 1 19 19 ILE HG23 H 1 0.865 0.003 . 1 21 . . . 128 I HG2 . 16812 1
151 . 1 1 19 19 ILE CA C 13 65.592 0.150 . 1 15 . . . 128 I CA . 16812 1
152 . 1 1 19 19 ILE CB C 13 39.044 0.096 . 1 18 . . . 128 I CB . 16812 1
153 . 1 1 19 19 ILE CG2 C 13 17.149 0.045 . 1 10 . . . 128 I CG2 . 16812 1
154 . 1 1 19 19 ILE N N 15 119.935 0.056 . 1 15 . . . 128 I N . 16812 1
155 . 1 1 20 20 ARG H H 1 9.850 0.006 . 1 36 . . . 129 R HN . 16812 1
156 . 1 1 20 20 ARG HA H 1 4.161 0.007 . 1 8 . . . 129 R HA . 16812 1
157 . 1 1 20 20 ARG HB2 H 1 1.988 0.006 . 2 5 . . . 129 R HB2 . 16812 1
158 . 1 1 20 20 ARG HB3 H 1 1.697 0.010 . 2 5 . . . 129 R HB3 . 16812 1
159 . 1 1 20 20 ARG CA C 13 57.385 0.034 . 1 2 . . . 129 R CA . 16812 1
160 . 1 1 20 20 ARG CB C 13 29.814 0.000 . 1 1 . . . 129 R CB . 16812 1
161 . 1 1 20 20 ARG N N 15 118.377 0.107 . 1 15 . . . 129 R N . 16812 1
162 . 1 1 21 21 SER H H 1 7.364 0.002 . 1 22 . . . 130 S HN . 16812 1
163 . 1 1 21 21 SER HA H 1 4.331 0.010 . 1 9 . . . 130 S HA . 16812 1
164 . 1 1 21 21 SER HB2 H 1 3.883 0.009 . 2 9 . . . 130 S HB2 . 16812 1
165 . 1 1 21 21 SER CA C 13 58.441 0.156 . 1 4 . . . 130 S CA . 16812 1
166 . 1 1 21 21 SER CB C 13 63.736 0.113 . 1 5 . . . 130 S CB . 16812 1
167 . 1 1 21 21 SER N N 15 114.670 0.067 . 1 18 . . . 130 S N . 16812 1
168 . 1 1 22 22 LYS H H 1 8.551 0.004 . 1 19 . . . 131 K HN . 16812 1
169 . 1 1 22 22 LYS HA H 1 4.028 0.007 . 1 38 . . . 131 K HA . 16812 1
170 . 1 1 22 22 LYS HB2 H 1 2.047 0.007 . 2 20 . . . 131 K HB2 . 16812 1
171 . 1 1 22 22 LYS HB3 H 1 1.919 0.007 . 2 19 . . . 131 K HB3 . 16812 1
172 . 1 1 22 22 LYS HD2 H 1 1.725 0.010 . 2 25 . . . 131 K QD . 16812 1
173 . 1 1 22 22 LYS HD3 H 1 1.725 0.010 . 2 25 . . . 131 K QD . 16812 1
174 . 1 1 22 22 LYS HE2 H 1 3.025 0.010 . 2 18 . . . 131 K QE . 16812 1
175 . 1 1 22 22 LYS HE3 H 1 3.025 0.010 . 2 18 . . . 131 K QE . 16812 1
176 . 1 1 22 22 LYS HG2 H 1 1.523 0.005 . 2 7 . . . 131 K HG2 . 16812 1
177 . 1 1 22 22 LYS HG3 H 1 1.476 0.004 . 2 13 . . . 131 K HG3 . 16812 1
178 . 1 1 22 22 LYS CA C 13 59.593 0.076 . 1 21 . . . 131 K CA . 16812 1
179 . 1 1 22 22 LYS CB C 13 31.558 0.076 . 1 17 . . . 131 K CB . 16812 1
180 . 1 1 22 22 LYS CD C 13 29.017 0.068 . 1 14 . . . 131 K CD . 16812 1
181 . 1 1 22 22 LYS CE C 13 41.974 0.074 . 1 11 . . . 131 K CE . 16812 1
182 . 1 1 22 22 LYS CG C 13 25.043 0.110 . 1 5 . . . 131 K CG . 16812 1
183 . 1 1 22 22 LYS N N 15 124.493 0.055 . 1 17 . . . 131 K N . 16812 1
184 . 1 1 23 23 GLU H H 1 8.675 0.003 . 1 24 . . . 132 E HN . 16812 1
185 . 1 1 23 23 GLU HA H 1 4.360 0.007 . 1 19 . . . 132 E HA . 16812 1
186 . 1 1 23 23 GLU HB2 H 1 2.191 0.008 . 2 9 . . . 132 E HB2 . 16812 1
187 . 1 1 23 23 GLU HB3 H 1 1.960 0.006 . 2 10 . . . 132 E HB3 . 16812 1
188 . 1 1 23 23 GLU HG2 H 1 2.286 0.005 . 2 5 . . . 132 E QG . 16812 1
189 . 1 1 23 23 GLU HG3 H 1 2.286 0.005 . 2 5 . . . 132 E QG . 16812 1
190 . 1 1 23 23 GLU CA C 13 57.154 0.055 . 1 10 . . . 132 E CA . 16812 1
191 . 1 1 23 23 GLU CB C 13 29.786 0.048 . 1 6 . . . 132 E CB . 16812 1
192 . 1 1 23 23 GLU CG C 13 36.238 0.060 . 1 3 . . . 132 E CG . 16812 1
193 . 1 1 23 23 GLU N N 15 118.523 0.056 . 1 19 . . . 132 E N . 16812 1
194 . 1 1 24 24 GLY H H 1 7.540 0.004 . 1 18 . . . 133 G HN . 16812 1
195 . 1 1 24 24 GLY HA2 H 1 4.252 0.006 . 2 12 . . . 133 G HA2 . 16812 1
196 . 1 1 24 24 GLY HA3 H 1 3.869 0.013 . 2 12 . . . 133 G HA3 . 16812 1
197 . 1 1 24 24 GLY CA C 13 44.960 0.082 . 1 9 . . . 133 G CA . 16812 1
198 . 1 1 24 24 GLY N N 15 107.319 0.023 . 1 16 . . . 133 G N . 16812 1
199 . 1 1 25 25 ILE H H 1 7.627 0.003 . 1 22 . . . 134 I HN . 16812 1
200 . 1 1 25 25 ILE HA H 1 4.178 0.016 . 1 19 . . . 134 I HA . 16812 1
201 . 1 1 25 25 ILE HB H 1 1.728 0.007 . 1 35 . . . 134 I HB . 16812 1
202 . 1 1 25 25 ILE HD11 H 1 0.114 0.012 . 2 21 . . . 134 I QD1 . 16812 1
203 . 1 1 25 25 ILE HD12 H 1 0.114 0.012 . 2 21 . . . 134 I QD1 . 16812 1
204 . 1 1 25 25 ILE HD13 H 1 0.114 0.012 . 2 21 . . . 134 I QD1 . 16812 1
205 . 1 1 25 25 ILE HG12 H 1 1.441 0.008 . 2 15 . . . 134 I HG12 . 16812 1
206 . 1 1 25 25 ILE HG13 H 1 0.977 0.011 . 2 15 . . . 134 I HG13 . 16812 1
207 . 1 1 25 25 ILE HG21 H 1 0.763 0.007 . 1 34 . . . 134 I HG2 . 16812 1
208 . 1 1 25 25 ILE HG22 H 1 0.763 0.007 . 1 34 . . . 134 I HG2 . 16812 1
209 . 1 1 25 25 ILE HG23 H 1 0.763 0.007 . 1 34 . . . 134 I HG2 . 16812 1
210 . 1 1 25 25 ILE CA C 13 61.909 0.128 . 1 6 . . . 134 I CA . 16812 1
211 . 1 1 25 25 ILE CB C 13 38.205 0.124 . 1 20 . . . 134 I CB . 16812 1
212 . 1 1 25 25 ILE CD1 C 13 13.907 0.191 . 1 9 . . . 134 I CD1 . 16812 1
213 . 1 1 25 25 ILE CG1 C 13 29.074 0.075 . 1 13 . . . 134 I CG1 . 16812 1
214 . 1 1 25 25 ILE CG2 C 13 17.259 0.063 . 1 15 . . . 134 I CG2 . 16812 1
215 . 1 1 25 25 ILE N N 15 122.452 0.021 . 1 19 . . . 134 I N . 16812 1
216 . 1 1 26 26 GLN H H 1 8.970 0.004 . 1 32 . . . 135 Q HN . 16812 1
217 . 1 1 26 26 GLN HA H 1 6.138 0.011 . 1 25 . . . 135 Q HA . 16812 1
218 . 1 1 26 26 GLN HE21 H 1 7.236 0.011 . 2 2 . . . 135 Q HE21 . 16812 1
219 . 1 1 26 26 GLN HE22 H 1 7.119 0.007 . 2 3 . . . 135 Q HE22 . 16812 1
220 . 1 1 26 26 GLN CA C 13 54.099 0.086 . 1 6 . . . 135 Q CA . 16812 1
221 . 1 1 26 26 GLN CB C 13 36.039 0.000 . 1 1 . . . 135 Q CB . 16812 1
222 . 1 1 26 26 GLN N N 15 127.470 0.021 . 1 19 . . . 135 Q N . 16812 1
223 . 1 1 26 26 GLN NE2 N 15 111.908 0.013 . 1 2 . . . 135 Q NE2 . 16812 1
224 . 1 1 27 27 CYS H H 1 9.532 0.006 . 1 33 . . . 136 C HN . 16812 1
225 . 1 1 27 27 CYS HA H 1 4.458 0.010 . 1 8 . . . 136 C HA . 16812 1
226 . 1 1 27 27 CYS CB C 13 30.911 0.000 . 1 1 . . . 136 C CB . 16812 1
227 . 1 1 27 27 CYS N N 15 119.748 0.047 . 1 16 . . . 136 C N . 16812 1
228 . 1 1 28 28 ASN H H 1 7.471 0.005 . 1 20 . . . 137 N HN . 16812 1
229 . 1 1 28 28 ASN HA H 1 4.360 0.018 . 1 2 . . . 137 N HA . 16812 1
230 . 1 1 28 28 ASN CA C 13 59.408 0.152 . 1 2 . . . 137 N CA . 16812 1
231 . 1 1 28 28 ASN CB C 13 39.885 0.000 . 1 1 . . . 137 N CB . 16812 1
232 . 1 1 28 28 ASN N N 15 117.492 0.081 . 1 14 . . . 137 N N . 16812 1
233 . 1 1 29 29 ALA H H 1 8.493 0.005 . 1 21 . . . 138 A HN . 16812 1
234 . 1 1 29 29 ALA HA H 1 3.944 0.004 . 1 11 . . . 138 A HA . 16812 1
235 . 1 1 29 29 ALA HB1 H 1 1.372 0.009 . 2 16 . . . 138 A QB . 16812 1
236 . 1 1 29 29 ALA HB2 H 1 1.372 0.009 . 2 16 . . . 138 A QB . 16812 1
237 . 1 1 29 29 ALA HB3 H 1 1.372 0.009 . 2 16 . . . 138 A QB . 16812 1
238 . 1 1 29 29 ALA CA C 13 56.407 0.062 . 1 5 . . . 138 A CA . 16812 1
239 . 1 1 29 29 ALA CB C 13 17.834 0.042 . 1 7 . . . 138 A CB . 16812 1
240 . 1 1 29 29 ALA N N 15 120.641 0.092 . 1 12 . . . 138 A N . 16812 1
241 . 1 1 30 30 CYS H H 1 9.098 0.004 . 1 25 . . . 139 C HN . 16812 1
242 . 1 1 30 30 CYS HA H 1 3.962 0.010 . 1 14 . . . 139 C HA . 16812 1
243 . 1 1 30 30 CYS HB2 H 1 3.251 0.010 . 2 6 . . . 139 C HB2 . 16812 1
244 . 1 1 30 30 CYS HB3 H 1 3.050 0.001 . 2 2 . . . 139 C HB3 . 16812 1
245 . 1 1 30 30 CYS CA C 13 65.079 0.110 . 1 7 . . . 139 C CA . 16812 1
246 . 1 1 30 30 CYS CB C 13 28.541 0.000 . 1 1 . . . 139 C CB . 16812 1
247 . 1 1 30 30 CYS N N 15 121.832 0.061 . 1 15 . . . 139 C N . 16812 1
248 . 1 1 31 31 PHE H H 1 7.939 0.005 . 1 21 . . . 140 F HN . 16812 1
249 . 1 1 31 31 PHE HA H 1 4.293 0.007 . 1 6 . . . 140 F HA . 16812 1
250 . 1 1 31 31 PHE HB2 H 1 3.060 0.009 . 2 3 . . . 140 F QB . 16812 1
251 . 1 1 31 31 PHE HB3 H 1 3.060 0.009 . 2 3 . . . 140 F QB . 16812 1
252 . 1 1 31 31 PHE CA C 13 61.120 0.081 . 1 2 . . . 140 F CA . 16812 1
253 . 1 1 31 31 PHE CB C 13 40.323 0.000 . 1 1 . . . 140 F CB . 16812 1
254 . 1 1 31 31 PHE N N 15 122.269 0.093 . 1 15 . . . 140 F N . 16812 1
255 . 1 1 32 32 ILE H H 1 9.202 0.006 . 1 26 . . . 141 I HN . 16812 1
256 . 1 1 32 32 ILE HA H 1 3.533 0.006 . 1 30 . . . 141 I HA . 16812 1
257 . 1 1 32 32 ILE HB H 1 2.159 0.007 . 1 22 . . . 141 I HB . 16812 1
258 . 1 1 32 32 ILE HD11 H 1 0.784 0.005 . 2 17 . . . 141 I QD1 . 16812 1
259 . 1 1 32 32 ILE HD12 H 1 0.784 0.005 . 2 17 . . . 141 I QD1 . 16812 1
260 . 1 1 32 32 ILE HD13 H 1 0.784 0.005 . 2 17 . . . 141 I QD1 . 16812 1
261 . 1 1 32 32 ILE HG12 H 1 2.062 0.011 . 2 7 . . . 141 I HG12 . 16812 1
262 . 1 1 32 32 ILE HG13 H 1 1.564 0.009 . 2 9 . . . 141 I HG13 . 16812 1
263 . 1 1 32 32 ILE HG21 H 1 0.585 0.003 . 2 34 . . . 141 I QG2 . 16812 1
264 . 1 1 32 32 ILE HG22 H 1 0.585 0.003 . 2 34 . . . 141 I QG2 . 16812 1
265 . 1 1 32 32 ILE HG23 H 1 0.585 0.003 . 2 34 . . . 141 I QG2 . 16812 1
266 . 1 1 32 32 ILE CA C 13 59.898 0.077 . 1 15 . . . 141 I CA . 16812 1
267 . 1 1 32 32 ILE CB C 13 35.599 0.097 . 1 11 . . . 141 I CB . 16812 1
268 . 1 1 32 32 ILE CD1 C 13 9.115 0.028 . 1 6 . . . 141 I CD1 . 16812 1
269 . 1 1 32 32 ILE CG1 C 13 27.169 0.112 . 1 12 . . . 141 I CG1 . 16812 1
270 . 1 1 32 32 ILE CG2 C 13 17.356 0.117 . 1 13 . . . 141 I CG2 . 16812 1
271 . 1 1 32 32 ILE N N 15 121.050 0.052 . 1 19 . . . 141 I N . 16812 1
272 . 1 1 33 33 TYR H H 1 8.247 0.005 . 1 20 . . . 142 Y HN . 16812 1
273 . 1 1 33 33 TYR HA H 1 3.590 0.007 . 1 17 . . . 142 Y HA . 16812 1
274 . 1 1 33 33 TYR HB2 H 1 3.029 0.011 . 2 10 . . . 142 Y HB2 . 16812 1
275 . 1 1 33 33 TYR HB3 H 1 2.250 0.000 . 2 2 . . . 142 Y HB3 . 16812 1
276 . 1 1 33 33 TYR CA C 13 63.104 0.081 . 1 10 . . . 142 Y CA . 16812 1
277 . 1 1 33 33 TYR CB C 13 39.724 0.000 . 1 1 . . . 142 Y CB . 16812 1
278 . 1 1 33 33 TYR N N 15 122.316 0.059 . 1 14 . . . 142 Y N . 16812 1
279 . 1 1 34 34 GLN H H 1 7.496 0.004 . 1 21 . . . 143 Q HN . 16812 1
280 . 1 1 34 34 GLN HA H 1 4.463 0.008 . 1 12 . . . 143 Q HA . 16812 1
281 . 1 1 34 34 GLN HB2 H 1 2.274 0.002 . 2 3 . . . 143 Q HB2 . 16812 1
282 . 1 1 34 34 GLN HB3 H 1 2.129 0.005 . 2 3 . . . 143 Q HB3 . 16812 1
283 . 1 1 34 34 GLN CA C 13 58.756 0.105 . 1 6 . . . 143 Q CA . 16812 1
284 . 1 1 34 34 GLN CB C 13 27.813 0.000 . 1 1 . . . 143 Q CB . 16812 1
285 . 1 1 34 34 GLN N N 15 118.554 0.030 . 1 17 . . . 143 Q N . 16812 1
286 . 1 1 35 35 ARG H H 1 7.578 0.002 . 1 16 . . . 144 R HN . 16812 1
287 . 1 1 35 35 ARG HA H 1 3.742 0.005 . 1 15 . . . 144 R HA . 16812 1
288 . 1 1 35 35 ARG HB2 H 1 1.584 0.008 . 2 7 . . . 144 R HB2 . 16812 1
289 . 1 1 35 35 ARG HB3 H 1 1.219 0.014 . 2 6 . . . 144 R HB3 . 16812 1
290 . 1 1 35 35 ARG CA C 13 58.779 0.073 . 1 11 . . . 144 R CA . 16812 1
291 . 1 1 35 35 ARG CB C 13 30.101 0.000 . 1 1 . . . 144 R CB . 16812 1
292 . 1 1 35 35 ARG N N 15 119.391 0.048 . 1 16 . . . 144 R N . 16812 1
293 . 1 1 36 36 LYS H H 1 7.515 0.003 . 1 17 . . . 145 K HN . 16812 1
294 . 1 1 36 36 LYS HA H 1 3.732 0.003 . 1 9 . . . 145 K HA . 16812 1
295 . 1 1 36 36 LYS HB2 H 1 1.229 0.002 . 2 4 . . . 145 K HB2 . 16812 1
296 . 1 1 36 36 LYS CA C 13 59.225 0.091 . 1 3 . . . 145 K CA . 16812 1
297 . 1 1 36 36 LYS CB C 13 32.828 0.000 . 1 1 . . . 145 K CB . 16812 1
298 . 1 1 36 36 LYS N N 15 118.401 0.082 . 1 14 . . . 145 K N . 16812 1
299 . 1 1 37 37 TYR H H 1 8.167 0.004 . 1 30 . . . 146 Y HN . 16812 1
300 . 1 1 37 37 TYR HA H 1 4.409 0.006 . 1 9 . . . 146 Y HA . 16812 1
301 . 1 1 37 37 TYR HB2 H 1 2.973 0.006 . 2 6 . . . 146 Y HB2 . 16812 1
302 . 1 1 37 37 TYR HB3 H 1 2.249 0.014 . 2 6 . . . 146 Y HB3 . 16812 1
303 . 1 1 37 37 TYR HD1 H 1 6.297 0.010 . 3 16 . . . 146 Y QD . 16812 1
304 . 1 1 37 37 TYR HD2 H 1 6.297 0.010 . 3 16 . . . 146 Y QD . 16812 1
305 . 1 1 37 37 TYR HE1 H 1 6.348 0.004 . 3 2 . . . 146 Y QE . 16812 1
306 . 1 1 37 37 TYR HE2 H 1 6.348 0.004 . 3 2 . . . 146 Y QE . 16812 1
307 . 1 1 37 37 TYR CA C 13 59.357 0.089 . 1 3 . . . 146 Y CA . 16812 1
308 . 1 1 37 37 TYR CB C 13 39.918 0.000 . 1 1 . . . 146 Y CB . 16812 1
309 . 1 1 37 37 TYR CD1 C 13 132.929 0.026 . 3 10 . . . 146 Y CD1 . 16812 1
310 . 1 1 37 37 TYR CE1 C 13 116.660 0.000 . 3 1 . . . 146 Y CE1 . 16812 1
311 . 1 1 37 37 TYR N N 15 112.768 0.034 . 1 19 . . . 146 Y N . 16812 1
312 . 1 1 38 38 ASN H H 1 8.603 0.007 . 1 21 . . . 147 N HN . 16812 1
313 . 1 1 38 38 ASN HA H 1 4.512 0.006 . 1 17 . . . 147 N HA . 16812 1
314 . 1 1 38 38 ASN HB2 H 1 3.134 0.005 . 2 19 . . . 147 N HB2 . 16812 1
315 . 1 1 38 38 ASN HB3 H 1 2.713 0.004 . 2 20 . . . 147 N HB3 . 16812 1
316 . 1 1 38 38 ASN CA C 13 54.308 0.140 . 1 6 . . . 147 N CA . 16812 1
317 . 1 1 38 38 ASN CB C 13 37.068 0.117 . 1 20 . . . 147 N CB . 16812 1
318 . 1 1 38 38 ASN N N 15 118.578 0.043 . 1 15 . . . 147 N N . 16812 1
319 . 1 1 39 39 LYS H H 1 7.202 0.002 . 1 27 . . . 148 K HN . 16812 1
320 . 1 1 39 39 LYS HA H 1 4.618 0.005 . 1 21 . . . 148 K HA . 16812 1
321 . 1 1 39 39 LYS HB2 H 1 1.947 0.009 . 2 16 . . . 148 K HB2 . 16812 1
322 . 1 1 39 39 LYS HB3 H 1 1.754 0.006 . 2 15 . . . 148 K HB3 . 16812 1
323 . 1 1 39 39 LYS HG2 H 1 1.391 0.005 . 2 7 . . . 148 K QG . 16812 1
324 . 1 1 39 39 LYS HG3 H 1 1.391 0.005 . 2 7 . . . 148 K QG . 16812 1
325 . 1 1 39 39 LYS CA C 13 54.302 0.053 . 1 7 . . . 148 K CA . 16812 1
326 . 1 1 39 39 LYS CB C 13 35.675 0.036 . 1 16 . . . 148 K CB . 16812 1
327 . 1 1 39 39 LYS CG C 13 23.781 0.000 . 1 1 . . . 148 K CG . 16812 1
328 . 1 1 39 39 LYS N N 15 113.041 0.045 . 1 21 . . . 148 K N . 16812 1
329 . 1 1 40 40 THR H H 1 8.028 0.005 . 1 23 . . . 149 T HN . 16812 1
330 . 1 1 40 40 THR HA H 1 4.049 0.004 . 1 16 . . . 149 T HA . 16812 1
331 . 1 1 40 40 THR HB H 1 3.843 0.007 . 1 23 . . . 149 T HB . 16812 1
332 . 1 1 40 40 THR HG21 H 1 1.200 0.005 . 2 12 . . . 149 T QG2 . 16812 1
333 . 1 1 40 40 THR HG22 H 1 1.200 0.005 . 2 12 . . . 149 T QG2 . 16812 1
334 . 1 1 40 40 THR HG23 H 1 1.200 0.005 . 2 12 . . . 149 T QG2 . 16812 1
335 . 1 1 40 40 THR CA C 13 62.594 0.095 . 1 7 . . . 149 T CA . 16812 1
336 . 1 1 40 40 THR CB C 13 69.582 0.057 . 1 12 . . . 149 T CB . 16812 1
337 . 1 1 40 40 THR CG2 C 13 22.441 0.007 . 1 3 . . . 149 T CG2 . 16812 1
338 . 1 1 40 40 THR N N 15 114.214 0.073 . 1 18 . . . 149 T N . 16812 1
339 . 1 1 41 41 ARG H H 1 8.971 0.002 . 1 17 . . . 150 R HN . 16812 1
340 . 1 1 41 41 ARG N N 15 129.158 0.052 . 1 11 . . . 150 R N . 16812 1
341 . 1 1 42 42 PRO HA H 1 4.517 0.006 . 1 14 . . . 151 P HA . 16812 1
342 . 1 1 42 42 PRO HB2 H 1 2.307 0.010 . 2 5 . . . 151 P HB2 . 16812 1
343 . 1 1 42 42 PRO HB3 H 1 2.161 0.007 . 2 4 . . . 151 P HB3 . 16812 1
344 . 1 1 42 42 PRO CA C 13 62.214 0.134 . 1 8 . . . 151 P CA . 16812 1
345 . 1 1 42 42 PRO CB C 13 32.821 0.000 . 1 1 . . . 151 P CB . 16812 1
346 . 1 1 43 43 VAL H H 1 8.662 0.004 . 1 25 . . . 152 V HN . 16812 1
347 . 1 1 43 43 VAL HA H 1 3.639 0.008 . 1 35 . . . 152 V HA . 16812 1
348 . 1 1 43 43 VAL HB H 1 2.126 0.006 . 1 15 . . . 152 V HB . 16812 1
349 . 1 1 43 43 VAL HG11 H 1 1.072 0.012 . 2 13 . . . 152 V QG1 . 16812 1
350 . 1 1 43 43 VAL HG12 H 1 1.072 0.012 . 2 13 . . . 152 V QG1 . 16812 1
351 . 1 1 43 43 VAL HG13 H 1 1.072 0.012 . 2 13 . . . 152 V QG1 . 16812 1
352 . 1 1 43 43 VAL HG21 H 1 0.996 0.009 . 2 10 . . . 152 V QG2 . 16812 1
353 . 1 1 43 43 VAL HG22 H 1 0.996 0.009 . 2 10 . . . 152 V QG2 . 16812 1
354 . 1 1 43 43 VAL HG23 H 1 0.996 0.009 . 2 10 . . . 152 V QG2 . 16812 1
355 . 1 1 43 43 VAL CA C 13 65.386 0.104 . 1 14 . . . 152 V CA . 16812 1
356 . 1 1 43 43 VAL CB C 13 31.634 0.042 . 1 4 . . . 152 V CB . 16812 1
357 . 1 1 43 43 VAL CG1 C 13 21.643 0.113 . 2 5 . . . 152 V CG1 . 16812 1
358 . 1 1 43 43 VAL CG2 C 13 20.535 0.076 . 2 3 . . . 152 V CG2 . 16812 1
359 . 1 1 43 43 VAL N N 15 121.389 0.041 . 1 17 . . . 152 V N . 16812 1
360 . 1 1 44 44 THR H H 1 7.520 0.002 . 1 20 . . . 153 T HN . 16812 1
361 . 1 1 44 44 THR HA H 1 4.068 0.005 . 1 23 . . . 153 T HA . 16812 1
362 . 1 1 44 44 THR HB H 1 4.222 0.008 . 1 21 . . . 153 T HB . 16812 1
363 . 1 1 44 44 THR HG21 H 1 1.336 0.010 . 2 13 . . . 153 T QG2 . 16812 1
364 . 1 1 44 44 THR HG22 H 1 1.336 0.010 . 2 13 . . . 153 T QG2 . 16812 1
365 . 1 1 44 44 THR HG23 H 1 1.336 0.010 . 2 13 . . . 153 T QG2 . 16812 1
366 . 1 1 44 44 THR CA C 13 64.041 0.148 . 1 9 . . . 153 T CA . 16812 1
367 . 1 1 44 44 THR CB C 13 67.593 0.140 . 1 13 . . . 153 T CB . 16812 1
368 . 1 1 44 44 THR CG2 C 13 22.538 0.023 . 1 3 . . . 153 T CG2 . 16812 1
369 . 1 1 44 44 THR N N 15 109.285 0.050 . 1 16 . . . 153 T N . 16812 1
370 . 1 1 45 45 ALA H H 1 6.948 0.006 . 1 27 . . . 154 A HN . 16812 1
371 . 1 1 45 45 ALA HA H 1 4.258 0.005 . 1 12 . . . 154 A HA . 16812 1
372 . 1 1 45 45 ALA HB1 H 1 1.456 0.008 . 2 11 . . . 154 A QB . 16812 1
373 . 1 1 45 45 ALA HB2 H 1 1.456 0.008 . 2 11 . . . 154 A QB . 16812 1
374 . 1 1 45 45 ALA HB3 H 1 1.456 0.008 . 2 11 . . . 154 A QB . 16812 1
375 . 1 1 45 45 ALA CA C 13 54.934 0.054 . 1 2 . . . 154 A CA . 16812 1
376 . 1 1 45 45 ALA CB C 13 17.369 0.095 . 1 7 . . . 154 A CB . 16812 1
377 . 1 1 45 45 ALA N N 15 124.951 0.027 . 1 22 . . . 154 A N . 16812 1
378 . 1 1 46 46 VAL H H 1 7.640 0.004 . 1 23 . . . 155 V HN . 16812 1
379 . 1 1 46 46 VAL HA H 1 3.379 0.006 . 1 35 . . . 155 V HA . 16812 1
380 . 1 1 46 46 VAL HB H 1 2.233 0.013 . 1 20 . . . 155 V HB . 16812 1
381 . 1 1 46 46 VAL HG11 H 1 1.043 0.007 . 2 21 . . . 155 V QG1 . 16812 1
382 . 1 1 46 46 VAL HG12 H 1 1.043 0.007 . 2 21 . . . 155 V QG1 . 16812 1
383 . 1 1 46 46 VAL HG13 H 1 1.043 0.007 . 2 21 . . . 155 V QG1 . 16812 1
384 . 1 1 46 46 VAL HG21 H 1 0.809 0.005 . 2 26 . . . 155 V QG2 . 16812 1
385 . 1 1 46 46 VAL HG22 H 1 0.809 0.005 . 2 26 . . . 155 V QG2 . 16812 1
386 . 1 1 46 46 VAL HG23 H 1 0.809 0.005 . 2 26 . . . 155 V QG2 . 16812 1
387 . 1 1 46 46 VAL CA C 13 66.933 0.100 . 1 16 . . . 155 V CA . 16812 1
388 . 1 1 46 46 VAL CB C 13 31.557 0.096 . 1 7 . . . 155 V CB . 16812 1
389 . 1 1 46 46 VAL CG1 C 13 21.328 0.053 . 2 4 . . . 155 V CG1 . 16812 1
390 . 1 1 46 46 VAL CG2 C 13 21.235 0.039 . 2 11 . . . 155 V CG2 . 16812 1
391 . 1 1 46 46 VAL N N 15 121.567 0.035 . 1 17 . . . 155 V N . 16812 1
392 . 1 1 47 47 ASN H H 1 8.755 0.005 . 1 29 . . . 156 N HN . 16812 1
393 . 1 1 47 47 ASN HA H 1 4.564 0.009 . 1 14 . . . 156 N HA . 16812 1
394 . 1 1 47 47 ASN HB2 H 1 2.880 0.001 . 2 2 . . . 156 N HB2 . 16812 1
395 . 1 1 47 47 ASN HB3 H 1 2.828 0.001 . 2 5 . . . 156 N HB3 . 16812 1
396 . 1 1 47 47 ASN CA C 13 56.058 0.177 . 1 6 . . . 156 N CA . 16812 1
397 . 1 1 47 47 ASN CB C 13 37.773 0.038 . 1 5 . . . 156 N CB . 16812 1
398 . 1 1 47 47 ASN N N 15 118.550 0.045 . 1 18 . . . 156 N N . 16812 1
399 . 1 1 48 48 LYS H H 1 7.822 0.003 . 1 18 . . . 157 K HN . 16812 1
400 . 1 1 48 48 LYS HA H 1 4.036 0.012 . 1 6 . . . 157 K HA . 16812 1
401 . 1 1 48 48 LYS HB2 H 1 1.867 0.008 . 2 4 . . . 157 K QB . 16812 1
402 . 1 1 48 48 LYS HB3 H 1 1.867 0.008 . 2 4 . . . 157 K QB . 16812 1
403 . 1 1 48 48 LYS CA C 13 60.049 0.038 . 1 3 . . . 157 K CA . 16812 1
404 . 1 1 48 48 LYS N N 15 120.410 0.042 . 1 13 . . . 157 K N . 16812 1
405 . 1 1 49 49 TYR H H 1 8.116 0.004 . 1 15 . . . 158 Y HN . 16812 1
406 . 1 1 49 49 TYR HA H 1 4.062 0.004 . 1 3 . . . 158 Y HA . 16812 1
407 . 1 1 49 49 TYR CA C 13 61.359 0.000 . 1 1 . . . 158 Y CA . 16812 1
408 . 1 1 49 49 TYR CB C 13 38.472 0.000 . 1 1 . . . 158 Y CB . 16812 1
409 . 1 1 49 49 TYR N N 15 121.547 0.062 . 1 12 . . . 158 Y N . 16812 1
410 . 1 1 50 50 GLN H H 1 8.368 0.005 . 1 13 . . . 159 Q HN . 16812 1
411 . 1 1 50 50 GLN HA H 1 4.100 0.009 . 1 5 . . . 159 Q HA . 16812 1
412 . 1 1 50 50 GLN HB2 H 1 2.326 0.000 . 2 1 . . . 159 Q HB2 . 16812 1
413 . 1 1 50 50 GLN HB3 H 1 2.237 0.006 . 2 2 . . . 159 Q HB3 . 16812 1
414 . 1 1 50 50 GLN CA C 13 58.309 0.048 . 1 2 . . . 159 Q CA . 16812 1
415 . 1 1 50 50 GLN CB C 13 28.486 0.038 . 1 4 . . . 159 Q CB . 16812 1
416 . 1 1 50 50 GLN N N 15 118.177 0.056 . 1 9 . . . 159 Q N . 16812 1
417 . 1 1 51 51 LYS H H 1 7.799 0.014 . 1 14 . . . 160 K HN . 16812 1
418 . 1 1 51 51 LYS HA H 1 4.054 0.006 . 1 6 . . . 160 K HA . 16812 1
419 . 1 1 51 51 LYS HB2 H 1 2.282 0.000 . 2 1 . . . 160 K HB2 . 16812 1
420 . 1 1 51 51 LYS HB3 H 1 1.941 0.003 . 2 5 . . . 160 K HB3 . 16812 1
421 . 1 1 51 51 LYS CA C 13 59.058 0.117 . 1 2 . . . 160 K CA . 16812 1
422 . 1 1 51 51 LYS N N 15 118.481 0.081 . 1 11 . . . 160 K N . 16812 1
423 . 1 1 52 52 ARG H H 1 7.697 0.010 . 1 8 . . . 161 R HN . 16812 1
424 . 1 1 52 52 ARG HA H 1 4.139 0.014 . 1 5 . . . 161 R HA . 16812 1
425 . 1 1 52 52 ARG HB2 H 1 1.859 0.009 . 2 2 . . . 161 R QB . 16812 1
426 . 1 1 52 52 ARG HB3 H 1 1.859 0.009 . 2 2 . . . 161 R QB . 16812 1
427 . 1 1 52 52 ARG CA C 13 59.029 0.209 . 1 2 . . . 161 R CA . 16812 1
428 . 1 1 52 52 ARG CB C 13 30.152 0.000 . 1 1 . . . 161 R CB . 16812 1
429 . 1 1 52 52 ARG N N 15 118.308 0.172 . 1 7 . . . 161 R N . 16812 1
430 . 1 1 53 53 LYS H H 1 7.677 0.011 . 1 10 . . . 162 K HN . 16812 1
431 . 1 1 53 53 LYS HA H 1 4.106 0.006 . 1 6 . . . 162 K HA . 16812 1
432 . 1 1 53 53 LYS HB2 H 1 1.807 0.015 . 2 5 . . . 162 K QB . 16812 1
433 . 1 1 53 53 LYS HB3 H 1 1.807 0.015 . 2 5 . . . 162 K QB . 16812 1
434 . 1 1 53 53 LYS CA C 13 57.173 0.131 . 1 2 . . . 162 K CA . 16812 1
435 . 1 1 53 53 LYS CB C 13 31.902 0.074 . 1 3 . . . 162 K CB . 16812 1
436 . 1 1 53 53 LYS N N 15 118.852 0.081 . 1 10 . . . 162 K N . 16812 1
437 . 1 1 54 54 LEU H H 1 7.734 0.018 . 1 5 . . . 163 L HN . 16812 1
438 . 1 1 54 54 LEU HA H 1 4.278 0.005 . 1 8 . . . 163 L HA . 16812 1
439 . 1 1 54 54 LEU HB2 H 1 1.759 0.008 . 2 12 . . . 163 L HB2 . 16812 1
440 . 1 1 54 54 LEU HB3 H 1 1.630 0.005 . 2 11 . . . 163 L HB3 . 16812 1
441 . 1 1 54 54 LEU HD11 H 1 0.940 0.002 . 2 3 . . . 163 L QD1 . 16812 1
442 . 1 1 54 54 LEU HD12 H 1 0.940 0.002 . 2 3 . . . 163 L QD1 . 16812 1
443 . 1 1 54 54 LEU HD13 H 1 0.940 0.002 . 2 3 . . . 163 L QD1 . 16812 1
444 . 1 1 54 54 LEU HD21 H 1 0.883 0.001 . 2 2 . . . 163 L QD2 . 16812 1
445 . 1 1 54 54 LEU HD22 H 1 0.883 0.001 . 2 2 . . . 163 L QD2 . 16812 1
446 . 1 1 54 54 LEU HD23 H 1 0.883 0.001 . 2 2 . . . 163 L QD2 . 16812 1
447 . 1 1 54 54 LEU CA C 13 56.044 0.022 . 1 2 . . . 163 L CA . 16812 1
448 . 1 1 54 54 LEU CB C 13 42.058 0.076 . 1 18 . . . 163 L CB . 16812 1
449 . 1 1 54 54 LEU N N 15 120.229 0.053 . 1 5 . . . 163 L N . 16812 1
450 . 1 1 55 55 LYS H H 1 7.806 0.003 . 1 11 . . . 164 K HN . 16812 1
451 . 1 1 55 55 LYS HA H 1 4.262 0.012 . 1 8 . . . 164 K HA . 16812 1
452 . 1 1 55 55 LYS HB2 H 1 1.868 0.008 . 2 4 . . . 164 K QB . 16812 1
453 . 1 1 55 55 LYS HB3 H 1 1.868 0.008 . 2 4 . . . 164 K QB . 16812 1
454 . 1 1 55 55 LYS CA C 13 57.218 0.150 . 1 2 . . . 164 K CA . 16812 1
455 . 1 1 55 55 LYS CB C 13 32.492 0.046 . 1 2 . . . 164 K CB . 16812 1
456 . 1 1 55 55 LYS N N 15 120.968 0.073 . 1 10 . . . 164 K N . 16812 1
457 . 1 1 56 56 VAL H H 1 7.879 0.010 . 1 10 . . . 165 V HN . 16812 1
458 . 1 1 56 56 VAL HA H 1 4.097 0.007 . 1 4 . . . 165 V HA . 16812 1
459 . 1 1 56 56 VAL HB H 1 1.738 0.000 . 1 1 . . . 165 V HB . 16812 1
460 . 1 1 56 56 VAL CA C 13 62.817 0.243 . 1 2 . . . 165 V CA . 16812 1
461 . 1 1 56 56 VAL CB C 13 32.403 0.000 . 1 1 . . . 165 V CB . 16812 1
462 . 1 1 56 56 VAL N N 15 119.961 0.071 . 1 9 . . . 165 V N . 16812 1
463 . 1 1 57 57 GLN H H 1 8.206 0.007 . 1 6 . . . 166 Q HN . 16812 1
464 . 1 1 57 57 GLN HA H 1 4.343 0.023 . 1 3 . . . 166 Q HA . 16812 1
465 . 1 1 57 57 GLN CA C 13 56.431 0.161 . 1 2 . . . 166 Q CA . 16812 1
466 . 1 1 57 57 GLN CB C 13 29.392 0.000 . 1 1 . . . 166 Q CB . 16812 1
467 . 1 1 57 57 GLN N N 15 122.736 0.218 . 1 6 . . . 166 Q N . 16812 1
468 . 1 1 58 58 GLU H H 1 8.392 0.007 . 1 4 . . . 167 E HN . 16812 1
469 . 1 1 58 58 GLU CA C 13 56.861 0.000 . 1 1 . . . 167 E CA . 16812 1
470 . 1 1 58 58 GLU CB C 13 30.282 0.000 . 1 1 . . . 167 E CB . 16812 1
471 . 1 1 58 58 GLU N N 15 122.311 0.140 . 1 4 . . . 167 E N . 16812 1
472 . 1 1 59 59 THR H H 1 8.198 0.005 . 1 3 . . . 168 T HN . 16812 1
473 . 1 1 59 59 THR HA H 1 4.389 0.004 . 1 2 . . . 168 T HA . 16812 1
474 . 1 1 59 59 THR HB H 1 4.286 0.000 . 1 1 . . . 168 T HB . 16812 1
475 . 1 1 59 59 THR CA C 13 61.959 0.033 . 1 2 . . . 168 T CA . 16812 1
476 . 1 1 59 59 THR CB C 13 69.716 0.000 . 1 1 . . . 168 T CB . 16812 1
477 . 1 1 59 59 THR N N 15 114.837 0.040 . 1 3 . . . 168 T N . 16812 1
478 . 1 1 60 60 ASN H H 1 8.476 0.004 . 1 5 . . . 169 N HN . 16812 1
479 . 1 1 60 60 ASN CA C 13 53.471 0.000 . 1 1 . . . 169 N CA . 16812 1
480 . 1 1 60 60 ASN CB C 13 38.965 0.000 . 1 1 . . . 169 N CB . 16812 1
481 . 1 1 60 60 ASN N N 15 121.388 0.111 . 1 5 . . . 169 N N . 16812 1
482 . 1 1 61 61 GLY H H 1 8.387 0.004 . 1 7 . . . 170 G HN . 16812 1
483 . 1 1 61 61 GLY HA2 H 1 3.994 0.014 . 2 3 . . . 170 G QA . 16812 1
484 . 1 1 61 61 GLY HA3 H 1 3.994 0.014 . 2 3 . . . 170 G QA . 16812 1
485 . 1 1 61 61 GLY CA C 13 45.489 0.000 . 1 1 . . . 170 G CA . 16812 1
486 . 1 1 61 61 GLY N N 15 109.698 0.069 . 1 6 . . . 170 G N . 16812 1
487 . 1 1 62 62 VAL H H 1 7.991 0.005 . 1 4 . . . 171 V HN . 16812 1
488 . 1 1 62 62 VAL HA H 1 4.181 0.018 . 1 6 . . . 171 V HA . 16812 1
489 . 1 1 62 62 VAL HB H 1 2.133 0.000 . 1 2 . . . 171 V HB . 16812 1
490 . 1 1 62 62 VAL CA C 13 62.105 0.079 . 1 5 . . . 171 V CA . 16812 1
491 . 1 1 62 62 VAL CB C 13 32.790 0.000 . 1 1 . . . 171 V CB . 16812 1
492 . 1 1 62 62 VAL N N 15 119.018 0.082 . 1 4 . . . 171 V N . 16812 1
493 . 1 1 63 63 ASP H H 1 8.415 0.017 . 1 6 . . . 172 D HN . 16812 1
494 . 1 1 63 63 ASP HA H 1 4.614 0.008 . 1 3 . . . 172 D HA . 16812 1
495 . 1 1 63 63 ASP HB2 H 1 2.585 0.005 . 2 2 . . . 172 D QB . 16812 1
496 . 1 1 63 63 ASP HB3 H 1 2.585 0.005 . 2 2 . . . 172 D QB . 16812 1
497 . 1 1 63 63 ASP CA C 13 54.347 0.003 . 1 2 . . . 172 D CA . 16812 1
498 . 1 1 63 63 ASP CB C 13 41.249 0.038 . 1 2 . . . 172 D CB . 16812 1
499 . 1 1 63 63 ASP N N 15 123.613 0.073 . 1 5 . . . 172 D N . 16812 1
500 . 1 1 64 64 SER H H 1 8.027 0.008 . 1 8 . . . 173 S HN . 16812 1
501 . 1 1 64 64 SER HA H 1 4.387 0.006 . 1 3 . . . 173 S HA . 16812 1
502 . 1 1 64 64 SER HB2 H 1 3.756 0.009 . 2 2 . . . 173 S QB . 16812 1
503 . 1 1 64 64 SER HB3 H 1 3.756 0.009 . 2 2 . . . 173 S QB . 16812 1
504 . 1 1 64 64 SER CA C 13 58.002 0.054 . 1 2 . . . 173 S CA . 16812 1
505 . 1 1 64 64 SER CB C 13 63.934 0.062 . 1 2 . . . 173 S CB . 16812 1
506 . 1 1 64 64 SER N N 15 116.025 0.037 . 1 7 . . . 173 S N . 16812 1
507 . 1 1 65 65 PHE H H 1 7.766 0.006 . 1 8 . . . 174 F HN . 16812 1
508 . 1 1 65 65 PHE HA H 1 4.463 0.000 . 1 1 . . . 174 F HA . 16812 1
509 . 1 1 65 65 PHE N N 15 126.969 0.040 . 1 7 . . . 174 F N . 16812 1
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