Content for NMR-STAR saveframe, "assigned_chem_shift_list_2"
save_assigned_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 26691
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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 '2D 1H-15N HSQC' . . . 26691 2
3 '2D 1H-13C HSQC aliphatic' . . . 26691 2
4 '3D CBCA(CO)NH' . . . 26691 2
5 '3D HNCO' . . . 26691 2
6 '3D HNHA' . . . 26691 2
7 '3D HNCACB' . . . 26691 2
8 '3D HCCH-TOCSY' . . . 26691 2
12 '2D 1H-13C HSQC aromatic' . . . 26691 2
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 2 2 PRO HA H 1 4.295 0.001 . 1 . . . . -1 P HA . 26691 2
2 . 1 1 2 2 PRO HB2 H 1 2.106 0.001 . 1 . . . . -1 P HB2 . 26691 2
3 . 1 1 2 2 PRO HB3 H 1 1.682 0.001 . 1 . . . . -1 P HB3 . 26691 2
4 . 1 1 2 2 PRO HG2 H 1 1.827 0.014 . 1 . . . . -1 P HG2 . 26691 2
5 . 1 1 2 2 PRO HG3 H 1 1.769 0.002 . 1 . . . . -1 P HG3 . 26691 2
6 . 1 1 2 2 PRO HD2 H 1 3.403 0.000 . 2 . . . . -1 P HD . 26691 2
7 . 1 1 2 2 PRO HD3 H 1 3.403 0.000 . 2 . . . . -1 P HD . 26691 2
8 . 1 1 2 2 PRO C C 13 176.35 0.000 . 1 . . . . -1 P C . 26691 2
9 . 1 1 2 2 PRO CA C 13 62.802 0.038 . 1 . . . . -1 P CA . 26691 2
10 . 1 1 2 2 PRO CB C 13 32.094 0.058 . 1 . . . . -1 P CB . 26691 2
11 . 1 1 2 2 PRO CG C 13 26.848 0.059 . 1 . . . . -1 P CG . 26691 2
12 . 1 1 2 2 PRO CD C 13 49.541 0.020 . 1 . . . . -1 P CD . 26691 2
13 . 1 1 3 3 HIS H H 1 8.386 0.001 . 1 . . . . 0 H H . 26691 2
14 . 1 1 3 3 HIS HA H 1 4.266 0.000 . 1 . . . . 0 H HA . 26691 2
15 . 1 1 3 3 HIS HB2 H 1 2.559 0.000 . 1 . . . . 0 H HB2 . 26691 2
16 . 1 1 3 3 HIS HB3 H 1 2.408 0.000 . 1 . . . . 0 H HB3 . 26691 2
17 . 1 1 3 3 HIS C C 13 174.99 0.000 . 1 . . . . 0 H C . 26691 2
18 . 1 1 3 3 HIS CA C 13 56.012 0.142 . 1 . . . . 0 H CA . 26691 2
19 . 1 1 3 3 HIS CB C 13 30.12 0.000 . 1 . . . . 0 H CB . 26691 2
20 . 1 1 3 3 HIS N N 15 120.179 0.020 . 1 . . . . 0 H N . 26691 2
21 . 1 1 4 4 MET H H 1 8.097 0.001 . 1 . . . . 1 M H . 26691 2
22 . 1 1 4 4 MET HA H 1 4.488 0.000 . 1 . . . . 1 M HA . 26691 2
23 . 1 1 4 4 MET HB2 H 1 1.772 0.000 . 2 . . . . 1 M HB . 26691 2
24 . 1 1 4 4 MET HB3 H 1 1.772 0.000 . 2 . . . . 1 M HB . 26691 2
25 . 1 1 4 4 MET HG2 H 1 1.418 0.000 . 1 . . . . 1 M HG2 . 26691 2
26 . 1 1 4 4 MET HG3 H 1 1.328 0.000 . 1 . . . . 1 M HG3 . 26691 2
27 . 1 1 4 4 MET HE1 H 1 1.924 0.001 . 1 . . . . 1 M HE . 26691 2
28 . 1 1 4 4 MET HE2 H 1 1.924 0.001 . 1 . . . . 1 M HE . 26691 2
29 . 1 1 4 4 MET HE3 H 1 1.924 0.001 . 1 . . . . 1 M HE . 26691 2
30 . 1 1 4 4 MET C C 13 175.692 0.000 . 1 . . . . 1 M C . 26691 2
31 . 1 1 4 4 MET CA C 13 55.436 0.070 . 1 . . . . 1 M CA . 26691 2
32 . 1 1 4 4 MET CB C 13 32.65 0.000 . 1 . . . . 1 M CB . 26691 2
33 . 1 1 4 4 MET CG C 13 25.415 0.000 . 1 . . . . 1 M CG . 26691 2
34 . 1 1 4 4 MET CE C 13 16.744 0.011 . 1 . . . . 1 M CE . 26691 2
35 . 1 1 4 4 MET N N 15 122.497 0.008 . 1 . . . . 1 M N . 26691 2
36 . 1 1 5 5 ALA H H 1 8.313 0.004 . 1 . . . . 2 A H . 26691 2
37 . 1 1 5 5 ALA HA H 1 4.162 0.002 . 1 . . . . 2 A HA . 26691 2
38 . 1 1 5 5 ALA HB1 H 1 1.203 0.005 . 1 . . . . 2 A HB . 26691 2
39 . 1 1 5 5 ALA HB2 H 1 1.203 0.005 . 1 . . . . 2 A HB . 26691 2
40 . 1 1 5 5 ALA HB3 H 1 1.203 0.005 . 1 . . . . 2 A HB . 26691 2
41 . 1 1 5 5 ALA C C 13 177.349 0.000 . 1 . . . . 2 A C . 26691 2
42 . 1 1 5 5 ALA CA C 13 52.534 0.019 . 1 . . . . 2 A CA . 26691 2
43 . 1 1 5 5 ALA CB C 13 19.221 0.079 . 1 . . . . 2 A CB . 26691 2
44 . 1 1 5 5 ALA N N 15 125.056 0.013 . 1 . . . . 2 A N . 26691 2
45 . 1 1 6 6 VAL H H 1 8.067 0.007 . 1 . . . . 3 V H . 26691 2
46 . 1 1 6 6 VAL HB H 1 2.108 0.004 . 1 . . . . 3 V HB . 26691 2
47 . 1 1 6 6 VAL HG21 H 1 0.69 0.001 . 1 . . . . 3 V HG2 . 26691 2
48 . 1 1 6 6 VAL HG22 H 1 0.69 0.001 . 1 . . . . 3 V HG2 . 26691 2
49 . 1 1 6 6 VAL HG23 H 1 0.69 0.001 . 1 . . . . 3 V HG2 . 26691 2
50 . 1 1 6 6 VAL C C 13 175.29 0.000 . 1 . . . . 3 V C . 26691 2
51 . 1 1 6 6 VAL CA C 13 62.001 0.015 . 1 . . . . 3 V CA . 26691 2
52 . 1 1 6 6 VAL CB C 13 32.104 0.039 . 1 . . . . 3 V CB . 26691 2
53 . 1 1 6 6 VAL CG2 C 13 21.352 0.003 . 1 . . . . 3 V CG2 . 26691 2
54 . 1 1 6 6 VAL N N 15 118.206 0.028 . 1 . . . . 3 V N . 26691 2
55 . 1 1 7 7 LEU H H 1 7.822 0.008 . 1 . . . . 4 L H . 26691 2
56 . 1 1 7 7 LEU HA H 1 4.258 0.007 . 1 . . . . 4 L HA . 26691 2
57 . 1 1 7 7 LEU HB2 H 1 1.535 0.002 . 1 . . . . 4 L HB2 . 26691 2
58 . 1 1 7 7 LEU HB3 H 1 0.861 0.003 . 1 . . . . 4 L HB3 . 26691 2
59 . 1 1 7 7 LEU HG H 1 1.443 0.003 . 1 . . . . 4 L HG . 26691 2
60 . 1 1 7 7 LEU HD11 H 1 0.659 0.004 . 1 . . . . 4 L HD1 . 26691 2
61 . 1 1 7 7 LEU HD12 H 1 0.659 0.004 . 1 . . . . 4 L HD1 . 26691 2
62 . 1 1 7 7 LEU HD13 H 1 0.659 0.004 . 1 . . . . 4 L HD1 . 26691 2
63 . 1 1 7 7 LEU HD21 H 1 0.38 0.009 . 1 . . . . 4 L HD2 . 26691 2
64 . 1 1 7 7 LEU HD22 H 1 0.38 0.009 . 1 . . . . 4 L HD2 . 26691 2
65 . 1 1 7 7 LEU HD23 H 1 0.38 0.009 . 1 . . . . 4 L HD2 . 26691 2
66 . 1 1 7 7 LEU C C 13 175.29 0.000 . 1 . . . . 4 L C . 26691 2
67 . 1 1 7 7 LEU CA C 13 54.091 0.019 . 1 . . . . 4 L CA . 26691 2
68 . 1 1 7 7 LEU CB C 13 43.148 0.028 . 1 . . . . 4 L CB . 26691 2
69 . 1 1 7 7 LEU CG C 13 26.497 0.000 . 1 . . . . 4 L CG . 26691 2
70 . 1 1 7 7 LEU CD1 C 13 24.974 0.049 . 1 . . . . 4 L CD1 . 26691 2
71 . 1 1 7 7 LEU CD2 C 13 22.044 0.033 . 1 . . . . 4 L CD2 . 26691 2
72 . 1 1 7 7 LEU N N 15 123.729 0.032 . 1 . . . . 4 L N . 26691 2
73 . 1 1 8 8 CYS H H 1 8.54 0.005 . 1 . . . . 5 C H . 26691 2
74 . 1 1 8 8 CYS HA H 1 3.793 0.011 . 1 . . . . 5 C HA . 26691 2
75 . 1 1 8 8 CYS HB2 H 1 3.324 0.011 . 1 . . . . 5 C HB2 . 26691 2
76 . 1 1 8 8 CYS HB3 H 1 2.796 0.011 . 1 . . . . 5 C HB3 . 26691 2
77 . 1 1 8 8 CYS C C 13 177.081 0.000 . 1 . . . . 5 C C . 26691 2
78 . 1 1 8 8 CYS CA C 13 59.794 0.040 . 1 . . . . 5 C CA . 26691 2
79 . 1 1 8 8 CYS CB C 13 31.932 0.118 . 1 . . . . 5 C CB . 26691 2
80 . 1 1 8 8 CYS N N 15 120.753 0.000 . 1 . . . . 5 C N . 26691 2
81 . 1 1 9 9 GLY H H 1 9.429 0.006 . 1 . . . . 6 G H . 26691 2
82 . 1 1 9 9 GLY HA2 H 1 4.057 0.005 . 1 . . . . 6 G HA2 . 26691 2
83 . 1 1 9 9 GLY HA3 H 1 3.714 0.002 . 1 . . . . 6 G HA3 . 26691 2
84 . 1 1 9 9 GLY C C 13 173.316 0.000 . 1 . . . . 6 G C . 26691 2
85 . 1 1 9 9 GLY CA C 13 46.302 0.051 . 1 . . . . 6 G CA . 26691 2
86 . 1 1 9 9 GLY N N 15 117.661 0.021 . 1 . . . . 6 G N . 26691 2
87 . 1 1 10 10 VAL H H 1 9.029 0.005 . 1 . . . . 7 V H . 26691 2
88 . 1 1 10 10 VAL HA H 1 4.029 0.004 . 1 . . . . 7 V HA . 26691 2
89 . 1 1 10 10 VAL HB H 1 2.101 0.006 . 1 . . . . 7 V HB . 26691 2
90 . 1 1 10 10 VAL HG11 H 1 0.87 0.003 . 1 . . . . 7 V HG1 . 26691 2
91 . 1 1 10 10 VAL HG12 H 1 0.87 0.003 . 1 . . . . 7 V HG1 . 26691 2
92 . 1 1 10 10 VAL HG13 H 1 0.87 0.003 . 1 . . . . 7 V HG1 . 26691 2
93 . 1 1 10 10 VAL HG21 H 1 0.795 0.002 . 1 . . . . 7 V HG2 . 26691 2
94 . 1 1 10 10 VAL HG22 H 1 0.795 0.002 . 1 . . . . 7 V HG2 . 26691 2
95 . 1 1 10 10 VAL HG23 H 1 0.795 0.002 . 1 . . . . 7 V HG2 . 26691 2
96 . 1 1 10 10 VAL C C 13 176.172 0.000 . 1 . . . . 7 V C . 26691 2
97 . 1 1 10 10 VAL CA C 13 64.544 0.050 . 1 . . . . 7 V CA . 26691 2
98 . 1 1 10 10 VAL CB C 13 32.697 0.049 . 1 . . . . 7 V CB . 26691 2
99 . 1 1 10 10 VAL CG1 C 13 21.598 0.029 . 1 . . . . 7 V CG1 . 26691 2
100 . 1 1 10 10 VAL CG2 C 13 21.397 0.031 . 1 . . . . 7 V CG2 . 26691 2
101 . 1 1 10 10 VAL N N 15 122.739 0.020 . 1 . . . . 7 V N . 26691 2
102 . 1 1 11 11 CYS H H 1 8.371 0.006 . 1 . . . . 8 C H . 26691 2
103 . 1 1 11 11 CYS HA H 1 4.657 0.004 . 1 . . . . 8 C HA . 26691 2
104 . 1 1 11 11 CYS HB2 H 1 2.973 0.006 . 1 . . . . 8 C HB2 . 26691 2
105 . 1 1 11 11 CYS HB3 H 1 2.831 0.011 . 1 . . . . 8 C HB3 . 26691 2
106 . 1 1 11 11 CYS C C 13 176.875 0.000 . 1 . . . . 8 C C . 26691 2
107 . 1 1 11 11 CYS CA C 13 59.349 0.022 . 1 . . . . 8 C CA . 26691 2
108 . 1 1 11 11 CYS CB C 13 31.791 0.054 . 1 . . . . 8 C CB . 26691 2
109 . 1 1 11 11 CYS N N 15 118.652 0.012 . 1 . . . . 8 C N . 26691 2
110 . 1 1 12 12 GLY H H 1 7.252 0.004 . 1 . . . . 9 G H . 26691 2
111 . 1 1 12 12 GLY HA2 H 1 3.943 0.005 . 2 . . . . 9 G HA . 26691 2
112 . 1 1 12 12 GLY HA3 H 1 3.943 0.005 . 2 . . . . 9 G HA . 26691 2
113 . 1 1 12 12 GLY C C 13 176.875 0.000 . 1 . . . . 9 G C . 26691 2
114 . 1 1 12 12 GLY CA C 13 46.747 0.037 . 1 . . . . 9 G CA . 26691 2
115 . 1 1 12 12 GLY N N 15 110.476 0.035 . 1 . . . . 9 G N . 26691 2
116 . 1 1 13 13 ILE H H 1 7.955 0.007 . 1 . . . . 10 I H . 26691 2
117 . 1 1 13 13 ILE HA H 1 4.378 0.003 . 1 . . . . 10 I HA . 26691 2
118 . 1 1 13 13 ILE HB H 1 1.945 0.003 . 1 . . . . 10 I HB . 26691 2
119 . 1 1 13 13 ILE HG12 H 1 1.366 0.005 . 1 . . . . 10 I HG12 . 26691 2
120 . 1 1 13 13 ILE HG13 H 1 0.997 0.004 . 1 . . . . 10 I HG13 . 26691 2
121 . 1 1 13 13 ILE HG21 H 1 0.812 0.010 . 1 . . . . 10 I HG2 . 26691 2
122 . 1 1 13 13 ILE HG22 H 1 0.812 0.010 . 1 . . . . 10 I HG2 . 26691 2
123 . 1 1 13 13 ILE HG23 H 1 0.812 0.010 . 1 . . . . 10 I HG2 . 26691 2
124 . 1 1 13 13 ILE HD11 H 1 0.741 0.005 . 1 . . . . 10 I HD1 . 26691 2
125 . 1 1 13 13 ILE HD12 H 1 0.741 0.005 . 1 . . . . 10 I HD1 . 26691 2
126 . 1 1 13 13 ILE HD13 H 1 0.741 0.005 . 1 . . . . 10 I HD1 . 26691 2
127 . 1 1 13 13 ILE C C 13 175.519 0.000 . 1 . . . . 10 I C . 26691 2
128 . 1 1 13 13 ILE CA C 13 62.165 0.053 . 1 . . . . 10 I CA . 26691 2
129 . 1 1 13 13 ILE CB C 13 40.817 0.018 . 1 . . . . 10 I CB . 26691 2
130 . 1 1 13 13 ILE CG1 C 13 26.96 0.042 . 1 . . . . 10 I CG1 . 26691 2
131 . 1 1 13 13 ILE CG2 C 13 17.524 0.031 . 1 . . . . 10 I CG2 . 26691 2
132 . 1 1 13 13 ILE CD1 C 13 13.313 0.025 . 1 . . . . 10 I CD1 . 26691 2
133 . 1 1 13 13 ILE N N 15 115.299 0.019 . 1 . . . . 10 I N . 26691 2
134 . 1 1 14 14 LYS H H 1 8.004 0.006 . 1 . . . . 11 K H . 26691 2
135 . 1 1 14 14 LYS HA H 1 4.429 0.004 . 1 . . . . 11 K HA . 26691 2
136 . 1 1 14 14 LYS HB2 H 1 2.148 0.004 . 2 . . . . 11 K HB . 26691 2
137 . 1 1 14 14 LYS HB3 H 1 2.148 0.004 . 2 . . . . 11 K HB . 26691 2
138 . 1 1 14 14 LYS HG2 H 1 1.892 0.004 . 1 . . . . 11 K HG2 . 26691 2
139 . 1 1 14 14 LYS HG3 H 1 1.723 0.004 . 1 . . . . 11 K HG3 . 26691 2
140 . 1 1 14 14 LYS C C 13 175.168 0.000 . 1 . . . . 11 K C . 26691 2
141 . 1 1 14 14 LYS CA C 13 54.647 0.087 . 1 . . . . 11 K CA . 26691 2
142 . 1 1 14 14 LYS CB C 13 33.25 0.032 . 1 . . . . 11 K CB . 26691 2
143 . 1 1 14 14 LYS CG C 13 30.568 0.037 . 1 . . . . 11 K CG . 26691 2
144 . 1 1 14 14 LYS N N 15 125.387 0.032 . 1 . . . . 11 K N . 26691 2
145 . 1 1 15 15 GLU H H 1 8.683 0.015 . 1 . . . . 12 E H . 26691 2
146 . 1 1 15 15 GLU HA H 1 4.16 0.004 . 1 . . . . 12 E HA . 26691 2
147 . 1 1 15 15 GLU HB2 H 1 2.11 0.006 . 2 . . . . 12 E HB . 26691 2
148 . 1 1 15 15 GLU HB3 H 1 2.11 0.006 . 2 . . . . 12 E HB . 26691 2
149 . 1 1 15 15 GLU HG2 H 1 1.748 0.004 . 2 . . . . 12 E HG . 26691 2
150 . 1 1 15 15 GLU HG3 H 1 1.748 0.004 . 2 . . . . 12 E HG . 26691 2
151 . 1 1 15 15 GLU C C 13 176.094 0.000 . 1 . . . . 12 E C . 26691 2
152 . 1 1 15 15 GLU CA C 13 56.786 0.038 . 1 . . . . 12 E CA . 26691 2
153 . 1 1 15 15 GLU CB C 13 36.521 0.045 . 1 . . . . 12 E CB . 26691 2
154 . 1 1 15 15 GLU CG C 13 30.051 0.031 . 1 . . . . 12 E CG . 26691 2
155 . 1 1 15 15 GLU N N 15 122.336 0.013 . 1 . . . . 12 E N . 26691 2
156 . 1 1 16 16 PHE H H 1 8.322 0.008 . 1 . . . . 13 F H . 26691 2
157 . 1 1 16 16 PHE HA H 1 3.756 0.004 . 1 . . . . 13 F HA . 26691 2
158 . 1 1 16 16 PHE HB2 H 1 2.862 0.007 . 1 . . . . 13 F HB2 . 26691 2
159 . 1 1 16 16 PHE HB3 H 1 2.418 0.008 . 1 . . . . 13 F HB3 . 26691 2
160 . 1 1 16 16 PHE HD1 H 1 7.025 0.007 . 3 . . . . 13 F QD . 26691 2
161 . 1 1 16 16 PHE HD2 H 1 7.025 0.007 . 3 . . . . 13 F QD . 26691 2
162 . 1 1 16 16 PHE HE1 H 1 7.016 0.000 . 3 . . . . 13 F QE . 26691 2
163 . 1 1 16 16 PHE HE2 H 1 7.016 0.000 . 3 . . . . 13 F QE . 26691 2
164 . 1 1 16 16 PHE C C 13 176.094 0.000 . 1 . . . . 13 F C . 26691 2
165 . 1 1 16 16 PHE CA C 13 57.473 0.044 . 1 . . . . 13 F CA . 26691 2
166 . 1 1 16 16 PHE CB C 13 39.433 0.075 . 1 . . . . 13 F CB . 26691 2
167 . 1 1 16 16 PHE CD1 C 13 132.403 0.017 . 1 . . . . 13 F CD1 . 26691 2
168 . 1 1 16 16 PHE CE1 C 13 131.065 0.000 . 1 . . . . 13 F CE1 . 26691 2
169 . 1 1 16 16 PHE N N 15 120.547 0.026 . 1 . . . . 13 F N . 26691 2
170 . 1 1 17 17 LYS H H 1 8.526 0.006 . 1 . . . . 14 K H . 26691 2
171 . 1 1 17 17 LYS HA H 1 3.757 0.002 . 1 . . . . 14 K HA . 26691 2
172 . 1 1 17 17 LYS HB2 H 1 0.959 0.004 . 2 . . . . 14 K HB . 26691 2
173 . 1 1 17 17 LYS HB3 H 1 0.959 0.004 . 2 . . . . 14 K HB . 26691 2
174 . 1 1 17 17 LYS HG2 H 1 0.845 0.006 . 1 . . . . 14 K HG2 . 26691 2
175 . 1 1 17 17 LYS HG3 H 1 0.684 0.007 . 1 . . . . 14 K HG3 . 26691 2
176 . 1 1 17 17 LYS HD2 H 1 1.317 0.006 . 2 . . . . 14 K HD . 26691 2
177 . 1 1 17 17 LYS HD3 H 1 1.317 0.006 . 2 . . . . 14 K HD . 26691 2
178 . 1 1 17 17 LYS HE2 H 1 2.708 0.002 . 2 . . . . 14 K HE . 26691 2
179 . 1 1 17 17 LYS HE3 H 1 2.708 0.002 . 2 . . . . 14 K HE . 26691 2
180 . 1 1 17 17 LYS C C 13 174.342 0.000 . 1 . . . . 14 K C . 26691 2
181 . 1 1 17 17 LYS CA C 13 56.46 0.048 . 1 . . . . 14 K CA . 26691 2
182 . 1 1 17 17 LYS CB C 13 36.608 0.043 . 1 . . . . 14 K CB . 26691 2
183 . 1 1 17 17 LYS CG C 13 24.276 0.022 . 1 . . . . 14 K CG . 26691 2
184 . 1 1 17 17 LYS CD C 13 28.758 0.011 . 1 . . . . 14 K CD . 26691 2
185 . 1 1 17 17 LYS CE C 13 41.959 0.044 . 1 . . . . 14 K CE . 26691 2
186 . 1 1 17 17 LYS N N 15 119.109 0.037 . 1 . . . . 14 K N . 26691 2
187 . 1 1 18 18 TYR H H 1 8.384 0.009 . 1 . . . . 15 Y H . 26691 2
188 . 1 1 18 18 TYR HA H 1 4.802 0.009 . 1 . . . . 15 Y HA . 26691 2
189 . 1 1 18 18 TYR HB2 H 1 2.899 0.006 . 1 . . . . 15 Y HB2 . 26691 2
190 . 1 1 18 18 TYR HB3 H 1 2.719 0.004 . 1 . . . . 15 Y HB3 . 26691 2
191 . 1 1 18 18 TYR HD1 H 1 6.813 0.007 . 3 . . . . 15 Y QD . 26691 2
192 . 1 1 18 18 TYR HD2 H 1 6.813 0.007 . 3 . . . . 15 Y QD . 26691 2
193 . 1 1 18 18 TYR HE1 H 1 6.523 0.009 . 3 . . . . 15 Y QE . 26691 2
194 . 1 1 18 18 TYR HE2 H 1 6.523 0.009 . 3 . . . . 15 Y QE . 26691 2
195 . 1 1 18 18 TYR C C 13 174.371 0.000 . 1 . . . . 15 Y C . 26691 2
196 . 1 1 18 18 TYR CA C 13 56.384 0.044 . 1 . . . . 15 Y CA . 26691 2
197 . 1 1 18 18 TYR CB C 13 40.904 0.047 . 1 . . . . 15 Y CB . 26691 2
198 . 1 1 18 18 TYR CD1 C 13 133.245 0.040 . 1 . . . . 15 Y CD1 . 26691 2
199 . 1 1 18 18 TYR CE1 C 13 117.499 0.022 . 1 . . . . 15 Y CE1 . 26691 2
200 . 1 1 18 18 TYR N N 15 119.067 0.035 . 1 . . . . 15 Y N . 26691 2
201 . 1 1 19 19 LYS H H 1 8.511 0.003 . 1 . . . . 16 K H . 26691 2
202 . 1 1 19 19 LYS HA H 1 4.544 0.003 . 1 . . . . 16 K HA . 26691 2
203 . 1 1 19 19 LYS HB2 H 1 1.416 0.009 . 2 . . . . 16 K HB . 26691 2
204 . 1 1 19 19 LYS HB3 H 1 1.416 0.009 . 2 . . . . 16 K HB . 26691 2
205 . 1 1 19 19 LYS HG2 H 1 1.089 0.003 . 1 . . . . 16 K HG2 . 26691 2
206 . 1 1 19 19 LYS HG3 H 1 0.958 0.004 . 1 . . . . 16 K HG3 . 26691 2
207 . 1 1 19 19 LYS HD2 H 1 1.44 0.002 . 2 . . . . 16 K HD . 26691 2
208 . 1 1 19 19 LYS HD3 H 1 1.44 0.002 . 2 . . . . 16 K HD . 26691 2
209 . 1 1 19 19 LYS HE2 H 1 2.69 0.009 . 2 . . . . 16 K HE . 26691 2
210 . 1 1 19 19 LYS HE3 H 1 2.69 0.009 . 2 . . . . 16 K HE . 26691 2
211 . 1 1 19 19 LYS C C 13 174.371 0.000 . 1 . . . . 16 K C . 26691 2
212 . 1 1 19 19 LYS CA C 13 55.159 0.225 . 1 . . . . 16 K CA . 26691 2
213 . 1 1 19 19 LYS CB C 13 35.411 0.030 . 1 . . . . 16 K CB . 26691 2
214 . 1 1 19 19 LYS CG C 13 24.671 0.044 . 1 . . . . 16 K CG . 26691 2
215 . 1 1 19 19 LYS CD C 13 29.522 0.047 . 1 . . . . 16 K CD . 26691 2
216 . 1 1 19 19 LYS CE C 13 41.825 0.073 . 1 . . . . 16 K CE . 26691 2
217 . 1 1 19 19 LYS N N 15 120.76 0.022 . 1 . . . . 16 K N . 26691 2
218 . 1 1 20 20 CYS HA H 1 4.451 0.009 . 1 . . . . 17 C HA . 26691 2
219 . 1 1 20 20 CYS HB2 H 1 2.968 0.013 . 2 . . . . 17 C HB . 26691 2
220 . 1 1 20 20 CYS HB3 H 1 2.968 0.013 . 2 . . . . 17 C HB . 26691 2
221 . 1 1 20 20 CYS CA C 13 56.122 0.042 . 1 . . . . 17 C CA . 26691 2
222 . 1 1 20 20 CYS CB C 13 30.334 0.093 . 1 . . . . 17 C CB . 26691 2
223 . 1 1 21 21 PRO HA H 1 4.202 0.002 . 1 . . . . 18 P HA . 26691 2
224 . 1 1 21 21 PRO HB2 H 1 2.217 0.004 . 1 . . . . 18 P HB2 . 26691 2
225 . 1 1 21 21 PRO HB3 H 1 1.736 0.005 . 1 . . . . 18 P HB3 . 26691 2
226 . 1 1 21 21 PRO HG2 H 1 1.969 0.002 . 1 . . . . 18 P HG2 . 26691 2
227 . 1 1 21 21 PRO HG3 H 1 1.859 0.002 . 1 . . . . 18 P HG3 . 26691 2
228 . 1 1 21 21 PRO HD2 H 1 3.938 0.002 . 2 . . . . 18 P HD . 26691 2
229 . 1 1 21 21 PRO HD3 H 1 3.938 0.002 . 2 . . . . 18 P HD . 26691 2
230 . 1 1 21 21 PRO CA C 13 64.071 0.030 . 1 . . . . 18 P CA . 26691 2
231 . 1 1 21 21 PRO CB C 13 32.33 0.030 . 1 . . . . 18 P CB . 26691 2
232 . 1 1 21 21 PRO CG C 13 27.342 0.036 . 1 . . . . 18 P CG . 26691 2
233 . 1 1 21 21 PRO CD C 13 51.155 0.034 . 1 . . . . 18 P CD . 26691 2
234 . 1 1 22 22 ARG HA H 1 4.099 0.002 . 1 . . . . 19 R HA . 26691 2
235 . 1 1 22 22 ARG HB2 H 1 1.482 0.007 . 1 . . . . 19 R HB2 . 26691 2
236 . 1 1 22 22 ARG HB3 H 1 1.387 0.003 . 1 . . . . 19 R HB3 . 26691 2
237 . 1 1 22 22 ARG HG2 H 1 1.383 0.001 . 2 . . . . 19 R HG . 26691 2
238 . 1 1 22 22 ARG HG3 H 1 1.383 0.001 . 2 . . . . 19 R HG . 26691 2
239 . 1 1 22 22 ARG HD2 H 1 3.362 0.004 . 1 . . . . 19 R HD2 . 26691 2
240 . 1 1 22 22 ARG HD3 H 1 3.198 0.007 . 1 . . . . 19 R HD3 . 26691 2
241 . 1 1 22 22 ARG C C 13 175.938 0.000 . 1 . . . . 19 R C . 26691 2
242 . 1 1 22 22 ARG CA C 13 57.497 0.055 . 1 . . . . 19 R CA . 26691 2
243 . 1 1 22 22 ARG CB C 13 31.562 0.031 . 1 . . . . 19 R CB . 26691 2
244 . 1 1 22 22 ARG CG C 13 27.925 0.052 . 1 . . . . 19 R CG . 26691 2
245 . 1 1 22 22 ARG CD C 13 42.858 0.048 . 1 . . . . 19 R CD . 26691 2
246 . 1 1 23 23 CYS H H 1 7.664 0.013 . 1 . . . . 20 C H . 26691 2
247 . 1 1 23 23 CYS HA H 1 4.829 0.002 . 1 . . . . 20 C HA . 26691 2
248 . 1 1 23 23 CYS HB2 H 1 3.141 0.004 . 1 . . . . 20 C HB2 . 26691 2
249 . 1 1 23 23 CYS HB3 H 1 2.661 0.003 . 1 . . . . 20 C HB3 . 26691 2
250 . 1 1 23 23 CYS C C 13 175.54 0.000 . 1 . . . . 20 C C . 26691 2
251 . 1 1 23 23 CYS CA C 13 58.389 0.036 . 1 . . . . 20 C CA . 26691 2
252 . 1 1 23 23 CYS CB C 13 31.862 0.028 . 1 . . . . 20 C CB . 26691 2
253 . 1 1 23 23 CYS N N 15 117.175 0.023 . 1 . . . . 20 C N . 26691 2
254 . 1 1 24 24 LEU H H 1 7.747 0.013 . 1 . . . . 21 L H . 26691 2
255 . 1 1 24 24 LEU HA H 1 3.954 0.002 . 1 . . . . 21 L HA . 26691 2
256 . 1 1 24 24 LEU HB2 H 1 1.969 0.002 . 1 . . . . 21 L HB2 . 26691 2
257 . 1 1 24 24 LEU HB3 H 1 1.406 0.003 . 1 . . . . 21 L HB3 . 26691 2
258 . 1 1 24 24 LEU HG H 1 1.243 0.004 . 1 . . . . 21 L HG . 26691 2
259 . 1 1 24 24 LEU HD11 H 1 0.698 0.004 . 1 . . . . 21 L HD1 . 26691 2
260 . 1 1 24 24 LEU HD12 H 1 0.698 0.004 . 1 . . . . 21 L HD1 . 26691 2
261 . 1 1 24 24 LEU HD13 H 1 0.698 0.004 . 1 . . . . 21 L HD1 . 26691 2
262 . 1 1 24 24 LEU HD21 H 1 0.636 0.003 . 1 . . . . 21 L HD2 . 26691 2
263 . 1 1 24 24 LEU HD22 H 1 0.636 0.003 . 1 . . . . 21 L HD2 . 26691 2
264 . 1 1 24 24 LEU HD23 H 1 0.636 0.003 . 1 . . . . 21 L HD2 . 26691 2
265 . 1 1 24 24 LEU C C 13 176.162 0.000 . 1 . . . . 21 L C . 26691 2
266 . 1 1 24 24 LEU CA C 13 56.897 0.045 . 1 . . . . 21 L CA . 26691 2
267 . 1 1 24 24 LEU CB C 13 38.617 0.041 . 1 . . . . 21 L CB . 26691 2
268 . 1 1 24 24 LEU CG C 13 27.321 0.030 . 1 . . . . 21 L CG . 26691 2
269 . 1 1 24 24 LEU CD1 C 13 24.911 0.062 . 1 . . . . 21 L CD1 . 26691 2
270 . 1 1 24 24 LEU CD2 C 13 22.491 0.031 . 1 . . . . 21 L CD2 . 26691 2
271 . 1 1 24 24 LEU N N 15 117.529 0.011 . 1 . . . . 21 L N . 26691 2
272 . 1 1 25 25 VAL H H 1 8.181 0.004 . 1 . . . . 22 V H . 26691 2
273 . 1 1 25 25 VAL HA H 1 3.559 0.006 . 1 . . . . 22 V HA . 26691 2
274 . 1 1 25 25 VAL HB H 1 1.281 0.000 . 1 . . . . 22 V HB . 26691 2
275 . 1 1 25 25 VAL HG11 H 1 0.214 0.005 . 1 . . . . 22 V HG1 . 26691 2
276 . 1 1 25 25 VAL HG12 H 1 0.214 0.005 . 1 . . . . 22 V HG1 . 26691 2
277 . 1 1 25 25 VAL HG13 H 1 0.214 0.005 . 1 . . . . 22 V HG1 . 26691 2
278 . 1 1 25 25 VAL HG21 H 1 0.86 0.004 . 1 . . . . 22 V HG2 . 26691 2
279 . 1 1 25 25 VAL HG22 H 1 0.86 0.004 . 1 . . . . 22 V HG2 . 26691 2
280 . 1 1 25 25 VAL HG23 H 1 0.86 0.004 . 1 . . . . 22 V HG2 . 26691 2
281 . 1 1 25 25 VAL C C 13 176.162 0.000 . 1 . . . . 22 V C . 26691 2
282 . 1 1 25 25 VAL CA C 13 64.951 0.022 . 1 . . . . 22 V CA . 26691 2
283 . 1 1 25 25 VAL CB C 13 31.422 0.000 . 1 . . . . 22 V CB . 26691 2
284 . 1 1 25 25 VAL CG1 C 13 20.199 0.014 . 1 . . . . 22 V CG1 . 26691 2
285 . 1 1 25 25 VAL CG2 C 13 24.549 0.038 . 1 . . . . 22 V CG2 . 26691 2
286 . 1 1 25 25 VAL N N 15 123.056 0.023 . 1 . . . . 22 V N . 26691 2
287 . 1 1 26 26 GLN H H 1 8.552 0.015 . 1 . . . . 23 Q H . 26691 2
288 . 1 1 26 26 GLN HA H 1 5.077 0.005 . 1 . . . . 23 Q HA . 26691 2
289 . 1 1 26 26 GLN HB2 H 1 1.521 0.005 . 1 . . . . 23 Q HB2 . 26691 2
290 . 1 1 26 26 GLN HB3 H 1 1.373 0.007 . 1 . . . . 23 Q HB3 . 26691 2
291 . 1 1 26 26 GLN HG2 H 1 2.078 0.004 . 1 . . . . 23 Q HG2 . 26691 2
292 . 1 1 26 26 GLN HG3 H 1 1.524 0.003 . 1 . . . . 23 Q HG3 . 26691 2
293 . 1 1 26 26 GLN HE21 H 1 6.279 0.006 . 2 . . . . 23 Q HE21 . 26691 2
294 . 1 1 26 26 GLN C C 13 175.728 0.000 . 1 . . . . 23 Q C . 26691 2
295 . 1 1 26 26 GLN CA C 13 53.799 0.049 . 1 . . . . 23 Q CA . 26691 2
296 . 1 1 26 26 GLN CB C 13 29.458 0.084 . 1 . . . . 23 Q CB . 26691 2
297 . 1 1 26 26 GLN CG C 13 34.181 0.059 . 1 . . . . 23 Q CG . 26691 2
298 . 1 1 26 26 GLN N N 15 128.847 0.000 . 1 . . . . 23 Q N . 26691 2
299 . 1 1 26 26 GLN NE2 N 15 109.423 0.013 . 1 . . . . 23 Q NE2 . 26691 2
300 . 1 1 27 27 THR H H 1 9.081 0.007 . 1 . . . . 24 T H . 26691 2
301 . 1 1 27 27 THR HA H 1 6.479 0.006 . 1 . . . . 24 T HA . 26691 2
302 . 1 1 27 27 THR HB H 1 4.175 0.003 . 1 . . . . 24 T HB . 26691 2
303 . 1 1 27 27 THR HG21 H 1 0.868 0.002 . 1 . . . . 24 T HG2 . 26691 2
304 . 1 1 27 27 THR HG22 H 1 0.868 0.002 . 1 . . . . 24 T HG2 . 26691 2
305 . 1 1 27 27 THR HG23 H 1 0.868 0.002 . 1 . . . . 24 T HG2 . 26691 2
306 . 1 1 27 27 THR C C 13 177.161 0.000 . 1 . . . . 24 T C . 26691 2
307 . 1 1 27 27 THR CA C 13 59.234 0.070 . 1 . . . . 24 T CA . 26691 2
308 . 1 1 27 27 THR CB C 13 73.994 0.023 . 1 . . . . 24 T CB . 26691 2
309 . 1 1 27 27 THR CG2 C 13 22.541 0.045 . 1 . . . . 24 T CG2 . 26691 2
310 . 1 1 27 27 THR N N 15 111.847 0.025 . 1 . . . . 24 T N . 26691 2
311 . 1 1 28 28 CYS H H 1 9.336 0.004 . 1 . . . . 25 C H . 26691 2
312 . 1 1 28 28 CYS HB2 H 1 3.049 0.010 . 1 . . . . 25 C HB2 . 26691 2
313 . 1 1 28 28 CYS HB3 H 1 2.514 0.006 . 1 . . . . 25 C HB3 . 26691 2
314 . 1 1 28 28 CYS C C 13 174.594 0.000 . 1 . . . . 25 C C . 26691 2
315 . 1 1 28 28 CYS CA C 13 59.599 0.011 . 1 . . . . 25 C CA . 26691 2
316 . 1 1 28 28 CYS CB C 13 35.046 0.042 . 1 . . . . 25 C CB . 26691 2
317 . 1 1 28 28 CYS N N 15 121.048 0.024 . 1 . . . . 25 C N . 26691 2
318 . 1 1 29 29 SER H H 1 7.273 0.005 . 1 . . . . 26 S H . 26691 2
319 . 1 1 29 29 SER HA H 1 4.896 0.005 . 1 . . . . 26 S HA . 26691 2
320 . 1 1 29 29 SER HB2 H 1 4.25 0.005 . 1 . . . . 26 S HB2 . 26691 2
321 . 1 1 29 29 SER HB3 H 1 4.16 0.005 . 1 . . . . 26 S HB3 . 26691 2
322 . 1 1 29 29 SER C C 13 174.594 0.000 . 1 . . . . 26 S C . 26691 2
323 . 1 1 29 29 SER CA C 13 57.248 0.047 . 1 . . . . 26 S CA . 26691 2
324 . 1 1 29 29 SER CB C 13 64.667 0.040 . 1 . . . . 26 S CB . 26691 2
325 . 1 1 29 29 SER N N 15 111.101 0.032 . 1 . . . . 26 S N . 26691 2
326 . 1 1 30 30 LEU HA H 1 3.859 0.004 . 1 . . . . 27 L HA . 26691 2
327 . 1 1 30 30 LEU HB2 H 1 1.606 0.006 . 1 . . . . 27 L HB2 . 26691 2
328 . 1 1 30 30 LEU HB3 H 1 1.42 0.004 . 1 . . . . 27 L HB3 . 26691 2
329 . 1 1 30 30 LEU HG H 1 1.491 0.007 . 1 . . . . 27 L HG . 26691 2
330 . 1 1 30 30 LEU HD11 H 1 0.761 0.004 . 1 . . . . 27 L HD1 . 26691 2
331 . 1 1 30 30 LEU HD12 H 1 0.761 0.004 . 1 . . . . 27 L HD1 . 26691 2
332 . 1 1 30 30 LEU HD13 H 1 0.761 0.004 . 1 . . . . 27 L HD1 . 26691 2
333 . 1 1 30 30 LEU HD21 H 1 0.541 0.003 . 1 . . . . 27 L HD2 . 26691 2
334 . 1 1 30 30 LEU HD22 H 1 0.541 0.003 . 1 . . . . 27 L HD2 . 26691 2
335 . 1 1 30 30 LEU HD23 H 1 0.541 0.003 . 1 . . . . 27 L HD2 . 26691 2
336 . 1 1 30 30 LEU C C 13 179.455 0.000 . 1 . . . . 27 L C . 26691 2
337 . 1 1 30 30 LEU CA C 13 57.589 0.050 . 1 . . . . 27 L CA . 26691 2
338 . 1 1 30 30 LEU CB C 13 40.768 0.034 . 1 . . . . 27 L CB . 26691 2
339 . 1 1 30 30 LEU CG C 13 25.656 0.032 . 1 . . . . 27 L CG . 26691 2
340 . 1 1 30 30 LEU CD1 C 13 24.287 0.050 . 1 . . . . 27 L CD1 . 26691 2
341 . 1 1 30 30 LEU CD2 C 13 23.064 0.026 . 1 . . . . 27 L CD2 . 26691 2
342 . 1 1 31 31 GLU H H 1 8.787 0.004 . 1 . . . . 28 E H . 26691 2
343 . 1 1 31 31 GLU HA H 1 3.889 0.005 . 1 . . . . 28 E HA . 26691 2
344 . 1 1 31 31 GLU HB2 H 1 2.074 0.002 . 1 . . . . 28 E HB2 . 26691 2
345 . 1 1 31 31 GLU HB3 H 1 1.843 0.006 . 1 . . . . 28 E HB3 . 26691 2
346 . 1 1 31 31 GLU HG2 H 1 2.306 0.006 . 1 . . . . 28 E HG2 . 26691 2
347 . 1 1 31 31 GLU HG3 H 1 2.133 0.006 . 1 . . . . 28 E HG3 . 26691 2
348 . 1 1 31 31 GLU C C 13 179.776 0.000 . 1 . . . . 28 E C . 26691 2
349 . 1 1 31 31 GLU CA C 13 60.705 0.036 . 1 . . . . 28 E CA . 26691 2
350 . 1 1 31 31 GLU CB C 13 28.723 0.056 . 1 . . . . 28 E CB . 26691 2
351 . 1 1 31 31 GLU CG C 13 36.713 0.017 . 1 . . . . 28 E CG . 26691 2
352 . 1 1 31 31 GLU N N 15 119.644 0.017 . 1 . . . . 28 E N . 26691 2
353 . 1 1 32 32 CYS H H 1 7.989 0.006 . 1 . . . . 29 C H . 26691 2
354 . 1 1 32 32 CYS HA H 1 4.092 0.005 . 1 . . . . 29 C HA . 26691 2
355 . 1 1 32 32 CYS HB2 H 1 2.865 0.006 . 1 . . . . 29 C HB2 . 26691 2
356 . 1 1 32 32 CYS HB3 H 1 2.703 0.004 . 1 . . . . 29 C HB3 . 26691 2
357 . 1 1 32 32 CYS C C 13 177.957 0.000 . 1 . . . . 29 C C . 26691 2
358 . 1 1 32 32 CYS CA C 13 65.858 0.087 . 1 . . . . 29 C CA . 26691 2
359 . 1 1 32 32 CYS CB C 13 30.795 0.036 . 1 . . . . 29 C CB . 26691 2
360 . 1 1 32 32 CYS N N 15 120.437 0.015 . 1 . . . . 29 C N . 26691 2
361 . 1 1 33 33 SER H H 1 8.584 0.006 . 1 . . . . 30 S H . 26691 2
362 . 1 1 33 33 SER C C 13 177.957 0.000 . 1 . . . . 30 S C . 26691 2
363 . 1 1 33 33 SER CA C 13 63.027 0.000 . 1 . . . . 30 S CA . 26691 2
364 . 1 1 33 33 SER N N 15 117.103 0.036 . 1 . . . . 30 S N . 26691 2
365 . 1 1 34 34 LYS H H 1 8.438 0.000 . 1 . . . . 31 K H . 26691 2
366 . 1 1 34 34 LYS HA H 1 3.828 0.004 . 1 . . . . 31 K HA . 26691 2
367 . 1 1 34 34 LYS HB2 H 1 1.824 0.007 . 2 . . . . 31 K HB . 26691 2
368 . 1 1 34 34 LYS HB3 H 1 1.824 0.007 . 2 . . . . 31 K HB . 26691 2
369 . 1 1 34 34 LYS HG2 H 1 1.454 0.007 . 1 . . . . 31 K HG2 . 26691 2
370 . 1 1 34 34 LYS HG3 H 1 1.286 0.007 . 1 . . . . 31 K HG3 . 26691 2
371 . 1 1 34 34 LYS HD2 H 1 1.529 0.004 . 2 . . . . 31 K HD . 26691 2
372 . 1 1 34 34 LYS HD3 H 1 1.529 0.004 . 2 . . . . 31 K HD . 26691 2
373 . 1 1 34 34 LYS C C 13 179.196 0.000 . 1 . . . . 31 K C . 26691 2
374 . 1 1 34 34 LYS CA C 13 60.182 0.023 . 1 . . . . 31 K CA . 26691 2
375 . 1 1 34 34 LYS CB C 13 32.093 0.033 . 1 . . . . 31 K CB . 26691 2
376 . 1 1 34 34 LYS CG C 13 25.386 0.046 . 1 . . . . 31 K CG . 26691 2
377 . 1 1 34 34 LYS CD C 13 29.558 0.035 . 1 . . . . 31 K CD . 26691 2
378 . 1 1 34 34 LYS N N 15 122.212 0.000 . 1 . . . . 31 K N . 26691 2
379 . 1 1 35 35 LYS H H 1 7.795 0.006 . 1 . . . . 32 K H . 26691 2
380 . 1 1 35 35 LYS HA H 1 3.991 0.003 . 1 . . . . 32 K HA . 26691 2
381 . 1 1 35 35 LYS HB2 H 1 1.866 0.001 . 1 . . . . 32 K HB2 . 26691 2
382 . 1 1 35 35 LYS HB3 H 1 1.789 0.008 . 1 . . . . 32 K HB3 . 26691 2
383 . 1 1 35 35 LYS HG2 H 1 1.458 0.004 . 1 . . . . 32 K HG2 . 26691 2
384 . 1 1 35 35 LYS HG3 H 1 1.287 0.005 . 1 . . . . 32 K HG3 . 26691 2
385 . 1 1 35 35 LYS HD2 H 1 1.52 0.005 . 2 . . . . 32 K HD . 26691 2
386 . 1 1 35 35 LYS HD3 H 1 1.52 0.005 . 2 . . . . 32 K HD . 26691 2
387 . 1 1 35 35 LYS HE2 H 1 2.782 0.004 . 2 . . . . 32 K HE . 26691 2
388 . 1 1 35 35 LYS HE3 H 1 2.782 0.004 . 2 . . . . 32 K HE . 26691 2
389 . 1 1 35 35 LYS C C 13 178.693 0.000 . 1 . . . . 32 K C . 26691 2
390 . 1 1 35 35 LYS CA C 13 59.083 0.029 . 1 . . . . 32 K CA . 26691 2
391 . 1 1 35 35 LYS CB C 13 32.41 0.056 . 1 . . . . 32 K CB . 26691 2
392 . 1 1 35 35 LYS CG C 13 25.583 0.030 . 1 . . . . 32 K CG . 26691 2
393 . 1 1 35 35 LYS CD C 13 29.219 0.029 . 1 . . . . 32 K CD . 26691 2
394 . 1 1 35 35 LYS CE C 13 41.991 0.044 . 1 . . . . 32 K CE . 26691 2
395 . 1 1 35 35 LYS N N 15 119.721 0.012 . 1 . . . . 32 K N . 26691 2
396 . 1 1 36 36 HIS H H 1 8.319 0.005 . 1 . . . . 33 H H . 26691 2
397 . 1 1 36 36 HIS HA H 1 4.135 0.009 . 1 . . . . 33 H HA . 26691 2
398 . 1 1 36 36 HIS HB2 H 1 3.029 0.003 . 2 . . . . 33 H HB . 26691 2
399 . 1 1 36 36 HIS HB3 H 1 3.029 0.003 . 2 . . . . 33 H HB . 26691 2
400 . 1 1 36 36 HIS HD2 H 1 7.042 0.000 . 1 . . . . 33 H HD2 . 26691 2
401 . 1 1 36 36 HIS HE1 H 1 7.892 0.000 . 1 . . . . 33 H HE1 . 26691 2
402 . 1 1 36 36 HIS C C 13 178.693 0.000 . 1 . . . . 33 H C . 26691 2
403 . 1 1 36 36 HIS CA C 13 58.307 0.046 . 1 . . . . 33 H CA . 26691 2
404 . 1 1 36 36 HIS CB C 13 27.045 0.000 . 1 . . . . 33 H CB . 26691 2
405 . 1 1 36 36 HIS CD2 C 13 120.507 0.000 . 1 . . . . 33 H CD2 . 26691 2
406 . 1 1 36 36 HIS CE1 C 13 140.881 0.000 . 1 . . . . 33 H CE1 . 26691 2
407 . 1 1 36 36 HIS N N 15 118.702 0.027 . 1 . . . . 33 H N . 26691 2
408 . 1 1 36 36 HIS ND1 N 15 192.608 0.000 . 1 . . . . 33 H ND1 . 26691 2
409 . 1 1 36 36 HIS NE2 N 15 180.044 0.000 . 1 . . . . 33 H NE2 . 26691 2
410 . 1 1 37 37 LYS HA H 1 3.442 0.004 . 1 . . . . 34 K HA . 26691 2
411 . 1 1 37 37 LYS HB2 H 1 1.743 0.007 . 2 . . . . 34 K HB . 26691 2
412 . 1 1 37 37 LYS HB3 H 1 1.743 0.007 . 2 . . . . 34 K HB . 26691 2
413 . 1 1 37 37 LYS HG2 H 1 1.499 0.006 . 2 . . . . 34 K HG . 26691 2
414 . 1 1 37 37 LYS HG3 H 1 1.499 0.006 . 2 . . . . 34 K HG . 26691 2
415 . 1 1 37 37 LYS HD2 H 1 1.512 0.006 . 2 . . . . 34 K HD . 26691 2
416 . 1 1 37 37 LYS HD3 H 1 1.512 0.006 . 2 . . . . 34 K HD . 26691 2
417 . 1 1 37 37 LYS HE2 H 1 2.777 0.007 . 2 . . . . 34 K HE . 26691 2
418 . 1 1 37 37 LYS HE3 H 1 2.777 0.007 . 2 . . . . 34 K HE . 26691 2
419 . 1 1 37 37 LYS CA C 13 60.14 0.039 . 1 . . . . 34 K CA . 26691 2
420 . 1 1 37 37 LYS CB C 13 32.026 0.001 . 1 . . . . 34 K CB . 26691 2
421 . 1 1 37 37 LYS CG C 13 25.567 0.029 . 1 . . . . 34 K CG . 26691 2
422 . 1 1 37 37 LYS CD C 13 29.624 0.015 . 1 . . . . 34 K CD . 26691 2
423 . 1 1 37 37 LYS CE C 13 41.894 0.028 . 1 . . . . 34 K CE . 26691 2
424 . 1 1 38 38 THR HA H 1 3.936 0.002 . 1 . . . . 35 T HA . 26691 2
425 . 1 1 38 38 THR HB H 1 4.006 0.005 . 1 . . . . 35 T HB . 26691 2
426 . 1 1 38 38 THR HG21 H 1 1.099 0.003 . 1 . . . . 35 T HG2 . 26691 2
427 . 1 1 38 38 THR HG22 H 1 1.099 0.003 . 1 . . . . 35 T HG2 . 26691 2
428 . 1 1 38 38 THR HG23 H 1 1.099 0.003 . 1 . . . . 35 T HG2 . 26691 2
429 . 1 1 38 38 THR CA C 13 64.19 0.032 . 1 . . . . 35 T CA . 26691 2
430 . 1 1 38 38 THR CB C 13 68.885 0.011 . 1 . . . . 35 T CB . 26691 2
431 . 1 1 38 38 THR CG2 C 13 21.867 0.035 . 1 . . . . 35 T CG2 . 26691 2
432 . 1 1 39 39 ARG HA H 1 3.865 0.003 . 1 . . . . 36 R HA . 26691 2
433 . 1 1 39 39 ARG HB2 H 1 1.702 0.002 . 2 . . . . 36 R HB . 26691 2
434 . 1 1 39 39 ARG HB3 H 1 1.702 0.002 . 2 . . . . 36 R HB . 26691 2
435 . 1 1 39 39 ARG HG2 H 1 1.677 0.003 . 1 . . . . 36 R HG2 . 26691 2
436 . 1 1 39 39 ARG HG3 H 1 1.492 0.004 . 1 . . . . 36 R HG3 . 26691 2
437 . 1 1 39 39 ARG HD2 H 1 3.175 0.003 . 1 . . . . 36 R HD2 . 26691 2
438 . 1 1 39 39 ARG HD3 H 1 2.829 0.004 . 1 . . . . 36 R HD3 . 26691 2
439 . 1 1 39 39 ARG C C 13 177.589 0.000 . 1 . . . . 36 R C . 26691 2
440 . 1 1 39 39 ARG CA C 13 58.985 0.059 . 1 . . . . 36 R CA . 26691 2
441 . 1 1 39 39 ARG CB C 13 31.269 0.010 . 1 . . . . 36 R CB . 26691 2
442 . 1 1 39 39 ARG CG C 13 25.71 0.047 . 1 . . . . 36 R CG . 26691 2
443 . 1 1 39 39 ARG CD C 13 43.654 0.081 . 1 . . . . 36 R CD . 26691 2
444 . 1 1 40 40 ASP H H 1 7.899 0.006 . 1 . . . . 37 D H . 26691 2
445 . 1 1 40 40 ASP C C 13 175.634 0.000 . 1 . . . . 37 D C . 26691 2
446 . 1 1 40 40 ASP CA C 13 53.842 0.000 . 1 . . . . 37 D CA . 26691 2
447 . 1 1 40 40 ASP CB C 13 40.092 0.000 . 1 . . . . 37 D CB . 26691 2
448 . 1 1 40 40 ASP N N 15 113.562 0.022 . 1 . . . . 37 D N . 26691 2
449 . 1 1 41 41 ASN H H 1 7.323 0.008 . 1 . . . . 38 N H . 26691 2
450 . 1 1 41 41 ASN HA H 1 4.164 0.004 . 1 . . . . 38 N HA . 26691 2
451 . 1 1 41 41 ASN HB2 H 1 2.93 0.008 . 1 . . . . 38 N HB2 . 26691 2
452 . 1 1 41 41 ASN HB3 H 1 2.509 0.007 . 1 . . . . 38 N HB3 . 26691 2
453 . 1 1 41 41 ASN HD21 H 1 7.415 0.006 . 1 . . . . 38 N HD21 . 26691 2
454 . 1 1 41 41 ASN HD22 H 1 6.646 0.006 . 1 . . . . 38 N HD22 . 26691 2
455 . 1 1 41 41 ASN C C 13 175.634 0.000 . 1 . . . . 38 N C . 26691 2
456 . 1 1 41 41 ASN CA C 13 53.859 0.036 . 1 . . . . 38 N CA . 26691 2
457 . 1 1 41 41 ASN CB C 13 36.826 0.035 . 1 . . . . 38 N CB . 26691 2
458 . 1 1 41 41 ASN N N 15 118.226 0.032 . 1 . . . . 38 N N . 26691 2
459 . 1 1 41 41 ASN ND2 N 15 112.228 0.022 . 1 . . . . 38 N ND2 . 26691 2
460 . 1 1 42 42 CYS H H 1 7.787 0.000 . 1 . . . . 39 C H . 26691 2
461 . 1 1 42 42 CYS HA H 1 4.389 0.004 . 1 . . . . 39 C HA . 26691 2
462 . 1 1 42 42 CYS HB2 H 1 2.314 0.013 . 1 . . . . 39 C HB2 . 26691 2
463 . 1 1 42 42 CYS HB3 H 1 2.086 0.011 . 1 . . . . 39 C HB3 . 26691 2
464 . 1 1 42 42 CYS C C 13 175.496 0.000 . 1 . . . . 39 C C . 26691 2
465 . 1 1 42 42 CYS CA C 13 57.896 0.066 . 1 . . . . 39 C CA . 26691 2
466 . 1 1 42 42 CYS CB C 13 30.839 0.048 . 1 . . . . 39 C CB . 26691 2
467 . 1 1 42 42 CYS N N 15 119.731 0.000 . 1 . . . . 39 C N . 26691 2
468 . 1 1 43 43 SER H H 1 8.471 0.004 . 1 . . . . 40 S H . 26691 2
469 . 1 1 43 43 SER HA H 1 4.128 0.003 . 1 . . . . 40 S HA . 26691 2
470 . 1 1 43 43 SER HB2 H 1 3.834 0.002 . 1 . . . . 40 S HB2 . 26691 2
471 . 1 1 43 43 SER HB3 H 1 3.748 0.004 . 1 . . . . 40 S HB3 . 26691 2
472 . 1 1 43 43 SER C C 13 175.496 0.000 . 1 . . . . 40 S C . 26691 2
473 . 1 1 43 43 SER CA C 13 58.958 0.057 . 1 . . . . 40 S CA . 26691 2
474 . 1 1 43 43 SER CB C 13 63.84 0.025 . 1 . . . . 40 S CB . 26691 2
475 . 1 1 43 43 SER N N 15 122.215 0.009 . 1 . . . . 40 S N . 26691 2
476 . 1 1 44 44 GLY HA2 H 1 3.972 0.003 . 1 . . . . 41 G HA2 . 26691 2
477 . 1 1 44 44 GLY HA3 H 1 3.808 0.005 . 1 . . . . 41 G HA3 . 26691 2
478 . 1 1 44 44 GLY C C 13 172.713 0.000 . 1 . . . . 41 G C . 26691 2
479 . 1 1 44 44 GLY CA C 13 45.664 0.016 . 1 . . . . 41 G CA . 26691 2
480 . 1 1 45 45 GLN H H 1 7.863 0.004 . 1 . . . . 42 Q H . 26691 2
481 . 1 1 45 45 GLN HB2 H 1 2.132 0.003 . 2 . . . . 42 Q HB . 26691 2
482 . 1 1 45 45 GLN HB3 H 1 2.132 0.003 . 2 . . . . 42 Q HB . 26691 2
483 . 1 1 45 45 GLN HE21 H 1 7.333 0.005 . 1 . . . . 42 Q HE21 . 26691 2
484 . 1 1 45 45 GLN HE22 H 1 6.721 0.006 . 1 . . . . 42 Q HE22 . 26691 2
485 . 1 1 45 45 GLN C C 13 175.504 0.000 . 1 . . . . 42 Q C . 26691 2
486 . 1 1 45 45 GLN CA C 13 54.674 0.006 . 1 . . . . 42 Q CA . 26691 2
487 . 1 1 45 45 GLN CB C 13 30.416 0.000 . 1 . . . . 42 Q CB . 26691 2
488 . 1 1 45 45 GLN N N 15 118.29 0.029 . 1 . . . . 42 Q N . 26691 2
489 . 1 1 45 45 GLN NE2 N 15 112.191 0.035 . 1 . . . . 42 Q NE2 . 26691 2
490 . 1 1 46 46 THR H H 1 8.324 0.002 . 1 . . . . 43 T H . 26691 2
491 . 1 1 46 46 THR HA H 1 4.027 0.016 . 1 . . . . 43 T HA . 26691 2
492 . 1 1 46 46 THR HB H 1 4.057 0.002 . 1 . . . . 43 T HB . 26691 2
493 . 1 1 46 46 THR HG21 H 1 0.976 0.005 . 1 . . . . 43 T HG2 . 26691 2
494 . 1 1 46 46 THR HG22 H 1 0.976 0.005 . 1 . . . . 43 T HG2 . 26691 2
495 . 1 1 46 46 THR HG23 H 1 0.976 0.005 . 1 . . . . 43 T HG2 . 26691 2
496 . 1 1 46 46 THR C C 13 173.951 0.000 . 1 . . . . 43 T C . 26691 2
497 . 1 1 46 46 THR CA C 13 62.111 0.025 . 1 . . . . 43 T CA . 26691 2
498 . 1 1 46 46 THR CB C 13 69.254 0.045 . 1 . . . . 43 T CB . 26691 2
499 . 1 1 46 46 THR CG2 C 13 21.701 0.045 . 1 . . . . 43 T CG2 . 26691 2
500 . 1 1 46 46 THR N N 15 114.477 0.017 . 1 . . . . 43 T N . 26691 2
501 . 1 1 47 47 HIS H H 1 7.933 0.002 . 1 . . . . 44 H H . 26691 2
502 . 1 1 47 47 HIS HA H 1 4.222 0.012 . 1 . . . . 44 H HA . 26691 2
503 . 1 1 47 47 HIS HB2 H 1 1.874 0.005 . 1 . . . . 44 H HB2 . 26691 2
504 . 1 1 47 47 HIS HB3 H 1 1.803 0.001 . 1 . . . . 44 H HB3 . 26691 2
505 . 1 1 47 47 HIS C C 13 173.525 0.000 . 1 . . . . 44 H C . 26691 2
506 . 1 1 47 47 HIS CA C 13 55.405 0.094 . 1 . . . . 44 H CA . 26691 2
507 . 1 1 47 47 HIS CB C 13 30.142 0.000 . 1 . . . . 44 H CB . 26691 2
508 . 1 1 47 47 HIS N N 15 119.454 0.007 . 1 . . . . 44 H N . 26691 2
509 . 1 1 48 48 ASP H H 1 8.127 0.005 . 1 . . . . 45 D H . 26691 2
510 . 1 1 48 48 ASP HA H 1 4.525 0.000 . 1 . . . . 45 D HA . 26691 2
511 . 1 1 48 48 ASP C C 13 173.525 0.000 . 1 . . . . 45 D C . 26691 2
512 . 1 1 48 48 ASP CA C 13 55.873 0.000 . 1 . . . . 45 D CA . 26691 2
513 . 1 1 48 48 ASP N N 15 127.048 0.023 . 1 . . . . 45 D N . 26691 2
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