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 30784
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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-1H TOCSY' . . . 30784 1
2 '2D 1H-1H NOESY' . . . 30784 1
3 '2D 1H-15N HSQC' . . . 30784 1
4 '2D 1H-13C HSQC aliphatic' . . . 30784 1
5 '2D 1H-1H ECOSY' . . . 30784 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 ALA HA H 1 4.096 0.001 . 1 . . . . A 1 ALA HA . 30784 1
2 . 1 . 1 1 1 ALA HB1 H 1 1.476 0.004 . . . . . . A 1 ALA HB1 . 30784 1
3 . 1 . 1 1 1 ALA HB2 H 1 1.476 0.004 . . . . . . A 1 ALA HB2 . 30784 1
4 . 1 . 1 1 1 ALA HB3 H 1 1.476 0.004 . . . . . . A 1 ALA HB3 . 30784 1
5 . 1 . 1 1 1 ALA CA C 13 51.537 0.000 . 1 . . . . A 1 ALA CA . 30784 1
6 . 1 . 1 1 1 ALA CB C 13 19.407 0.000 . 1 . . . . A 1 ALA CB . 30784 1
7 . 1 . 1 2 2 LYS H H 1 8.581 0.002 . 1 . . . . A 2 LYS H . 30784 1
8 . 1 . 1 2 2 LYS HA H 1 4.361 0.004 . 1 . . . . A 2 LYS HA . 30784 1
9 . 1 . 1 2 2 LYS HB2 H 1 1.744 0.002 . 2 . . . . A 2 LYS HB2 . 30784 1
10 . 1 . 1 2 2 LYS HB3 H 1 1.795 0.008 . 2 . . . . A 2 LYS HB3 . 30784 1
11 . 1 . 1 2 2 LYS HG2 H 1 1.418 0.004 . 2 . . . . A 2 LYS HG2 . 30784 1
12 . 1 . 1 2 2 LYS HG3 H 1 1.428 0.015 . 2 . . . . A 2 LYS HG3 . 30784 1
13 . 1 . 1 2 2 LYS HD2 H 1 1.697 0.009 . 2 . . . . A 2 LYS HD2 . 30784 1
14 . 1 . 1 2 2 LYS HD3 H 1 1.697 0.009 . 2 . . . . A 2 LYS HD3 . 30784 1
15 . 1 . 1 2 2 LYS HE2 H 1 3.000 0.000 . 2 . . . . A 2 LYS HE2 . 30784 1
16 . 1 . 1 2 2 LYS HE3 H 1 3.000 0.000 . 2 . . . . A 2 LYS HE3 . 30784 1
17 . 1 . 1 2 2 LYS CA C 13 56.467 0.000 . 1 . . . . A 2 LYS CA . 30784 1
18 . 1 . 1 2 2 LYS CB C 13 33.804 0.030 . 1 . . . . A 2 LYS CB . 30784 1
19 . 1 . 1 2 2 LYS CG C 13 25.036 0.000 . 1 . . . . A 2 LYS CG . 30784 1
20 . 1 . 1 2 2 LYS CD C 13 29.124 0.000 . 1 . . . . A 2 LYS CD . 30784 1
21 . 1 . 1 2 2 LYS N N 15 121.187 0.000 . 1 . . . . A 2 LYS N . 30784 1
22 . 1 . 1 3 3 HIS H H 1 8.631 0.003 . 1 . . . . A 3 HIS H . 30784 1
23 . 1 . 1 3 3 HIS HA H 1 5.274 0.002 . 1 . . . . A 3 HIS HA . 30784 1
24 . 1 . 1 3 3 HIS HB2 H 1 3.206 0.004 . 2 . . . . A 3 HIS HB2 . 30784 1
25 . 1 . 1 3 3 HIS HB3 H 1 3.206 0.004 . 2 . . . . A 3 HIS HB3 . 30784 1
26 . 1 . 1 3 3 HIS HD2 H 1 6.927 0.003 . 1 . . . . A 3 HIS HD2 . 30784 1
27 . 1 . 1 3 3 HIS HE1 H 1 8.553 0.000 . 1 . . . . A 3 HIS HE1 . 30784 1
28 . 1 . 1 3 3 HIS CA C 13 55.516 0.000 . 1 . . . . A 3 HIS CA . 30784 1
29 . 1 . 1 3 3 HIS CB C 13 31.407 0.000 . 1 . . . . A 3 HIS CB . 30784 1
30 . 1 . 1 3 3 HIS N N 15 119.111 0.000 . 1 . . . . A 3 HIS N . 30784 1
31 . 1 . 1 4 4 CYS H H 1 9.196 0.001 . 1 . . . . A 4 CYS H . 30784 1
32 . 1 . 1 4 4 CYS HA H 1 5.068 0.010 . 1 . . . . A 4 CYS HA . 30784 1
33 . 1 . 1 4 4 CYS HB2 H 1 3.012 0.005 . 2 . . . . A 4 CYS HB2 . 30784 1
34 . 1 . 1 4 4 CYS HB3 H 1 3.221 0.006 . 2 . . . . A 4 CYS HB3 . 30784 1
35 . 1 . 1 4 4 CYS CA C 13 58.609 0.000 . 1 . . . . A 4 CYS CA . 30784 1
36 . 1 . 1 4 4 CYS CB C 13 40.545 0.026 . 1 . . . . A 4 CYS CB . 30784 1
37 . 1 . 1 4 4 CYS N N 15 121.063 0.000 . 1 . . . . A 4 CYS N . 30784 1
38 . 1 . 1 5 5 GLY H H 1 8.913 0.001 . 1 . . . . A 5 GLY H . 30784 1
39 . 1 . 1 5 5 GLY HA2 H 1 2.876 0.004 . 2 . . . . A 5 GLY HA2 . 30784 1
40 . 1 . 1 5 5 GLY HA3 H 1 4.209 0.006 . 2 . . . . A 5 GLY HA3 . 30784 1
41 . 1 . 1 5 5 GLY CA C 13 44.566 0.007 . 1 . . . . A 5 GLY CA . 30784 1
42 . 1 . 1 5 5 GLY N N 15 112.952 0.000 . 1 . . . . A 5 GLY N . 30784 1
43 . 1 . 1 6 6 LYS H H 1 9.046 0.001 . 1 . . . . A 6 LYS H . 30784 1
44 . 1 . 1 6 6 LYS HA H 1 4.659 0.002 . 1 . . . . A 6 LYS HA . 30784 1
45 . 1 . 1 6 6 LYS HB2 H 1 1.756 0.005 . 2 . . . . A 6 LYS HB2 . 30784 1
46 . 1 . 1 6 6 LYS HB3 H 1 1.878 0.007 . 2 . . . . A 6 LYS HB3 . 30784 1
47 . 1 . 1 6 6 LYS HG2 H 1 1.388 0.004 . 2 . . . . A 6 LYS HG2 . 30784 1
48 . 1 . 1 6 6 LYS HG3 H 1 1.388 0.004 . 2 . . . . A 6 LYS HG3 . 30784 1
49 . 1 . 1 6 6 LYS HD2 H 1 1.537 0.001 . 2 . . . . A 6 LYS HD2 . 30784 1
50 . 1 . 1 6 6 LYS HD3 H 1 1.613 0.003 . 2 . . . . A 6 LYS HD3 . 30784 1
51 . 1 . 1 6 6 LYS HE2 H 1 2.806 0.000 . 2 . . . . A 6 LYS HE2 . 30784 1
52 . 1 . 1 6 6 LYS HE3 H 1 2.806 0.000 . 2 . . . . A 6 LYS HE3 . 30784 1
53 . 1 . 1 6 6 LYS CA C 13 54.635 0.000 . 1 . . . . A 6 LYS CA . 30784 1
54 . 1 . 1 6 6 LYS CB C 13 36.082 0.002 . 1 . . . . A 6 LYS CB . 30784 1
55 . 1 . 1 6 6 LYS CG C 13 24.286 0.000 . 1 . . . . A 6 LYS CG . 30784 1
56 . 1 . 1 6 6 LYS CD C 13 29.084 0.008 . 1 . . . . A 6 LYS CD . 30784 1
57 . 1 . 1 6 6 LYS N N 15 116.706 0.000 . 1 . . . . A 6 LYS N . 30784 1
58 . 1 . 1 7 7 HIS H H 1 8.990 0.004 . 1 . . . . A 7 HIS H . 30784 1
59 . 1 . 1 7 7 HIS HA H 1 3.541 0.005 . 1 . . . . A 7 HIS HA . 30784 1
60 . 1 . 1 7 7 HIS HB2 H 1 2.908 0.004 . 2 . . . . A 7 HIS HB2 . 30784 1
61 . 1 . 1 7 7 HIS HB3 H 1 2.980 0.007 . 2 . . . . A 7 HIS HB3 . 30784 1
62 . 1 . 1 7 7 HIS HD2 H 1 7.180 0.000 . 1 . . . . A 7 HIS HD2 . 30784 1
63 . 1 . 1 7 7 HIS HE1 H 1 8.648 0.000 . 1 . . . . A 7 HIS HE1 . 30784 1
64 . 1 . 1 7 7 HIS CA C 13 56.310 0.000 . 1 . . . . A 7 HIS CA . 30784 1
65 . 1 . 1 7 7 HIS CB C 13 28.259 0.000 . 1 . . . . A 7 HIS CB . 30784 1
66 . 1 . 1 7 7 HIS N N 15 130.943 0.000 . 1 . . . . A 7 HIS N . 30784 1
67 . 1 . 1 8 8 SER H H 1 8.566 0.002 . 1 . . . . A 8 SER H . 30784 1
68 . 1 . 1 8 8 SER HA H 1 4.630 0.004 . 1 . . . . A 8 SER HA . 30784 1
69 . 1 . 1 8 8 SER HB2 H 1 3.578 0.008 . 2 . . . . A 8 SER HB2 . 30784 1
70 . 1 . 1 8 8 SER HB3 H 1 3.939 0.009 . 2 . . . . A 8 SER HB3 . 30784 1
71 . 1 . 1 8 8 SER CA C 13 57.824 0.000 . 1 . . . . A 8 SER CA . 30784 1
72 . 1 . 1 8 8 SER CB C 13 63.454 0.008 . 1 . . . . A 8 SER CB . 30784 1
73 . 1 . 1 9 9 LYS H H 1 7.261 0.004 . 1 . . . . A 9 LYS H . 30784 1
74 . 1 . 1 9 9 LYS HA H 1 4.268 0.005 . 1 . . . . A 9 LYS HA . 30784 1
75 . 1 . 1 9 9 LYS HB2 H 1 1.789 0.000 . 2 . . . . A 9 LYS HB2 . 30784 1
76 . 1 . 1 9 9 LYS HB3 H 1 1.789 0.000 . 2 . . . . A 9 LYS HB3 . 30784 1
77 . 1 . 1 10 10 SER H H 1 8.261 0.002 . 1 . . . . A 10 SER H . 30784 1
78 . 1 . 1 10 10 SER HA H 1 4.610 0.005 . 1 . . . . A 10 SER HA . 30784 1
79 . 1 . 1 10 10 SER HB2 H 1 3.818 0.004 . 2 . . . . A 10 SER HB2 . 30784 1
80 . 1 . 1 10 10 SER HB3 H 1 4.155 0.015 . 2 . . . . A 10 SER HB3 . 30784 1
81 . 1 . 1 10 10 SER N N 15 111.893 0.000 . 1 . . . . A 10 SER N . 30784 1
82 . 1 . 1 11 11 TRP H H 1 8.328 0.001 . 1 . . . . A 11 TRP H . 30784 1
83 . 1 . 1 11 11 TRP HA H 1 3.445 0.007 . 1 . . . . A 11 TRP HA . 30784 1
84 . 1 . 1 11 11 TRP HB2 H 1 2.881 0.008 . 2 . . . . A 11 TRP HB2 . 30784 1
85 . 1 . 1 11 11 TRP HB3 H 1 2.881 0.008 . 2 . . . . A 11 TRP HB3 . 30784 1
86 . 1 . 1 11 11 TRP HD1 H 1 7.001 0.000 . 1 . . . . A 11 TRP HD1 . 30784 1
87 . 1 . 1 11 11 TRP HE1 H 1 9.053 0.001 . 1 . . . . A 11 TRP HE1 . 30784 1
88 . 1 . 1 11 11 TRP CA C 13 58.415 0.000 . 1 . . . . A 11 TRP CA . 30784 1
89 . 1 . 1 11 11 TRP CB C 13 28.424 0.000 . 1 . . . . A 11 TRP CB . 30784 1
90 . 1 . 1 11 11 TRP N N 15 124.822 0.000 . 1 . . . . A 11 TRP N . 30784 1
91 . 1 . 1 12 12 ASN HA H 1 4.640 0.002 . 1 . . . . A 12 ASN HA . 30784 1
92 . 1 . 1 12 12 ASN HB2 H 1 2.342 0.012 . 2 . . . . A 12 ASN HB2 . 30784 1
93 . 1 . 1 12 12 ASN HB3 H 1 2.379 0.011 . 2 . . . . A 12 ASN HB3 . 30784 1
94 . 1 . 1 12 12 ASN HD21 H 1 7.369 0.006 . 2 . . . . A 12 ASN HD21 . 30784 1
95 . 1 . 1 12 12 ASN HD22 H 1 6.766 0.007 . 2 . . . . A 12 ASN HD22 . 30784 1
96 . 1 . 1 12 12 ASN CA C 13 52.247 0.000 . 1 . . . . A 12 ASN CA . 30784 1
97 . 1 . 1 12 12 ASN CB C 13 41.526 0.000 . 1 . . . . A 12 ASN CB . 30784 1
98 . 1 . 1 12 12 ASN ND2 N 15 113.205 0.005 . 1 . . . . A 12 ASN ND2 . 30784 1
99 . 1 . 1 13 13 GLY H H 1 8.175 0.004 . 1 . . . . A 13 GLY H . 30784 1
100 . 1 . 1 13 13 GLY HA2 H 1 3.733 0.003 . 2 . . . . A 13 GLY HA2 . 30784 1
101 . 1 . 1 13 13 GLY HA3 H 1 4.064 0.002 . 2 . . . . A 13 GLY HA3 . 30784 1
102 . 1 . 1 13 13 GLY CA C 13 43.873 0.000 . 1 . . . . A 13 GLY CA . 30784 1
103 . 1 . 1 13 13 GLY N N 15 109.282 0.000 . 1 . . . . A 13 GLY N . 30784 1
104 . 1 . 1 14 14 LYS H H 1 8.408 0.002 . 1 . . . . A 14 LYS H . 30784 1
105 . 1 . 1 14 14 LYS HA H 1 4.204 0.002 . 1 . . . . A 14 LYS HA . 30784 1
106 . 1 . 1 14 14 LYS HB2 H 1 1.671 0.011 . 2 . . . . A 14 LYS HB2 . 30784 1
107 . 1 . 1 14 14 LYS HB3 H 1 1.779 0.002 . 2 . . . . A 14 LYS HB3 . 30784 1
108 . 1 . 1 14 14 LYS HG2 H 1 1.150 0.009 . 2 . . . . A 14 LYS HG2 . 30784 1
109 . 1 . 1 14 14 LYS HG3 H 1 1.359 0.002 . 2 . . . . A 14 LYS HG3 . 30784 1
110 . 1 . 1 14 14 LYS HE2 H 1 2.944 0.002 . 2 . . . . A 14 LYS HE2 . 30784 1
111 . 1 . 1 14 14 LYS HE3 H 1 2.944 0.002 . 2 . . . . A 14 LYS HE3 . 30784 1
112 . 1 . 1 14 14 LYS CB C 13 32.682 0.062 . 1 . . . . A 14 LYS CB . 30784 1
113 . 1 . 1 14 14 LYS CG C 13 24.853 0.009 . 1 . . . . A 14 LYS CG . 30784 1
114 . 1 . 1 14 14 LYS N N 15 121.492 0.000 . 1 . . . . A 14 LYS N . 30784 1
115 . 1 . 1 15 15 CYS H H 1 8.506 0.005 . 1 . . . . A 15 CYS H . 30784 1
116 . 1 . 1 15 15 CYS HA H 1 4.243 0.006 . 1 . . . . A 15 CYS HA . 30784 1
117 . 1 . 1 15 15 CYS HB2 H 1 2.460 0.006 . 2 . . . . A 15 CYS HB2 . 30784 1
118 . 1 . 1 15 15 CYS HB3 H 1 2.626 0.010 . 2 . . . . A 15 CYS HB3 . 30784 1
119 . 1 . 1 15 15 CYS CA C 13 56.830 0.000 . 1 . . . . A 15 CYS CA . 30784 1
120 . 1 . 1 15 15 CYS CB C 13 39.252 0.036 . 1 . . . . A 15 CYS CB . 30784 1
121 . 1 . 1 15 15 CYS N N 15 123.656 0.000 . 1 . . . . A 15 CYS N . 30784 1
122 . 1 . 1 16 16 PHE H H 1 6.725 0.009 . 1 . . . . A 16 PHE H . 30784 1
123 . 1 . 1 16 16 PHE HA H 1 4.912 0.007 . 1 . . . . A 16 PHE HA . 30784 1
124 . 1 . 1 16 16 PHE HB2 H 1 2.773 0.003 . 2 . . . . A 16 PHE HB2 . 30784 1
125 . 1 . 1 16 16 PHE HB3 H 1 3.560 0.005 . 2 . . . . A 16 PHE HB3 . 30784 1
126 . 1 . 1 16 16 PHE HD1 H 1 7.415 0.000 . 3 . . . . A 16 PHE HD1 . 30784 1
127 . 1 . 1 16 16 PHE HD2 H 1 7.415 0.000 . 3 . . . . A 16 PHE HD2 . 30784 1
128 . 1 . 1 16 16 PHE HE1 H 1 7.387 0.000 . 3 . . . . A 16 PHE HE1 . 30784 1
129 . 1 . 1 16 16 PHE HE2 H 1 7.387 0.000 . 3 . . . . A 16 PHE HE2 . 30784 1
130 . 1 . 1 16 16 PHE CA C 13 57.162 0.000 . 1 . . . . A 16 PHE CA . 30784 1
131 . 1 . 1 16 16 PHE CB C 13 42.631 0.004 . 1 . . . . A 16 PHE CB . 30784 1
132 . 1 . 1 16 16 PHE N N 15 114.702 0.000 . 1 . . . . A 16 PHE N . 30784 1
133 . 1 . 1 17 17 HIS HA H 1 4.137 0.005 . 1 . . . . A 17 HIS HA . 30784 1
134 . 1 . 1 17 17 HIS HB2 H 1 3.388 0.009 . 2 . . . . A 17 HIS HB2 . 30784 1
135 . 1 . 1 17 17 HIS HB3 H 1 3.464 0.002 . 2 . . . . A 17 HIS HB3 . 30784 1
136 . 1 . 1 17 17 HIS HD2 H 1 7.264 0.001 . 1 . . . . A 17 HIS HD2 . 30784 1
137 . 1 . 1 17 17 HIS HE1 H 1 8.630 0.000 . 1 . . . . A 17 HIS HE1 . 30784 1
138 . 1 . 1 17 17 HIS CA C 13 61.111 0.000 . 1 . . . . A 17 HIS CA . 30784 1
139 . 1 . 1 17 17 HIS CB C 13 30.021 0.018 . 1 . . . . A 17 HIS CB . 30784 1
140 . 1 . 1 18 18 LYS H H 1 9.223 0.003 . 1 . . . . A 18 LYS H . 30784 1
141 . 1 . 1 18 18 LYS HA H 1 4.059 0.005 . 1 . . . . A 18 LYS HA . 30784 1
142 . 1 . 1 18 18 LYS HB2 H 1 1.932 0.000 . 2 . . . . A 18 LYS HB2 . 30784 1
143 . 1 . 1 18 18 LYS HB3 H 1 2.016 0.002 . 2 . . . . A 18 LYS HB3 . 30784 1
144 . 1 . 1 18 18 LYS HG2 H 1 1.471 0.011 . 2 . . . . A 18 LYS HG2 . 30784 1
145 . 1 . 1 18 18 LYS HG3 H 1 1.631 0.011 . 2 . . . . A 18 LYS HG3 . 30784 1
146 . 1 . 1 18 18 LYS HD2 H 1 1.771 0.005 . 2 . . . . A 18 LYS HD2 . 30784 1
147 . 1 . 1 18 18 LYS HD3 H 1 1.771 0.005 . 2 . . . . A 18 LYS HD3 . 30784 1
148 . 1 . 1 18 18 LYS HE2 H 1 3.048 0.000 . 2 . . . . A 18 LYS HE2 . 30784 1
149 . 1 . 1 18 18 LYS HE3 H 1 3.048 0.000 . 2 . . . . A 18 LYS HE3 . 30784 1
150 . 1 . 1 18 18 LYS CA C 13 60.427 0.000 . 1 . . . . A 18 LYS CA . 30784 1
151 . 1 . 1 18 18 LYS CB C 13 32.193 0.020 . 1 . . . . A 18 LYS CB . 30784 1
152 . 1 . 1 18 18 LYS CG C 13 25.658 0.027 . 1 . . . . A 18 LYS CG . 30784 1
153 . 1 . 1 18 18 LYS CD C 13 29.430 0.000 . 1 . . . . A 18 LYS CD . 30784 1
154 . 1 . 1 18 18 LYS N N 15 119.362 0.000 . 1 . . . . A 18 LYS N . 30784 1
155 . 1 . 1 19 19 LYS H H 1 7.256 0.005 . 1 . . . . A 19 LYS H . 30784 1
156 . 1 . 1 19 19 LYS HA H 1 4.381 0.006 . 1 . . . . A 19 LYS HA . 30784 1
157 . 1 . 1 19 19 LYS HB2 H 1 2.007 0.013 . 2 . . . . A 19 LYS HB2 . 30784 1
158 . 1 . 1 19 19 LYS HB3 H 1 2.170 0.002 . 2 . . . . A 19 LYS HB3 . 30784 1
159 . 1 . 1 19 19 LYS HG2 H 1 1.580 0.004 . 2 . . . . A 19 LYS HG2 . 30784 1
160 . 1 . 1 19 19 LYS HG3 H 1 1.766 0.011 . 2 . . . . A 19 LYS HG3 . 30784 1
161 . 1 . 1 19 19 LYS HD2 H 1 1.855 0.000 . 2 . . . . A 19 LYS HD2 . 30784 1
162 . 1 . 1 19 19 LYS HD3 H 1 1.855 0.000 . 2 . . . . A 19 LYS HD3 . 30784 1
163 . 1 . 1 19 19 LYS HE2 H 1 2.872 0.000 . 2 . . . . A 19 LYS HE2 . 30784 1
164 . 1 . 1 19 19 LYS HE3 H 1 2.927 0.000 . 2 . . . . A 19 LYS HE3 . 30784 1
165 . 1 . 1 19 19 LYS CA C 13 59.423 0.000 . 1 . . . . A 19 LYS CA . 30784 1
166 . 1 . 1 19 19 LYS CB C 13 34.032 0.002 . 1 . . . . A 19 LYS CB . 30784 1
167 . 1 . 1 19 19 LYS CG C 13 25.853 0.004 . 1 . . . . A 19 LYS CG . 30784 1
168 . 1 . 1 19 19 LYS CD C 13 29.598 0.000 . 1 . . . . A 19 LYS CD . 30784 1
169 . 1 . 1 19 19 LYS N N 15 118.169 0.000 . 1 . . . . A 19 LYS N . 30784 1
170 . 1 . 1 20 20 CYS H H 1 8.359 0.003 . 1 . . . . A 20 CYS H . 30784 1
171 . 1 . 1 20 20 CYS HA H 1 4.246 0.006 . 1 . . . . A 20 CYS HA . 30784 1
172 . 1 . 1 20 20 CYS HB2 H 1 2.379 0.003 . 2 . . . . A 20 CYS HB2 . 30784 1
173 . 1 . 1 20 20 CYS HB3 H 1 2.379 0.003 . 2 . . . . A 20 CYS HB3 . 30784 1
174 . 1 . 1 20 20 CYS N N 15 119.533 0.000 . 1 . . . . A 20 CYS N . 30784 1
175 . 1 . 1 21 21 ASN H H 1 8.602 0.003 . 1 . . . . A 21 ASN H . 30784 1
176 . 1 . 1 21 21 ASN HA H 1 4.103 0.006 . 1 . . . . A 21 ASN HA . 30784 1
177 . 1 . 1 21 21 ASN HB2 H 1 2.847 0.005 . 2 . . . . A 21 ASN HB2 . 30784 1
178 . 1 . 1 21 21 ASN HB3 H 1 2.847 0.005 . 2 . . . . A 21 ASN HB3 . 30784 1
179 . 1 . 1 21 21 ASN HD21 H 1 7.781 0.006 . 2 . . . . A 21 ASN HD21 . 30784 1
180 . 1 . 1 21 21 ASN HD22 H 1 6.700 0.011 . 2 . . . . A 21 ASN HD22 . 30784 1
181 . 1 . 1 21 21 ASN CA C 13 57.970 0.000 . 1 . . . . A 21 ASN CA . 30784 1
182 . 1 . 1 21 21 ASN CB C 13 39.166 0.000 . 1 . . . . A 21 ASN CB . 30784 1
183 . 1 . 1 21 21 ASN N N 15 118.096 0.000 . 1 . . . . A 21 ASN N . 30784 1
184 . 1 . 1 21 21 ASN ND2 N 15 113.730 0.018 . 1 . . . . A 21 ASN ND2 . 30784 1
185 . 1 . 1 22 22 HIS H H 1 8.108 0.004 . 1 . . . . A 22 HIS H . 30784 1
186 . 1 . 1 22 22 HIS HA H 1 4.338 0.002 . 1 . . . . A 22 HIS HA . 30784 1
187 . 1 . 1 22 22 HIS HB2 H 1 3.459 0.003 . 2 . . . . A 22 HIS HB2 . 30784 1
188 . 1 . 1 22 22 HIS HB3 H 1 3.459 0.003 . 2 . . . . A 22 HIS HB3 . 30784 1
189 . 1 . 1 22 22 HIS HD2 H 1 7.501 0.002 . 1 . . . . A 22 HIS HD2 . 30784 1
190 . 1 . 1 22 22 HIS HE1 H 1 8.671 0.000 . 1 . . . . A 22 HIS HE1 . 30784 1
191 . 1 . 1 22 22 HIS CA C 13 55.659 0.000 . 1 . . . . A 22 HIS CA . 30784 1
192 . 1 . 1 22 22 HIS CB C 13 28.555 0.000 . 1 . . . . A 22 HIS CB . 30784 1
193 . 1 . 1 22 22 HIS N N 15 115.106 0.000 . 1 . . . . A 22 HIS N . 30784 1
194 . 1 . 1 23 23 TRP H H 1 8.851 0.002 . 1 . . . . A 23 TRP H . 30784 1
195 . 1 . 1 23 23 TRP HA H 1 4.222 0.002 . 1 . . . . A 23 TRP HA . 30784 1
196 . 1 . 1 23 23 TRP HB2 H 1 3.727 0.005 . 2 . . . . A 23 TRP HB2 . 30784 1
197 . 1 . 1 23 23 TRP HB3 H 1 3.869 0.007 . 2 . . . . A 23 TRP HB3 . 30784 1
198 . 1 . 1 23 23 TRP HD1 H 1 7.270 0.001 . 1 . . . . A 23 TRP HD1 . 30784 1
199 . 1 . 1 23 23 TRP HE1 H 1 10.445 0.004 . 1 . . . . A 23 TRP HE1 . 30784 1
200 . 1 . 1 23 23 TRP CB C 13 29.608 0.001 . 1 . . . . A 23 TRP CB . 30784 1
201 . 1 . 1 23 23 TRP N N 15 121.578 0.000 . 1 . . . . A 23 TRP N . 30784 1
202 . 1 . 1 24 24 CYS H H 1 9.045 0.003 . 1 . . . . A 24 CYS H . 30784 1
203 . 1 . 1 24 24 CYS HA H 1 4.195 0.001 . 1 . . . . A 24 CYS HA . 30784 1
204 . 1 . 1 24 24 CYS HB2 H 1 2.453 0.005 . 2 . . . . A 24 CYS HB2 . 30784 1
205 . 1 . 1 24 24 CYS HB3 H 1 2.719 0.003 . 2 . . . . A 24 CYS HB3 . 30784 1
206 . 1 . 1 24 24 CYS CB C 13 35.538 0.010 . 1 . . . . A 24 CYS CB . 30784 1
207 . 1 . 1 24 24 CYS N N 15 121.487 0.000 . 1 . . . . A 24 CYS N . 30784 1
208 . 1 . 1 25 25 MET H H 1 7.919 0.004 . 1 . . . . A 25 MET H . 30784 1
209 . 1 . 1 25 25 MET HA H 1 4.256 0.002 . 1 . . . . A 25 MET HA . 30784 1
210 . 1 . 1 25 25 MET HB2 H 1 2.202 0.004 . 2 . . . . A 25 MET HB2 . 30784 1
211 . 1 . 1 25 25 MET HB3 H 1 2.201 0.004 . 2 . . . . A 25 MET HB3 . 30784 1
212 . 1 . 1 25 25 MET HG2 H 1 2.635 0.001 . 2 . . . . A 25 MET HG2 . 30784 1
213 . 1 . 1 25 25 MET HG3 H 1 2.635 0.001 . 2 . . . . A 25 MET HG3 . 30784 1
214 . 1 . 1 25 25 MET CA C 13 59.298 0.000 . 1 . . . . A 25 MET CA . 30784 1
215 . 1 . 1 25 25 MET CB C 13 31.343 0.000 . 1 . . . . A 25 MET CB . 30784 1
216 . 1 . 1 25 25 MET CG C 13 31.370 0.000 . 1 . . . . A 25 MET CG . 30784 1
217 . 1 . 1 25 25 MET N N 15 117.407 0.000 . 1 . . . . A 25 MET N . 30784 1
218 . 1 . 1 26 26 GLU H H 1 8.526 0.001 . 1 . . . . A 26 GLU H . 30784 1
219 . 1 . 1 26 26 GLU HA H 1 4.164 0.003 . 1 . . . . A 26 GLU HA . 30784 1
220 . 1 . 1 26 26 GLU HB2 H 1 1.878 0.002 . 2 . . . . A 26 GLU HB2 . 30784 1
221 . 1 . 1 26 26 GLU HB3 H 1 1.878 0.002 . 2 . . . . A 26 GLU HB3 . 30784 1
222 . 1 . 1 26 26 GLU HG2 H 1 2.243 0.007 . 2 . . . . A 26 GLU HG2 . 30784 1
223 . 1 . 1 26 26 GLU HG3 H 1 2.295 0.003 . 2 . . . . A 26 GLU HG3 . 30784 1
224 . 1 . 1 26 26 GLU CA C 13 58.229 0.000 . 1 . . . . A 26 GLU CA . 30784 1
225 . 1 . 1 26 26 GLU CB C 13 30.014 0.000 . 1 . . . . A 26 GLU CB . 30784 1
226 . 1 . 1 26 26 GLU CG C 13 35.657 0.011 . 1 . . . . A 26 GLU CG . 30784 1
227 . 1 . 1 26 26 GLU N N 15 116.148 0.000 . 1 . . . . A 26 GLU N . 30784 1
228 . 1 . 1 27 27 LYS H H 1 8.582 0.004 . 1 . . . . A 27 LYS H . 30784 1
229 . 1 . 1 27 27 LYS HA H 1 4.336 0.006 . 1 . . . . A 27 LYS HA . 30784 1
230 . 1 . 1 27 27 LYS HB2 H 1 1.090 0.001 . 2 . . . . A 27 LYS HB2 . 30784 1
231 . 1 . 1 27 27 LYS HB3 H 1 1.234 0.002 . 2 . . . . A 27 LYS HB3 . 30784 1
232 . 1 . 1 27 27 LYS HG2 H 1 0.109 0.003 . 2 . . . . A 27 LYS HG2 . 30784 1
233 . 1 . 1 27 27 LYS HG3 H 1 0.706 0.015 . 2 . . . . A 27 LYS HG3 . 30784 1
234 . 1 . 1 27 27 LYS HD2 H 1 0.898 0.003 . 2 . . . . A 27 LYS HD2 . 30784 1
235 . 1 . 1 27 27 LYS HD3 H 1 1.091 0.001 . 2 . . . . A 27 LYS HD3 . 30784 1
236 . 1 . 1 27 27 LYS HE2 H 1 2.496 0.001 . 2 . . . . A 27 LYS HE2 . 30784 1
237 . 1 . 1 27 27 LYS HE3 H 1 2.496 0.001 . 2 . . . . A 27 LYS HE3 . 30784 1
238 . 1 . 1 27 27 LYS CA C 13 59.718 0.000 . 1 . . . . A 27 LYS CA . 30784 1
239 . 1 . 1 27 27 LYS CB C 13 32.328 0.012 . 1 . . . . A 27 LYS CB . 30784 1
240 . 1 . 1 27 27 LYS CG C 13 23.921 0.003 . 1 . . . . A 27 LYS CG . 30784 1
241 . 1 . 1 27 27 LYS CD C 13 27.552 0.008 . 1 . . . . A 27 LYS CD . 30784 1
242 . 1 . 1 27 27 LYS CE C 13 41.787 0.021 . 1 . . . . A 27 LYS CE . 30784 1
243 . 1 . 1 27 27 LYS N N 15 115.073 0.000 . 1 . . . . A 27 LYS N . 30784 1
244 . 1 . 1 28 28 GLU H H 1 6.727 0.002 . 1 . . . . A 28 GLU H . 30784 1
245 . 1 . 1 28 28 GLU HA H 1 4.835 0.005 . 1 . . . . A 28 GLU HA . 30784 1
246 . 1 . 1 28 28 GLU HB2 H 1 2.303 0.011 . 2 . . . . A 28 GLU HB2 . 30784 1
247 . 1 . 1 28 28 GLU HB3 H 1 2.598 0.010 . 2 . . . . A 28 GLU HB3 . 30784 1
248 . 1 . 1 28 28 GLU HG2 H 1 1.985 0.000 . 2 . . . . A 28 GLU HG2 . 30784 1
249 . 1 . 1 28 28 GLU HG3 H 1 2.155 0.000 . 2 . . . . A 28 GLU HG3 . 30784 1
250 . 1 . 1 28 28 GLU CA C 13 55.560 0.000 . 1 . . . . A 28 GLU CA . 30784 1
251 . 1 . 1 28 28 GLU CB C 13 29.580 0.041 . 1 . . . . A 28 GLU CB . 30784 1
252 . 1 . 1 28 28 GLU CG C 13 34.363 0.000 . 1 . . . . A 28 GLU CG . 30784 1
253 . 1 . 1 29 29 ASP H H 1 7.934 0.001 . 1 . . . . A 29 ASP H . 30784 1
254 . 1 . 1 29 29 ASP HA H 1 4.539 0.002 . 1 . . . . A 29 ASP HA . 30784 1
255 . 1 . 1 29 29 ASP HB2 H 1 2.772 0.000 . 2 . . . . A 29 ASP HB2 . 30784 1
256 . 1 . 1 29 29 ASP HB3 H 1 3.237 0.001 . 2 . . . . A 29 ASP HB3 . 30784 1
257 . 1 . 1 29 29 ASP CA C 13 55.077 0.000 . 1 . . . . A 29 ASP CA . 30784 1
258 . 1 . 1 29 29 ASP CB C 13 38.208 0.033 . 1 . . . . A 29 ASP CB . 30784 1
259 . 1 . 1 30 30 ALA H H 1 7.912 0.003 . 1 . . . . A 30 ALA H . 30784 1
260 . 1 . 1 30 30 ALA HA H 1 4.170 0.003 . 1 . . . . A 30 ALA HA . 30784 1
261 . 1 . 1 30 30 ALA HB1 H 1 0.800 0.005 . . . . . . A 30 ALA HB1 . 30784 1
262 . 1 . 1 30 30 ALA HB2 H 1 0.800 0.005 . . . . . . A 30 ALA HB2 . 30784 1
263 . 1 . 1 30 30 ALA HB3 H 1 0.800 0.005 . . . . . . A 30 ALA HB3 . 30784 1
264 . 1 . 1 30 30 ALA CA C 13 50.740 0.000 . 1 . . . . A 30 ALA CA . 30784 1
265 . 1 . 1 30 30 ALA CB C 13 21.603 0.000 . 1 . . . . A 30 ALA CB . 30784 1
266 . 1 . 1 30 30 ALA N N 15 119.609 0.000 . 1 . . . . A 30 ALA N . 30784 1
267 . 1 . 1 31 31 LYS H H 1 8.301 0.003 . 1 . . . . A 31 LYS H . 30784 1
268 . 1 . 1 31 31 LYS HA H 1 4.235 0.002 . 1 . . . . A 31 LYS HA . 30784 1
269 . 1 . 1 31 31 LYS HB2 H 1 1.634 0.001 . 2 . . . . A 31 LYS HB2 . 30784 1
270 . 1 . 1 31 31 LYS HB3 H 1 1.901 0.003 . 2 . . . . A 31 LYS HB3 . 30784 1
271 . 1 . 1 31 31 LYS HG2 H 1 1.621 0.011 . 2 . . . . A 31 LYS HG2 . 30784 1
272 . 1 . 1 31 31 LYS HG3 H 1 1.621 0.011 . 2 . . . . A 31 LYS HG3 . 30784 1
273 . 1 . 1 31 31 LYS HD2 H 1 1.743 0.002 . 2 . . . . A 31 LYS HD2 . 30784 1
274 . 1 . 1 31 31 LYS HD3 H 1 1.743 0.002 . 2 . . . . A 31 LYS HD3 . 30784 1
275 . 1 . 1 31 31 LYS HE2 H 1 3.099 0.000 . 2 . . . . A 31 LYS HE2 . 30784 1
276 . 1 . 1 31 31 LYS HE3 H 1 3.099 0.000 . 2 . . . . A 31 LYS HE3 . 30784 1
277 . 1 . 1 31 31 LYS CA C 13 59.069 0.000 . 1 . . . . A 31 LYS CA . 30784 1
278 . 1 . 1 31 31 LYS CB C 13 32.378 0.012 . 1 . . . . A 31 LYS CB . 30784 1
279 . 1 . 1 31 31 LYS CG C 13 24.508 0.000 . 1 . . . . A 31 LYS CG . 30784 1
280 . 1 . 1 31 31 LYS CD C 13 28.002 0.000 . 1 . . . . A 31 LYS CD . 30784 1
281 . 1 . 1 31 31 LYS N N 15 117.289 0.000 . 1 . . . . A 31 LYS N . 30784 1
282 . 1 . 1 32 32 TYR H H 1 7.215 0.005 . 1 . . . . A 32 TYR H . 30784 1
283 . 1 . 1 32 32 TYR HA H 1 4.761 0.005 . 1 . . . . A 32 TYR HA . 30784 1
284 . 1 . 1 32 32 TYR HB2 H 1 3.209 0.006 . 2 . . . . A 32 TYR HB2 . 30784 1
285 . 1 . 1 32 32 TYR HB3 H 1 3.487 0.002 . 2 . . . . A 32 TYR HB3 . 30784 1
286 . 1 . 1 32 32 TYR HD1 H 1 6.511 0.001 . 3 . . . . A 32 TYR HD1 . 30784 1
287 . 1 . 1 32 32 TYR HD2 H 1 6.511 0.001 . 3 . . . . A 32 TYR HD2 . 30784 1
288 . 1 . 1 32 32 TYR HE1 H 1 5.775 0.008 . 3 . . . . A 32 TYR HE1 . 30784 1
289 . 1 . 1 32 32 TYR HE2 H 1 5.775 0.008 . 3 . . . . A 32 TYR HE2 . 30784 1
290 . 1 . 1 32 32 TYR CA C 13 56.701 0.000 . 1 . . . . A 32 TYR CA . 30784 1
291 . 1 . 1 32 32 TYR CB C 13 38.304 0.053 . 1 . . . . A 32 TYR CB . 30784 1
292 . 1 . 1 32 32 TYR N N 15 107.845 0.000 . 1 . . . . A 32 TYR N . 30784 1
293 . 1 . 1 33 33 GLY H H 1 9.753 0.003 . 1 . . . . A 33 GLY H . 30784 1
294 . 1 . 1 33 33 GLY HA2 H 1 3.925 0.013 . 2 . . . . A 33 GLY HA2 . 30784 1
295 . 1 . 1 33 33 GLY HA3 H 1 5.680 0.010 . 2 . . . . A 33 GLY HA3 . 30784 1
296 . 1 . 1 33 33 GLY CA C 13 45.763 0.009 . 1 . . . . A 33 GLY CA . 30784 1
297 . 1 . 1 33 33 GLY N N 15 108.203 0.000 . 1 . . . . A 33 GLY N . 30784 1
298 . 1 . 1 34 34 SER H H 1 9.463 0.002 . 1 . . . . A 34 SER H . 30784 1
299 . 1 . 1 34 34 SER HA H 1 4.483 0.006 . 1 . . . . A 34 SER HA . 30784 1
300 . 1 . 1 34 34 SER HB2 H 1 3.872 0.003 . 2 . . . . A 34 SER HB2 . 30784 1
301 . 1 . 1 34 34 SER HB3 H 1 3.872 0.003 . 2 . . . . A 34 SER HB3 . 30784 1
302 . 1 . 1 34 34 SER CA C 13 57.899 0.000 . 1 . . . . A 34 SER CA . 30784 1
303 . 1 . 1 34 34 SER CB C 13 65.228 0.000 . 1 . . . . A 34 SER CB . 30784 1
304 . 1 . 1 35 35 CYS H H 1 8.980 0.006 . 1 . . . . A 35 CYS H . 30784 1
305 . 1 . 1 35 35 CYS HA H 1 5.587 0.003 . 1 . . . . A 35 CYS HA . 30784 1
306 . 1 . 1 35 35 CYS HB2 H 1 2.772 0.013 . 2 . . . . A 35 CYS HB2 . 30784 1
307 . 1 . 1 35 35 CYS HB3 H 1 2.936 0.012 . 2 . . . . A 35 CYS HB3 . 30784 1
308 . 1 . 1 35 35 CYS CA C 13 53.670 0.000 . 1 . . . . A 35 CYS CA . 30784 1
309 . 1 . 1 35 35 CYS CB C 13 40.878 0.013 . 1 . . . . A 35 CYS CB . 30784 1
310 . 1 . 1 35 35 CYS N N 15 121.896 0.000 . 1 . . . . A 35 CYS N . 30784 1
311 . 1 . 1 36 36 SER H H 1 9.465 0.001 . 1 . . . . A 36 SER H . 30784 1
312 . 1 . 1 36 36 SER HA H 1 4.498 0.006 . 1 . . . . A 36 SER HA . 30784 1
313 . 1 . 1 36 36 SER HB2 H 1 3.467 0.010 . 2 . . . . A 36 SER HB2 . 30784 1
314 . 1 . 1 36 36 SER HB3 H 1 3.467 0.010 . 2 . . . . A 36 SER HB3 . 30784 1
315 . 1 . 1 36 36 SER CA C 13 57.982 0.000 . 1 . . . . A 36 SER CA . 30784 1
316 . 1 . 1 36 36 SER CB C 13 64.270 0.000 . 1 . . . . A 36 SER CB . 30784 1
317 . 1 . 1 37 37 HIS H H 1 9.396 0.001 . 1 . . . . A 37 HIS H . 30784 1
318 . 1 . 1 37 37 HIS HA H 1 4.281 0.004 . 1 . . . . A 37 HIS HA . 30784 1
319 . 1 . 1 37 37 HIS HB2 H 1 3.392 0.007 . 2 . . . . A 37 HIS HB2 . 30784 1
320 . 1 . 1 37 37 HIS HB3 H 1 3.451 0.005 . 2 . . . . A 37 HIS HB3 . 30784 1
321 . 1 . 1 37 37 HIS HD2 H 1 7.290 0.015 . 1 . . . . A 37 HIS HD2 . 30784 1
322 . 1 . 1 37 37 HIS HE1 H 1 8.570 0.000 . 1 . . . . A 37 HIS HE1 . 30784 1
323 . 1 . 1 37 37 HIS CB C 13 27.027 0.003 . 1 . . . . A 37 HIS CB . 30784 1
324 . 1 . 1 37 37 HIS N N 15 124.610 0.000 . 1 . . . . A 37 HIS N . 30784 1
325 . 1 . 1 38 38 GLY H H 1 8.786 0.002 . 1 . . . . A 38 GLY H . 30784 1
326 . 1 . 1 38 38 GLY HA2 H 1 3.690 0.004 . 2 . . . . A 38 GLY HA2 . 30784 1
327 . 1 . 1 38 38 GLY HA3 H 1 4.285 0.004 . 2 . . . . A 38 GLY HA3 . 30784 1
328 . 1 . 1 38 38 GLY CA C 13 45.309 0.000 . 1 . . . . A 38 GLY CA . 30784 1
329 . 1 . 1 38 38 GLY N N 15 104.260 0.000 . 1 . . . . A 38 GLY N . 30784 1
330 . 1 . 1 39 39 ASP H H 1 8.074 0.004 . 1 . . . . A 39 ASP H . 30784 1
331 . 1 . 1 39 39 ASP HA H 1 5.008 0.006 . 1 . . . . A 39 ASP HA . 30784 1
332 . 1 . 1 39 39 ASP HB2 H 1 2.295 0.004 . 2 . . . . A 39 ASP HB2 . 30784 1
333 . 1 . 1 39 39 ASP HB3 H 1 2.757 0.006 . 2 . . . . A 39 ASP HB3 . 30784 1
334 . 1 . 1 39 39 ASP CA C 13 52.350 0.000 . 1 . . . . A 39 ASP CA . 30784 1
335 . 1 . 1 39 39 ASP CB C 13 43.401 0.003 . 1 . . . . A 39 ASP CB . 30784 1
336 . 1 . 1 39 39 ASP N N 15 120.889 0.000 . 1 . . . . A 39 ASP N . 30784 1
337 . 1 . 1 40 40 CYS H H 1 8.660 0.003 . 1 . . . . A 40 CYS H . 30784 1
338 . 1 . 1 40 40 CYS HA H 1 4.699 0.013 . 1 . . . . A 40 CYS HA . 30784 1
339 . 1 . 1 40 40 CYS HB2 H 1 1.750 0.000 . 2 . . . . A 40 CYS HB2 . 30784 1
340 . 1 . 1 40 40 CYS HB3 H 1 2.057 0.003 . 2 . . . . A 40 CYS HB3 . 30784 1
341 . 1 . 1 40 40 CYS CA C 13 54.802 0.000 . 1 . . . . A 40 CYS CA . 30784 1
342 . 1 . 1 40 40 CYS N N 15 116.953 0.000 . 1 . . . . A 40 CYS N . 30784 1
343 . 1 . 1 41 41 TYR H H 1 8.994 0.004 . 1 . . . . A 41 TYR H . 30784 1
344 . 1 . 1 41 41 TYR HA H 1 4.633 0.008 . 1 . . . . A 41 TYR HA . 30784 1
345 . 1 . 1 41 41 TYR HB2 H 1 2.099 0.005 . 2 . . . . A 41 TYR HB2 . 30784 1
346 . 1 . 1 41 41 TYR HB3 H 1 3.087 0.008 . 2 . . . . A 41 TYR HB3 . 30784 1
347 . 1 . 1 41 41 TYR HD1 H 1 6.742 0.000 . 3 . . . . A 41 TYR HD1 . 30784 1
348 . 1 . 1 41 41 TYR HD2 H 1 6.742 0.000 . 3 . . . . A 41 TYR HD2 . 30784 1
349 . 1 . 1 41 41 TYR HE1 H 1 6.668 0.001 . 3 . . . . A 41 TYR HE1 . 30784 1
350 . 1 . 1 41 41 TYR HE2 H 1 6.668 0.001 . 3 . . . . A 41 TYR HE2 . 30784 1
351 . 1 . 1 41 41 TYR CB C 13 41.282 0.011 . 1 . . . . A 41 TYR CB . 30784 1
352 . 1 . 1 41 41 TYR N N 15 123.110 0.000 . 1 . . . . A 41 TYR N . 30784 1
353 . 1 . 1 42 42 CYS H H 1 8.653 0.005 . 1 . . . . A 42 CYS H . 30784 1
354 . 1 . 1 42 42 CYS HA H 1 5.232 0.003 . 1 . . . . A 42 CYS HA . 30784 1
355 . 1 . 1 42 42 CYS HB2 H 1 2.726 0.008 . 2 . . . . A 42 CYS HB2 . 30784 1
356 . 1 . 1 42 42 CYS HB3 H 1 2.843 0.010 . 2 . . . . A 42 CYS HB3 . 30784 1
357 . 1 . 1 42 42 CYS CA C 13 50.631 0.000 . 1 . . . . A 42 CYS CA . 30784 1
358 . 1 . 1 42 42 CYS CB C 13 37.120 0.014 . 1 . . . . A 42 CYS CB . 30784 1
359 . 1 . 1 42 42 CYS N N 15 120.042 0.000 . 1 . . . . A 42 CYS N . 30784 1
360 . 1 . 1 43 43 TYR H H 1 8.470 0.003 . 1 . . . . A 43 TYR H . 30784 1
361 . 1 . 1 43 43 TYR HA H 1 4.832 0.012 . 1 . . . . A 43 TYR HA . 30784 1
362 . 1 . 1 43 43 TYR HB2 H 1 1.008 0.002 . 2 . . . . A 43 TYR HB2 . 30784 1
363 . 1 . 1 43 43 TYR HB3 H 1 1.966 0.006 . 2 . . . . A 43 TYR HB3 . 30784 1
364 . 1 . 1 43 43 TYR HD1 H 1 6.563 0.003 . 3 . . . . A 43 TYR HD1 . 30784 1
365 . 1 . 1 43 43 TYR HD2 H 1 6.563 0.003 . 3 . . . . A 43 TYR HD2 . 30784 1
366 . 1 . 1 43 43 TYR HE1 H 1 6.663 0.000 . 3 . . . . A 43 TYR HE1 . 30784 1
367 . 1 . 1 43 43 TYR HE2 H 1 6.663 0.000 . 3 . . . . A 43 TYR HE2 . 30784 1
368 . 1 . 1 43 43 TYR CA C 13 58.115 0.000 . 1 . . . . A 43 TYR CA . 30784 1
369 . 1 . 1 43 43 TYR CB C 13 40.350 0.021 . 1 . . . . A 43 TYR CB . 30784 1
370 . 1 . 1 43 43 TYR N N 15 119.985 0.000 . 1 . . . . A 43 TYR N . 30784 1
371 . 1 . 1 44 44 TYR H H 1 8.365 0.002 . 1 . . . . A 44 TYR H . 30784 1
372 . 1 . 1 44 44 TYR HA H 1 4.705 0.007 . 1 . . . . A 44 TYR HA . 30784 1
373 . 1 . 1 44 44 TYR HB2 H 1 2.676 0.002 . 2 . . . . A 44 TYR HB2 . 30784 1
374 . 1 . 1 44 44 TYR HB3 H 1 3.368 0.005 . 2 . . . . A 44 TYR HB3 . 30784 1
375 . 1 . 1 44 44 TYR HD1 H 1 7.209 0.002 . 3 . . . . A 44 TYR HD1 . 30784 1
376 . 1 . 1 44 44 TYR HD2 H 1 7.209 0.002 . 3 . . . . A 44 TYR HD2 . 30784 1
377 . 1 . 1 44 44 TYR HE1 H 1 6.686 0.003 . 3 . . . . A 44 TYR HE1 . 30784 1
378 . 1 . 1 44 44 TYR HE2 H 1 6.686 0.003 . 3 . . . . A 44 TYR HE2 . 30784 1
379 . 1 . 1 44 44 TYR CA C 13 57.029 0.000 . 1 . . . . A 44 TYR CA . 30784 1
380 . 1 . 1 44 44 TYR CB C 13 42.439 0.002 . 1 . . . . A 44 TYR CB . 30784 1
381 . 1 . 1 44 44 TYR N N 15 119.543 0.000 . 1 . . . . A 44 TYR N . 30784 1
382 . 1 . 1 45 45 HIS H H 1 9.326 0.002 . 1 . . . . A 45 HIS H . 30784 1
383 . 1 . 1 45 45 HIS HA H 1 4.757 0.005 . 1 . . . . A 45 HIS HA . 30784 1
384 . 1 . 1 45 45 HIS HB2 H 1 3.384 0.001 . 2 . . . . A 45 HIS HB2 . 30784 1
385 . 1 . 1 45 45 HIS HB3 H 1 3.384 0.001 . 2 . . . . A 45 HIS HB3 . 30784 1
386 . 1 . 1 45 45 HIS HD2 H 1 7.433 0.002 . 1 . . . . A 45 HIS HD2 . 30784 1
387 . 1 . 1 45 45 HIS HE1 H 1 8.649 0.000 . 1 . . . . A 45 HIS HE1 . 30784 1
388 . 1 . 1 45 45 HIS CA C 13 56.648 0.000 . 1 . . . . A 45 HIS CA . 30784 1
389 . 1 . 1 45 45 HIS CB C 13 28.522 0.000 . 1 . . . . A 45 HIS CB . 30784 1
390 . 1 . 1 45 45 HIS N N 15 120.419 0.000 . 1 . . . . A 45 HIS N . 30784 1
391 . 1 . 1 46 46 CYS H H 1 8.149 0.003 . 1 . . . . A 46 CYS H . 30784 1
392 . 1 . 1 46 46 CYS HA H 1 4.505 0.002 . 1 . . . . A 46 CYS HA . 30784 1
393 . 1 . 1 46 46 CYS HB2 H 1 3.126 0.004 . 2 . . . . A 46 CYS HB2 . 30784 1
394 . 1 . 1 46 46 CYS HB3 H 1 3.389 0.007 . 2 . . . . A 46 CYS HB3 . 30784 1
395 . 1 . 1 46 46 CYS CA C 13 56.794 0.000 . 1 . . . . A 46 CYS CA . 30784 1
396 . 1 . 1 46 46 CYS CB C 13 43.137 0.020 . 1 . . . . A 46 CYS CB . 30784 1
397 . 1 . 1 46 46 CYS N N 15 128.070 0.000 . 1 . . . . A 46 CYS N . 30784 1
stop_
save_