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 30372
_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' . . . 30372 1
2 '2D 1H-1H ECOSY' . . . 30372 1
3 '2D 1H-13C HSQC aliphatic' . . . 30372 1
4 '2D 1H-15N HSQC' . . . 30372 1
5 '2D 1H-1H NOESY' . . . 30372 1
6 '2D 1H-1H NOESY' . . . 30372 1
7 '2D 1H-1H TOCSY' . . . 30372 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 GLU HA H 1 4.065 0.003 . 1 . . . . A 1 GLU HA . 30372 1
2 . 1 . 1 1 1 GLU HB2 H 1 2.047 0.001 . 2 . . . . A 1 GLU HB2 . 30372 1
3 . 1 . 1 1 1 GLU HB3 H 1 2.050 0.003 . 2 . . . . A 1 GLU HB3 . 30372 1
4 . 1 . 1 1 1 GLU HG2 H 1 2.408 0.007 . 2 . . . . A 1 GLU HG2 . 30372 1
5 . 1 . 1 1 1 GLU HG3 H 1 2.282 0.006 . 2 . . . . A 1 GLU HG3 . 30372 1
6 . 1 . 1 1 1 GLU CA C 13 55.694 0.000 . 1 . . . . A 1 GLU CA . 30372 1
7 . 1 . 1 1 1 GLU CB C 13 30.462 0.000 . 1 . . . . A 1 GLU CB . 30372 1
8 . 1 . 1 1 1 GLU CG C 13 35.813 0.004 . 1 . . . . A 1 GLU CG . 30372 1
9 . 1 . 1 2 2 GLU H H 1 8.868 0.001 . 1 . . . . A 2 GLU H . 30372 1
10 . 1 . 1 2 2 GLU HA H 1 5.520 0.002 . 1 . . . . A 2 GLU HA . 30372 1
11 . 1 . 1 2 2 GLU HB2 H 1 1.944 0.003 . 2 . . . . A 2 GLU HB2 . 30372 1
12 . 1 . 1 2 2 GLU HB3 H 1 1.787 0.003 . 2 . . . . A 2 GLU HB3 . 30372 1
13 . 1 . 1 2 2 GLU HG2 H 1 2.102 0.007 . 2 . . . . A 2 GLU HG2 . 30372 1
14 . 1 . 1 2 2 GLU HG3 H 1 2.029 0.003 . 2 . . . . A 2 GLU HG3 . 30372 1
15 . 1 . 1 2 2 GLU CB C 13 33.473 0.000 . 1 . . . . A 2 GLU CB . 30372 1
16 . 1 . 1 2 2 GLU CG C 13 35.763 0.000 . 1 . . . . A 2 GLU CG . 30372 1
17 . 1 . 1 2 2 GLU N N 15 122.721 0.000 . 1 . . . . A 2 GLU N . 30372 1
18 . 1 . 1 3 3 THR H H 1 8.800 0.001 . 1 . . . . A 3 THR H . 30372 1
19 . 1 . 1 3 3 THR HA H 1 4.596 0.003 . 1 . . . . A 3 THR HA . 30372 1
20 . 1 . 1 3 3 THR HB H 1 3.941 0.004 . 1 . . . . A 3 THR HB . 30372 1
21 . 1 . 1 3 3 THR HG21 H 1 1.026 0.001 . 1 . . . . A 3 THR HG21 . 30372 1
22 . 1 . 1 3 3 THR HG22 H 1 1.026 0.001 . 1 . . . . A 3 THR HG22 . 30372 1
23 . 1 . 1 3 3 THR HG23 H 1 1.026 0.001 . 1 . . . . A 3 THR HG23 . 30372 1
24 . 1 . 1 3 3 THR CA C 13 60.089 0.000 . 1 . . . . A 3 THR CA . 30372 1
25 . 1 . 1 3 3 THR CB C 13 70.670 0.014 . 1 . . . . A 3 THR CB . 30372 1
26 . 1 . 1 3 3 THR CG2 C 13 20.842 0.000 . 1 . . . . A 3 THR CG2 . 30372 1
27 . 1 . 1 3 3 THR N N 15 116.169 0.000 . 1 . . . . A 3 THR N . 30372 1
28 . 1 . 1 4 4 GLU H H 1 8.039 0.002 . 1 . . . . A 4 GLU H . 30372 1
29 . 1 . 1 4 4 GLU HA H 1 5.325 0.002 . 1 . . . . A 4 GLU HA . 30372 1
30 . 1 . 1 4 4 GLU HB2 H 1 1.726 0.001 . 2 . . . . A 4 GLU HB2 . 30372 1
31 . 1 . 1 4 4 GLU HB3 H 1 1.506 0.002 . 2 . . . . A 4 GLU HB3 . 30372 1
32 . 1 . 1 4 4 GLU HG2 H 1 1.226 0.000 . 2 . . . . A 4 GLU HG2 . 30372 1
33 . 1 . 1 4 4 GLU HG3 H 1 1.226 0.000 . 2 . . . . A 4 GLU HG3 . 30372 1
34 . 1 . 1 4 4 GLU CA C 13 54.299 0.000 . 1 . . . . A 4 GLU CA . 30372 1
35 . 1 . 1 4 4 GLU N N 15 122.878 0.000 . 1 . . . . A 4 GLU N . 30372 1
36 . 1 . 1 5 5 GLU H H 1 8.286 0.003 . 1 . . . . A 5 GLU H . 30372 1
37 . 1 . 1 5 5 GLU HA H 1 4.830 0.006 . 1 . . . . A 5 GLU HA . 30372 1
38 . 1 . 1 5 5 GLU HB2 H 1 1.586 0.000 . 2 . . . . A 5 GLU HB2 . 30372 1
39 . 1 . 1 5 5 GLU HB3 H 1 1.032 0.004 . 2 . . . . A 5 GLU HB3 . 30372 1
40 . 1 . 1 5 5 GLU HG2 H 1 1.828 0.006 . 2 . . . . A 5 GLU HG2 . 30372 1
41 . 1 . 1 5 5 GLU HG3 H 1 1.720 0.000 . 2 . . . . A 5 GLU HG3 . 30372 1
42 . 1 . 1 5 5 GLU N N 15 122.628 0.000 . 1 . . . . A 5 GLU N . 30372 1
43 . 1 . 1 6 6 PRO HA H 1 5.908 0.003 . 1 . . . . A 6 PRO HA . 30372 1
44 . 1 . 1 6 6 PRO HB2 H 1 2.336 0.002 . 2 . . . . A 6 PRO HB2 . 30372 1
45 . 1 . 1 6 6 PRO HB3 H 1 2.147 0.007 . 2 . . . . A 6 PRO HB3 . 30372 1
46 . 1 . 1 6 6 PRO HG2 H 1 2.26 0.000 . 2 . . . . A 6 PRO HG2 . 30372 1
47 . 1 . 1 6 6 PRO HG3 H 1 2.26 0.000 . 2 . . . . A 6 PRO HG3 . 30372 1
48 . 1 . 1 6 6 PRO HD2 H 1 3.919 0.003 . 2 . . . . A 6 PRO HD2 . 30372 1
49 . 1 . 1 6 6 PRO HD3 H 1 3.732 0.004 . 2 . . . . A 6 PRO HD3 . 30372 1
50 . 1 . 1 6 6 PRO CA C 13 61.566 0.000 . 1 . . . . A 6 PRO CA . 30372 1
51 . 1 . 1 6 6 PRO CB C 13 33.558 0.046 . 1 . . . . A 6 PRO CB . 30372 1
52 . 1 . 1 6 6 PRO CG C 13 29.600 0.000 . 1 . . . . A 6 PRO CG . 30372 1
53 . 1 . 1 6 6 PRO CD C 13 50.402 0.014 . 1 . . . . A 6 PRO CD . 30372 1
54 . 1 . 1 7 7 ILE H H 1 9.384 0.002 . 1 . . . . A 7 ILE H . 30372 1
55 . 1 . 1 7 7 ILE HA H 1 4.883 0.003 . 1 . . . . A 7 ILE HA . 30372 1
56 . 1 . 1 7 7 ILE HB H 1 1.998 0.001 . 1 . . . . A 7 ILE HB . 30372 1
57 . 1 . 1 7 7 ILE HG12 H 1 1.549 0.003 . 1 . . . . A 7 ILE HG12 . 30372 1
58 . 1 . 1 7 7 ILE HG13 H 1 1.212 0.002 . 1 . . . . A 7 ILE HG13 . 30372 1
59 . 1 . 1 7 7 ILE HG21 H 1 0.956 0.004 . 1 . . . . A 7 ILE HG21 . 30372 1
60 . 1 . 1 7 7 ILE HG22 H 1 0.956 0.004 . 1 . . . . A 7 ILE HG22 . 30372 1
61 . 1 . 1 7 7 ILE HG23 H 1 0.956 0.004 . 1 . . . . A 7 ILE HG23 . 30372 1
62 . 1 . 1 7 7 ILE HD11 H 1 0.823 0.001 . 1 . . . . A 7 ILE HD11 . 30372 1
63 . 1 . 1 7 7 ILE HD12 H 1 0.823 0.001 . 1 . . . . A 7 ILE HD12 . 30372 1
64 . 1 . 1 7 7 ILE HD13 H 1 0.823 0.001 . 1 . . . . A 7 ILE HD13 . 30372 1
65 . 1 . 1 7 7 ILE CA C 13 58.851 0.000 . 1 . . . . A 7 ILE CA . 30372 1
66 . 1 . 1 7 7 ILE CB C 13 42.804 0.023 . 1 . . . . A 7 ILE CB . 30372 1
67 . 1 . 1 7 7 ILE CG1 C 13 27.594 0.007 . 1 . . . . A 7 ILE CG1 . 30372 1
68 . 1 . 1 7 7 ILE CG2 C 13 14.384 0.000 . 1 . . . . A 7 ILE CG2 . 30372 1
69 . 1 . 1 7 7 ILE CD1 C 13 19.395 0.000 . 1 . . . . A 7 ILE CD1 . 30372 1
70 . 1 . 1 8 8 ARG H H 1 8.227 0.001 . 1 . . . . A 8 ARG H . 30372 1
71 . 1 . 1 8 8 ARG HA H 1 4.081 0.003 . 1 . . . . A 8 ARG HA . 30372 1
72 . 1 . 1 8 8 ARG HB2 H 1 1.541 0.001 . 2 . . . . A 8 ARG HB2 . 30372 1
73 . 1 . 1 8 8 ARG HB3 H 1 1.390 0.001 . 2 . . . . A 8 ARG HB3 . 30372 1
74 . 1 . 1 8 8 ARG HG2 H 1 1.300 0.000 . 2 . . . . A 8 ARG HG2 . 30372 1
75 . 1 . 1 8 8 ARG HG3 H 1 1.300 0.000 . 2 . . . . A 8 ARG HG3 . 30372 1
76 . 1 . 1 8 8 ARG HD2 H 1 2.916 0.000 . 2 . . . . A 8 ARG HD2 . 30372 1
77 . 1 . 1 8 8 ARG HD3 H 1 2.916 0.000 . 2 . . . . A 8 ARG HD3 . 30372 1
78 . 1 . 1 8 8 ARG HE H 1 7.036 0.001 . 1 . . . . A 8 ARG HE . 30372 1
79 . 1 . 1 8 8 ARG CA C 13 55.469 0.000 . 1 . . . . A 8 ARG CA . 30372 1
80 . 1 . 1 8 8 ARG CB C 13 30.794 0.006 . 1 . . . . A 8 ARG CB . 30372 1
81 . 1 . 1 8 8 ARG CD C 13 42.880 0.000 . 1 . . . . A 8 ARG CD . 30372 1
82 . 1 . 1 8 8 ARG N N 15 126.762 0.000 . 1 . . . . A 8 ARG N . 30372 1
83 . 1 . 1 9 9 HIS H H 1 9.162 0.003 . 1 . . . . A 9 HIS H . 30372 1
84 . 1 . 1 9 9 HIS HA H 1 4.304 0.002 . 1 . . . . A 9 HIS HA . 30372 1
85 . 1 . 1 9 9 HIS HB2 H 1 2.988 0.007 . 2 . . . . A 9 HIS HB2 . 30372 1
86 . 1 . 1 9 9 HIS HB3 H 1 2.503 0.002 . 2 . . . . A 9 HIS HB3 . 30372 1
87 . 1 . 1 9 9 HIS HD2 H 1 6.657 0.003 . 1 . . . . A 9 HIS HD2 . 30372 1
88 . 1 . 1 9 9 HIS HE1 H 1 7.586 0.002 . 1 . . . . A 9 HIS HE1 . 30372 1
89 . 1 . 1 9 9 HIS CB C 13 35.186 0.032 . 1 . . . . A 9 HIS CB . 30372 1
90 . 1 . 1 9 9 HIS CD2 C 13 116.659 0.000 . 1 . . . . A 9 HIS CD2 . 30372 1
91 . 1 . 1 9 9 HIS CE1 C 13 136.934 0.000 . 1 . . . . A 9 HIS CE1 . 30372 1
92 . 1 . 1 9 9 HIS N N 15 129.165 0.000 . 1 . . . . A 9 HIS N . 30372 1
93 . 1 . 1 10 10 ALA H H 1 7.561 0.002 . 1 . . . . A 10 ALA H . 30372 1
94 . 1 . 1 10 10 ALA HA H 1 4.024 0.002 . 1 . . . . A 10 ALA HA . 30372 1
95 . 1 . 1 10 10 ALA HB1 H 1 1.273 0.001 . 1 . . . . A 10 ALA HB1 . 30372 1
96 . 1 . 1 10 10 ALA HB2 H 1 1.273 0.001 . 1 . . . . A 10 ALA HB2 . 30372 1
97 . 1 . 1 10 10 ALA HB3 H 1 1.273 0.001 . 1 . . . . A 10 ALA HB3 . 30372 1
98 . 1 . 1 10 10 ALA CA C 13 53.974 0.000 . 1 . . . . A 10 ALA CA . 30372 1
99 . 1 . 1 10 10 ALA CB C 13 19.350 0.001 . 1 . . . . A 10 ALA CB . 30372 1
100 . 1 . 1 10 10 ALA N N 15 126.502 0.000 . 1 . . . . A 10 ALA N . 30372 1
101 . 1 . 1 11 11 LYS H H 1 11.246 0.003 . 1 . . . . A 11 LYS H . 30372 1
102 . 1 . 1 11 11 LYS HA H 1 4.339 0.004 . 1 . . . . A 11 LYS HA . 30372 1
103 . 1 . 1 11 11 LYS HB2 H 1 1.668 0.000 . 2 . . . . A 11 LYS HB2 . 30372 1
104 . 1 . 1 11 11 LYS HB3 H 1 1.585 0.000 . 2 . . . . A 11 LYS HB3 . 30372 1
105 . 1 . 1 11 11 LYS HG2 H 1 1.375 0.000 . 2 . . . . A 11 LYS HG2 . 30372 1
106 . 1 . 1 11 11 LYS HG3 H 1 1.375 0.000 . 2 . . . . A 11 LYS HG3 . 30372 1
107 . 1 . 1 11 11 LYS HD2 H 1 2.917 0.000 . 2 . . . . A 11 LYS HD2 . 30372 1
108 . 1 . 1 11 11 LYS HD3 H 1 2.917 0.000 . 2 . . . . A 11 LYS HD3 . 30372 1
109 . 1 . 1 11 11 LYS N N 15 121.421 0.000 . 1 . . . . A 11 LYS N . 30372 1
110 . 1 . 1 12 12 LYS H H 1 7.938 0.001 . 1 . . . . A 12 LYS H . 30372 1
111 . 1 . 1 12 12 LYS HA H 1 2.135 0.003 . 1 . . . . A 12 LYS HA . 30372 1
112 . 1 . 1 12 12 LYS HB2 H 1 1.268 0.000 . 2 . . . . A 12 LYS HB2 . 30372 1
113 . 1 . 1 12 12 LYS HB3 H 1 1.268 0.000 . 2 . . . . A 12 LYS HB3 . 30372 1
114 . 1 . 1 12 12 LYS HG2 H 1 0.947 0.002 . 2 . . . . A 12 LYS HG2 . 30372 1
115 . 1 . 1 12 12 LYS HG3 H 1 0.515 0.002 . 2 . . . . A 12 LYS HG3 . 30372 1
116 . 1 . 1 12 12 LYS HD2 H 1 1.567 0.000 . 2 . . . . A 12 LYS HD2 . 30372 1
117 . 1 . 1 12 12 LYS HD3 H 1 1.501 0.000 . 2 . . . . A 12 LYS HD3 . 30372 1
118 . 1 . 1 12 12 LYS HE2 H 1 2.888 0.000 . 2 . . . . A 12 LYS HE2 . 30372 1
119 . 1 . 1 12 12 LYS HE3 H 1 2.888 0.000 . 2 . . . . A 12 LYS HE3 . 30372 1
120 . 1 . 1 12 12 LYS CA C 13 58.963 0.000 . 1 . . . . A 12 LYS CA . 30372 1
121 . 1 . 1 12 12 LYS CG C 13 24.618 0.005 . 1 . . . . A 12 LYS CG . 30372 1
122 . 1 . 1 12 12 LYS N N 15 120.147 0.000 . 1 . . . . A 12 LYS N . 30372 1
123 . 1 . 1 13 13 ASN H H 1 8.120 0.001 . 1 . . . . A 13 ASN H . 30372 1
124 . 1 . 1 13 13 ASN HA H 1 5.292 0.002 . 1 . . . . A 13 ASN HA . 30372 1
125 . 1 . 1 13 13 ASN HB2 H 1 2.563 0.003 . 2 . . . . A 13 ASN HB2 . 30372 1
126 . 1 . 1 13 13 ASN HB3 H 1 2.314 0.004 . 2 . . . . A 13 ASN HB3 . 30372 1
127 . 1 . 1 13 13 ASN HD21 H 1 7.654 0.004 . 2 . . . . A 13 ASN HD21 . 30372 1
128 . 1 . 1 13 13 ASN HD22 H 1 6.849 0.004 . 2 . . . . A 13 ASN HD22 . 30372 1
129 . 1 . 1 13 13 ASN CA C 13 50.431 0.000 . 1 . . . . A 13 ASN CA . 30372 1
130 . 1 . 1 13 13 ASN CB C 13 39.856 0.032 . 1 . . . . A 13 ASN CB . 30372 1
131 . 1 . 1 13 13 ASN N N 15 112.389 0.000 . 1 . . . . A 13 ASN N . 30372 1
132 . 1 . 1 13 13 ASN ND2 N 15 111.941 0.030 . 1 . . . . A 13 ASN ND2 . 30372 1
133 . 1 . 1 14 14 PRO HA H 1 4.112 0.002 . 1 . . . . A 14 PRO HA . 30372 1
134 . 1 . 1 14 14 PRO HB2 H 1 1.542 0.002 . 2 . . . . A 14 PRO HB2 . 30372 1
135 . 1 . 1 14 14 PRO HB3 H 1 0.567 0.000 . 2 . . . . A 14 PRO HB3 . 30372 1
136 . 1 . 1 14 14 PRO HG2 H 1 1.368 0.008 . 2 . . . . A 14 PRO HG2 . 30372 1
137 . 1 . 1 14 14 PRO HG3 H 1 1.151 0.001 . 2 . . . . A 14 PRO HG3 . 30372 1
138 . 1 . 1 14 14 PRO HD2 H 1 3.232 0.003 . 2 . . . . A 14 PRO HD2 . 30372 1
139 . 1 . 1 14 14 PRO HD3 H 1 3.012 0.002 . 2 . . . . A 14 PRO HD3 . 30372 1
140 . 1 . 1 14 14 PRO CA C 13 61.628 0.000 . 1 . . . . A 14 PRO CA . 30372 1
141 . 1 . 1 14 14 PRO CD C 13 49.991 0.000 . 1 . . . . A 14 PRO CD . 30372 1
142 . 1 . 1 15 15 SER H H 1 9.116 0.006 . 1 . . . . A 15 SER H . 30372 1
143 . 1 . 1 15 15 SER HA H 1 4.349 0.001 . 1 . . . . A 15 SER HA . 30372 1
144 . 1 . 1 15 15 SER HB2 H 1 4.345 0.000 . 2 . . . . A 15 SER HB2 . 30372 1
145 . 1 . 1 15 15 SER HB3 H 1 3.981 0.004 . 2 . . . . A 15 SER HB3 . 30372 1
146 . 1 . 1 15 15 SER CB C 13 65.661 0.004 . 1 . . . . A 15 SER CB . 30372 1
147 . 1 . 1 16 16 GLU H H 1 9.102 0.002 . 1 . . . . A 16 GLU H . 30372 1
148 . 1 . 1 16 16 GLU HA H 1 3.865 0.002 . 1 . . . . A 16 GLU HA . 30372 1
149 . 1 . 1 16 16 GLU HB2 H 1 2.136 0.002 . 2 . . . . A 16 GLU HB2 . 30372 1
150 . 1 . 1 16 16 GLU HB3 H 1 2.138 0.002 . 2 . . . . A 16 GLU HB3 . 30372 1
151 . 1 . 1 16 16 GLU HG2 H 1 2.603 0.001 . 2 . . . . A 16 GLU HG2 . 30372 1
152 . 1 . 1 16 16 GLU HG3 H 1 2.363 0.002 . 2 . . . . A 16 GLU HG3 . 30372 1
153 . 1 . 1 16 16 GLU CA C 13 60.714 0.000 . 1 . . . . A 16 GLU CA . 30372 1
154 . 1 . 1 16 16 GLU CB C 13 29.081 0.044 . 1 . . . . A 16 GLU CB . 30372 1
155 . 1 . 1 16 16 GLU CG C 13 36.413 0.010 . 1 . . . . A 16 GLU CG . 30372 1
156 . 1 . 1 17 17 GLY H H 1 8.734 0.001 . 1 . . . . A 17 GLY H . 30372 1
157 . 1 . 1 17 17 GLY HA2 H 1 3.888 0.003 . 2 . . . . A 17 GLY HA2 . 30372 1
158 . 1 . 1 17 17 GLY HA3 H 1 3.770 0.002 . 2 . . . . A 17 GLY HA3 . 30372 1
159 . 1 . 1 17 17 GLY CA C 13 46.784 0.014 . 1 . . . . A 17 GLY CA . 30372 1
160 . 1 . 1 17 17 GLY N N 15 107.087 0.000 . 1 . . . . A 17 GLY N . 30372 1
161 . 1 . 1 18 18 GLU H H 1 7.994 0.002 . 1 . . . . A 18 GLU H . 30372 1
162 . 1 . 1 18 18 GLU HA H 1 4.034 0.002 . 1 . . . . A 18 GLU HA . 30372 1
163 . 1 . 1 18 18 GLU HB2 H 1 1.670 0.000 . 2 . . . . A 18 GLU HB2 . 30372 1
164 . 1 . 1 18 18 GLU HB3 H 1 1.670 0.000 . 2 . . . . A 18 GLU HB3 . 30372 1
165 . 1 . 1 18 18 GLU CA C 13 59.218 0.000 . 1 . . . . A 18 GLU CA . 30372 1
166 . 1 . 1 18 18 GLU N N 15 123.875 0.000 . 1 . . . . A 18 GLU N . 30372 1
167 . 1 . 1 19 19 CYS H H 1 9.053 0.002 . 1 . . . . A 19 CYS H . 30372 1
168 . 1 . 1 19 19 CYS HA H 1 4.744 0.001 . 1 . . . . A 19 CYS HA . 30372 1
169 . 1 . 1 19 19 CYS HB2 H 1 2.749 0.003 . 2 . . . . A 19 CYS HB2 . 30372 1
170 . 1 . 1 19 19 CYS HB3 H 1 2.916 0.006 . 2 . . . . A 19 CYS HB3 . 30372 1
171 . 1 . 1 19 19 CYS CB C 13 35.226 0.009 . 1 . . . . A 19 CYS CB . 30372 1
172 . 1 . 1 19 19 CYS N N 15 118.981 0.000 . 1 . . . . A 19 CYS N . 30372 1
173 . 1 . 1 20 20 LYS H H 1 9.191 0.002 . 1 . . . . A 20 LYS H . 30372 1
174 . 1 . 1 20 20 LYS HA H 1 3.528 0.002 . 1 . . . . A 20 LYS HA . 30372 1
175 . 1 . 1 20 20 LYS HB2 H 1 1.988 0.002 . 2 . . . . A 20 LYS HB2 . 30372 1
176 . 1 . 1 20 20 LYS HB3 H 1 1.872 0.002 . 2 . . . . A 20 LYS HB3 . 30372 1
177 . 1 . 1 20 20 LYS HG2 H 1 1.431 0.001 . 2 . . . . A 20 LYS HG2 . 30372 1
178 . 1 . 1 20 20 LYS HG3 H 1 1.382 0.001 . 2 . . . . A 20 LYS HG3 . 30372 1
179 . 1 . 1 20 20 LYS HD2 H 1 1.774 0.000 . 2 . . . . A 20 LYS HD2 . 30372 1
180 . 1 . 1 20 20 LYS HD3 H 1 1.713 0.000 . 2 . . . . A 20 LYS HD3 . 30372 1
181 . 1 . 1 20 20 LYS HE2 H 1 3.025 0.002 . 2 . . . . A 20 LYS HE2 . 30372 1
182 . 1 . 1 20 20 LYS HE3 H 1 2.907 0.004 . 2 . . . . A 20 LYS HE3 . 30372 1
183 . 1 . 1 20 20 LYS CA C 13 61.640 0.000 . 1 . . . . A 20 LYS CA . 30372 1
184 . 1 . 1 20 20 LYS CB C 13 31.735 0.000 . 1 . . . . A 20 LYS CB . 30372 1
185 . 1 . 1 20 20 LYS CG C 13 26.107 0.000 . 1 . . . . A 20 LYS CG . 30372 1
186 . 1 . 1 20 20 LYS N N 15 124.547 0.000 . 1 . . . . A 20 LYS N . 30372 1
187 . 1 . 1 21 21 LYS H H 1 7.507 0.003 . 1 . . . . A 21 LYS H . 30372 1
188 . 1 . 1 21 21 LYS HA H 1 3.882 0.002 . 1 . . . . A 21 LYS HA . 30372 1
189 . 1 . 1 21 21 LYS HB2 H 1 1.888 0.000 . 2 . . . . A 21 LYS HB2 . 30372 1
190 . 1 . 1 21 21 LYS HB3 H 1 1.888 0.000 . 2 . . . . A 21 LYS HB3 . 30372 1
191 . 1 . 1 21 21 LYS HG2 H 1 1.418 0.000 . 2 . . . . A 21 LYS HG2 . 30372 1
192 . 1 . 1 21 21 LYS HG3 H 1 1.418 0.000 . 2 . . . . A 21 LYS HG3 . 30372 1
193 . 1 . 1 21 21 LYS HD2 H 1 1.734 0.000 . 2 . . . . A 21 LYS HD2 . 30372 1
194 . 1 . 1 21 21 LYS HD3 H 1 1.618 0.000 . 2 . . . . A 21 LYS HD3 . 30372 1
195 . 1 . 1 21 21 LYS HE2 H 1 3.045 0.000 . 2 . . . . A 21 LYS HE2 . 30372 1
196 . 1 . 1 21 21 LYS HE3 H 1 2.990 0.000 . 2 . . . . A 21 LYS HE3 . 30372 1
197 . 1 . 1 21 21 LYS CA C 13 59.522 0.000 . 1 . . . . A 21 LYS CA . 30372 1
198 . 1 . 1 21 21 LYS CB C 13 32.597 0.000 . 1 . . . . A 21 LYS CB . 30372 1
199 . 1 . 1 21 21 LYS CG C 13 24.928 0.000 . 1 . . . . A 21 LYS CG . 30372 1
200 . 1 . 1 21 21 LYS CD C 13 28.440 0.004 . 1 . . . . A 21 LYS CD . 30372 1
201 . 1 . 1 21 21 LYS N N 15 118.642 0.000 . 1 . . . . A 21 LYS N . 30372 1
202 . 1 . 1 22 22 ALA H H 1 8.045 0.004 . 1 . . . . A 22 ALA H . 30372 1
203 . 1 . 1 22 22 ALA HA H 1 4.200 0.002 . 1 . . . . A 22 ALA HA . 30372 1
204 . 1 . 1 22 22 ALA HB1 H 1 1.685 0.001 . 1 . . . . A 22 ALA HB1 . 30372 1
205 . 1 . 1 22 22 ALA HB2 H 1 1.685 0.001 . 1 . . . . A 22 ALA HB2 . 30372 1
206 . 1 . 1 22 22 ALA HB3 H 1 1.685 0.001 . 1 . . . . A 22 ALA HB3 . 30372 1
207 . 1 . 1 22 22 ALA CA C 13 55.085 0.025 . 1 . . . . A 22 ALA CA . 30372 1
208 . 1 . 1 22 22 ALA CB C 13 18.509 0.017 . 1 . . . . A 22 ALA CB . 30372 1
209 . 1 . 1 22 22 ALA N N 15 120.988 0.000 . 1 . . . . A 22 ALA N . 30372 1
210 . 1 . 1 23 23 CYS H H 1 9.140 0.002 . 1 . . . . A 23 CYS H . 30372 1
211 . 1 . 1 23 23 CYS HA H 1 4.391 0.002 . 1 . . . . A 23 CYS HA . 30372 1
212 . 1 . 1 23 23 CYS HB2 H 1 3.330 0.002 . 2 . . . . A 23 CYS HB2 . 30372 1
213 . 1 . 1 23 23 CYS HB3 H 1 2.773 0.003 . 2 . . . . A 23 CYS HB3 . 30372 1
214 . 1 . 1 23 23 CYS CA C 13 58.041 0.000 . 1 . . . . A 23 CYS CA . 30372 1
215 . 1 . 1 23 23 CYS CB C 13 39.320 0.000 . 1 . . . . A 23 CYS CB . 30372 1
216 . 1 . 1 23 23 CYS N N 15 116.383 0.000 . 1 . . . . A 23 CYS N . 30372 1
217 . 1 . 1 24 24 ALA H H 1 8.517 0.002 . 1 . . . . A 24 ALA H . 30372 1
218 . 1 . 1 24 24 ALA HA H 1 3.833 0.003 . 1 . . . . A 24 ALA HA . 30372 1
219 . 1 . 1 24 24 ALA HB1 H 1 1.271 0.003 . 1 . . . . A 24 ALA HB1 . 30372 1
220 . 1 . 1 24 24 ALA HB2 H 1 1.271 0.003 . 1 . . . . A 24 ALA HB2 . 30372 1
221 . 1 . 1 24 24 ALA HB3 H 1 1.271 0.003 . 1 . . . . A 24 ALA HB3 . 30372 1
222 . 1 . 1 24 24 ALA CA C 13 54.872 0.024 . 1 . . . . A 24 ALA CA . 30372 1
223 . 1 . 1 24 24 ALA CB C 13 18.533 0.001 . 1 . . . . A 24 ALA CB . 30372 1
224 . 1 . 1 25 25 ASP H H 1 8.834 0.002 . 1 . . . . A 25 ASP H . 30372 1
225 . 1 . 1 25 25 ASP HA H 1 4.156 0.002 . 1 . . . . A 25 ASP HA . 30372 1
226 . 1 . 1 25 25 ASP HB2 H 1 2.633 0.009 . 2 . . . . A 25 ASP HB2 . 30372 1
227 . 1 . 1 25 25 ASP HB3 H 1 2.617 0.020 . 2 . . . . A 25 ASP HB3 . 30372 1
228 . 1 . 1 25 25 ASP CA C 13 57.210 0.000 . 1 . . . . A 25 ASP CA . 30372 1
229 . 1 . 1 25 25 ASP N N 15 122.069 0.000 . 1 . . . . A 25 ASP N . 30372 1
230 . 1 . 1 26 26 ALA H H 1 7.435 0.002 . 1 . . . . A 26 ALA H . 30372 1
231 . 1 . 1 26 26 ALA HA H 1 4.016 0.001 . 1 . . . . A 26 ALA HA . 30372 1
232 . 1 . 1 26 26 ALA HB1 H 1 0.725 0.002 . 1 . . . . A 26 ALA HB1 . 30372 1
233 . 1 . 1 26 26 ALA HB2 H 1 0.725 0.002 . 1 . . . . A 26 ALA HB2 . 30372 1
234 . 1 . 1 26 26 ALA HB3 H 1 0.725 0.002 . 1 . . . . A 26 ALA HB3 . 30372 1
235 . 1 . 1 26 26 ALA CA C 13 54.270 0.016 . 1 . . . . A 26 ALA CA . 30372 1
236 . 1 . 1 26 26 ALA CB C 13 18.783 0.000 . 1 . . . . A 26 ALA CB . 30372 1
237 . 1 . 1 26 26 ALA N N 15 119.864 0.000 . 1 . . . . A 26 ALA N . 30372 1
238 . 1 . 1 27 27 PHE H H 1 7.819 0.003 . 1 . . . . A 27 PHE H . 30372 1
239 . 1 . 1 27 27 PHE HA H 1 5.061 0.002 . 1 . . . . A 27 PHE HA . 30372 1
240 . 1 . 1 27 27 PHE HB2 H 1 3.408 0.004 . 2 . . . . A 27 PHE HB2 . 30372 1
241 . 1 . 1 27 27 PHE HB3 H 1 2.518 0.001 . 2 . . . . A 27 PHE HB3 . 30372 1
242 . 1 . 1 27 27 PHE HD1 H 1 7.315 0.001 . 1 . . . . A 27 PHE HD1 . 30372 1
243 . 1 . 1 27 27 PHE HD2 H 1 7.315 0.001 . 1 . . . . A 27 PHE HD2 . 30372 1
244 . 1 . 1 27 27 PHE HE1 H 1 7.271 0.003 . 1 . . . . A 27 PHE HE1 . 30372 1
245 . 1 . 1 27 27 PHE HE2 H 1 7.271 0.003 . 1 . . . . A 27 PHE HE2 . 30372 1
246 . 1 . 1 27 27 PHE CA C 13 57.885 0.000 . 1 . . . . A 27 PHE CA . 30372 1
247 . 1 . 1 27 27 PHE CB C 13 41.859 0.010 . 1 . . . . A 27 PHE CB . 30372 1
248 . 1 . 1 27 27 PHE N N 15 111.289 0.000 . 1 . . . . A 27 PHE N . 30372 1
249 . 1 . 1 28 28 ALA H H 1 8.197 0.002 . 1 . . . . A 28 ALA H . 30372 1
250 . 1 . 1 28 28 ALA HA H 1 4.950 0.005 . 1 . . . . A 28 ALA HA . 30372 1
251 . 1 . 1 28 28 ALA HB1 H 1 1.407 0.001 . 1 . . . . A 28 ALA HB1 . 30372 1
252 . 1 . 1 28 28 ALA HB2 H 1 1.407 0.001 . 1 . . . . A 28 ALA HB2 . 30372 1
253 . 1 . 1 28 28 ALA HB3 H 1 1.407 0.001 . 1 . . . . A 28 ALA HB3 . 30372 1
254 . 1 . 1 28 28 ALA CA C 13 51.022 0.020 . 1 . . . . A 28 ALA CA . 30372 1
255 . 1 . 1 28 28 ALA CB C 13 20.808 0.027 . 1 . . . . A 28 ALA CB . 30372 1
256 . 1 . 1 28 28 ALA N N 15 122.503 0.000 . 1 . . . . A 28 ALA N . 30372 1
257 . 1 . 1 29 29 ASN H H 1 9.400 0.002 . 1 . . . . A 29 ASN H . 30372 1
258 . 1 . 1 29 29 ASN HA H 1 4.479 0.002 . 1 . . . . A 29 ASN HA . 30372 1
259 . 1 . 1 29 29 ASN HB2 H 1 3.115 0.002 . 2 . . . . A 29 ASN HB2 . 30372 1
260 . 1 . 1 29 29 ASN HB3 H 1 2.682 0.006 . 2 . . . . A 29 ASN HB3 . 30372 1
261 . 1 . 1 29 29 ASN HD21 H 1 7.575 0.003 . 2 . . . . A 29 ASN HD21 . 30372 1
262 . 1 . 1 29 29 ASN HD22 H 1 6.866 0.000 . 2 . . . . A 29 ASN HD22 . 30372 1
263 . 1 . 1 29 29 ASN CA C 13 54.509 0.000 . 1 . . . . A 29 ASN CA . 30372 1
264 . 1 . 1 29 29 ASN CB C 13 37.549 0.000 . 1 . . . . A 29 ASN CB . 30372 1
265 . 1 . 1 30 30 GLY H H 1 8.277 0.002 . 1 . . . . A 30 GLY H . 30372 1
266 . 1 . 1 30 30 GLY HA2 H 1 4.296 0.003 . 2 . . . . A 30 GLY HA2 . 30372 1
267 . 1 . 1 30 30 GLY HA3 H 1 3.653 0.001 . 2 . . . . A 30 GLY HA3 . 30372 1
268 . 1 . 1 30 30 GLY CA C 13 44.886 0.020 . 1 . . . . A 30 GLY CA . 30372 1
269 . 1 . 1 30 30 GLY N N 15 103.584 0.000 . 1 . . . . A 30 GLY N . 30372 1
270 . 1 . 1 31 31 ASP H H 1 7.678 0.002 . 1 . . . . A 31 ASP H . 30372 1
271 . 1 . 1 31 31 ASP HA H 1 4.675 0.000 . 1 . . . . A 31 ASP HA . 30372 1
272 . 1 . 1 31 31 ASP HB2 H 1 3.235 0.001 . 2 . . . . A 31 ASP HB2 . 30372 1
273 . 1 . 1 31 31 ASP HB3 H 1 2.632 0.002 . 2 . . . . A 31 ASP HB3 . 30372 1
274 . 1 . 1 31 31 ASP CB C 13 39.868 0.000 . 1 . . . . A 31 ASP CB . 30372 1
275 . 1 . 1 31 31 ASP N N 15 120.076 0.000 . 1 . . . . A 31 ASP N . 30372 1
276 . 1 . 1 32 32 GLN H H 1 8.811 0.002 . 1 . . . . A 32 GLN H . 30372 1
277 . 1 . 1 32 32 GLN HA H 1 3.741 0.001 . 1 . . . . A 32 GLN HA . 30372 1
278 . 1 . 1 32 32 GLN HB2 H 1 2.182 0.001 . 2 . . . . A 32 GLN HB2 . 30372 1
279 . 1 . 1 32 32 GLN HB3 H 1 1.921 0.005 . 2 . . . . A 32 GLN HB3 . 30372 1
280 . 1 . 1 32 32 GLN HG2 H 1 2.504 0.001 . 2 . . . . A 32 GLN HG2 . 30372 1
281 . 1 . 1 32 32 GLN HG3 H 1 1.999 0.003 . 2 . . . . A 32 GLN HG3 . 30372 1
282 . 1 . 1 32 32 GLN HE21 H 1 7.740 0.001 . 2 . . . . A 32 GLN HE21 . 30372 1
283 . 1 . 1 32 32 GLN HE22 H 1 6.961 0.000 . 2 . . . . A 32 GLN HE22 . 30372 1
284 . 1 . 1 32 32 GLN CA C 13 58.925 0.000 . 1 . . . . A 32 GLN CA . 30372 1
285 . 1 . 1 32 32 GLN CB C 13 28.157 0.006 . 1 . . . . A 32 GLN CB . 30372 1
286 . 1 . 1 32 32 GLN CG C 13 35.220 0.015 . 1 . . . . A 32 GLN CG . 30372 1
287 . 1 . 1 32 32 GLN N N 15 124.851 0.000 . 1 . . . . A 32 GLN N . 30372 1
288 . 1 . 1 33 33 SER H H 1 8.576 0.001 . 1 . . . . A 33 SER H . 30372 1
289 . 1 . 1 33 33 SER HA H 1 4.248 0.001 . 1 . . . . A 33 SER HA . 30372 1
290 . 1 . 1 33 33 SER HB2 H 1 3.964 0.011 . 2 . . . . A 33 SER HB2 . 30372 1
291 . 1 . 1 33 33 SER HB3 H 1 3.938 0.011 . 2 . . . . A 33 SER HB3 . 30372 1
292 . 1 . 1 33 33 SER CA C 13 60.998 0.000 . 1 . . . . A 33 SER CA . 30372 1
293 . 1 . 1 33 33 SER CB C 13 62.492 0.006 . 1 . . . . A 33 SER CB . 30372 1
294 . 1 . 1 33 33 SER N N 15 115.827 0.000 . 1 . . . . A 33 SER N . 30372 1
295 . 1 . 1 34 34 LYS H H 1 7.145 0.003 . 1 . . . . A 34 LYS H . 30372 1
296 . 1 . 1 34 34 LYS HA H 1 4.326 0.000 . 1 . . . . A 34 LYS HA . 30372 1
297 . 1 . 1 34 34 LYS HB2 H 1 2.212 0.000 . 2 . . . . A 34 LYS HB2 . 30372 1
298 . 1 . 1 34 34 LYS HB3 H 1 1.747 0.000 . 2 . . . . A 34 LYS HB3 . 30372 1
299 . 1 . 1 34 34 LYS HG2 H 1 1.494 0.001 . 2 . . . . A 34 LYS HG2 . 30372 1
300 . 1 . 1 34 34 LYS HG3 H 1 1.321 0.000 . 2 . . . . A 34 LYS HG3 . 30372 1
301 . 1 . 1 34 34 LYS HD2 H 1 1.589 0.000 . 2 . . . . A 34 LYS HD2 . 30372 1
302 . 1 . 1 34 34 LYS HD3 H 1 1.589 0.000 . 2 . . . . A 34 LYS HD3 . 30372 1
303 . 1 . 1 34 34 LYS HE2 H 1 2.941 0.000 . 2 . . . . A 34 LYS HE2 . 30372 1
304 . 1 . 1 34 34 LYS HE3 H 1 2.941 0.000 . 2 . . . . A 34 LYS HE3 . 30372 1
305 . 1 . 1 34 34 LYS CB C 13 31.965 0.001 . 1 . . . . A 34 LYS CB . 30372 1
306 . 1 . 1 34 34 LYS CG C 13 25.205 0.008 . 1 . . . . A 34 LYS CG . 30372 1
307 . 1 . 1 34 34 LYS N N 15 119.276 0.000 . 1 . . . . A 34 LYS N . 30372 1
308 . 1 . 1 35 35 ILE H H 1 7.398 0.002 . 1 . . . . A 35 ILE H . 30372 1
309 . 1 . 1 35 35 ILE HA H 1 4.677 0.003 . 1 . . . . A 35 ILE HA . 30372 1
310 . 1 . 1 35 35 ILE HB H 1 2.362 0.002 . 1 . . . . A 35 ILE HB . 30372 1
311 . 1 . 1 35 35 ILE HG12 H 1 1.657 0.002 . 1 . . . . A 35 ILE HG12 . 30372 1
312 . 1 . 1 35 35 ILE HG13 H 1 1.321 0.000 . 1 . . . . A 35 ILE HG13 . 30372 1
313 . 1 . 1 35 35 ILE HG21 H 1 0.857 0.002 . 1 . . . . A 35 ILE HG21 . 30372 1
314 . 1 . 1 35 35 ILE HG22 H 1 0.857 0.002 . 1 . . . . A 35 ILE HG22 . 30372 1
315 . 1 . 1 35 35 ILE HG23 H 1 0.857 0.002 . 1 . . . . A 35 ILE HG23 . 30372 1
316 . 1 . 1 35 35 ILE HD11 H 1 0.607 0.000 . 1 . . . . A 35 ILE HD11 . 30372 1
317 . 1 . 1 35 35 ILE HD12 H 1 0.607 0.000 . 1 . . . . A 35 ILE HD12 . 30372 1
318 . 1 . 1 35 35 ILE HD13 H 1 0.607 0.000 . 1 . . . . A 35 ILE HD13 . 30372 1
319 . 1 . 1 35 35 ILE CB C 13 34.937 0.007 . 1 . . . . A 35 ILE CB . 30372 1
320 . 1 . 1 35 35 ILE CG1 C 13 26.110 0.004 . 1 . . . . A 35 ILE CG1 . 30372 1
321 . 1 . 1 35 35 ILE CD1 C 13 9.930 0.000 . 1 . . . . A 35 ILE CD1 . 30372 1
322 . 1 . 1 35 35 ILE N N 15 118.990 0.000 . 1 . . . . A 35 ILE N . 30372 1
323 . 1 . 1 36 36 ALA H H 1 8.494 0.002 . 1 . . . . A 36 ALA H . 30372 1
324 . 1 . 1 36 36 ALA HA H 1 4.107 0.002 . 1 . . . . A 36 ALA HA . 30372 1
325 . 1 . 1 36 36 ALA HB1 H 1 1.276 0.001 . 1 . . . . A 36 ALA HB1 . 30372 1
326 . 1 . 1 36 36 ALA HB2 H 1 1.276 0.001 . 1 . . . . A 36 ALA HB2 . 30372 1
327 . 1 . 1 36 36 ALA HB3 H 1 1.276 0.001 . 1 . . . . A 36 ALA HB3 . 30372 1
328 . 1 . 1 36 36 ALA CA C 13 53.958 0.000 . 1 . . . . A 36 ALA CA . 30372 1
329 . 1 . 1 36 36 ALA CB C 13 18.998 0.002 . 1 . . . . A 36 ALA CB . 30372 1
330 . 1 . 1 36 36 ALA N N 15 129.811 0.000 . 1 . . . . A 36 ALA N . 30372 1
331 . 1 . 1 37 37 LYS H H 1 7.464 0.002 . 1 . . . . A 37 LYS H . 30372 1
332 . 1 . 1 37 37 LYS HA H 1 4.315 0.001 . 1 . . . . A 37 LYS HA . 30372 1
333 . 1 . 1 37 37 LYS HB2 H 1 1.582 0.004 . 2 . . . . A 37 LYS HB2 . 30372 1
334 . 1 . 1 37 37 LYS HB3 H 1 1.287 0.009 . 2 . . . . A 37 LYS HB3 . 30372 1
335 . 1 . 1 37 37 LYS HG2 H 1 1.163 0.001 . 2 . . . . A 37 LYS HG2 . 30372 1
336 . 1 . 1 37 37 LYS HG3 H 1 1.058 0.003 . 2 . . . . A 37 LYS HG3 . 30372 1
337 . 1 . 1 37 37 LYS HE2 H 1 2.650 0.000 . 2 . . . . A 37 LYS HE2 . 30372 1
338 . 1 . 1 37 37 LYS HE3 H 1 2.650 0.000 . 2 . . . . A 37 LYS HE3 . 30372 1
339 . 1 . 1 37 37 LYS CG C 13 24.331 0.001 . 1 . . . . A 37 LYS CG . 30372 1
340 . 1 . 1 37 37 LYS N N 15 113.544 0.000 . 1 . . . . A 37 LYS N . 30372 1
341 . 1 . 1 38 38 ALA H H 1 8.759 0.001 . 1 . . . . A 38 ALA H . 30372 1
342 . 1 . 1 38 38 ALA HA H 1 5.406 0.003 . 1 . . . . A 38 ALA HA . 30372 1
343 . 1 . 1 38 38 ALA HB1 H 1 1.262 0.002 . 1 . . . . A 38 ALA HB1 . 30372 1
344 . 1 . 1 38 38 ALA HB2 H 1 1.262 0.002 . 1 . . . . A 38 ALA HB2 . 30372 1
345 . 1 . 1 38 38 ALA HB3 H 1 1.262 0.002 . 1 . . . . A 38 ALA HB3 . 30372 1
346 . 1 . 1 38 38 ALA CA C 13 51.457 0.034 . 1 . . . . A 38 ALA CA . 30372 1
347 . 1 . 1 38 38 ALA CB C 13 23.467 0.002 . 1 . . . . A 38 ALA CB . 30372 1
348 . 1 . 1 38 38 ALA N N 15 126.695 0.000 . 1 . . . . A 38 ALA N . 30372 1
349 . 1 . 1 39 39 GLU H H 1 8.013 0.002 . 1 . . . . A 39 GLU H . 30372 1
350 . 1 . 1 39 39 GLU HA H 1 4.857 0.006 . 1 . . . . A 39 GLU HA . 30372 1
351 . 1 . 1 39 39 GLU HB2 H 1 2.295 0.000 . 2 . . . . A 39 GLU HB2 . 30372 1
352 . 1 . 1 39 39 GLU HB3 H 1 1.959 0.003 . 2 . . . . A 39 GLU HB3 . 30372 1
353 . 1 . 1 39 39 GLU HG2 H 1 2.344 0.000 . 2 . . . . A 39 GLU HG2 . 30372 1
354 . 1 . 1 39 39 GLU HG3 H 1 2.270 0.000 . 2 . . . . A 39 GLU HG3 . 30372 1
355 . 1 . 1 39 39 GLU CB C 13 32.257 0.000 . 1 . . . . A 39 GLU CB . 30372 1
356 . 1 . 1 39 39 GLU CG C 13 37.798 0.010 . 1 . . . . A 39 GLU CG . 30372 1
357 . 1 . 1 39 39 GLU N N 15 113.523 0.000 . 1 . . . . A 39 GLU N . 30372 1
358 . 1 . 1 40 40 ASN H H 1 9.748 0.002 . 1 . . . . A 40 ASN H . 30372 1
359 . 1 . 1 40 40 ASN HA H 1 5.663 0.004 . 1 . . . . A 40 ASN HA . 30372 1
360 . 1 . 1 40 40 ASN HB2 H 1 2.993 0.005 . 2 . . . . A 40 ASN HB2 . 30372 1
361 . 1 . 1 40 40 ASN HB3 H 1 2.814 0.003 . 2 . . . . A 40 ASN HB3 . 30372 1
362 . 1 . 1 40 40 ASN HD21 H 1 6.185 0.002 . 2 . . . . A 40 ASN HD21 . 30372 1
363 . 1 . 1 40 40 ASN HD22 H 1 8.151 0.002 . 2 . . . . A 40 ASN HD22 . 30372 1
364 . 1 . 1 40 40 ASN CA C 13 52.002 0.000 . 1 . . . . A 40 ASN CA . 30372 1
365 . 1 . 1 40 40 ASN CB C 13 38.736 0.034 . 1 . . . . A 40 ASN CB . 30372 1
366 . 1 . 1 40 40 ASN N N 15 124.944 0.000 . 1 . . . . A 40 ASN N . 30372 1
367 . 1 . 1 41 41 PHE H H 1 7.639 0.002 . 1 . . . . A 41 PHE H . 30372 1
368 . 1 . 1 41 41 PHE HA H 1 4.785 0.000 . 1 . . . . A 41 PHE HA . 30372 1
369 . 1 . 1 41 41 PHE HB2 H 1 3.432 0.003 . 2 . . . . A 41 PHE HB2 . 30372 1
370 . 1 . 1 41 41 PHE HB3 H 1 2.942 0.002 . 2 . . . . A 41 PHE HB3 . 30372 1
371 . 1 . 1 41 41 PHE HD1 H 1 7.191 0.008 . 1 . . . . A 41 PHE HD1 . 30372 1
372 . 1 . 1 41 41 PHE HD2 H 1 7.191 0.008 . 1 . . . . A 41 PHE HD2 . 30372 1
373 . 1 . 1 41 41 PHE HE1 H 1 7.081 0.001 . 1 . . . . A 41 PHE HE1 . 30372 1
374 . 1 . 1 41 41 PHE HE2 H 1 7.081 0.001 . 1 . . . . A 41 PHE HE2 . 30372 1
375 . 1 . 1 41 41 PHE CB C 13 39.857 0.001 . 1 . . . . A 41 PHE CB . 30372 1
376 . 1 . 1 41 41 PHE CD1 C 13 131.861 0.031 . 1 . . . . A 41 PHE CD1 . 30372 1
377 . 1 . 1 41 41 PHE CE2 C 13 130.064 0.012 . 1 . . . . A 41 PHE CE2 . 30372 1
378 . 1 . 1 41 41 PHE N N 15 123.644 0.000 . 1 . . . . A 41 PHE N . 30372 1
379 . 1 . 1 42 42 LYS H H 1 7.411 0.002 . 1 . . . . A 42 LYS H . 30372 1
380 . 1 . 1 42 42 LYS HA H 1 4.354 0.001 . 1 . . . . A 42 LYS HA . 30372 1
381 . 1 . 1 42 42 LYS HB2 H 1 1.475 0.000 . 2 . . . . A 42 LYS HB2 . 30372 1
382 . 1 . 1 42 42 LYS HB3 H 1 1.475 0.000 . 2 . . . . A 42 LYS HB3 . 30372 1
383 . 1 . 1 42 42 LYS HG2 H 1 0.820 0.001 . 2 . . . . A 42 LYS HG2 . 30372 1
384 . 1 . 1 42 42 LYS HG3 H 1 0.428 0.004 . 2 . . . . A 42 LYS HG3 . 30372 1
385 . 1 . 1 42 42 LYS HD2 H 1 1.176 0.000 . 2 . . . . A 42 LYS HD2 . 30372 1
386 . 1 . 1 42 42 LYS HD3 H 1 1.176 0.000 . 2 . . . . A 42 LYS HD3 . 30372 1
387 . 1 . 1 42 42 LYS CB C 13 34.903 0.000 . 1 . . . . A 42 LYS CB . 30372 1
388 . 1 . 1 42 42 LYS CG C 13 23.219 0.007 . 1 . . . . A 42 LYS CG . 30372 1
389 . 1 . 1 42 42 LYS CD C 13 29.345 0.003 . 1 . . . . A 42 LYS CD . 30372 1
390 . 1 . 1 42 42 LYS N N 15 118.417 0.000 . 1 . . . . A 42 LYS N . 30372 1
391 . 1 . 1 43 43 ASP H H 1 8.518 0.002 . 1 . . . . A 43 ASP H . 30372 1
392 . 1 . 1 43 43 ASP HA H 1 4.457 0.005 . 1 . . . . A 43 ASP HA . 30372 1
393 . 1 . 1 43 43 ASP HB2 H 1 2.617 0.007 . 2 . . . . A 43 ASP HB2 . 30372 1
394 . 1 . 1 43 43 ASP HB3 H 1 2.458 0.001 . 2 . . . . A 43 ASP HB3 . 30372 1
395 . 1 . 1 43 43 ASP CA C 13 56.007 0.000 . 1 . . . . A 43 ASP CA . 30372 1
396 . 1 . 1 43 43 ASP CB C 13 40.182 0.000 . 1 . . . . A 43 ASP CB . 30372 1
397 . 1 . 1 44 44 TYR H H 1 9.584 0.002 . 1 . . . . A 44 TYR H . 30372 1
398 . 1 . 1 44 44 TYR HA H 1 4.540 0.002 . 1 . . . . A 44 TYR HA . 30372 1
399 . 1 . 1 44 44 TYR HB2 H 1 3.457 0.003 . 2 . . . . A 44 TYR HB2 . 30372 1
400 . 1 . 1 44 44 TYR HB3 H 1 3.291 0.006 . 2 . . . . A 44 TYR HB3 . 30372 1
401 . 1 . 1 44 44 TYR HD1 H 1 6.958 0.000 . 1 . . . . A 44 TYR HD1 . 30372 1
402 . 1 . 1 44 44 TYR HD2 H 1 6.958 0.000 . 1 . . . . A 44 TYR HD2 . 30372 1
403 . 1 . 1 44 44 TYR HE1 H 1 6.805 0.000 . 1 . . . . A 44 TYR HE1 . 30372 1
404 . 1 . 1 44 44 TYR HE2 H 1 6.805 0.000 . 1 . . . . A 44 TYR HE2 . 30372 1
405 . 1 . 1 44 44 TYR CA C 13 59.531 0.000 . 1 . . . . A 44 TYR CA . 30372 1
406 . 1 . 1 44 44 TYR CB C 13 34.988 0.000 . 1 . . . . A 44 TYR CB . 30372 1
407 . 1 . 1 44 44 TYR CD1 C 13 133.862 0.039 . 1 . . . . A 44 TYR CD1 . 30372 1
408 . 1 . 1 44 44 TYR CE2 C 13 117.525 0.000 . 1 . . . . A 44 TYR CE2 . 30372 1
409 . 1 . 1 44 44 TYR N N 15 113.350 0.000 . 1 . . . . A 44 TYR N . 30372 1
410 . 1 . 1 45 45 TYR H H 1 8.251 0.003 . 1 . . . . A 45 TYR H . 30372 1
411 . 1 . 1 45 45 TYR HA H 1 5.522 0.002 . 1 . . . . A 45 TYR HA . 30372 1
412 . 1 . 1 45 45 TYR HB2 H 1 2.781 0.002 . 2 . . . . A 45 TYR HB2 . 30372 1
413 . 1 . 1 45 45 TYR HB3 H 1 2.329 0.004 . 2 . . . . A 45 TYR HB3 . 30372 1
414 . 1 . 1 45 45 TYR HD1 H 1 7.208 0.009 . 1 . . . . A 45 TYR HD1 . 30372 1
415 . 1 . 1 45 45 TYR HD2 H 1 7.208 0.009 . 1 . . . . A 45 TYR HD2 . 30372 1
416 . 1 . 1 45 45 TYR HE1 H 1 6.807 0.000 . 1 . . . . A 45 TYR HE1 . 30372 1
417 . 1 . 1 45 45 TYR HE2 H 1 6.807 0.000 . 1 . . . . A 45 TYR HE2 . 30372 1
418 . 1 . 1 45 45 TYR CB C 13 44.564 0.011 . 1 . . . . A 45 TYR CB . 30372 1
419 . 1 . 1 45 45 TYR CD1 C 13 133.617 0.000 . 1 . . . . A 45 TYR CD1 . 30372 1
420 . 1 . 1 45 45 TYR CE2 C 13 117.482 0.000 . 1 . . . . A 45 TYR CE2 . 30372 1
421 . 1 . 1 45 45 TYR N N 15 114.569 0.000 . 1 . . . . A 45 TYR N . 30372 1
422 . 1 . 1 46 46 CYS H H 1 9.394 0.003 . 1 . . . . A 46 CYS H . 30372 1
423 . 1 . 1 46 46 CYS HA H 1 5.623 0.004 . 1 . . . . A 46 CYS HA . 30372 1
424 . 1 . 1 46 46 CYS HB2 H 1 2.897 0.001 . 2 . . . . A 46 CYS HB2 . 30372 1
425 . 1 . 1 46 46 CYS HB3 H 1 2.653 0.002 . 2 . . . . A 46 CYS HB3 . 30372 1
426 . 1 . 1 46 46 CYS CA C 13 53.417 0.000 . 1 . . . . A 46 CYS CA . 30372 1
427 . 1 . 1 47 47 ASN H H 1 9.777 0.002 . 1 . . . . A 47 ASN H . 30372 1
428 . 1 . 1 47 47 ASN HA H 1 5.105 0.002 . 1 . . . . A 47 ASN HA . 30372 1
429 . 1 . 1 47 47 ASN HB2 H 1 2.767 0.003 . 2 . . . . A 47 ASN HB2 . 30372 1
430 . 1 . 1 47 47 ASN HB3 H 1 1.908 0.005 . 2 . . . . A 47 ASN HB3 . 30372 1
431 . 1 . 1 47 47 ASN HD21 H 1 6.963 0.000 . 2 . . . . A 47 ASN HD21 . 30372 1
432 . 1 . 1 47 47 ASN HD22 H 1 6.707 0.000 . 2 . . . . A 47 ASN HD22 . 30372 1
433 . 1 . 1 47 47 ASN CB C 13 39.011 0.002 . 1 . . . . A 47 ASN CB . 30372 1
434 . 1 . 1 47 47 ASN N N 15 121.440 0.000 . 1 . . . . A 47 ASN N . 30372 1
435 . 1 . 1 48 48 CYS H H 1 8.390 0.002 . 1 . . . . A 48 CYS H . 30372 1
436 . 1 . 1 48 48 CYS HA H 1 4.851 0.005 . 1 . . . . A 48 CYS HA . 30372 1
437 . 1 . 1 48 48 CYS HB2 H 1 3.398 0.002 . 2 . . . . A 48 CYS HB2 . 30372 1
438 . 1 . 1 48 48 CYS HB3 H 1 2.688 0.001 . 2 . . . . A 48 CYS HB3 . 30372 1
439 . 1 . 1 48 48 CYS CB C 13 38.739 0.006 . 1 . . . . A 48 CYS CB . 30372 1
440 . 1 . 1 48 48 CYS N N 15 124.002 0.000 . 1 . . . . A 48 CYS N . 30372 1
441 . 1 . 1 49 49 HIS H H 1 8.598 0.002 . 1 . . . . A 49 HIS H . 30372 1
442 . 1 . 1 49 49 HIS HA H 1 5.113 0.003 . 1 . . . . A 49 HIS HA . 30372 1
443 . 1 . 1 49 49 HIS HB2 H 1 3.346 0.004 . 2 . . . . A 49 HIS HB2 . 30372 1
444 . 1 . 1 49 49 HIS HB3 H 1 3.066 0.003 . 2 . . . . A 49 HIS HB3 . 30372 1
445 . 1 . 1 49 49 HIS HD2 H 1 6.865 0.002 . 1 . . . . A 49 HIS HD2 . 30372 1
446 . 1 . 1 49 49 HIS HE1 H 1 8.260 0.002 . 1 . . . . A 49 HIS HE1 . 30372 1
447 . 1 . 1 49 49 HIS CB C 13 27.760 0.014 . 1 . . . . A 49 HIS CB . 30372 1
448 . 1 . 1 49 49 HIS CD2 C 13 119.822 0.000 . 1 . . . . A 49 HIS CD2 . 30372 1
449 . 1 . 1 49 49 HIS CE1 C 13 135.338 0.000 . 1 . . . . A 49 HIS CE1 . 30372 1
450 . 1 . 1 49 49 HIS N N 15 122.409 0.000 . 1 . . . . A 49 HIS N . 30372 1
451 . 1 . 1 50 50 ILE H H 1 9.108 0.002 . 1 . . . . A 50 ILE H . 30372 1
452 . 1 . 1 50 50 ILE HA H 1 4.343 0.002 . 1 . . . . A 50 ILE HA . 30372 1
453 . 1 . 1 50 50 ILE HB H 1 1.587 0.002 . 1 . . . . A 50 ILE HB . 30372 1
454 . 1 . 1 50 50 ILE HG12 H 1 1.186 0.001 . 1 . . . . A 50 ILE HG12 . 30372 1
455 . 1 . 1 50 50 ILE HG13 H 1 0.580 0.004 . 1 . . . . A 50 ILE HG13 . 30372 1
456 . 1 . 1 50 50 ILE HG21 H 1 0.783 0.002 . 1 . . . . A 50 ILE HG21 . 30372 1
457 . 1 . 1 50 50 ILE HG22 H 1 0.783 0.002 . 1 . . . . A 50 ILE HG22 . 30372 1
458 . 1 . 1 50 50 ILE HG23 H 1 0.783 0.002 . 1 . . . . A 50 ILE HG23 . 30372 1
459 . 1 . 1 50 50 ILE HD11 H 1 0.252 0.003 . 1 . . . . A 50 ILE HD11 . 30372 1
460 . 1 . 1 50 50 ILE HD12 H 1 0.252 0.003 . 1 . . . . A 50 ILE HD12 . 30372 1
461 . 1 . 1 50 50 ILE HD13 H 1 0.252 0.003 . 1 . . . . A 50 ILE HD13 . 30372 1
462 . 1 . 1 50 50 ILE CB C 13 40.489 0.022 . 1 . . . . A 50 ILE CB . 30372 1
463 . 1 . 1 50 50 ILE CG1 C 13 28.407 0.001 . 1 . . . . A 50 ILE CG1 . 30372 1
464 . 1 . 1 50 50 ILE CD1 C 13 14.969 0.000 . 1 . . . . A 50 ILE CD1 . 30372 1
465 . 1 . 1 51 51 ILE H H 1 8.908 0.002 . 1 . . . . A 51 ILE H . 30372 1
466 . 1 . 1 51 51 ILE HA H 1 4.175 0.003 . 1 . . . . A 51 ILE HA . 30372 1
467 . 1 . 1 51 51 ILE HB H 1 1.719 0.001 . 1 . . . . A 51 ILE HB . 30372 1
468 . 1 . 1 51 51 ILE HG12 H 1 1.054 0.000 . 1 . . . . A 51 ILE HG12 . 30372 1
469 . 1 . 1 51 51 ILE HG13 H 1 1.054 0.000 . 1 . . . . A 51 ILE HG13 . 30372 1
470 . 1 . 1 51 51 ILE HG21 H 1 0.855 0.001 . 1 . . . . A 51 ILE HG21 . 30372 1
471 . 1 . 1 51 51 ILE HG22 H 1 0.855 0.001 . 1 . . . . A 51 ILE HG22 . 30372 1
472 . 1 . 1 51 51 ILE HG23 H 1 0.855 0.001 . 1 . . . . A 51 ILE HG23 . 30372 1
473 . 1 . 1 51 51 ILE HD11 H 1 0.835 0.000 . 1 . . . . A 51 ILE HD11 . 30372 1
474 . 1 . 1 51 51 ILE HD12 H 1 0.835 0.000 . 1 . . . . A 51 ILE HD12 . 30372 1
475 . 1 . 1 51 51 ILE HD13 H 1 0.835 0.000 . 1 . . . . A 51 ILE HD13 . 30372 1
476 . 1 . 1 51 51 ILE CA C 13 62.140 0.000 . 1 . . . . A 51 ILE CA . 30372 1
477 . 1 . 1 51 51 ILE CB C 13 38.460 0.011 . 1 . . . . A 51 ILE CB . 30372 1
478 . 1 . 1 51 51 ILE CD1 C 13 12.928 0.000 . 1 . . . . A 51 ILE CD1 . 30372 1
479 . 1 . 1 51 51 ILE N N 15 127.007 0.000 . 1 . . . . A 51 ILE N . 30372 1
480 . 1 . 1 52 52 ILE H H 1 8.317 0.001 . 1 . . . . A 52 ILE H . 30372 1
481 . 1 . 1 52 52 ILE HA H 1 4.212 0.004 . 1 . . . . A 52 ILE HA . 30372 1
482 . 1 . 1 52 52 ILE HB H 1 1.686 0.001 . 1 . . . . A 52 ILE HB . 30372 1
483 . 1 . 1 52 52 ILE HG12 H 1 1.273 0.001 . 1 . . . . A 52 ILE HG12 . 30372 1
484 . 1 . 1 52 52 ILE HG13 H 1 0.979 0.003 . 1 . . . . A 52 ILE HG13 . 30372 1
485 . 1 . 1 52 52 ILE HG21 H 1 0.787 0.002 . 1 . . . . A 52 ILE HG21 . 30372 1
486 . 1 . 1 52 52 ILE HG22 H 1 0.787 0.002 . 1 . . . . A 52 ILE HG22 . 30372 1
487 . 1 . 1 52 52 ILE HG23 H 1 0.787 0.002 . 1 . . . . A 52 ILE HG23 . 30372 1
488 . 1 . 1 52 52 ILE HD11 H 1 0.699 0.002 . 1 . . . . A 52 ILE HD11 . 30372 1
489 . 1 . 1 52 52 ILE HD12 H 1 0.699 0.002 . 1 . . . . A 52 ILE HD12 . 30372 1
490 . 1 . 1 52 52 ILE HD13 H 1 0.699 0.002 . 1 . . . . A 52 ILE HD13 . 30372 1
491 . 1 . 1 52 52 ILE CA C 13 60.958 0.000 . 1 . . . . A 52 ILE CA . 30372 1
492 . 1 . 1 52 52 ILE CB C 13 38.995 0.014 . 1 . . . . A 52 ILE CB . 30372 1
493 . 1 . 1 52 52 ILE CD1 C 13 12.578 0.000 . 1 . . . . A 52 ILE CD1 . 30372 1
494 . 1 . 1 52 52 ILE N N 15 126.462 0.000 . 1 . . . . A 52 ILE N . 30372 1
495 . 1 . 1 53 53 HIS H H 1 7.985 0.001 . 1 . . . . A 53 HIS H . 30372 1
496 . 1 . 1 53 53 HIS HA H 1 4.420 0.003 . 1 . . . . A 53 HIS HA . 30372 1
497 . 1 . 1 53 53 HIS HB2 H 1 3.177 0.004 . 2 . . . . A 53 HIS HB2 . 30372 1
498 . 1 . 1 53 53 HIS HB3 H 1 3.122 0.001 . 2 . . . . A 53 HIS HB3 . 30372 1
499 . 1 . 1 53 53 HIS HD2 H 1 7.249 0.003 . 1 . . . . A 53 HIS HD2 . 30372 1
500 . 1 . 1 53 53 HIS HE1 H 1 8.459 0.013 . 1 . . . . A 53 HIS HE1 . 30372 1
501 . 1 . 1 53 53 HIS CA C 13 57.137 0.000 . 1 . . . . A 53 HIS CA . 30372 1
502 . 1 . 1 53 53 HIS CB C 13 30.428 0.029 . 1 . . . . A 53 HIS CB . 30372 1
503 . 1 . 1 53 53 HIS CE1 C 13 135.949 0.000 . 1 . . . . A 53 HIS CE1 . 30372 1
504 . 1 . 1 53 53 HIS N N 15 124.852 0.000 . 1 . . . . A 53 HIS N . 30372 1
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