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 30783
_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' . . . 30783 1
2 '2D 1H-1H NOESY' . . . 30783 1
3 '2D 1H-15N HSQC' . . . 30783 1
4 '2D 1H-13C HSQC aliphatic' . . . 30783 1
5 '2D 1H-1H ECOSY' . . . 30783 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 4.066 0.001 . 1 . . . . A 1 ALA HA . 30783 1
2 . 1 . 1 1 1 ALA HB1 H 1 1.495 0.002 . . . . . . A 1 ALA HB1 . 30783 1
3 . 1 . 1 1 1 ALA HB2 H 1 1.495 0.002 . . . . . . A 1 ALA HB2 . 30783 1
4 . 1 . 1 1 1 ALA HB3 H 1 1.495 0.002 . . . . . . A 1 ALA HB3 . 30783 1
5 . 1 . 1 1 1 ALA CA C 13 51.589 0.000 . 1 . . . . A 1 ALA CA . 30783 1
6 . 1 . 1 1 1 ALA CB C 13 19.224 0.000 . 1 . . . . A 1 ALA CB . 30783 1
7 . 1 . 1 2 2 HIS H H 1 8.884 0.000 . 1 . . . . A 2 HIS H . 30783 1
8 . 1 . 1 2 2 HIS HA H 1 4.702 0.004 . 1 . . . . A 2 HIS HA . 30783 1
9 . 1 . 1 2 2 HIS HB2 H 1 3.184 0.002 . 2 . . . . A 2 HIS HB2 . 30783 1
10 . 1 . 1 2 2 HIS HB3 H 1 3.250 0.005 . 2 . . . . A 2 HIS HB3 . 30783 1
11 . 1 . 1 2 2 HIS HD2 H 1 7.325 0.002 . 1 . . . . A 2 HIS HD2 . 30783 1
12 . 1 . 1 2 2 HIS HE1 H 1 8.620 0.000 . 1 . . . . A 2 HIS HE1 . 30783 1
13 . 1 . 1 2 2 HIS CA C 13 55.568 0.000 . 1 . . . . A 2 HIS CA . 30783 1
14 . 1 . 1 2 2 HIS CB C 13 29.192 0.009 . 1 . . . . A 2 HIS CB . 30783 1
15 . 1 . 1 2 2 HIS N N 15 117.225 0.000 . 1 . . . . A 2 HIS N . 30783 1
16 . 1 . 1 3 3 CYS H H 1 9.004 0.001 . 1 . . . . A 3 CYS H . 30783 1
17 . 1 . 1 3 3 CYS HA H 1 4.384 0.001 . 1 . . . . A 3 CYS HA . 30783 1
18 . 1 . 1 3 3 CYS HB2 H 1 2.790 0.008 . 2 . . . . A 3 CYS HB2 . 30783 1
19 . 1 . 1 3 3 CYS HB3 H 1 3.381 0.002 . 2 . . . . A 3 CYS HB3 . 30783 1
20 . 1 . 1 3 3 CYS CA C 13 56.588 0.000 . 1 . . . . A 3 CYS CA . 30783 1
21 . 1 . 1 3 3 CYS CB C 13 41.994 0.007 . 1 . . . . A 3 CYS CB . 30783 1
22 . 1 . 1 3 3 CYS N N 15 122.965 0.000 . 1 . . . . A 3 CYS N . 30783 1
23 . 1 . 1 4 4 ASP H H 1 8.058 0.002 . 1 . . . . A 4 ASP H . 30783 1
24 . 1 . 1 4 4 ASP HA H 1 4.733 0.003 . 1 . . . . A 4 ASP HA . 30783 1
25 . 1 . 1 4 4 ASP HB2 H 1 2.545 0.008 . 2 . . . . A 4 ASP HB2 . 30783 1
26 . 1 . 1 4 4 ASP HB3 H 1 2.808 0.010 . 2 . . . . A 4 ASP HB3 . 30783 1
27 . 1 . 1 4 4 ASP CA C 13 52.813 0.000 . 1 . . . . A 4 ASP CA . 30783 1
28 . 1 . 1 4 4 ASP CB C 13 40.517 0.052 . 1 . . . . A 4 ASP CB . 30783 1
29 . 1 . 1 4 4 ASP N N 15 116.990 0.000 . 1 . . . . A 4 ASP N . 30783 1
30 . 1 . 1 5 5 HIS H H 1 9.070 0.001 . 1 . . . . A 5 HIS H . 30783 1
31 . 1 . 1 5 5 HIS HA H 1 4.978 0.003 . 1 . . . . A 5 HIS HA . 30783 1
32 . 1 . 1 5 5 HIS HB2 H 1 2.707 0.016 . 2 . . . . A 5 HIS HB2 . 30783 1
33 . 1 . 1 5 5 HIS HB3 H 1 3.090 0.003 . 2 . . . . A 5 HIS HB3 . 30783 1
34 . 1 . 1 5 5 HIS HD2 H 1 7.097 0.001 . 1 . . . . A 5 HIS HD2 . 30783 1
35 . 1 . 1 5 5 HIS HE1 H 1 8.603 0.000 . 1 . . . . A 5 HIS HE1 . 30783 1
36 . 1 . 1 5 5 HIS CB C 13 28.250 0.000 . 1 . . . . A 5 HIS CB . 30783 1
37 . 1 . 1 5 5 HIS N N 15 119.754 0.000 . 1 . . . . A 5 HIS N . 30783 1
38 . 1 . 1 6 6 PHE H H 1 9.363 0.002 . 1 . . . . A 6 PHE H . 30783 1
39 . 1 . 1 6 6 PHE HA H 1 3.973 0.001 . 1 . . . . A 6 PHE HA . 30783 1
40 . 1 . 1 6 6 PHE HB2 H 1 2.791 0.003 . 2 . . . . A 6 PHE HB2 . 30783 1
41 . 1 . 1 6 6 PHE HB3 H 1 3.108 0.002 . 2 . . . . A 6 PHE HB3 . 30783 1
42 . 1 . 1 6 6 PHE HD1 H 1 6.829 0.002 . 3 . . . . A 6 PHE HD1 . 30783 1
43 . 1 . 1 6 6 PHE HD2 H 1 6.829 0.002 . 3 . . . . A 6 PHE HD2 . 30783 1
44 . 1 . 1 6 6 PHE HE1 H 1 6.751 0.000 . 3 . . . . A 6 PHE HE1 . 30783 1
45 . 1 . 1 6 6 PHE HE2 H 1 6.751 0.000 . 3 . . . . A 6 PHE HE2 . 30783 1
46 . 1 . 1 6 6 PHE CA C 13 58.614 0.000 . 1 . . . . A 6 PHE CA . 30783 1
47 . 1 . 1 6 6 PHE CB C 13 38.557 0.017 . 1 . . . . A 6 PHE CB . 30783 1
48 . 1 . 1 6 6 PHE N N 15 130.346 0.000 . 1 . . . . A 6 PHE N . 30783 1
49 . 1 . 1 7 7 LEU H H 1 8.247 0.001 . 1 . . . . A 7 LEU H . 30783 1
50 . 1 . 1 7 7 LEU HA H 1 3.846 0.002 . 1 . . . . A 7 LEU HA . 30783 1
51 . 1 . 1 7 7 LEU HB2 H 1 0.205 0.004 . 2 . . . . A 7 LEU HB2 . 30783 1
52 . 1 . 1 7 7 LEU HB3 H 1 0.436 0.010 . 2 . . . . A 7 LEU HB3 . 30783 1
53 . 1 . 1 7 7 LEU HG H 1 1.373 0.002 . 1 . . . . A 7 LEU HG . 30783 1
54 . 1 . 1 7 7 LEU HD11 H 1 0.523 0.005 . . . . . . A 7 LEU HD11 . 30783 1
55 . 1 . 1 7 7 LEU HD12 H 1 0.523 0.005 . . . . . . A 7 LEU HD12 . 30783 1
56 . 1 . 1 7 7 LEU HD13 H 1 0.523 0.005 . . . . . . A 7 LEU HD13 . 30783 1
57 . 1 . 1 7 7 LEU HD21 H 1 0.438 0.010 . . . . . . A 7 LEU HD21 . 30783 1
58 . 1 . 1 7 7 LEU HD22 H 1 0.438 0.010 . . . . . . A 7 LEU HD22 . 30783 1
59 . 1 . 1 7 7 LEU HD23 H 1 0.438 0.010 . . . . . . A 7 LEU HD23 . 30783 1
60 . 1 . 1 7 7 LEU CA C 13 54.020 0.000 . 1 . . . . A 7 LEU CA . 30783 1
61 . 1 . 1 7 7 LEU CB C 13 43.144 0.007 . 1 . . . . A 7 LEU CB . 30783 1
62 . 1 . 1 7 7 LEU CD1 C 13 21.859 0.000 . 2 . . . . A 7 LEU CD1 . 30783 1
63 . 1 . 1 7 7 LEU CD2 C 13 25.546 0.000 . 2 . . . . A 7 LEU CD2 . 30783 1
64 . 1 . 1 7 7 LEU N N 15 126.881 0.000 . 1 . . . . A 7 LEU N . 30783 1
65 . 1 . 1 8 8 GLY H H 1 5.162 0.004 . 1 . . . . A 8 GLY H . 30783 1
66 . 1 . 1 8 8 GLY HA2 H 1 2.976 0.007 . 2 . . . . A 8 GLY HA2 . 30783 1
67 . 1 . 1 8 8 GLY HA3 H 1 4.103 0.003 . 2 . . . . A 8 GLY HA3 . 30783 1
68 . 1 . 1 8 8 GLY CA C 13 44.183 0.021 . 1 . . . . A 8 GLY CA . 30783 1
69 . 1 . 1 9 9 GLU H H 1 8.603 0.001 . 1 . . . . A 9 GLU H . 30783 1
70 . 1 . 1 9 9 GLU HA H 1 5.375 0.002 . 1 . . . . A 9 GLU HA . 30783 1
71 . 1 . 1 9 9 GLU HB2 H 1 2.005 0.000 . 2 . . . . A 9 GLU HB2 . 30783 1
72 . 1 . 1 9 9 GLU HB3 H 1 2.081 0.004 . 2 . . . . A 9 GLU HB3 . 30783 1
73 . 1 . 1 9 9 GLU HG2 H 1 2.465 0.004 . 2 . . . . A 9 GLU HG2 . 30783 1
74 . 1 . 1 9 9 GLU HG3 H 1 2.465 0.004 . 2 . . . . A 9 GLU HG3 . 30783 1
75 . 1 . 1 9 9 GLU CA C 13 54.351 0.000 . 1 . . . . A 9 GLU CA . 30783 1
76 . 1 . 1 9 9 GLU CB C 13 32.065 0.000 . 1 . . . . A 9 GLU CB . 30783 1
77 . 1 . 1 9 9 GLU CG C 13 33.711 0.000 . 1 . . . . A 9 GLU CG . 30783 1
78 . 1 . 1 9 9 GLU N N 15 117.893 0.000 . 1 . . . . A 9 GLU N . 30783 1
79 . 1 . 1 10 10 ALA H H 1 7.883 0.002 . 1 . . . . A 10 ALA H . 30783 1
80 . 1 . 1 10 10 ALA HA H 1 4.743 0.008 . 1 . . . . A 10 ALA HA . 30783 1
81 . 1 . 1 10 10 ALA HB1 H 1 1.107 0.005 . . . . . . A 10 ALA HB1 . 30783 1
82 . 1 . 1 10 10 ALA HB2 H 1 1.107 0.005 . . . . . . A 10 ALA HB2 . 30783 1
83 . 1 . 1 10 10 ALA HB3 H 1 1.107 0.005 . . . . . . A 10 ALA HB3 . 30783 1
84 . 1 . 1 10 10 ALA CA C 13 49.013 0.000 . 1 . . . . A 10 ALA CA . 30783 1
85 . 1 . 1 10 10 ALA CB C 13 21.008 0.000 . 1 . . . . A 10 ALA CB . 30783 1
86 . 1 . 1 10 10 ALA N N 15 123.601 0.000 . 1 . . . . A 10 ALA N . 30783 1
87 . 1 . 1 11 11 PRO HA H 1 4.473 0.007 . 1 . . . . A 11 PRO HA . 30783 1
88 . 1 . 1 11 11 PRO HB2 H 1 2.045 0.000 . 2 . . . . A 11 PRO HB2 . 30783 1
89 . 1 . 1 11 11 PRO HB3 H 1 2.144 0.000 . 2 . . . . A 11 PRO HB3 . 30783 1
90 . 1 . 1 11 11 PRO HG2 H 1 2.046 0.000 . 2 . . . . A 11 PRO HG2 . 30783 1
91 . 1 . 1 11 11 PRO HG3 H 1 2.144 0.000 . 2 . . . . A 11 PRO HG3 . 30783 1
92 . 1 . 1 11 11 PRO HD2 H 1 3.062 0.006 . 2 . . . . A 11 PRO HD2 . 30783 1
93 . 1 . 1 11 11 PRO HD3 H 1 3.512 0.003 . 2 . . . . A 11 PRO HD3 . 30783 1
94 . 1 . 1 11 11 PRO CA C 13 63.055 0.000 . 1 . . . . A 11 PRO CA . 30783 1
95 . 1 . 1 11 11 PRO CB C 13 30.476 0.009 . 1 . . . . A 11 PRO CB . 30783 1
96 . 1 . 1 11 11 PRO CG C 13 27.496 0.009 . 1 . . . . A 11 PRO CG . 30783 1
97 . 1 . 1 11 11 PRO CD C 13 50.001 0.042 . 1 . . . . A 11 PRO CD . 30783 1
98 . 1 . 1 12 12 VAL H H 1 7.324 0.003 . 1 . . . . A 12 VAL H . 30783 1
99 . 1 . 1 12 12 VAL HA H 1 4.094 0.001 . 1 . . . . A 12 VAL HA . 30783 1
100 . 1 . 1 12 12 VAL HB H 1 2.017 0.006 . 1 . . . . A 12 VAL HB . 30783 1
101 . 1 . 1 12 12 VAL HG11 H 1 0.900 0.007 . . . . . . A 12 VAL HG11 . 30783 1
102 . 1 . 1 12 12 VAL HG12 H 1 0.900 0.007 . . . . . . A 12 VAL HG12 . 30783 1
103 . 1 . 1 12 12 VAL HG13 H 1 0.900 0.007 . . . . . . A 12 VAL HG13 . 30783 1
104 . 1 . 1 12 12 VAL HG21 H 1 0.856 0.004 . . . . . . A 12 VAL HG21 . 30783 1
105 . 1 . 1 12 12 VAL HG22 H 1 0.856 0.004 . . . . . . A 12 VAL HG22 . 30783 1
106 . 1 . 1 12 12 VAL HG23 H 1 0.856 0.004 . . . . . . A 12 VAL HG23 . 30783 1
107 . 1 . 1 12 12 VAL CA C 13 61.721 0.000 . 1 . . . . A 12 VAL CA . 30783 1
108 . 1 . 1 12 12 VAL CB C 13 33.250 0.000 . 1 . . . . A 12 VAL CB . 30783 1
109 . 1 . 1 12 12 VAL CG1 C 13 20.984 0.000 . 2 . . . . A 12 VAL CG1 . 30783 1
110 . 1 . 1 12 12 VAL CG2 C 13 21.847 0.000 . 2 . . . . A 12 VAL CG2 . 30783 1
111 . 1 . 1 12 12 VAL N N 15 124.184 0.000 . 1 . . . . A 12 VAL N . 30783 1
112 . 1 . 1 13 13 TYR H H 1 8.449 0.004 . 1 . . . . A 13 TYR H . 30783 1
113 . 1 . 1 13 13 TYR HA H 1 4.677 0.007 . 1 . . . . A 13 TYR HA . 30783 1
114 . 1 . 1 13 13 TYR HB2 H 1 2.857 0.003 . 2 . . . . A 13 TYR HB2 . 30783 1
115 . 1 . 1 13 13 TYR HB3 H 1 2.857 0.003 . 2 . . . . A 13 TYR HB3 . 30783 1
116 . 1 . 1 13 13 TYR HD1 H 1 7.113 0.004 . 3 . . . . A 13 TYR HD1 . 30783 1
117 . 1 . 1 13 13 TYR HD2 H 1 7.113 0.004 . 3 . . . . A 13 TYR HD2 . 30783 1
118 . 1 . 1 13 13 TYR HE1 H 1 6.805 0.000 . 3 . . . . A 13 TYR HE1 . 30783 1
119 . 1 . 1 13 13 TYR HE2 H 1 6.805 0.000 . 3 . . . . A 13 TYR HE2 . 30783 1
120 . 1 . 1 13 13 TYR CA C 13 55.127 0.000 . 1 . . . . A 13 TYR CA . 30783 1
121 . 1 . 1 13 13 TYR CB C 13 41.273 0.000 . 1 . . . . A 13 TYR CB . 30783 1
122 . 1 . 1 14 14 PRO HA H 1 4.163 0.005 . 1 . . . . A 14 PRO HA . 30783 1
123 . 1 . 1 14 14 PRO HB2 H 1 1.735 0.003 . 2 . . . . A 14 PRO HB2 . 30783 1
124 . 1 . 1 14 14 PRO HB3 H 1 2.137 0.001 . 2 . . . . A 14 PRO HB3 . 30783 1
125 . 1 . 1 14 14 PRO HG2 H 1 1.734 0.002 . 2 . . . . A 14 PRO HG2 . 30783 1
126 . 1 . 1 14 14 PRO HG3 H 1 1.734 0.002 . 2 . . . . A 14 PRO HG3 . 30783 1
127 . 1 . 1 14 14 PRO HD2 H 1 3.337 0.005 . 2 . . . . A 14 PRO HD2 . 30783 1
128 . 1 . 1 14 14 PRO HD3 H 1 3.549 0.002 . 2 . . . . A 14 PRO HD3 . 30783 1
129 . 1 . 1 14 14 PRO CA C 13 62.135 0.000 . 1 . . . . A 14 PRO CA . 30783 1
130 . 1 . 1 14 14 PRO CB C 13 33.999 0.004 . 1 . . . . A 14 PRO CB . 30783 1
131 . 1 . 1 14 14 PRO CG C 13 25.311 0.000 . 1 . . . . A 14 PRO CG . 30783 1
132 . 1 . 1 14 14 PRO CD C 13 49.794 0.015 . 1 . . . . A 14 PRO CD . 30783 1
133 . 1 . 1 15 15 CYS H H 1 9.277 0.001 . 1 . . . . A 15 CYS H . 30783 1
134 . 1 . 1 15 15 CYS HA H 1 4.013 0.003 . 1 . . . . A 15 CYS HA . 30783 1
135 . 1 . 1 15 15 CYS HB2 H 1 2.763 0.006 . 2 . . . . A 15 CYS HB2 . 30783 1
136 . 1 . 1 15 15 CYS HB3 H 1 2.989 0.001 . 2 . . . . A 15 CYS HB3 . 30783 1
137 . 1 . 1 15 15 CYS CA C 13 61.211 0.000 . 1 . . . . A 15 CYS CA . 30783 1
138 . 1 . 1 15 15 CYS CB C 13 41.827 0.000 . 1 . . . . A 15 CYS CB . 30783 1
139 . 1 . 1 15 15 CYS N N 15 122.665 0.000 . 1 . . . . A 15 CYS N . 30783 1
140 . 1 . 1 16 16 LYS H H 1 6.682 0.002 . 1 . . . . A 16 LYS H . 30783 1
141 . 1 . 1 16 16 LYS HA H 1 4.624 0.003 . 1 . . . . A 16 LYS HA . 30783 1
142 . 1 . 1 16 16 LYS HB2 H 1 1.994 0.005 . 2 . . . . A 16 LYS HB2 . 30783 1
143 . 1 . 1 16 16 LYS HB3 H 1 1.994 0.005 . 2 . . . . A 16 LYS HB3 . 30783 1
144 . 1 . 1 16 16 LYS HG2 H 1 1.377 0.007 . 2 . . . . A 16 LYS HG2 . 30783 1
145 . 1 . 1 16 16 LYS HG3 H 1 1.377 0.007 . 2 . . . . A 16 LYS HG3 . 30783 1
146 . 1 . 1 16 16 LYS HD2 H 1 1.686 0.004 . 2 . . . . A 16 LYS HD2 . 30783 1
147 . 1 . 1 16 16 LYS HD3 H 1 1.779 0.007 . 2 . . . . A 16 LYS HD3 . 30783 1
148 . 1 . 1 16 16 LYS HE2 H 1 2.916 0.004 . 2 . . . . A 16 LYS HE2 . 30783 1
149 . 1 . 1 16 16 LYS HE3 H 1 2.916 0.004 . 2 . . . . A 16 LYS HE3 . 30783 1
150 . 1 . 1 16 16 LYS CB C 13 31.397 0.000 . 1 . . . . A 16 LYS CB . 30783 1
151 . 1 . 1 16 16 LYS CG C 13 25.171 0.000 . 1 . . . . A 16 LYS CG . 30783 1
152 . 1 . 1 16 16 LYS CD C 13 28.796 0.027 . 1 . . . . A 16 LYS CD . 30783 1
153 . 1 . 1 16 16 LYS CE C 13 42.092 0.000 . 1 . . . . A 16 LYS CE . 30783 1
154 . 1 . 1 16 16 LYS N N 15 128.176 0.000 . 1 . . . . A 16 LYS N . 30783 1
155 . 1 . 1 17 17 GLU H H 1 9.138 0.001 . 1 . . . . A 17 GLU H . 30783 1
156 . 1 . 1 17 17 GLU HA H 1 3.907 0.001 . 1 . . . . A 17 GLU HA . 30783 1
157 . 1 . 1 17 17 GLU HB2 H 1 2.142 0.002 . 2 . . . . A 17 GLU HB2 . 30783 1
158 . 1 . 1 17 17 GLU HB3 H 1 2.252 0.002 . 2 . . . . A 17 GLU HB3 . 30783 1
159 . 1 . 1 17 17 GLU HG2 H 1 2.520 0.000 . 2 . . . . A 17 GLU HG2 . 30783 1
160 . 1 . 1 17 17 GLU HG3 H 1 2.614 0.001 . 2 . . . . A 17 GLU HG3 . 30783 1
161 . 1 . 1 17 17 GLU CA C 13 60.846 0.000 . 1 . . . . A 17 GLU CA . 30783 1
162 . 1 . 1 17 17 GLU CB C 13 28.392 0.000 . 1 . . . . A 17 GLU CB . 30783 1
163 . 1 . 1 17 17 GLU N N 15 125.260 0.000 . 1 . . . . A 17 GLU N . 30783 1
164 . 1 . 1 18 18 LYS H H 1 8.953 0.001 . 1 . . . . A 18 LYS H . 30783 1
165 . 1 . 1 18 18 LYS HA H 1 3.993 0.003 . 1 . . . . A 18 LYS HA . 30783 1
166 . 1 . 1 18 18 LYS HB2 H 1 1.815 0.000 . 2 . . . . A 18 LYS HB2 . 30783 1
167 . 1 . 1 18 18 LYS HB3 H 1 1.882 0.000 . 2 . . . . A 18 LYS HB3 . 30783 1
168 . 1 . 1 18 18 LYS HG2 H 1 1.421 0.000 . 2 . . . . A 18 LYS HG2 . 30783 1
169 . 1 . 1 18 18 LYS HG3 H 1 1.561 0.000 . 2 . . . . A 18 LYS HG3 . 30783 1
170 . 1 . 1 18 18 LYS HD2 H 1 1.705 0.000 . 2 . . . . A 18 LYS HD2 . 30783 1
171 . 1 . 1 18 18 LYS HD3 H 1 1.705 0.000 . 2 . . . . A 18 LYS HD3 . 30783 1
172 . 1 . 1 18 18 LYS HE2 H 1 3.005 0.000 . 2 . . . . A 18 LYS HE2 . 30783 1
173 . 1 . 1 18 18 LYS HE3 H 1 3.005 0.000 . 2 . . . . A 18 LYS HE3 . 30783 1
174 . 1 . 1 18 18 LYS CA C 13 60.457 0.000 . 1 . . . . A 18 LYS CA . 30783 1
175 . 1 . 1 18 18 LYS CB C 13 31.995 0.051 . 1 . . . . A 18 LYS CB . 30783 1
176 . 1 . 1 18 18 LYS N N 15 118.658 0.000 . 1 . . . . A 18 LYS N . 30783 1
177 . 1 . 1 19 19 ALA H H 1 7.061 0.002 . 1 . . . . A 19 ALA H . 30783 1
178 . 1 . 1 19 19 ALA HA H 1 4.272 0.005 . 1 . . . . A 19 ALA HA . 30783 1
179 . 1 . 1 19 19 ALA HB1 H 1 1.460 0.000 . . . . . . A 19 ALA HB1 . 30783 1
180 . 1 . 1 19 19 ALA HB2 H 1 1.460 0.000 . . . . . . A 19 ALA HB2 . 30783 1
181 . 1 . 1 19 19 ALA HB3 H 1 1.460 0.000 . . . . . . A 19 ALA HB3 . 30783 1
182 . 1 . 1 19 19 ALA CA C 13 54.449 0.000 . 1 . . . . A 19 ALA CA . 30783 1
183 . 1 . 1 19 19 ALA CB C 13 19.142 0.000 . 1 . . . . A 19 ALA CB . 30783 1
184 . 1 . 1 19 19 ALA N N 15 121.049 0.000 . 1 . . . . A 19 ALA N . 30783 1
185 . 1 . 1 20 20 CYS H H 1 8.594 0.000 . 1 . . . . A 20 CYS H . 30783 1
186 . 1 . 1 20 20 CYS HA H 1 4.624 0.002 . 1 . . . . A 20 CYS HA . 30783 1
187 . 1 . 1 20 20 CYS HB2 H 1 2.725 0.010 . 2 . . . . A 20 CYS HB2 . 30783 1
188 . 1 . 1 20 20 CYS HB3 H 1 3.106 0.005 . 2 . . . . A 20 CYS HB3 . 30783 1
189 . 1 . 1 20 20 CYS N N 15 115.578 0.000 . 1 . . . . A 20 CYS N . 30783 1
190 . 1 . 1 21 21 LYS H H 1 8.561 0.002 . 1 . . . . A 21 LYS H . 30783 1
191 . 1 . 1 21 21 LYS HA H 1 3.604 0.001 . 1 . . . . A 21 LYS HA . 30783 1
192 . 1 . 1 21 21 LYS HB2 H 1 2.010 0.003 . 2 . . . . A 21 LYS HB2 . 30783 1
193 . 1 . 1 21 21 LYS HB3 H 1 2.094 0.000 . 2 . . . . A 21 LYS HB3 . 30783 1
194 . 1 . 1 21 21 LYS HG2 H 1 1.379 0.000 . 2 . . . . A 21 LYS HG2 . 30783 1
195 . 1 . 1 21 21 LYS HG3 H 1 1.423 0.000 . 2 . . . . A 21 LYS HG3 . 30783 1
196 . 1 . 1 21 21 LYS HD2 H 1 1.775 0.000 . 2 . . . . A 21 LYS HD2 . 30783 1
197 . 1 . 1 21 21 LYS HD3 H 1 1.832 0.000 . 2 . . . . A 21 LYS HD3 . 30783 1
198 . 1 . 1 21 21 LYS HE2 H 1 2.984 0.001 . 2 . . . . A 21 LYS HE2 . 30783 1
199 . 1 . 1 21 21 LYS HE3 H 1 2.984 0.001 . 2 . . . . A 21 LYS HE3 . 30783 1
200 . 1 . 1 21 21 LYS CA C 13 61.480 0.000 . 1 . . . . A 21 LYS CA . 30783 1
201 . 1 . 1 21 21 LYS CB C 13 31.983 0.000 . 1 . . . . A 21 LYS CB . 30783 1
202 . 1 . 1 21 21 LYS CD C 13 29.534 0.000 . 1 . . . . A 21 LYS CD . 30783 1
203 . 1 . 1 21 21 LYS CE C 13 41.939 0.000 . 1 . . . . A 21 LYS CE . 30783 1
204 . 1 . 1 21 21 LYS N N 15 119.629 0.000 . 1 . . . . A 21 LYS N . 30783 1
205 . 1 . 1 22 22 SER H H 1 7.727 0.002 . 1 . . . . A 22 SER H . 30783 1
206 . 1 . 1 22 22 SER HA H 1 4.160 0.001 . 1 . . . . A 22 SER HA . 30783 1
207 . 1 . 1 22 22 SER HB2 H 1 3.991 0.005 . 2 . . . . A 22 SER HB2 . 30783 1
208 . 1 . 1 22 22 SER HB3 H 1 4.007 0.008 . 2 . . . . A 22 SER HB3 . 30783 1
209 . 1 . 1 22 22 SER CA C 13 62.710 0.000 . 1 . . . . A 22 SER CA . 30783 1
210 . 1 . 1 22 22 SER CB C 13 62.759 0.009 . 1 . . . . A 22 SER CB . 30783 1
211 . 1 . 1 22 22 SER N N 15 112.355 0.000 . 1 . . . . A 22 SER N . 30783 1
212 . 1 . 1 23 23 VAL H H 1 8.811 0.003 . 1 . . . . A 23 VAL H . 30783 1
213 . 1 . 1 23 23 VAL HA H 1 3.927 0.005 . 1 . . . . A 23 VAL HA . 30783 1
214 . 1 . 1 23 23 VAL HB H 1 1.991 0.002 . 1 . . . . A 23 VAL HB . 30783 1
215 . 1 . 1 23 23 VAL HG11 H 1 1.092 0.002 . . . . . . A 23 VAL HG11 . 30783 1
216 . 1 . 1 23 23 VAL HG12 H 1 1.092 0.002 . . . . . . A 23 VAL HG12 . 30783 1
217 . 1 . 1 23 23 VAL HG13 H 1 1.092 0.002 . . . . . . A 23 VAL HG13 . 30783 1
218 . 1 . 1 23 23 VAL HG21 H 1 0.911 0.001 . . . . . . A 23 VAL HG21 . 30783 1
219 . 1 . 1 23 23 VAL HG22 H 1 0.911 0.001 . . . . . . A 23 VAL HG22 . 30783 1
220 . 1 . 1 23 23 VAL HG23 H 1 0.911 0.001 . . . . . . A 23 VAL HG23 . 30783 1
221 . 1 . 1 23 23 VAL CA C 13 66.250 0.000 . 1 . . . . A 23 VAL CA . 30783 1
222 . 1 . 1 23 23 VAL CG1 C 13 22.648 0.000 . 2 . . . . A 23 VAL CG1 . 30783 1
223 . 1 . 1 23 23 VAL CG2 C 13 22.226 0.000 . 2 . . . . A 23 VAL CG2 . 30783 1
224 . 1 . 1 24 24 CYS H H 1 8.818 0.002 . 1 . . . . A 24 CYS H . 30783 1
225 . 1 . 1 24 24 CYS HA H 1 4.407 0.002 . 1 . . . . A 24 CYS HA . 30783 1
226 . 1 . 1 24 24 CYS HB2 H 1 2.505 0.001 . 2 . . . . A 24 CYS HB2 . 30783 1
227 . 1 . 1 24 24 CYS HB3 H 1 3.223 0.001 . 2 . . . . A 24 CYS HB3 . 30783 1
228 . 1 . 1 24 24 CYS CA C 13 59.592 0.000 . 1 . . . . A 24 CYS CA . 30783 1
229 . 1 . 1 24 24 CYS CB C 13 35.698 0.002 . 1 . . . . A 24 CYS CB . 30783 1
230 . 1 . 1 25 25 LYS H H 1 7.653 0.001 . 1 . . . . A 25 LYS H . 30783 1
231 . 1 . 1 25 25 LYS HA H 1 4.319 0.005 . 1 . . . . A 25 LYS HA . 30783 1
232 . 1 . 1 25 25 LYS HB2 H 1 1.875 0.001 . 2 . . . . A 25 LYS HB2 . 30783 1
233 . 1 . 1 25 25 LYS HB3 H 1 1.980 0.003 . 2 . . . . A 25 LYS HB3 . 30783 1
234 . 1 . 1 25 25 LYS HG2 H 1 1.510 0.004 . 2 . . . . A 25 LYS HG2 . 30783 1
235 . 1 . 1 25 25 LYS HG3 H 1 1.642 0.000 . 2 . . . . A 25 LYS HG3 . 30783 1
236 . 1 . 1 25 25 LYS HE2 H 1 2.988 0.000 . 2 . . . . A 25 LYS HE2 . 30783 1
237 . 1 . 1 25 25 LYS HE3 H 1 2.988 0.000 . 2 . . . . A 25 LYS HE3 . 30783 1
238 . 1 . 1 25 25 LYS CA C 13 58.683 0.000 . 1 . . . . A 25 LYS CA . 30783 1
239 . 1 . 1 25 25 LYS CB C 13 32.187 0.000 . 1 . . . . A 25 LYS CB . 30783 1
240 . 1 . 1 25 25 LYS CG C 13 25.572 0.000 . 1 . . . . A 25 LYS CG . 30783 1
241 . 1 . 1 25 25 LYS N N 15 118.005 0.000 . 1 . . . . A 25 LYS N . 30783 1
242 . 1 . 1 26 26 GLU H H 1 7.549 0.001 . 1 . . . . A 26 GLU H . 30783 1
243 . 1 . 1 26 26 GLU HA H 1 4.125 0.006 . 1 . . . . A 26 GLU HA . 30783 1
244 . 1 . 1 26 26 GLU HB2 H 1 2.150 0.005 . 2 . . . . A 26 GLU HB2 . 30783 1
245 . 1 . 1 26 26 GLU HB3 H 1 2.223 0.001 . 2 . . . . A 26 GLU HB3 . 30783 1
246 . 1 . 1 26 26 GLU HG2 H 1 2.400 0.012 . 2 . . . . A 26 GLU HG2 . 30783 1
247 . 1 . 1 26 26 GLU HG3 H 1 2.596 0.007 . 2 . . . . A 26 GLU HG3 . 30783 1
248 . 1 . 1 26 26 GLU CA C 13 57.716 0.000 . 1 . . . . A 26 GLU CA . 30783 1
249 . 1 . 1 26 26 GLU CB C 13 28.443 0.000 . 1 . . . . A 26 GLU CB . 30783 1
250 . 1 . 1 26 26 GLU CG C 13 33.249 0.068 . 1 . . . . A 26 GLU CG . 30783 1
251 . 1 . 1 26 26 GLU N N 15 116.524 0.000 . 1 . . . . A 26 GLU N . 30783 1
252 . 1 . 1 27 27 HIS H H 1 7.861 0.003 . 1 . . . . A 27 HIS H . 30783 1
253 . 1 . 1 27 27 HIS HA H 1 4.171 0.005 . 1 . . . . A 27 HIS HA . 30783 1
254 . 1 . 1 27 27 HIS HB2 H 1 2.546 0.004 . 2 . . . . A 27 HIS HB2 . 30783 1
255 . 1 . 1 27 27 HIS HB3 H 1 2.784 0.004 . 2 . . . . A 27 HIS HB3 . 30783 1
256 . 1 . 1 27 27 HIS HD2 H 1 6.989 0.001 . 1 . . . . A 27 HIS HD2 . 30783 1
257 . 1 . 1 27 27 HIS HE1 H 1 8.642 0.000 . 1 . . . . A 27 HIS HE1 . 30783 1
258 . 1 . 1 27 27 HIS CA C 13 57.254 0.000 . 1 . . . . A 27 HIS CA . 30783 1
259 . 1 . 1 27 27 HIS CB C 13 29.863 0.010 . 1 . . . . A 27 HIS CB . 30783 1
260 . 1 . 1 27 27 HIS N N 15 114.596 0.000 . 1 . . . . A 27 HIS N . 30783 1
261 . 1 . 1 28 28 TYR H H 1 8.433 0.001 . 1 . . . . A 28 TYR H . 30783 1
262 . 1 . 1 28 28 TYR HA H 1 4.651 0.002 . 1 . . . . A 28 TYR HA . 30783 1
263 . 1 . 1 28 28 TYR HB2 H 1 2.825 0.008 . 2 . . . . A 28 TYR HB2 . 30783 1
264 . 1 . 1 28 28 TYR HB3 H 1 2.960 0.004 . 2 . . . . A 28 TYR HB3 . 30783 1
265 . 1 . 1 28 28 TYR HD1 H 1 7.193 0.002 . 3 . . . . A 28 TYR HD1 . 30783 1
266 . 1 . 1 28 28 TYR HD2 H 1 7.193 0.002 . 3 . . . . A 28 TYR HD2 . 30783 1
267 . 1 . 1 28 28 TYR HE1 H 1 6.490 0.000 . 3 . . . . A 28 TYR HE1 . 30783 1
268 . 1 . 1 28 28 TYR HE2 H 1 6.490 0.000 . 3 . . . . A 28 TYR HE2 . 30783 1
269 . 1 . 1 29 29 HIS H H 1 8.801 0.003 . 1 . . . . A 29 HIS H . 30783 1
270 . 1 . 1 29 29 HIS HA H 1 4.633 0.005 . 1 . . . . A 29 HIS HA . 30783 1
271 . 1 . 1 29 29 HIS HB2 H 1 3.048 0.003 . 2 . . . . A 29 HIS HB2 . 30783 1
272 . 1 . 1 29 29 HIS HB3 H 1 3.048 0.003 . 2 . . . . A 29 HIS HB3 . 30783 1
273 . 1 . 1 29 29 HIS HD2 H 1 7.202 0.000 . 1 . . . . A 29 HIS HD2 . 30783 1
274 . 1 . 1 29 29 HIS HE1 H 1 8.594 0.000 . 1 . . . . A 29 HIS HE1 . 30783 1
275 . 1 . 1 29 29 HIS CB C 13 28.098 0.000 . 1 . . . . A 29 HIS CB . 30783 1
276 . 1 . 1 29 29 HIS N N 15 119.998 0.000 . 1 . . . . A 29 HIS N . 30783 1
277 . 1 . 1 30 30 HIS H H 1 8.992 0.002 . 1 . . . . A 30 HIS H . 30783 1
278 . 1 . 1 30 30 HIS HA H 1 4.810 0.006 . 1 . . . . A 30 HIS HA . 30783 1
279 . 1 . 1 30 30 HIS HB2 H 1 3.166 0.002 . 2 . . . . A 30 HIS HB2 . 30783 1
280 . 1 . 1 30 30 HIS HB3 H 1 3.558 0.004 . 2 . . . . A 30 HIS HB3 . 30783 1
281 . 1 . 1 30 30 HIS HD2 H 1 7.278 0.009 . 1 . . . . A 30 HIS HD2 . 30783 1
282 . 1 . 1 30 30 HIS HE1 H 1 8.638 0.000 . 1 . . . . A 30 HIS HE1 . 30783 1
283 . 1 . 1 30 30 HIS CA C 13 58.699 0.000 . 1 . . . . A 30 HIS CA . 30783 1
284 . 1 . 1 30 30 HIS CB C 13 27.494 0.009 . 1 . . . . A 30 HIS CB . 30783 1
285 . 1 . 1 30 30 HIS N N 15 114.472 0.000 . 1 . . . . A 30 HIS N . 30783 1
286 . 1 . 1 31 31 ALA H H 1 8.115 0.002 . 1 . . . . A 31 ALA H . 30783 1
287 . 1 . 1 31 31 ALA HA H 1 4.411 0.002 . 1 . . . . A 31 ALA HA . 30783 1
288 . 1 . 1 31 31 ALA HB1 H 1 1.342 0.000 . . . . . . A 31 ALA HB1 . 30783 1
289 . 1 . 1 31 31 ALA HB2 H 1 1.342 0.000 . . . . . . A 31 ALA HB2 . 30783 1
290 . 1 . 1 31 31 ALA HB3 H 1 1.342 0.000 . . . . . . A 31 ALA HB3 . 30783 1
291 . 1 . 1 31 31 ALA CA C 13 53.350 0.000 . 1 . . . . A 31 ALA CA . 30783 1
292 . 1 . 1 31 31 ALA CB C 13 18.820 0.000 . 1 . . . . A 31 ALA CB . 30783 1
293 . 1 . 1 31 31 ALA N N 15 122.241 0.000 . 1 . . . . A 31 ALA N . 30783 1
294 . 1 . 1 32 32 CYS H H 1 9.662 0.001 . 1 . . . . A 32 CYS H . 30783 1
295 . 1 . 1 32 32 CYS HA H 1 5.020 0.003 . 1 . . . . A 32 CYS HA . 30783 1
296 . 1 . 1 32 32 CYS HB2 H 1 3.164 0.004 . 2 . . . . A 32 CYS HB2 . 30783 1
297 . 1 . 1 32 32 CYS HB3 H 1 3.647 0.000 . 2 . . . . A 32 CYS HB3 . 30783 1
298 . 1 . 1 32 32 CYS CA C 13 54.220 0.000 . 1 . . . . A 32 CYS CA . 30783 1
299 . 1 . 1 32 32 CYS CB C 13 42.926 0.037 . 1 . . . . A 32 CYS CB . 30783 1
300 . 1 . 1 32 32 CYS N N 15 115.952 0.000 . 1 . . . . A 32 CYS N . 30783 1
301 . 1 . 1 33 33 LYS H H 1 8.019 0.001 . 1 . . . . A 33 LYS H . 30783 1
302 . 1 . 1 33 33 LYS HA H 1 4.644 0.003 . 1 . . . . A 33 LYS HA . 30783 1
303 . 1 . 1 33 33 LYS HB2 H 1 1.928 0.000 . 2 . . . . A 33 LYS HB2 . 30783 1
304 . 1 . 1 33 33 LYS HB3 H 1 2.108 0.000 . 2 . . . . A 33 LYS HB3 . 30783 1
305 . 1 . 1 33 33 LYS HG2 H 1 1.338 0.000 . 2 . . . . A 33 LYS HG2 . 30783 1
306 . 1 . 1 33 33 LYS HG3 H 1 1.516 0.000 . 2 . . . . A 33 LYS HG3 . 30783 1
307 . 1 . 1 33 33 LYS HE2 H 1 2.573 0.000 . 2 . . . . A 33 LYS HE2 . 30783 1
308 . 1 . 1 33 33 LYS HE3 H 1 2.751 0.000 . 2 . . . . A 33 LYS HE3 . 30783 1
309 . 1 . 1 33 33 LYS CB C 13 35.781 0.034 . 1 . . . . A 33 LYS CB . 30783 1
310 . 1 . 1 33 33 LYS CG C 13 25.486 0.000 . 1 . . . . A 33 LYS CG . 30783 1
311 . 1 . 1 33 33 LYS CE C 13 41.653 0.019 . 1 . . . . A 33 LYS CE . 30783 1
312 . 1 . 1 33 33 LYS N N 15 119.120 0.000 . 1 . . . . A 33 LYS N . 30783 1
313 . 1 . 1 34 34 GLY H H 1 8.078 0.003 . 1 . . . . A 34 GLY H . 30783 1
314 . 1 . 1 34 34 GLY HA2 H 1 3.433 0.004 . 2 . . . . A 34 GLY HA2 . 30783 1
315 . 1 . 1 34 34 GLY HA3 H 1 5.612 0.011 . 2 . . . . A 34 GLY HA3 . 30783 1
316 . 1 . 1 34 34 GLY CA C 13 46.500 0.011 . 1 . . . . A 34 GLY CA . 30783 1
317 . 1 . 1 34 34 GLY N N 15 110.558 0.000 . 1 . . . . A 34 GLY N . 30783 1
318 . 1 . 1 35 35 GLU H H 1 9.375 0.001 . 1 . . . . A 35 GLU H . 30783 1
319 . 1 . 1 35 35 GLU HA H 1 4.911 0.008 . 1 . . . . A 35 GLU HA . 30783 1
320 . 1 . 1 35 35 GLU HB2 H 1 2.031 0.007 . 2 . . . . A 35 GLU HB2 . 30783 1
321 . 1 . 1 35 35 GLU HB3 H 1 2.265 0.015 . 2 . . . . A 35 GLU HB3 . 30783 1
322 . 1 . 1 35 35 GLU HG2 H 1 2.299 0.013 . 2 . . . . A 35 GLU HG2 . 30783 1
323 . 1 . 1 35 35 GLU HG3 H 1 2.475 0.007 . 2 . . . . A 35 GLU HG3 . 30783 1
324 . 1 . 1 35 35 GLU CA C 13 54.035 0.000 . 1 . . . . A 35 GLU CA . 30783 1
325 . 1 . 1 35 35 GLU CB C 13 33.191 0.000 . 1 . . . . A 35 GLU CB . 30783 1
326 . 1 . 1 35 35 GLU CG C 13 32.812 0.008 . 1 . . . . A 35 GLU CG . 30783 1
327 . 1 . 1 35 35 GLU N N 15 122.401 0.000 . 1 . . . . A 35 GLU N . 30783 1
328 . 1 . 1 36 36 CYS H H 1 9.180 0.001 . 1 . . . . A 36 CYS H . 30783 1
329 . 1 . 1 36 36 CYS HA H 1 5.014 0.004 . 1 . . . . A 36 CYS HA . 30783 1
330 . 1 . 1 36 36 CYS HB2 H 1 2.642 0.006 . 2 . . . . A 36 CYS HB2 . 30783 1
331 . 1 . 1 36 36 CYS HB3 H 1 2.920 0.004 . 2 . . . . A 36 CYS HB3 . 30783 1
332 . 1 . 1 36 36 CYS CB C 13 40.264 0.025 . 1 . . . . A 36 CYS CB . 30783 1
333 . 1 . 1 37 37 GLU H H 1 8.779 0.003 . 1 . . . . A 37 GLU H . 30783 1
334 . 1 . 1 37 37 GLU HA H 1 4.746 0.006 . 1 . . . . A 37 GLU HA . 30783 1
335 . 1 . 1 37 37 GLU HB2 H 1 1.372 0.003 . 2 . . . . A 37 GLU HB2 . 30783 1
336 . 1 . 1 37 37 GLU HB3 H 1 1.951 0.000 . 2 . . . . A 37 GLU HB3 . 30783 1
337 . 1 . 1 37 37 GLU HG2 H 1 2.236 0.004 . 2 . . . . A 37 GLU HG2 . 30783 1
338 . 1 . 1 37 37 GLU HG3 H 1 2.236 0.004 . 2 . . . . A 37 GLU HG3 . 30783 1
339 . 1 . 1 37 37 GLU CA C 13 54.533 0.000 . 1 . . . . A 37 GLU CA . 30783 1
340 . 1 . 1 37 37 GLU CB C 13 32.335 0.000 . 1 . . . . A 37 GLU CB . 30783 1
341 . 1 . 1 37 37 GLU CG C 13 34.705 0.000 . 1 . . . . A 37 GLU CG . 30783 1
342 . 1 . 1 37 37 GLU N N 15 124.230 0.000 . 1 . . . . A 37 GLU N . 30783 1
343 . 1 . 1 38 38 TYR H H 1 9.148 0.003 . 1 . . . . A 38 TYR H . 30783 1
344 . 1 . 1 38 38 TYR HA H 1 4.819 0.011 . 1 . . . . A 38 TYR HA . 30783 1
345 . 1 . 1 38 38 TYR HB2 H 1 2.881 0.016 . 2 . . . . A 38 TYR HB2 . 30783 1
346 . 1 . 1 38 38 TYR HB3 H 1 3.018 0.008 . 2 . . . . A 38 TYR HB3 . 30783 1
347 . 1 . 1 38 38 TYR HD1 H 1 7.061 0.004 . 3 . . . . A 38 TYR HD1 . 30783 1
348 . 1 . 1 38 38 TYR HD2 H 1 7.061 0.004 . 3 . . . . A 38 TYR HD2 . 30783 1
349 . 1 . 1 38 38 TYR HE1 H 1 6.742 0.002 . 3 . . . . A 38 TYR HE1 . 30783 1
350 . 1 . 1 38 38 TYR HE2 H 1 6.742 0.002 . 3 . . . . A 38 TYR HE2 . 30783 1
351 . 1 . 1 38 38 TYR CA C 13 54.596 0.000 . 1 . . . . A 38 TYR CA . 30783 1
352 . 1 . 1 38 38 TYR CB C 13 39.520 0.002 . 1 . . . . A 38 TYR CB . 30783 1
353 . 1 . 1 38 38 TYR N N 15 124.944 0.000 . 1 . . . . A 38 TYR N . 30783 1
354 . 1 . 1 39 39 HIS H H 1 8.822 0.003 . 1 . . . . A 39 HIS H . 30783 1
355 . 1 . 1 39 39 HIS HA H 1 4.720 0.004 . 1 . . . . A 39 HIS HA . 30783 1
356 . 1 . 1 39 39 HIS HB2 H 1 3.077 0.004 . 2 . . . . A 39 HIS HB2 . 30783 1
357 . 1 . 1 39 39 HIS HB3 H 1 3.159 0.000 . 2 . . . . A 39 HIS HB3 . 30783 1
358 . 1 . 1 39 39 HIS CA C 13 55.538 0.000 . 1 . . . . A 39 HIS CA . 30783 1
359 . 1 . 1 39 39 HIS CB C 13 29.709 0.000 . 1 . . . . A 39 HIS CB . 30783 1
360 . 1 . 1 40 40 GLY H H 1 9.040 0.001 . 1 . . . . A 40 GLY H . 30783 1
361 . 1 . 1 40 40 GLY HA2 H 1 3.647 0.002 . 2 . . . . A 40 GLY HA2 . 30783 1
362 . 1 . 1 40 40 GLY HA3 H 1 4.007 0.001 . 2 . . . . A 40 GLY HA3 . 30783 1
363 . 1 . 1 40 40 GLY CA C 13 46.830 0.015 . 1 . . . . A 40 GLY CA . 30783 1
364 . 1 . 1 40 40 GLY N N 15 117.091 0.000 . 1 . . . . A 40 GLY N . 30783 1
365 . 1 . 1 41 41 ARG H H 1 8.827 0.003 . 1 . . . . A 41 ARG H . 30783 1
366 . 1 . 1 41 41 ARG HA H 1 4.374 0.005 . 1 . . . . A 41 ARG HA . 30783 1
367 . 1 . 1 41 41 ARG HB2 H 1 1.868 0.008 . 2 . . . . A 41 ARG HB2 . 30783 1
368 . 1 . 1 41 41 ARG HB3 H 1 2.095 0.008 . 2 . . . . A 41 ARG HB3 . 30783 1
369 . 1 . 1 41 41 ARG HG2 H 1 1.693 0.005 . 2 . . . . A 41 ARG HG2 . 30783 1
370 . 1 . 1 41 41 ARG HG3 H 1 1.693 0.005 . 2 . . . . A 41 ARG HG3 . 30783 1
371 . 1 . 1 41 41 ARG HD2 H 1 3.244 0.006 . 2 . . . . A 41 ARG HD2 . 30783 1
372 . 1 . 1 41 41 ARG HD3 H 1 3.244 0.006 . 2 . . . . A 41 ARG HD3 . 30783 1
373 . 1 . 1 41 41 ARG HE H 1 7.211 0.001 . 1 . . . . A 41 ARG HE . 30783 1
374 . 1 . 1 41 41 ARG CA C 13 56.527 0.000 . 1 . . . . A 41 ARG CA . 30783 1
375 . 1 . 1 41 41 ARG CB C 13 30.279 0.010 . 1 . . . . A 41 ARG CB . 30783 1
376 . 1 . 1 41 41 ARG CG C 13 27.375 0.000 . 1 . . . . A 41 ARG CG . 30783 1
377 . 1 . 1 41 41 ARG CD C 13 43.172 0.000 . 1 . . . . A 41 ARG CD . 30783 1
378 . 1 . 1 42 42 GLU H H 1 7.706 0.003 . 1 . . . . A 42 GLU H . 30783 1
379 . 1 . 1 42 42 GLU HA H 1 4.656 0.005 . 1 . . . . A 42 GLU HA . 30783 1
380 . 1 . 1 42 42 GLU HB2 H 1 2.053 0.006 . 2 . . . . A 42 GLU HB2 . 30783 1
381 . 1 . 1 42 42 GLU HB3 H 1 2.122 0.002 . 2 . . . . A 42 GLU HB3 . 30783 1
382 . 1 . 1 42 42 GLU HG2 H 1 2.427 0.002 . 2 . . . . A 42 GLU HG2 . 30783 1
383 . 1 . 1 42 42 GLU HG3 H 1 2.427 0.002 . 2 . . . . A 42 GLU HG3 . 30783 1
384 . 1 . 1 42 42 GLU CB C 13 31.531 0.000 . 1 . . . . A 42 GLU CB . 30783 1
385 . 1 . 1 42 42 GLU CG C 13 34.779 0.000 . 1 . . . . A 42 GLU CG . 30783 1
386 . 1 . 1 42 42 GLU N N 15 117.713 0.000 . 1 . . . . A 42 GLU N . 30783 1
387 . 1 . 1 43 43 VAL H H 1 8.464 0.002 . 1 . . . . A 43 VAL H . 30783 1
388 . 1 . 1 43 43 VAL HA H 1 4.404 0.003 . 1 . . . . A 43 VAL HA . 30783 1
389 . 1 . 1 43 43 VAL HB H 1 1.633 0.002 . 1 . . . . A 43 VAL HB . 30783 1
390 . 1 . 1 43 43 VAL HG11 H 1 0.723 0.001 . . . . . . A 43 VAL HG11 . 30783 1
391 . 1 . 1 43 43 VAL HG12 H 1 0.723 0.001 . . . . . . A 43 VAL HG12 . 30783 1
392 . 1 . 1 43 43 VAL HG13 H 1 0.723 0.001 . . . . . . A 43 VAL HG13 . 30783 1
393 . 1 . 1 43 43 VAL HG21 H 1 0.514 0.009 . . . . . . A 43 VAL HG21 . 30783 1
394 . 1 . 1 43 43 VAL HG22 H 1 0.514 0.009 . . . . . . A 43 VAL HG22 . 30783 1
395 . 1 . 1 43 43 VAL HG23 H 1 0.514 0.009 . . . . . . A 43 VAL HG23 . 30783 1
396 . 1 . 1 43 43 VAL CA C 13 60.663 0.000 . 1 . . . . A 43 VAL CA . 30783 1
397 . 1 . 1 43 43 VAL CB C 13 33.021 0.000 . 1 . . . . A 43 VAL CB . 30783 1
398 . 1 . 1 43 43 VAL CG1 C 13 21.263 0.000 . 2 . . . . A 43 VAL CG1 . 30783 1
399 . 1 . 1 43 43 VAL CG2 C 13 21.870 0.000 . 2 . . . . A 43 VAL CG2 . 30783 1
400 . 1 . 1 43 43 VAL N N 15 122.053 0.000 . 1 . . . . A 43 VAL N . 30783 1
401 . 1 . 1 44 44 HIS H H 1 8.542 0.000 . 1 . . . . A 44 HIS H . 30783 1
402 . 1 . 1 44 44 HIS HA H 1 5.060 0.002 . 1 . . . . A 44 HIS HA . 30783 1
403 . 1 . 1 44 44 HIS HB2 H 1 2.773 0.002 . 2 . . . . A 44 HIS HB2 . 30783 1
404 . 1 . 1 44 44 HIS HB3 H 1 3.082 0.003 . 2 . . . . A 44 HIS HB3 . 30783 1
405 . 1 . 1 44 44 HIS HD2 H 1 7.308 0.001 . 1 . . . . A 44 HIS HD2 . 30783 1
406 . 1 . 1 44 44 HIS HE1 H 1 8.632 0.000 . 1 . . . . A 44 HIS HE1 . 30783 1
407 . 1 . 1 44 44 HIS CA C 13 53.638 0.000 . 1 . . . . A 44 HIS CA . 30783 1
408 . 1 . 1 44 44 HIS CB C 13 33.103 0.009 . 1 . . . . A 44 HIS CB . 30783 1
409 . 1 . 1 45 45 CYS H H 1 9.497 0.001 . 1 . . . . A 45 CYS H . 30783 1
410 . 1 . 1 45 45 CYS HA H 1 4.984 0.001 . 1 . . . . A 45 CYS HA . 30783 1
411 . 1 . 1 45 45 CYS HB2 H 1 3.097 0.008 . 2 . . . . A 45 CYS HB2 . 30783 1
412 . 1 . 1 45 45 CYS HB3 H 1 3.542 0.003 . 2 . . . . A 45 CYS HB3 . 30783 1
413 . 1 . 1 45 45 CYS CB C 13 36.511 0.023 . 1 . . . . A 45 CYS CB . 30783 1
414 . 1 . 1 45 45 CYS N N 15 124.005 0.000 . 1 . . . . A 45 CYS N . 30783 1
415 . 1 . 1 46 46 HIS H H 1 9.673 0.001 . 1 . . . . A 46 HIS H . 30783 1
416 . 1 . 1 46 46 HIS HA H 1 5.041 0.001 . 1 . . . . A 46 HIS HA . 30783 1
417 . 1 . 1 46 46 HIS HB2 H 1 2.895 0.006 . 2 . . . . A 46 HIS HB2 . 30783 1
418 . 1 . 1 46 46 HIS HB3 H 1 3.710 0.006 . 2 . . . . A 46 HIS HB3 . 30783 1
419 . 1 . 1 46 46 HIS HD2 H 1 7.146 0.003 . 1 . . . . A 46 HIS HD2 . 30783 1
420 . 1 . 1 46 46 HIS CA C 13 54.103 0.000 . 1 . . . . A 46 HIS CA . 30783 1
421 . 1 . 1 46 46 HIS CB C 13 32.585 0.028 . 1 . . . . A 46 HIS CB . 30783 1
422 . 1 . 1 46 46 HIS N N 15 128.615 0.000 . 1 . . . . A 46 HIS N . 30783 1
423 . 1 . 1 47 47 CYS H H 1 8.526 0.004 . 1 . . . . A 47 CYS H . 30783 1
424 . 1 . 1 47 47 CYS HA H 1 5.520 0.001 . 1 . . . . A 47 CYS HA . 30783 1
425 . 1 . 1 47 47 CYS HB2 H 1 2.103 0.001 . 2 . . . . A 47 CYS HB2 . 30783 1
426 . 1 . 1 47 47 CYS HB3 H 1 2.583 0.005 . 2 . . . . A 47 CYS HB3 . 30783 1
427 . 1 . 1 47 47 CYS CA C 13 51.945 0.000 . 1 . . . . A 47 CYS CA . 30783 1
428 . 1 . 1 47 47 CYS CB C 13 37.418 0.005 . 1 . . . . A 47 CYS CB . 30783 1
429 . 1 . 1 47 47 CYS N N 15 119.823 0.000 . 1 . . . . A 47 CYS N . 30783 1
430 . 1 . 1 48 48 TYR H H 1 8.875 0.001 . 1 . . . . A 48 TYR H . 30783 1
431 . 1 . 1 48 48 TYR HA H 1 5.250 0.003 . 1 . . . . A 48 TYR HA . 30783 1
432 . 1 . 1 48 48 TYR HB2 H 1 2.656 0.004 . 2 . . . . A 48 TYR HB2 . 30783 1
433 . 1 . 1 48 48 TYR HB3 H 1 2.790 0.004 . 2 . . . . A 48 TYR HB3 . 30783 1
434 . 1 . 1 48 48 TYR HD1 H 1 6.743 0.002 . 3 . . . . A 48 TYR HD1 . 30783 1
435 . 1 . 1 48 48 TYR HD2 H 1 6.743 0.002 . 3 . . . . A 48 TYR HD2 . 30783 1
436 . 1 . 1 48 48 TYR HE1 H 1 6.842 0.000 . 3 . . . . A 48 TYR HE1 . 30783 1
437 . 1 . 1 48 48 TYR HE2 H 1 6.842 0.000 . 3 . . . . A 48 TYR HE2 . 30783 1
438 . 1 . 1 48 48 TYR CA C 13 57.129 0.000 . 1 . . . . A 48 TYR CA . 30783 1
439 . 1 . 1 48 48 TYR CB C 13 43.472 0.007 . 1 . . . . A 48 TYR CB . 30783 1
440 . 1 . 1 48 48 TYR N N 15 120.732 0.000 . 1 . . . . A 48 TYR N . 30783 1
441 . 1 . 1 49 49 GLY H H 1 9.601 0.003 . 1 . . . . A 49 GLY H . 30783 1
442 . 1 . 1 49 49 GLY HA2 H 1 3.962 0.002 . 2 . . . . A 49 GLY HA2 . 30783 1
443 . 1 . 1 49 49 GLY HA3 H 1 5.304 0.003 . 2 . . . . A 49 GLY HA3 . 30783 1
444 . 1 . 1 49 49 GLY CA C 13 45.083 0.000 . 1 . . . . A 49 GLY CA . 30783 1
445 . 1 . 1 49 49 GLY N N 15 109.934 0.000 . 1 . . . . A 49 GLY N . 30783 1
446 . 1 . 1 50 50 ASP H H 1 8.644 0.004 . 1 . . . . A 50 ASP H . 30783 1
447 . 1 . 1 50 50 ASP HA H 1 5.216 0.004 . 1 . . . . A 50 ASP HA . 30783 1
448 . 1 . 1 50 50 ASP HB2 H 1 2.770 0.004 . 2 . . . . A 50 ASP HB2 . 30783 1
449 . 1 . 1 50 50 ASP HB3 H 1 2.846 0.003 . 2 . . . . A 50 ASP HB3 . 30783 1
450 . 1 . 1 50 50 ASP CA C 13 53.151 0.000 . 1 . . . . A 50 ASP CA . 30783 1
451 . 1 . 1 50 50 ASP CB C 13 41.078 0.000 . 1 . . . . A 50 ASP CB . 30783 1
452 . 1 . 1 50 50 ASP N N 15 118.966 0.000 . 1 . . . . A 50 ASP N . 30783 1
453 . 1 . 1 51 51 TYR H H 1 8.452 0.004 . 1 . . . . A 51 TYR H . 30783 1
454 . 1 . 1 51 51 TYR HA H 1 4.376 0.006 . 1 . . . . A 51 TYR HA . 30783 1
455 . 1 . 1 51 51 TYR HB2 H 1 2.742 0.004 . 2 . . . . A 51 TYR HB2 . 30783 1
456 . 1 . 1 51 51 TYR HB3 H 1 2.903 0.003 . 2 . . . . A 51 TYR HB3 . 30783 1
457 . 1 . 1 51 51 TYR HD1 H 1 6.941 0.004 . 3 . . . . A 51 TYR HD1 . 30783 1
458 . 1 . 1 51 51 TYR HD2 H 1 6.941 0.004 . 3 . . . . A 51 TYR HD2 . 30783 1
459 . 1 . 1 51 51 TYR HE1 H 1 6.652 0.000 . 3 . . . . A 51 TYR HE1 . 30783 1
460 . 1 . 1 51 51 TYR HE2 H 1 6.652 0.000 . 3 . . . . A 51 TYR HE2 . 30783 1
461 . 1 . 1 51 51 TYR CA C 13 58.297 0.000 . 1 . . . . A 51 TYR CA . 30783 1
462 . 1 . 1 51 51 TYR CB C 13 39.337 0.005 . 1 . . . . A 51 TYR CB . 30783 1
463 . 1 . 1 52 52 HIS H H 1 7.959 0.001 . 1 . . . . A 52 HIS H . 30783 1
464 . 1 . 1 52 52 HIS HA H 1 4.272 0.001 . 1 . . . . A 52 HIS HA . 30783 1
465 . 1 . 1 52 52 HIS HB2 H 1 3.047 0.005 . 2 . . . . A 52 HIS HB2 . 30783 1
466 . 1 . 1 52 52 HIS HB3 H 1 3.157 0.004 . 2 . . . . A 52 HIS HB3 . 30783 1
467 . 1 . 1 52 52 HIS HD2 H 1 7.138 0.000 . 1 . . . . A 52 HIS HD2 . 30783 1
468 . 1 . 1 52 52 HIS CA C 13 56.462 0.000 . 1 . . . . A 52 HIS CA . 30783 1
469 . 1 . 1 52 52 HIS CB C 13 29.570 0.018 . 1 . . . . A 52 HIS CB . 30783 1
470 . 1 . 1 52 52 HIS N N 15 122.946 0.000 . 1 . . . . A 52 HIS N . 30783 1
stop_
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