Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 25008
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 25008 1
2 '3D HNCACB' . . . 25008 1
3 '3D CBCA(CO)NH' . . . 25008 1
4 '3D HCCH-TOCSY' . . . 25008 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 VAL HA H 1 3.923 0.004 . 1 . . . A 1 VAL HA . 25008 1
2 . 1 1 1 1 VAL HB H 1 1.765 0.002 . 1 . . . A 1 VAL HB . 25008 1
3 . 1 1 1 1 VAL HG11 H 1 0.431 0.003 . 1 . . . A 1 VAL HG11 . 25008 1
4 . 1 1 1 1 VAL HG12 H 1 0.431 0.003 . 1 . . . A 1 VAL HG12 . 25008 1
5 . 1 1 1 1 VAL HG13 H 1 0.431 0.003 . 1 . . . A 1 VAL HG13 . 25008 1
6 . 1 1 1 1 VAL HG21 H 1 0.669 0.005 . 1 . . . A 1 VAL HG21 . 25008 1
7 . 1 1 1 1 VAL HG22 H 1 0.669 0.005 . 1 . . . A 1 VAL HG22 . 25008 1
8 . 1 1 1 1 VAL HG23 H 1 0.669 0.005 . 1 . . . A 1 VAL HG23 . 25008 1
9 . 1 1 1 1 VAL H H 1 7.819 0.002 . 1 . . . A 1 VAL H1 . 25008 1
10 . 1 1 1 1 VAL CG1 C 13 21.002 0.000 . 1 . . . A 1 VAL CG1 . 25008 1
11 . 1 1 1 1 VAL CG2 C 13 21.103 0.000 . 1 . . . A 1 VAL CG2 . 25008 1
12 . 1 1 1 1 VAL N N 15 120.883 0.025 . 1 . . . A 1 VAL N . 25008 1
13 . 1 1 2 2 HIS H H 1 8.415 0.003 . 1 . . . A 2 HIS H . 25008 1
14 . 1 1 2 2 HIS HA H 1 4.747 0.009 . 1 . . . A 2 HIS HA . 25008 1
15 . 1 1 2 2 HIS HB2 H 1 3.058 0.001 . 2 . . . A 2 HIS HB2 . 25008 1
16 . 1 1 2 2 HIS HB3 H 1 2.777 0.011 . 2 . . . A 2 HIS HB3 . 25008 1
17 . 1 1 2 2 HIS HD2 H 1 6.991 0.000 . 1 . . . A 2 HIS HD2 . 25008 1
18 . 1 1 2 2 HIS CB C 13 33.018 0.000 . 1 . . . A 2 HIS CB . 25008 1
19 . 1 1 2 2 HIS N N 15 124.505 0.014 . 1 . . . A 2 HIS N . 25008 1
20 . 1 1 3 3 PHE H H 1 8.744 0.008 . 1 . . . A 3 PHE H . 25008 1
21 . 1 1 3 3 PHE HA H 1 4.677 0.002 . 1 . . . A 3 PHE HA . 25008 1
22 . 1 1 3 3 PHE HB2 H 1 2.694 0.015 . 2 . . . A 3 PHE HB2 . 25008 1
23 . 1 1 3 3 PHE HB3 H 1 2.571 0.001 . 2 . . . A 3 PHE HB3 . 25008 1
24 . 1 1 3 3 PHE HD1 H 1 7.123 0.001 . 3 . . . A 3 PHE HD1 . 25008 1
25 . 1 1 3 3 PHE N N 15 121.262 0.011 . 1 . . . A 3 PHE N . 25008 1
26 . 1 1 4 4 CYS H H 1 8.882 0.009 . 1 . . . A 4 CYS H . 25008 1
27 . 1 1 4 4 CYS HA H 1 4.501 0.016 . 1 . . . A 4 CYS HA . 25008 1
28 . 1 1 4 4 CYS HB2 H 1 3.690 0.002 . 2 . . . A 4 CYS HB2 . 25008 1
29 . 1 1 4 4 CYS HB3 H 1 2.749 0.007 . 2 . . . A 4 CYS HB3 . 25008 1
30 . 1 1 4 4 CYS CA C 13 59.926 0.000 . 1 . . . A 4 CYS CA . 25008 1
31 . 1 1 4 4 CYS CB C 13 31.658 0.000 . 1 . . . A 4 CYS CB . 25008 1
32 . 1 1 4 4 CYS N N 15 126.122 0.025 . 1 . . . A 4 CYS N . 25008 1
33 . 1 1 5 5 ASP H H 1 9.971 0.017 . 1 . . . A 5 ASP H . 25008 1
34 . 1 1 5 5 ASP HA H 1 4.552 0.000 . 1 . . . A 5 ASP HA . 25008 1
35 . 1 1 5 5 ASP HB2 H 1 2.879 0.003 . 2 . . . A 5 ASP HB2 . 25008 1
36 . 1 1 5 5 ASP HB3 H 1 2.665 0.004 . 2 . . . A 5 ASP HB3 . 25008 1
37 . 1 1 5 5 ASP N N 15 131.680 7.966 . 1 . . . A 5 ASP N . 25008 1
38 . 1 1 6 6 LYS H H 1 9.426 0.002 . 1 . . . A 6 LYS H . 25008 1
39 . 1 1 6 6 LYS HA H 1 4.604 0.000 . 1 . . . A 6 LYS HA . 25008 1
40 . 1 1 6 6 LYS HB2 H 1 2.379 0.000 . 2 . . . A 6 LYS HB2 . 25008 1
41 . 1 1 6 6 LYS HB3 H 1 1.911 0.008 . 2 . . . A 6 LYS HB3 . 25008 1
42 . 1 1 6 6 LYS HG2 H 1 1.400 0.000 . 2 . . . A 6 LYS HG2 . 25008 1
43 . 1 1 6 6 LYS HG3 H 1 1.271 0.001 . 2 . . . A 6 LYS HG3 . 25008 1
44 . 1 1 6 6 LYS HD3 H 1 1.522 0.004 . 2 . . . A 6 LYS HD3 . 25008 1
45 . 1 1 6 6 LYS HE3 H 1 3.158 0.000 . 2 . . . A 6 LYS HE3 . 25008 1
46 . 1 1 6 6 LYS N N 15 121.428 0.091 . 1 . . . A 6 LYS N . 25008 1
47 . 1 1 7 7 CYS H H 1 8.253 0.002 . 1 . . . A 7 CYS H . 25008 1
48 . 1 1 7 7 CYS HA H 1 4.832 0.004 . 1 . . . A 7 CYS HA . 25008 1
49 . 1 1 7 7 CYS HB2 H 1 3.182 0.003 . 2 . . . A 7 CYS HB2 . 25008 1
50 . 1 1 7 7 CYS HB3 H 1 2.621 0.003 . 2 . . . A 7 CYS HB3 . 25008 1
51 . 1 1 7 7 CYS N N 15 117.863 0.016 . 1 . . . A 7 CYS N . 25008 1
52 . 1 1 8 8 GLY H H 1 8.146 0.002 . 1 . . . A 8 GLY H . 25008 1
53 . 1 1 8 8 GLY HA2 H 1 4.157 0.002 . 2 . . . A 8 GLY HA2 . 25008 1
54 . 1 1 8 8 GLY HA3 H 1 3.983 0.003 . 2 . . . A 8 GLY HA3 . 25008 1
55 . 1 1 8 8 GLY N N 15 112.656 0.014 . 1 . . . A 8 GLY N . 25008 1
56 . 1 1 9 9 LEU H H 1 8.430 0.001 . 1 . . . A 9 LEU H . 25008 1
57 . 1 1 9 9 LEU HA H 1 4.781 0.000 . 1 . . . A 9 LEU HA . 25008 1
58 . 1 1 9 9 LEU HB2 H 1 2.053 0.004 . 2 . . . A 9 LEU HB2 . 25008 1
59 . 1 1 9 9 LEU HB3 H 1 1.461 0.002 . 2 . . . A 9 LEU HB3 . 25008 1
60 . 1 1 9 9 LEU HG H 1 1.818 0.001 . 1 . . . A 9 LEU HG . 25008 1
61 . 1 1 9 9 LEU HD11 H 1 0.969 0.012 . 1 . . . A 9 LEU HD11 . 25008 1
62 . 1 1 9 9 LEU HD12 H 1 0.969 0.012 . 1 . . . A 9 LEU HD12 . 25008 1
63 . 1 1 9 9 LEU HD13 H 1 0.969 0.012 . 1 . . . A 9 LEU HD13 . 25008 1
64 . 1 1 9 9 LEU HD21 H 1 1.008 0.000 . 1 . . . A 9 LEU HD21 . 25008 1
65 . 1 1 9 9 LEU HD22 H 1 1.008 0.000 . 1 . . . A 9 LEU HD22 . 25008 1
66 . 1 1 9 9 LEU HD23 H 1 1.008 0.000 . 1 . . . A 9 LEU HD23 . 25008 1
67 . 1 1 9 9 LEU CD1 C 13 22.486 0.112 . 1 . . . A 9 LEU CD1 . 25008 1
68 . 1 1 9 9 LEU CD2 C 13 25.450 0.000 . 1 . . . A 9 LEU CD2 . 25008 1
69 . 1 1 9 9 LEU N N 15 123.069 0.015 . 1 . . . A 9 LEU N . 25008 1
70 . 1 1 10 10 PRO HA H 1 4.051 0.002 . 1 . . . A 10 PRO HA . 25008 1
71 . 1 1 10 10 PRO HB2 H 1 1.752 0.004 . 2 . . . A 10 PRO HB2 . 25008 1
72 . 1 1 10 10 PRO HB3 H 1 1.577 0.006 . 2 . . . A 10 PRO HB3 . 25008 1
73 . 1 1 10 10 PRO HD2 H 1 3.923 0.000 . 2 . . . A 10 PRO HD2 . 25008 1
74 . 1 1 10 10 PRO CD C 13 50.328 0.000 . 1 . . . A 10 PRO CD . 25008 1
75 . 1 1 11 11 ILE H H 1 8.440 0.002 . 1 . . . A 11 ILE H . 25008 1
76 . 1 1 11 11 ILE HA H 1 3.455 0.002 . 1 . . . A 11 ILE HA . 25008 1
77 . 1 1 11 11 ILE HB H 1 1.062 0.002 . 1 . . . A 11 ILE HB . 25008 1
78 . 1 1 11 11 ILE HG12 H 1 1.611 0.019 . 2 . . . A 11 ILE HG12 . 25008 1
79 . 1 1 11 11 ILE HG13 H 1 0.477 0.008 . 2 . . . A 11 ILE HG13 . 25008 1
80 . 1 1 11 11 ILE HG21 H 1 -0.262 0.004 . 1 . . . A 11 ILE HG21 . 25008 1
81 . 1 1 11 11 ILE HG22 H 1 -0.262 0.004 . 1 . . . A 11 ILE HG22 . 25008 1
82 . 1 1 11 11 ILE HG23 H 1 -0.262 0.004 . 1 . . . A 11 ILE HG23 . 25008 1
83 . 1 1 11 11 ILE HD11 H 1 0.422 0.006 . 1 . . . A 11 ILE HD11 . 25008 1
84 . 1 1 11 11 ILE HD12 H 1 0.422 0.006 . 1 . . . A 11 ILE HD12 . 25008 1
85 . 1 1 11 11 ILE HD13 H 1 0.422 0.006 . 1 . . . A 11 ILE HD13 . 25008 1
86 . 1 1 11 11 ILE CG2 C 13 16.918 0.072 . 1 . . . A 11 ILE CG2 . 25008 1
87 . 1 1 11 11 ILE CD1 C 13 13.298 0.065 . 1 . . . A 11 ILE CD1 . 25008 1
88 . 1 1 11 11 ILE N N 15 124.059 0.116 . 1 . . . A 11 ILE N . 25008 1
89 . 1 1 12 12 LYS H H 1 8.709 0.004 . 1 . . . A 12 LYS H . 25008 1
90 . 1 1 12 12 LYS HA H 1 4.280 0.003 . 1 . . . A 12 LYS HA . 25008 1
91 . 1 1 12 12 LYS HB3 H 1 1.815 0.002 . 2 . . . A 12 LYS HB3 . 25008 1
92 . 1 1 12 12 LYS HG2 H 1 1.438 0.001 . 2 . . . A 12 LYS HG2 . 25008 1
93 . 1 1 12 12 LYS HG3 H 1 1.318 0.001 . 2 . . . A 12 LYS HG3 . 25008 1
94 . 1 1 12 12 LYS HE3 H 1 2.953 0.000 . 2 . . . A 12 LYS HE3 . 25008 1
95 . 1 1 12 12 LYS N N 15 128.422 0.042 . 1 . . . A 12 LYS N . 25008 1
96 . 1 1 13 13 VAL H H 1 7.555 0.003 . 1 . . . A 13 VAL H . 25008 1
97 . 1 1 13 13 VAL HA H 1 4.098 0.007 . 1 . . . A 13 VAL HA . 25008 1
98 . 1 1 13 13 VAL HB H 1 1.907 0.005 . 1 . . . A 13 VAL HB . 25008 1
99 . 1 1 13 13 VAL HG11 H 1 0.774 0.014 . 1 . . . A 13 VAL HG11 . 25008 1
100 . 1 1 13 13 VAL HG12 H 1 0.774 0.014 . 1 . . . A 13 VAL HG12 . 25008 1
101 . 1 1 13 13 VAL HG13 H 1 0.774 0.014 . 1 . . . A 13 VAL HG13 . 25008 1
102 . 1 1 13 13 VAL HG21 H 1 0.823 0.005 . 1 . . . A 13 VAL HG21 . 25008 1
103 . 1 1 13 13 VAL HG22 H 1 0.823 0.005 . 1 . . . A 13 VAL HG22 . 25008 1
104 . 1 1 13 13 VAL HG23 H 1 0.823 0.005 . 1 . . . A 13 VAL HG23 . 25008 1
105 . 1 1 13 13 VAL CG1 C 13 21.329 0.000 . 1 . . . A 13 VAL CG1 . 25008 1
106 . 1 1 13 13 VAL CG2 C 13 21.142 0.083 . 1 . . . A 13 VAL CG2 . 25008 1
107 . 1 1 13 13 VAL N N 15 119.415 0.017 . 1 . . . A 13 VAL N . 25008 1
108 . 1 1 14 14 TYR H H 1 8.889 0.004 . 1 . . . A 14 TYR H . 25008 1
109 . 1 1 14 14 TYR HA H 1 4.723 0.009 . 1 . . . A 14 TYR HA . 25008 1
110 . 1 1 14 14 TYR HB2 H 1 2.797 0.006 . 2 . . . A 14 TYR HB2 . 25008 1
111 . 1 1 14 14 TYR HB3 H 1 2.586 0.004 . 2 . . . A 14 TYR HB3 . 25008 1
112 . 1 1 14 14 TYR HD1 H 1 6.712 0.006 . 3 . . . A 14 TYR HD1 . 25008 1
113 . 1 1 14 14 TYR HE2 H 1 6.512 0.007 . 3 . . . A 14 TYR HE2 . 25008 1
114 . 1 1 14 14 TYR CA C 13 57.992 0.000 . 1 . . . A 14 TYR CA . 25008 1
115 . 1 1 14 14 TYR CD2 C 13 133.701 0.000 . 1 . . . A 14 TYR CD2 . 25008 1
116 . 1 1 14 14 TYR CE2 C 13 117.990 0.037 . 1 . . . A 14 TYR CE2 . 25008 1
117 . 1 1 14 14 TYR N N 15 124.898 0.007 . 1 . . . A 14 TYR N . 25008 1
118 . 1 1 15 15 GLY H H 1 9.162 0.001 . 1 . . . A 15 GLY H . 25008 1
119 . 1 1 15 15 GLY HA2 H 1 5.114 0.007 . 2 . . . A 15 GLY HA2 . 25008 1
120 . 1 1 15 15 GLY HA3 H 1 3.036 0.003 . 2 . . . A 15 GLY HA3 . 25008 1
121 . 1 1 15 15 GLY CA C 13 45.975 0.000 . 1 . . . A 15 GLY CA . 25008 1
122 . 1 1 15 15 GLY N N 15 107.261 0.016 . 1 . . . A 15 GLY N . 25008 1
123 . 1 1 16 16 ARG H H 1 9.340 0.003 . 1 . . . A 16 ARG H . 25008 1
124 . 1 1 16 16 ARG HA H 1 4.838 0.002 . 1 . . . A 16 ARG HA . 25008 1
125 . 1 1 16 16 ARG HB2 H 1 1.005 0.000 . 2 . . . A 16 ARG HB2 . 25008 1
126 . 1 1 16 16 ARG HB3 H 1 1.924 0.000 . 2 . . . A 16 ARG HB3 . 25008 1
127 . 1 1 16 16 ARG HG2 H 1 1.006 0.001 . 2 . . . A 16 ARG HG2 . 25008 1
128 . 1 1 16 16 ARG HG3 H 1 0.867 0.014 . 2 . . . A 16 ARG HG3 . 25008 1
129 . 1 1 16 16 ARG HD3 H 1 2.571 0.000 . 2 . . . A 16 ARG HD3 . 25008 1
130 . 1 1 16 16 ARG HE H 1 5.985 0.003 . 1 . . . A 16 ARG HE . 25008 1
131 . 1 1 16 16 ARG N N 15 127.282 0.028 . 1 . . . A 16 ARG N . 25008 1
132 . 1 1 16 16 ARG NE N 15 129.974 0.014 . 1 . . . A 16 ARG NE . 25008 1
133 . 1 1 17 17 MET H H 1 9.169 0.002 . 1 . . . A 17 MET H . 25008 1
134 . 1 1 17 17 MET HA H 1 4.542 0.001 . 1 . . . A 17 MET HA . 25008 1
135 . 1 1 17 17 MET HB2 H 1 2.827 0.005 . 2 . . . A 17 MET HB2 . 25008 1
136 . 1 1 17 17 MET HB3 H 1 1.959 0.003 . 2 . . . A 17 MET HB3 . 25008 1
137 . 1 1 17 17 MET HG2 H 1 3.389 0.000 . 2 . . . A 17 MET HG2 . 25008 1
138 . 1 1 17 17 MET HE1 H 1 2.000 0.006 . 1 . . . A 17 MET HE1 . 25008 1
139 . 1 1 17 17 MET HE2 H 1 2.000 0.006 . 1 . . . A 17 MET HE2 . 25008 1
140 . 1 1 17 17 MET HE3 H 1 2.000 0.006 . 1 . . . A 17 MET HE3 . 25008 1
141 . 1 1 17 17 MET CE C 13 19.741 0.100 . 1 . . . A 17 MET CE . 25008 1
142 . 1 1 17 17 MET N N 15 126.130 0.019 . 1 . . . A 17 MET N . 25008 1
143 . 1 1 18 18 ILE H H 1 8.458 0.003 . 1 . . . A 18 ILE H . 25008 1
144 . 1 1 18 18 ILE HA H 1 4.680 0.013 . 1 . . . A 18 ILE HA . 25008 1
145 . 1 1 18 18 ILE HB H 1 2.072 0.006 . 1 . . . A 18 ILE HB . 25008 1
146 . 1 1 18 18 ILE HG12 H 1 1.502 0.001 . 2 . . . A 18 ILE HG12 . 25008 1
147 . 1 1 18 18 ILE HG13 H 1 1.070 0.005 . 2 . . . A 18 ILE HG13 . 25008 1
148 . 1 1 18 18 ILE HG21 H 1 0.831 0.009 . 1 . . . A 18 ILE HG21 . 25008 1
149 . 1 1 18 18 ILE HG22 H 1 0.831 0.009 . 1 . . . A 18 ILE HG22 . 25008 1
150 . 1 1 18 18 ILE HG23 H 1 0.831 0.009 . 1 . . . A 18 ILE HG23 . 25008 1
151 . 1 1 18 18 ILE HD11 H 1 0.557 0.003 . 1 . . . A 18 ILE HD11 . 25008 1
152 . 1 1 18 18 ILE HD12 H 1 0.557 0.003 . 1 . . . A 18 ILE HD12 . 25008 1
153 . 1 1 18 18 ILE HD13 H 1 0.557 0.003 . 1 . . . A 18 ILE HD13 . 25008 1
154 . 1 1 18 18 ILE CG2 C 13 15.886 0.000 . 1 . . . A 18 ILE CG2 . 25008 1
155 . 1 1 18 18 ILE CD1 C 13 9.254 0.000 . 1 . . . A 18 ILE CD1 . 25008 1
156 . 1 1 18 18 ILE N N 15 123.341 0.010 . 1 . . . A 18 ILE N . 25008 1
157 . 1 1 19 19 PRO HA H 1 4.689 0.000 . 1 . . . A 19 PRO HA . 25008 1
158 . 1 1 19 19 PRO HB2 H 1 2.231 0.000 . 2 . . . A 19 PRO HB2 . 25008 1
159 . 1 1 19 19 PRO HB3 H 1 2.129 0.000 . 2 . . . A 19 PRO HB3 . 25008 1
160 . 1 1 19 19 PRO HG2 H 1 1.947 0.000 . 2 . . . A 19 PRO HG2 . 25008 1
161 . 1 1 19 19 PRO HG3 H 1 1.865 0.000 . 2 . . . A 19 PRO HG3 . 25008 1
162 . 1 1 19 19 PRO HD2 H 1 3.985 0.001 . 2 . . . A 19 PRO HD2 . 25008 1
163 . 1 1 19 19 PRO HD3 H 1 3.425 0.006 . 2 . . . A 19 PRO HD3 . 25008 1
164 . 1 1 20 20 CYS H H 1 8.633 0.006 . 1 . . . A 20 CYS H . 25008 1
165 . 1 1 20 20 CYS HA H 1 4.233 0.001 . 1 . . . A 20 CYS HA . 25008 1
166 . 1 1 20 20 CYS HB2 H 1 2.907 0.003 . 2 . . . A 20 CYS HB2 . 25008 1
167 . 1 1 20 20 CYS HB3 H 1 2.588 0.004 . 2 . . . A 20 CYS HB3 . 25008 1
168 . 1 1 20 20 CYS N N 15 124.522 0.119 . 1 . . . A 20 CYS N . 25008 1
169 . 1 1 21 21 LYS H H 1 8.279 0.002 . 1 . . . A 21 LYS H . 25008 1
170 . 1 1 21 21 LYS HA H 1 3.609 0.003 . 1 . . . A 21 LYS HA . 25008 1
171 . 1 1 21 21 LYS HB2 H 1 2.269 0.002 . 2 . . . A 21 LYS HB2 . 25008 1
172 . 1 1 21 21 LYS HB3 H 1 1.831 0.002 . 2 . . . A 21 LYS HB3 . 25008 1
173 . 1 1 21 21 LYS HG2 H 1 1.462 0.000 . 2 . . . A 21 LYS HG2 . 25008 1
174 . 1 1 21 21 LYS HG3 H 1 0.747 0.001 . 2 . . . A 21 LYS HG3 . 25008 1
175 . 1 1 21 21 LYS HD2 H 1 1.348 0.000 . 2 . . . A 21 LYS HD2 . 25008 1
176 . 1 1 21 21 LYS HD3 H 1 1.111 0.000 . 2 . . . A 21 LYS HD3 . 25008 1
177 . 1 1 21 21 LYS N N 15 111.843 0.007 . 1 . . . A 21 LYS N . 25008 1
178 . 1 1 22 22 HIS H H 1 7.950 0.003 . 1 . . . A 22 HIS H . 25008 1
179 . 1 1 22 22 HIS HA H 1 4.824 0.001 . 1 . . . A 22 HIS HA . 25008 1
180 . 1 1 22 22 HIS HB2 H 1 3.282 0.002 . 2 . . . A 22 HIS HB2 . 25008 1
181 . 1 1 22 22 HIS HB3 H 1 3.020 0.002 . 2 . . . A 22 HIS HB3 . 25008 1
182 . 1 1 22 22 HIS HD2 H 1 7.013 0.000 . 1 . . . A 22 HIS HD2 . 25008 1
183 . 1 1 22 22 HIS N N 15 122.289 0.018 . 1 . . . A 22 HIS N . 25008 1
184 . 1 1 23 23 VAL H H 1 8.912 0.008 . 1 . . . A 23 VAL H . 25008 1
185 . 1 1 23 23 VAL HA H 1 5.617 0.002 . 1 . . . A 23 VAL HA . 25008 1
186 . 1 1 23 23 VAL HB H 1 2.002 0.000 . 1 . . . A 23 VAL HB . 25008 1
187 . 1 1 23 23 VAL HG11 H 1 0.656 0.001 . 1 . . . A 23 VAL HG11 . 25008 1
188 . 1 1 23 23 VAL HG12 H 1 0.656 0.001 . 1 . . . A 23 VAL HG12 . 25008 1
189 . 1 1 23 23 VAL HG13 H 1 0.656 0.001 . 1 . . . A 23 VAL HG13 . 25008 1
190 . 1 1 23 23 VAL HG21 H 1 0.653 0.006 . 1 . . . A 23 VAL HG21 . 25008 1
191 . 1 1 23 23 VAL HG22 H 1 0.653 0.006 . 1 . . . A 23 VAL HG22 . 25008 1
192 . 1 1 23 23 VAL HG23 H 1 0.653 0.006 . 1 . . . A 23 VAL HG23 . 25008 1
193 . 1 1 23 23 VAL CG1 C 13 19.096 0.073 . 1 . . . A 23 VAL CG1 . 25008 1
194 . 1 1 23 23 VAL CG2 C 13 21.852 0.098 . 1 . . . A 23 VAL CG2 . 25008 1
195 . 1 1 23 23 VAL N N 15 111.859 0.021 . 1 . . . A 23 VAL N . 25008 1
196 . 1 1 24 24 PHE H H 1 8.266 0.002 . 1 . . . A 24 PHE H . 25008 1
197 . 1 1 24 24 PHE HA H 1 4.822 0.004 . 1 . . . A 24 PHE HA . 25008 1
198 . 1 1 24 24 PHE HB2 H 1 3.691 0.002 . 2 . . . A 24 PHE HB2 . 25008 1
199 . 1 1 24 24 PHE HB3 H 1 2.417 0.001 . 2 . . . A 24 PHE HB3 . 25008 1
200 . 1 1 24 24 PHE HD2 H 1 7.187 0.001 . 3 . . . A 24 PHE HD2 . 25008 1
201 . 1 1 24 24 PHE HE1 H 1 7.289 0.006 . 3 . . . A 24 PHE HE1 . 25008 1
202 . 1 1 24 24 PHE HZ H 1 6.929 0.002 . 1 . . . A 24 PHE HZ . 25008 1
203 . 1 1 24 24 PHE N N 15 118.549 0.021 . 1 . . . A 24 PHE N . 25008 1
204 . 1 1 25 25 CYS H H 1 9.985 0.004 . 1 . . . A 25 CYS H . 25008 1
205 . 1 1 25 25 CYS HA H 1 4.943 0.008 . 1 . . . A 25 CYS HA . 25008 1
206 . 1 1 25 25 CYS HB2 H 1 3.649 0.005 . 2 . . . A 25 CYS HB2 . 25008 1
207 . 1 1 25 25 CYS HB3 H 1 2.973 0.010 . 2 . . . A 25 CYS HB3 . 25008 1
208 . 1 1 25 25 CYS CA C 13 59.593 0.003 . 1 . . . A 25 CYS CA . 25008 1
209 . 1 1 25 25 CYS CB C 13 30.178 0.013 . 1 . . . A 25 CYS CB . 25008 1
210 . 1 1 25 25 CYS N N 15 122.755 0.080 . 1 . . . A 25 CYS N . 25008 1
211 . 1 1 26 26 TYR H H 1 8.573 0.005 . 1 . . . A 26 TYR H . 25008 1
212 . 1 1 26 26 TYR HA H 1 3.797 0.000 . 1 . . . A 26 TYR HA . 25008 1
213 . 1 1 26 26 TYR HB2 H 1 2.828 0.012 . 2 . . . A 26 TYR HB2 . 25008 1
214 . 1 1 26 26 TYR HB3 H 1 2.675 0.012 . 2 . . . A 26 TYR HB3 . 25008 1
215 . 1 1 26 26 TYR HD1 H 1 6.986 0.005 . 3 . . . A 26 TYR HD1 . 25008 1
216 . 1 1 26 26 TYR HE2 H 1 6.642 0.006 . 3 . . . A 26 TYR HE2 . 25008 1
217 . 1 1 26 26 TYR CD2 C 13 132.578 0.059 . 1 . . . A 26 TYR CD2 . 25008 1
218 . 1 1 26 26 TYR CE2 C 13 118.083 0.000 . 1 . . . A 26 TYR CE2 . 25008 1
219 . 1 1 26 26 TYR N N 15 123.736 0.026 . 1 . . . A 26 TYR N . 25008 1
220 . 1 1 27 27 ASP H H 1 7.940 0.001 . 1 . . . A 27 ASP H . 25008 1
221 . 1 1 27 27 ASP HA H 1 4.217 0.003 . 1 . . . A 27 ASP HA . 25008 1
222 . 1 1 27 27 ASP HB2 H 1 2.879 0.002 . 2 . . . A 27 ASP HB2 . 25008 1
223 . 1 1 27 27 ASP HB3 H 1 2.615 0.000 . 2 . . . A 27 ASP HB3 . 25008 1
224 . 1 1 27 27 ASP N N 15 116.153 0.011 . 1 . . . A 27 ASP N . 25008 1
225 . 1 1 28 28 CYS H H 1 9.017 0.003 . 1 . . . A 28 CYS H . 25008 1
226 . 1 1 28 28 CYS HA H 1 3.865 0.005 . 1 . . . A 28 CYS HA . 25008 1
227 . 1 1 28 28 CYS HB2 H 1 3.138 0.003 . 2 . . . A 28 CYS HB2 . 25008 1
228 . 1 1 28 28 CYS HB3 H 1 2.605 0.002 . 2 . . . A 28 CYS HB3 . 25008 1
229 . 1 1 28 28 CYS N N 15 122.608 0.014 . 1 . . . A 28 CYS N . 25008 1
230 . 1 1 29 29 ALA H H 1 8.431 0.003 . 1 . . . A 29 ALA H . 25008 1
231 . 1 1 29 29 ALA HA H 1 3.756 0.007 . 1 . . . A 29 ALA HA . 25008 1
232 . 1 1 29 29 ALA HB1 H 1 1.419 0.003 . 1 . . . A 29 ALA HB1 . 25008 1
233 . 1 1 29 29 ALA HB2 H 1 1.419 0.003 . 1 . . . A 29 ALA HB2 . 25008 1
234 . 1 1 29 29 ALA HB3 H 1 1.419 0.003 . 1 . . . A 29 ALA HB3 . 25008 1
235 . 1 1 29 29 ALA CB C 13 19.441 0.103 . 1 . . . A 29 ALA CB . 25008 1
236 . 1 1 29 29 ALA N N 15 121.855 0.011 . 1 . . . A 29 ALA N . 25008 1
237 . 1 1 30 30 ILE H H 1 7.982 0.003 . 1 . . . A 30 ILE H . 25008 1
238 . 1 1 30 30 ILE HA H 1 3.853 0.004 . 1 . . . A 30 ILE HA . 25008 1
239 . 1 1 30 30 ILE HB H 1 1.639 0.004 . 1 . . . A 30 ILE HB . 25008 1
240 . 1 1 30 30 ILE HG12 H 1 1.093 0.002 . 2 . . . A 30 ILE HG12 . 25008 1
241 . 1 1 30 30 ILE HG13 H 1 0.998 0.001 . 2 . . . A 30 ILE HG13 . 25008 1
242 . 1 1 30 30 ILE HG21 H 1 0.624 0.004 . 1 . . . A 30 ILE HG21 . 25008 1
243 . 1 1 30 30 ILE HG22 H 1 0.624 0.004 . 1 . . . A 30 ILE HG22 . 25008 1
244 . 1 1 30 30 ILE HG23 H 1 0.624 0.004 . 1 . . . A 30 ILE HG23 . 25008 1
245 . 1 1 30 30 ILE HD11 H 1 0.648 0.000 . 1 . . . A 30 ILE HD11 . 25008 1
246 . 1 1 30 30 ILE HD12 H 1 0.648 0.000 . 1 . . . A 30 ILE HD12 . 25008 1
247 . 1 1 30 30 ILE HD13 H 1 0.648 0.000 . 1 . . . A 30 ILE HD13 . 25008 1
248 . 1 1 30 30 ILE CG2 C 13 18.043 0.000 . 1 . . . A 30 ILE CG2 . 25008 1
249 . 1 1 30 30 ILE CD1 C 13 12.678 0.000 . 1 . . . A 30 ILE CD1 . 25008 1
250 . 1 1 30 30 ILE N N 15 113.808 0.042 . 1 . . . A 30 ILE N . 25008 1
251 . 1 1 31 31 LEU H H 1 7.356 0.001 . 1 . . . A 31 LEU H . 25008 1
252 . 1 1 31 31 LEU HA H 1 3.947 0.003 . 1 . . . A 31 LEU HA . 25008 1
253 . 1 1 31 31 LEU HB2 H 1 1.627 0.001 . 2 . . . A 31 LEU HB2 . 25008 1
254 . 1 1 31 31 LEU HB3 H 1 1.454 0.001 . 2 . . . A 31 LEU HB3 . 25008 1
255 . 1 1 31 31 LEU HG H 1 1.559 0.002 . 1 . . . A 31 LEU HG . 25008 1
256 . 1 1 31 31 LEU HD11 H 1 0.746 0.014 . 1 . . . A 31 LEU HD11 . 25008 1
257 . 1 1 31 31 LEU HD12 H 1 0.746 0.014 . 1 . . . A 31 LEU HD12 . 25008 1
258 . 1 1 31 31 LEU HD13 H 1 0.746 0.014 . 1 . . . A 31 LEU HD13 . 25008 1
259 . 1 1 31 31 LEU HD21 H 1 0.801 0.009 . 1 . . . A 31 LEU HD21 . 25008 1
260 . 1 1 31 31 LEU HD22 H 1 0.801 0.009 . 1 . . . A 31 LEU HD22 . 25008 1
261 . 1 1 31 31 LEU HD23 H 1 0.801 0.009 . 1 . . . A 31 LEU HD23 . 25008 1
262 . 1 1 31 31 LEU CD1 C 13 24.238 0.000 . 1 . . . A 31 LEU CD1 . 25008 1
263 . 1 1 31 31 LEU CD2 C 13 24.875 0.000 . 1 . . . A 31 LEU CD2 . 25008 1
264 . 1 1 31 31 LEU N N 15 122.944 0.006 . 1 . . . A 31 LEU N . 25008 1
265 . 1 1 32 32 HIS H H 1 7.919 0.004 . 1 . . . A 32 HIS H . 25008 1
266 . 1 1 32 32 HIS HA H 1 4.262 0.012 . 1 . . . A 32 HIS HA . 25008 1
267 . 1 1 32 32 HIS HB2 H 1 3.247 0.001 . 2 . . . A 32 HIS HB2 . 25008 1
268 . 1 1 32 32 HIS HB3 H 1 2.910 0.002 . 2 . . . A 32 HIS HB3 . 25008 1
269 . 1 1 32 32 HIS HD2 H 1 7.010 0.009 . 1 . . . A 32 HIS HD2 . 25008 1
270 . 1 1 32 32 HIS N N 15 118.053 0.045 . 1 . . . A 32 HIS N . 25008 1
271 . 1 1 33 33 GLU H H 1 7.881 0.005 . 1 . . . A 33 GLU H . 25008 1
272 . 1 1 33 33 GLU HA H 1 4.039 0.000 . 1 . . . A 33 GLU HA . 25008 1
273 . 1 1 33 33 GLU HB2 H 1 2.111 0.000 . 2 . . . A 33 GLU HB2 . 25008 1
274 . 1 1 33 33 GLU HB3 H 1 1.982 0.009 . 2 . . . A 33 GLU HB3 . 25008 1
275 . 1 1 33 33 GLU HG3 H 1 2.116 0.004 . 2 . . . A 33 GLU HG3 . 25008 1
276 . 1 1 33 33 GLU CB C 13 30.068 0.000 . 1 . . . A 33 GLU CB . 25008 1
277 . 1 1 33 33 GLU N N 15 120.900 0.044 . 1 . . . A 33 GLU N . 25008 1
278 . 1 1 34 34 LYS H H 1 7.982 0.011 . 1 . . . A 34 LYS H . 25008 1
279 . 1 1 34 34 LYS HA H 1 4.066 0.005 . 1 . . . A 34 LYS HA . 25008 1
280 . 1 1 34 34 LYS HB3 H 1 1.828 0.000 . 2 . . . A 34 LYS HB3 . 25008 1
281 . 1 1 34 34 LYS HG2 H 1 1.515 0.000 . 1 . . . A 34 LYS HG2 . 25008 1
282 . 1 1 34 34 LYS HG3 H 1 1.419 0.007 . 1 . . . A 34 LYS HG3 . 25008 1
283 . 1 1 34 34 LYS HD3 H 1 1.620 0.002 . 2 . . . A 34 LYS HD3 . 25008 1
284 . 1 1 34 34 LYS HE3 H 1 2.918 0.000 . 2 . . . A 34 LYS HE3 . 25008 1
285 . 1 1 34 34 LYS N N 15 118.986 0.017 . 1 . . . A 34 LYS N . 25008 1
286 . 1 1 35 35 LYS H H 1 7.903 0.005 . 1 . . . A 35 LYS H . 25008 1
287 . 1 1 35 35 LYS HA H 1 4.152 0.006 . 1 . . . A 35 LYS HA . 25008 1
288 . 1 1 35 35 LYS HB3 H 1 1.804 0.005 . 2 . . . A 35 LYS HB3 . 25008 1
289 . 1 1 35 35 LYS HG2 H 1 1.451 0.006 . 2 . . . A 35 LYS HG2 . 25008 1
290 . 1 1 35 35 LYS HG3 H 1 1.376 0.008 . 2 . . . A 35 LYS HG3 . 25008 1
291 . 1 1 35 35 LYS HD3 H 1 1.603 0.007 . 2 . . . A 35 LYS HD3 . 25008 1
292 . 1 1 35 35 LYS HE3 H 1 2.911 0.000 . 2 . . . A 35 LYS HE3 . 25008 1
293 . 1 1 35 35 LYS N N 15 118.849 0.027 . 1 . . . A 35 LYS N . 25008 1
294 . 1 1 36 36 GLY H H 1 7.958 0.005 . 1 . . . A 36 GLY H . 25008 1
295 . 1 1 36 36 GLY HA2 H 1 4.010 0.002 . 2 . . . A 36 GLY HA2 . 25008 1
296 . 1 1 36 36 GLY HA3 H 1 3.790 0.002 . 2 . . . A 36 GLY HA3 . 25008 1
297 . 1 1 36 36 GLY N N 15 107.805 0.094 . 1 . . . A 36 GLY N . 25008 1
298 . 1 1 37 37 ASP H H 1 7.879 0.005 . 1 . . . A 37 ASP H . 25008 1
299 . 1 1 37 37 ASP HA H 1 4.531 0.001 . 1 . . . A 37 ASP HA . 25008 1
300 . 1 1 37 37 ASP HB2 H 1 2.532 0.002 . 2 . . . A 37 ASP HB2 . 25008 1
301 . 1 1 37 37 ASP HB3 H 1 2.463 0.003 . 2 . . . A 37 ASP HB3 . 25008 1
302 . 1 1 37 37 ASP N N 15 120.100 0.008 . 1 . . . A 37 ASP N . 25008 1
303 . 1 1 38 38 LYS H H 1 8.404 0.001 . 1 . . . A 38 LYS H . 25008 1
304 . 1 1 38 38 LYS HA H 1 4.176 0.001 . 1 . . . A 38 LYS HA . 25008 1
305 . 1 1 38 38 LYS HB2 H 1 2.010 0.004 . 2 . . . A 38 LYS HB2 . 25008 1
306 . 1 1 38 38 LYS HB3 H 1 1.776 0.010 . 2 . . . A 38 LYS HB3 . 25008 1
307 . 1 1 38 38 LYS HG3 H 1 1.344 0.003 . 2 . . . A 38 LYS HG3 . 25008 1
308 . 1 1 38 38 LYS HD3 H 1 1.651 0.000 . 2 . . . A 38 LYS HD3 . 25008 1
309 . 1 1 38 38 LYS HE2 H 1 3.239 0.002 . 2 . . . A 38 LYS HE2 . 25008 1
310 . 1 1 38 38 LYS HE3 H 1 2.926 0.014 . 2 . . . A 38 LYS HE3 . 25008 1
311 . 1 1 38 38 LYS N N 15 119.749 0.007 . 1 . . . A 38 LYS N . 25008 1
312 . 1 1 39 39 MET H H 1 7.966 0.003 . 1 . . . A 39 MET H . 25008 1
313 . 1 1 39 39 MET HA H 1 4.874 0.005 . 1 . . . A 39 MET HA . 25008 1
314 . 1 1 39 39 MET HB2 H 1 1.745 0.005 . 2 . . . A 39 MET HB2 . 25008 1
315 . 1 1 39 39 MET HB3 H 1 1.608 0.003 . 2 . . . A 39 MET HB3 . 25008 1
316 . 1 1 39 39 MET HG2 H 1 2.423 0.007 . 2 . . . A 39 MET HG2 . 25008 1
317 . 1 1 39 39 MET HG3 H 1 2.315 0.013 . 2 . . . A 39 MET HG3 . 25008 1
318 . 1 1 39 39 MET HE1 H 1 2.023 0.017 . 1 . . . A 39 MET HE1 . 25008 1
319 . 1 1 39 39 MET HE2 H 1 2.023 0.017 . 1 . . . A 39 MET HE2 . 25008 1
320 . 1 1 39 39 MET HE3 H 1 2.023 0.017 . 1 . . . A 39 MET HE3 . 25008 1
321 . 1 1 39 39 MET CE C 13 17.802 0.000 . 1 . . . A 39 MET CE . 25008 1
322 . 1 1 39 39 MET N N 15 119.409 0.008 . 1 . . . A 39 MET N . 25008 1
323 . 1 1 40 40 CYS H H 1 8.900 0.002 . 1 . . . A 40 CYS H . 25008 1
324 . 1 1 40 40 CYS HA H 1 4.325 0.004 . 1 . . . A 40 CYS HA . 25008 1
325 . 1 1 40 40 CYS HB2 H 1 3.264 0.002 . 2 . . . A 40 CYS HB2 . 25008 1
326 . 1 1 40 40 CYS HB3 H 1 2.905 0.004 . 2 . . . A 40 CYS HB3 . 25008 1
327 . 1 1 40 40 CYS N N 15 127.068 0.032 . 1 . . . A 40 CYS N . 25008 1
328 . 1 1 41 41 PRO HA H 1 4.117 0.000 . 1 . . . A 41 PRO HA . 25008 1
329 . 1 1 41 41 PRO HB2 H 1 1.602 0.000 . 2 . . . A 41 PRO HB2 . 25008 1
330 . 1 1 41 41 PRO HB3 H 1 1.098 0.000 . 2 . . . A 41 PRO HB3 . 25008 1
331 . 1 1 41 41 PRO HG2 H 1 0.912 0.000 . 2 . . . A 41 PRO HG2 . 25008 1
332 . 1 1 41 41 PRO HG3 H 1 0.477 0.000 . 2 . . . A 41 PRO HG3 . 25008 1
333 . 1 1 41 41 PRO HD2 H 1 3.629 0.007 . 2 . . . A 41 PRO HD2 . 25008 1
334 . 1 1 41 41 PRO HD3 H 1 3.370 0.003 . 2 . . . A 41 PRO HD3 . 25008 1
335 . 1 1 42 42 GLY H H 1 9.505 0.001 . 1 . . . A 42 GLY H . 25008 1
336 . 1 1 42 42 GLY HA2 H 1 4.186 0.003 . 2 . . . A 42 GLY HA2 . 25008 1
337 . 1 1 42 42 GLY HA3 H 1 3.874 0.002 . 2 . . . A 42 GLY HA3 . 25008 1
338 . 1 1 42 42 GLY N N 15 111.867 0.010 . 1 . . . A 42 GLY N . 25008 1
339 . 1 1 43 43 CYS H H 1 8.455 0.004 . 1 . . . A 43 CYS H . 25008 1
340 . 1 1 43 43 CYS HA H 1 4.956 0.001 . 1 . . . A 43 CYS HA . 25008 1
341 . 1 1 43 43 CYS HB2 H 1 3.430 0.018 . 2 . . . A 43 CYS HB2 . 25008 1
342 . 1 1 43 43 CYS HB3 H 1 2.685 0.005 . 2 . . . A 43 CYS HB3 . 25008 1
343 . 1 1 43 43 CYS N N 15 121.915 0.025 . 1 . . . A 43 CYS N . 25008 1
344 . 1 1 44 44 SER H H 1 8.108 0.020 . 1 . . . A 44 SER H . 25008 1
345 . 1 1 44 44 SER HA H 1 4.186 0.001 . 1 . . . A 44 SER HA . 25008 1
346 . 1 1 44 44 SER HB3 H 1 4.100 0.006 . 2 . . . A 44 SER HB3 . 25008 1
347 . 1 1 44 44 SER N N 15 114.723 0.019 . 1 . . . A 44 SER N . 25008 1
348 . 1 1 45 45 ASP H H 1 8.614 0.002 . 1 . . . A 45 ASP H . 25008 1
349 . 1 1 45 45 ASP HA H 1 4.971 0.000 . 1 . . . A 45 ASP HA . 25008 1
350 . 1 1 45 45 ASP HB2 H 1 2.927 0.001 . 2 . . . A 45 ASP HB2 . 25008 1
351 . 1 1 45 45 ASP HB3 H 1 2.577 0.000 . 2 . . . A 45 ASP HB3 . 25008 1
352 . 1 1 45 45 ASP N N 15 124.170 0.016 . 1 . . . A 45 ASP N . 25008 1
353 . 1 1 46 46 PRO HA H 1 4.763 0.000 . 1 . . . A 46 PRO HA . 25008 1
354 . 1 1 46 46 PRO HB2 H 1 2.351 0.000 . 2 . . . A 46 PRO HB2 . 25008 1
355 . 1 1 46 46 PRO HB3 H 1 1.786 0.000 . 2 . . . A 46 PRO HB3 . 25008 1
356 . 1 1 46 46 PRO HD2 H 1 3.920 0.000 . 2 . . . A 46 PRO HD2 . 25008 1
357 . 1 1 46 46 PRO HD3 H 1 3.574 0.000 . 2 . . . A 46 PRO HD3 . 25008 1
358 . 1 1 47 47 VAL H H 1 8.223 0.003 . 1 . . . A 47 VAL H . 25008 1
359 . 1 1 47 47 VAL HA H 1 4.325 0.001 . 1 . . . A 47 VAL HA . 25008 1
360 . 1 1 47 47 VAL HB H 1 1.651 0.002 . 1 . . . A 47 VAL HB . 25008 1
361 . 1 1 47 47 VAL HG11 H 1 0.878 0.006 . 1 . . . A 47 VAL HG11 . 25008 1
362 . 1 1 47 47 VAL HG12 H 1 0.878 0.006 . 1 . . . A 47 VAL HG12 . 25008 1
363 . 1 1 47 47 VAL HG13 H 1 0.878 0.006 . 1 . . . A 47 VAL HG13 . 25008 1
364 . 1 1 47 47 VAL HG21 H 1 0.892 0.000 . 1 . . . A 47 VAL HG21 . 25008 1
365 . 1 1 47 47 VAL HG22 H 1 0.892 0.000 . 1 . . . A 47 VAL HG22 . 25008 1
366 . 1 1 47 47 VAL HG23 H 1 0.892 0.000 . 1 . . . A 47 VAL HG23 . 25008 1
367 . 1 1 47 47 VAL CG1 C 13 21.873 0.000 . 1 . . . A 47 VAL CG1 . 25008 1
368 . 1 1 47 47 VAL CG2 C 13 22.540 0.000 . 1 . . . A 47 VAL CG2 . 25008 1
369 . 1 1 47 47 VAL N N 15 124.308 0.036 . 1 . . . A 47 VAL N . 25008 1
370 . 1 1 48 48 GLN H H 1 9.746 0.002 . 1 . . . A 48 GLN H . 25008 1
371 . 1 1 48 48 GLN HA H 1 4.311 0.004 . 1 . . . A 48 GLN HA . 25008 1
372 . 1 1 48 48 GLN HB2 H 1 2.054 0.002 . 2 . . . A 48 GLN HB2 . 25008 1
373 . 1 1 48 48 GLN HB3 H 1 1.872 0.004 . 2 . . . A 48 GLN HB3 . 25008 1
374 . 1 1 48 48 GLN HG3 H 1 2.396 0.001 . 2 . . . A 48 GLN HG3 . 25008 1
375 . 1 1 48 48 GLN HE21 H 1 6.784 0.000 . 2 . . . A 48 GLN HE21 . 25008 1
376 . 1 1 48 48 GLN HE22 H 1 7.490 0.001 . 2 . . . A 48 GLN HE22 . 25008 1
377 . 1 1 48 48 GLN N N 15 126.687 0.003 . 1 . . . A 48 GLN N . 25008 1
378 . 1 1 48 48 GLN NE2 N 15 111.057 0.022 . 1 . . . A 48 GLN NE2 . 25008 1
379 . 1 1 49 49 ARG H H 1 7.781 0.002 . 1 . . . A 49 ARG H . 25008 1
380 . 1 1 49 49 ARG HA H 1 4.577 0.001 . 1 . . . A 49 ARG HA . 25008 1
381 . 1 1 49 49 ARG HB2 H 1 1.946 0.015 . 2 . . . A 49 ARG HB2 . 25008 1
382 . 1 1 49 49 ARG HB3 H 1 1.701 0.007 . 2 . . . A 49 ARG HB3 . 25008 1
383 . 1 1 49 49 ARG HG2 H 1 1.336 0.002 . 2 . . . A 49 ARG HG2 . 25008 1
384 . 1 1 49 49 ARG HG3 H 1 1.234 0.000 . 2 . . . A 49 ARG HG3 . 25008 1
385 . 1 1 49 49 ARG HD2 H 1 3.193 0.000 . 2 . . . A 49 ARG HD2 . 25008 1
386 . 1 1 49 49 ARG HD3 H 1 3.118 0.000 . 2 . . . A 49 ARG HD3 . 25008 1
387 . 1 1 49 49 ARG N N 15 114.333 0.007 . 1 . . . A 49 ARG N . 25008 1
388 . 1 1 50 50 ILE H H 1 8.429 0.004 . 1 . . . A 50 ILE H . 25008 1
389 . 1 1 50 50 ILE HA H 1 4.811 0.005 . 1 . . . A 50 ILE HA . 25008 1
390 . 1 1 50 50 ILE HB H 1 1.608 0.003 . 1 . . . A 50 ILE HB . 25008 1
391 . 1 1 50 50 ILE HG12 H 1 1.444 0.007 . 2 . . . A 50 ILE HG12 . 25008 1
392 . 1 1 50 50 ILE HG13 H 1 1.077 0.003 . 2 . . . A 50 ILE HG13 . 25008 1
393 . 1 1 50 50 ILE HG21 H 1 0.706 0.006 . 1 . . . A 50 ILE HG21 . 25008 1
394 . 1 1 50 50 ILE HG22 H 1 0.706 0.006 . 1 . . . A 50 ILE HG22 . 25008 1
395 . 1 1 50 50 ILE HG23 H 1 0.706 0.006 . 1 . . . A 50 ILE HG23 . 25008 1
396 . 1 1 50 50 ILE HD11 H 1 0.700 0.005 . 1 . . . A 50 ILE HD11 . 25008 1
397 . 1 1 50 50 ILE HD12 H 1 0.700 0.005 . 1 . . . A 50 ILE HD12 . 25008 1
398 . 1 1 50 50 ILE HD13 H 1 0.700 0.005 . 1 . . . A 50 ILE HD13 . 25008 1
399 . 1 1 50 50 ILE CG2 C 13 17.833 0.088 . 1 . . . A 50 ILE CG2 . 25008 1
400 . 1 1 50 50 ILE CD1 C 13 15.013 0.084 . 1 . . . A 50 ILE CD1 . 25008 1
401 . 1 1 50 50 ILE N N 15 119.290 0.025 . 1 . . . A 50 ILE N . 25008 1
402 . 1 1 51 51 GLU H H 1 9.404 0.003 . 1 . . . A 51 GLU H . 25008 1
403 . 1 1 51 51 GLU HA H 1 4.649 0.001 . 1 . . . A 51 GLU HA . 25008 1
404 . 1 1 51 51 GLU HB3 H 1 1.938 0.000 . 2 . . . A 51 GLU HB3 . 25008 1
405 . 1 1 51 51 GLU HG3 H 1 2.112 0.003 . 2 . . . A 51 GLU HG3 . 25008 1
406 . 1 1 51 51 GLU N N 15 127.647 0.024 . 1 . . . A 51 GLU N . 25008 1
407 . 1 1 52 52 GLN H H 1 8.856 0.003 . 1 . . . A 52 GLN H . 25008 1
408 . 1 1 52 52 GLN HA H 1 5.121 0.001 . 1 . . . A 52 GLN HA . 25008 1
409 . 1 1 52 52 GLN HB2 H 1 1.932 0.002 . 2 . . . A 52 GLN HB2 . 25008 1
410 . 1 1 52 52 GLN HB3 H 1 1.679 0.000 . 2 . . . A 52 GLN HB3 . 25008 1
411 . 1 1 52 52 GLN HG3 H 1 1.581 0.003 . 2 . . . A 52 GLN HG3 . 25008 1
412 . 1 1 52 52 GLN HE21 H 1 5.651 0.001 . 2 . . . A 52 GLN HE21 . 25008 1
413 . 1 1 52 52 GLN HE22 H 1 6.600 0.003 . 2 . . . A 52 GLN HE22 . 25008 1
414 . 1 1 52 52 GLN N N 15 124.651 0.008 . 1 . . . A 52 GLN N . 25008 1
415 . 1 1 52 52 GLN NE2 N 15 109.676 0.185 . 1 . . . A 52 GLN NE2 . 25008 1
416 . 1 1 53 53 CYS H H 1 8.600 0.004 . 1 . . . A 53 CYS H . 25008 1
417 . 1 1 53 53 CYS HA H 1 5.036 0.010 . 1 . . . A 53 CYS HA . 25008 1
418 . 1 1 53 53 CYS HB2 H 1 2.926 0.002 . 2 . . . A 53 CYS HB2 . 25008 1
419 . 1 1 53 53 CYS HB3 H 1 2.464 0.002 . 2 . . . A 53 CYS HB3 . 25008 1
420 . 1 1 53 53 CYS N N 15 123.201 0.007 . 1 . . . A 53 CYS N . 25008 1
421 . 1 1 54 54 THR H H 1 8.496 0.005 . 1 . . . A 54 THR H . 25008 1
422 . 1 1 54 54 THR HA H 1 4.688 0.003 . 1 . . . A 54 THR HA . 25008 1
423 . 1 1 54 54 THR HB H 1 4.361 0.003 . 1 . . . A 54 THR HB . 25008 1
424 . 1 1 54 54 THR HG21 H 1 1.273 0.005 . 1 . . . A 54 THR HG21 . 25008 1
425 . 1 1 54 54 THR HG22 H 1 1.273 0.005 . 1 . . . A 54 THR HG22 . 25008 1
426 . 1 1 54 54 THR HG23 H 1 1.273 0.005 . 1 . . . A 54 THR HG23 . 25008 1
427 . 1 1 54 54 THR CG2 C 13 22.127 0.088 . 1 . . . A 54 THR CG2 . 25008 1
428 . 1 1 54 54 THR N N 15 114.463 0.030 . 1 . . . A 54 THR N . 25008 1
429 . 1 1 55 55 ARG H H 1 8.652 0.006 . 1 . . . A 55 ARG H . 25008 1
430 . 1 1 55 55 ARG HA H 1 4.023 0.006 . 1 . . . A 55 ARG HA . 25008 1
431 . 1 1 55 55 ARG HB2 H 1 1.923 0.002 . 2 . . . A 55 ARG HB2 . 25008 1
432 . 1 1 55 55 ARG HB3 H 1 1.840 0.001 . 2 . . . A 55 ARG HB3 . 25008 1
433 . 1 1 55 55 ARG HG2 H 1 1.728 0.000 . 2 . . . A 55 ARG HG2 . 25008 1
434 . 1 1 55 55 ARG HG3 H 1 1.631 0.000 . 2 . . . A 55 ARG HG3 . 25008 1
435 . 1 1 55 55 ARG HD3 H 1 3.196 0.000 . 2 . . . A 55 ARG HD3 . 25008 1
436 . 1 1 55 55 ARG CA C 13 58.690 0.000 . 1 . . . A 55 ARG CA . 25008 1
437 . 1 1 55 55 ARG N N 15 122.555 0.012 . 1 . . . A 55 ARG N . 25008 1
438 . 1 1 56 56 GLY H H 1 8.752 0.002 . 1 . . . A 56 GLY H . 25008 1
439 . 1 1 56 56 GLY HA2 H 1 4.181 0.008 . 2 . . . A 56 GLY HA2 . 25008 1
440 . 1 1 56 56 GLY HA3 H 1 3.740 0.002 . 2 . . . A 56 GLY HA3 . 25008 1
441 . 1 1 56 56 GLY N N 15 111.748 0.000 . 1 . . . A 56 GLY N . 25008 1
442 . 1 1 57 57 SER H H 1 7.669 0.002 . 1 . . . A 57 SER H . 25008 1
443 . 1 1 57 57 SER HA H 1 4.401 0.001 . 1 . . . A 57 SER HA . 25008 1
444 . 1 1 57 57 SER HB3 H 1 3.851 0.008 . 2 . . . A 57 SER HB3 . 25008 1
445 . 1 1 57 57 SER CB C 13 64.887 0.000 . 1 . . . A 57 SER CB . 25008 1
446 . 1 1 57 57 SER N N 15 113.654 0.022 . 1 . . . A 57 SER N . 25008 1
447 . 1 1 58 58 LEU H H 1 6.986 0.002 . 1 . . . A 58 LEU H . 25008 1
448 . 1 1 58 58 LEU HA H 1 4.802 0.004 . 1 . . . A 58 LEU HA . 25008 1
449 . 1 1 58 58 LEU HB2 H 1 1.131 0.005 . 2 . . . A 58 LEU HB2 . 25008 1
450 . 1 1 58 58 LEU HB3 H 1 0.867 0.011 . 2 . . . A 58 LEU HB3 . 25008 1
451 . 1 1 58 58 LEU HG H 1 1.045 0.014 . 1 . . . A 58 LEU HG . 25008 1
452 . 1 1 58 58 LEU HD11 H 1 -0.014 0.003 . 1 . . . A 58 LEU HD11 . 25008 1
453 . 1 1 58 58 LEU HD12 H 1 -0.014 0.003 . 1 . . . A 58 LEU HD12 . 25008 1
454 . 1 1 58 58 LEU HD13 H 1 -0.014 0.003 . 1 . . . A 58 LEU HD13 . 25008 1
455 . 1 1 58 58 LEU HD21 H 1 0.366 0.005 . 1 . . . A 58 LEU HD21 . 25008 1
456 . 1 1 58 58 LEU HD22 H 1 0.366 0.005 . 1 . . . A 58 LEU HD22 . 25008 1
457 . 1 1 58 58 LEU HD23 H 1 0.366 0.005 . 1 . . . A 58 LEU HD23 . 25008 1
458 . 1 1 58 58 LEU CD1 C 13 25.230 0.088 . 1 . . . A 58 LEU CD1 . 25008 1
459 . 1 1 58 58 LEU CD2 C 13 23.925 0.000 . 1 . . . A 58 LEU CD2 . 25008 1
460 . 1 1 58 58 LEU N N 15 117.584 0.012 . 1 . . . A 58 LEU N . 25008 1
461 . 1 1 59 59 PHE H H 1 8.980 0.003 . 1 . . . A 59 PHE H . 25008 1
462 . 1 1 59 59 PHE HA H 1 4.448 0.003 . 1 . . . A 59 PHE HA . 25008 1
463 . 1 1 59 59 PHE HB2 H 1 2.889 0.005 . 2 . . . A 59 PHE HB2 . 25008 1
464 . 1 1 59 59 PHE HB3 H 1 2.579 0.001 . 2 . . . A 59 PHE HB3 . 25008 1
465 . 1 1 59 59 PHE HD2 H 1 7.064 0.007 . 3 . . . A 59 PHE HD2 . 25008 1
466 . 1 1 59 59 PHE HE1 H 1 7.203 0.000 . 3 . . . A 59 PHE HE1 . 25008 1
467 . 1 1 59 59 PHE N N 15 121.892 0.010 . 1 . . . A 59 PHE N . 25008 1
468 . 1 1 60 60 MET H H 1 8.985 0.006 . 1 . . . A 60 MET H . 25008 1
469 . 1 1 60 60 MET HA H 1 4.705 0.006 . 1 . . . A 60 MET HA . 25008 1
470 . 1 1 60 60 MET HB2 H 1 1.897 0.008 . 2 . . . A 60 MET HB2 . 25008 1
471 . 1 1 60 60 MET HB3 H 1 1.475 0.000 . 2 . . . A 60 MET HB3 . 25008 1
472 . 1 1 60 60 MET HG2 H 1 2.252 0.005 . 2 . . . A 60 MET HG2 . 25008 1
473 . 1 1 60 60 MET HG3 H 1 2.067 0.001 . 2 . . . A 60 MET HG3 . 25008 1
474 . 1 1 60 60 MET HE1 H 1 1.570 0.005 . 1 . . . A 60 MET HE1 . 25008 1
475 . 1 1 60 60 MET HE2 H 1 1.570 0.005 . 1 . . . A 60 MET HE2 . 25008 1
476 . 1 1 60 60 MET HE3 H 1 1.570 0.005 . 1 . . . A 60 MET HE3 . 25008 1
477 . 1 1 60 60 MET CA C 13 54.738 0.000 . 1 . . . A 60 MET CA . 25008 1
478 . 1 1 60 60 MET CB C 13 35.571 0.000 . 1 . . . A 60 MET CB . 25008 1
479 . 1 1 60 60 MET CE C 13 16.146 0.086 . 1 . . . A 60 MET CE . 25008 1
480 . 1 1 60 60 MET N N 15 125.165 0.010 . 1 . . . A 60 MET N . 25008 1
481 . 1 1 61 61 CYS H H 1 8.981 0.003 . 1 . . . A 61 CYS H . 25008 1
482 . 1 1 61 61 CYS HA H 1 4.366 0.005 . 1 . . . A 61 CYS HA . 25008 1
483 . 1 1 61 61 CYS HB2 H 1 3.279 0.001 . 2 . . . A 61 CYS HB2 . 25008 1
484 . 1 1 61 61 CYS HB3 H 1 2.773 0.005 . 2 . . . A 61 CYS HB3 . 25008 1
485 . 1 1 61 61 CYS CA C 13 62.054 0.060 . 1 . . . A 61 CYS CA . 25008 1
486 . 1 1 61 61 CYS CB C 13 29.410 0.000 . 1 . . . A 61 CYS CB . 25008 1
487 . 1 1 61 61 CYS N N 15 129.989 0.029 . 1 . . . A 61 CYS N . 25008 1
488 . 1 1 62 62 SER H H 1 8.749 0.004 . 1 . . . A 62 SER H . 25008 1
489 . 1 1 62 62 SER HA H 1 4.846 0.000 . 1 . . . A 62 SER HA . 25008 1
490 . 1 1 62 62 SER N N 15 124.327 0.093 . 1 . . . A 62 SER N . 25008 1
491 . 1 1 63 63 ILE H H 1 8.160 0.006 . 1 . . . A 63 ILE H . 25008 1
492 . 1 1 63 63 ILE HA H 1 3.962 0.000 . 1 . . . A 63 ILE HA . 25008 1
493 . 1 1 63 63 ILE HB H 1 1.685 0.000 . 1 . . . A 63 ILE HB . 25008 1
494 . 1 1 63 63 ILE HG12 H 1 1.615 0.000 . 2 . . . A 63 ILE HG12 . 25008 1
495 . 1 1 63 63 ILE HG13 H 1 1.349 0.000 . 2 . . . A 63 ILE HG13 . 25008 1
496 . 1 1 63 63 ILE HG21 H 1 0.824 0.003 . 1 . . . A 63 ILE HG21 . 25008 1
497 . 1 1 63 63 ILE HG22 H 1 0.824 0.003 . 1 . . . A 63 ILE HG22 . 25008 1
498 . 1 1 63 63 ILE HG23 H 1 0.824 0.003 . 1 . . . A 63 ILE HG23 . 25008 1
499 . 1 1 63 63 ILE HD11 H 1 0.829 0.003 . 1 . . . A 63 ILE HD11 . 25008 1
500 . 1 1 63 63 ILE HD12 H 1 0.829 0.003 . 1 . . . A 63 ILE HD12 . 25008 1
501 . 1 1 63 63 ILE HD13 H 1 0.829 0.003 . 1 . . . A 63 ILE HD13 . 25008 1
502 . 1 1 63 63 ILE CG2 C 13 18.530 0.000 . 1 . . . A 63 ILE CG2 . 25008 1
503 . 1 1 63 63 ILE CD1 C 13 11.725 0.108 . 1 . . . A 63 ILE CD1 . 25008 1
504 . 1 1 63 63 ILE N N 15 123.145 0.021 . 1 . . . A 63 ILE N . 25008 1
505 . 1 1 64 64 VAL HG11 H 1 0.467 0.006 . 1 . . . A 64 VAL HG11 . 25008 1
506 . 1 1 64 64 VAL HG12 H 1 0.467 0.006 . 1 . . . A 64 VAL HG12 . 25008 1
507 . 1 1 64 64 VAL HG13 H 1 0.467 0.006 . 1 . . . A 64 VAL HG13 . 25008 1
508 . 1 1 64 64 VAL HG21 H 1 0.758 0.001 . 1 . . . A 64 VAL HG21 . 25008 1
509 . 1 1 64 64 VAL HG22 H 1 0.758 0.001 . 1 . . . A 64 VAL HG22 . 25008 1
510 . 1 1 64 64 VAL HG23 H 1 0.758 0.001 . 1 . . . A 64 VAL HG23 . 25008 1
511 . 1 1 64 64 VAL CG1 C 13 20.183 0.000 . 1 . . . A 64 VAL CG1 . 25008 1
512 . 1 1 64 64 VAL CG2 C 13 21.643 0.000 . 1 . . . A 64 VAL CG2 . 25008 1
513 . 1 1 65 65 GLN HA H 1 4.034 0.001 . 1 . . . A 65 GLN HA . 25008 1
514 . 1 1 65 65 GLN HE21 H 1 6.851 0.006 . 2 . . . A 65 GLN HE21 . 25008 1
515 . 1 1 65 65 GLN HE22 H 1 7.524 0.000 . 2 . . . A 65 GLN HE22 . 25008 1
516 . 1 1 65 65 GLN NE2 N 15 112.374 0.034 . 1 . . . A 65 GLN NE2 . 25008 1
517 . 1 1 66 66 GLY H H 1 8.599 0.007 . 1 . . . A 66 GLY H . 25008 1
518 . 1 1 66 66 GLY HA2 H 1 3.919 0.004 . 2 . . . A 66 GLY HA2 . 25008 1
519 . 1 1 66 66 GLY HA3 H 1 3.846 0.010 . 2 . . . A 66 GLY HA3 . 25008 1
520 . 1 1 66 66 GLY N N 15 107.573 0.009 . 1 . . . A 66 GLY N . 25008 1
521 . 1 1 67 67 CYS H H 1 7.586 0.004 . 1 . . . A 67 CYS H . 25008 1
522 . 1 1 67 67 CYS HA H 1 4.627 0.004 . 1 . . . A 67 CYS HA . 25008 1
523 . 1 1 67 67 CYS HB2 H 1 3.163 0.005 . 2 . . . A 67 CYS HB2 . 25008 1
524 . 1 1 67 67 CYS HB3 H 1 2.888 0.003 . 2 . . . A 67 CYS HB3 . 25008 1
525 . 1 1 67 67 CYS N N 15 122.673 0.010 . 1 . . . A 67 CYS N . 25008 1
526 . 1 1 68 68 LYS H H 1 8.470 0.014 . 1 . . . A 68 LYS H . 25008 1
527 . 1 1 68 68 LYS HA H 1 4.355 0.000 . 1 . . . A 68 LYS HA . 25008 1
528 . 1 1 69 69 ARG H H 1 7.840 0.003 . 1 . . . A 69 ARG H . 25008 1
529 . 1 1 69 69 ARG HA H 1 3.782 0.000 . 1 . . . A 69 ARG HA . 25008 1
530 . 1 1 69 69 ARG HB2 H 1 1.363 0.005 . 2 . . . A 69 ARG HB2 . 25008 1
531 . 1 1 69 69 ARG HB3 H 1 1.269 0.005 . 2 . . . A 69 ARG HB3 . 25008 1
532 . 1 1 69 69 ARG HG2 H 1 1.931 0.000 . 2 . . . A 69 ARG HG2 . 25008 1
533 . 1 1 69 69 ARG HG3 H 1 1.592 0.000 . 2 . . . A 69 ARG HG3 . 25008 1
534 . 1 1 69 69 ARG N N 15 120.756 0.030 . 1 . . . A 69 ARG N . 25008 1
535 . 1 1 70 70 THR H H 1 7.304 0.003 . 1 . . . A 70 THR H . 25008 1
536 . 1 1 70 70 THR HA H 1 5.153 0.002 . 1 . . . A 70 THR HA . 25008 1
537 . 1 1 70 70 THR HB H 1 3.659 0.008 . 1 . . . A 70 THR HB . 25008 1
538 . 1 1 70 70 THR HG21 H 1 0.992 0.007 . 1 . . . A 70 THR HG21 . 25008 1
539 . 1 1 70 70 THR HG22 H 1 0.992 0.007 . 1 . . . A 70 THR HG22 . 25008 1
540 . 1 1 70 70 THR HG23 H 1 0.992 0.007 . 1 . . . A 70 THR HG23 . 25008 1
541 . 1 1 70 70 THR CG2 C 13 22.673 0.078 . 1 . . . A 70 THR CG2 . 25008 1
542 . 1 1 70 70 THR N N 15 109.114 0.015 . 1 . . . A 70 THR N . 25008 1
543 . 1 1 71 71 TYR H H 1 8.709 0.002 . 1 . . . A 71 TYR H . 25008 1
544 . 1 1 71 71 TYR HA H 1 4.332 0.003 . 1 . . . A 71 TYR HA . 25008 1
545 . 1 1 71 71 TYR HB2 H 1 3.294 0.005 . 2 . . . A 71 TYR HB2 . 25008 1
546 . 1 1 71 71 TYR HB3 H 1 2.542 0.002 . 2 . . . A 71 TYR HB3 . 25008 1
547 . 1 1 71 71 TYR HD2 H 1 6.961 0.003 . 3 . . . A 71 TYR HD2 . 25008 1
548 . 1 1 71 71 TYR N N 15 118.532 0.009 . 1 . . . A 71 TYR N . 25008 1
549 . 1 1 72 72 LEU H H 1 9.603 0.003 . 1 . . . A 72 LEU H . 25008 1
550 . 1 1 72 72 LEU HA H 1 4.939 0.003 . 1 . . . A 72 LEU HA . 25008 1
551 . 1 1 72 72 LEU HB2 H 1 1.890 0.005 . 2 . . . A 72 LEU HB2 . 25008 1
552 . 1 1 72 72 LEU HB3 H 1 1.791 0.003 . 2 . . . A 72 LEU HB3 . 25008 1
553 . 1 1 72 72 LEU HG H 1 1.522 0.002 . 1 . . . A 72 LEU HG . 25008 1
554 . 1 1 72 72 LEU HD11 H 1 0.757 0.004 . 1 . . . A 72 LEU HD11 . 25008 1
555 . 1 1 72 72 LEU HD12 H 1 0.757 0.004 . 1 . . . A 72 LEU HD12 . 25008 1
556 . 1 1 72 72 LEU HD13 H 1 0.757 0.004 . 1 . . . A 72 LEU HD13 . 25008 1
557 . 1 1 72 72 LEU HD21 H 1 0.927 0.002 . 1 . . . A 72 LEU HD21 . 25008 1
558 . 1 1 72 72 LEU HD22 H 1 0.927 0.002 . 1 . . . A 72 LEU HD22 . 25008 1
559 . 1 1 72 72 LEU HD23 H 1 0.927 0.002 . 1 . . . A 72 LEU HD23 . 25008 1
560 . 1 1 72 72 LEU CD1 C 13 22.540 0.139 . 1 . . . A 72 LEU CD1 . 25008 1
561 . 1 1 72 72 LEU CD2 C 13 25.536 0.000 . 1 . . . A 72 LEU CD2 . 25008 1
562 . 1 1 72 72 LEU N N 15 119.755 0.006 . 1 . . . A 72 LEU N . 25008 1
563 . 1 1 73 73 SER H H 1 7.419 0.002 . 1 . . . A 73 SER H . 25008 1
564 . 1 1 73 73 SER HA H 1 4.325 0.000 . 1 . . . A 73 SER HA . 25008 1
565 . 1 1 73 73 SER HB2 H 1 3.938 0.001 . 2 . . . A 73 SER HB2 . 25008 1
566 . 1 1 73 73 SER HB3 H 1 3.857 0.002 . 2 . . . A 73 SER HB3 . 25008 1
567 . 1 1 73 73 SER N N 15 109.858 0.081 . 1 . . . A 73 SER N . 25008 1
568 . 1 1 74 74 GLN H H 1 8.338 0.005 . 1 . . . A 74 GLN H . 25008 1
569 . 1 1 74 74 GLN HA H 1 3.320 0.005 . 1 . . . A 74 GLN HA . 25008 1
570 . 1 1 74 74 GLN HB2 H 1 1.704 0.000 . 2 . . . A 74 GLN HB2 . 25008 1
571 . 1 1 74 74 GLN HB3 H 1 1.646 0.000 . 2 . . . A 74 GLN HB3 . 25008 1
572 . 1 1 74 74 GLN HG3 H 1 2.022 0.002 . 2 . . . A 74 GLN HG3 . 25008 1
573 . 1 1 74 74 GLN HE22 H 1 7.206 0.000 . 2 . . . A 74 GLN HE22 . 25008 1
574 . 1 1 74 74 GLN N N 15 123.286 0.021 . 1 . . . A 74 GLN N . 25008 1
575 . 1 1 74 74 GLN NE2 N 15 111.115 0.000 . 1 . . . A 74 GLN NE2 . 25008 1
576 . 1 1 75 75 ARG H H 1 8.166 0.002 . 1 . . . A 75 ARG H . 25008 1
577 . 1 1 75 75 ARG HA H 1 3.910 0.004 . 1 . . . A 75 ARG HA . 25008 1
578 . 1 1 75 75 ARG HB2 H 1 1.758 0.018 . 2 . . . A 75 ARG HB2 . 25008 1
579 . 1 1 75 75 ARG HB3 H 1 1.637 0.004 . 2 . . . A 75 ARG HB3 . 25008 1
580 . 1 1 75 75 ARG HG3 H 1 1.504 0.007 . 2 . . . A 75 ARG HG3 . 25008 1
581 . 1 1 75 75 ARG HD2 H 1 3.107 0.001 . 1 . . . A 75 ARG HD2 . 25008 1
582 . 1 1 75 75 ARG N N 15 119.374 0.037 . 1 . . . A 75 ARG N . 25008 1
583 . 1 1 76 76 ASP H H 1 7.751 0.002 . 1 . . . A 76 ASP H . 25008 1
584 . 1 1 76 76 ASP HA H 1 4.282 0.004 . 1 . . . A 76 ASP HA . 25008 1
585 . 1 1 76 76 ASP HB2 H 1 2.830 0.003 . 2 . . . A 76 ASP HB2 . 25008 1
586 . 1 1 76 76 ASP HB3 H 1 2.724 0.006 . 2 . . . A 76 ASP HB3 . 25008 1
587 . 1 1 76 76 ASP N N 15 121.109 0.037 . 1 . . . A 76 ASP N . 25008 1
588 . 1 1 77 77 LEU H H 1 7.420 0.002 . 1 . . . A 77 LEU H . 25008 1
589 . 1 1 77 77 LEU HA H 1 3.467 0.002 . 1 . . . A 77 LEU HA . 25008 1
590 . 1 1 77 77 LEU HB2 H 1 1.912 0.007 . 2 . . . A 77 LEU HB2 . 25008 1
591 . 1 1 77 77 LEU HB3 H 1 1.343 0.001 . 2 . . . A 77 LEU HB3 . 25008 1
592 . 1 1 77 77 LEU HG H 1 1.534 0.003 . 1 . . . A 77 LEU HG . 25008 1
593 . 1 1 77 77 LEU HD11 H 1 0.990 0.008 . 1 . . . A 77 LEU HD11 . 25008 1
594 . 1 1 77 77 LEU HD12 H 1 0.990 0.008 . 1 . . . A 77 LEU HD12 . 25008 1
595 . 1 1 77 77 LEU HD13 H 1 0.990 0.008 . 1 . . . A 77 LEU HD13 . 25008 1
596 . 1 1 77 77 LEU HD21 H 1 1.052 0.013 . 1 . . . A 77 LEU HD21 . 25008 1
597 . 1 1 77 77 LEU HD22 H 1 1.052 0.013 . 1 . . . A 77 LEU HD22 . 25008 1
598 . 1 1 77 77 LEU HD23 H 1 1.052 0.013 . 1 . . . A 77 LEU HD23 . 25008 1
599 . 1 1 77 77 LEU CG C 13 27.515 0.000 . 1 . . . A 77 LEU CG . 25008 1
600 . 1 1 77 77 LEU CD1 C 13 26.793 0.106 . 1 . . . A 77 LEU CD1 . 25008 1
601 . 1 1 77 77 LEU CD2 C 13 22.715 0.093 . 1 . . . A 77 LEU CD2 . 25008 1
602 . 1 1 77 77 LEU N N 15 122.814 0.068 . 1 . . . A 77 LEU N . 25008 1
603 . 1 1 78 78 GLN H H 1 8.572 0.002 . 1 . . . A 78 GLN H . 25008 1
604 . 1 1 78 78 GLN HA H 1 3.755 0.002 . 1 . . . A 78 GLN HA . 25008 1
605 . 1 1 78 78 GLN HB2 H 1 2.090 0.006 . 2 . . . A 78 GLN HB2 . 25008 1
606 . 1 1 78 78 GLN HB3 H 1 2.000 0.006 . 2 . . . A 78 GLN HB3 . 25008 1
607 . 1 1 78 78 GLN HG3 H 1 2.339 0.002 . 2 . . . A 78 GLN HG3 . 25008 1
608 . 1 1 78 78 GLN HE21 H 1 6.859 0.000 . 2 . . . A 78 GLN HE21 . 25008 1
609 . 1 1 78 78 GLN HE22 H 1 7.300 0.000 . 2 . . . A 78 GLN HE22 . 25008 1
610 . 1 1 78 78 GLN N N 15 118.892 0.024 . 1 . . . A 78 GLN N . 25008 1
611 . 1 1 78 78 GLN NE2 N 15 113.083 0.003 . 1 . . . A 78 GLN NE2 . 25008 1
612 . 1 1 79 79 ALA H H 1 7.831 0.003 . 1 . . . A 79 ALA H . 25008 1
613 . 1 1 79 79 ALA HA H 1 4.026 0.003 . 1 . . . A 79 ALA HA . 25008 1
614 . 1 1 79 79 ALA HB1 H 1 1.400 0.007 . 1 . . . A 79 ALA HB1 . 25008 1
615 . 1 1 79 79 ALA HB2 H 1 1.400 0.007 . 1 . . . A 79 ALA HB2 . 25008 1
616 . 1 1 79 79 ALA HB3 H 1 1.400 0.007 . 1 . . . A 79 ALA HB3 . 25008 1
617 . 1 1 79 79 ALA CB C 13 17.935 0.000 . 1 . . . A 79 ALA CB . 25008 1
618 . 1 1 79 79 ALA N N 15 121.251 0.009 . 1 . . . A 79 ALA N . 25008 1
619 . 1 1 80 80 HIS H H 1 7.323 0.002 . 1 . . . A 80 HIS H . 25008 1
620 . 1 1 80 80 HIS HA H 1 4.477 0.003 . 1 . . . A 80 HIS HA . 25008 1
621 . 1 1 80 80 HIS HB2 H 1 3.089 0.005 . 2 . . . A 80 HIS HB2 . 25008 1
622 . 1 1 80 80 HIS HB3 H 1 2.822 0.006 . 2 . . . A 80 HIS HB3 . 25008 1
623 . 1 1 80 80 HIS HD2 H 1 7.027 0.009 . 1 . . . A 80 HIS HD2 . 25008 1
624 . 1 1 80 80 HIS CD2 C 13 127.312 0.025 . 1 . . . A 80 HIS CD2 . 25008 1
625 . 1 1 80 80 HIS N N 15 119.414 0.042 . 1 . . . A 80 HIS N . 25008 1
626 . 1 1 81 81 ILE H H 1 8.589 0.001 . 1 . . . A 81 ILE H . 25008 1
627 . 1 1 81 81 ILE HA H 1 3.193 0.003 . 1 . . . A 81 ILE HA . 25008 1
628 . 1 1 81 81 ILE HB H 1 1.857 0.000 . 1 . . . A 81 ILE HB . 25008 1
629 . 1 1 81 81 ILE HG12 H 1 2.105 0.004 . 2 . . . A 81 ILE HG12 . 25008 1
630 . 1 1 81 81 ILE HG13 H 1 1.299 0.000 . 2 . . . A 81 ILE HG13 . 25008 1
631 . 1 1 81 81 ILE HG21 H 1 0.941 0.008 . 1 . . . A 81 ILE HG21 . 25008 1
632 . 1 1 81 81 ILE HG22 H 1 0.941 0.008 . 1 . . . A 81 ILE HG22 . 25008 1
633 . 1 1 81 81 ILE HG23 H 1 0.941 0.008 . 1 . . . A 81 ILE HG23 . 25008 1
634 . 1 1 81 81 ILE HD11 H 1 0.966 0.002 . 1 . . . A 81 ILE HD11 . 25008 1
635 . 1 1 81 81 ILE HD12 H 1 0.966 0.002 . 1 . . . A 81 ILE HD12 . 25008 1
636 . 1 1 81 81 ILE HD13 H 1 0.966 0.002 . 1 . . . A 81 ILE HD13 . 25008 1
637 . 1 1 81 81 ILE CG2 C 13 17.715 0.000 . 1 . . . A 81 ILE CG2 . 25008 1
638 . 1 1 81 81 ILE CD1 C 13 14.287 0.064 . 1 . . . A 81 ILE CD1 . 25008 1
639 . 1 1 81 81 ILE N N 15 121.812 0.005 . 1 . . . A 81 ILE N . 25008 1
640 . 1 1 82 82 ASN H H 1 8.279 0.003 . 1 . . . A 82 ASN H . 25008 1
641 . 1 1 82 82 ASN HA H 1 4.329 0.003 . 1 . . . A 82 ASN HA . 25008 1
642 . 1 1 82 82 ASN HB3 H 1 2.725 0.003 . 2 . . . A 82 ASN HB3 . 25008 1
643 . 1 1 82 82 ASN HD21 H 1 6.880 0.002 . 2 . . . A 82 ASN HD21 . 25008 1
644 . 1 1 82 82 ASN HD22 H 1 7.412 0.003 . 2 . . . A 82 ASN HD22 . 25008 1
645 . 1 1 82 82 ASN N N 15 117.184 0.036 . 1 . . . A 82 ASN N . 25008 1
646 . 1 1 82 82 ASN ND2 N 15 110.896 0.222 . 1 . . . A 82 ASN ND2 . 25008 1
647 . 1 1 83 83 HIS H H 1 7.803 0.004 . 1 . . . A 83 HIS H . 25008 1
648 . 1 1 83 83 HIS HA H 1 4.597 0.002 . 1 . . . A 83 HIS HA . 25008 1
649 . 1 1 83 83 HIS HB3 H 1 3.186 0.004 . 2 . . . A 83 HIS HB3 . 25008 1
650 . 1 1 83 83 HIS HD2 H 1 6.910 0.281 . 1 . . . A 83 HIS HD2 . 25008 1
651 . 1 1 83 83 HIS CD2 C 13 127.936 0.000 . 1 . . . A 83 HIS CD2 . 25008 1
652 . 1 1 83 83 HIS N N 15 115.810 0.031 . 1 . . . A 83 HIS N . 25008 1
653 . 1 1 84 84 ARG H H 1 8.332 0.003 . 1 . . . A 84 ARG H . 25008 1
654 . 1 1 84 84 ARG HA H 1 4.072 0.001 . 1 . . . A 84 ARG HA . 25008 1
655 . 1 1 84 84 ARG HB2 H 1 1.137 0.004 . 2 . . . A 84 ARG HB2 . 25008 1
656 . 1 1 84 84 ARG HB3 H 1 0.417 0.003 . 2 . . . A 84 ARG HB3 . 25008 1
657 . 1 1 84 84 ARG HG3 H 1 1.473 0.001 . 2 . . . A 84 ARG HG3 . 25008 1
658 . 1 1 84 84 ARG HD2 H 1 2.804 0.000 . 2 . . . A 84 ARG HD2 . 25008 1
659 . 1 1 84 84 ARG HD3 H 1 2.569 0.003 . 2 . . . A 84 ARG HD3 . 25008 1
660 . 1 1 84 84 ARG N N 15 112.636 0.086 . 1 . . . A 84 ARG N . 25008 1
661 . 1 1 85 85 HIS H H 1 7.874 0.004 . 1 . . . A 85 HIS H . 25008 1
662 . 1 1 85 85 HIS HA H 1 5.219 0.005 . 1 . . . A 85 HIS HA . 25008 1
663 . 1 1 85 85 HIS HB2 H 1 3.200 0.001 . 2 . . . A 85 HIS HB2 . 25008 1
664 . 1 1 85 85 HIS HB3 H 1 3.053 0.003 . 2 . . . A 85 HIS HB3 . 25008 1
665 . 1 1 85 85 HIS HD2 H 1 6.498 0.000 . 1 . . . A 85 HIS HD2 . 25008 1
666 . 1 1 85 85 HIS N N 15 114.050 0.102 . 1 . . . A 85 HIS N . 25008 1
667 . 1 1 86 86 MET H H 1 7.703 0.005 . 1 . . . A 86 MET H . 25008 1
668 . 1 1 86 86 MET HA H 1 4.575 0.006 . 1 . . . A 86 MET HA . 25008 1
669 . 1 1 86 86 MET HB3 H 1 2.095 0.002 . 2 . . . A 86 MET HB3 . 25008 1
670 . 1 1 86 86 MET HG2 H 1 2.600 0.008 . 2 . . . A 86 MET HG2 . 25008 1
671 . 1 1 86 86 MET HG3 H 1 2.480 0.003 . 2 . . . A 86 MET HG3 . 25008 1
672 . 1 1 86 86 MET HE1 H 1 2.009 0.000 . 1 . . . A 86 MET HE1 . 25008 1
673 . 1 1 86 86 MET HE2 H 1 2.009 0.000 . 1 . . . A 86 MET HE2 . 25008 1
674 . 1 1 86 86 MET HE3 H 1 2.009 0.000 . 1 . . . A 86 MET HE3 . 25008 1
675 . 1 1 86 86 MET CE C 13 17.339 0.000 . 1 . . . A 86 MET CE . 25008 1
676 . 1 1 86 86 MET N N 15 118.908 0.008 . 1 . . . A 86 MET N . 25008 1
677 . 1 1 87 87 ARG H H 1 8.129 0.007 . 1 . . . A 87 ARG H . 25008 1
678 . 1 1 87 87 ARG HA H 1 4.330 0.000 . 1 . . . A 87 ARG HA . 25008 1
679 . 1 1 87 87 ARG HB2 H 1 1.829 0.001 . 2 . . . A 87 ARG HB2 . 25008 1
680 . 1 1 87 87 ARG HB3 H 1 1.728 0.000 . 2 . . . A 87 ARG HB3 . 25008 1
681 . 1 1 87 87 ARG HG3 H 1 1.567 0.000 . 2 . . . A 87 ARG HG3 . 25008 1
682 . 1 1 87 87 ARG N N 15 121.346 0.008 . 1 . . . A 87 ARG N . 25008 1
683 . 1 1 88 88 ALA H H 1 8.325 0.004 . 1 . . . A 88 ALA H . 25008 1
684 . 1 1 88 88 ALA HA H 1 4.330 0.002 . 1 . . . A 88 ALA HA . 25008 1
685 . 1 1 88 88 ALA HB1 H 1 1.352 0.004 . 1 . . . A 88 ALA HB1 . 25008 1
686 . 1 1 88 88 ALA HB2 H 1 1.352 0.004 . 1 . . . A 88 ALA HB2 . 25008 1
687 . 1 1 88 88 ALA HB3 H 1 1.352 0.004 . 1 . . . A 88 ALA HB3 . 25008 1
688 . 1 1 88 88 ALA CB C 13 19.070 0.000 . 1 . . . A 88 ALA CB . 25008 1
689 . 1 1 88 88 ALA N N 15 126.172 0.035 . 1 . . . A 88 ALA N . 25008 1
690 . 1 1 89 89 GLY H H 1 7.896 0.002 . 1 . . . A 89 GLY H . 25008 1
691 . 1 1 89 89 GLY HA3 H 1 3.708 0.000 . 2 . . . A 89 GLY HA3 . 25008 1
692 . 1 1 89 89 GLY N N 15 114.781 0.029 . 1 . . . A 89 GLY N . 25008 1
stop_
save_