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 16620
_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 '3D HNCO' . . . 16620 1
2 '3D HNCA' . . . 16620 1
3 '3D CBCA(CO)NH' . . . 16620 1
4 '3D HBHA(CO)NH' . . . 16620 1
5 '3D HCCH-TOCSY' . . . 16620 1
6 '3D (H)CCH-TOCSY' . . . 16620 1
7 '3D 1H-15N NOESY' . . . 16620 1
8 '3D 1H-13C NOESY' . . . 16620 1
9 '3D 1H-13C_arom NOESY' . . . 16620 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $NMRPipe . . 16620 1
2 $SPARKY . . 16620 1
3 $FMC . . 16620 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.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 20 20 LYS HA H 1 4.205 0.04 . 1 . . . . . 2 LYS HA . 16620 1
2 . 1 1 20 20 LYS HB2 H 1 1.785 0.04 . 2 . . . . . 2 LYS HB2 . 16620 1
3 . 1 1 20 20 LYS HB3 H 1 1.676 0.04 . 2 . . . . . 2 LYS HB3 . 16620 1
4 . 1 1 20 20 LYS HD2 H 1 1.522 0.04 . 2 . . . . . 2 LYS HD2 . 16620 1
5 . 1 1 20 20 LYS HD3 H 1 1.522 0.04 . 2 . . . . . 2 LYS HD3 . 16620 1
6 . 1 1 20 20 LYS HE2 H 1 3.072 0.04 . 2 . . . . . 2 LYS HE2 . 16620 1
7 . 1 1 20 20 LYS HE3 H 1 3.072 0.04 . 2 . . . . . 2 LYS HE3 . 16620 1
8 . 1 1 20 20 LYS C C 13 176.538 0.4 . 1 . . . . . 2 LYS C . 16620 1
9 . 1 1 20 20 LYS CA C 13 56.364 0.40 . 1 . . . . . 2 LYS CA . 16620 1
10 . 1 1 20 20 LYS CB C 13 30.708 0.40 . 1 . . . . . 2 LYS CB . 16620 1
11 . 1 1 20 20 LYS CD C 13 27.169 0.40 . 1 . . . . . 2 LYS CD . 16620 1
12 . 1 1 20 20 LYS CE C 13 43.300 0.40 . 1 . . . . . 2 LYS CE . 16620 1
13 . 1 1 21 21 ARG H H 1 8.541 0.04 . 1 . . . . . 3 ARG H . 16620 1
14 . 1 1 21 21 ARG N N 15 120.785 0.40 . 1 . . . . . 3 ARG N . 16620 1
15 . 1 1 22 22 ALA HA H 1 4.082 0.04 . 1 . . . . . 4 ALA HA . 16620 1
16 . 1 1 22 22 ALA HB1 H 1 1.373 0.04 . 1 . . . . . 4 ALA HB . 16620 1
17 . 1 1 22 22 ALA HB2 H 1 1.373 0.04 . 1 . . . . . 4 ALA HB . 16620 1
18 . 1 1 22 22 ALA HB3 H 1 1.373 0.04 . 1 . . . . . 4 ALA HB . 16620 1
19 . 1 1 22 22 ALA CA C 13 54.047 0.40 . 1 . . . . . 4 ALA CA . 16620 1
20 . 1 1 22 22 ALA CB C 13 18.824 0.40 . 1 . . . . . 4 ALA CB . 16620 1
21 . 1 1 23 23 ALA HA H 1 4.177 0.04 . 1 . . . . . 5 ALA HA . 16620 1
22 . 1 1 23 23 ALA HB1 H 1 1.412 0.04 . 1 . . . . . 5 ALA HB . 16620 1
23 . 1 1 23 23 ALA HB2 H 1 1.412 0.04 . 1 . . . . . 5 ALA HB . 16620 1
24 . 1 1 23 23 ALA HB3 H 1 1.412 0.04 . 1 . . . . . 5 ALA HB . 16620 1
25 . 1 1 23 23 ALA C C 13 178.940 0.4 . 1 . . . . . 5 ALA C . 16620 1
26 . 1 1 23 23 ALA CA C 13 53.798 0.40 . 1 . . . . . 5 ALA CA . 16620 1
27 . 1 1 23 23 ALA CB C 13 18.753 0.40 . 1 . . . . . 5 ALA CB . 16620 1
28 . 1 1 24 24 ALA H H 1 7.783 0.04 . 1 . . . . . 6 ALA H . 16620 1
29 . 1 1 24 24 ALA HA H 1 4.007 0.04 . 1 . . . . . 6 ALA HA . 16620 1
30 . 1 1 24 24 ALA HB1 H 1 1.279 0.04 . 1 . . . . . 6 ALA HB . 16620 1
31 . 1 1 24 24 ALA HB2 H 1 1.279 0.04 . 1 . . . . . 6 ALA HB . 16620 1
32 . 1 1 24 24 ALA HB3 H 1 1.279 0.04 . 1 . . . . . 6 ALA HB . 16620 1
33 . 1 1 24 24 ALA C C 13 178.203 0.4 . 1 . . . . . 6 ALA C . 16620 1
34 . 1 1 24 24 ALA CA C 13 54.590 0.40 . 1 . . . . . 6 ALA CA . 16620 1
35 . 1 1 24 24 ALA CB C 13 18.494 0.40 . 1 . . . . . 6 ALA CB . 16620 1
36 . 1 1 24 24 ALA N N 15 121.484 0.40 . 1 . . . . . 6 ALA N . 16620 1
37 . 1 1 25 25 LYS H H 1 7.921 0.04 . 1 . . . . . 7 LYS H . 16620 1
38 . 1 1 25 25 LYS HA H 1 3.723 0.04 . 1 . . . . . 7 LYS HA . 16620 1
39 . 1 1 25 25 LYS HB2 H 1 1.686 0.04 . 2 . . . . . 7 LYS HB2 . 16620 1
40 . 1 1 25 25 LYS HB3 H 1 1.686 0.04 . 2 . . . . . 7 LYS HB3 . 16620 1
41 . 1 1 25 25 LYS HD2 H 1 1.526 0.04 . 2 . . . . . 7 LYS HD2 . 16620 1
42 . 1 1 25 25 LYS HD3 H 1 1.526 0.04 . 2 . . . . . 7 LYS HD3 . 16620 1
43 . 1 1 25 25 LYS HE2 H 1 2.836 0.04 . 2 . . . . . 7 LYS HE2 . 16620 1
44 . 1 1 25 25 LYS HE3 H 1 2.836 0.04 . 2 . . . . . 7 LYS HE3 . 16620 1
45 . 1 1 25 25 LYS HG2 H 1 1.300 0.04 . 2 . . . . . 7 LYS HG2 . 16620 1
46 . 1 1 25 25 LYS HG3 H 1 1.208 0.04 . 2 . . . . . 7 LYS HG3 . 16620 1
47 . 1 1 25 25 LYS C C 13 178.121 0.4 . 1 . . . . . 7 LYS C . 16620 1
48 . 1 1 25 25 LYS CA C 13 59.475 0.40 . 1 . . . . . 7 LYS CA . 16620 1
49 . 1 1 25 25 LYS CB C 13 32.382 0.40 . 1 . . . . . 7 LYS CB . 16620 1
50 . 1 1 25 25 LYS CD C 13 29.380 0.40 . 1 . . . . . 7 LYS CD . 16620 1
51 . 1 1 25 25 LYS CE C 13 42.044 0.40 . 1 . . . . . 7 LYS CE . 16620 1
52 . 1 1 25 25 LYS CG C 13 24.713 0.40 . 1 . . . . . 7 LYS CG . 16620 1
53 . 1 1 25 25 LYS N N 15 117.083 0.40 . 1 . . . . . 7 LYS N . 16620 1
54 . 1 1 26 26 HIS H H 1 7.810 0.04 . 1 . . . . . 8 HIS H . 16620 1
55 . 1 1 26 26 HIS HA H 1 4.327 0.04 . 1 . . . . . 8 HIS HA . 16620 1
56 . 1 1 26 26 HIS HB2 H 1 3.102 0.04 . 2 . . . . . 8 HIS HB2 . 16620 1
57 . 1 1 26 26 HIS HB3 H 1 3.102 0.04 . 2 . . . . . 8 HIS HB3 . 16620 1
58 . 1 1 26 26 HIS C C 13 175.774 0.4 . 1 . . . . . 8 HIS C . 16620 1
59 . 1 1 26 26 HIS CA C 13 58.657 0.40 . 1 . . . . . 8 HIS CA . 16620 1
60 . 1 1 26 26 HIS CB C 13 30.271 0.40 . 1 . . . . . 8 HIS CB . 16620 1
61 . 1 1 26 26 HIS N N 15 117.117 0.40 . 1 . . . . . 8 HIS N . 16620 1
62 . 1 1 27 27 LEU H H 1 7.710 0.04 . 1 . . . . . 9 LEU H . 16620 1
63 . 1 1 27 27 LEU HA H 1 3.921 0.04 . 1 . . . . . 9 LEU HA . 16620 1
64 . 1 1 27 27 LEU HB2 H 1 1.923 0.04 . 2 . . . . . 9 LEU HB2 . 16620 1
65 . 1 1 27 27 LEU HB3 H 1 1.650 0.04 . 2 . . . . . 9 LEU HB3 . 16620 1
66 . 1 1 27 27 LEU HD11 H 1 1.038 0.04 . 1 . . . . . 9 LEU HD1 . 16620 1
67 . 1 1 27 27 LEU HD12 H 1 1.038 0.04 . 1 . . . . . 9 LEU HD1 . 16620 1
68 . 1 1 27 27 LEU HD13 H 1 1.038 0.04 . 1 . . . . . 9 LEU HD1 . 16620 1
69 . 1 1 27 27 LEU HD21 H 1 0.923 0.04 . 1 . . . . . 9 LEU HD2 . 16620 1
70 . 1 1 27 27 LEU HD22 H 1 0.923 0.04 . 1 . . . . . 9 LEU HD2 . 16620 1
71 . 1 1 27 27 LEU HD23 H 1 0.923 0.04 . 1 . . . . . 9 LEU HD2 . 16620 1
72 . 1 1 27 27 LEU C C 13 178.585 0.4 . 1 . . . . . 9 LEU C . 16620 1
73 . 1 1 27 27 LEU CA C 13 58.002 0.40 . 1 . . . . . 9 LEU CA . 16620 1
74 . 1 1 27 27 LEU CB C 13 42.288 0.40 . 1 . . . . . 9 LEU CB . 16620 1
75 . 1 1 27 27 LEU CD1 C 13 25.348 0.40 . 1 . . . . . 9 LEU CD1 . 16620 1
76 . 1 1 27 27 LEU CD2 C 13 23.696 0.40 . 1 . . . . . 9 LEU CD2 . 16620 1
77 . 1 1 27 27 LEU N N 15 120.717 0.40 . 1 . . . . . 9 LEU N . 16620 1
78 . 1 1 28 28 ILE H H 1 8.559 0.04 . 1 . . . . . 10 ILE H . 16620 1
79 . 1 1 28 28 ILE HA H 1 3.656 0.04 . 1 . . . . . 10 ILE HA . 16620 1
80 . 1 1 28 28 ILE HB H 1 1.602 0.04 . 1 . . . . . 10 ILE HB . 16620 1
81 . 1 1 28 28 ILE HD11 H 1 0.410 0.04 . 1 . . . . . 10 ILE HD1 . 16620 1
82 . 1 1 28 28 ILE HD12 H 1 0.410 0.04 . 1 . . . . . 10 ILE HD1 . 16620 1
83 . 1 1 28 28 ILE HD13 H 1 0.410 0.04 . 1 . . . . . 10 ILE HD1 . 16620 1
84 . 1 1 28 28 ILE HG12 H 1 1.230 0.04 . 2 . . . . . 10 ILE HG12 . 16620 1
85 . 1 1 28 28 ILE HG13 H 1 0.576 0.04 . 2 . . . . . 10 ILE HG13 . 16620 1
86 . 1 1 28 28 ILE HG21 H 1 0.696 0.04 . 1 . . . . . 10 ILE HG2 . 16620 1
87 . 1 1 28 28 ILE HG22 H 1 0.696 0.04 . 1 . . . . . 10 ILE HG2 . 16620 1
88 . 1 1 28 28 ILE HG23 H 1 0.696 0.04 . 1 . . . . . 10 ILE HG2 . 16620 1
89 . 1 1 28 28 ILE C C 13 178.148 0.4 . 1 . . . . . 10 ILE C . 16620 1
90 . 1 1 28 28 ILE CA C 13 66.845 0.40 . 1 . . . . . 10 ILE CA . 16620 1
91 . 1 1 28 28 ILE CB C 13 37.913 0.40 . 1 . . . . . 10 ILE CB . 16620 1
92 . 1 1 28 28 ILE CD1 C 13 14.171 0.40 . 1 . . . . . 10 ILE CD1 . 16620 1
93 . 1 1 28 28 ILE CG1 C 13 30.718 0.40 . 1 . . . . . 10 ILE CG1 . 16620 1
94 . 1 1 28 28 ILE CG2 C 13 17.855 0.40 . 1 . . . . . 10 ILE CG2 . 16620 1
95 . 1 1 28 28 ILE N N 15 120.086 0.40 . 1 . . . . . 10 ILE N . 16620 1
96 . 1 1 29 29 GLU H H 1 7.849 0.04 . 1 . . . . . 11 GLU H . 16620 1
97 . 1 1 29 29 GLU HA H 1 4.013 0.04 . 1 . . . . . 11 GLU HA . 16620 1
98 . 1 1 29 29 GLU HB2 H 1 2.174 0.04 . 2 . . . . . 11 GLU HB2 . 16620 1
99 . 1 1 29 29 GLU HB3 H 1 2.038 0.04 . 2 . . . . . 11 GLU HB3 . 16620 1
100 . 1 1 29 29 GLU HG2 H 1 2.391 0.04 . 2 . . . . . 11 GLU HG2 . 16620 1
101 . 1 1 29 29 GLU HG3 H 1 2.391 0.04 . 2 . . . . . 11 GLU HG3 . 16620 1
102 . 1 1 29 29 GLU C C 13 179.376 0.4 . 1 . . . . . 11 GLU C . 16620 1
103 . 1 1 29 29 GLU CA C 13 59.584 0.40 . 1 . . . . . 11 GLU CA . 16620 1
104 . 1 1 29 29 GLU CB C 13 29.070 0.40 . 1 . . . . . 11 GLU CB . 16620 1
105 . 1 1 29 29 GLU CG C 13 36.968 0.40 . 1 . . . . . 11 GLU CG . 16620 1
106 . 1 1 29 29 GLU N N 15 118.346 0.40 . 1 . . . . . 11 GLU N . 16620 1
107 . 1 1 30 30 ARG H H 1 7.839 0.04 . 1 . . . . . 12 ARG H . 16620 1
108 . 1 1 30 30 ARG HA H 1 4.064 0.04 . 1 . . . . . 12 ARG HA . 16620 1
109 . 1 1 30 30 ARG HB2 H 1 1.909 0.04 . 2 . . . . . 12 ARG HB2 . 16620 1
110 . 1 1 30 30 ARG HB3 H 1 1.734 0.04 . 2 . . . . . 12 ARG HB3 . 16620 1
111 . 1 1 30 30 ARG HD2 H 1 3.073 0.04 . 2 . . . . . 12 ARG HD2 . 16620 1
112 . 1 1 30 30 ARG HD3 H 1 2.871 0.04 . 2 . . . . . 12 ARG HD3 . 16620 1
113 . 1 1 30 30 ARG HG2 H 1 1.654 0.04 . 2 . . . . . 12 ARG HG2 . 16620 1
114 . 1 1 30 30 ARG HG3 H 1 1.424 0.04 . 2 . . . . . 12 ARG HG3 . 16620 1
115 . 1 1 30 30 ARG C C 13 180.318 0.4 . 1 . . . . . 12 ARG C . 16620 1
116 . 1 1 30 30 ARG CA C 13 59.585 0.40 . 1 . . . . . 12 ARG CA . 16620 1
117 . 1 1 30 30 ARG CB C 13 29.234 0.40 . 1 . . . . . 12 ARG CB . 16620 1
118 . 1 1 30 30 ARG CD C 13 43.300 0.40 . 1 . . . . . 12 ARG CD . 16620 1
119 . 1 1 30 30 ARG CG C 13 26.814 0.40 . 1 . . . . . 12 ARG CG . 16620 1
120 . 1 1 30 30 ARG N N 15 120.904 0.40 . 1 . . . . . 12 ARG N . 16620 1
121 . 1 1 31 31 TYR H H 1 8.545 0.04 . 1 . . . . . 13 TYR H . 16620 1
122 . 1 1 31 31 TYR HA H 1 4.064 0.04 . 1 . . . . . 13 TYR HA . 16620 1
123 . 1 1 31 31 TYR HB2 H 1 3.225 0.04 . 2 . . . . . 13 TYR HB2 . 16620 1
124 . 1 1 31 31 TYR HB3 H 1 2.904 0.04 . 2 . . . . . 13 TYR HB3 . 16620 1
125 . 1 1 31 31 TYR HD1 H 1 7.025 0.04 . 3 . . . . . 13 TYR HD1 . 16620 1
126 . 1 1 31 31 TYR HD2 H 1 7.025 0.04 . 3 . . . . . 13 TYR HD2 . 16620 1
127 . 1 1 31 31 TYR HE1 H 1 6.496 0.04 . 3 . . . . . 13 TYR HE1 . 16620 1
128 . 1 1 31 31 TYR HE2 H 1 6.496 0.04 . 3 . . . . . 13 TYR HE2 . 16620 1
129 . 1 1 31 31 TYR C C 13 177.725 0.4 . 1 . . . . . 13 TYR C . 16620 1
130 . 1 1 31 31 TYR CA C 13 63.351 0.40 . 1 . . . . . 13 TYR CA . 16620 1
131 . 1 1 31 31 TYR CB C 13 38.623 0.40 . 1 . . . . . 13 TYR CB . 16620 1
132 . 1 1 31 31 TYR CD1 C 13 131.400 0.40 . 1 . . . . . 13 TYR CD1 . 16620 1
133 . 1 1 31 31 TYR CE1 C 13 116.910 0.40 . 1 . . . . . 13 TYR CE1 . 16620 1
134 . 1 1 31 31 TYR N N 15 120.393 0.40 . 1 . . . . . 13 TYR N . 16620 1
135 . 1 1 32 32 TYR H H 1 8.783 0.04 . 1 . . . . . 14 TYR H . 16620 1
136 . 1 1 32 32 TYR HA H 1 3.948 0.04 . 1 . . . . . 14 TYR HA . 16620 1
137 . 1 1 32 32 TYR HB2 H 1 3.170 0.04 . 2 . . . . . 14 TYR HB2 . 16620 1
138 . 1 1 32 32 TYR HB3 H 1 2.925 0.04 . 2 . . . . . 14 TYR HB3 . 16620 1
139 . 1 1 32 32 TYR HD1 H 1 6.804 0.04 . 3 . . . . . 14 TYR HD1 . 16620 1
140 . 1 1 32 32 TYR HD2 H 1 6.804 0.04 . 3 . . . . . 14 TYR HD2 . 16620 1
141 . 1 1 32 32 TYR HE1 H 1 6.922 0.04 . 3 . . . . . 14 TYR HE1 . 16620 1
142 . 1 1 32 32 TYR HE2 H 1 6.922 0.04 . 3 . . . . . 14 TYR HE2 . 16620 1
143 . 1 1 32 32 TYR C C 13 178.599 0.4 . 1 . . . . . 14 TYR C . 16620 1
144 . 1 1 32 32 TYR CA C 13 62.669 0.40 . 1 . . . . . 14 TYR CA . 16620 1
145 . 1 1 32 32 TYR CB C 13 38.350 0.40 . 1 . . . . . 14 TYR CB . 16620 1
146 . 1 1 32 32 TYR CD1 C 13 132.360 0.40 . 1 . . . . . 14 TYR CD1 . 16620 1
147 . 1 1 32 32 TYR CE1 C 13 118.830 0.40 . 1 . . . . . 14 TYR CE1 . 16620 1
148 . 1 1 32 32 TYR N N 15 120.342 0.40 . 1 . . . . . 14 TYR N . 16620 1
149 . 1 1 33 33 HIS H H 1 8.740 0.04 . 1 . . . . . 15 HIS H . 16620 1
150 . 1 1 33 33 HIS HA H 1 3.906 0.04 . 1 . . . . . 15 HIS HA . 16620 1
151 . 1 1 33 33 HIS HB2 H 1 3.239 0.04 . 2 . . . . . 15 HIS HB2 . 16620 1
152 . 1 1 33 33 HIS HB3 H 1 3.239 0.04 . 2 . . . . . 15 HIS HB3 . 16620 1
153 . 1 1 33 33 HIS C C 13 177.834 0.4 . 1 . . . . . 15 HIS C . 16620 1
154 . 1 1 33 33 HIS CA C 13 60.622 0.40 . 1 . . . . . 15 HIS CA . 16620 1
155 . 1 1 33 33 HIS CB C 13 30.599 0.40 . 1 . . . . . 15 HIS CB . 16620 1
156 . 1 1 33 33 HIS N N 15 121.297 0.40 . 1 . . . . . 15 HIS N . 16620 1
157 . 1 1 34 34 GLN H H 1 8.371 0.04 . 1 . . . . . 16 GLN H . 16620 1
158 . 1 1 34 34 GLN HA H 1 3.709 0.04 . 1 . . . . . 16 GLN HA . 16620 1
159 . 1 1 34 34 GLN HB2 H 1 2.236 0.04 . 2 . . . . . 16 GLN HB2 . 16620 1
160 . 1 1 34 34 GLN HB3 H 1 2.468 0.04 . 2 . . . . . 16 GLN HB3 . 16620 1
161 . 1 1 34 34 GLN HE21 H 1 7.283 0.04 . 1 . . . . . 16 GLN HE21 . 16620 1
162 . 1 1 34 34 GLN HE22 H 1 7.161 0.04 . 2 . . . . . 16 GLN HE22 . 16620 1
163 . 1 1 34 34 GLN HG2 H 1 2.870 0.04 . 2 . . . . . 16 GLN HG2 . 16620 1
164 . 1 1 34 34 GLN HG3 H 1 2.659 0.04 . 2 . . . . . 16 GLN HG3 . 16620 1
165 . 1 1 34 34 GLN C C 13 176.238 0.4 . 1 . . . . . 16 GLN C . 16620 1
166 . 1 1 34 34 GLN CA C 13 60.185 0.40 . 1 . . . . . 16 GLN CA . 16620 1
167 . 1 1 34 34 GLN CB C 13 30.653 0.40 . 1 . . . . . 16 GLN CB . 16620 1
168 . 1 1 34 34 GLN CG C 13 35.262 0.40 . 1 . . . . . 16 GLN CG . 16620 1
169 . 1 1 34 34 GLN N N 15 122.576 0.40 . 1 . . . . . 16 GLN N . 16620 1
170 . 1 1 34 34 GLN NE2 N 15 108.128 0.04 . 1 . . . . . 16 GLN NE2 . 16620 1
171 . 1 1 35 35 LEU H H 1 7.916 0.04 . 1 . . . . . 17 LEU H . 16620 1
172 . 1 1 35 35 LEU HA H 1 3.978 0.04 . 1 . . . . . 17 LEU HA . 16620 1
173 . 1 1 35 35 LEU HB2 H 1 1.911 0.04 . 2 . . . . . 17 LEU HB2 . 16620 1
174 . 1 1 35 35 LEU HB3 H 1 1.630 0.04 . 2 . . . . . 17 LEU HB3 . 16620 1
175 . 1 1 35 35 LEU HD11 H 1 0.917 0.04 . 1 . . . . . 17 LEU HD1 . 16620 1
176 . 1 1 35 35 LEU HD12 H 1 0.917 0.04 . 1 . . . . . 17 LEU HD1 . 16620 1
177 . 1 1 35 35 LEU HD13 H 1 0.917 0.04 . 1 . . . . . 17 LEU HD1 . 16620 1
178 . 1 1 35 35 LEU HD21 H 1 1.162 0.04 . 1 . . . . . 17 LEU HD2 . 16620 1
179 . 1 1 35 35 LEU HD22 H 1 1.162 0.04 . 1 . . . . . 17 LEU HD2 . 16620 1
180 . 1 1 35 35 LEU HD23 H 1 1.162 0.04 . 1 . . . . . 17 LEU HD2 . 16620 1
181 . 1 1 35 35 LEU HG H 1 2.021 0.04 . 1 . . . . . 17 LEU HG . 16620 1
182 . 1 1 35 35 LEU C C 13 175.624 0.4 . 1 . . . . . 17 LEU C . 16620 1
183 . 1 1 35 35 LEU CA C 13 56.377 0.40 . 1 . . . . . 17 LEU CA . 16620 1
184 . 1 1 35 35 LEU CB C 13 45.098 0.40 . 1 . . . . . 17 LEU CB . 16620 1
185 . 1 1 35 35 LEU CD1 C 13 27.367 0.40 . 1 . . . . . 17 LEU CD1 . 16620 1
186 . 1 1 35 35 LEU CD2 C 13 23.874 0.40 . 1 . . . . . 17 LEU CD2 . 16620 1
187 . 1 1 35 35 LEU CG C 13 27.087 0.40 . 1 . . . . . 17 LEU CG . 16620 1
188 . 1 1 35 35 LEU N N 15 116.299 0.40 . 1 . . . . . 17 LEU N . 16620 1
189 . 1 1 36 36 THR H H 1 7.148 0.04 . 1 . . . . . 18 THR H . 16620 1
190 . 1 1 36 36 THR HA H 1 4.215 0.04 . 1 . . . . . 18 THR HA . 16620 1
191 . 1 1 36 36 THR HB H 1 3.848 0.04 . 1 . . . . . 18 THR HB . 16620 1
192 . 1 1 36 36 THR HG21 H 1 0.581 0.04 . 1 . . . . . 18 THR HG2 . 16620 1
193 . 1 1 36 36 THR HG22 H 1 0.581 0.04 . 1 . . . . . 18 THR HG2 . 16620 1
194 . 1 1 36 36 THR HG23 H 1 0.581 0.04 . 1 . . . . . 18 THR HG2 . 16620 1
195 . 1 1 36 36 THR C C 13 174.709 0.4 . 1 . . . . . 18 THR C . 16620 1
196 . 1 1 36 36 THR CA C 13 61.522 0.40 . 1 . . . . . 18 THR CA . 16620 1
197 . 1 1 36 36 THR CB C 13 70.434 0.40 . 1 . . . . . 18 THR CB . 16620 1
198 . 1 1 36 36 THR CG2 C 13 21.445 0.40 . 1 . . . . . 18 THR CG2 . 16620 1
199 . 1 1 36 36 THR N N 15 105.023 0.40 . 1 . . . . . 18 THR N . 16620 1
200 . 1 1 37 37 GLU H H 1 8.234 0.04 . 1 . . . . . 19 GLU H . 16620 1
201 . 1 1 37 37 GLU HA H 1 4.187 0.04 . 1 . . . . . 19 GLU HA . 16620 1
202 . 1 1 37 37 GLU HB2 H 1 1.707 0.04 . 2 . . . . . 19 GLU HB2 . 16620 1
203 . 1 1 37 37 GLU HB3 H 1 1.185 0.04 . 2 . . . . . 19 GLU HB3 . 16620 1
204 . 1 1 37 37 GLU HG2 H 1 2.048 0.04 . 2 . . . . . 19 GLU HG2 . 16620 1
205 . 1 1 37 37 GLU HG3 H 1 2.048 0.04 . 2 . . . . . 19 GLU HG3 . 16620 1
206 . 1 1 37 37 GLU C C 13 177.657 0.4 . 1 . . . . . 19 GLU C . 16620 1
207 . 1 1 37 37 GLU CA C 13 56.855 0.40 . 1 . . . . . 19 GLU CA . 16620 1
208 . 1 1 37 37 GLU CB C 13 30.872 0.40 . 1 . . . . . 19 GLU CB . 16620 1
209 . 1 1 37 37 GLU CG C 13 36.176 0.40 . 1 . . . . . 19 GLU CG . 16620 1
210 . 1 1 37 37 GLU N N 15 122.559 0.40 . 1 . . . . . 19 GLU N . 16620 1
211 . 1 1 38 38 GLY H H 1 7.485 0.04 . 1 . . . . . 20 GLY H . 16620 1
212 . 1 1 38 38 GLY HA2 H 1 4.586 0.04 . 2 . . . . . 20 GLY HA2 . 16620 1
213 . 1 1 38 38 GLY HA3 H 1 4.358 0.04 . 2 . . . . . 20 GLY HA3 . 16620 1
214 . 1 1 38 38 GLY C C 13 172.976 0.4 . 1 . . . . . 20 GLY C . 16620 1
215 . 1 1 38 38 GLY CA C 13 44.177 0.40 . 1 . . . . . 20 GLY CA . 16620 1
216 . 1 1 38 38 GLY N N 15 107.019 0.40 . 1 . . . . . 20 GLY N . 16620 1
217 . 1 1 39 39 CYS H H 1 7.410 0.04 . 1 . . . . . 21 CYS H . 16620 1
218 . 1 1 39 39 CYS HA H 1 4.498 0.04 . 1 . . . . . 21 CYS HA . 16620 1
219 . 1 1 39 39 CYS HB2 H 1 3.160 0.04 . 2 . . . . . 21 CYS HB2 . 16620 1
220 . 1 1 39 39 CYS HB3 H 1 2.853 0.04 . 2 . . . . . 21 CYS HB3 . 16620 1
221 . 1 1 39 39 CYS C C 13 176.865 0.4 . 1 . . . . . 21 CYS C . 16620 1
222 . 1 1 39 39 CYS CA C 13 58.493 0.40 . 1 . . . . . 21 CYS CA . 16620 1
223 . 1 1 39 39 CYS CB C 13 31.636 0.40 . 1 . . . . . 21 CYS CB . 16620 1
224 . 1 1 39 39 CYS N N 15 118.260 0.40 . 1 . . . . . 21 CYS N . 16620 1
225 . 1 1 40 40 GLY H H 1 8.670 0.04 . 1 . . . . . 22 GLY H . 16620 1
226 . 1 1 40 40 GLY HA2 H 1 4.260 0.04 . 2 . . . . . 22 GLY HA2 . 16620 1
227 . 1 1 40 40 GLY HA3 H 1 3.505 0.04 . 2 . . . . . 22 GLY HA3 . 16620 1
228 . 1 1 40 40 GLY C C 13 173.618 0.4 . 1 . . . . . 22 GLY C . 16620 1
229 . 1 1 40 40 GLY CA C 13 45.188 0.40 . 1 . . . . . 22 GLY CA . 16620 1
230 . 1 1 40 40 GLY N N 15 112.324 0.40 . 1 . . . . . 22 GLY N . 16620 1
231 . 1 1 41 41 ASN H H 1 8.379 0.04 . 1 . . . . . 23 ASN H . 16620 1
232 . 1 1 41 41 ASN HA H 1 4.452 0.04 . 1 . . . . . 23 ASN HA . 16620 1
233 . 1 1 41 41 ASN HB2 H 1 2.990 0.04 . 2 . . . . . 23 ASN HB2 . 16620 1
234 . 1 1 41 41 ASN HB3 H 1 2.543 0.04 . 2 . . . . . 23 ASN HB3 . 16620 1
235 . 1 1 41 41 ASN HD21 H 1 7.870 0.04 . 1 . . . . . 23 ASN HD21 . 16620 1
236 . 1 1 41 41 ASN HD22 H 1 6.820 0.04 . 2 . . . . . 23 ASN HD22 . 16620 1
237 . 1 1 41 41 ASN C C 13 175.132 0.4 . 1 . . . . . 23 ASN C . 16620 1
238 . 1 1 41 41 ASN CA C 13 52.106 0.40 . 1 . . . . . 23 ASN CA . 16620 1
239 . 1 1 41 41 ASN CB C 13 38.678 0.40 . 1 . . . . . 23 ASN CB . 16620 1
240 . 1 1 41 41 ASN N N 15 122.184 0.40 . 1 . . . . . 23 ASN N . 16620 1
241 . 1 1 41 41 ASN ND2 N 15 112.222 0.04 . 1 . . . . . 23 ASN ND2 . 16620 1
242 . 1 1 42 42 GLU H H 1 8.769 0.04 . 1 . . . . . 24 GLU H . 16620 1
243 . 1 1 42 42 GLU HA H 1 4.167 0.04 . 1 . . . . . 24 GLU HA . 16620 1
244 . 1 1 42 42 GLU HB2 H 1 2.051 0.04 . 2 . . . . . 24 GLU HB2 . 16620 1
245 . 1 1 42 42 GLU HB3 H 1 1.952 0.04 . 2 . . . . . 24 GLU HB3 . 16620 1
246 . 1 1 42 42 GLU HG2 H 1 2.242 0.04 . 2 . . . . . 24 GLU HG2 . 16620 1
247 . 1 1 42 42 GLU HG3 H 1 2.242 0.04 . 2 . . . . . 24 GLU HG3 . 16620 1
248 . 1 1 42 42 GLU C C 13 175.801 0.4 . 1 . . . . . 24 GLU C . 16620 1
249 . 1 1 42 42 GLU CA C 13 57.947 0.40 . 1 . . . . . 24 GLU CA . 16620 1
250 . 1 1 42 42 GLU CB C 13 29.016 0.40 . 1 . . . . . 24 GLU CB . 16620 1
251 . 1 1 42 42 GLU CG C 13 36.258 0.40 . 1 . . . . . 24 GLU CG . 16620 1
252 . 1 1 42 42 GLU N N 15 124.589 0.40 . 1 . . . . . 24 GLU N . 16620 1
253 . 1 1 43 43 ALA H H 1 7.839 0.04 . 1 . . . . . 25 ALA H . 16620 1
254 . 1 1 43 43 ALA HA H 1 4.381 0.04 . 1 . . . . . 25 ALA HA . 16620 1
255 . 1 1 43 43 ALA HB1 H 1 1.248 0.04 . 1 . . . . . 25 ALA HB . 16620 1
256 . 1 1 43 43 ALA HB2 H 1 1.248 0.04 . 1 . . . . . 25 ALA HB . 16620 1
257 . 1 1 43 43 ALA HB3 H 1 1.248 0.04 . 1 . . . . . 25 ALA HB . 16620 1
258 . 1 1 43 43 ALA C C 13 175.842 0.4 . 1 . . . . . 25 ALA C . 16620 1
259 . 1 1 43 43 ALA CA C 13 50.319 0.40 . 1 . . . . . 25 ALA CA . 16620 1
260 . 1 1 43 43 ALA CB C 13 18.563 0.40 . 1 . . . . . 25 ALA CB . 16620 1
261 . 1 1 43 43 ALA N N 15 121.706 0.40 . 1 . . . . . 25 ALA N . 16620 1
262 . 1 1 44 44 CYS H H 1 7.350 0.04 . 1 . . . . . 26 CYS H . 16620 1
263 . 1 1 44 44 CYS HA H 1 3.757 0.04 . 1 . . . . . 26 CYS HA . 16620 1
264 . 1 1 44 44 CYS HB2 H 1 3.010 0.04 . 2 . . . . . 26 CYS HB2 . 16620 1
265 . 1 1 44 44 CYS HB3 H 1 2.236 0.04 . 2 . . . . . 26 CYS HB3 . 16620 1
266 . 1 1 44 44 CYS C C 13 176.019 0.4 . 1 . . . . . 26 CYS C . 16620 1
267 . 1 1 44 44 CYS CA C 13 62.696 0.40 . 1 . . . . . 26 CYS CA . 16620 1
268 . 1 1 44 44 CYS CB C 13 29.671 0.40 . 1 . . . . . 26 CYS CB . 16620 1
269 . 1 1 44 44 CYS N N 15 124.265 0.40 . 1 . . . . . 26 CYS N . 16620 1
270 . 1 1 45 45 THR H H 1 7.872 0.04 . 1 . . . . . 27 THR H . 16620 1
271 . 1 1 45 45 THR HA H 1 4.511 0.04 . 1 . . . . . 27 THR HA . 16620 1
272 . 1 1 45 45 THR HB H 1 4.524 0.04 . 1 . . . . . 27 THR HB . 16620 1
273 . 1 1 45 45 THR HG21 H 1 1.189 0.04 . 1 . . . . . 27 THR HG2 . 16620 1
274 . 1 1 45 45 THR HG22 H 1 1.189 0.04 . 1 . . . . . 27 THR HG2 . 16620 1
275 . 1 1 45 45 THR HG23 H 1 1.189 0.04 . 1 . . . . . 27 THR HG2 . 16620 1
276 . 1 1 45 45 THR C C 13 174.969 0.4 . 1 . . . . . 27 THR C . 16620 1
277 . 1 1 45 45 THR CA C 13 61.113 0.40 . 1 . . . . . 27 THR CA . 16620 1
278 . 1 1 45 45 THR CB C 13 69.834 0.40 . 1 . . . . . 27 THR CB . 16620 1
279 . 1 1 45 45 THR CG2 C 13 21.567 0.40 . 1 . . . . . 27 THR CG2 . 16620 1
280 . 1 1 45 45 THR N N 15 115.292 0.40 . 1 . . . . . 27 THR N . 16620 1
281 . 1 1 46 46 ASN H H 1 9.336 0.04 . 1 . . . . . 28 ASN H . 16620 1
282 . 1 1 46 46 ASN HA H 1 4.430 0.04 . 1 . . . . . 28 ASN HA . 16620 1
283 . 1 1 46 46 ASN HB2 H 1 3.269 0.04 . 2 . . . . . 28 ASN HB2 . 16620 1
284 . 1 1 46 46 ASN HB3 H 1 2.601 0.04 . 2 . . . . . 28 ASN HB3 . 16620 1
285 . 1 1 46 46 ASN HD21 H 1 8.409 0.04 . 1 . . . . . 28 ASN HD21 . 16620 1
286 . 1 1 46 46 ASN HD22 H 1 6.484 0.04 . 2 . . . . . 28 ASN HD22 . 16620 1
287 . 1 1 46 46 ASN C C 13 174.273 0.4 . 1 . . . . . 28 ASN C . 16620 1
288 . 1 1 46 46 ASN CA C 13 53.144 0.40 . 1 . . . . . 28 ASN CA . 16620 1
289 . 1 1 46 46 ASN CB C 13 38.500 0.40 . 1 . . . . . 28 ASN CB . 16620 1
290 . 1 1 46 46 ASN N N 15 127.779 0.40 . 1 . . . . . 28 ASN N . 16620 1
291 . 1 1 46 46 ASN ND2 N 15 114.337 0.04 . 1 . . . . . 28 ASN ND2 . 16620 1
292 . 1 1 47 47 GLU H H 1 8.499 0.04 . 1 . . . . . 29 GLU H . 16620 1
293 . 1 1 47 47 GLU HA H 1 4.006 0.04 . 1 . . . . . 29 GLU HA . 16620 1
294 . 1 1 47 47 GLU HB2 H 1 1.744 0.04 . 2 . . . . . 29 GLU HB2 . 16620 1
295 . 1 1 47 47 GLU HB3 H 1 1.639 0.04 . 2 . . . . . 29 GLU HB3 . 16620 1
296 . 1 1 47 47 GLU HG2 H 1 1.519 0.04 . 2 . . . . . 29 GLU HG2 . 16620 1
297 . 1 1 47 47 GLU HG3 H 1 1.233 0.04 . 2 . . . . . 29 GLU HG3 . 16620 1
298 . 1 1 47 47 GLU C C 13 175.815 0.4 . 1 . . . . . 29 GLU C . 16620 1
299 . 1 1 47 47 GLU CA C 13 58.111 0.40 . 1 . . . . . 29 GLU CA . 16620 1
300 . 1 1 47 47 GLU CB C 13 29.070 0.40 . 1 . . . . . 29 GLU CB . 16620 1
301 . 1 1 47 47 GLU CG C 13 35.262 0.40 . 1 . . . . . 29 GLU CG . 16620 1
302 . 1 1 47 47 GLU N N 15 123.804 0.40 . 1 . . . . . 29 GLU N . 16620 1
303 . 1 1 48 48 PHE H H 1 7.423 0.04 . 1 . . . . . 30 PHE H . 16620 1
304 . 1 1 48 48 PHE HA H 1 4.860 0.04 . 1 . . . . . 30 PHE HA . 16620 1
305 . 1 1 48 48 PHE HB2 H 1 3.614 0.04 . 2 . . . . . 30 PHE HB2 . 16620 1
306 . 1 1 48 48 PHE HB3 H 1 2.621 0.04 . 2 . . . . . 30 PHE HB3 . 16620 1
307 . 1 1 48 48 PHE HD1 H 1 7.260 0.04 . 3 . . . . . 30 PHE HD1 . 16620 1
308 . 1 1 48 48 PHE HD2 H 1 7.260 0.04 . 3 . . . . . 30 PHE HD2 . 16620 1
309 . 1 1 48 48 PHE HE1 H 1 7.164 0.04 . 3 . . . . . 30 PHE HE1 . 16620 1
310 . 1 1 48 48 PHE HE2 H 1 7.164 0.04 . 3 . . . . . 30 PHE HE2 . 16620 1
311 . 1 1 48 48 PHE C C 13 171.980 0.4 . 1 . . . . . 30 PHE C . 16620 1
312 . 1 1 48 48 PHE CA C 13 56.336 0.40 . 1 . . . . . 30 PHE CA . 16620 1
313 . 1 1 48 48 PHE CB C 13 38.132 0.40 . 1 . . . . . 30 PHE CB . 16620 1
314 . 1 1 48 48 PHE CD1 C 13 131.699 0.40 . 1 . . . . . 30 PHE CD1 . 16620 1
315 . 1 1 48 48 PHE CE1 C 13 129.920 0.40 . 1 . . . . . 30 PHE CE1 . 16620 1
316 . 1 1 48 48 PHE N N 15 117.186 0.40 . 1 . . . . . 30 PHE N . 16620 1
317 . 1 1 49 49 CYS H H 1 7.420 0.04 . 1 . . . . . 31 CYS H . 16620 1
318 . 1 1 49 49 CYS HA H 1 4.264 0.04 . 1 . . . . . 31 CYS HA . 16620 1
319 . 1 1 49 49 CYS HB2 H 1 3.297 0.04 . 2 . . . . . 31 CYS HB2 . 16620 1
320 . 1 1 49 49 CYS HB3 H 1 2.386 0.04 . 2 . . . . . 31 CYS HB3 . 16620 1
321 . 1 1 49 49 CYS C C 13 174.436 0.4 . 1 . . . . . 31 CYS C . 16620 1
322 . 1 1 49 49 CYS CA C 13 57.047 0.40 . 1 . . . . . 31 CYS CA . 16620 1
323 . 1 1 49 49 CYS CB C 13 33.492 0.40 . 1 . . . . . 31 CYS CB . 16620 1
324 . 1 1 49 49 CYS N N 15 121.843 0.40 . 1 . . . . . 31 CYS N . 16620 1
325 . 1 1 50 50 ALA H H 1 7.949 0.04 . 1 . . . . . 32 ALA H . 16620 1
326 . 1 1 50 50 ALA HA H 1 2.992 0.04 . 1 . . . . . 32 ALA HA . 16620 1
327 . 1 1 50 50 ALA HB1 H 1 0.617 0.04 . 1 . . . . . 32 ALA HB . 16620 1
328 . 1 1 50 50 ALA HB2 H 1 0.617 0.04 . 1 . . . . . 32 ALA HB . 16620 1
329 . 1 1 50 50 ALA HB3 H 1 0.617 0.04 . 1 . . . . . 32 ALA HB . 16620 1
330 . 1 1 50 50 ALA C C 13 178.762 0.4 . 1 . . . . . 32 ALA C . 16620 1
331 . 1 1 50 50 ALA CA C 13 53.007 0.40 . 1 . . . . . 32 ALA CA . 16620 1
332 . 1 1 50 50 ALA CB C 13 17.007 0.40 . 1 . . . . . 32 ALA CB . 16620 1
333 . 1 1 50 50 ALA N N 15 128.103 0.40 . 1 . . . . . 32 ALA N . 16620 1
334 . 1 1 51 51 SER H H 1 9.507 0.04 . 1 . . . . . 33 SER H . 16620 1
335 . 1 1 51 51 SER HA H 1 4.299 0.04 . 1 . . . . . 33 SER HA . 16620 1
336 . 1 1 51 51 SER HB2 H 1 3.998 0.04 . 2 . . . . . 33 SER HB2 . 16620 1
337 . 1 1 51 51 SER HB3 H 1 3.998 0.04 . 2 . . . . . 33 SER HB3 . 16620 1
338 . 1 1 51 51 SER C C 13 173.399 0.4 . 1 . . . . . 33 SER C . 16620 1
339 . 1 1 51 51 SER CA C 13 60.840 0.40 . 1 . . . . . 33 SER CA . 16620 1
340 . 1 1 51 51 SER CB C 13 63.679 0.40 . 1 . . . . . 33 SER CB . 16620 1
341 . 1 1 51 51 SER N N 15 119.062 0.40 . 1 . . . . . 33 SER N . 16620 1
342 . 1 1 52 52 CYS H H 1 7.978 0.04 . 1 . . . . . 34 CYS H . 16620 1
343 . 1 1 52 52 CYS HA H 1 4.652 0.04 . 1 . . . . . 34 CYS HA . 16620 1
344 . 1 1 52 52 CYS HB2 H 1 2.962 0.04 . 2 . . . . . 34 CYS HB2 . 16620 1
345 . 1 1 52 52 CYS HB3 H 1 2.962 0.04 . 2 . . . . . 34 CYS HB3 . 16620 1
346 . 1 1 52 52 CYS CA C 13 55.835 0.40 . 1 . . . . . 34 CYS CA . 16620 1
347 . 1 1 52 52 CYS CB C 13 27.879 0.40 . 1 . . . . . 34 CYS CB . 16620 1
348 . 1 1 52 52 CYS N N 15 124.589 0.40 . 1 . . . . . 34 CYS N . 16620 1
349 . 1 1 53 53 PRO HA H 1 4.393 0.04 . 1 . . . . . 35 PRO HA . 16620 1
350 . 1 1 53 53 PRO HB2 H 1 2.437 0.04 . 2 . . . . . 35 PRO HB2 . 16620 1
351 . 1 1 53 53 PRO HB3 H 1 1.959 0.04 . 2 . . . . . 35 PRO HB3 . 16620 1
352 . 1 1 53 53 PRO HD2 H 1 4.043 0.04 . 2 . . . . . 35 PRO HD2 . 16620 1
353 . 1 1 53 53 PRO HD3 H 1 4.043 0.04 . 2 . . . . . 35 PRO HD3 . 16620 1
354 . 1 1 53 53 PRO HG2 H 1 2.089 0.04 . 2 . . . . . 35 PRO HG2 . 16620 1
355 . 1 1 53 53 PRO HG3 H 1 2.008 0.04 . 2 . . . . . 35 PRO HG3 . 16620 1
356 . 1 1 53 53 PRO C C 13 177.889 0.4 . 1 . . . . . 35 PRO C . 16620 1
357 . 1 1 53 53 PRO CA C 13 65.180 0.40 . 1 . . . . . 35 PRO CA . 16620 1
358 . 1 1 53 53 PRO CB C 13 32.850 0.40 . 1 . . . . . 35 PRO CB . 16620 1
359 . 1 1 53 53 PRO CD C 13 51.972 0.40 . 1 . . . . . 35 PRO CD . 16620 1
360 . 1 1 53 53 PRO CG C 13 27.647 0.40 . 1 . . . . . 35 PRO CG . 16620 1
361 . 1 1 54 54 THR H H 1 7.507 0.04 . 1 . . . . . 36 THR H . 16620 1
362 . 1 1 54 54 THR HA H 1 4.314 0.04 . 1 . . . . . 36 THR HA . 16620 1
363 . 1 1 54 54 THR HB H 1 4.454 0.04 . 1 . . . . . 36 THR HB . 16620 1
364 . 1 1 54 54 THR HG21 H 1 1.060 0.04 . 1 . . . . . 36 THR HG2 . 16620 1
365 . 1 1 54 54 THR HG22 H 1 1.060 0.04 . 1 . . . . . 36 THR HG2 . 16620 1
366 . 1 1 54 54 THR HG23 H 1 1.060 0.04 . 1 . . . . . 36 THR HG2 . 16620 1
367 . 1 1 54 54 THR C C 13 174.177 0.4 . 1 . . . . . 36 THR C . 16620 1
368 . 1 1 54 54 THR CA C 13 61.195 0.40 . 1 . . . . . 36 THR CA . 16620 1
369 . 1 1 54 54 THR CB C 13 68.101 0.40 . 1 . . . . . 36 THR CB . 16620 1
370 . 1 1 54 54 THR CG2 C 13 21.854 0.40 . 1 . . . . . 36 THR CG2 . 16620 1
371 . 1 1 54 54 THR N N 15 107.002 0.40 . 1 . . . . . 36 THR N . 16620 1
372 . 1 1 55 55 PHE H H 1 7.716 0.04 . 1 . . . . . 37 PHE H . 16620 1
373 . 1 1 55 55 PHE HA H 1 4.204 0.04 . 1 . . . . . 37 PHE HA . 16620 1
374 . 1 1 55 55 PHE HB2 H 1 3.090 0.04 . 2 . . . . . 37 PHE HB2 . 16620 1
375 . 1 1 55 55 PHE HB3 H 1 2.836 0.04 . 2 . . . . . 37 PHE HB3 . 16620 1
376 . 1 1 55 55 PHE HD1 H 1 7.015 0.04 . 3 . . . . . 37 PHE HD1 . 16620 1
377 . 1 1 55 55 PHE HD2 H 1 7.015 0.04 . 3 . . . . . 37 PHE HD2 . 16620 1
378 . 1 1 55 55 PHE HE1 H 1 7.216 0.04 . 3 . . . . . 37 PHE HE1 . 16620 1
379 . 1 1 55 55 PHE HE2 H 1 7.216 0.04 . 3 . . . . . 37 PHE HE2 . 16620 1
380 . 1 1 55 55 PHE C C 13 175.228 0.4 . 1 . . . . . 37 PHE C . 16620 1
381 . 1 1 55 55 PHE CA C 13 58.875 0.40 . 1 . . . . . 37 PHE CA . 16620 1
382 . 1 1 55 55 PHE CB C 13 40.942 0.40 . 1 . . . . . 37 PHE CB . 16620 1
383 . 1 1 55 55 PHE CD1 C 13 132.526 0.40 . 1 . . . . . 37 PHE CD1 . 16620 1
384 . 1 1 55 55 PHE CE1 C 13 130.334 0.40 . 1 . . . . . 37 PHE CE1 . 16620 1
385 . 1 1 55 55 PHE N N 15 124.794 0.40 . 1 . . . . . 37 PHE N . 16620 1
386 . 1 1 56 56 LEU H H 1 7.490 0.04 . 1 . . . . . 38 LEU H . 16620 1
387 . 1 1 56 56 LEU HA H 1 4.310 0.04 . 1 . . . . . 38 LEU HA . 16620 1
388 . 1 1 56 56 LEU HB2 H 1 1.310 0.04 . 2 . . . . . 38 LEU HB2 . 16620 1
389 . 1 1 56 56 LEU HB3 H 1 1.247 0.04 . 2 . . . . . 38 LEU HB3 . 16620 1
390 . 1 1 56 56 LEU HD11 H 1 0.801 0.04 . 1 . . . . . 38 LEU HD1 . 16620 1
391 . 1 1 56 56 LEU HD12 H 1 0.801 0.04 . 1 . . . . . 38 LEU HD1 . 16620 1
392 . 1 1 56 56 LEU HD13 H 1 0.801 0.04 . 1 . . . . . 38 LEU HD1 . 16620 1
393 . 1 1 56 56 LEU HD21 H 1 0.734 0.04 . 1 . . . . . 38 LEU HD2 . 16620 1
394 . 1 1 56 56 LEU HD22 H 1 0.734 0.04 . 1 . . . . . 38 LEU HD2 . 16620 1
395 . 1 1 56 56 LEU HD23 H 1 0.734 0.04 . 1 . . . . . 38 LEU HD2 . 16620 1
396 . 1 1 56 56 LEU HG H 1 1.445 0.04 . 1 . . . . . 38 LEU HG . 16620 1
397 . 1 1 56 56 LEU C C 13 174.300 0.4 . 1 . . . . . 38 LEU C . 16620 1
398 . 1 1 56 56 LEU CA C 13 53.416 0.40 . 1 . . . . . 38 LEU CA . 16620 1
399 . 1 1 56 56 LEU CB C 13 41.386 0.40 . 1 . . . . . 38 LEU CB . 16620 1
400 . 1 1 56 56 LEU CD1 C 13 24.747 0.40 . 1 . . . . . 38 LEU CD1 . 16620 1
401 . 1 1 56 56 LEU CD2 C 13 23.942 0.40 . 1 . . . . . 38 LEU CD2 . 16620 1
402 . 1 1 56 56 LEU CG C 13 26.678 0.40 . 1 . . . . . 38 LEU CG . 16620 1
403 . 1 1 56 56 LEU N N 15 130.713 0.40 . 1 . . . . . 38 LEU N . 16620 1
404 . 1 1 57 57 ARG H H 1 7.930 0.04 . 1 . . . . . 39 ARG H . 16620 1
405 . 1 1 57 57 ARG HA H 1 3.994 0.04 . 1 . . . . . 39 ARG HA . 16620 1
406 . 1 1 57 57 ARG HB2 H 1 1.753 0.04 . 2 . . . . . 39 ARG HB2 . 16620 1
407 . 1 1 57 57 ARG HB3 H 1 1.753 0.04 . 2 . . . . . 39 ARG HB3 . 16620 1
408 . 1 1 57 57 ARG HD2 H 1 3.223 0.04 . 2 . . . . . 39 ARG HD2 . 16620 1
409 . 1 1 57 57 ARG HD3 H 1 3.223 0.04 . 2 . . . . . 39 ARG HD3 . 16620 1
410 . 1 1 57 57 ARG HG2 H 1 1.801 0.04 . 2 . . . . . 39 ARG HG2 . 16620 1
411 . 1 1 57 57 ARG HG3 H 1 1.801 0.04 . 2 . . . . . 39 ARG HG3 . 16620 1
412 . 1 1 57 57 ARG CA C 13 57.374 0.40 . 1 . . . . . 39 ARG CA . 16620 1
413 . 1 1 57 57 ARG CB C 13 30.517 0.40 . 1 . . . . . 39 ARG CB . 16620 1
414 . 1 1 57 57 ARG CD C 13 43.273 0.40 . 1 . . . . . 39 ARG CD . 16620 1
415 . 1 1 57 57 ARG CG C 13 27.333 0.40 . 1 . . . . . 39 ARG CG . 16620 1
416 . 1 1 57 57 ARG N N 15 122.866 0.40 . 1 . . . . . 39 ARG N . 16620 1
417 . 1 1 58 58 MET H H 1 8.408 0.04 . 1 . . . . . 40 MET H . 16620 1
418 . 1 1 58 58 MET HA H 1 4.706 0.04 . 1 . . . . . 40 MET HA . 16620 1
419 . 1 1 58 58 MET HB2 H 1 2.075 0.04 . 2 . . . . . 40 MET HB2 . 16620 1
420 . 1 1 58 58 MET HB3 H 1 1.956 0.04 . 2 . . . . . 40 MET HB3 . 16620 1
421 . 1 1 58 58 MET HG2 H 1 2.611 0.04 . 2 . . . . . 40 MET HG2 . 16620 1
422 . 1 1 58 58 MET HG3 H 1 2.491 0.04 . 2 . . . . . 40 MET HG3 . 16620 1
423 . 1 1 58 58 MET C C 13 175.160 0.4 . 1 . . . . . 40 MET C . 16620 1
424 . 1 1 58 58 MET CA C 13 53.908 0.40 . 1 . . . . . 40 MET CA . 16620 1
425 . 1 1 58 58 MET CB C 13 36.603 0.40 . 1 . . . . . 40 MET CB . 16620 1
426 . 1 1 58 58 MET CG C 13 31.509 0.40 . 1 . . . . . 40 MET CG . 16620 1
427 . 1 1 58 58 MET N N 15 121.024 0.40 . 1 . . . . . 40 MET N . 16620 1
428 . 1 1 59 59 ASP H H 1 8.419 0.04 . 1 . . . . . 41 ASP H . 16620 1
429 . 1 1 59 59 ASP HA H 1 4.588 0.04 . 1 . . . . . 41 ASP HA . 16620 1
430 . 1 1 59 59 ASP HB2 H 1 3.030 0.04 . 2 . . . . . 41 ASP HB2 . 16620 1
431 . 1 1 59 59 ASP HB3 H 1 2.680 0.04 . 2 . . . . . 41 ASP HB3 . 16620 1
432 . 1 1 59 59 ASP CA C 13 53.699 0.40 . 1 . . . . . 41 ASP CA . 16620 1
433 . 1 1 59 59 ASP CB C 13 41.540 0.40 . 1 . . . . . 41 ASP CB . 16620 1
434 . 1 1 59 59 ASP N N 15 120.478 0.40 . 1 . . . . . 41 ASP N . 16620 1
435 . 1 1 60 60 ASN HA H 1 4.317 0.04 . 1 . . . . . 42 ASN HA . 16620 1
436 . 1 1 60 60 ASN HB2 H 1 3.106 0.04 . 2 . . . . . 42 ASN HB2 . 16620 1
437 . 1 1 60 60 ASN HB3 H 1 2.822 0.04 . 2 . . . . . 42 ASN HB3 . 16620 1
438 . 1 1 60 60 ASN HD21 H 1 7.490 0.04 . 1 . . . . . 42 ASN HD21 . 16620 1
439 . 1 1 60 60 ASN HD22 H 1 6.834 0.04 . 2 . . . . . 42 ASN HD22 . 16620 1
440 . 1 1 60 60 ASN C C 13 177.739 0.4 . 1 . . . . . 42 ASN C . 16620 1
441 . 1 1 60 60 ASN CA C 13 56.637 0.40 . 1 . . . . . 42 ASN CA . 16620 1
442 . 1 1 60 60 ASN CB C 13 37.586 0.40 . 1 . . . . . 42 ASN CB . 16620 1
443 . 1 1 60 60 ASN ND2 N 15 110.172 0.04 . 1 . . . . . 42 ASN ND2 . 16620 1
444 . 1 1 61 61 ASN H H 1 8.442 0.04 . 1 . . . . . 43 ASN H . 16620 1
445 . 1 1 61 61 ASN HA H 1 4.450 0.04 . 1 . . . . . 43 ASN HA . 16620 1
446 . 1 1 61 61 ASN HB2 H 1 2.853 0.04 . 2 . . . . . 43 ASN HB2 . 16620 1
447 . 1 1 61 61 ASN HB3 H 1 2.778 0.04 . 2 . . . . . 43 ASN HB3 . 16620 1
448 . 1 1 61 61 ASN C C 13 177.439 0.4 . 1 . . . . . 43 ASN C . 16620 1
449 . 1 1 61 61 ASN CA C 13 56.528 0.40 . 1 . . . . . 43 ASN CA . 16620 1
450 . 1 1 61 61 ASN CB C 13 38.023 0.40 . 1 . . . . . 43 ASN CB . 16620 1
451 . 1 1 61 61 ASN N N 15 118.960 0.40 . 1 . . . . . 43 ASN N . 16620 1
452 . 1 1 62 62 ALA H H 1 8.229 0.04 . 1 . . . . . 44 ALA H . 16620 1
453 . 1 1 62 62 ALA HA H 1 4.102 0.04 . 1 . . . . . 44 ALA HA . 16620 1
454 . 1 1 62 62 ALA HB1 H 1 1.491 0.04 . 1 . . . . . 44 ALA HB . 16620 1
455 . 1 1 62 62 ALA HB2 H 1 1.491 0.04 . 1 . . . . . 44 ALA HB . 16620 1
456 . 1 1 62 62 ALA HB3 H 1 1.491 0.04 . 1 . . . . . 44 ALA HB . 16620 1
457 . 1 1 62 62 ALA C C 13 180.973 0.4 . 1 . . . . . 44 ALA C . 16620 1
458 . 1 1 62 62 ALA CA C 13 54.672 0.40 . 1 . . . . . 44 ALA CA . 16620 1
459 . 1 1 62 62 ALA CB C 13 18.466 0.40 . 1 . . . . . 44 ALA CB . 16620 1
460 . 1 1 62 62 ALA N N 15 123.651 0.40 . 1 . . . . . 44 ALA N . 16620 1
461 . 1 1 63 63 ALA H H 1 8.779 0.04 . 1 . . . . . 45 ALA H . 16620 1
462 . 1 1 63 63 ALA HA H 1 4.238 0.04 . 1 . . . . . 45 ALA HA . 16620 1
463 . 1 1 63 63 ALA HB1 H 1 1.334 0.04 . 1 . . . . . 45 ALA HB . 16620 1
464 . 1 1 63 63 ALA HB2 H 1 1.334 0.04 . 1 . . . . . 45 ALA HB . 16620 1
465 . 1 1 63 63 ALA HB3 H 1 1.334 0.04 . 1 . . . . . 45 ALA HB . 16620 1
466 . 1 1 63 63 ALA C C 13 178.680 0.4 . 1 . . . . . 45 ALA C . 16620 1
467 . 1 1 63 63 ALA CA C 13 54.945 0.40 . 1 . . . . . 45 ALA CA . 16620 1
468 . 1 1 63 63 ALA CB C 13 18.685 0.40 . 1 . . . . . 45 ALA CB . 16620 1
469 . 1 1 63 63 ALA N N 15 121.928 0.40 . 1 . . . . . 45 ALA N . 16620 1
470 . 1 1 64 64 ALA H H 1 8.024 0.04 . 1 . . . . . 46 ALA H . 16620 1
471 . 1 1 64 64 ALA HA H 1 4.109 0.04 . 1 . . . . . 46 ALA HA . 16620 1
472 . 1 1 64 64 ALA HB1 H 1 1.426 0.04 . 1 . . . . . 46 ALA HB . 16620 1
473 . 1 1 64 64 ALA HB2 H 1 1.426 0.04 . 1 . . . . . 46 ALA HB . 16620 1
474 . 1 1 64 64 ALA HB3 H 1 1.426 0.04 . 1 . . . . . 46 ALA HB . 16620 1
475 . 1 1 64 64 ALA C C 13 179.731 0.4 . 1 . . . . . 46 ALA C . 16620 1
476 . 1 1 64 64 ALA CA C 13 55.873 0.40 . 1 . . . . . 46 ALA CA . 16620 1
477 . 1 1 64 64 ALA CB C 13 17.853 0.40 . 1 . . . . . 46 ALA CB . 16620 1
478 . 1 1 64 64 ALA N N 15 121.126 0.40 . 1 . . . . . 46 ALA N . 16620 1
479 . 1 1 65 65 ILE H H 1 7.220 0.04 . 1 . . . . . 47 ILE H . 16620 1
480 . 1 1 65 65 ILE HA H 1 3.740 0.04 . 1 . . . . . 47 ILE HA . 16620 1
481 . 1 1 65 65 ILE HB H 1 1.861 0.04 . 1 . . . . . 47 ILE HB . 16620 1
482 . 1 1 65 65 ILE HD11 H 1 0.795 0.04 . 1 . . . . . 47 ILE HD1 . 16620 1
483 . 1 1 65 65 ILE HD12 H 1 0.795 0.04 . 1 . . . . . 47 ILE HD1 . 16620 1
484 . 1 1 65 65 ILE HD13 H 1 0.795 0.04 . 1 . . . . . 47 ILE HD1 . 16620 1
485 . 1 1 65 65 ILE HG12 H 1 1.639 0.04 . 2 . . . . . 47 ILE HG12 . 16620 1
486 . 1 1 65 65 ILE HG13 H 1 1.151 0.04 . 2 . . . . . 47 ILE HG13 . 16620 1
487 . 1 1 65 65 ILE HG21 H 1 0.891 0.04 . 1 . . . . . 47 ILE HG2 . 16620 1
488 . 1 1 65 65 ILE HG22 H 1 0.891 0.04 . 1 . . . . . 47 ILE HG2 . 16620 1
489 . 1 1 65 65 ILE HG23 H 1 0.891 0.04 . 1 . . . . . 47 ILE HG2 . 16620 1
490 . 1 1 65 65 ILE C C 13 179.049 0.4 . 1 . . . . . 47 ILE C . 16620 1
491 . 1 1 65 65 ILE CA C 13 64.061 0.40 . 1 . . . . . 47 ILE CA . 16620 1
492 . 1 1 65 65 ILE CB C 13 38.528 0.40 . 1 . . . . . 47 ILE CB . 16620 1
493 . 1 1 65 65 ILE CD1 C 13 12.833 0.40 . 1 . . . . . 47 ILE CD1 . 16620 1
494 . 1 1 65 65 ILE CG1 C 13 28.821 0.40 . 1 . . . . . 47 ILE CG1 . 16620 1
495 . 1 1 65 65 ILE CG2 C 13 17.419 0.40 . 1 . . . . . 47 ILE CG2 . 16620 1
496 . 1 1 65 65 ILE N N 15 117.953 0.40 . 1 . . . . . 47 ILE N . 16620 1
497 . 1 1 66 66 LYS H H 1 8.363 0.04 . 1 . . . . . 48 LYS H . 16620 1
498 . 1 1 66 66 LYS HA H 1 4.062 0.04 . 1 . . . . . 48 LYS HA . 16620 1
499 . 1 1 66 66 LYS HB2 H 1 2.034 0.04 . 2 . . . . . 48 LYS HB2 . 16620 1
500 . 1 1 66 66 LYS HB3 H 1 1.813 0.04 . 2 . . . . . 48 LYS HB3 . 16620 1
501 . 1 1 66 66 LYS HD2 H 1 1.681 0.04 . 2 . . . . . 48 LYS HD2 . 16620 1
502 . 1 1 66 66 LYS HD3 H 1 1.638 0.04 . 2 . . . . . 48 LYS HD3 . 16620 1
503 . 1 1 66 66 LYS HE2 H 1 2.851 0.04 . 2 . . . . . 48 LYS HE2 . 16620 1
504 . 1 1 66 66 LYS HE3 H 1 2.603 0.04 . 2 . . . . . 48 LYS HE3 . 16620 1
505 . 1 1 66 66 LYS HG2 H 1 1.380 0.04 . 2 . . . . . 48 LYS HG2 . 16620 1
506 . 1 1 66 66 LYS HG3 H 1 1.380 0.04 . 2 . . . . . 48 LYS HG3 . 16620 1
507 . 1 1 66 66 LYS C C 13 177.739 0.4 . 1 . . . . . 48 LYS C . 16620 1
508 . 1 1 66 66 LYS CA C 13 57.074 0.40 . 1 . . . . . 48 LYS CA . 16620 1
509 . 1 1 66 66 LYS CB C 13 31.472 0.40 . 1 . . . . . 48 LYS CB . 16620 1
510 . 1 1 66 66 LYS CD C 13 28.152 0.40 . 1 . . . . . 48 LYS CD . 16620 1
511 . 1 1 66 66 LYS CE C 13 41.840 0.40 . 1 . . . . . 48 LYS CE . 16620 1
512 . 1 1 66 66 LYS CG C 13 24.713 0.40 . 1 . . . . . 48 LYS CG . 16620 1
513 . 1 1 66 66 LYS N N 15 121.894 0.40 . 1 . . . . . 48 LYS N . 16620 1
514 . 1 1 67 67 ALA H H 1 8.730 0.04 . 1 . . . . . 49 ALA H . 16620 1
515 . 1 1 67 67 ALA HA H 1 3.682 0.04 . 1 . . . . . 49 ALA HA . 16620 1
516 . 1 1 67 67 ALA HB1 H 1 1.650 0.04 . 1 . . . . . 49 ALA HB . 16620 1
517 . 1 1 67 67 ALA HB2 H 1 1.650 0.04 . 1 . . . . . 49 ALA HB . 16620 1
518 . 1 1 67 67 ALA HB3 H 1 1.650 0.04 . 1 . . . . . 49 ALA HB . 16620 1
519 . 1 1 67 67 ALA C C 13 178.339 0.4 . 1 . . . . . 49 ALA C . 16620 1
520 . 1 1 67 67 ALA CA C 13 56.037 0.40 . 1 . . . . . 49 ALA CA . 16620 1
521 . 1 1 67 67 ALA CB C 13 18.126 0.40 . 1 . . . . . 49 ALA CB . 16620 1
522 . 1 1 67 67 ALA N N 15 121.723 0.40 . 1 . . . . . 49 ALA N . 16620 1
523 . 1 1 68 68 LEU H H 1 6.888 0.04 . 1 . . . . . 50 LEU H . 16620 1
524 . 1 1 68 68 LEU HA H 1 4.020 0.04 . 1 . . . . . 50 LEU HA . 16620 1
525 . 1 1 68 68 LEU HB2 H 1 1.785 0.04 . 2 . . . . . 50 LEU HB2 . 16620 1
526 . 1 1 68 68 LEU HB3 H 1 1.740 0.04 . 2 . . . . . 50 LEU HB3 . 16620 1
527 . 1 1 68 68 LEU HD11 H 1 0.940 0.04 . 1 . . . . . 50 LEU HD1 . 16620 1
528 . 1 1 68 68 LEU HD12 H 1 0.940 0.04 . 1 . . . . . 50 LEU HD1 . 16620 1
529 . 1 1 68 68 LEU HD13 H 1 0.940 0.04 . 1 . . . . . 50 LEU HD1 . 16620 1
530 . 1 1 68 68 LEU HD21 H 1 0.869 0.04 . 1 . . . . . 50 LEU HD2 . 16620 1
531 . 1 1 68 68 LEU HD22 H 1 0.869 0.04 . 1 . . . . . 50 LEU HD2 . 16620 1
532 . 1 1 68 68 LEU HD23 H 1 0.869 0.04 . 1 . . . . . 50 LEU HD2 . 16620 1
533 . 1 1 68 68 LEU HG H 1 1.722 0.04 . 1 . . . . . 50 LEU HG . 16620 1
534 . 1 1 68 68 LEU C C 13 178.776 0.4 . 1 . . . . . 50 LEU C . 16620 1
535 . 1 1 68 68 LEU CA C 13 57.892 0.40 . 1 . . . . . 50 LEU CA . 16620 1
536 . 1 1 68 68 LEU CB C 13 41.832 0.40 . 1 . . . . . 50 LEU CB . 16620 1
537 . 1 1 68 68 LEU CD1 C 13 24.692 0.40 . 1 . . . . . 50 LEU CD1 . 16620 1
538 . 1 1 68 68 LEU CD2 C 13 24.542 0.40 . 1 . . . . . 50 LEU CD2 . 16620 1
539 . 1 1 68 68 LEU CG C 13 27.360 0.40 . 1 . . . . . 50 LEU CG . 16620 1
540 . 1 1 68 68 LEU N N 15 115.156 0.40 . 1 . . . . . 50 LEU N . 16620 1
541 . 1 1 69 69 GLU H H 1 7.216 0.04 . 1 . . . . . 51 GLU H . 16620 1
542 . 1 1 69 69 GLU HA H 1 3.836 0.04 . 1 . . . . . 51 GLU HA . 16620 1
543 . 1 1 69 69 GLU HB2 H 1 2.055 0.04 . 2 . . . . . 51 GLU HB2 . 16620 1
544 . 1 1 69 69 GLU HB3 H 1 2.055 0.04 . 2 . . . . . 51 GLU HB3 . 16620 1
545 . 1 1 69 69 GLU HG2 H 1 2.299 0.04 . 2 . . . . . 51 GLU HG2 . 16620 1
546 . 1 1 69 69 GLU HG3 H 1 2.055 0.04 . 2 . . . . . 51 GLU HG3 . 16620 1
547 . 1 1 69 69 GLU C C 13 178.721 0.4 . 1 . . . . . 51 GLU C . 16620 1
548 . 1 1 69 69 GLU CA C 13 59.257 0.40 . 1 . . . . . 51 GLU CA . 16620 1
549 . 1 1 69 69 GLU CB C 13 29.343 0.40 . 1 . . . . . 51 GLU CB . 16620 1
550 . 1 1 69 69 GLU CG C 13 35.959 0.40 . 1 . . . . . 51 GLU CG . 16620 1
551 . 1 1 69 69 GLU N N 15 119.727 0.40 . 1 . . . . . 51 GLU N . 16620 1
552 . 1 1 70 70 LEU H H 1 8.326 0.04 . 1 . . . . . 52 LEU H . 16620 1
553 . 1 1 70 70 LEU HA H 1 3.501 0.04 . 1 . . . . . 52 LEU HA . 16620 1
554 . 1 1 70 70 LEU HB2 H 1 1.079 0.04 . 2 . . . . . 52 LEU HB2 . 16620 1
555 . 1 1 70 70 LEU HB3 H 1 0.454 0.04 . 2 . . . . . 52 LEU HB3 . 16620 1
556 . 1 1 70 70 LEU HD11 H 1 0.745 0.04 . 1 . . . . . 52 LEU HD1 . 16620 1
557 . 1 1 70 70 LEU HD12 H 1 0.745 0.04 . 1 . . . . . 52 LEU HD1 . 16620 1
558 . 1 1 70 70 LEU HD13 H 1 0.745 0.04 . 1 . . . . . 52 LEU HD1 . 16620 1
559 . 1 1 70 70 LEU HD21 H 1 0.013 0.04 . 1 . . . . . 52 LEU HD2 . 16620 1
560 . 1 1 70 70 LEU HD22 H 1 0.013 0.04 . 1 . . . . . 52 LEU HD2 . 16620 1
561 . 1 1 70 70 LEU HD23 H 1 0.013 0.04 . 1 . . . . . 52 LEU HD2 . 16620 1
562 . 1 1 70 70 LEU HG H 1 1.619 0.04 . 1 . . . . . 52 LEU HG . 16620 1
563 . 1 1 70 70 LEU C C 13 178.421 0.4 . 1 . . . . . 52 LEU C . 16620 1
564 . 1 1 70 70 LEU CA C 13 56.814 0.40 . 1 . . . . . 52 LEU CA . 16620 1
565 . 1 1 70 70 LEU CB C 13 39.497 0.40 . 1 . . . . . 52 LEU CB . 16620 1
566 . 1 1 70 70 LEU CD1 C 13 27.463 0.40 . 1 . . . . . 52 LEU CD1 . 16620 1
567 . 1 1 70 70 LEU CD2 C 13 20.817 0.40 . 1 . . . . . 52 LEU CD2 . 16620 1
568 . 1 1 70 70 LEU CG C 13 25.586 0.40 . 1 . . . . . 52 LEU CG . 16620 1
569 . 1 1 70 70 LEU N N 15 117.442 0.40 . 1 . . . . . 52 LEU N . 16620 1
570 . 1 1 71 71 TYR H H 1 7.440 0.04 . 1 . . . . . 53 TYR H . 16620 1
571 . 1 1 71 71 TYR HA H 1 4.010 0.04 . 1 . . . . . 53 TYR HA . 16620 1
572 . 1 1 71 71 TYR HB2 H 1 3.111 0.04 . 2 . . . . . 53 TYR HB2 . 16620 1
573 . 1 1 71 71 TYR HB3 H 1 2.960 0.04 . 2 . . . . . 53 TYR HB3 . 16620 1
574 . 1 1 71 71 TYR HD1 H 1 7.027 0.04 . 3 . . . . . 53 TYR HD1 . 16620 1
575 . 1 1 71 71 TYR HD2 H 1 7.027 0.04 . 3 . . . . . 53 TYR HD2 . 16620 1
576 . 1 1 71 71 TYR HE1 H 1 6.816 0.04 . 3 . . . . . 53 TYR HE1 . 16620 1
577 . 1 1 71 71 TYR HE2 H 1 6.816 0.04 . 3 . . . . . 53 TYR HE2 . 16620 1
578 . 1 1 71 71 TYR C C 13 177.602 0.4 . 1 . . . . . 53 TYR C . 16620 1
579 . 1 1 71 71 TYR CA C 13 60.751 0.40 . 1 . . . . . 53 TYR CA . 16620 1
580 . 1 1 71 71 TYR CB C 13 38.221 0.40 . 1 . . . . . 53 TYR CB . 16620 1
581 . 1 1 71 71 TYR CD1 C 13 133.064 0.40 . 1 . . . . . 53 TYR CD1 . 16620 1
582 . 1 1 71 71 TYR CE1 C 13 118.047 0.40 . 1 . . . . . 53 TYR CE1 . 16620 1
583 . 1 1 71 71 TYR N N 15 118.670 0.40 . 1 . . . . . 53 TYR N . 16620 1
584 . 1 1 72 72 LYS H H 1 7.720 0.04 . 1 . . . . . 54 LYS H . 16620 1
585 . 1 1 72 72 LYS HA H 1 3.543 0.04 . 1 . . . . . 54 LYS HA . 16620 1
586 . 1 1 72 72 LYS HB2 H 1 1.857 0.04 . 2 . . . . . 54 LYS HB2 . 16620 1
587 . 1 1 72 72 LYS HB3 H 1 1.857 0.04 . 2 . . . . . 54 LYS HB3 . 16620 1
588 . 1 1 72 72 LYS HD2 H 1 1.603 0.04 . 2 . . . . . 54 LYS HD2 . 16620 1
589 . 1 1 72 72 LYS HD3 H 1 1.603 0.04 . 2 . . . . . 54 LYS HD3 . 16620 1
590 . 1 1 72 72 LYS HE2 H 1 2.853 0.04 . 2 . . . . . 54 LYS HE2 . 16620 1
591 . 1 1 72 72 LYS HE3 H 1 2.853 0.04 . 2 . . . . . 54 LYS HE3 . 16620 1
592 . 1 1 72 72 LYS HG2 H 1 1.320 0.04 . 2 . . . . . 54 LYS HG2 . 16620 1
593 . 1 1 72 72 LYS HG3 H 1 1.320 0.04 . 2 . . . . . 54 LYS HG3 . 16620 1
594 . 1 1 72 72 LYS C C 13 178.216 0.4 . 1 . . . . . 54 LYS C . 16620 1
595 . 1 1 72 72 LYS CA C 13 59.475 0.40 . 1 . . . . . 54 LYS CA . 16620 1
596 . 1 1 72 72 LYS CB C 13 32.400 0.40 . 1 . . . . . 54 LYS CB . 16620 1
597 . 1 1 72 72 LYS CD C 13 29.244 0.40 . 1 . . . . . 54 LYS CD . 16620 1
598 . 1 1 72 72 LYS CE C 13 42.200 0.40 . 1 . . . . . 54 LYS CE . 16620 1
599 . 1 1 72 72 LYS CG C 13 25.177 0.40 . 1 . . . . . 54 LYS CG . 16620 1
600 . 1 1 72 72 LYS N N 15 120.512 0.40 . 1 . . . . . 54 LYS N . 16620 1
601 . 1 1 73 73 ILE H H 1 7.265 0.04 . 1 . . . . . 55 ILE H . 16620 1
602 . 1 1 73 73 ILE HA H 1 4.327 0.04 . 1 . . . . . 55 ILE HA . 16620 1
603 . 1 1 73 73 ILE HB H 1 2.083 0.04 . 1 . . . . . 55 ILE HB . 16620 1
604 . 1 1 73 73 ILE HD11 H 1 0.654 0.04 . 1 . . . . . 55 ILE HD1 . 16620 1
605 . 1 1 73 73 ILE HD12 H 1 0.654 0.04 . 1 . . . . . 55 ILE HD1 . 16620 1
606 . 1 1 73 73 ILE HD13 H 1 0.654 0.04 . 1 . . . . . 55 ILE HD1 . 16620 1
607 . 1 1 73 73 ILE HG21 H 1 0.784 0.04 . 1 . . . . . 55 ILE HG2 . 16620 1
608 . 1 1 73 73 ILE HG22 H 1 0.784 0.04 . 1 . . . . . 55 ILE HG2 . 16620 1
609 . 1 1 73 73 ILE HG23 H 1 0.784 0.04 . 1 . . . . . 55 ILE HG2 . 16620 1
610 . 1 1 73 73 ILE CA C 13 60.625 0.40 . 1 . . . . . 55 ILE CA . 16620 1
611 . 1 1 73 73 ILE CB C 13 38.244 0.40 . 1 . . . . . 55 ILE CB . 16620 1
612 . 1 1 73 73 ILE CD1 C 13 13.789 0.40 . 1 . . . . . 55 ILE CD1 . 16620 1
613 . 1 1 73 73 ILE CG2 C 13 17.173 0.40 . 1 . . . . . 55 ILE CG2 . 16620 1
614 . 1 1 73 73 ILE N N 15 109.032 0.40 . 1 . . . . . 55 ILE N . 16620 1
615 . 1 1 74 74 ASN HA H 1 4.225 0.04 . 1 . . . . . 56 ASN HA . 16620 1
616 . 1 1 74 74 ASN HB2 H 1 2.995 0.04 . 2 . . . . . 56 ASN HB2 . 16620 1
617 . 1 1 74 74 ASN HB3 H 1 2.515 0.04 . 2 . . . . . 56 ASN HB3 . 16620 1
618 . 1 1 74 74 ASN HD21 H 1 7.385 0.04 . 1 . . . . . 56 ASN HD21 . 16620 1
619 . 1 1 74 74 ASN HD22 H 1 6.643 0.04 . 2 . . . . . 56 ASN HD22 . 16620 1
620 . 1 1 74 74 ASN C C 13 174.532 0.4 . 1 . . . . . 56 ASN C . 16620 1
621 . 1 1 74 74 ASN CA C 13 53.853 0.40 . 1 . . . . . 56 ASN CA . 16620 1
622 . 1 1 74 74 ASN CB C 13 37.027 0.40 . 1 . . . . . 56 ASN CB . 16620 1
623 . 1 1 74 74 ASN ND2 N 15 112.042 0.04 . 1 . . . . . 56 ASN ND2 . 16620 1
624 . 1 1 75 75 ALA H H 1 7.653 0.04 . 1 . . . . . 57 ALA H . 16620 1
625 . 1 1 75 75 ALA HA H 1 4.126 0.04 . 1 . . . . . 57 ALA HA . 16620 1
626 . 1 1 75 75 ALA HB1 H 1 1.065 0.04 . 1 . . . . . 57 ALA HB . 16620 1
627 . 1 1 75 75 ALA HB2 H 1 1.065 0.04 . 1 . . . . . 57 ALA HB . 16620 1
628 . 1 1 75 75 ALA HB3 H 1 1.065 0.04 . 1 . . . . . 57 ALA HB . 16620 1
629 . 1 1 75 75 ALA C C 13 177.848 0.4 . 1 . . . . . 57 ALA C . 16620 1
630 . 1 1 75 75 ALA CA C 13 51.969 0.40 . 1 . . . . . 57 ALA CA . 16620 1
631 . 1 1 75 75 ALA CB C 13 20.500 0.40 . 1 . . . . . 57 ALA CB . 16620 1
632 . 1 1 75 75 ALA N N 15 119.216 0.40 . 1 . . . . . 57 ALA N . 16620 1
633 . 1 1 76 76 LYS H H 1 8.612 0.04 . 1 . . . . . 58 LYS H . 16620 1
634 . 1 1 76 76 LYS HA H 1 3.999 0.04 . 1 . . . . . 58 LYS HA . 16620 1
635 . 1 1 76 76 LYS HB2 H 1 1.823 0.04 . 2 . . . . . 58 LYS HB2 . 16620 1
636 . 1 1 76 76 LYS HB3 H 1 1.823 0.04 . 2 . . . . . 58 LYS HB3 . 16620 1
637 . 1 1 76 76 LYS HD2 H 1 1.553 0.04 . 2 . . . . . 58 LYS HD2 . 16620 1
638 . 1 1 76 76 LYS HD3 H 1 1.553 0.04 . 2 . . . . . 58 LYS HD3 . 16620 1
639 . 1 1 76 76 LYS HE2 H 1 2.945 0.04 . 2 . . . . . 58 LYS HE2 . 16620 1
640 . 1 1 76 76 LYS HE3 H 1 2.945 0.04 . 2 . . . . . 58 LYS HE3 . 16620 1
641 . 1 1 76 76 LYS HG2 H 1 1.314 0.04 . 2 . . . . . 58 LYS HG2 . 16620 1
642 . 1 1 76 76 LYS HG3 H 1 1.184 0.04 . 2 . . . . . 58 LYS HG3 . 16620 1
643 . 1 1 76 76 LYS C C 13 176.142 0.4 . 1 . . . . . 58 LYS C . 16620 1
644 . 1 1 76 76 LYS CA C 13 58.220 0.40 . 1 . . . . . 58 LYS CA . 16620 1
645 . 1 1 76 76 LYS CB C 13 32.673 0.40 . 1 . . . . . 58 LYS CB . 16620 1
646 . 1 1 76 76 LYS CD C 13 29.353 0.40 . 1 . . . . . 58 LYS CD . 16620 1
647 . 1 1 76 76 LYS CE C 13 42.181 0.40 . 1 . . . . . 58 LYS CE . 16620 1
648 . 1 1 76 76 LYS CG C 13 25.136 0.40 . 1 . . . . . 58 LYS CG . 16620 1
649 . 1 1 76 76 LYS N N 15 122.696 0.40 . 1 . . . . . 58 LYS N . 16620 1
650 . 1 1 77 77 LEU H H 1 8.427 0.04 . 1 . . . . . 59 LEU H . 16620 1
651 . 1 1 77 77 LEU HA H 1 4.954 0.04 . 1 . . . . . 59 LEU HA . 16620 1
652 . 1 1 77 77 LEU HB2 H 1 1.335 0.04 . 2 . . . . . 59 LEU HB2 . 16620 1
653 . 1 1 77 77 LEU HB3 H 1 1.242 0.04 . 2 . . . . . 59 LEU HB3 . 16620 1
654 . 1 1 77 77 LEU HD11 H 1 0.369 0.04 . 1 . . . . . 59 LEU HD1 . 16620 1
655 . 1 1 77 77 LEU HD12 H 1 0.369 0.04 . 1 . . . . . 59 LEU HD1 . 16620 1
656 . 1 1 77 77 LEU HD13 H 1 0.369 0.04 . 1 . . . . . 59 LEU HD1 . 16620 1
657 . 1 1 77 77 LEU HD21 H 1 0.079 0.04 . 1 . . . . . 59 LEU HD2 . 16620 1
658 . 1 1 77 77 LEU HD22 H 1 0.079 0.04 . 1 . . . . . 59 LEU HD2 . 16620 1
659 . 1 1 77 77 LEU HD23 H 1 0.079 0.04 . 1 . . . . . 59 LEU HD2 . 16620 1
660 . 1 1 77 77 LEU HG H 1 1.223 0.04 . 1 . . . . . 59 LEU HG . 16620 1
661 . 1 1 77 77 LEU C C 13 177.712 0.4 . 1 . . . . . 59 LEU C . 16620 1
662 . 1 1 77 77 LEU CA C 13 52.843 0.40 . 1 . . . . . 59 LEU CA . 16620 1
663 . 1 1 77 77 LEU CB C 13 43.611 0.40 . 1 . . . . . 59 LEU CB . 16620 1
664 . 1 1 77 77 LEU CD1 C 13 24.788 0.40 . 1 . . . . . 59 LEU CD1 . 16620 1
665 . 1 1 77 77 LEU CD2 C 13 24.447 0.40 . 1 . . . . . 59 LEU CD2 . 16620 1
666 . 1 1 77 77 LEU CG C 13 26.623 0.40 . 1 . . . . . 59 LEU CG . 16620 1
667 . 1 1 77 77 LEU N N 15 129.775 0.40 . 1 . . . . . 59 LEU N . 16620 1
668 . 1 1 78 78 CYS H H 1 8.573 0.04 . 1 . . . . . 60 CYS H . 16620 1
669 . 1 1 78 78 CYS HA H 1 3.938 0.04 . 1 . . . . . 60 CYS HA . 16620 1
670 . 1 1 78 78 CYS HB2 H 1 2.983 0.04 . 2 . . . . . 60 CYS HB2 . 16620 1
671 . 1 1 78 78 CYS HB3 H 1 2.714 0.04 . 2 . . . . . 60 CYS HB3 . 16620 1
672 . 1 1 78 78 CYS C C 13 176.265 0.4 . 1 . . . . . 60 CYS C . 16620 1
673 . 1 1 78 78 CYS CA C 13 61.768 0.40 . 1 . . . . . 60 CYS CA . 16620 1
674 . 1 1 78 78 CYS CB C 13 31.103 0.40 . 1 . . . . . 60 CYS CB . 16620 1
675 . 1 1 78 78 CYS N N 15 126.244 0.40 . 1 . . . . . 60 CYS N . 16620 1
676 . 1 1 79 79 ASP H H 1 8.570 0.04 . 1 . . . . . 61 ASP H . 16620 1
677 . 1 1 79 79 ASP HA H 1 4.765 0.04 . 1 . . . . . 61 ASP HA . 16620 1
678 . 1 1 79 79 ASP HB2 H 1 2.625 0.04 . 2 . . . . . 61 ASP HB2 . 16620 1
679 . 1 1 79 79 ASP HB3 H 1 2.389 0.04 . 2 . . . . . 61 ASP HB3 . 16620 1
680 . 1 1 79 79 ASP CA C 13 52.464 0.40 . 1 . . . . . 61 ASP CA . 16620 1
681 . 1 1 79 79 ASP CB C 13 40.598 0.40 . 1 . . . . . 61 ASP CB . 16620 1
682 . 1 1 79 79 ASP N N 15 123.037 0.40 . 1 . . . . . 61 ASP N . 16620 1
683 . 1 1 80 80 PRO HA H 1 4.351 0.04 . 1 . . . . . 62 PRO HA . 16620 1
684 . 1 1 80 80 PRO HB2 H 1 2.184 0.04 . 2 . . . . . 62 PRO HB2 . 16620 1
685 . 1 1 80 80 PRO HB3 H 1 1.785 0.04 . 2 . . . . . 62 PRO HB3 . 16620 1
686 . 1 1 80 80 PRO HD2 H 1 3.712 0.04 . 2 . . . . . 62 PRO HD2 . 16620 1
687 . 1 1 80 80 PRO HD3 H 1 3.594 0.04 . 2 . . . . . 62 PRO HD3 . 16620 1
688 . 1 1 80 80 PRO HG2 H 1 1.868 0.04 . 2 . . . . . 62 PRO HG2 . 16620 1
689 . 1 1 80 80 PRO HG3 H 1 1.868 0.04 . 2 . . . . . 62 PRO HG3 . 16620 1
690 . 1 1 80 80 PRO C C 13 175.296 0.4 . 1 . . . . . 62 PRO C . 16620 1
691 . 1 1 80 80 PRO CA C 13 63.419 0.40 . 1 . . . . . 62 PRO CA . 16620 1
692 . 1 1 80 80 PRO CB C 13 31.963 0.40 . 1 . . . . . 62 PRO CB . 16620 1
693 . 1 1 80 80 PRO CD C 13 50.383 0.40 . 1 . . . . . 62 PRO CD . 16620 1
694 . 1 1 80 80 PRO CG C 13 27.306 0.40 . 1 . . . . . 62 PRO CG . 16620 1
695 . 1 1 81 81 HIS H H 1 8.283 0.04 . 1 . . . . . 63 HIS H . 16620 1
696 . 1 1 81 81 HIS HA H 1 4.737 0.04 . 1 . . . . . 63 HIS HA . 16620 1
697 . 1 1 81 81 HIS CA C 13 54.272 0.40 . 1 . . . . . 63 HIS CA . 16620 1
698 . 1 1 81 81 HIS N N 15 122.934 0.40 . 1 . . . . . 63 HIS N . 16620 1
699 . 1 1 82 82 PRO HA H 1 4.169 0.04 . 1 . . . . . 64 PRO HA . 16620 1
700 . 1 1 82 82 PRO HB2 H 1 2.119 0.04 . 2 . . . . . 64 PRO HB2 . 16620 1
701 . 1 1 82 82 PRO HB3 H 1 1.810 0.04 . 2 . . . . . 64 PRO HB3 . 16620 1
702 . 1 1 82 82 PRO HD2 H 1 3.576 0.04 . 2 . . . . . 64 PRO HD2 . 16620 1
703 . 1 1 82 82 PRO HD3 H 1 3.183 0.04 . 2 . . . . . 64 PRO HD3 . 16620 1
704 . 1 1 82 82 PRO HG2 H 1 1.819 0.04 . 2 . . . . . 64 PRO HG2 . 16620 1
705 . 1 1 82 82 PRO HG3 H 1 1.819 0.04 . 2 . . . . . 64 PRO HG3 . 16620 1
706 . 1 1 82 82 PRO CA C 13 64.944 0.40 . 1 . . . . . 64 PRO CA . 16620 1
707 . 1 1 82 82 PRO CB C 13 32.123 0.40 . 1 . . . . . 64 PRO CB . 16620 1
708 . 1 1 82 82 PRO CD C 13 50.397 0.40 . 1 . . . . . 64 PRO CD . 16620 1
709 . 1 1 82 82 PRO CG C 13 27.360 0.40 . 1 . . . . . 64 PRO CG . 16620 1
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