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 19000
_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
;
The heterogeneity of viv0002 expressed in Escherichia coli BL21 (DE3) was
observed. Three extra peaks in 15N HSQC and more than 25 extra peaks in
13C HSQC were identified. These peaks are grouped into three fragments,
one assigned as GlcNAc, the other two fragments could not be accurately
assigned given the limited information we have, but they are likely to
belong to glycans. These fragments display intra NOEs only and remain
solvent exposed with strong and narrow line widths. NMR relaxation data
showed that these unknown modifications are highly mobile and no
interaction with viv0002.
Heterologously expressed viv0002 was confirmed by LC-MS. A mass shift of
178 Da of 15N-labeled viv0002 was detected whereas a shift of 72 Da for
13C/15N-labeled sample. However, neither of results matches any three
unknown fragments seen in the NMR spectrum with MW 202 Da, 155 Da and
204 Da, respectively.
The nature and functional consequence of the unknown
fragments/modifications to viv0002 are not understood at this stage. The
structure deposited provides the basis of the future investigation.
;
_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' . . . 19000 1
2 '3D CBCA(CO)NH' . . . 19000 1
3 '3D HBHA(CO)NH' . . . 19000 1
4 '3D HNCA' . . . 19000 1
5 '3D HCCH-TOCSY' . . . 19000 1
6 '3D CCH-TOCSY' . . . 19000 1
7 '3D 1H-15N NOESY' . . . 19000 1
8 '3D 1H-13C NOESY' . . . 19000 1
9 '3D 1H-13C NOESY aromatic' . . . 19000 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 27 27 LYS HA H 1 4.307 0.04 . 1 . . . A 3 LYS HA . 19000 1
2 . 1 1 27 27 LYS HB2 H 1 1.834 0.04 . 2 . . . A 3 LYS HB2 . 19000 1
3 . 1 1 27 27 LYS HB3 H 1 1.728 0.04 . 2 . . . A 3 LYS HB3 . 19000 1
4 . 1 1 27 27 LYS HG2 H 1 1.404 0.04 . 2 . . . A 3 LYS HG2 . 19000 1
5 . 1 1 27 27 LYS HG3 H 1 1.353 0.04 . 2 . . . A 3 LYS HG3 . 19000 1
6 . 1 1 27 27 LYS HD2 H 1 1.627 0.04 . 2 . . . A 3 LYS HD2 . 19000 1
7 . 1 1 27 27 LYS HD3 H 1 1.627 0.04 . 2 . . . A 3 LYS HD3 . 19000 1
8 . 1 1 27 27 LYS HE2 H 1 2.926 0.04 . 2 . . . A 3 LYS HE2 . 19000 1
9 . 1 1 27 27 LYS HE3 H 1 2.926 0.04 . 2 . . . A 3 LYS HE3 . 19000 1
10 . 1 1 27 27 LYS CA C 13 56.870 0.40 . 1 . . . A 3 LYS CA . 19000 1
11 . 1 1 27 27 LYS CB C 13 32.870 0.40 . 1 . . . A 3 LYS CB . 19000 1
12 . 1 1 27 27 LYS CG C 13 24.710 0.40 . 1 . . . A 3 LYS CG . 19000 1
13 . 1 1 27 27 LYS CD C 13 29.280 0.40 . 1 . . . A 3 LYS CD . 19000 1
14 . 1 1 27 27 LYS CE C 13 42.140 0.40 . 1 . . . A 3 LYS CE . 19000 1
15 . 1 1 28 28 THR HA H 1 4.217 0.04 . 1 . . . A 4 THR HA . 19000 1
16 . 1 1 28 28 THR HB H 1 4.100 0.04 . 1 . . . A 4 THR HB . 19000 1
17 . 1 1 28 28 THR HG21 H 1 1.093 0.04 . 1 . . . A 4 THR HG21 . 19000 1
18 . 1 1 28 28 THR HG22 H 1 1.093 0.04 . 1 . . . A 4 THR HG22 . 19000 1
19 . 1 1 28 28 THR HG23 H 1 1.093 0.04 . 1 . . . A 4 THR HG23 . 19000 1
20 . 1 1 28 28 THR CA C 13 61.800 0.40 . 1 . . . A 4 THR CA . 19000 1
21 . 1 1 28 28 THR CB C 13 70.020 0.40 . 1 . . . A 4 THR CB . 19000 1
22 . 1 1 28 28 THR CG2 C 13 21.540 0.40 . 1 . . . A 4 THR CG2 . 19000 1
23 . 1 1 29 29 ALA HA H 1 4.205 0.04 . 1 . . . A 5 ALA HA . 19000 1
24 . 1 1 29 29 ALA HB1 H 1 1.292 0.04 . 1 . . . A 5 ALA HB1 . 19000 1
25 . 1 1 29 29 ALA HB2 H 1 1.292 0.04 . 1 . . . A 5 ALA HB2 . 19000 1
26 . 1 1 29 29 ALA HB3 H 1 1.292 0.04 . 1 . . . A 5 ALA HB3 . 19000 1
27 . 1 1 29 29 ALA C C 13 177.085 0.40 . 1 . . . A 5 ALA C . 19000 1
28 . 1 1 29 29 ALA CA C 13 52.940 0.40 . 1 . . . A 5 ALA CA . 19000 1
29 . 1 1 29 29 ALA CB C 13 19.350 0.40 . 1 . . . A 5 ALA CB . 19000 1
30 . 1 1 30 30 LYS H H 1 8.035 0.04 . 1 . . . A 6 LYS H . 19000 1
31 . 1 1 30 30 LYS HA H 1 4.243 0.04 . 1 . . . A 6 LYS HA . 19000 1
32 . 1 1 30 30 LYS HB2 H 1 1.704 0.04 . 2 . . . A 6 LYS HB2 . 19000 1
33 . 1 1 30 30 LYS HB3 H 1 1.652 0.04 . 2 . . . A 6 LYS HB3 . 19000 1
34 . 1 1 30 30 LYS HG2 H 1 1.350 0.04 . 2 . . . A 6 LYS HG2 . 19000 1
35 . 1 1 30 30 LYS HG3 H 1 1.350 0.04 . 2 . . . A 6 LYS HG3 . 19000 1
36 . 1 1 30 30 LYS HD2 H 1 1.601 0.04 . 2 . . . A 6 LYS HD2 . 19000 1
37 . 1 1 30 30 LYS HD3 H 1 1.601 0.04 . 2 . . . A 6 LYS HD3 . 19000 1
38 . 1 1 30 30 LYS HE2 H 1 2.926 0.04 . 2 . . . A 6 LYS HE2 . 19000 1
39 . 1 1 30 30 LYS HE3 H 1 2.926 0.04 . 2 . . . A 6 LYS HE3 . 19000 1
40 . 1 1 30 30 LYS CA C 13 56.140 0.40 . 1 . . . A 6 LYS CA . 19000 1
41 . 1 1 30 30 LYS CB C 13 33.290 0.40 . 1 . . . A 6 LYS CB . 19000 1
42 . 1 1 30 30 LYS CG C 13 24.660 0.40 . 1 . . . A 6 LYS CG . 19000 1
43 . 1 1 30 30 LYS CD C 13 29.080 0.40 . 1 . . . A 6 LYS CD . 19000 1
44 . 1 1 30 30 LYS CE C 13 42.140 0.40 . 1 . . . A 6 LYS CE . 19000 1
45 . 1 1 30 30 LYS N N 15 120.316 0.40 . 1 . . . A 6 LYS N . 19000 1
46 . 1 1 31 31 LEU H H 1 8.782 0.04 . 1 . . . A 7 LEU H . 19000 1
47 . 1 1 31 31 LEU HA H 1 4.253 0.04 . 1 . . . A 7 LEU HA . 19000 1
48 . 1 1 31 31 LEU HB2 H 1 1.516 0.04 . 2 . . . A 7 LEU HB2 . 19000 1
49 . 1 1 31 31 LEU HB3 H 1 1.347 0.04 . 2 . . . A 7 LEU HB3 . 19000 1
50 . 1 1 31 31 LEU HG H 1 1.512 0.04 . 1 . . . A 7 LEU HG . 19000 1
51 . 1 1 31 31 LEU HD11 H 1 0.608 0.04 . 2 . . . A 7 LEU HD11 . 19000 1
52 . 1 1 31 31 LEU HD12 H 1 0.608 0.04 . 2 . . . A 7 LEU HD12 . 19000 1
53 . 1 1 31 31 LEU HD13 H 1 0.608 0.04 . 2 . . . A 7 LEU HD13 . 19000 1
54 . 1 1 31 31 LEU HD21 H 1 0.505 0.04 . 2 . . . A 7 LEU HD21 . 19000 1
55 . 1 1 31 31 LEU HD22 H 1 0.505 0.04 . 2 . . . A 7 LEU HD22 . 19000 1
56 . 1 1 31 31 LEU HD23 H 1 0.505 0.04 . 2 . . . A 7 LEU HD23 . 19000 1
57 . 1 1 31 31 LEU CA C 13 54.870 0.40 . 1 . . . A 7 LEU CA . 19000 1
58 . 1 1 31 31 LEU CB C 13 42.380 0.40 . 1 . . . A 7 LEU CB . 19000 1
59 . 1 1 31 31 LEU CG C 13 27.100 0.40 . 1 . . . A 7 LEU CG . 19000 1
60 . 1 1 31 31 LEU CD1 C 13 25.240 0.40 . 2 . . . A 7 LEU CD1 . 19000 1
61 . 1 1 31 31 LEU CD2 C 13 23.100 0.40 . 2 . . . A 7 LEU CD2 . 19000 1
62 . 1 1 31 31 LEU N N 15 124.900 0.40 . 1 . . . A 7 LEU N . 19000 1
63 . 1 1 33 33 ASN HA H 1 4.706 0.04 . 1 . . . A 9 ASN HA . 19000 1
64 . 1 1 33 33 ASN HB2 H 1 2.847 0.04 . 2 . . . A 9 ASN HB2 . 19000 1
65 . 1 1 33 33 ASN HB3 H 1 2.847 0.04 . 2 . . . A 9 ASN HB3 . 19000 1
66 . 1 1 33 33 ASN HD21 H 1 7.606 0.04 . 2 . . . A 9 ASN HD21 . 19000 1
67 . 1 1 33 33 ASN HD22 H 1 7.084 0.04 . 2 . . . A 9 ASN HD22 . 19000 1
68 . 1 1 33 33 ASN C C 13 175.856 0.40 . 1 . . . A 9 ASN C . 19000 1
69 . 1 1 33 33 ASN CA C 13 53.800 0.40 . 1 . . . A 9 ASN CA . 19000 1
70 . 1 1 33 33 ASN CB C 13 38.010 0.40 . 1 . . . A 9 ASN CB . 19000 1
71 . 1 1 33 33 ASN ND2 N 15 115.012 0.40 . 1 . . . A 9 ASN ND2 . 19000 1
72 . 1 1 34 34 GLU H H 1 7.922 0.04 . 1 . . . A 10 GLU H . 19000 1
73 . 1 1 34 34 GLU HA H 1 3.655 0.04 . 1 . . . A 10 GLU HA . 19000 1
74 . 1 1 34 34 GLU HB2 H 1 2.348 0.04 . 2 . . . A 10 GLU HB2 . 19000 1
75 . 1 1 34 34 GLU HB3 H 1 1.983 0.04 . 2 . . . A 10 GLU HB3 . 19000 1
76 . 1 1 34 34 GLU HG2 H 1 2.102 0.04 . 2 . . . A 10 GLU HG2 . 19000 1
77 . 1 1 34 34 GLU HG3 H 1 2.102 0.04 . 2 . . . A 10 GLU HG3 . 19000 1
78 . 1 1 34 34 GLU C C 13 177.454 0.40 . 1 . . . A 10 GLU C . 19000 1
79 . 1 1 34 34 GLU CA C 13 61.660 0.40 . 1 . . . A 10 GLU CA . 19000 1
80 . 1 1 34 34 GLU CB C 13 29.900 0.40 . 1 . . . A 10 GLU CB . 19000 1
81 . 1 1 34 34 GLU CG C 13 37.190 0.40 . 1 . . . A 10 GLU CG . 19000 1
82 . 1 1 34 34 GLU N N 15 119.396 0.40 . 1 . . . A 10 GLU N . 19000 1
83 . 1 1 35 35 GLU H H 1 8.725 0.04 . 1 . . . A 11 GLU H . 19000 1
84 . 1 1 35 35 GLU HA H 1 3.991 0.04 . 1 . . . A 11 GLU HA . 19000 1
85 . 1 1 35 35 GLU HB2 H 1 2.071 0.04 . 2 . . . A 11 GLU HB2 . 19000 1
86 . 1 1 35 35 GLU HB3 H 1 2.024 0.04 . 2 . . . A 11 GLU HB3 . 19000 1
87 . 1 1 35 35 GLU HG2 H 1 2.356 0.04 . 2 . . . A 11 GLU HG2 . 19000 1
88 . 1 1 35 35 GLU HG3 H 1 2.291 0.04 . 2 . . . A 11 GLU HG3 . 19000 1
89 . 1 1 35 35 GLU C C 13 179.727 0.40 . 1 . . . A 11 GLU C . 19000 1
90 . 1 1 35 35 GLU CA C 13 60.120 0.40 . 1 . . . A 11 GLU CA . 19000 1
91 . 1 1 35 35 GLU CB C 13 29.020 0.40 . 1 . . . A 11 GLU CB . 19000 1
92 . 1 1 35 35 GLU CG C 13 36.260 0.40 . 1 . . . A 11 GLU CG . 19000 1
93 . 1 1 35 35 GLU N N 15 117.048 0.40 . 1 . . . A 11 GLU N . 19000 1
94 . 1 1 36 36 LYS H H 1 7.659 0.04 . 1 . . . A 12 LYS H . 19000 1
95 . 1 1 36 36 LYS HA H 1 4.014 0.04 . 1 . . . A 12 LYS HA . 19000 1
96 . 1 1 36 36 LYS HB2 H 1 1.844 0.04 . 2 . . . A 12 LYS HB2 . 19000 1
97 . 1 1 36 36 LYS HB3 H 1 1.844 0.04 . 2 . . . A 12 LYS HB3 . 19000 1
98 . 1 1 36 36 LYS HG2 H 1 1.621 0.04 . 2 . . . A 12 LYS HG2 . 19000 1
99 . 1 1 36 36 LYS HG3 H 1 1.422 0.04 . 2 . . . A 12 LYS HG3 . 19000 1
100 . 1 1 36 36 LYS HD2 H 1 1.681 0.04 . 2 . . . A 12 LYS HD2 . 19000 1
101 . 1 1 36 36 LYS HD3 H 1 1.681 0.04 . 2 . . . A 12 LYS HD3 . 19000 1
102 . 1 1 36 36 LYS HE2 H 1 2.957 0.04 . 2 . . . A 12 LYS HE2 . 19000 1
103 . 1 1 36 36 LYS HE3 H 1 2.957 0.04 . 2 . . . A 12 LYS HE3 . 19000 1
104 . 1 1 36 36 LYS C C 13 179.947 0.40 . 1 . . . A 12 LYS C . 19000 1
105 . 1 1 36 36 LYS CA C 13 59.570 0.40 . 1 . . . A 12 LYS CA . 19000 1
106 . 1 1 36 36 LYS CB C 13 32.960 0.40 . 1 . . . A 12 LYS CB . 19000 1
107 . 1 1 36 36 LYS CG C 13 26.120 0.40 . 1 . . . A 12 LYS CG . 19000 1
108 . 1 1 36 36 LYS CD C 13 29.520 0.40 . 1 . . . A 12 LYS CD . 19000 1
109 . 1 1 36 36 LYS CE C 13 42.440 0.40 . 1 . . . A 12 LYS CE . 19000 1
110 . 1 1 36 36 LYS N N 15 118.908 0.40 . 1 . . . A 12 LYS N . 19000 1
111 . 1 1 37 37 LEU H H 1 8.094 0.04 . 1 . . . A 13 LEU H . 19000 1
112 . 1 1 37 37 LEU HA H 1 4.019 0.04 . 1 . . . A 13 LEU HA . 19000 1
113 . 1 1 37 37 LEU HB2 H 1 2.197 0.04 . 2 . . . A 13 LEU HB2 . 19000 1
114 . 1 1 37 37 LEU HB3 H 1 1.456 0.04 . 2 . . . A 13 LEU HB3 . 19000 1
115 . 1 1 37 37 LEU HG H 1 1.803 0.04 . 1 . . . A 13 LEU HG . 19000 1
116 . 1 1 37 37 LEU HD11 H 1 0.962 0.04 . 2 . . . A 13 LEU HD11 . 19000 1
117 . 1 1 37 37 LEU HD12 H 1 0.962 0.04 . 2 . . . A 13 LEU HD12 . 19000 1
118 . 1 1 37 37 LEU HD13 H 1 0.962 0.04 . 2 . . . A 13 LEU HD13 . 19000 1
119 . 1 1 37 37 LEU HD21 H 1 0.908 0.04 . 2 . . . A 13 LEU HD21 . 19000 1
120 . 1 1 37 37 LEU HD22 H 1 0.908 0.04 . 2 . . . A 13 LEU HD22 . 19000 1
121 . 1 1 37 37 LEU HD23 H 1 0.908 0.04 . 2 . . . A 13 LEU HD23 . 19000 1
122 . 1 1 37 37 LEU C C 13 178.691 0.40 . 1 . . . A 13 LEU C . 19000 1
123 . 1 1 37 37 LEU CA C 13 58.040 0.40 . 1 . . . A 13 LEU CA . 19000 1
124 . 1 1 37 37 LEU CB C 13 41.460 0.40 . 1 . . . A 13 LEU CB . 19000 1
125 . 1 1 37 37 LEU CG C 13 27.290 0.40 . 1 . . . A 13 LEU CG . 19000 1
126 . 1 1 37 37 LEU CD1 C 13 27.290 0.40 . 2 . . . A 13 LEU CD1 . 19000 1
127 . 1 1 37 37 LEU CD2 C 13 24.220 0.40 . 2 . . . A 13 LEU CD2 . 19000 1
128 . 1 1 37 37 LEU N N 15 121.257 0.40 . 1 . . . A 13 LEU N . 19000 1
129 . 1 1 38 38 VAL H H 1 8.730 0.04 . 1 . . . A 14 VAL H . 19000 1
130 . 1 1 38 38 VAL HA H 1 3.388 0.04 . 1 . . . A 14 VAL HA . 19000 1
131 . 1 1 38 38 VAL HB H 1 2.208 0.04 . 1 . . . A 14 VAL HB . 19000 1
132 . 1 1 38 38 VAL HG11 H 1 0.900 0.04 . 2 . . . A 14 VAL HG11 . 19000 1
133 . 1 1 38 38 VAL HG12 H 1 0.900 0.04 . 2 . . . A 14 VAL HG12 . 19000 1
134 . 1 1 38 38 VAL HG13 H 1 0.900 0.04 . 2 . . . A 14 VAL HG13 . 19000 1
135 . 1 1 38 38 VAL HG21 H 1 1.163 0.04 . 2 . . . A 14 VAL HG21 . 19000 1
136 . 1 1 38 38 VAL HG22 H 1 1.163 0.04 . 2 . . . A 14 VAL HG22 . 19000 1
137 . 1 1 38 38 VAL HG23 H 1 1.163 0.04 . 2 . . . A 14 VAL HG23 . 19000 1
138 . 1 1 38 38 VAL C C 13 177.550 0.40 . 1 . . . A 14 VAL C . 19000 1
139 . 1 1 38 38 VAL CA C 13 67.610 0.40 . 1 . . . A 14 VAL CA . 19000 1
140 . 1 1 38 38 VAL CB C 13 31.250 0.40 . 1 . . . A 14 VAL CB . 19000 1
141 . 1 1 38 38 VAL CG1 C 13 21.360 0.40 . 2 . . . A 14 VAL CG1 . 19000 1
142 . 1 1 38 38 VAL CG2 C 13 24.810 0.40 . 2 . . . A 14 VAL CG2 . 19000 1
143 . 1 1 38 38 VAL N N 15 120.164 0.40 . 1 . . . A 14 VAL N . 19000 1
144 . 1 1 39 39 LYS H H 1 7.573 0.04 . 1 . . . A 15 LYS H . 19000 1
145 . 1 1 39 39 LYS HA H 1 3.882 0.04 . 1 . . . A 15 LYS HA . 19000 1
146 . 1 1 39 39 LYS HB2 H 1 1.930 0.04 . 2 . . . A 15 LYS HB2 . 19000 1
147 . 1 1 39 39 LYS HB3 H 1 1.930 0.04 . 2 . . . A 15 LYS HB3 . 19000 1
148 . 1 1 39 39 LYS HG2 H 1 1.610 0.04 . 2 . . . A 15 LYS HG2 . 19000 1
149 . 1 1 39 39 LYS HG3 H 1 1.432 0.04 . 2 . . . A 15 LYS HG3 . 19000 1
150 . 1 1 39 39 LYS HD2 H 1 1.681 0.04 . 2 . . . A 15 LYS HD2 . 19000 1
151 . 1 1 39 39 LYS HD3 H 1 1.681 0.04 . 2 . . . A 15 LYS HD3 . 19000 1
152 . 1 1 39 39 LYS HE2 H 1 2.974 0.04 . 2 . . . A 15 LYS HE2 . 19000 1
153 . 1 1 39 39 LYS HE3 H 1 2.974 0.04 . 2 . . . A 15 LYS HE3 . 19000 1
154 . 1 1 39 39 LYS C C 13 179.385 0.40 . 1 . . . A 15 LYS C . 19000 1
155 . 1 1 39 39 LYS CA C 13 60.530 0.40 . 1 . . . A 15 LYS CA . 19000 1
156 . 1 1 39 39 LYS CB C 13 32.570 0.40 . 1 . . . A 15 LYS CB . 19000 1
157 . 1 1 39 39 LYS CG C 13 25.440 0.40 . 1 . . . A 15 LYS CG . 19000 1
158 . 1 1 39 39 LYS CD C 13 29.670 0.40 . 1 . . . A 15 LYS CD . 19000 1
159 . 1 1 39 39 LYS CE C 13 42.140 0.40 . 1 . . . A 15 LYS CE . 19000 1
160 . 1 1 39 39 LYS N N 15 117.870 0.40 . 1 . . . A 15 LYS N . 19000 1
161 . 1 1 40 40 LYS H H 1 7.686 0.04 . 1 . . . A 16 LYS H . 19000 1
162 . 1 1 40 40 LYS HA H 1 4.219 0.04 . 1 . . . A 16 LYS HA . 19000 1
163 . 1 1 40 40 LYS HB2 H 1 2.002 0.04 . 2 . . . A 16 LYS HB2 . 19000 1
164 . 1 1 40 40 LYS HB3 H 1 1.912 0.04 . 2 . . . A 16 LYS HB3 . 19000 1
165 . 1 1 40 40 LYS HG2 H 1 1.510 0.04 . 2 . . . A 16 LYS HG2 . 19000 1
166 . 1 1 40 40 LYS HG3 H 1 1.405 0.04 . 2 . . . A 16 LYS HG3 . 19000 1
167 . 1 1 40 40 LYS HD2 H 1 1.695 0.04 . 2 . . . A 16 LYS HD2 . 19000 1
168 . 1 1 40 40 LYS HD3 H 1 1.632 0.04 . 2 . . . A 16 LYS HD3 . 19000 1
169 . 1 1 40 40 LYS HE2 H 1 2.803 0.04 . 2 . . . A 16 LYS HE2 . 19000 1
170 . 1 1 40 40 LYS HE3 H 1 2.803 0.04 . 2 . . . A 16 LYS HE3 . 19000 1
171 . 1 1 40 40 LYS C C 13 178.033 0.40 . 1 . . . A 16 LYS C . 19000 1
172 . 1 1 40 40 LYS CA C 13 58.240 0.40 . 1 . . . A 16 LYS CA . 19000 1
173 . 1 1 40 40 LYS CB C 13 31.580 0.40 . 1 . . . A 16 LYS CB . 19000 1
174 . 1 1 40 40 LYS CG C 13 24.660 0.40 . 1 . . . A 16 LYS CG . 19000 1
175 . 1 1 40 40 LYS CD C 13 28.500 0.40 . 1 . . . A 16 LYS CD . 19000 1
176 . 1 1 40 40 LYS CE C 13 42.050 0.40 . 1 . . . A 16 LYS CE . 19000 1
177 . 1 1 40 40 LYS N N 15 119.844 0.40 . 1 . . . A 16 LYS N . 19000 1
178 . 1 1 41 41 ALA H H 1 8.899 0.04 . 1 . . . A 17 ALA H . 19000 1
179 . 1 1 41 41 ALA HA H 1 4.217 0.04 . 1 . . . A 17 ALA HA . 19000 1
180 . 1 1 41 41 ALA HB1 H 1 1.790 0.04 . 1 . . . A 17 ALA HB1 . 19000 1
181 . 1 1 41 41 ALA HB2 H 1 1.790 0.04 . 1 . . . A 17 ALA HB2 . 19000 1
182 . 1 1 41 41 ALA HB3 H 1 1.790 0.04 . 1 . . . A 17 ALA HB3 . 19000 1
183 . 1 1 41 41 ALA C C 13 180.658 0.40 . 1 . . . A 17 ALA C . 19000 1
184 . 1 1 41 41 ALA CA C 13 55.640 0.40 . 1 . . . A 17 ALA CA . 19000 1
185 . 1 1 41 41 ALA CB C 13 19.320 0.40 . 1 . . . A 17 ALA CB . 19000 1
186 . 1 1 41 41 ALA N N 15 122.170 0.40 . 1 . . . A 17 ALA N . 19000 1
187 . 1 1 42 42 LEU H H 1 8.572 0.04 . 1 . . . A 18 LEU H . 19000 1
188 . 1 1 42 42 LEU HA H 1 4.084 0.04 . 1 . . . A 18 LEU HA . 19000 1
189 . 1 1 42 42 LEU HB2 H 1 2.051 0.04 . 2 . . . A 18 LEU HB2 . 19000 1
190 . 1 1 42 42 LEU HB3 H 1 1.372 0.04 . 2 . . . A 18 LEU HB3 . 19000 1
191 . 1 1 42 42 LEU HG H 1 2.165 0.04 . 1 . . . A 18 LEU HG . 19000 1
192 . 1 1 42 42 LEU HD11 H 1 0.819 0.04 . 2 . . . A 18 LEU HD11 . 19000 1
193 . 1 1 42 42 LEU HD12 H 1 0.819 0.04 . 2 . . . A 18 LEU HD12 . 19000 1
194 . 1 1 42 42 LEU HD13 H 1 0.819 0.04 . 2 . . . A 18 LEU HD13 . 19000 1
195 . 1 1 42 42 LEU HD21 H 1 0.775 0.04 . 2 . . . A 18 LEU HD21 . 19000 1
196 . 1 1 42 42 LEU HD22 H 1 0.775 0.04 . 2 . . . A 18 LEU HD22 . 19000 1
197 . 1 1 42 42 LEU HD23 H 1 0.775 0.04 . 2 . . . A 18 LEU HD23 . 19000 1
198 . 1 1 42 42 LEU C C 13 180.429 0.40 . 1 . . . A 18 LEU C . 19000 1
199 . 1 1 42 42 LEU CA C 13 57.930 0.40 . 1 . . . A 18 LEU CA . 19000 1
200 . 1 1 42 42 LEU CB C 13 41.210 0.40 . 1 . . . A 18 LEU CB . 19000 1
201 . 1 1 42 42 LEU CG C 13 26.460 0.40 . 1 . . . A 18 LEU CG . 19000 1
202 . 1 1 42 42 LEU CD1 C 13 25.870 0.40 . 2 . . . A 18 LEU CD1 . 19000 1
203 . 1 1 42 42 LEU CD2 C 13 23.740 0.40 . 2 . . . A 18 LEU CD2 . 19000 1
204 . 1 1 42 42 LEU N N 15 116.351 0.40 . 1 . . . A 18 LEU N . 19000 1
205 . 1 1 43 43 GLU H H 1 7.889 0.04 . 1 . . . A 19 GLU H . 19000 1
206 . 1 1 43 43 GLU HA H 1 4.068 0.04 . 1 . . . A 19 GLU HA . 19000 1
207 . 1 1 43 43 GLU HB2 H 1 2.254 0.04 . 2 . . . A 19 GLU HB2 . 19000 1
208 . 1 1 43 43 GLU HB3 H 1 2.254 0.04 . 2 . . . A 19 GLU HB3 . 19000 1
209 . 1 1 43 43 GLU HG2 H 1 2.437 0.04 . 2 . . . A 19 GLU HG2 . 19000 1
210 . 1 1 43 43 GLU HG3 H 1 2.126 0.04 . 2 . . . A 19 GLU HG3 . 19000 1
211 . 1 1 43 43 GLU C C 13 179.411 0.40 . 1 . . . A 19 GLU C . 19000 1
212 . 1 1 43 43 GLU CA C 13 59.500 0.40 . 1 . . . A 19 GLU CA . 19000 1
213 . 1 1 43 43 GLU CB C 13 29.740 0.40 . 1 . . . A 19 GLU CB . 19000 1
214 . 1 1 43 43 GLU CG C 13 35.920 0.40 . 1 . . . A 19 GLU CG . 19000 1
215 . 1 1 43 43 GLU N N 15 121.497 0.40 . 1 . . . A 19 GLU N . 19000 1
216 . 1 1 44 44 ILE H H 1 8.805 0.04 . 1 . . . A 20 ILE H . 19000 1
217 . 1 1 44 44 ILE HA H 1 3.859 0.04 . 1 . . . A 20 ILE HA . 19000 1
218 . 1 1 44 44 ILE HB H 1 2.028 0.04 . 1 . . . A 20 ILE HB . 19000 1
219 . 1 1 44 44 ILE HG12 H 1 1.528 0.04 . 2 . . . A 20 ILE HG12 . 19000 1
220 . 1 1 44 44 ILE HG13 H 1 1.528 0.04 . 2 . . . A 20 ILE HG13 . 19000 1
221 . 1 1 44 44 ILE HG21 H 1 1.003 0.04 . 1 . . . A 20 ILE HG21 . 19000 1
222 . 1 1 44 44 ILE HG22 H 1 1.003 0.04 . 1 . . . A 20 ILE HG22 . 19000 1
223 . 1 1 44 44 ILE HG23 H 1 1.003 0.04 . 1 . . . A 20 ILE HG23 . 19000 1
224 . 1 1 44 44 ILE HD11 H 1 0.742 0.04 . 1 . . . A 20 ILE HD11 . 19000 1
225 . 1 1 44 44 ILE HD12 H 1 0.742 0.04 . 1 . . . A 20 ILE HD12 . 19000 1
226 . 1 1 44 44 ILE HD13 H 1 0.742 0.04 . 1 . . . A 20 ILE HD13 . 19000 1
227 . 1 1 44 44 ILE C C 13 179.227 0.40 . 1 . . . A 20 ILE C . 19000 1
228 . 1 1 44 44 ILE CA C 13 63.780 0.40 . 1 . . . A 20 ILE CA . 19000 1
229 . 1 1 44 44 ILE CB C 13 37.140 0.40 . 1 . . . A 20 ILE CB . 19000 1
230 . 1 1 44 44 ILE CG1 C 13 28.460 0.40 . 1 . . . A 20 ILE CG1 . 19000 1
231 . 1 1 44 44 ILE CG2 C 13 17.330 0.40 . 1 . . . A 20 ILE CG2 . 19000 1
232 . 1 1 44 44 ILE CD1 C 13 11.070 0.40 . 1 . . . A 20 ILE CD1 . 19000 1
233 . 1 1 44 44 ILE N N 15 120.536 0.40 . 1 . . . A 20 ILE N . 19000 1
234 . 1 1 45 45 GLY H H 1 9.513 0.04 . 1 . . . A 21 GLY H . 19000 1
235 . 1 1 45 45 GLY HA2 H 1 4.112 0.04 . 2 . . . A 21 GLY HA2 . 19000 1
236 . 1 1 45 45 GLY HA3 H 1 3.699 0.04 . 2 . . . A 21 GLY HA3 . 19000 1
237 . 1 1 45 45 GLY C C 13 175.075 0.40 . 1 . . . A 21 GLY C . 19000 1
238 . 1 1 45 45 GLY CA C 13 47.470 0.40 . 1 . . . A 21 GLY CA . 19000 1
239 . 1 1 45 45 GLY N N 15 109.481 0.40 . 1 . . . A 21 GLY N . 19000 1
240 . 1 1 46 46 GLY H H 1 7.967 0.04 . 1 . . . A 22 GLY H . 19000 1
241 . 1 1 46 46 GLY HA2 H 1 3.910 0.04 . 2 . . . A 22 GLY HA2 . 19000 1
242 . 1 1 46 46 GLY HA3 H 1 3.628 0.04 . 2 . . . A 22 GLY HA3 . 19000 1
243 . 1 1 46 46 GLY C C 13 176.462 0.40 . 1 . . . A 22 GLY C . 19000 1
244 . 1 1 46 46 GLY CA C 13 47.070 0.40 . 1 . . . A 22 GLY CA . 19000 1
245 . 1 1 46 46 GLY N N 15 106.770 0.40 . 1 . . . A 22 GLY N . 19000 1
246 . 1 1 47 47 LYS H H 1 7.718 0.04 . 1 . . . A 23 LYS H . 19000 1
247 . 1 1 47 47 LYS HA H 1 4.082 0.04 . 1 . . . A 23 LYS HA . 19000 1
248 . 1 1 47 47 LYS HB2 H 1 1.998 0.04 . 2 . . . A 23 LYS HB2 . 19000 1
249 . 1 1 47 47 LYS HB3 H 1 1.998 0.04 . 2 . . . A 23 LYS HB3 . 19000 1
250 . 1 1 47 47 LYS HG2 H 1 1.603 0.04 . 2 . . . A 23 LYS HG2 . 19000 1
251 . 1 1 47 47 LYS HG3 H 1 1.422 0.04 . 2 . . . A 23 LYS HG3 . 19000 1
252 . 1 1 47 47 LYS HD2 H 1 1.676 0.04 . 2 . . . A 23 LYS HD2 . 19000 1
253 . 1 1 47 47 LYS HD3 H 1 1.676 0.04 . 2 . . . A 23 LYS HD3 . 19000 1
254 . 1 1 47 47 LYS HE2 H 1 2.957 0.04 . 2 . . . A 23 LYS HE2 . 19000 1
255 . 1 1 47 47 LYS HE3 H 1 2.957 0.04 . 2 . . . A 23 LYS HE3 . 19000 1
256 . 1 1 47 47 LYS C C 13 178.928 0.40 . 1 . . . A 23 LYS C . 19000 1
257 . 1 1 47 47 LYS CA C 13 59.680 0.40 . 1 . . . A 23 LYS CA . 19000 1
258 . 1 1 47 47 LYS CB C 13 32.070 0.40 . 1 . . . A 23 LYS CB . 19000 1
259 . 1 1 47 47 LYS CG C 13 25.440 0.40 . 1 . . . A 23 LYS CG . 19000 1
260 . 1 1 47 47 LYS CD C 13 29.670 0.40 . 1 . . . A 23 LYS CD . 19000 1
261 . 1 1 47 47 LYS CE C 13 41.890 0.40 . 1 . . . A 23 LYS CE . 19000 1
262 . 1 1 47 47 LYS N N 15 123.825 0.40 . 1 . . . A 23 LYS N . 19000 1
263 . 1 1 48 48 MET H H 1 8.337 0.04 . 1 . . . A 24 MET H . 19000 1
264 . 1 1 48 48 MET HA H 1 4.030 0.04 . 1 . . . A 24 MET HA . 19000 1
265 . 1 1 48 48 MET HB2 H 1 2.445 0.04 . 2 . . . A 24 MET HB2 . 19000 1
266 . 1 1 48 48 MET HB3 H 1 2.386 0.04 . 2 . . . A 24 MET HB3 . 19000 1
267 . 1 1 48 48 MET HG2 H 1 2.946 0.04 . 2 . . . A 24 MET HG2 . 19000 1
268 . 1 1 48 48 MET HG3 H 1 2.626 0.04 . 2 . . . A 24 MET HG3 . 19000 1
269 . 1 1 48 48 MET HE1 H 1 2.175 0.04 . 1 . . . A 24 MET HE1 . 19000 1
270 . 1 1 48 48 MET HE2 H 1 2.175 0.04 . 1 . . . A 24 MET HE2 . 19000 1
271 . 1 1 48 48 MET HE3 H 1 2.175 0.04 . 1 . . . A 24 MET HE3 . 19000 1
272 . 1 1 48 48 MET C C 13 178.340 0.40 . 1 . . . A 24 MET C . 19000 1
273 . 1 1 48 48 MET CA C 13 59.510 0.40 . 1 . . . A 24 MET CA . 19000 1
274 . 1 1 48 48 MET CB C 13 33.840 0.40 . 1 . . . A 24 MET CB . 19000 1
275 . 1 1 48 48 MET CG C 13 32.140 0.40 . 1 . . . A 24 MET CG . 19000 1
276 . 1 1 48 48 MET CE C 13 16.800 0.40 . 1 . . . A 24 MET CE . 19000 1
277 . 1 1 48 48 MET N N 15 120.113 0.40 . 1 . . . A 24 MET N . 19000 1
278 . 1 1 49 49 ALA H H 1 7.698 0.04 . 1 . . . A 25 ALA H . 19000 1
279 . 1 1 49 49 ALA HA H 1 3.186 0.04 . 1 . . . A 25 ALA HA . 19000 1
280 . 1 1 49 49 ALA HB1 H 1 0.559 0.04 . 1 . . . A 25 ALA HB1 . 19000 1
281 . 1 1 49 49 ALA HB2 H 1 0.559 0.04 . 1 . . . A 25 ALA HB2 . 19000 1
282 . 1 1 49 49 ALA HB3 H 1 0.559 0.04 . 1 . . . A 25 ALA HB3 . 19000 1
283 . 1 1 49 49 ALA C C 13 179.885 0.40 . 1 . . . A 25 ALA C . 19000 1
284 . 1 1 49 49 ALA CA C 13 55.440 0.40 . 1 . . . A 25 ALA CA . 19000 1
285 . 1 1 49 49 ALA CB C 13 16.990 0.40 . 1 . . . A 25 ALA CB . 19000 1
286 . 1 1 49 49 ALA N N 15 120.985 0.40 . 1 . . . A 25 ALA N . 19000 1
287 . 1 1 50 50 LYS H H 1 7.826 0.04 . 1 . . . A 26 LYS H . 19000 1
288 . 1 1 50 50 LYS HA H 1 4.148 0.04 . 1 . . . A 26 LYS HA . 19000 1
289 . 1 1 50 50 LYS HB2 H 1 1.949 0.04 . 2 . . . A 26 LYS HB2 . 19000 1
290 . 1 1 50 50 LYS HB3 H 1 1.910 0.04 . 2 . . . A 26 LYS HB3 . 19000 1
291 . 1 1 50 50 LYS HG2 H 1 1.436 0.04 . 2 . . . A 26 LYS HG2 . 19000 1
292 . 1 1 50 50 LYS HG3 H 1 1.436 0.04 . 2 . . . A 26 LYS HG3 . 19000 1
293 . 1 1 50 50 LYS HD2 H 1 1.620 0.04 . 2 . . . A 26 LYS HD2 . 19000 1
294 . 1 1 50 50 LYS HD3 H 1 1.620 0.04 . 2 . . . A 26 LYS HD3 . 19000 1
295 . 1 1 50 50 LYS HE2 H 1 2.925 0.04 . 2 . . . A 26 LYS HE2 . 19000 1
296 . 1 1 50 50 LYS HE3 H 1 2.925 0.04 . 2 . . . A 26 LYS HE3 . 19000 1
297 . 1 1 50 50 LYS C C 13 181.263 0.40 . 1 . . . A 26 LYS C . 19000 1
298 . 1 1 50 50 LYS CA C 13 58.890 0.40 . 1 . . . A 26 LYS CA . 19000 1
299 . 1 1 50 50 LYS CB C 13 32.060 0.40 . 1 . . . A 26 LYS CB . 19000 1
300 . 1 1 50 50 LYS CG C 13 24.710 0.40 . 1 . . . A 26 LYS CG . 19000 1
301 . 1 1 50 50 LYS CD C 13 28.930 0.40 . 1 . . . A 26 LYS CD . 19000 1
302 . 1 1 50 50 LYS CE C 13 42.340 0.40 . 1 . . . A 26 LYS CE . 19000 1
303 . 1 1 50 50 LYS N N 15 119.895 0.40 . 1 . . . A 26 LYS N . 19000 1
304 . 1 1 51 51 MET H H 1 8.154 0.04 . 1 . . . A 27 MET H . 19000 1
305 . 1 1 51 51 MET HA H 1 4.203 0.04 . 1 . . . A 27 MET HA . 19000 1
306 . 1 1 51 51 MET HB2 H 1 2.268 0.04 . 2 . . . A 27 MET HB2 . 19000 1
307 . 1 1 51 51 MET HB3 H 1 2.220 0.04 . 2 . . . A 27 MET HB3 . 19000 1
308 . 1 1 51 51 MET HG2 H 1 2.775 0.04 . 2 . . . A 27 MET HG2 . 19000 1
309 . 1 1 51 51 MET HG3 H 1 2.674 0.04 . 2 . . . A 27 MET HG3 . 19000 1
310 . 1 1 51 51 MET HE1 H 1 2.095 0.04 . 1 . . . A 27 MET HE1 . 19000 1
311 . 1 1 51 51 MET HE2 H 1 2.095 0.04 . 1 . . . A 27 MET HE2 . 19000 1
312 . 1 1 51 51 MET HE3 H 1 2.095 0.04 . 1 . . . A 27 MET HE3 . 19000 1
313 . 1 1 51 51 MET C C 13 177.708 0.40 . 1 . . . A 27 MET C . 19000 1
314 . 1 1 51 51 MET CA C 13 58.470 0.40 . 1 . . . A 27 MET CA . 19000 1
315 . 1 1 51 51 MET CB C 13 32.330 0.40 . 1 . . . A 27 MET CB . 19000 1
316 . 1 1 51 51 MET CG C 13 32.330 0.40 . 1 . . . A 27 MET CG . 19000 1
317 . 1 1 51 51 MET CE C 13 16.800 0.40 . 1 . . . A 27 MET CE . 19000 1
318 . 1 1 51 51 MET N N 15 119.293 0.40 . 1 . . . A 27 MET N . 19000 1
319 . 1 1 52 52 GLN H H 1 7.419 0.04 . 1 . . . A 28 GLN H . 19000 1
320 . 1 1 52 52 GLN HA H 1 4.390 0.04 . 1 . . . A 28 GLN HA . 19000 1
321 . 1 1 52 52 GLN HB2 H 1 2.599 0.04 . 2 . . . A 28 GLN HB2 . 19000 1
322 . 1 1 52 52 GLN HB3 H 1 2.101 0.04 . 2 . . . A 28 GLN HB3 . 19000 1
323 . 1 1 52 52 GLN HG2 H 1 2.714 0.04 . 2 . . . A 28 GLN HG2 . 19000 1
324 . 1 1 52 52 GLN HG3 H 1 2.534 0.04 . 2 . . . A 28 GLN HG3 . 19000 1
325 . 1 1 52 52 GLN HE21 H 1 7.552 0.04 . 2 . . . A 28 GLN HE21 . 19000 1
326 . 1 1 52 52 GLN HE22 H 1 6.771 0.04 . 2 . . . A 28 GLN HE22 . 19000 1
327 . 1 1 52 52 GLN C C 13 175.364 0.40 . 1 . . . A 28 GLN C . 19000 1
328 . 1 1 52 52 GLN CA C 13 55.610 0.40 . 1 . . . A 28 GLN CA . 19000 1
329 . 1 1 52 52 GLN CB C 13 29.260 0.40 . 1 . . . A 28 GLN CB . 19000 1
330 . 1 1 52 52 GLN CG C 13 34.320 0.40 . 1 . . . A 28 GLN CG . 19000 1
331 . 1 1 52 52 GLN N N 15 116.076 0.40 . 1 . . . A 28 GLN N . 19000 1
332 . 1 1 52 52 GLN NE2 N 15 110.699 0.40 . 1 . . . A 28 GLN NE2 . 19000 1
333 . 1 1 53 53 GLY H H 1 7.737 0.04 . 1 . . . A 29 GLY H . 19000 1
334 . 1 1 53 53 GLY HA2 H 1 3.975 0.04 . 2 . . . A 29 GLY HA2 . 19000 1
335 . 1 1 53 53 GLY HA3 H 1 3.619 0.04 . 2 . . . A 29 GLY HA3 . 19000 1
336 . 1 1 53 53 GLY C C 13 174.021 0.40 . 1 . . . A 29 GLY C . 19000 1
337 . 1 1 53 53 GLY CA C 13 45.490 0.40 . 1 . . . A 29 GLY CA . 19000 1
338 . 1 1 53 53 GLY N N 15 106.674 0.40 . 1 . . . A 29 GLY N . 19000 1
339 . 1 1 54 54 PHE H H 1 8.084 0.04 . 1 . . . A 30 PHE H . 19000 1
340 . 1 1 54 54 PHE HA H 1 4.555 0.04 . 1 . . . A 30 PHE HA . 19000 1
341 . 1 1 54 54 PHE HB2 H 1 2.751 0.04 . 2 . . . A 30 PHE HB2 . 19000 1
342 . 1 1 54 54 PHE HB3 H 1 2.541 0.04 . 2 . . . A 30 PHE HB3 . 19000 1
343 . 1 1 54 54 PHE HD1 H 1 7.149 0.04 . 3 . . . A 30 PHE HD1 . 19000 1
344 . 1 1 54 54 PHE HD2 H 1 7.149 0.04 . 3 . . . A 30 PHE HD2 . 19000 1
345 . 1 1 54 54 PHE HE1 H 1 7.438 0.04 . 3 . . . A 30 PHE HE1 . 19000 1
346 . 1 1 54 54 PHE HE2 H 1 7.438 0.04 . 3 . . . A 30 PHE HE2 . 19000 1
347 . 1 1 54 54 PHE CA C 13 57.080 0.40 . 1 . . . A 30 PHE CA . 19000 1
348 . 1 1 54 54 PHE CB C 13 39.900 0.40 . 1 . . . A 30 PHE CB . 19000 1
349 . 1 1 54 54 PHE CD1 C 13 131.832 0.40 . 3 . . . A 30 PHE CD1 . 19000 1
350 . 1 1 54 54 PHE CE1 C 13 131.576 0.40 . 3 . . . A 30 PHE CE1 . 19000 1
351 . 1 1 54 54 PHE N N 15 120.626 0.40 . 1 . . . A 30 PHE N . 19000 1
352 . 1 1 55 55 ASP HA H 1 4.640 0.04 . 1 . . . A 31 ASP HA . 19000 1
353 . 1 1 55 55 ASP HB2 H 1 2.582 0.04 . 2 . . . A 31 ASP HB2 . 19000 1
354 . 1 1 55 55 ASP HB3 H 1 2.398 0.04 . 2 . . . A 31 ASP HB3 . 19000 1
355 . 1 1 55 55 ASP C C 13 174.873 0.40 . 1 . . . A 31 ASP C . 19000 1
356 . 1 1 55 55 ASP CA C 13 53.150 0.40 . 1 . . . A 31 ASP CA . 19000 1
357 . 1 1 55 55 ASP CB C 13 41.020 0.40 . 1 . . . A 31 ASP CB . 19000 1
358 . 1 1 56 56 LEU H H 1 8.122 0.04 . 1 . . . A 32 LEU H . 19000 1
359 . 1 1 56 56 LEU HA H 1 4.532 0.04 . 1 . . . A 32 LEU HA . 19000 1
360 . 1 1 56 56 LEU HB2 H 1 1.453 0.04 . 2 . . . A 32 LEU HB2 . 19000 1
361 . 1 1 56 56 LEU HB3 H 1 1.261 0.04 . 2 . . . A 32 LEU HB3 . 19000 1
362 . 1 1 56 56 LEU HG H 1 1.476 0.04 . 1 . . . A 32 LEU HG . 19000 1
363 . 1 1 56 56 LEU HD11 H 1 0.552 0.04 . 2 . . . A 32 LEU HD11 . 19000 1
364 . 1 1 56 56 LEU HD12 H 1 0.552 0.04 . 2 . . . A 32 LEU HD12 . 19000 1
365 . 1 1 56 56 LEU HD13 H 1 0.552 0.04 . 2 . . . A 32 LEU HD13 . 19000 1
366 . 1 1 56 56 LEU HD21 H 1 0.696 0.04 . 2 . . . A 32 LEU HD21 . 19000 1
367 . 1 1 56 56 LEU HD22 H 1 0.696 0.04 . 2 . . . A 32 LEU HD22 . 19000 1
368 . 1 1 56 56 LEU HD23 H 1 0.696 0.04 . 2 . . . A 32 LEU HD23 . 19000 1
369 . 1 1 56 56 LEU CA C 13 52.330 0.40 . 1 . . . A 32 LEU CA . 19000 1
370 . 1 1 56 56 LEU CB C 13 40.880 0.40 . 1 . . . A 32 LEU CB . 19000 1
371 . 1 1 56 56 LEU CG C 13 26.760 0.40 . 1 . . . A 32 LEU CG . 19000 1
372 . 1 1 56 56 LEU CD1 C 13 26.460 0.40 . 2 . . . A 32 LEU CD1 . 19000 1
373 . 1 1 56 56 LEU CD2 C 13 22.810 0.40 . 2 . . . A 32 LEU CD2 . 19000 1
374 . 1 1 56 56 LEU N N 15 123.295 0.40 . 1 . . . A 32 LEU N . 19000 1
375 . 1 1 57 57 PRO HD2 H 1 3.750 0.04 . 2 . . . A 33 PRO HD2 . 19000 1
376 . 1 1 57 57 PRO HD3 H 1 3.328 0.04 . 2 . . . A 33 PRO HD3 . 19000 1
377 . 1 1 57 57 PRO CD C 13 50.300 0.40 . 1 . . . A 33 PRO CD . 19000 1
378 . 1 1 58 58 GLN HA H 1 4.089 0.04 . 1 . . . A 34 GLN HA . 19000 1
379 . 1 1 58 58 GLN HB2 H 1 2.200 0.04 . 2 . . . A 34 GLN HB2 . 19000 1
380 . 1 1 58 58 GLN HB3 H 1 1.835 0.04 . 2 . . . A 34 GLN HB3 . 19000 1
381 . 1 1 58 58 GLN HG2 H 1 2.372 0.04 . 2 . . . A 34 GLN HG2 . 19000 1
382 . 1 1 58 58 GLN HG3 H 1 2.341 0.04 . 2 . . . A 34 GLN HG3 . 19000 1
383 . 1 1 58 58 GLN HE21 H 1 7.256 0.04 . 2 . . . A 34 GLN HE21 . 19000 1
384 . 1 1 58 58 GLN HE22 H 1 6.853 0.04 . 2 . . . A 34 GLN HE22 . 19000 1
385 . 1 1 58 58 GLN C C 13 175.224 0.40 . 1 . . . A 34 GLN C . 19000 1
386 . 1 1 58 58 GLN CA C 13 55.610 0.40 . 1 . . . A 34 GLN CA . 19000 1
387 . 1 1 58 58 GLN CB C 13 30.150 0.40 . 1 . . . A 34 GLN CB . 19000 1
388 . 1 1 58 58 GLN CG C 13 34.090 0.40 . 1 . . . A 34 GLN CG . 19000 1
389 . 1 1 58 58 GLN NE2 N 15 113.818 0.40 . 1 . . . A 34 GLN NE2 . 19000 1
390 . 1 1 59 59 SER H H 1 7.546 0.04 . 1 . . . A 35 SER H . 19000 1
391 . 1 1 59 59 SER HA H 1 4.291 0.04 . 1 . . . A 35 SER HA . 19000 1
392 . 1 1 59 59 SER HB2 H 1 3.735 0.04 . 2 . . . A 35 SER HB2 . 19000 1
393 . 1 1 59 59 SER HB3 H 1 3.676 0.04 . 2 . . . A 35 SER HB3 . 19000 1
394 . 1 1 59 59 SER CA C 13 56.170 0.40 . 1 . . . A 35 SER CA . 19000 1
395 . 1 1 59 59 SER CB C 13 63.830 0.40 . 1 . . . A 35 SER CB . 19000 1
396 . 1 1 59 59 SER N N 15 111.628 0.40 . 1 . . . A 35 SER N . 19000 1
397 . 1 1 60 60 PRO HA H 1 4.937 0.04 . 1 . . . A 36 PRO HA . 19000 1
398 . 1 1 60 60 PRO HB2 H 1 2.599 0.04 . 2 . . . A 36 PRO HB2 . 19000 1
399 . 1 1 60 60 PRO HB3 H 1 2.265 0.04 . 2 . . . A 36 PRO HB3 . 19000 1
400 . 1 1 60 60 PRO HG2 H 1 2.098 0.04 . 2 . . . A 36 PRO HG2 . 19000 1
401 . 1 1 60 60 PRO HG3 H 1 1.694 0.04 . 2 . . . A 36 PRO HG3 . 19000 1
402 . 1 1 60 60 PRO HD2 H 1 3.510 0.04 . 2 . . . A 36 PRO HD2 . 19000 1
403 . 1 1 60 60 PRO HD3 H 1 3.510 0.04 . 2 . . . A 36 PRO HD3 . 19000 1
404 . 1 1 60 60 PRO CA C 13 62.600 0.40 . 1 . . . A 36 PRO CA . 19000 1
405 . 1 1 60 60 PRO CB C 13 35.120 0.40 . 1 . . . A 36 PRO CB . 19000 1
406 . 1 1 60 60 PRO CG C 13 25.360 0.40 . 1 . . . A 36 PRO CG . 19000 1
407 . 1 1 60 60 PRO CD C 13 49.880 0.40 . 1 . . . A 36 PRO CD . 19000 1
408 . 1 1 62 62 PRO HA H 1 4.243 0.04 . 1 . . . A 38 PRO HA . 19000 1
409 . 1 1 62 62 PRO HB2 H 1 2.378 0.04 . 2 . . . A 38 PRO HB2 . 19000 1
410 . 1 1 62 62 PRO HB3 H 1 1.810 0.04 . 2 . . . A 38 PRO HB3 . 19000 1
411 . 1 1 62 62 PRO HG2 H 1 2.066 0.04 . 2 . . . A 38 PRO HG2 . 19000 1
412 . 1 1 62 62 PRO HG3 H 1 2.030 0.04 . 2 . . . A 38 PRO HG3 . 19000 1
413 . 1 1 62 62 PRO HD2 H 1 3.860 0.04 . 2 . . . A 38 PRO HD2 . 19000 1
414 . 1 1 62 62 PRO HD3 H 1 3.536 0.04 . 2 . . . A 38 PRO HD3 . 19000 1
415 . 1 1 62 62 PRO C C 13 179.736 0.40 . 1 . . . A 38 PRO C . 19000 1
416 . 1 1 62 62 PRO CA C 13 66.740 0.40 . 1 . . . A 38 PRO CA . 19000 1
417 . 1 1 62 62 PRO CB C 13 31.440 0.40 . 1 . . . A 38 PRO CB . 19000 1
418 . 1 1 62 62 PRO CG C 13 28.990 0.40 . 1 . . . A 38 PRO CG . 19000 1
419 . 1 1 62 62 PRO CD C 13 50.290 0.40 . 1 . . . A 38 PRO CD . 19000 1
420 . 1 1 63 63 VAL H H 1 6.494 0.04 . 1 . . . A 39 VAL H . 19000 1
421 . 1 1 63 63 VAL HA H 1 3.641 0.04 . 1 . . . A 39 VAL HA . 19000 1
422 . 1 1 63 63 VAL HB H 1 1.892 0.04 . 1 . . . A 39 VAL HB . 19000 1
423 . 1 1 63 63 VAL HG11 H 1 0.892 0.04 . 2 . . . A 39 VAL HG11 . 19000 1
424 . 1 1 63 63 VAL HG12 H 1 0.892 0.04 . 2 . . . A 39 VAL HG12 . 19000 1
425 . 1 1 63 63 VAL HG13 H 1 0.892 0.04 . 2 . . . A 39 VAL HG13 . 19000 1
426 . 1 1 63 63 VAL HG21 H 1 0.994 0.04 . 2 . . . A 39 VAL HG21 . 19000 1
427 . 1 1 63 63 VAL HG22 H 1 0.994 0.04 . 2 . . . A 39 VAL HG22 . 19000 1
428 . 1 1 63 63 VAL HG23 H 1 0.994 0.04 . 2 . . . A 39 VAL HG23 . 19000 1
429 . 1 1 63 63 VAL C C 13 177.498 0.40 . 1 . . . A 39 VAL C . 19000 1
430 . 1 1 63 63 VAL CA C 13 65.150 0.40 . 1 . . . A 39 VAL CA . 19000 1
431 . 1 1 63 63 VAL CB C 13 32.160 0.40 . 1 . . . A 39 VAL CB . 19000 1
432 . 1 1 63 63 VAL CG1 C 13 20.680 0.40 . 2 . . . A 39 VAL CG1 . 19000 1
433 . 1 1 63 63 VAL CG2 C 13 22.430 0.40 . 2 . . . A 39 VAL CG2 . 19000 1
434 . 1 1 63 63 VAL N N 15 117.011 0.40 . 1 . . . A 39 VAL N . 19000 1
435 . 1 1 64 64 ARG H H 1 7.654 0.04 . 1 . . . A 40 ARG H . 19000 1
436 . 1 1 64 64 ARG HA H 1 3.872 0.04 . 1 . . . A 40 ARG HA . 19000 1
437 . 1 1 64 64 ARG HB2 H 1 1.891 0.04 . 2 . . . A 40 ARG HB2 . 19000 1
438 . 1 1 64 64 ARG HB3 H 1 1.365 0.04 . 2 . . . A 40 ARG HB3 . 19000 1
439 . 1 1 64 64 ARG HG2 H 1 1.792 0.04 . 2 . . . A 40 ARG HG2 . 19000 1
440 . 1 1 64 64 ARG HG3 H 1 1.373 0.04 . 2 . . . A 40 ARG HG3 . 19000 1
441 . 1 1 64 64 ARG HD2 H 1 3.202 0.04 . 2 . . . A 40 ARG HD2 . 19000 1
442 . 1 1 64 64 ARG HD3 H 1 3.084 0.04 . 2 . . . A 40 ARG HD3 . 19000 1
443 . 1 1 64 64 ARG C C 13 178.059 0.40 . 1 . . . A 40 ARG C . 19000 1
444 . 1 1 64 64 ARG CA C 13 59.570 0.40 . 1 . . . A 40 ARG CA . 19000 1
445 . 1 1 64 64 ARG CB C 13 30.520 0.40 . 1 . . . A 40 ARG CB . 19000 1
446 . 1 1 64 64 ARG CG C 13 27.490 0.40 . 1 . . . A 40 ARG CG . 19000 1
447 . 1 1 64 64 ARG CD C 13 43.680 0.40 . 1 . . . A 40 ARG CD . 19000 1
448 . 1 1 64 64 ARG N N 15 122.921 0.40 . 1 . . . A 40 ARG N . 19000 1
449 . 1 1 65 65 VAL H H 1 8.429 0.04 . 1 . . . A 41 VAL H . 19000 1
450 . 1 1 65 65 VAL HA H 1 3.431 0.04 . 1 . . . A 41 VAL HA . 19000 1
451 . 1 1 65 65 VAL HB H 1 2.006 0.04 . 1 . . . A 41 VAL HB . 19000 1
452 . 1 1 65 65 VAL HG11 H 1 0.808 0.04 . 2 . . . A 41 VAL HG11 . 19000 1
453 . 1 1 65 65 VAL HG12 H 1 0.808 0.04 . 2 . . . A 41 VAL HG12 . 19000 1
454 . 1 1 65 65 VAL HG13 H 1 0.808 0.04 . 2 . . . A 41 VAL HG13 . 19000 1
455 . 1 1 65 65 VAL HG21 H 1 0.977 0.04 . 2 . . . A 41 VAL HG21 . 19000 1
456 . 1 1 65 65 VAL HG22 H 1 0.977 0.04 . 2 . . . A 41 VAL HG22 . 19000 1
457 . 1 1 65 65 VAL HG23 H 1 0.977 0.04 . 2 . . . A 41 VAL HG23 . 19000 1
458 . 1 1 65 65 VAL C C 13 177.076 0.40 . 1 . . . A 41 VAL C . 19000 1
459 . 1 1 65 65 VAL CA C 13 66.240 0.40 . 1 . . . A 41 VAL CA . 19000 1
460 . 1 1 65 65 VAL CB C 13 32.260 0.40 . 1 . . . A 41 VAL CB . 19000 1
461 . 1 1 65 65 VAL CG1 C 13 21.850 0.40 . 2 . . . A 41 VAL CG1 . 19000 1
462 . 1 1 65 65 VAL CG2 C 13 23.490 0.40 . 2 . . . A 41 VAL CG2 . 19000 1
463 . 1 1 65 65 VAL N N 15 117.659 0.40 . 1 . . . A 41 VAL N . 19000 1
464 . 1 1 66 66 LYS H H 1 7.442 0.04 . 1 . . . A 42 LYS H . 19000 1
465 . 1 1 66 66 LYS HA H 1 3.880 0.04 . 1 . . . A 42 LYS HA . 19000 1
466 . 1 1 66 66 LYS HB2 H 1 1.970 0.04 . 2 . . . A 42 LYS HB2 . 19000 1
467 . 1 1 66 66 LYS HB3 H 1 1.810 0.04 . 2 . . . A 42 LYS HB3 . 19000 1
468 . 1 1 66 66 LYS HG2 H 1 1.539 0.04 . 2 . . . A 42 LYS HG2 . 19000 1
469 . 1 1 66 66 LYS HG3 H 1 1.320 0.04 . 2 . . . A 42 LYS HG3 . 19000 1
470 . 1 1 66 66 LYS HD2 H 1 1.659 0.04 . 2 . . . A 42 LYS HD2 . 19000 1
471 . 1 1 66 66 LYS HD3 H 1 1.659 0.04 . 2 . . . A 42 LYS HD3 . 19000 1
472 . 1 1 66 66 LYS HE2 H 1 2.861 0.04 . 2 . . . A 42 LYS HE2 . 19000 1
473 . 1 1 66 66 LYS HE3 H 1 2.803 0.04 . 2 . . . A 42 LYS HE3 . 19000 1
474 . 1 1 66 66 LYS C C 13 177.181 0.40 . 1 . . . A 42 LYS C . 19000 1
475 . 1 1 66 66 LYS CA C 13 60.110 0.40 . 1 . . . A 42 LYS CA . 19000 1
476 . 1 1 66 66 LYS CB C 13 31.860 0.40 . 1 . . . A 42 LYS CB . 19000 1
477 . 1 1 66 66 LYS CG C 13 25.400 0.40 . 1 . . . A 42 LYS CG . 19000 1
478 . 1 1 66 66 LYS CD C 13 29.620 0.40 . 1 . . . A 42 LYS CD . 19000 1
479 . 1 1 66 66 LYS CE C 13 41.850 0.40 . 1 . . . A 42 LYS CE . 19000 1
480 . 1 1 66 66 LYS N N 15 117.870 0.40 . 1 . . . A 42 LYS N . 19000 1
481 . 1 1 67 67 ALA H H 1 8.244 0.04 . 1 . . . A 43 ALA H . 19000 1
482 . 1 1 67 67 ALA HA H 1 4.117 0.04 . 1 . . . A 43 ALA HA . 19000 1
483 . 1 1 67 67 ALA HB1 H 1 1.567 0.04 . 1 . . . A 43 ALA HB1 . 19000 1
484 . 1 1 67 67 ALA HB2 H 1 1.567 0.04 . 1 . . . A 43 ALA HB2 . 19000 1
485 . 1 1 67 67 ALA HB3 H 1 1.567 0.04 . 1 . . . A 43 ALA HB3 . 19000 1
486 . 1 1 67 67 ALA C C 13 180.745 0.40 . 1 . . . A 43 ALA C . 19000 1
487 . 1 1 67 67 ALA CA C 13 55.110 0.40 . 1 . . . A 43 ALA CA . 19000 1
488 . 1 1 67 67 ALA CB C 13 19.260 0.40 . 1 . . . A 43 ALA CB . 19000 1
489 . 1 1 67 67 ALA N N 15 119.434 0.40 . 1 . . . A 43 ALA N . 19000 1
490 . 1 1 68 68 VAL H H 1 8.075 0.04 . 1 . . . A 44 VAL H . 19000 1
491 . 1 1 68 68 VAL HA H 1 3.450 0.04 . 1 . . . A 44 VAL HA . 19000 1
492 . 1 1 68 68 VAL HB H 1 2.027 0.04 . 1 . . . A 44 VAL HB . 19000 1
493 . 1 1 68 68 VAL HG11 H 1 0.821 0.04 . 2 . . . A 44 VAL HG11 . 19000 1
494 . 1 1 68 68 VAL HG12 H 1 0.821 0.04 . 2 . . . A 44 VAL HG12 . 19000 1
495 . 1 1 68 68 VAL HG13 H 1 0.821 0.04 . 2 . . . A 44 VAL HG13 . 19000 1
496 . 1 1 68 68 VAL HG21 H 1 0.973 0.04 . 2 . . . A 44 VAL HG21 . 19000 1
497 . 1 1 68 68 VAL HG22 H 1 0.973 0.04 . 2 . . . A 44 VAL HG22 . 19000 1
498 . 1 1 68 68 VAL HG23 H 1 0.973 0.04 . 2 . . . A 44 VAL HG23 . 19000 1
499 . 1 1 68 68 VAL C C 13 176.874 0.40 . 1 . . . A 44 VAL C . 19000 1
500 . 1 1 68 68 VAL CA C 13 67.180 0.40 . 1 . . . A 44 VAL CA . 19000 1
501 . 1 1 68 68 VAL CB C 13 31.320 0.40 . 1 . . . A 44 VAL CB . 19000 1
502 . 1 1 68 68 VAL CG1 C 13 22.220 0.40 . 2 . . . A 44 VAL CG1 . 19000 1
503 . 1 1 68 68 VAL CG2 C 13 24.100 0.40 . 2 . . . A 44 VAL CG2 . 19000 1
504 . 1 1 68 68 VAL N N 15 118.947 0.40 . 1 . . . A 44 VAL N . 19000 1
505 . 1 1 69 69 TYR H H 1 7.826 0.04 . 1 . . . A 45 TYR H . 19000 1
506 . 1 1 69 69 TYR HA H 1 3.785 0.04 . 1 . . . A 45 TYR HA . 19000 1
507 . 1 1 69 69 TYR HB2 H 1 3.214 0.04 . 2 . . . A 45 TYR HB2 . 19000 1
508 . 1 1 69 69 TYR HB3 H 1 2.837 0.04 . 2 . . . A 45 TYR HB3 . 19000 1
509 . 1 1 69 69 TYR HD1 H 1 6.741 0.04 . 3 . . . A 45 TYR HD1 . 19000 1
510 . 1 1 69 69 TYR HD2 H 1 6.741 0.04 . 3 . . . A 45 TYR HD2 . 19000 1
511 . 1 1 69 69 TYR HE1 H 1 6.499 0.04 . 3 . . . A 45 TYR HE1 . 19000 1
512 . 1 1 69 69 TYR HE2 H 1 6.499 0.04 . 3 . . . A 45 TYR HE2 . 19000 1
513 . 1 1 69 69 TYR C C 13 175.250 0.40 . 1 . . . A 45 TYR C . 19000 1
514 . 1 1 69 69 TYR CA C 13 61.790 0.40 . 1 . . . A 45 TYR CA . 19000 1
515 . 1 1 69 69 TYR CB C 13 38.770 0.40 . 1 . . . A 45 TYR CB . 19000 1
516 . 1 1 69 69 TYR CD1 C 13 132.815 0.40 . 3 . . . A 45 TYR CD1 . 19000 1
517 . 1 1 69 69 TYR CE1 C 13 118.030 0.40 . 3 . . . A 45 TYR CE1 . 19000 1
518 . 1 1 69 69 TYR N N 15 119.902 0.40 . 1 . . . A 45 TYR N . 19000 1
519 . 1 1 70 70 LEU H H 1 8.688 0.04 . 1 . . . A 46 LEU H . 19000 1
520 . 1 1 70 70 LEU HA H 1 3.413 0.04 . 1 . . . A 46 LEU HA . 19000 1
521 . 1 1 70 70 LEU HB2 H 1 1.837 0.04 . 2 . . . A 46 LEU HB2 . 19000 1
522 . 1 1 70 70 LEU HB3 H 1 1.369 0.04 . 2 . . . A 46 LEU HB3 . 19000 1
523 . 1 1 70 70 LEU HG H 1 1.959 0.04 . 1 . . . A 46 LEU HG . 19000 1
524 . 1 1 70 70 LEU HD11 H 1 0.893 0.04 . 2 . . . A 46 LEU HD11 . 19000 1
525 . 1 1 70 70 LEU HD12 H 1 0.893 0.04 . 2 . . . A 46 LEU HD12 . 19000 1
526 . 1 1 70 70 LEU HD13 H 1 0.893 0.04 . 2 . . . A 46 LEU HD13 . 19000 1
527 . 1 1 70 70 LEU HD21 H 1 0.865 0.04 . 2 . . . A 46 LEU HD21 . 19000 1
528 . 1 1 70 70 LEU HD22 H 1 0.865 0.04 . 2 . . . A 46 LEU HD22 . 19000 1
529 . 1 1 70 70 LEU HD23 H 1 0.865 0.04 . 2 . . . A 46 LEU HD23 . 19000 1
530 . 1 1 70 70 LEU C C 13 179.938 0.40 . 1 . . . A 46 LEU C . 19000 1
531 . 1 1 70 70 LEU CA C 13 57.750 0.40 . 1 . . . A 46 LEU CA . 19000 1
532 . 1 1 70 70 LEU CB C 13 41.470 0.40 . 1 . . . A 46 LEU CB . 19000 1
533 . 1 1 70 70 LEU CG C 13 26.940 0.40 . 1 . . . A 46 LEU CG . 19000 1
534 . 1 1 70 70 LEU CD1 C 13 26.050 0.40 . 2 . . . A 46 LEU CD1 . 19000 1
535 . 1 1 70 70 LEU CD2 C 13 22.260 0.40 . 2 . . . A 46 LEU CD2 . 19000 1
536 . 1 1 70 70 LEU N N 15 118.684 0.40 . 1 . . . A 46 LEU N . 19000 1
537 . 1 1 71 71 PHE H H 1 7.775 0.04 . 1 . . . A 47 PHE H . 19000 1
538 . 1 1 71 71 PHE HA H 1 3.939 0.04 . 1 . . . A 47 PHE HA . 19000 1
539 . 1 1 71 71 PHE HB2 H 1 2.993 0.04 . 2 . . . A 47 PHE HB2 . 19000 1
540 . 1 1 71 71 PHE HB3 H 1 2.956 0.04 . 2 . . . A 47 PHE HB3 . 19000 1
541 . 1 1 71 71 PHE HD1 H 1 6.699 0.04 . 3 . . . A 47 PHE HD1 . 19000 1
542 . 1 1 71 71 PHE HD2 H 1 6.699 0.04 . 3 . . . A 47 PHE HD2 . 19000 1
543 . 1 1 71 71 PHE HE1 H 1 7.046 0.04 . 3 . . . A 47 PHE HE1 . 19000 1
544 . 1 1 71 71 PHE HE2 H 1 7.046 0.04 . 3 . . . A 47 PHE HE2 . 19000 1
545 . 1 1 71 71 PHE HZ H 1 6.897 0.04 . 3 . . . A 47 PHE HZ . 19000 1
546 . 1 1 71 71 PHE C C 13 176.242 0.40 . 1 . . . A 47 PHE C . 19000 1
547 . 1 1 71 71 PHE CA C 13 60.560 0.40 . 1 . . . A 47 PHE CA . 19000 1
548 . 1 1 71 71 PHE CB C 13 38.440 0.40 . 1 . . . A 47 PHE CB . 19000 1
549 . 1 1 71 71 PHE CD1 C 13 131.839 0.40 . 3 . . . A 47 PHE CD1 . 19000 1
550 . 1 1 71 71 PHE CE1 C 13 131.521 0.40 . 3 . . . A 47 PHE CE1 . 19000 1
551 . 1 1 71 71 PHE CZ C 13 128.969 0.40 . 1 . . . A 47 PHE CZ . 19000 1
552 . 1 1 71 71 PHE N N 15 120.305 0.40 . 1 . . . A 47 PHE N . 19000 1
553 . 1 1 72 72 LEU H H 1 7.987 0.04 . 1 . . . A 48 LEU H . 19000 1
554 . 1 1 72 72 LEU HA H 1 3.183 0.04 . 1 . . . A 48 LEU HA . 19000 1
555 . 1 1 72 72 LEU HB2 H 1 1.441 0.04 . 2 . . . A 48 LEU HB2 . 19000 1
556 . 1 1 72 72 LEU HB3 H 1 0.381 0.04 . 2 . . . A 48 LEU HB3 . 19000 1
557 . 1 1 72 72 LEU HG H 1 1.595 0.04 . 1 . . . A 48 LEU HG . 19000 1
558 . 1 1 72 72 LEU HD11 H 1 -0.453 0.04 . 2 . . . A 48 LEU HD11 . 19000 1
559 . 1 1 72 72 LEU HD12 H 1 -0.453 0.04 . 2 . . . A 48 LEU HD12 . 19000 1
560 . 1 1 72 72 LEU HD13 H 1 -0.453 0.04 . 2 . . . A 48 LEU HD13 . 19000 1
561 . 1 1 72 72 LEU HD21 H 1 0.201 0.04 . 2 . . . A 48 LEU HD21 . 19000 1
562 . 1 1 72 72 LEU HD22 H 1 0.201 0.04 . 2 . . . A 48 LEU HD22 . 19000 1
563 . 1 1 72 72 LEU HD23 H 1 0.201 0.04 . 2 . . . A 48 LEU HD23 . 19000 1
564 . 1 1 72 72 LEU C C 13 179.639 0.40 . 1 . . . A 48 LEU C . 19000 1
565 . 1 1 72 72 LEU CA C 13 57.160 0.40 . 1 . . . A 48 LEU CA . 19000 1
566 . 1 1 72 72 LEU CB C 13 41.200 0.40 . 1 . . . A 48 LEU CB . 19000 1
567 . 1 1 72 72 LEU CG C 13 25.910 0.40 . 1 . . . A 48 LEU CG . 19000 1
568 . 1 1 72 72 LEU CD1 C 13 25.320 0.40 . 2 . . . A 48 LEU CD1 . 19000 1
569 . 1 1 72 72 LEU CD2 C 13 22.010 0.40 . 2 . . . A 48 LEU CD2 . 19000 1
570 . 1 1 72 72 LEU N N 15 119.959 0.40 . 1 . . . A 48 LEU N . 19000 1
571 . 1 1 73 73 VAL H H 1 7.922 0.04 . 1 . . . A 49 VAL H . 19000 1
572 . 1 1 73 73 VAL HA H 1 3.696 0.04 . 1 . . . A 49 VAL HA . 19000 1
573 . 1 1 73 73 VAL HB H 1 1.663 0.04 . 1 . . . A 49 VAL HB . 19000 1
574 . 1 1 73 73 VAL HG11 H 1 0.708 0.04 . 2 . . . A 49 VAL HG11 . 19000 1
575 . 1 1 73 73 VAL HG12 H 1 0.708 0.04 . 2 . . . A 49 VAL HG12 . 19000 1
576 . 1 1 73 73 VAL HG13 H 1 0.708 0.04 . 2 . . . A 49 VAL HG13 . 19000 1
577 . 1 1 73 73 VAL HG21 H 1 0.128 0.04 . 2 . . . A 49 VAL HG21 . 19000 1
578 . 1 1 73 73 VAL HG22 H 1 0.128 0.04 . 2 . . . A 49 VAL HG22 . 19000 1
579 . 1 1 73 73 VAL HG23 H 1 0.128 0.04 . 2 . . . A 49 VAL HG23 . 19000 1
580 . 1 1 73 73 VAL C C 13 181.018 0.40 . 1 . . . A 49 VAL C . 19000 1
581 . 1 1 73 73 VAL CA C 13 65.440 0.40 . 1 . . . A 49 VAL CA . 19000 1
582 . 1 1 73 73 VAL CB C 13 31.500 0.40 . 1 . . . A 49 VAL CB . 19000 1
583 . 1 1 73 73 VAL CG1 C 13 21.670 0.40 . 2 . . . A 49 VAL CG1 . 19000 1
584 . 1 1 73 73 VAL CG2 C 13 21.970 0.40 . 2 . . . A 49 VAL CG2 . 19000 1
585 . 1 1 73 73 VAL N N 15 121.927 0.40 . 1 . . . A 49 VAL N . 19000 1
586 . 1 1 74 74 ASP H H 1 7.788 0.04 . 1 . . . A 50 ASP H . 19000 1
587 . 1 1 74 74 ASP HA H 1 4.190 0.04 . 1 . . . A 50 ASP HA . 19000 1
588 . 1 1 74 74 ASP HB2 H 1 2.558 0.04 . 2 . . . A 50 ASP HB2 . 19000 1
589 . 1 1 74 74 ASP HB3 H 1 2.448 0.04 . 2 . . . A 50 ASP HB3 . 19000 1
590 . 1 1 74 74 ASP C C 13 177.577 0.40 . 1 . . . A 50 ASP C . 19000 1
591 . 1 1 74 74 ASP CA C 13 57.440 0.40 . 1 . . . A 50 ASP CA . 19000 1
592 . 1 1 74 74 ASP CB C 13 40.250 0.40 . 1 . . . A 50 ASP CB . 19000 1
593 . 1 1 74 74 ASP N N 15 124.825 0.40 . 1 . . . A 50 ASP N . 19000 1
594 . 1 1 75 75 ALA H H 1 7.858 0.04 . 1 . . . A 51 ALA H . 19000 1
595 . 1 1 75 75 ALA HA H 1 4.053 0.04 . 1 . . . A 51 ALA HA . 19000 1
596 . 1 1 75 75 ALA HB1 H 1 0.821 0.04 . 1 . . . A 51 ALA HB1 . 19000 1
597 . 1 1 75 75 ALA HB2 H 1 0.821 0.04 . 1 . . . A 51 ALA HB2 . 19000 1
598 . 1 1 75 75 ALA HB3 H 1 0.821 0.04 . 1 . . . A 51 ALA HB3 . 19000 1
599 . 1 1 75 75 ALA C C 13 176.400 0.40 . 1 . . . A 51 ALA C . 19000 1
600 . 1 1 75 75 ALA CA C 13 51.660 0.40 . 1 . . . A 51 ALA CA . 19000 1
601 . 1 1 75 75 ALA CB C 13 17.930 0.40 . 1 . . . A 51 ALA CB . 19000 1
602 . 1 1 75 75 ALA N N 15 119.113 0.40 . 1 . . . A 51 ALA N . 19000 1
603 . 1 1 76 76 LYS H H 1 7.770 0.04 . 1 . . . A 52 LYS H . 19000 1
604 . 1 1 76 76 LYS HA H 1 3.946 0.04 . 1 . . . A 52 LYS HA . 19000 1
605 . 1 1 76 76 LYS HB2 H 1 2.042 0.04 . 2 . . . A 52 LYS HB2 . 19000 1
606 . 1 1 76 76 LYS HB3 H 1 1.873 0.04 . 2 . . . A 52 LYS HB3 . 19000 1
607 . 1 1 76 76 LYS HG2 H 1 1.297 0.04 . 2 . . . A 52 LYS HG2 . 19000 1
608 . 1 1 76 76 LYS HG3 H 1 1.205 0.04 . 2 . . . A 52 LYS HG3 . 19000 1
609 . 1 1 76 76 LYS HD2 H 1 1.628 0.04 . 2 . . . A 52 LYS HD2 . 19000 1
610 . 1 1 76 76 LYS HD3 H 1 1.534 0.04 . 2 . . . A 52 LYS HD3 . 19000 1
611 . 1 1 76 76 LYS HE2 H 1 2.937 0.04 . 2 . . . A 52 LYS HE2 . 19000 1
612 . 1 1 76 76 LYS HE3 H 1 2.937 0.04 . 2 . . . A 52 LYS HE3 . 19000 1
613 . 1 1 76 76 LYS C C 13 176.225 0.40 . 1 . . . A 52 LYS C . 19000 1
614 . 1 1 76 76 LYS CA C 13 56.980 0.40 . 1 . . . A 52 LYS CA . 19000 1
615 . 1 1 76 76 LYS CB C 13 28.130 0.40 . 1 . . . A 52 LYS CB . 19000 1
616 . 1 1 76 76 LYS CG C 13 24.860 0.40 . 1 . . . A 52 LYS CG . 19000 1
617 . 1 1 76 76 LYS CD C 13 28.580 0.40 . 1 . . . A 52 LYS CD . 19000 1
618 . 1 1 76 76 LYS CE C 13 42.180 0.40 . 1 . . . A 52 LYS CE . 19000 1
619 . 1 1 76 76 LYS N N 15 113.679 0.40 . 1 . . . A 52 LYS N . 19000 1
620 . 1 1 77 77 GLN H H 1 8.171 0.04 . 1 . . . A 53 GLN H . 19000 1
621 . 1 1 77 77 GLN HA H 1 4.097 0.04 . 1 . . . A 53 GLN HA . 19000 1
622 . 1 1 77 77 GLN HB2 H 1 2.139 0.04 . 2 . . . A 53 GLN HB2 . 19000 1
623 . 1 1 77 77 GLN HB3 H 1 1.406 0.04 . 2 . . . A 53 GLN HB3 . 19000 1
624 . 1 1 77 77 GLN HG2 H 1 2.067 0.04 . 2 . . . A 53 GLN HG2 . 19000 1
625 . 1 1 77 77 GLN HG3 H 1 2.027 0.04 . 2 . . . A 53 GLN HG3 . 19000 1
626 . 1 1 77 77 GLN HE21 H 1 7.420 0.04 . 2 . . . A 53 GLN HE21 . 19000 1
627 . 1 1 77 77 GLN HE22 H 1 6.981 0.04 . 2 . . . A 53 GLN HE22 . 19000 1
628 . 1 1 77 77 GLN C C 13 175.400 0.40 . 1 . . . A 53 GLN C . 19000 1
629 . 1 1 77 77 GLN CA C 13 56.290 0.40 . 1 . . . A 53 GLN CA . 19000 1
630 . 1 1 77 77 GLN CB C 13 30.110 0.40 . 1 . . . A 53 GLN CB . 19000 1
631 . 1 1 77 77 GLN CG C 13 33.700 0.40 . 1 . . . A 53 GLN CG . 19000 1
632 . 1 1 77 77 GLN N N 15 114.999 0.40 . 1 . . . A 53 GLN N . 19000 1
633 . 1 1 77 77 GLN NE2 N 15 114.180 0.40 . 1 . . . A 53 GLN NE2 . 19000 1
634 . 1 1 78 78 ILE H H 1 6.595 0.04 . 1 . . . A 54 ILE H . 19000 1
635 . 1 1 78 78 ILE HA H 1 4.236 0.04 . 1 . . . A 54 ILE HA . 19000 1
636 . 1 1 78 78 ILE HB H 1 1.204 0.04 . 1 . . . A 54 ILE HB . 19000 1
637 . 1 1 78 78 ILE HG12 H 1 0.831 0.04 . 2 . . . A 54 ILE HG12 . 19000 1
638 . 1 1 78 78 ILE HG13 H 1 0.435 0.04 . 2 . . . A 54 ILE HG13 . 19000 1
639 . 1 1 78 78 ILE HG21 H 1 0.547 0.04 . 1 . . . A 54 ILE HG21 . 19000 1
640 . 1 1 78 78 ILE HG22 H 1 0.547 0.04 . 1 . . . A 54 ILE HG22 . 19000 1
641 . 1 1 78 78 ILE HG23 H 1 0.547 0.04 . 1 . . . A 54 ILE HG23 . 19000 1
642 . 1 1 78 78 ILE HD11 H 1 0.449 0.04 . 1 . . . A 54 ILE HD11 . 19000 1
643 . 1 1 78 78 ILE HD12 H 1 0.449 0.04 . 1 . . . A 54 ILE HD12 . 19000 1
644 . 1 1 78 78 ILE HD13 H 1 0.449 0.04 . 1 . . . A 54 ILE HD13 . 19000 1
645 . 1 1 78 78 ILE C C 13 173.609 0.40 . 1 . . . A 54 ILE C . 19000 1
646 . 1 1 78 78 ILE CA C 13 58.820 0.40 . 1 . . . A 54 ILE CA . 19000 1
647 . 1 1 78 78 ILE CB C 13 42.140 0.40 . 1 . . . A 54 ILE CB . 19000 1
648 . 1 1 78 78 ILE CG1 C 13 25.970 0.40 . 1 . . . A 54 ILE CG1 . 19000 1
649 . 1 1 78 78 ILE CG2 C 13 17.820 0.40 . 1 . . . A 54 ILE CG2 . 19000 1
650 . 1 1 78 78 ILE CD1 C 13 14.270 0.40 . 1 . . . A 54 ILE CD1 . 19000 1
651 . 1 1 78 78 ILE N N 15 111.878 0.40 . 1 . . . A 54 ILE N . 19000 1
652 . 1 1 79 79 ALA H H 1 8.311 0.04 . 1 . . . A 55 ALA H . 19000 1
653 . 1 1 79 79 ALA HA H 1 4.454 0.04 . 1 . . . A 55 ALA HA . 19000 1
654 . 1 1 79 79 ALA HB1 H 1 1.258 0.04 . 1 . . . A 55 ALA HB1 . 19000 1
655 . 1 1 79 79 ALA HB2 H 1 1.258 0.04 . 1 . . . A 55 ALA HB2 . 19000 1
656 . 1 1 79 79 ALA HB3 H 1 1.258 0.04 . 1 . . . A 55 ALA HB3 . 19000 1
657 . 1 1 79 79 ALA CA C 13 49.690 0.40 . 1 . . . A 55 ALA CA . 19000 1
658 . 1 1 79 79 ALA CB C 13 17.520 0.40 . 1 . . . A 55 ALA CB . 19000 1
659 . 1 1 79 79 ALA N N 15 127.849 0.40 . 1 . . . A 55 ALA N . 19000 1
660 . 1 1 80 80 PRO HA H 1 4.403 0.04 . 1 . . . A 56 PRO HA . 19000 1
661 . 1 1 80 80 PRO HB2 H 1 2.097 0.04 . 2 . . . A 56 PRO HB2 . 19000 1
662 . 1 1 80 80 PRO HB3 H 1 1.846 0.04 . 2 . . . A 56 PRO HB3 . 19000 1
663 . 1 1 80 80 PRO HG2 H 1 1.956 0.04 . 2 . . . A 56 PRO HG2 . 19000 1
664 . 1 1 80 80 PRO HG3 H 1 1.956 0.04 . 2 . . . A 56 PRO HG3 . 19000 1
665 . 1 1 80 80 PRO HD2 H 1 3.643 0.04 . 2 . . . A 56 PRO HD2 . 19000 1
666 . 1 1 80 80 PRO HD3 H 1 3.643 0.04 . 2 . . . A 56 PRO HD3 . 19000 1
667 . 1 1 80 80 PRO C C 13 178.244 0.40 . 1 . . . A 56 PRO C . 19000 1
668 . 1 1 80 80 PRO CA C 13 62.480 0.40 . 1 . . . A 56 PRO CA . 19000 1
669 . 1 1 80 80 PRO CB C 13 31.720 0.40 . 1 . . . A 56 PRO CB . 19000 1
670 . 1 1 80 80 PRO CG C 13 27.140 0.40 . 1 . . . A 56 PRO CG . 19000 1
671 . 1 1 80 80 PRO CD C 13 50.150 0.40 . 1 . . . A 56 PRO CD . 19000 1
672 . 1 1 81 81 LEU H H 1 8.136 0.04 . 1 . . . A 57 LEU H . 19000 1
673 . 1 1 81 81 LEU HA H 1 4.342 0.04 . 1 . . . A 57 LEU HA . 19000 1
674 . 1 1 81 81 LEU HB2 H 1 1.465 0.04 . 2 . . . A 57 LEU HB2 . 19000 1
675 . 1 1 81 81 LEU HB3 H 1 1.238 0.04 . 2 . . . A 57 LEU HB3 . 19000 1
676 . 1 1 81 81 LEU HG H 1 1.570 0.04 . 1 . . . A 57 LEU HG . 19000 1
677 . 1 1 81 81 LEU HD11 H 1 0.632 0.04 . 2 . . . A 57 LEU HD11 . 19000 1
678 . 1 1 81 81 LEU HD12 H 1 0.632 0.04 . 2 . . . A 57 LEU HD12 . 19000 1
679 . 1 1 81 81 LEU HD13 H 1 0.632 0.04 . 2 . . . A 57 LEU HD13 . 19000 1
680 . 1 1 81 81 LEU HD21 H 1 0.904 0.04 . 2 . . . A 57 LEU HD21 . 19000 1
681 . 1 1 81 81 LEU HD22 H 1 0.904 0.04 . 2 . . . A 57 LEU HD22 . 19000 1
682 . 1 1 81 81 LEU HD23 H 1 0.904 0.04 . 2 . . . A 57 LEU HD23 . 19000 1
683 . 1 1 81 81 LEU CA C 13 53.100 0.40 . 1 . . . A 57 LEU CA . 19000 1
684 . 1 1 81 81 LEU CB C 13 41.890 0.40 . 1 . . . A 57 LEU CB . 19000 1
685 . 1 1 81 81 LEU CG C 13 28.060 0.40 . 1 . . . A 57 LEU CG . 19000 1
686 . 1 1 81 81 LEU CD1 C 13 26.080 0.40 . 2 . . . A 57 LEU CD1 . 19000 1
687 . 1 1 81 81 LEU CD2 C 13 23.980 0.40 . 2 . . . A 57 LEU CD2 . 19000 1
688 . 1 1 81 81 LEU N N 15 123.933 0.40 . 1 . . . A 57 LEU N . 19000 1
689 . 1 1 82 82 PRO HA H 1 4.433 0.04 . 1 . . . A 58 PRO HA . 19000 1
690 . 1 1 82 82 PRO HB2 H 1 2.304 0.04 . 2 . . . A 58 PRO HB2 . 19000 1
691 . 1 1 82 82 PRO HB3 H 1 1.800 0.04 . 2 . . . A 58 PRO HB3 . 19000 1
692 . 1 1 82 82 PRO HG2 H 1 1.988 0.04 . 2 . . . A 58 PRO HG2 . 19000 1
693 . 1 1 82 82 PRO HG3 H 1 1.855 0.04 . 2 . . . A 58 PRO HG3 . 19000 1
694 . 1 1 82 82 PRO HD2 H 1 3.782 0.04 . 2 . . . A 58 PRO HD2 . 19000 1
695 . 1 1 82 82 PRO HD3 H 1 3.342 0.04 . 2 . . . A 58 PRO HD3 . 19000 1
696 . 1 1 82 82 PRO C C 13 177.146 0.40 . 1 . . . A 58 PRO C . 19000 1
697 . 1 1 82 82 PRO CA C 13 62.420 0.40 . 1 . . . A 58 PRO CA . 19000 1
698 . 1 1 82 82 PRO CB C 13 32.150 0.40 . 1 . . . A 58 PRO CB . 19000 1
699 . 1 1 82 82 PRO CG C 13 27.520 0.40 . 1 . . . A 58 PRO CG . 19000 1
700 . 1 1 82 82 PRO CD C 13 50.300 0.40 . 1 . . . A 58 PRO CD . 19000 1
701 . 1 1 83 83 ASP H H 1 8.536 0.04 . 1 . . . A 59 ASP H . 19000 1
702 . 1 1 83 83 ASP HA H 1 4.229 0.04 . 1 . . . A 59 ASP HA . 19000 1
703 . 1 1 83 83 ASP HB2 H 1 2.587 0.04 . 2 . . . A 59 ASP HB2 . 19000 1
704 . 1 1 83 83 ASP HB3 H 1 2.587 0.04 . 2 . . . A 59 ASP HB3 . 19000 1
705 . 1 1 83 83 ASP CA C 13 57.250 0.40 . 1 . . . A 59 ASP CA . 19000 1
706 . 1 1 83 83 ASP CB C 13 40.110 0.40 . 1 . . . A 59 ASP CB . 19000 1
707 . 1 1 83 83 ASP N N 15 121.433 0.40 . 1 . . . A 59 ASP N . 19000 1
708 . 1 1 84 84 SER HA H 1 4.202 0.04 . 1 . . . A 60 SER HA . 19000 1
709 . 1 1 84 84 SER HB2 H 1 3.962 0.04 . 2 . . . A 60 SER HB2 . 19000 1
710 . 1 1 84 84 SER HB3 H 1 3.821 0.04 . 2 . . . A 60 SER HB3 . 19000 1
711 . 1 1 84 84 SER C C 13 175.189 0.40 . 1 . . . A 60 SER C . 19000 1
712 . 1 1 84 84 SER CA C 13 59.140 0.40 . 1 . . . A 60 SER CA . 19000 1
713 . 1 1 84 84 SER CB C 13 62.680 0.40 . 1 . . . A 60 SER CB . 19000 1
714 . 1 1 85 85 LYS H H 1 7.872 0.04 . 1 . . . A 61 LYS H . 19000 1
715 . 1 1 85 85 LYS HA H 1 4.512 0.04 . 1 . . . A 61 LYS HA . 19000 1
716 . 1 1 85 85 LYS HB2 H 1 2.054 0.04 . 2 . . . A 61 LYS HB2 . 19000 1
717 . 1 1 85 85 LYS HB3 H 1 1.410 0.04 . 2 . . . A 61 LYS HB3 . 19000 1
718 . 1 1 85 85 LYS HG2 H 1 1.326 0.04 . 2 . . . A 61 LYS HG2 . 19000 1
719 . 1 1 85 85 LYS HG3 H 1 1.206 0.04 . 2 . . . A 61 LYS HG3 . 19000 1
720 . 1 1 85 85 LYS HD2 H 1 1.566 0.04 . 2 . . . A 61 LYS HD2 . 19000 1
721 . 1 1 85 85 LYS HD3 H 1 1.476 0.04 . 2 . . . A 61 LYS HD3 . 19000 1
722 . 1 1 85 85 LYS HE2 H 1 2.894 0.04 . 2 . . . A 61 LYS HE2 . 19000 1
723 . 1 1 85 85 LYS HE3 H 1 2.852 0.04 . 2 . . . A 61 LYS HE3 . 19000 1
724 . 1 1 85 85 LYS C C 13 174.153 0.40 . 1 . . . A 61 LYS C . 19000 1
725 . 1 1 85 85 LYS CA C 13 54.570 0.40 . 1 . . . A 61 LYS CA . 19000 1
726 . 1 1 85 85 LYS CB C 13 33.640 0.40 . 1 . . . A 61 LYS CB . 19000 1
727 . 1 1 85 85 LYS CG C 13 24.710 0.40 . 1 . . . A 61 LYS CG . 19000 1
728 . 1 1 85 85 LYS CD C 13 28.980 0.40 . 1 . . . A 61 LYS CD . 19000 1
729 . 1 1 85 85 LYS CE C 13 42.280 0.40 . 1 . . . A 61 LYS CE . 19000 1
730 . 1 1 85 85 LYS N N 15 121.599 0.40 . 1 . . . A 61 LYS N . 19000 1
731 . 1 1 86 86 LEU H H 1 7.075 0.04 . 1 . . . A 62 LEU H . 19000 1
732 . 1 1 86 86 LEU HA H 1 4.195 0.04 . 1 . . . A 62 LEU HA . 19000 1
733 . 1 1 86 86 LEU HB2 H 1 1.637 0.04 . 2 . . . A 62 LEU HB2 . 19000 1
734 . 1 1 86 86 LEU HB3 H 1 1.468 0.04 . 2 . . . A 62 LEU HB3 . 19000 1
735 . 1 1 86 86 LEU HG H 1 1.540 0.04 . 1 . . . A 62 LEU HG . 19000 1
736 . 1 1 86 86 LEU HD11 H 1 0.833 0.04 . 2 . . . A 62 LEU HD11 . 19000 1
737 . 1 1 86 86 LEU HD12 H 1 0.833 0.04 . 2 . . . A 62 LEU HD12 . 19000 1
738 . 1 1 86 86 LEU HD13 H 1 0.833 0.04 . 2 . . . A 62 LEU HD13 . 19000 1
739 . 1 1 86 86 LEU HD21 H 1 0.739 0.04 . 2 . . . A 62 LEU HD21 . 19000 1
740 . 1 1 86 86 LEU HD22 H 1 0.739 0.04 . 2 . . . A 62 LEU HD22 . 19000 1
741 . 1 1 86 86 LEU HD23 H 1 0.739 0.04 . 2 . . . A 62 LEU HD23 . 19000 1
742 . 1 1 86 86 LEU C C 13 175.233 0.40 . 1 . . . A 62 LEU C . 19000 1
743 . 1 1 86 86 LEU CA C 13 54.070 0.40 . 1 . . . A 62 LEU CA . 19000 1
744 . 1 1 86 86 LEU CB C 13 40.470 0.40 . 1 . . . A 62 LEU CB . 19000 1
745 . 1 1 86 86 LEU CG C 13 26.260 0.40 . 1 . . . A 62 LEU CG . 19000 1
746 . 1 1 86 86 LEU CD1 C 13 25.410 0.40 . 2 . . . A 62 LEU CD1 . 19000 1
747 . 1 1 86 86 LEU CD2 C 13 24.520 0.40 . 2 . . . A 62 LEU CD2 . 19000 1
748 . 1 1 86 86 LEU N N 15 119.895 0.40 . 1 . . . A 62 LEU N . 19000 1
749 . 1 1 87 87 ASP H H 1 7.908 0.04 . 1 . . . A 63 ASP H . 19000 1
750 . 1 1 87 87 ASP HA H 1 4.581 0.04 . 1 . . . A 63 ASP HA . 19000 1
751 . 1 1 87 87 ASP HB2 H 1 2.806 0.04 . 2 . . . A 63 ASP HB2 . 19000 1
752 . 1 1 87 87 ASP HB3 H 1 2.609 0.04 . 2 . . . A 63 ASP HB3 . 19000 1
753 . 1 1 87 87 ASP CA C 13 52.240 0.40 . 1 . . . A 63 ASP CA . 19000 1
754 . 1 1 87 87 ASP CB C 13 42.730 0.40 . 1 . . . A 63 ASP CB . 19000 1
755 . 1 1 87 87 ASP N N 15 121.708 0.40 . 1 . . . A 63 ASP N . 19000 1
756 . 1 1 88 88 GLY HA2 H 1 3.938 0.04 . 2 . . . A 64 GLY HA2 . 19000 1
757 . 1 1 88 88 GLY HA3 H 1 3.532 0.04 . 2 . . . A 64 GLY HA3 . 19000 1
758 . 1 1 88 88 GLY C C 13 175.347 0.40 . 1 . . . A 64 GLY C . 19000 1
759 . 1 1 88 88 GLY CA C 13 48.060 0.40 . 1 . . . A 64 GLY CA . 19000 1
760 . 1 1 89 89 ALA H H 1 8.153 0.04 . 1 . . . A 65 ALA H . 19000 1
761 . 1 1 89 89 ALA HA H 1 4.053 0.04 . 1 . . . A 65 ALA HA . 19000 1
762 . 1 1 89 89 ALA HB1 H 1 1.359 0.04 . 1 . . . A 65 ALA HB1 . 19000 1
763 . 1 1 89 89 ALA HB2 H 1 1.359 0.04 . 1 . . . A 65 ALA HB2 . 19000 1
764 . 1 1 89 89 ALA HB3 H 1 1.359 0.04 . 1 . . . A 65 ALA HB3 . 19000 1
765 . 1 1 89 89 ALA C C 13 180.939 0.40 . 1 . . . A 65 ALA C . 19000 1
766 . 1 1 89 89 ALA CA C 13 55.500 0.40 . 1 . . . A 65 ALA CA . 19000 1
767 . 1 1 89 89 ALA CB C 13 18.220 0.40 . 1 . . . A 65 ALA CB . 19000 1
768 . 1 1 89 89 ALA N N 15 122.874 0.40 . 1 . . . A 65 ALA N . 19000 1
769 . 1 1 90 90 ASN H H 1 8.283 0.04 . 1 . . . A 66 ASN H . 19000 1
770 . 1 1 90 90 ASN HA H 1 4.462 0.04 . 1 . . . A 66 ASN HA . 19000 1
771 . 1 1 90 90 ASN HB2 H 1 3.125 0.04 . 2 . . . A 66 ASN HB2 . 19000 1
772 . 1 1 90 90 ASN HB3 H 1 2.581 0.04 . 2 . . . A 66 ASN HB3 . 19000 1
773 . 1 1 90 90 ASN HD21 H 1 9.091 0.04 . 2 . . . A 66 ASN HD21 . 19000 1
774 . 1 1 90 90 ASN HD22 H 1 7.018 0.04 . 2 . . . A 66 ASN HD22 . 19000 1
775 . 1 1 90 90 ASN C C 13 178.595 0.40 . 1 . . . A 66 ASN C . 19000 1
776 . 1 1 90 90 ASN CA C 13 56.670 0.40 . 1 . . . A 66 ASN CA . 19000 1
777 . 1 1 90 90 ASN CB C 13 39.540 0.40 . 1 . . . A 66 ASN CB . 19000 1
778 . 1 1 90 90 ASN N N 15 118.152 0.40 . 1 . . . A 66 ASN N . 19000 1
779 . 1 1 90 90 ASN ND2 N 15 118.108 0.40 . 1 . . . A 66 ASN ND2 . 19000 1
780 . 1 1 91 91 ILE H H 1 8.275 0.04 . 1 . . . A 67 ILE H . 19000 1
781 . 1 1 91 91 ILE HA H 1 3.124 0.04 . 1 . . . A 67 ILE HA . 19000 1
782 . 1 1 91 91 ILE HB H 1 1.510 0.04 . 1 . . . A 67 ILE HB . 19000 1
783 . 1 1 91 91 ILE HG12 H 1 1.399 0.04 . 2 . . . A 67 ILE HG12 . 19000 1
784 . 1 1 91 91 ILE HG13 H 1 -0.266 0.04 . 2 . . . A 67 ILE HG13 . 19000 1
785 . 1 1 91 91 ILE HG21 H 1 0.481 0.04 . 1 . . . A 67 ILE HG21 . 19000 1
786 . 1 1 91 91 ILE HG22 H 1 0.481 0.04 . 1 . . . A 67 ILE HG22 . 19000 1
787 . 1 1 91 91 ILE HG23 H 1 0.481 0.04 . 1 . . . A 67 ILE HG23 . 19000 1
788 . 1 1 91 91 ILE HD11 H 1 0.345 0.04 . 1 . . . A 67 ILE HD11 . 19000 1
789 . 1 1 91 91 ILE HD12 H 1 0.345 0.04 . 1 . . . A 67 ILE HD12 . 19000 1
790 . 1 1 91 91 ILE HD13 H 1 0.345 0.04 . 1 . . . A 67 ILE HD13 . 19000 1
791 . 1 1 91 91 ILE C C 13 177.612 0.40 . 1 . . . A 67 ILE C . 19000 1
792 . 1 1 91 91 ILE CA C 13 66.410 0.40 . 1 . . . A 67 ILE CA . 19000 1
793 . 1 1 91 91 ILE CB C 13 37.970 0.40 . 1 . . . A 67 ILE CB . 19000 1
794 . 1 1 91 91 ILE CG1 C 13 29.040 0.40 . 1 . . . A 67 ILE CG1 . 19000 1
795 . 1 1 91 91 ILE CG2 C 13 18.880 0.40 . 1 . . . A 67 ILE CG2 . 19000 1
796 . 1 1 91 91 ILE CD1 C 13 13.600 0.40 . 1 . . . A 67 ILE CD1 . 19000 1
797 . 1 1 91 91 ILE N N 15 121.247 0.40 . 1 . . . A 67 ILE N . 19000 1
798 . 1 1 92 92 LYS H H 1 8.213 0.04 . 1 . . . A 68 LYS H . 19000 1
799 . 1 1 92 92 LYS HA H 1 3.656 0.04 . 1 . . . A 68 LYS HA . 19000 1
800 . 1 1 92 92 LYS HB2 H 1 1.922 0.04 . 2 . . . A 68 LYS HB2 . 19000 1
801 . 1 1 92 92 LYS HB3 H 1 1.818 0.04 . 2 . . . A 68 LYS HB3 . 19000 1
802 . 1 1 92 92 LYS HG2 H 1 1.811 0.04 . 2 . . . A 68 LYS HG2 . 19000 1
803 . 1 1 92 92 LYS HG3 H 1 1.230 0.04 . 2 . . . A 68 LYS HG3 . 19000 1
804 . 1 1 92 92 LYS HD2 H 1 1.725 0.04 . 2 . . . A 68 LYS HD2 . 19000 1
805 . 1 1 92 92 LYS HD3 H 1 1.725 0.04 . 2 . . . A 68 LYS HD3 . 19000 1
806 . 1 1 92 92 LYS HE2 H 1 2.823 0.04 . 2 . . . A 68 LYS HE2 . 19000 1
807 . 1 1 92 92 LYS HE3 H 1 2.823 0.04 . 2 . . . A 68 LYS HE3 . 19000 1
808 . 1 1 92 92 LYS C C 13 177.620 0.40 . 1 . . . A 68 LYS C . 19000 1
809 . 1 1 92 92 LYS CA C 13 61.490 0.40 . 1 . . . A 68 LYS CA . 19000 1
810 . 1 1 92 92 LYS CB C 13 32.330 0.40 . 1 . . . A 68 LYS CB . 19000 1
811 . 1 1 92 92 LYS CG C 13 27.620 0.40 . 1 . . . A 68 LYS CG . 19000 1
812 . 1 1 92 92 LYS CD C 13 29.660 0.40 . 1 . . . A 68 LYS CD . 19000 1
813 . 1 1 92 92 LYS CE C 13 41.940 0.40 . 1 . . . A 68 LYS CE . 19000 1
814 . 1 1 92 92 LYS N N 15 118.049 0.40 . 1 . . . A 68 LYS N . 19000 1
815 . 1 1 93 93 HIS H H 1 7.647 0.04 . 1 . . . A 69 HIS H . 19000 1
816 . 1 1 93 93 HIS HA H 1 4.323 0.04 . 1 . . . A 69 HIS HA . 19000 1
817 . 1 1 93 93 HIS HB2 H 1 3.270 0.04 . 2 . . . A 69 HIS HB2 . 19000 1
818 . 1 1 93 93 HIS HB3 H 1 3.221 0.04 . 2 . . . A 69 HIS HB3 . 19000 1
819 . 1 1 93 93 HIS HD2 H 1 7.008 0.04 . 2 . . . A 69 HIS HD2 . 19000 1
820 . 1 1 93 93 HIS C C 13 176.751 0.40 . 1 . . . A 69 HIS C . 19000 1
821 . 1 1 93 93 HIS CA C 13 59.570 0.40 . 1 . . . A 69 HIS CA . 19000 1
822 . 1 1 93 93 HIS CB C 13 29.700 0.40 . 1 . . . A 69 HIS CB . 19000 1
823 . 1 1 93 93 HIS CD2 C 13 121.998 0.40 . 1 . . . A 69 HIS CD2 . 19000 1
824 . 1 1 93 93 HIS N N 15 116.537 0.40 . 1 . . . A 69 HIS N . 19000 1
825 . 1 1 94 94 ARG H H 1 7.866 0.04 . 1 . . . A 70 ARG H . 19000 1
826 . 1 1 94 94 ARG HA H 1 4.064 0.04 . 1 . . . A 70 ARG HA . 19000 1
827 . 1 1 94 94 ARG HB2 H 1 2.107 0.04 . 2 . . . A 70 ARG HB2 . 19000 1
828 . 1 1 94 94 ARG HB3 H 1 2.038 0.04 . 2 . . . A 70 ARG HB3 . 19000 1
829 . 1 1 94 94 ARG HG2 H 1 1.911 0.04 . 2 . . . A 70 ARG HG2 . 19000 1
830 . 1 1 94 94 ARG HG3 H 1 1.678 0.04 . 2 . . . A 70 ARG HG3 . 19000 1
831 . 1 1 94 94 ARG HD2 H 1 3.392 0.04 . 2 . . . A 70 ARG HD2 . 19000 1
832 . 1 1 94 94 ARG HD3 H 1 3.211 0.04 . 2 . . . A 70 ARG HD3 . 19000 1
833 . 1 1 94 94 ARG C C 13 179.701 0.40 . 1 . . . A 70 ARG C . 19000 1
834 . 1 1 94 94 ARG CA C 13 58.210 0.40 . 1 . . . A 70 ARG CA . 19000 1
835 . 1 1 94 94 ARG CB C 13 29.360 0.40 . 1 . . . A 70 ARG CB . 19000 1
836 . 1 1 94 94 ARG CG C 13 27.580 0.40 . 1 . . . A 70 ARG CG . 19000 1
837 . 1 1 94 94 ARG CD C 13 42.480 0.40 . 1 . . . A 70 ARG CD . 19000 1
838 . 1 1 94 94 ARG N N 15 116.723 0.40 . 1 . . . A 70 ARG N . 19000 1
839 . 1 1 95 95 LEU H H 1 8.388 0.04 . 1 . . . A 71 LEU H . 19000 1
840 . 1 1 95 95 LEU HA H 1 4.199 0.04 . 1 . . . A 71 LEU HA . 19000 1
841 . 1 1 95 95 LEU HB2 H 1 2.188 0.04 . 2 . . . A 71 LEU HB2 . 19000 1
842 . 1 1 95 95 LEU HB3 H 1 1.351 0.04 . 2 . . . A 71 LEU HB3 . 19000 1
843 . 1 1 95 95 LEU HG H 1 1.959 0.04 . 1 . . . A 71 LEU HG . 19000 1
844 . 1 1 95 95 LEU HD11 H 1 0.889 0.04 . 2 . . . A 71 LEU HD11 . 19000 1
845 . 1 1 95 95 LEU HD12 H 1 0.889 0.04 . 2 . . . A 71 LEU HD12 . 19000 1
846 . 1 1 95 95 LEU HD13 H 1 0.889 0.04 . 2 . . . A 71 LEU HD13 . 19000 1
847 . 1 1 95 95 LEU HD21 H 1 0.707 0.04 . 2 . . . A 71 LEU HD21 . 19000 1
848 . 1 1 95 95 LEU HD22 H 1 0.707 0.04 . 2 . . . A 71 LEU HD22 . 19000 1
849 . 1 1 95 95 LEU HD23 H 1 0.707 0.04 . 2 . . . A 71 LEU HD23 . 19000 1
850 . 1 1 95 95 LEU C C 13 178.226 0.40 . 1 . . . A 71 LEU C . 19000 1
851 . 1 1 95 95 LEU CA C 13 58.170 0.40 . 1 . . . A 71 LEU CA . 19000 1
852 . 1 1 95 95 LEU CB C 13 41.910 0.40 . 1 . . . A 71 LEU CB . 19000 1
853 . 1 1 95 95 LEU CG C 13 27.000 0.40 . 1 . . . A 71 LEU CG . 19000 1
854 . 1 1 95 95 LEU CD1 C 13 27.000 0.40 . 2 . . . A 71 LEU CD1 . 19000 1
855 . 1 1 95 95 LEU CD2 C 13 23.440 0.40 . 2 . . . A 71 LEU CD2 . 19000 1
856 . 1 1 95 95 LEU N N 15 119.613 0.40 . 1 . . . A 71 LEU N . 19000 1
857 . 1 1 96 96 ALA H H 1 8.411 0.04 . 1 . . . A 72 ALA H . 19000 1
858 . 1 1 96 96 ALA HA H 1 3.918 0.04 . 1 . . . A 72 ALA HA . 19000 1
859 . 1 1 96 96 ALA HB1 H 1 1.488 0.04 . 1 . . . A 72 ALA HB1 . 19000 1
860 . 1 1 96 96 ALA HB2 H 1 1.488 0.04 . 1 . . . A 72 ALA HB2 . 19000 1
861 . 1 1 96 96 ALA HB3 H 1 1.488 0.04 . 1 . . . A 72 ALA HB3 . 19000 1
862 . 1 1 96 96 ALA C C 13 179.113 0.40 . 1 . . . A 72 ALA C . 19000 1
863 . 1 1 96 96 ALA CA C 13 55.500 0.40 . 1 . . . A 72 ALA CA . 19000 1
864 . 1 1 96 96 ALA CB C 13 18.900 0.40 . 1 . . . A 72 ALA CB . 19000 1
865 . 1 1 96 96 ALA N N 15 121.292 0.40 . 1 . . . A 72 ALA N . 19000 1
866 . 1 1 97 97 LEU H H 1 8.106 0.04 . 1 . . . A 73 LEU H . 19000 1
867 . 1 1 97 97 LEU HA H 1 3.918 0.04 . 1 . . . A 73 LEU HA . 19000 1
868 . 1 1 97 97 LEU HB2 H 1 1.748 0.04 . 2 . . . A 73 LEU HB2 . 19000 1
869 . 1 1 97 97 LEU HB3 H 1 1.494 0.04 . 2 . . . A 73 LEU HB3 . 19000 1
870 . 1 1 97 97 LEU HG H 1 1.396 0.04 . 1 . . . A 73 LEU HG . 19000 1
871 . 1 1 97 97 LEU HD11 H 1 0.717 0.04 . 2 . . . A 73 LEU HD11 . 19000 1
872 . 1 1 97 97 LEU HD12 H 1 0.717 0.04 . 2 . . . A 73 LEU HD12 . 19000 1
873 . 1 1 97 97 LEU HD13 H 1 0.717 0.04 . 2 . . . A 73 LEU HD13 . 19000 1
874 . 1 1 97 97 LEU HD21 H 1 0.755 0.04 . 2 . . . A 73 LEU HD21 . 19000 1
875 . 1 1 97 97 LEU HD22 H 1 0.755 0.04 . 2 . . . A 73 LEU HD22 . 19000 1
876 . 1 1 97 97 LEU HD23 H 1 0.755 0.04 . 2 . . . A 73 LEU HD23 . 19000 1
877 . 1 1 97 97 LEU C C 13 179.710 0.40 . 1 . . . A 73 LEU C . 19000 1
878 . 1 1 97 97 LEU CA C 13 57.870 0.40 . 1 . . . A 73 LEU CA . 19000 1
879 . 1 1 97 97 LEU CB C 13 42.720 0.40 . 1 . . . A 73 LEU CB . 19000 1
880 . 1 1 97 97 LEU CG C 13 26.550 0.40 . 1 . . . A 73 LEU CG . 19000 1
881 . 1 1 97 97 LEU CD1 C 13 25.790 0.40 . 2 . . . A 73 LEU CD1 . 19000 1
882 . 1 1 97 97 LEU CD2 C 13 23.450 0.40 . 2 . . . A 73 LEU CD2 . 19000 1
883 . 1 1 97 97 LEU N N 15 117.024 0.40 . 1 . . . A 73 LEU N . 19000 1
884 . 1 1 98 98 TRP H H 1 7.947 0.04 . 1 . . . A 74 TRP H . 19000 1
885 . 1 1 98 98 TRP HA H 1 4.360 0.04 . 1 . . . A 74 TRP HA . 19000 1
886 . 1 1 98 98 TRP HB2 H 1 3.744 0.04 . 2 . . . A 74 TRP HB2 . 19000 1
887 . 1 1 98 98 TRP HB3 H 1 3.219 0.04 . 2 . . . A 74 TRP HB3 . 19000 1
888 . 1 1 98 98 TRP HD1 H 1 7.202 0.04 . 1 . . . A 74 TRP HD1 . 19000 1
889 . 1 1 98 98 TRP HE1 H 1 10.218 0.04 . 1 . . . A 74 TRP HE1 . 19000 1
890 . 1 1 98 98 TRP HZ2 H 1 7.160 0.04 . 1 . . . A 74 TRP HZ2 . 19000 1
891 . 1 1 98 98 TRP HZ3 H 1 7.151 0.04 . 1 . . . A 74 TRP HZ3 . 19000 1
892 . 1 1 98 98 TRP HH2 H 1 6.865 0.04 . 1 . . . A 74 TRP HH2 . 19000 1
893 . 1 1 98 98 TRP C C 13 177.989 0.40 . 1 . . . A 74 TRP C . 19000 1
894 . 1 1 98 98 TRP CA C 13 60.570 0.40 . 1 . . . A 74 TRP CA . 19000 1
895 . 1 1 98 98 TRP CB C 13 27.690 0.40 . 1 . . . A 74 TRP CB . 19000 1
896 . 1 1 98 98 TRP CD1 C 13 127.437 0.40 . 1 . . . A 74 TRP CD1 . 19000 1
897 . 1 1 98 98 TRP CZ2 C 13 114.227 0.40 . 1 . . . A 74 TRP CZ2 . 19000 1
898 . 1 1 98 98 TRP CZ3 C 13 121.602 0.40 . 1 . . . A 74 TRP CZ3 . 19000 1
899 . 1 1 98 98 TRP CH2 C 13 123.707 0.40 . 1 . . . A 74 TRP CH2 . 19000 1
900 . 1 1 98 98 TRP N N 15 121.106 0.40 . 1 . . . A 74 TRP N . 19000 1
901 . 1 1 98 98 TRP NE1 N 15 130.157 0.40 . 1 . . . A 74 TRP NE1 . 19000 1
902 . 1 1 99 99 ILE H H 1 7.945 0.04 . 1 . . . A 75 ILE H . 19000 1
903 . 1 1 99 99 ILE HA H 1 3.415 0.04 . 1 . . . A 75 ILE HA . 19000 1
904 . 1 1 99 99 ILE HB H 1 1.737 0.04 . 1 . . . A 75 ILE HB . 19000 1
905 . 1 1 99 99 ILE HG12 H 1 1.157 0.04 . 2 . . . A 75 ILE HG12 . 19000 1
906 . 1 1 99 99 ILE HG13 H 1 1.123 0.04 . 2 . . . A 75 ILE HG13 . 19000 1
907 . 1 1 99 99 ILE HG21 H 1 1.154 0.04 . 1 . . . A 75 ILE HG21 . 19000 1
908 . 1 1 99 99 ILE HG22 H 1 1.154 0.04 . 1 . . . A 75 ILE HG22 . 19000 1
909 . 1 1 99 99 ILE HG23 H 1 1.154 0.04 . 1 . . . A 75 ILE HG23 . 19000 1
910 . 1 1 99 99 ILE HD11 H 1 0.303 0.04 . 1 . . . A 75 ILE HD11 . 19000 1
911 . 1 1 99 99 ILE HD12 H 1 0.303 0.04 . 1 . . . A 75 ILE HD12 . 19000 1
912 . 1 1 99 99 ILE HD13 H 1 0.303 0.04 . 1 . . . A 75 ILE HD13 . 19000 1
913 . 1 1 99 99 ILE C C 13 176.839 0.40 . 1 . . . A 75 ILE C . 19000 1
914 . 1 1 99 99 ILE CA C 13 59.300 0.40 . 1 . . . A 75 ILE CA . 19000 1
915 . 1 1 99 99 ILE CB C 13 37.250 0.40 . 1 . . . A 75 ILE CB . 19000 1
916 . 1 1 99 99 ILE CG1 C 13 29.080 0.40 . 1 . . . A 75 ILE CG1 . 19000 1
917 . 1 1 99 99 ILE CG2 C 13 20.240 0.40 . 1 . . . A 75 ILE CG2 . 19000 1
918 . 1 1 99 99 ILE CD1 C 13 12.230 0.40 . 1 . . . A 75 ILE CD1 . 19000 1
919 . 1 1 99 99 ILE N N 15 117.678 0.40 . 1 . . . A 75 ILE N . 19000 1
920 . 1 1 100 100 HIS H H 1 8.422 0.04 . 1 . . . A 76 HIS H . 19000 1
921 . 1 1 100 100 HIS HA H 1 3.737 0.04 . 1 . . . A 76 HIS HA . 19000 1
922 . 1 1 100 100 HIS HB2 H 1 3.285 0.04 . 2 . . . A 76 HIS HB2 . 19000 1
923 . 1 1 100 100 HIS HB3 H 1 3.029 0.04 . 2 . . . A 76 HIS HB3 . 19000 1
924 . 1 1 100 100 HIS HD2 H 1 7.080 0.04 . 2 . . . A 76 HIS HD2 . 19000 1
925 . 1 1 100 100 HIS HE1 H 1 7.802 0.04 . 1 . . . A 76 HIS HE1 . 19000 1
926 . 1 1 100 100 HIS C C 13 178.042 0.40 . 1 . . . A 76 HIS C . 19000 1
927 . 1 1 100 100 HIS CA C 13 61.490 0.40 . 1 . . . A 76 HIS CA . 19000 1
928 . 1 1 100 100 HIS CB C 13 31.860 0.40 . 1 . . . A 76 HIS CB . 19000 1
929 . 1 1 100 100 HIS CD2 C 13 118.030 0.40 . 1 . . . A 76 HIS CD2 . 19000 1
930 . 1 1 100 100 HIS CE1 C 13 137.900 0.40 . 1 . . . A 76 HIS CE1 . 19000 1
931 . 1 1 100 100 HIS N N 15 122.324 0.40 . 1 . . . A 76 HIS N . 19000 1
932 . 1 1 101 101 ALA H H 1 7.552 0.04 . 1 . . . A 77 ALA H . 19000 1
933 . 1 1 101 101 ALA HA H 1 3.961 0.04 . 1 . . . A 77 ALA HA . 19000 1
934 . 1 1 101 101 ALA HB1 H 1 1.466 0.04 . 1 . . . A 77 ALA HB1 . 19000 1
935 . 1 1 101 101 ALA HB2 H 1 1.466 0.04 . 1 . . . A 77 ALA HB2 . 19000 1
936 . 1 1 101 101 ALA HB3 H 1 1.466 0.04 . 1 . . . A 77 ALA HB3 . 19000 1
937 . 1 1 101 101 ALA C C 13 177.893 0.40 . 1 . . . A 77 ALA C . 19000 1
938 . 1 1 101 101 ALA CA C 13 53.810 0.40 . 1 . . . A 77 ALA CA . 19000 1
939 . 1 1 101 101 ALA CB C 13 18.620 0.40 . 1 . . . A 77 ALA CB . 19000 1
940 . 1 1 101 101 ALA N N 15 118.024 0.40 . 1 . . . A 77 ALA N . 19000 1
941 . 1 1 102 102 ALA H H 1 7.040 0.04 . 1 . . . A 78 ALA H . 19000 1
942 . 1 1 102 102 ALA HA H 1 4.107 0.04 . 1 . . . A 78 ALA HA . 19000 1
943 . 1 1 102 102 ALA HB1 H 1 1.018 0.04 . 1 . . . A 78 ALA HB1 . 19000 1
944 . 1 1 102 102 ALA HB2 H 1 1.018 0.04 . 1 . . . A 78 ALA HB2 . 19000 1
945 . 1 1 102 102 ALA HB3 H 1 1.018 0.04 . 1 . . . A 78 ALA HB3 . 19000 1
946 . 1 1 102 102 ALA C C 13 178.165 0.40 . 1 . . . A 78 ALA C . 19000 1
947 . 1 1 102 102 ALA CA C 13 51.990 0.40 . 1 . . . A 78 ALA CA . 19000 1
948 . 1 1 102 102 ALA CB C 13 19.180 0.40 . 1 . . . A 78 ALA CB . 19000 1
949 . 1 1 102 102 ALA N N 15 118.242 0.40 . 1 . . . A 78 ALA N . 19000 1
950 . 1 1 103 103 LEU H H 1 7.160 0.04 . 1 . . . A 79 LEU H . 19000 1
951 . 1 1 103 103 LEU HA H 1 4.254 0.04 . 1 . . . A 79 LEU HA . 19000 1
952 . 1 1 103 103 LEU HB2 H 1 1.444 0.04 . 2 . . . A 79 LEU HB2 . 19000 1
953 . 1 1 103 103 LEU HB3 H 1 1.148 0.04 . 2 . . . A 79 LEU HB3 . 19000 1
954 . 1 1 103 103 LEU HG H 1 1.953 0.04 . 1 . . . A 79 LEU HG . 19000 1
955 . 1 1 103 103 LEU HD11 H 1 0.618 0.04 . 2 . . . A 79 LEU HD11 . 19000 1
956 . 1 1 103 103 LEU HD12 H 1 0.618 0.04 . 2 . . . A 79 LEU HD12 . 19000 1
957 . 1 1 103 103 LEU HD13 H 1 0.618 0.04 . 2 . . . A 79 LEU HD13 . 19000 1
958 . 1 1 103 103 LEU HD21 H 1 0.649 0.04 . 2 . . . A 79 LEU HD21 . 19000 1
959 . 1 1 103 103 LEU HD22 H 1 0.649 0.04 . 2 . . . A 79 LEU HD22 . 19000 1
960 . 1 1 103 103 LEU HD23 H 1 0.649 0.04 . 2 . . . A 79 LEU HD23 . 19000 1
961 . 1 1 103 103 LEU CA C 13 53.130 0.40 . 1 . . . A 79 LEU CA . 19000 1
962 . 1 1 103 103 LEU CB C 13 41.410 0.40 . 1 . . . A 79 LEU CB . 19000 1
963 . 1 1 103 103 LEU CG C 13 25.100 0.40 . 1 . . . A 79 LEU CG . 19000 1
964 . 1 1 103 103 LEU CD1 C 13 25.820 0.40 . 2 . . . A 79 LEU CD1 . 19000 1
965 . 1 1 103 103 LEU CD2 C 13 21.950 0.40 . 2 . . . A 79 LEU CD2 . 19000 1
966 . 1 1 103 103 LEU N N 15 119.780 0.40 . 1 . . . A 79 LEU N . 19000 1
967 . 1 1 104 104 PRO HA H 1 4.413 0.04 . 1 . . . A 80 PRO HA . 19000 1
968 . 1 1 104 104 PRO HB2 H 1 1.932 0.04 . 2 . . . A 80 PRO HB2 . 19000 1
969 . 1 1 104 104 PRO HB3 H 1 1.932 0.04 . 2 . . . A 80 PRO HB3 . 19000 1
970 . 1 1 104 104 PRO HG2 H 1 2.003 0.04 . 2 . . . A 80 PRO HG2 . 19000 1
971 . 1 1 104 104 PRO HG3 H 1 2.003 0.04 . 2 . . . A 80 PRO HG3 . 19000 1
972 . 1 1 104 104 PRO HD2 H 1 3.752 0.04 . 2 . . . A 80 PRO HD2 . 19000 1
973 . 1 1 104 104 PRO HD3 H 1 3.558 0.04 . 2 . . . A 80 PRO HD3 . 19000 1
974 . 1 1 104 104 PRO C C 13 176.769 0.40 . 1 . . . A 80 PRO C . 19000 1
975 . 1 1 104 104 PRO CA C 13 62.450 0.40 . 1 . . . A 80 PRO CA . 19000 1
976 . 1 1 104 104 PRO CB C 13 32.310 0.40 . 1 . . . A 80 PRO CB . 19000 1
977 . 1 1 104 104 PRO CG C 13 27.300 0.40 . 1 . . . A 80 PRO CG . 19000 1
978 . 1 1 104 104 PRO CD C 13 50.300 0.40 . 1 . . . A 80 PRO CD . 19000 1
979 . 1 1 105 105 ASP H H 1 8.403 0.04 . 1 . . . A 81 ASP H . 19000 1
980 . 1 1 105 105 ASP HA H 1 4.162 0.04 . 1 . . . A 81 ASP HA . 19000 1
981 . 1 1 105 105 ASP HB2 H 1 2.555 0.04 . 2 . . . A 81 ASP HB2 . 19000 1
982 . 1 1 105 105 ASP HB3 H 1 2.462 0.04 . 2 . . . A 81 ASP HB3 . 19000 1
983 . 1 1 105 105 ASP CA C 13 56.610 0.40 . 1 . . . A 81 ASP CA . 19000 1
984 . 1 1 105 105 ASP CB C 13 40.460 0.40 . 1 . . . A 81 ASP CB . 19000 1
985 . 1 1 105 105 ASP N N 15 119.094 0.40 . 1 . . . A 81 ASP N . 19000 1
986 . 1 1 107 107 ASP HA H 1 4.584 0.04 . 1 . . . A 83 ASP HA . 19000 1
987 . 1 1 107 107 ASP HB2 H 1 2.731 0.04 . 2 . . . A 83 ASP HB2 . 19000 1
988 . 1 1 107 107 ASP HB3 H 1 2.653 0.04 . 2 . . . A 83 ASP HB3 . 19000 1
989 . 1 1 107 107 ASP CA C 13 53.400 0.40 . 1 . . . A 83 ASP CA . 19000 1
990 . 1 1 107 107 ASP CB C 13 38.730 0.40 . 1 . . . A 83 ASP CB . 19000 1
991 . 1 1 108 108 PRO HA H 1 4.365 0.04 . 1 . . . A 84 PRO HA . 19000 1
992 . 1 1 108 108 PRO HB2 H 1 2.339 0.04 . 2 . . . A 84 PRO HB2 . 19000 1
993 . 1 1 108 108 PRO HB3 H 1 1.843 0.04 . 2 . . . A 84 PRO HB3 . 19000 1
994 . 1 1 108 108 PRO HG2 H 1 1.956 0.04 . 2 . . . A 84 PRO HG2 . 19000 1
995 . 1 1 108 108 PRO HG3 H 1 1.956 0.04 . 2 . . . A 84 PRO HG3 . 19000 1
996 . 1 1 108 108 PRO HD2 H 1 3.781 0.04 . 2 . . . A 84 PRO HD2 . 19000 1
997 . 1 1 108 108 PRO HD3 H 1 3.652 0.04 . 2 . . . A 84 PRO HD3 . 19000 1
998 . 1 1 108 108 PRO C C 13 177.462 0.40 . 1 . . . A 84 PRO C . 19000 1
999 . 1 1 108 108 PRO CA C 13 64.600 0.40 . 1 . . . A 84 PRO CA . 19000 1
1000 . 1 1 108 108 PRO CB C 13 32.600 0.40 . 1 . . . A 84 PRO CB . 19000 1
1001 . 1 1 108 108 PRO CG C 13 27.330 0.40 . 1 . . . A 84 PRO CG . 19000 1
1002 . 1 1 108 108 PRO CD C 13 51.070 0.40 . 1 . . . A 84 PRO CD . 19000 1
1003 . 1 1 109 109 LEU H H 1 9.312 0.04 . 1 . . . A 85 LEU H . 19000 1
1004 . 1 1 109 109 LEU HA H 1 4.320 0.04 . 1 . . . A 85 LEU HA . 19000 1
1005 . 1 1 109 109 LEU HB2 H 1 1.695 0.04 . 2 . . . A 85 LEU HB2 . 19000 1
1006 . 1 1 109 109 LEU HB3 H 1 1.520 0.04 . 2 . . . A 85 LEU HB3 . 19000 1
1007 . 1 1 109 109 LEU HG H 1 1.620 0.04 . 1 . . . A 85 LEU HG . 19000 1
1008 . 1 1 109 109 LEU HD11 H 1 0.783 0.04 . 2 . . . A 85 LEU HD11 . 19000 1
1009 . 1 1 109 109 LEU HD12 H 1 0.783 0.04 . 2 . . . A 85 LEU HD12 . 19000 1
1010 . 1 1 109 109 LEU HD13 H 1 0.783 0.04 . 2 . . . A 85 LEU HD13 . 19000 1
1011 . 1 1 109 109 LEU HD21 H 1 0.756 0.04 . 2 . . . A 85 LEU HD21 . 19000 1
1012 . 1 1 109 109 LEU HD22 H 1 0.756 0.04 . 2 . . . A 85 LEU HD22 . 19000 1
1013 . 1 1 109 109 LEU HD23 H 1 0.756 0.04 . 2 . . . A 85 LEU HD23 . 19000 1
1014 . 1 1 109 109 LEU C C 13 176.655 0.40 . 1 . . . A 85 LEU C . 19000 1
1015 . 1 1 109 109 LEU CA C 13 54.450 0.40 . 1 . . . A 85 LEU CA . 19000 1
1016 . 1 1 109 109 LEU CB C 13 41.730 0.40 . 1 . . . A 85 LEU CB . 19000 1
1017 . 1 1 109 109 LEU CG C 13 26.990 0.40 . 1 . . . A 85 LEU CG . 19000 1
1018 . 1 1 109 109 LEU CD1 C 13 25.580 0.40 . 2 . . . A 85 LEU CD1 . 19000 1
1019 . 1 1 109 109 LEU CD2 C 13 22.860 0.40 . 2 . . . A 85 LEU CD2 . 19000 1
1020 . 1 1 109 109 LEU N N 15 118.299 0.40 . 1 . . . A 85 LEU N . 19000 1
1021 . 1 1 110 110 LYS H H 1 7.664 0.04 . 1 . . . A 86 LYS H . 19000 1
1022 . 1 1 110 110 LYS HA H 1 3.858 0.04 . 1 . . . A 86 LYS HA . 19000 1
1023 . 1 1 110 110 LYS HB2 H 1 1.938 0.04 . 2 . . . A 86 LYS HB2 . 19000 1
1024 . 1 1 110 110 LYS HB3 H 1 1.495 0.04 . 2 . . . A 86 LYS HB3 . 19000 1
1025 . 1 1 110 110 LYS HG2 H 1 1.316 0.04 . 2 . . . A 86 LYS HG2 . 19000 1
1026 . 1 1 110 110 LYS HG3 H 1 1.316 0.04 . 2 . . . A 86 LYS HG3 . 19000 1
1027 . 1 1 110 110 LYS HD2 H 1 1.292 0.04 . 2 . . . A 86 LYS HD2 . 19000 1
1028 . 1 1 110 110 LYS HD3 H 1 1.130 0.04 . 2 . . . A 86 LYS HD3 . 19000 1
1029 . 1 1 110 110 LYS HE2 H 1 2.745 0.04 . 2 . . . A 86 LYS HE2 . 19000 1
1030 . 1 1 110 110 LYS HE3 H 1 2.610 0.04 . 2 . . . A 86 LYS HE3 . 19000 1
1031 . 1 1 110 110 LYS CA C 13 57.920 0.40 . 1 . . . A 86 LYS CA . 19000 1
1032 . 1 1 110 110 LYS CB C 13 33.640 0.40 . 1 . . . A 86 LYS CB . 19000 1
1033 . 1 1 110 110 LYS CG C 13 25.400 0.40 . 1 . . . A 86 LYS CG . 19000 1
1034 . 1 1 110 110 LYS CD C 13 29.370 0.40 . 1 . . . A 86 LYS CD . 19000 1
1035 . 1 1 110 110 LYS CE C 13 42.670 0.40 . 1 . . . A 86 LYS CE . 19000 1
1036 . 1 1 110 110 LYS N N 15 125.728 0.40 . 1 . . . A 86 LYS N . 19000 1
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