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 11019
_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 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.4
_Assigned_chem_shift_list.Chem_shift_15N_err 0.4
_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
9 '2D 1H-1H NOESY' 1 $sample_1 isotropic 11019 1
10 '3D 1H-15N NOESY' 2 $sample_2 isotropic 11019 1
11 '3D 1H-13C NOESY' 3 $sample_3 isotropic 11019 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
6 $CARA . . 11019 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 4 4 THR N N 15 117.292 0.4 . 1 . . . . 4 THR N . 11019 1
2 . 1 1 4 4 THR H H 1 8.028 0.02 . 1 . . . . 4 THR H . 11019 1
3 . 1 1 4 4 THR CA C 13 58.817 0.4 . 1 . . . . 4 THR CA . 11019 1
4 . 1 1 4 4 THR HA H 1 4.131 0.02 . 1 . . . . 4 THR HA . 11019 1
5 . 1 1 4 4 THR CB C 13 67.576 0.4 . 1 . . . . 4 THR CB . 11019 1
6 . 1 1 4 4 THR HB H 1 3.929 0.02 . 1 . . . . 4 THR HB . 11019 1
7 . 1 1 4 4 THR HG21 H 1 1.053 0.02 . 1 . . . . 4 THR HG2 . 11019 1
8 . 1 1 4 4 THR HG22 H 1 1.053 0.02 . 1 . . . . 4 THR HG2 . 11019 1
9 . 1 1 4 4 THR HG23 H 1 1.053 0.02 . 1 . . . . 4 THR HG2 . 11019 1
10 . 1 1 4 4 THR CG2 C 13 18.807 0.4 . 1 . . . . 4 THR CG2 . 11019 1
11 . 1 1 4 4 THR C C 13 170.874 0.4 . 1 . . . . 4 THR C . 11019 1
12 . 1 1 5 5 MET N N 15 124.349 0.4 . 1 . . . . 5 MET N . 11019 1
13 . 1 1 5 5 MET H H 1 8.233 0.02 . 1 . . . . 5 MET H . 11019 1
14 . 1 1 5 5 MET CA C 13 50.500 0.4 . 1 . . . . 5 MET CA . 11019 1
15 . 1 1 5 5 MET HA H 1 4.670 0.02 . 1 . . . . 5 MET HA . 11019 1
16 . 1 1 5 5 MET CB C 13 29.700 0.4 . 1 . . . . 5 MET CB . 11019 1
17 . 1 1 5 5 MET HB3 H 1 1.870 0.02 . 2 . . . . 5 MET HB3 . 11019 1
18 . 1 1 5 5 MET HG3 H 1 2.510 0.02 . 2 . . . . 5 MET HG3 . 11019 1
19 . 1 1 5 5 MET C C 13 171.256 0.4 . 1 . . . . 5 MET C . 11019 1
20 . 1 1 5 5 MET HB2 H 1 2.010 0.02 . 2 . . . . 5 MET HB2 . 11019 1
21 . 1 1 5 5 MET HG2 H 1 2.560 0.02 . 2 . . . . 5 MET HG2 . 11019 1
22 . 1 1 6 6 PRO CD C 13 47.744 0.4 . 1 . . . . 6 PRO CD . 11019 1
23 . 1 1 6 6 PRO CA C 13 60.478 0.4 . 1 . . . . 6 PRO CA . 11019 1
24 . 1 1 6 6 PRO HA H 1 4.284 0.02 . 1 . . . . 6 PRO HA . 11019 1
25 . 1 1 6 6 PRO CB C 13 29.215 0.4 . 1 . . . . 6 PRO CB . 11019 1
26 . 1 1 6 6 PRO HB3 H 1 2.200 0.02 . 2 . . . . 6 PRO HB3 . 11019 1
27 . 1 1 6 6 PRO CG C 13 24.502 0.4 . 1 . . . . 6 PRO CG . 11019 1
28 . 1 1 6 6 PRO HG3 H 1 1.965 0.02 . 2 . . . . 6 PRO HG3 . 11019 1
29 . 1 1 6 6 PRO HD3 H 1 3.668 0.02 . 2 . . . . 6 PRO HD3 . 11019 1
30 . 1 1 6 6 PRO C C 13 174.600 0.4 . 1 . . . . 6 PRO C . 11019 1
31 . 1 1 6 6 PRO HB2 H 1 1.836 0.02 . 2 . . . . 6 PRO HB2 . 11019 1
32 . 1 1 6 6 PRO HD2 H 1 3.668 0.02 . 2 . . . . 6 PRO HD2 . 11019 1
33 . 1 1 6 6 PRO HG2 H 1 1.965 0.02 . 2 . . . . 6 PRO HG2 . 11019 1
34 . 1 1 7 7 GLY N N 15 108.874 0.4 . 1 . . . . 7 GLY N . 11019 1
35 . 1 1 7 7 GLY H H 1 8.360 0.02 . 1 . . . . 7 GLY H . 11019 1
36 . 1 1 7 7 GLY CA C 13 42.385 0.4 . 1 . . . . 7 GLY CA . 11019 1
37 . 1 1 7 7 GLY HA3 H 1 3.801 0.02 . 2 . . . . 7 GLY HA3 . 11019 1
38 . 1 1 7 7 GLY C C 13 171.217 0.4 . 1 . . . . 7 GLY C . 11019 1
39 . 1 1 7 7 GLY HA2 H 1 3.801 0.02 . 2 . . . . 7 GLY HA2 . 11019 1
40 . 1 1 8 8 LEU N N 15 121.580 0.4 . 1 . . . . 8 LEU N . 11019 1
41 . 1 1 8 8 LEU H H 1 7.925 0.02 . 1 . . . . 8 LEU H . 11019 1
42 . 1 1 8 8 LEU CA C 13 52.441 0.4 . 1 . . . . 8 LEU CA . 11019 1
43 . 1 1 8 8 LEU HA H 1 4.177 0.02 . 1 . . . . 8 LEU HA . 11019 1
44 . 1 1 8 8 LEU CB C 13 39.504 0.4 . 1 . . . . 8 LEU CB . 11019 1
45 . 1 1 8 8 LEU HB3 H 1 1.388 0.02 . 2 . . . . 8 LEU HB3 . 11019 1
46 . 1 1 8 8 LEU CG C 13 24.101 0.4 . 1 . . . . 8 LEU CG . 11019 1
47 . 1 1 8 8 LEU HG H 1 1.519 0.02 . 1 . . . . 8 LEU HG . 11019 1
48 . 1 1 8 8 LEU HD11 H 1 0.835 0.02 . 2 . . . . 8 LEU HD1 . 11019 1
49 . 1 1 8 8 LEU HD12 H 1 0.835 0.02 . 2 . . . . 8 LEU HD1 . 11019 1
50 . 1 1 8 8 LEU HD13 H 1 0.835 0.02 . 2 . . . . 8 LEU HD1 . 11019 1
51 . 1 1 8 8 LEU HD21 H 1 0.783 0.02 . 2 . . . . 8 LEU HD2 . 11019 1
52 . 1 1 8 8 LEU HD22 H 1 0.783 0.02 . 2 . . . . 8 LEU HD2 . 11019 1
53 . 1 1 8 8 LEU HD23 H 1 0.783 0.02 . 2 . . . . 8 LEU HD2 . 11019 1
54 . 1 1 8 8 LEU CD1 C 13 21.891 0.4 . 1 . . . . 8 LEU CD1 . 11019 1
55 . 1 1 8 8 LEU CD2 C 13 20.612 0.4 . 1 . . . . 8 LEU CD2 . 11019 1
56 . 1 1 8 8 LEU C C 13 174.635 0.4 . 1 . . . . 8 LEU C . 11019 1
57 . 1 1 8 8 LEU HB2 H 1 1.527 0.02 . 2 . . . . 8 LEU HB2 . 11019 1
58 . 1 1 9 9 VAL N N 15 120.750 0.4 . 1 . . . . 9 VAL N . 11019 1
59 . 1 1 9 9 VAL H H 1 8.047 0.02 . 1 . . . . 9 VAL H . 11019 1
60 . 1 1 9 9 VAL CA C 13 58.177 0.4 . 1 . . . . 9 VAL CA . 11019 1
61 . 1 1 9 9 VAL HA H 1 3.982 0.02 . 1 . . . . 9 VAL HA . 11019 1
62 . 1 1 9 9 VAL CB C 13 29.969 0.4 . 1 . . . . 9 VAL CB . 11019 1
63 . 1 1 9 9 VAL HB H 1 1.924 0.02 . 1 . . . . 9 VAL HB . 11019 1
64 . 1 1 9 9 VAL HG11 H 1 0.820 0.02 . 2 . . . . 9 VAL HG1 . 11019 1
65 . 1 1 9 9 VAL HG12 H 1 0.820 0.02 . 2 . . . . 9 VAL HG1 . 11019 1
66 . 1 1 9 9 VAL HG13 H 1 0.820 0.02 . 2 . . . . 9 VAL HG1 . 11019 1
67 . 1 1 9 9 VAL HG21 H 1 0.795 0.02 . 2 . . . . 9 VAL HG2 . 11019 1
68 . 1 1 9 9 VAL HG22 H 1 0.795 0.02 . 2 . . . . 9 VAL HG2 . 11019 1
69 . 1 1 9 9 VAL HG23 H 1 0.795 0.02 . 2 . . . . 9 VAL HG2 . 11019 1
70 . 1 1 9 9 VAL CG1 C 13 18.204 0.4 . 1 . . . . 9 VAL CG1 . 11019 1
71 . 1 1 9 9 VAL CG2 C 13 17.626 0.4 . 1 . . . . 9 VAL CG2 . 11019 1
72 . 1 1 9 9 VAL C C 13 173.021 0.4 . 1 . . . . 9 VAL C . 11019 1
73 . 1 1 10 10 ASP N N 15 124.197 0.4 . 1 . . . . 10 ASP N . 11019 1
74 . 1 1 10 10 ASP H H 1 8.292 0.02 . 1 . . . . 10 ASP H . 11019 1
75 . 1 1 10 10 ASP CA C 13 51.549 0.4 . 1 . . . . 10 ASP CA . 11019 1
76 . 1 1 10 10 ASP HA H 1 4.459 0.02 . 1 . . . . 10 ASP HA . 11019 1
77 . 1 1 10 10 ASP CB C 13 38.338 0.4 . 1 . . . . 10 ASP CB . 11019 1
78 . 1 1 10 10 ASP HB3 H 1 2.591 0.02 . 2 . . . . 10 ASP HB3 . 11019 1
79 . 1 1 10 10 ASP C C 13 173.282 0.4 . 1 . . . . 10 ASP C . 11019 1
80 . 1 1 10 10 ASP HB2 H 1 2.470 0.02 . 2 . . . . 10 ASP HB2 . 11019 1
81 . 1 1 11 11 SER N N 15 116.282 0.4 . 1 . . . . 11 SER N . 11019 1
82 . 1 1 11 11 SER H H 1 8.134 0.02 . 1 . . . . 11 SER H . 11019 1
83 . 1 1 11 11 SER CA C 13 55.478 0.4 . 1 . . . . 11 SER CA . 11019 1
84 . 1 1 11 11 SER HA H 1 4.298 0.02 . 1 . . . . 11 SER HA . 11019 1
85 . 1 1 11 11 SER CB C 13 60.924 0.4 . 1 . . . . 11 SER CB . 11019 1
86 . 1 1 11 11 SER HB3 H 1 3.733 0.02 . 2 . . . . 11 SER HB3 . 11019 1
87 . 1 1 11 11 SER C C 13 171.217 0.4 . 1 . . . . 11 SER C . 11019 1
88 . 1 1 11 11 SER HB2 H 1 3.733 0.02 . 2 . . . . 11 SER HB2 . 11019 1
89 . 1 1 12 12 ASN N N 15 121.361 0.4 . 1 . . . . 12 ASN N . 11019 1
90 . 1 1 12 12 ASN H H 1 8.272 0.02 . 1 . . . . 12 ASN H . 11019 1
91 . 1 1 12 12 ASN CA C 13 48.643 0.4 . 1 . . . . 12 ASN CA . 11019 1
92 . 1 1 12 12 ASN HA H 1 4.840 0.02 . 1 . . . . 12 ASN HA . 11019 1
93 . 1 1 12 12 ASN CB C 13 35.774 0.4 . 1 . . . . 12 ASN CB . 11019 1
94 . 1 1 12 12 ASN HB3 H 1 2.574 0.02 . 2 . . . . 12 ASN HB3 . 11019 1
95 . 1 1 12 12 ASN ND2 N 15 113.400 0.4 . 1 . . . . 12 ASN ND2 . 11019 1
96 . 1 1 12 12 ASN HD21 H 1 6.810 0.02 . 2 . . . . 12 ASN HD21 . 11019 1
97 . 1 1 12 12 ASN HD22 H 1 7.570 0.02 . 2 . . . . 12 ASN HD22 . 11019 1
98 . 1 1 12 12 ASN C C 13 170.035 0.4 . 1 . . . . 12 ASN C . 11019 1
99 . 1 1 12 12 ASN HB2 H 1 2.694 0.02 . 2 . . . . 12 ASN HB2 . 11019 1
100 . 1 1 13 13 PRO CD C 13 47.752 0.4 . 1 . . . . 13 PRO CD . 11019 1
101 . 1 1 13 13 PRO CA C 13 60.109 0.4 . 1 . . . . 13 PRO CA . 11019 1
102 . 1 1 13 13 PRO HA H 1 4.283 0.02 . 1 . . . . 13 PRO HA . 11019 1
103 . 1 1 13 13 PRO CB C 13 29.215 0.4 . 1 . . . . 13 PRO CB . 11019 1
104 . 1 1 13 13 PRO HB3 H 1 2.181 0.02 . 2 . . . . 13 PRO HB3 . 11019 1
105 . 1 1 13 13 PRO CG C 13 24.452 0.4 . 1 . . . . 13 PRO CG . 11019 1
106 . 1 1 13 13 PRO HG3 H 1 1.942 0.02 . 2 . . . . 13 PRO HG3 . 11019 1
107 . 1 1 13 13 PRO HD3 H 1 3.510 0.02 . 2 . . . . 13 PRO HD3 . 11019 1
108 . 1 1 13 13 PRO C C 13 173.500 0.4 . 1 . . . . 13 PRO C . 11019 1
109 . 1 1 13 13 PRO HB2 H 1 1.839 0.02 . 2 . . . . 13 PRO HB2 . 11019 1
110 . 1 1 13 13 PRO HD2 H 1 3.695 0.02 . 2 . . . . 13 PRO HD2 . 11019 1
111 . 1 1 13 13 PRO HG2 H 1 1.942 0.02 . 2 . . . . 13 PRO HG2 . 11019 1
112 . 1 1 14 14 ALA N N 15 125.727 0.4 . 1 . . . . 14 ALA N . 11019 1
113 . 1 1 14 14 ALA H H 1 8.264 0.02 . 1 . . . . 14 ALA H . 11019 1
114 . 1 1 14 14 ALA CA C 13 47.554 0.4 . 1 . . . . 14 ALA CA . 11019 1
115 . 1 1 14 14 ALA HA H 1 4.461 0.02 . 1 . . . . 14 ALA HA . 11019 1
116 . 1 1 14 14 ALA HB1 H 1 1.211 0.02 . 1 . . . . 14 ALA HB . 11019 1
117 . 1 1 14 14 ALA HB2 H 1 1.211 0.02 . 1 . . . . 14 ALA HB . 11019 1
118 . 1 1 14 14 ALA HB3 H 1 1.211 0.02 . 1 . . . . 14 ALA HB . 11019 1
119 . 1 1 14 14 ALA CB C 13 15.060 0.4 . 1 . . . . 14 ALA CB . 11019 1
120 . 1 1 14 14 ALA C C 13 172.207 0.4 . 1 . . . . 14 ALA C . 11019 1
121 . 1 1 15 15 PRO CD C 13 47.624 0.4 . 1 . . . . 15 PRO CD . 11019 1
122 . 1 1 15 15 PRO CA C 13 58.640 0.4 . 1 . . . . 15 PRO CA . 11019 1
123 . 1 1 15 15 PRO HA H 1 4.609 0.02 . 1 . . . . 15 PRO HA . 11019 1
124 . 1 1 15 15 PRO CB C 13 28.249 0.4 . 1 . . . . 15 PRO CB . 11019 1
125 . 1 1 15 15 PRO HB3 H 1 2.260 0.02 . 2 . . . . 15 PRO HB3 . 11019 1
126 . 1 1 15 15 PRO CG C 13 24.626 0.4 . 1 . . . . 15 PRO CG . 11019 1
127 . 1 1 15 15 PRO HG3 H 1 1.950 0.02 . 2 . . . . 15 PRO HG3 . 11019 1
128 . 1 1 15 15 PRO HD3 H 1 3.723 0.02 . 2 . . . . 15 PRO HD3 . 11019 1
129 . 1 1 15 15 PRO HB2 H 1 1.832 0.02 . 2 . . . . 15 PRO HB2 . 11019 1
130 . 1 1 15 15 PRO HD2 H 1 3.534 0.02 . 2 . . . . 15 PRO HD2 . 11019 1
131 . 1 1 15 15 PRO HG2 H 1 1.950 0.02 . 2 . . . . 15 PRO HG2 . 11019 1
132 . 1 1 16 16 PRO CD C 13 47.740 0.4 . 1 . . . . 16 PRO CD . 11019 1
133 . 1 1 16 16 PRO CA C 13 60.463 0.4 . 1 . . . . 16 PRO CA . 11019 1
134 . 1 1 16 16 PRO HA H 1 4.285 0.02 . 1 . . . . 16 PRO HA . 11019 1
135 . 1 1 16 16 PRO CB C 13 29.169 0.4 . 1 . . . . 16 PRO CB . 11019 1
136 . 1 1 16 16 PRO HB3 H 1 2.217 0.02 . 2 . . . . 16 PRO HB3 . 11019 1
137 . 1 1 16 16 PRO CG C 13 24.420 0.4 . 1 . . . . 16 PRO CG . 11019 1
138 . 1 1 16 16 PRO HG3 H 1 1.905 0.02 . 2 . . . . 16 PRO HG3 . 11019 1
139 . 1 1 16 16 PRO HD3 H 1 3.526 0.02 . 2 . . . . 16 PRO HD3 . 11019 1
140 . 1 1 16 16 PRO HB2 H 1 1.836 0.02 . 2 . . . . 16 PRO HB2 . 11019 1
141 . 1 1 16 16 PRO HD2 H 1 3.690 0.02 . 2 . . . . 16 PRO HD2 . 11019 1
142 . 1 1 16 16 PRO HG2 H 1 1.905 0.02 . 2 . . . . 16 PRO HG2 . 11019 1
143 . 1 1 17 17 GLU N N 15 120.490 0.4 . 1 . . . . 17 GLU N . 11019 1
144 . 1 1 17 17 GLU H H 1 8.544 0.02 . 1 . . . . 17 GLU H . 11019 1
145 . 1 1 17 17 GLU CA C 13 54.139 0.4 . 1 . . . . 17 GLU CA . 11019 1
146 . 1 1 17 17 GLU HA H 1 4.131 0.02 . 1 . . . . 17 GLU HA . 11019 1
147 . 1 1 17 17 GLU CB C 13 27.107 0.4 . 1 . . . . 17 GLU CB . 11019 1
148 . 1 1 17 17 GLU HB3 H 1 1.925 0.02 . 2 . . . . 17 GLU HB3 . 11019 1
149 . 1 1 17 17 GLU CG C 13 33.450 0.4 . 1 . . . . 17 GLU CG . 11019 1
150 . 1 1 17 17 GLU HG3 H 1 2.193 0.02 . 2 . . . . 17 GLU HG3 . 11019 1
151 . 1 1 17 17 GLU C C 13 173.973 0.4 . 1 . . . . 17 GLU C . 11019 1
152 . 1 1 17 17 GLU HB2 H 1 1.842 0.02 . 2 . . . . 17 GLU HB2 . 11019 1
153 . 1 1 17 17 GLU HG2 H 1 2.151 0.02 . 2 . . . . 17 GLU HG2 . 11019 1
154 . 1 1 18 18 SER N N 15 116.415 0.4 . 1 . . . . 18 SER N . 11019 1
155 . 1 1 18 18 SER H H 1 8.238 0.02 . 1 . . . . 18 SER H . 11019 1
156 . 1 1 18 18 SER CA C 13 55.493 0.4 . 1 . . . . 18 SER CA . 11019 1
157 . 1 1 18 18 SER HA H 1 4.294 0.02 . 1 . . . . 18 SER HA . 11019 1
158 . 1 1 18 18 SER CB C 13 60.955 0.4 . 1 . . . . 18 SER CB . 11019 1
159 . 1 1 18 18 SER HB3 H 1 3.796 0.02 . 2 . . . . 18 SER HB3 . 11019 1
160 . 1 1 18 18 SER C C 13 171.987 0.4 . 1 . . . . 18 SER C . 11019 1
161 . 1 1 18 18 SER HB2 H 1 3.720 0.02 . 2 . . . . 18 SER HB2 . 11019 1
162 . 1 1 19 19 GLN N N 15 122.129 0.4 . 1 . . . . 19 GLN N . 11019 1
163 . 1 1 19 19 GLN H H 1 8.257 0.02 . 1 . . . . 19 GLN H . 11019 1
164 . 1 1 19 19 GLN CA C 13 52.984 0.4 . 1 . . . . 19 GLN CA . 11019 1
165 . 1 1 19 19 GLN HA H 1 4.218 0.02 . 1 . . . . 19 GLN HA . 11019 1
166 . 1 1 19 19 GLN CB C 13 26.447 0.4 . 1 . . . . 19 GLN CB . 11019 1
167 . 1 1 19 19 GLN HB3 H 1 1.841 0.02 . 2 . . . . 19 GLN HB3 . 11019 1
168 . 1 1 19 19 GLN CG C 13 31.081 0.4 . 1 . . . . 19 GLN CG . 11019 1
169 . 1 1 19 19 GLN HG3 H 1 2.256 0.02 . 2 . . . . 19 GLN HG3 . 11019 1
170 . 1 1 19 19 GLN NE2 N 15 112.600 0.4 . 1 . . . . 19 GLN NE2 . 11019 1
171 . 1 1 19 19 GLN HE21 H 1 6.780 0.02 . 2 . . . . 19 GLN HE21 . 11019 1
172 . 1 1 19 19 GLN HE22 H 1 7.440 0.02 . 2 . . . . 19 GLN HE22 . 11019 1
173 . 1 1 19 19 GLN C C 13 173.175 0.4 . 1 . . . . 19 GLN C . 11019 1
174 . 1 1 19 19 GLN HB2 H 1 2.031 0.02 . 2 . . . . 19 GLN HB2 . 11019 1
175 . 1 1 19 19 GLN HG2 H 1 2.256 0.02 . 2 . . . . 19 GLN HG2 . 11019 1
176 . 1 1 20 20 GLU N N 15 121.680 0.4 . 1 . . . . 20 GLU N . 11019 1
177 . 1 1 20 20 GLU H H 1 8.253 0.02 . 1 . . . . 20 GLU H . 11019 1
178 . 1 1 20 20 GLU CA C 13 53.801 0.4 . 1 . . . . 20 GLU CA . 11019 1
179 . 1 1 20 20 GLU HA H 1 4.124 0.02 . 1 . . . . 20 GLU HA . 11019 1
180 . 1 1 20 20 GLU CB C 13 27.191 0.4 . 1 . . . . 20 GLU CB . 11019 1
181 . 1 1 20 20 GLU HB3 H 1 1.868 0.02 . 2 . . . . 20 GLU HB3 . 11019 1
182 . 1 1 20 20 GLU CG C 13 33.397 0.4 . 1 . . . . 20 GLU CG . 11019 1
183 . 1 1 20 20 GLU HG3 H 1 2.178 0.02 . 2 . . . . 20 GLU HG3 . 11019 1
184 . 1 1 20 20 GLU C C 13 173.540 0.4 . 1 . . . . 20 GLU C . 11019 1
185 . 1 1 20 20 GLU HB2 H 1 1.868 0.02 . 2 . . . . 20 GLU HB2 . 11019 1
186 . 1 1 20 20 GLU HG2 H 1 2.178 0.02 . 2 . . . . 20 GLU HG2 . 11019 1
187 . 1 1 21 21 LYS N N 15 122.767 0.4 . 1 . . . . 21 LYS N . 11019 1
188 . 1 1 21 21 LYS H H 1 8.260 0.02 . 1 . . . . 21 LYS H . 11019 1
189 . 1 1 21 21 LYS CA C 13 53.277 0.4 . 1 . . . . 21 LYS CA . 11019 1
190 . 1 1 21 21 LYS HA H 1 4.180 0.02 . 1 . . . . 21 LYS HA . 11019 1
191 . 1 1 21 21 LYS CB C 13 29.599 0.4 . 1 . . . . 21 LYS CB . 11019 1
192 . 1 1 21 21 LYS HB3 H 1 1.724 0.02 . 2 . . . . 21 LYS HB3 . 11019 1
193 . 1 1 21 21 LYS CG C 13 21.902 0.4 . 1 . . . . 21 LYS CG . 11019 1
194 . 1 1 21 21 LYS HG3 H 1 1.605 0.02 . 2 . . . . 21 LYS HG3 . 11019 1
195 . 1 1 21 21 LYS C C 13 173.483 0.4 . 1 . . . . 21 LYS C . 11019 1
196 . 1 1 21 21 LYS HB2 H 1 1.724 0.02 . 2 . . . . 21 LYS HB2 . 11019 1
197 . 1 1 21 21 LYS HG2 H 1 1.605 0.02 . 2 . . . . 21 LYS HG2 . 11019 1
198 . 1 1 22 22 LYS N N 15 123.811 0.4 . 1 . . . . 22 LYS N . 11019 1
199 . 1 1 22 22 LYS H H 1 8.220 0.02 . 1 . . . . 22 LYS H . 11019 1
200 . 1 1 22 22 LYS CA C 13 51.146 0.4 . 1 . . . . 22 LYS CA . 11019 1
201 . 1 1 22 22 LYS HA H 1 4.550 0.02 . 1 . . . . 22 LYS HA . 11019 1
202 . 1 1 22 22 LYS CB C 13 29.500 0.4 . 1 . . . . 22 LYS CB . 11019 1
203 . 1 1 22 22 LYS HB3 H 1 1.650 0.02 . 2 . . . . 22 LYS HB3 . 11019 1
204 . 1 1 22 22 LYS CG C 13 21.600 0.4 . 1 . . . . 22 LYS CG . 11019 1
205 . 1 1 22 22 LYS HG3 H 1 1.380 0.02 . 2 . . . . 22 LYS HG3 . 11019 1
206 . 1 1 22 22 LYS CD C 13 26.200 0.4 . 1 . . . . 22 LYS CD . 11019 1
207 . 1 1 22 22 LYS HD3 H 1 1.620 0.02 . 2 . . . . 22 LYS HD3 . 11019 1
208 . 1 1 22 22 LYS CE C 13 39.100 0.4 . 1 . . . . 22 LYS CE . 11019 1
209 . 1 1 22 22 LYS HE3 H 1 2.920 0.02 . 2 . . . . 22 LYS HE3 . 11019 1
210 . 1 1 22 22 LYS C C 13 171.569 0.4 . 1 . . . . 22 LYS C . 11019 1
211 . 1 1 22 22 LYS HB2 H 1 1.750 0.02 . 2 . . . . 22 LYS HB2 . 11019 1
212 . 1 1 22 22 LYS HD2 H 1 1.620 0.02 . 2 . . . . 22 LYS HD2 . 11019 1
213 . 1 1 22 22 LYS HE2 H 1 2.920 0.02 . 2 . . . . 22 LYS HE2 . 11019 1
214 . 1 1 22 22 LYS HG2 H 1 1.380 0.02 . 2 . . . . 22 LYS HG2 . 11019 1
215 . 1 1 23 23 PRO CD C 13 47.800 0.4 . 1 . . . . 23 PRO CD . 11019 1
216 . 1 1 23 23 PRO CA C 13 60.300 0.4 . 1 . . . . 23 PRO CA . 11019 1
217 . 1 1 23 23 PRO HA H 1 4.330 0.02 . 1 . . . . 23 PRO HA . 11019 1
218 . 1 1 23 23 PRO CB C 13 29.300 0.4 . 1 . . . . 23 PRO CB . 11019 1
219 . 1 1 23 23 PRO CG C 13 24.500 0.4 . 1 . . . . 23 PRO CG . 11019 1
220 . 1 1 23 23 PRO HG3 H 1 1.950 0.02 . 2 . . . . 23 PRO HG3 . 11019 1
221 . 1 1 23 23 PRO HD3 H 1 3.570 0.02 . 2 . . . . 23 PRO HD3 . 11019 1
222 . 1 1 23 23 PRO C C 13 174.000 0.4 . 1 . . . . 23 PRO C . 11019 1
223 . 1 1 23 23 PRO HD2 H 1 3.670 0.02 . 2 . . . . 23 PRO HD2 . 11019 1
224 . 1 1 23 23 PRO HG2 H 1 1.950 0.02 . 2 . . . . 23 PRO HG2 . 11019 1
225 . 1 1 24 24 LEU N N 15 123.026 0.4 . 1 . . . . 24 LEU N . 11019 1
226 . 1 1 24 24 LEU H H 1 8.271 0.02 . 1 . . . . 24 LEU H . 11019 1
227 . 1 1 24 24 LEU CA C 13 52.327 0.4 . 1 . . . . 24 LEU CA . 11019 1
228 . 1 1 24 24 LEU HA H 1 4.263 0.02 . 1 . . . . 24 LEU HA . 11019 1
229 . 1 1 24 24 LEU CB C 13 39.500 0.4 . 1 . . . . 24 LEU CB . 11019 1
230 . 1 1 24 24 LEU HB3 H 1 1.540 0.02 . 2 . . . . 24 LEU HB3 . 11019 1
231 . 1 1 24 24 LEU CG C 13 24.159 0.4 . 1 . . . . 24 LEU CG . 11019 1
232 . 1 1 24 24 LEU HG H 1 1.512 0.02 . 1 . . . . 24 LEU HG . 11019 1
233 . 1 1 24 24 LEU HD11 H 1 0.750 0.02 . 2 . . . . 24 LEU HD1 . 11019 1
234 . 1 1 24 24 LEU HD12 H 1 0.750 0.02 . 2 . . . . 24 LEU HD1 . 11019 1
235 . 1 1 24 24 LEU HD13 H 1 0.750 0.02 . 2 . . . . 24 LEU HD1 . 11019 1
236 . 1 1 24 24 LEU HD21 H 1 0.740 0.02 . 2 . . . . 24 LEU HD2 . 11019 1
237 . 1 1 24 24 LEU HD22 H 1 0.740 0.02 . 2 . . . . 24 LEU HD2 . 11019 1
238 . 1 1 24 24 LEU HD23 H 1 0.740 0.02 . 2 . . . . 24 LEU HD2 . 11019 1
239 . 1 1 24 24 LEU CD1 C 13 21.952 0.4 . 1 . . . . 24 LEU CD1 . 11019 1
240 . 1 1 24 24 LEU CD2 C 13 20.735 0.4 . 1 . . . . 24 LEU CD2 . 11019 1
241 . 1 1 24 24 LEU C C 13 174.539 0.4 . 1 . . . . 24 LEU C . 11019 1
242 . 1 1 24 24 LEU HB2 H 1 1.432 0.02 . 2 . . . . 24 LEU HB2 . 11019 1
243 . 1 1 25 25 LYS N N 15 123.527 0.4 . 1 . . . . 25 LYS N . 11019 1
244 . 1 1 25 25 LYS H H 1 8.170 0.02 . 1 . . . . 25 LYS H . 11019 1
245 . 1 1 25 25 LYS CA C 13 53.300 0.4 . 1 . . . . 25 LYS CA . 11019 1
246 . 1 1 25 25 LYS HA H 1 4.260 0.02 . 1 . . . . 25 LYS HA . 11019 1
247 . 1 1 25 25 LYS CB C 13 29.900 0.4 . 1 . . . . 25 LYS CB . 11019 1
248 . 1 1 25 25 LYS HB3 H 1 1.700 0.02 . 2 . . . . 25 LYS HB3 . 11019 1
249 . 1 1 25 25 LYS C C 13 172.201 0.4 . 1 . . . . 25 LYS C . 11019 1
250 . 1 1 25 25 LYS HB2 H 1 1.700 0.02 . 2 . . . . 25 LYS HB2 . 11019 1
251 . 1 1 28 28 CYS CA C 13 55.186 0.4 . 1 . . . . 28 CYS CA . 11019 1
252 . 1 1 28 28 CYS HA H 1 4.368 0.02 . 1 . . . . 28 CYS HA . 11019 1
253 . 1 1 28 28 CYS CB C 13 25.730 0.4 . 1 . . . . 28 CYS CB . 11019 1
254 . 1 1 28 28 CYS HB3 H 1 2.844 0.02 . 2 . . . . 28 CYS HB3 . 11019 1
255 . 1 1 28 28 CYS HB2 H 1 2.844 0.02 . 2 . . . . 28 CYS HB2 . 11019 1
256 . 1 1 29 29 ALA N N 15 125.015 0.4 . 1 . . . . 29 ALA N . 11019 1
257 . 1 1 29 29 ALA H H 1 7.672 0.02 . 1 . . . . 29 ALA H . 11019 1
258 . 1 1 29 29 ALA CA C 13 49.278 0.4 . 1 . . . . 29 ALA CA . 11019 1
259 . 1 1 29 29 ALA HA H 1 4.206 0.02 . 1 . . . . 29 ALA HA . 11019 1
260 . 1 1 29 29 ALA HB1 H 1 1.210 0.02 . 1 . . . . 29 ALA HB . 11019 1
261 . 1 1 29 29 ALA HB2 H 1 1.210 0.02 . 1 . . . . 29 ALA HB . 11019 1
262 . 1 1 29 29 ALA HB3 H 1 1.210 0.02 . 1 . . . . 29 ALA HB . 11019 1
263 . 1 1 29 29 ALA CB C 13 17.399 0.4 . 1 . . . . 29 ALA CB . 11019 1
264 . 1 1 29 29 ALA C C 13 173.420 0.4 . 1 . . . . 29 ALA C . 11019 1
265 . 1 1 30 30 CYS N N 15 115.942 0.4 . 1 . . . . 30 CYSS N . 11019 1
266 . 1 1 30 30 CYS H H 1 9.088 0.02 . 1 . . . . 30 CYSS H . 11019 1
267 . 1 1 30 30 CYS CA C 13 55.841 0.4 . 1 . . . . 30 CYSS CA . 11019 1
268 . 1 1 30 30 CYS HA H 1 4.331 0.02 . 1 . . . . 30 CYSS HA . 11019 1
269 . 1 1 30 30 CYS CB C 13 40.666 0.4 . 1 . . . . 30 CYSS CB . 11019 1
270 . 1 1 30 30 CYS HB2 H 1 3.774 0.02 . 2 . . . . 30 CYSS HB2 . 11019 1
271 . 1 1 30 30 CYS HB3 H 1 3.156 0.02 . 2 . . . . 30 CYSS HB3 . 11019 1
272 . 1 1 30 30 CYS C C 13 169.427 0.4 . 1 . . . . 30 CYSS C . 11019 1
273 . 1 1 31 31 PRO CD C 13 47.645 0.4 . 1 . . . . 31 PRO CD . 11019 1
274 . 1 1 31 31 PRO CA C 13 62.135 0.4 . 1 . . . . 31 PRO CA . 11019 1
275 . 1 1 31 31 PRO HA H 1 4.126 0.02 . 1 . . . . 31 PRO HA . 11019 1
276 . 1 1 31 31 PRO CB C 13 28.204 0.4 . 1 . . . . 31 PRO CB . 11019 1
277 . 1 1 31 31 PRO HB3 H 1 2.072 0.02 . 2 . . . . 31 PRO HB3 . 11019 1
278 . 1 1 31 31 PRO CG C 13 24.798 0.4 . 1 . . . . 31 PRO CG . 11019 1
279 . 1 1 31 31 PRO HG3 H 1 2.021 0.02 . 2 . . . . 31 PRO HG3 . 11019 1
280 . 1 1 31 31 PRO HD3 H 1 3.724 0.02 . 2 . . . . 31 PRO HD3 . 11019 1
281 . 1 1 31 31 PRO C C 13 177.200 0.4 . 1 . . . . 31 PRO C . 11019 1
282 . 1 1 31 31 PRO HB2 H 1 1.906 0.02 . 2 . . . . 31 PRO HB2 . 11019 1
283 . 1 1 31 31 PRO HD2 H 1 3.573 0.02 . 2 . . . . 31 PRO HD2 . 11019 1
284 . 1 1 31 31 PRO HG2 H 1 2.021 0.02 . 2 . . . . 31 PRO HG2 . 11019 1
285 . 1 1 32 32 GLU N N 15 119.052 0.4 . 1 . . . . 32 GLU N . 11019 1
286 . 1 1 32 32 GLU H H 1 8.076 0.02 . 1 . . . . 32 GLU H . 11019 1
287 . 1 1 32 32 GLU CA C 13 57.453 0.4 . 1 . . . . 32 GLU CA . 11019 1
288 . 1 1 32 32 GLU HA H 1 4.035 0.02 . 1 . . . . 32 GLU HA . 11019 1
289 . 1 1 32 32 GLU CB C 13 25.876 0.4 . 1 . . . . 32 GLU CB . 11019 1
290 . 1 1 32 32 GLU HB3 H 1 2.085 0.02 . 2 . . . . 32 GLU HB3 . 11019 1
291 . 1 1 32 32 GLU CG C 13 33.801 0.4 . 1 . . . . 32 GLU CG . 11019 1
292 . 1 1 32 32 GLU HG3 H 1 2.287 0.02 . 2 . . . . 32 GLU HG3 . 11019 1
293 . 1 1 32 32 GLU C C 13 177.687 0.4 . 1 . . . . 32 GLU C . 11019 1
294 . 1 1 32 32 GLU HB2 H 1 1.985 0.02 . 2 . . . . 32 GLU HB2 . 11019 1
295 . 1 1 32 32 GLU HG2 H 1 2.221 0.02 . 2 . . . . 32 GLU HG2 . 11019 1
296 . 1 1 33 33 THR N N 15 112.749 0.4 . 1 . . . . 33 THR N . 11019 1
297 . 1 1 33 33 THR H H 1 8.610 0.02 . 1 . . . . 33 THR H . 11019 1
298 . 1 1 33 33 THR CA C 13 61.708 0.4 . 1 . . . . 33 THR CA . 11019 1
299 . 1 1 33 33 THR HA H 1 3.969 0.02 . 1 . . . . 33 THR HA . 11019 1
300 . 1 1 33 33 THR CB C 13 63.933 0.4 . 1 . . . . 33 THR CB . 11019 1
301 . 1 1 33 33 THR HB H 1 4.128 0.02 . 1 . . . . 33 THR HB . 11019 1
302 . 1 1 33 33 THR HG21 H 1 1.172 0.02 . 1 . . . . 33 THR HG2 . 11019 1
303 . 1 1 33 33 THR HG22 H 1 1.172 0.02 . 1 . . . . 33 THR HG2 . 11019 1
304 . 1 1 33 33 THR HG23 H 1 1.172 0.02 . 1 . . . . 33 THR HG2 . 11019 1
305 . 1 1 33 33 THR CG2 C 13 19.502 0.4 . 1 . . . . 33 THR CG2 . 11019 1
306 . 1 1 33 33 THR C C 13 177.038 0.4 . 1 . . . . 33 THR C . 11019 1
307 . 1 1 34 34 LYS N N 15 127.030 0.4 . 1 . . . . 34 LYS N . 11019 1
308 . 1 1 34 34 LYS H H 1 7.961 0.02 . 1 . . . . 34 LYS H . 11019 1
309 . 1 1 34 34 LYS CA C 13 57.824 0.4 . 1 . . . . 34 LYS CA . 11019 1
310 . 1 1 34 34 LYS HA H 1 2.749 0.02 . 1 . . . . 34 LYS HA . 11019 1
311 . 1 1 34 34 LYS CB C 13 30.199 0.4 . 1 . . . . 34 LYS CB . 11019 1
312 . 1 1 34 34 LYS HB3 H 1 1.613 0.02 . 2 . . . . 34 LYS HB3 . 11019 1
313 . 1 1 34 34 LYS CG C 13 22.272 0.4 . 1 . . . . 34 LYS CG . 11019 1
314 . 1 1 34 34 LYS HG3 H 1 1.170 0.02 . 2 . . . . 34 LYS HG3 . 11019 1
315 . 1 1 34 34 LYS CD C 13 26.319 0.4 . 1 . . . . 34 LYS CD . 11019 1
316 . 1 1 34 34 LYS HD3 H 1 1.428 0.02 . 2 . . . . 34 LYS HD3 . 11019 1
317 . 1 1 34 34 LYS CE C 13 39.455 0.4 . 1 . . . . 34 LYS CE . 11019 1
318 . 1 1 34 34 LYS HE3 H 1 2.826 0.02 . 2 . . . . 34 LYS HE3 . 11019 1
319 . 1 1 34 34 LYS C C 13 174.595 0.4 . 1 . . . . 34 LYS C . 11019 1
320 . 1 1 34 34 LYS HB2 H 1 1.538 0.02 . 2 . . . . 34 LYS HB2 . 11019 1
321 . 1 1 34 34 LYS HD2 H 1 1.559 0.02 . 2 . . . . 34 LYS HD2 . 11019 1
322 . 1 1 34 34 LYS HE2 H 1 2.826 0.02 . 2 . . . . 34 LYS HE2 . 11019 1
323 . 1 1 34 34 LYS HG2 H 1 0.712 0.02 . 2 . . . . 34 LYS HG2 . 11019 1
324 . 1 1 35 35 LYS N N 15 117.842 0.4 . 1 . . . . 35 LYS N . 11019 1
325 . 1 1 35 35 LYS H H 1 7.718 0.02 . 1 . . . . 35 LYS H . 11019 1
326 . 1 1 35 35 LYS CA C 13 56.493 0.4 . 1 . . . . 35 LYS CA . 11019 1
327 . 1 1 35 35 LYS HA H 1 3.861 0.02 . 1 . . . . 35 LYS HA . 11019 1
328 . 1 1 35 35 LYS CB C 13 29.507 0.4 . 1 . . . . 35 LYS CB . 11019 1
329 . 1 1 35 35 LYS HB3 H 1 1.801 0.02 . 2 . . . . 35 LYS HB3 . 11019 1
330 . 1 1 35 35 LYS CG C 13 21.958 0.4 . 1 . . . . 35 LYS CG . 11019 1
331 . 1 1 35 35 LYS HG3 H 1 1.341 0.02 . 2 . . . . 35 LYS HG3 . 11019 1
332 . 1 1 35 35 LYS CD C 13 26.330 0.4 . 1 . . . . 35 LYS CD . 11019 1
333 . 1 1 35 35 LYS HD3 H 1 1.584 0.02 . 2 . . . . 35 LYS HD3 . 11019 1
334 . 1 1 35 35 LYS CE C 13 39.144 0.4 . 1 . . . . 35 LYS CE . 11019 1
335 . 1 1 35 35 LYS HE3 H 1 2.850 0.02 . 2 . . . . 35 LYS HE3 . 11019 1
336 . 1 1 35 35 LYS C C 13 176.713 0.4 . 1 . . . . 35 LYS C . 11019 1
337 . 1 1 35 35 LYS HB2 H 1 1.740 0.02 . 2 . . . . 35 LYS HB2 . 11019 1
338 . 1 1 35 35 LYS HD2 H 1 1.584 0.02 . 2 . . . . 35 LYS HD2 . 11019 1
339 . 1 1 35 35 LYS HE2 H 1 2.850 0.02 . 2 . . . . 35 LYS HE2 . 11019 1
340 . 1 1 35 35 LYS HG2 H 1 1.461 0.02 . 2 . . . . 35 LYS HG2 . 11019 1
341 . 1 1 36 36 ALA N N 15 119.853 0.4 . 1 . . . . 36 ALA N . 11019 1
342 . 1 1 36 36 ALA H H 1 7.459 0.02 . 1 . . . . 36 ALA H . 11019 1
343 . 1 1 36 36 ALA CA C 13 51.984 0.4 . 1 . . . . 36 ALA CA . 11019 1
344 . 1 1 36 36 ALA HA H 1 4.025 0.02 . 1 . . . . 36 ALA HA . 11019 1
345 . 1 1 36 36 ALA HB1 H 1 1.348 0.02 . 1 . . . . 36 ALA HB . 11019 1
346 . 1 1 36 36 ALA HB2 H 1 1.348 0.02 . 1 . . . . 36 ALA HB . 11019 1
347 . 1 1 36 36 ALA HB3 H 1 1.348 0.02 . 1 . . . . 36 ALA HB . 11019 1
348 . 1 1 36 36 ALA CB C 13 15.429 0.4 . 1 . . . . 36 ALA CB . 11019 1
349 . 1 1 36 36 ALA C C 13 177.731 0.4 . 1 . . . . 36 ALA C . 11019 1
350 . 1 1 37 37 ARG N N 15 118.520 0.4 . 1 . . . . 37 ARG N . 11019 1
351 . 1 1 37 37 ARG H H 1 7.816 0.02 . 1 . . . . 37 ARG H . 11019 1
352 . 1 1 37 37 ARG CA C 13 56.801 0.4 . 1 . . . . 37 ARG CA . 11019 1
353 . 1 1 37 37 ARG HA H 1 3.619 0.02 . 1 . . . . 37 ARG HA . 11019 1
354 . 1 1 37 37 ARG CB C 13 27.215 0.4 . 1 . . . . 37 ARG CB . 11019 1
355 . 1 1 37 37 ARG HB3 H 1 1.608 0.02 . 2 . . . . 37 ARG HB3 . 11019 1
356 . 1 1 37 37 ARG CG C 13 22.577 0.4 . 1 . . . . 37 ARG CG . 11019 1
357 . 1 1 37 37 ARG HG3 H 1 1.454 0.02 . 2 . . . . 37 ARG HG3 . 11019 1
358 . 1 1 37 37 ARG CD C 13 40.792 0.4 . 1 . . . . 37 ARG CD . 11019 1
359 . 1 1 37 37 ARG HD3 H 1 3.289 0.02 . 2 . . . . 37 ARG HD3 . 11019 1
360 . 1 1 37 37 ARG HE H 1 6.170 0.02 . 1 . . . . 37 ARG HE . 11019 1
361 . 1 1 37 37 ARG C C 13 174.278 0.4 . 1 . . . . 37 ARG C . 11019 1
362 . 1 1 37 37 ARG HB2 H 1 1.953 0.02 . 2 . . . . 37 ARG HB2 . 11019 1
363 . 1 1 37 37 ARG HD2 H 1 2.744 0.02 . 2 . . . . 37 ARG HD2 . 11019 1
364 . 1 1 37 37 ARG HG2 H 1 1.230 0.02 . 2 . . . . 37 ARG HG2 . 11019 1
365 . 1 1 38 38 ASP N N 15 120.078 0.4 . 1 . . . . 38 ASP N . 11019 1
366 . 1 1 38 38 ASP H H 1 8.720 0.02 . 1 . . . . 38 ASP H . 11019 1
367 . 1 1 38 38 ASP CA C 13 54.757 0.4 . 1 . . . . 38 ASP CA . 11019 1
368 . 1 1 38 38 ASP HA H 1 4.124 0.02 . 1 . . . . 38 ASP HA . 11019 1
369 . 1 1 38 38 ASP CB C 13 36.154 0.4 . 1 . . . . 38 ASP CB . 11019 1
370 . 1 1 38 38 ASP HB3 H 1 2.496 0.02 . 2 . . . . 38 ASP HB3 . 11019 1
371 . 1 1 38 38 ASP C C 13 175.682 0.4 . 1 . . . . 38 ASP C . 11019 1
372 . 1 1 38 38 ASP HB2 H 1 2.496 0.02 . 2 . . . . 38 ASP HB2 . 11019 1
373 . 1 1 39 39 ALA N N 15 120.713 0.4 . 1 . . . . 39 ALA N . 11019 1
374 . 1 1 39 39 ALA H H 1 7.949 0.02 . 1 . . . . 39 ALA H . 11019 1
375 . 1 1 39 39 ALA CA C 13 52.036 0.4 . 1 . . . . 39 ALA CA . 11019 1
376 . 1 1 39 39 ALA HA H 1 4.013 0.02 . 1 . . . . 39 ALA HA . 11019 1
377 . 1 1 39 39 ALA HB1 H 1 1.360 0.02 . 1 . . . . 39 ALA HB . 11019 1
378 . 1 1 39 39 ALA HB2 H 1 1.360 0.02 . 1 . . . . 39 ALA HB . 11019 1
379 . 1 1 39 39 ALA HB3 H 1 1.360 0.02 . 1 . . . . 39 ALA HB . 11019 1
380 . 1 1 39 39 ALA CB C 13 15.229 0.4 . 1 . . . . 39 ALA CB . 11019 1
381 . 1 1 39 39 ALA C C 13 176.833 0.4 . 1 . . . . 39 ALA C . 11019 1
382 . 1 1 40 40 CYS N N 15 117.561 0.4 . 1 . . . . 40 CYSS N . 11019 1
383 . 1 1 40 40 CYS H H 1 7.314 0.02 . 1 . . . . 40 CYSS H . 11019 1
384 . 1 1 40 40 CYS CA C 13 57.788 0.4 . 1 . . . . 40 CYSS CA . 11019 1
385 . 1 1 40 40 CYS HA H 1 4.154 0.02 . 1 . . . . 40 CYSS HA . 11019 1
386 . 1 1 40 40 CYS CB C 13 36.566 0.4 . 1 . . . . 40 CYSS CB . 11019 1
387 . 1 1 40 40 CYS HB2 H 1 3.303 0.02 . 2 . . . . 40 CYSS HB2 . 11019 1
388 . 1 1 40 40 CYS HB3 H 1 2.874 0.02 . 2 . . . . 40 CYSS HB3 . 11019 1
389 . 1 1 40 40 CYS C C 13 173.882 0.4 . 1 . . . . 40 CYSS C . 11019 1
390 . 1 1 41 41 ILE N N 15 121.518 0.4 . 1 . . . . 41 ILE N . 11019 1
391 . 1 1 41 41 ILE H H 1 8.296 0.02 . 1 . . . . 41 ILE H . 11019 1
392 . 1 1 41 41 ILE CA C 13 63.678 0.4 . 1 . . . . 41 ILE CA . 11019 1
393 . 1 1 41 41 ILE HA H 1 3.022 0.02 . 1 . . . . 41 ILE HA . 11019 1
394 . 1 1 41 41 ILE CB C 13 35.179 0.4 . 1 . . . . 41 ILE CB . 11019 1
395 . 1 1 41 41 ILE HB H 1 1.758 0.02 . 1 . . . . 41 ILE HB . 11019 1
396 . 1 1 41 41 ILE HG21 H 1 0.778 0.02 . 1 . . . . 41 ILE HG2 . 11019 1
397 . 1 1 41 41 ILE HG22 H 1 0.778 0.02 . 1 . . . . 41 ILE HG2 . 11019 1
398 . 1 1 41 41 ILE HG23 H 1 0.778 0.02 . 1 . . . . 41 ILE HG2 . 11019 1
399 . 1 1 41 41 ILE CG2 C 13 14.151 0.4 . 1 . . . . 41 ILE CG2 . 11019 1
400 . 1 1 41 41 ILE CG1 C 13 27.599 0.4 . 1 . . . . 41 ILE CG1 . 11019 1
401 . 1 1 41 41 ILE HG13 H 1 1.861 0.02 . 2 . . . . 41 ILE HG13 . 11019 1
402 . 1 1 41 41 ILE HD11 H 1 0.757 0.02 . 1 . . . . 41 ILE HD1 . 11019 1
403 . 1 1 41 41 ILE HD12 H 1 0.757 0.02 . 1 . . . . 41 ILE HD1 . 11019 1
404 . 1 1 41 41 ILE HD13 H 1 0.757 0.02 . 1 . . . . 41 ILE HD1 . 11019 1
405 . 1 1 41 41 ILE CD1 C 13 11.147 0.4 . 1 . . . . 41 ILE CD1 . 11019 1
406 . 1 1 41 41 ILE C C 13 176.190 0.4 . 1 . . . . 41 ILE C . 11019 1
407 . 1 1 41 41 ILE HG12 H 1 0.514 0.02 . 2 . . . . 41 ILE HG12 . 11019 1
408 . 1 1 42 42 ILE N N 15 118.860 0.4 . 1 . . . . 42 ILE N . 11019 1
409 . 1 1 42 42 ILE H H 1 7.719 0.02 . 1 . . . . 42 ILE H . 11019 1
410 . 1 1 42 42 ILE CA C 13 61.309 0.4 . 1 . . . . 42 ILE CA . 11019 1
411 . 1 1 42 42 ILE HA H 1 3.685 0.02 . 1 . . . . 42 ILE HA . 11019 1
412 . 1 1 42 42 ILE CB C 13 35.353 0.4 . 1 . . . . 42 ILE CB . 11019 1
413 . 1 1 42 42 ILE HB H 1 1.735 0.02 . 1 . . . . 42 ILE HB . 11019 1
414 . 1 1 42 42 ILE HG21 H 1 0.833 0.02 . 1 . . . . 42 ILE HG2 . 11019 1
415 . 1 1 42 42 ILE HG22 H 1 0.833 0.02 . 1 . . . . 42 ILE HG2 . 11019 1
416 . 1 1 42 42 ILE HG23 H 1 0.833 0.02 . 1 . . . . 42 ILE HG2 . 11019 1
417 . 1 1 42 42 ILE CG2 C 13 14.684 0.4 . 1 . . . . 42 ILE CG2 . 11019 1
418 . 1 1 42 42 ILE CG1 C 13 26.281 0.4 . 1 . . . . 42 ILE CG1 . 11019 1
419 . 1 1 42 42 ILE HG13 H 1 1.515 0.02 . 2 . . . . 42 ILE HG13 . 11019 1
420 . 1 1 42 42 ILE HD11 H 1 0.752 0.02 . 1 . . . . 42 ILE HD1 . 11019 1
421 . 1 1 42 42 ILE HD12 H 1 0.752 0.02 . 1 . . . . 42 ILE HD1 . 11019 1
422 . 1 1 42 42 ILE HD13 H 1 0.752 0.02 . 1 . . . . 42 ILE HD1 . 11019 1
423 . 1 1 42 42 ILE CD1 C 13 10.496 0.4 . 1 . . . . 42 ILE CD1 . 11019 1
424 . 1 1 42 42 ILE C C 13 174.314 0.4 . 1 . . . . 42 ILE C . 11019 1
425 . 1 1 42 42 ILE HG12 H 1 1.156 0.02 . 2 . . . . 42 ILE HG12 . 11019 1
426 . 1 1 43 43 GLU N N 15 118.544 0.4 . 1 . . . . 43 GLU N . 11019 1
427 . 1 1 43 43 GLU H H 1 7.573 0.02 . 1 . . . . 43 GLU H . 11019 1
428 . 1 1 43 43 GLU CA C 13 56.130 0.4 . 1 . . . . 43 GLU CA . 11019 1
429 . 1 1 43 43 GLU HA H 1 4.044 0.02 . 1 . . . . 43 GLU HA . 11019 1
430 . 1 1 43 43 GLU CB C 13 28.264 0.4 . 1 . . . . 43 GLU CB . 11019 1
431 . 1 1 43 43 GLU HB3 H 1 1.968 0.02 . 2 . . . . 43 GLU HB3 . 11019 1
432 . 1 1 43 43 GLU CG C 13 33.531 0.4 . 1 . . . . 43 GLU CG . 11019 1
433 . 1 1 43 43 GLU HG3 H 1 2.056 0.02 . 2 . . . . 43 GLU HG3 . 11019 1
434 . 1 1 43 43 GLU C C 13 175.430 0.4 . 1 . . . . 43 GLU C . 11019 1
435 . 1 1 43 43 GLU HB2 H 1 2.015 0.02 . 2 . . . . 43 GLU HB2 . 11019 1
436 . 1 1 43 43 GLU HG2 H 1 2.335 0.02 . 2 . . . . 43 GLU HG2 . 11019 1
437 . 1 1 44 44 LYS N N 15 114.482 0.4 . 1 . . . . 44 LYS N . 11019 1
438 . 1 1 44 44 LYS H H 1 8.856 0.02 . 1 . . . . 44 LYS H . 11019 1
439 . 1 1 44 44 LYS CA C 13 53.835 0.4 . 1 . . . . 44 LYS CA . 11019 1
440 . 1 1 44 44 LYS HA H 1 4.460 0.02 . 1 . . . . 44 LYS HA . 11019 1
441 . 1 1 44 44 LYS CB C 13 32.784 0.4 . 1 . . . . 44 LYS CB . 11019 1
442 . 1 1 44 44 LYS HB3 H 1 1.759 0.02 . 2 . . . . 44 LYS HB3 . 11019 1
443 . 1 1 44 44 LYS CG C 13 22.485 0.4 . 1 . . . . 44 LYS CG . 11019 1
444 . 1 1 44 44 LYS HG3 H 1 1.419 0.02 . 2 . . . . 44 LYS HG3 . 11019 1
445 . 1 1 44 44 LYS CD C 13 26.560 0.4 . 1 . . . . 44 LYS CD . 11019 1
446 . 1 1 44 44 LYS HD3 H 1 1.584 0.02 . 2 . . . . 44 LYS HD3 . 11019 1
447 . 1 1 44 44 LYS CE C 13 39.362 0.4 . 1 . . . . 44 LYS CE . 11019 1
448 . 1 1 44 44 LYS HE3 H 1 2.888 0.02 . 2 . . . . 44 LYS HE3 . 11019 1
449 . 1 1 44 44 LYS C C 13 174.506 0.4 . 1 . . . . 44 LYS C . 11019 1
450 . 1 1 44 44 LYS HB2 H 1 1.928 0.02 . 2 . . . . 44 LYS HB2 . 11019 1
451 . 1 1 44 44 LYS HD2 H 1 1.584 0.02 . 2 . . . . 44 LYS HD2 . 11019 1
452 . 1 1 44 44 LYS HE2 H 1 2.888 0.02 . 2 . . . . 44 LYS HE2 . 11019 1
453 . 1 1 44 44 LYS HG2 H 1 1.275 0.02 . 2 . . . . 44 LYS HG2 . 11019 1
454 . 1 1 45 45 GLY N N 15 108.682 0.4 . 1 . . . . 45 GLY N . 11019 1
455 . 1 1 45 45 GLY H H 1 7.656 0.02 . 1 . . . . 45 GLY H . 11019 1
456 . 1 1 45 45 GLY CA C 13 41.400 0.4 . 1 . . . . 45 GLY CA . 11019 1
457 . 1 1 45 45 GLY HA3 H 1 4.574 0.02 . 2 . . . . 45 GLY HA3 . 11019 1
458 . 1 1 45 45 GLY C C 13 171.025 0.4 . 1 . . . . 45 GLY C . 11019 1
459 . 1 1 45 45 GLY HA2 H 1 3.808 0.02 . 2 . . . . 45 GLY HA2 . 11019 1
460 . 1 1 46 46 GLU N N 15 120.586 0.4 . 1 . . . . 46 GLU N . 11019 1
461 . 1 1 46 46 GLU H H 1 8.898 0.02 . 1 . . . . 46 GLU H . 11019 1
462 . 1 1 46 46 GLU CA C 13 58.478 0.4 . 1 . . . . 46 GLU CA . 11019 1
463 . 1 1 46 46 GLU HA H 1 3.396 0.02 . 1 . . . . 46 GLU HA . 11019 1
464 . 1 1 46 46 GLU CB C 13 26.876 0.4 . 1 . . . . 46 GLU CB . 11019 1
465 . 1 1 46 46 GLU HB3 H 1 1.830 0.02 . 2 . . . . 46 GLU HB3 . 11019 1
466 . 1 1 46 46 GLU CG C 13 33.579 0.4 . 1 . . . . 46 GLU CG . 11019 1
467 . 1 1 46 46 GLU HG3 H 1 2.071 0.02 . 2 . . . . 46 GLU HG3 . 11019 1
468 . 1 1 46 46 GLU C C 13 175.871 0.4 . 1 . . . . 46 GLU C . 11019 1
469 . 1 1 46 46 GLU HB2 H 1 1.947 0.02 . 2 . . . . 46 GLU HB2 . 11019 1
470 . 1 1 46 46 GLU HG2 H 1 2.071 0.02 . 2 . . . . 46 GLU HG2 . 11019 1
471 . 1 1 47 47 GLU N N 15 118.676 0.4 . 1 . . . . 47 GLU N . 11019 1
472 . 1 1 47 47 GLU H H 1 9.565 0.02 . 1 . . . . 47 GLU H . 11019 1
473 . 1 1 47 47 GLU CA C 13 55.924 0.4 . 1 . . . . 47 GLU CA . 11019 1
474 . 1 1 47 47 GLU HA H 1 3.914 0.02 . 1 . . . . 47 GLU HA . 11019 1
475 . 1 1 47 47 GLU CB C 13 25.399 0.4 . 1 . . . . 47 GLU CB . 11019 1
476 . 1 1 47 47 GLU HB3 H 1 1.656 0.02 . 2 . . . . 47 GLU HB3 . 11019 1
477 . 1 1 47 47 GLU CG C 13 32.880 0.4 . 1 . . . . 47 GLU CG . 11019 1
478 . 1 1 47 47 GLU HG3 H 1 1.682 0.02 . 2 . . . . 47 GLU HG3 . 11019 1
479 . 1 1 47 47 GLU C C 13 174.378 0.4 . 1 . . . . 47 GLU C . 11019 1
480 . 1 1 47 47 GLU HB2 H 1 1.722 0.02 . 2 . . . . 47 GLU HB2 . 11019 1
481 . 1 1 47 47 GLU HG2 H 1 1.846 0.02 . 2 . . . . 47 GLU HG2 . 11019 1
482 . 1 1 48 48 HIS N N 15 117.538 0.4 . 1 . . . . 48 HIS N . 11019 1
483 . 1 1 48 48 HIS H H 1 7.463 0.02 . 1 . . . . 48 HIS H . 11019 1
484 . 1 1 48 48 HIS CA C 13 53.170 0.4 . 1 . . . . 48 HIS CA . 11019 1
485 . 1 1 48 48 HIS HA H 1 4.874 0.02 . 1 . . . . 48 HIS HA . 11019 1
486 . 1 1 48 48 HIS CB C 13 28.861 0.4 . 1 . . . . 48 HIS CB . 11019 1
487 . 1 1 48 48 HIS HB3 H 1 2.717 0.02 . 2 . . . . 48 HIS HB3 . 11019 1
488 . 1 1 48 48 HIS ND1 N 15 224.000 0.4 . 1 . . . . 48 HIS ND1 . 11019 1
489 . 1 1 48 48 HIS NE2 N 15 176.500 0.4 . 1 . . . . 48 HIS NE2 . 11019 1
490 . 1 1 48 48 HIS HD2 H 1 7.134 0.02 . 1 . . . . 48 HIS HD2 . 11019 1
491 . 1 1 48 48 HIS HE1 H 1 7.752 0.02 . 1 . . . . 48 HIS HE1 . 11019 1
492 . 1 1 48 48 HIS C C 13 173.542 0.4 . 1 . . . . 48 HIS C . 11019 1
493 . 1 1 48 48 HIS HB2 H 1 3.344 0.02 . 2 . . . . 48 HIS HB2 . 11019 1
494 . 1 1 49 49 CYS N N 15 115.970 0.4 . 1 . . . . 49 CYSS N . 11019 1
495 . 1 1 49 49 CYS H H 1 7.446 0.02 . 1 . . . . 49 CYSS H . 11019 1
496 . 1 1 49 49 CYS CA C 13 51.601 0.4 . 1 . . . . 49 CYSS CA . 11019 1
497 . 1 1 49 49 CYS HA H 1 5.041 0.02 . 1 . . . . 49 CYSS HA . 11019 1
498 . 1 1 49 49 CYS CB C 13 39.508 0.4 . 1 . . . . 49 CYSS CB . 11019 1
499 . 1 1 49 49 CYS HB2 H 1 3.181 0.02 . 2 . . . . 49 CYSS HB2 . 11019 1
500 . 1 1 49 49 CYS HB3 H 1 2.372 0.02 . 2 . . . . 49 CYSS HB3 . 11019 1
501 . 1 1 49 49 CYS C C 13 173.888 0.4 . 1 . . . . 49 CYSS C . 11019 1
502 . 1 1 50 50 GLY N N 15 113.108 0.4 . 1 . . . . 50 GLY N . 11019 1
503 . 1 1 50 50 GLY H H 1 9.227 0.02 . 1 . . . . 50 GLY H . 11019 1
504 . 1 1 50 50 GLY CA C 13 45.489 0.4 . 1 . . . . 50 GLY CA . 11019 1
505 . 1 1 50 50 GLY HA3 H 1 3.696 0.02 . 2 . . . . 50 GLY HA3 . 11019 1
506 . 1 1 50 50 GLY C C 13 172.592 0.4 . 1 . . . . 50 GLY C . 11019 1
507 . 1 1 50 50 GLY HA2 H 1 4.081 0.02 . 2 . . . . 50 GLY HA2 . 11019 1
508 . 1 1 51 51 HIS CA C 13 56.434 0.4 . 1 . . . . 51 HIS CA . 11019 1
509 . 1 1 51 51 HIS HA H 1 4.481 0.02 . 1 . . . . 51 HIS HA . 11019 1
510 . 1 1 51 51 HIS CB C 13 26.015 0.4 . 1 . . . . 51 HIS CB . 11019 1
511 . 1 1 51 51 HIS HB3 H 1 3.061 0.02 . 2 . . . . 51 HIS HB3 . 11019 1
512 . 1 1 51 51 HIS ND1 N 15 239.800 0.4 . 1 . . . . 51 HIS ND1 . 11019 1
513 . 1 1 51 51 HIS NE2 N 15 171.100 0.4 . 1 . . . . 51 HIS NE2 . 11019 1
514 . 1 1 51 51 HIS HD2 H 1 6.962 0.02 . 1 . . . . 51 HIS HD2 . 11019 1
515 . 1 1 51 51 HIS HE1 H 1 7.855 0.02 . 1 . . . . 51 HIS HE1 . 11019 1
516 . 1 1 51 51 HIS HB2 H 1 3.061 0.02 . 2 . . . . 51 HIS HB2 . 11019 1
517 . 1 1 52 52 LEU N N 15 122.096 0.4 . 1 . . . . 52 LEU N . 11019 1
518 . 1 1 52 52 LEU H H 1 6.738 0.02 . 1 . . . . 52 LEU H . 11019 1
519 . 1 1 52 52 LEU CA C 13 53.709 0.4 . 1 . . . . 52 LEU CA . 11019 1
520 . 1 1 52 52 LEU HA H 1 4.110 0.02 . 1 . . . . 52 LEU HA . 11019 1
521 . 1 1 52 52 LEU CB C 13 38.938 0.4 . 1 . . . . 52 LEU CB . 11019 1
522 . 1 1 52 52 LEU HB3 H 1 1.281 0.02 . 2 . . . . 52 LEU HB3 . 11019 1
523 . 1 1 52 52 LEU CG C 13 23.506 0.4 . 1 . . . . 52 LEU CG . 11019 1
524 . 1 1 52 52 LEU HG H 1 0.769 0.02 . 1 . . . . 52 LEU HG . 11019 1
525 . 1 1 52 52 LEU HD11 H 1 0.660 0.02 . 2 . . . . 52 LEU HD1 . 11019 1
526 . 1 1 52 52 LEU HD12 H 1 0.660 0.02 . 2 . . . . 52 LEU HD1 . 11019 1
527 . 1 1 52 52 LEU HD13 H 1 0.660 0.02 . 2 . . . . 52 LEU HD1 . 11019 1
528 . 1 1 52 52 LEU HD21 H 1 0.650 0.02 . 2 . . . . 52 LEU HD2 . 11019 1
529 . 1 1 52 52 LEU HD22 H 1 0.650 0.02 . 2 . . . . 52 LEU HD2 . 11019 1
530 . 1 1 52 52 LEU HD23 H 1 0.650 0.02 . 2 . . . . 52 LEU HD2 . 11019 1
531 . 1 1 52 52 LEU CD1 C 13 19.759 0.4 . 1 . . . . 52 LEU CD1 . 11019 1
532 . 1 1 52 52 LEU CD2 C 13 19.527 0.4 . 1 . . . . 52 LEU CD2 . 11019 1
533 . 1 1 52 52 LEU C C 13 178.064 0.4 . 1 . . . . 52 LEU C . 11019 1
534 . 1 1 52 52 LEU HB2 H 1 1.532 0.02 . 2 . . . . 52 LEU HB2 . 11019 1
535 . 1 1 53 53 ILE N N 15 124.473 0.4 . 1 . . . . 53 ILE N . 11019 1
536 . 1 1 53 53 ILE H H 1 8.232 0.02 . 1 . . . . 53 ILE H . 11019 1
537 . 1 1 53 53 ILE CA C 13 63.451 0.4 . 1 . . . . 53 ILE CA . 11019 1
538 . 1 1 53 53 ILE HA H 1 3.383 0.02 . 1 . . . . 53 ILE HA . 11019 1
539 . 1 1 53 53 ILE CB C 13 35.848 0.4 . 1 . . . . 53 ILE CB . 11019 1
540 . 1 1 53 53 ILE HB H 1 1.929 0.02 . 1 . . . . 53 ILE HB . 11019 1
541 . 1 1 53 53 ILE HG21 H 1 0.902 0.02 . 1 . . . . 53 ILE HG2 . 11019 1
542 . 1 1 53 53 ILE HG22 H 1 0.902 0.02 . 1 . . . . 53 ILE HG2 . 11019 1
543 . 1 1 53 53 ILE HG23 H 1 0.902 0.02 . 1 . . . . 53 ILE HG2 . 11019 1
544 . 1 1 53 53 ILE CG2 C 13 13.858 0.4 . 1 . . . . 53 ILE CG2 . 11019 1
545 . 1 1 53 53 ILE CG1 C 13 26.971 0.4 . 1 . . . . 53 ILE CG1 . 11019 1
546 . 1 1 53 53 ILE HG13 H 1 1.584 0.02 . 2 . . . . 53 ILE HG13 . 11019 1
547 . 1 1 53 53 ILE HD11 H 1 0.761 0.02 . 1 . . . . 53 ILE HD1 . 11019 1
548 . 1 1 53 53 ILE HD12 H 1 0.761 0.02 . 1 . . . . 53 ILE HD1 . 11019 1
549 . 1 1 53 53 ILE HD13 H 1 0.761 0.02 . 1 . . . . 53 ILE HD1 . 11019 1
550 . 1 1 53 53 ILE CD1 C 13 11.332 0.4 . 1 . . . . 53 ILE CD1 . 11019 1
551 . 1 1 53 53 ILE C C 13 176.370 0.4 . 1 . . . . 53 ILE C . 11019 1
552 . 1 1 53 53 ILE HG12 H 1 0.920 0.02 . 2 . . . . 53 ILE HG12 . 11019 1
553 . 1 1 54 54 GLU N N 15 120.130 0.4 . 1 . . . . 54 GLU N . 11019 1
554 . 1 1 54 54 GLU H H 1 8.350 0.02 . 1 . . . . 54 GLU H . 11019 1
555 . 1 1 54 54 GLU CA C 13 56.157 0.4 . 1 . . . . 54 GLU CA . 11019 1
556 . 1 1 54 54 GLU HA H 1 4.031 0.02 . 1 . . . . 54 GLU HA . 11019 1
557 . 1 1 54 54 GLU CB C 13 26.063 0.4 . 1 . . . . 54 GLU CB . 11019 1
558 . 1 1 54 54 GLU HB3 H 1 1.990 0.02 . 2 . . . . 54 GLU HB3 . 11019 1
559 . 1 1 54 54 GLU CG C 13 33.428 0.4 . 1 . . . . 54 GLU CG . 11019 1
560 . 1 1 54 54 GLU HG3 H 1 2.341 0.02 . 2 . . . . 54 GLU HG3 . 11019 1
561 . 1 1 54 54 GLU C C 13 175.613 0.4 . 1 . . . . 54 GLU C . 11019 1
562 . 1 1 54 54 GLU HB2 H 1 1.990 0.02 . 2 . . . . 54 GLU HB2 . 11019 1
563 . 1 1 54 54 GLU HG2 H 1 2.231 0.02 . 2 . . . . 54 GLU HG2 . 11019 1
564 . 1 1 55 55 ALA N N 15 120.653 0.4 . 1 . . . . 55 ALA N . 11019 1
565 . 1 1 55 55 ALA H H 1 7.799 0.02 . 1 . . . . 55 ALA H . 11019 1
566 . 1 1 55 55 ALA CA C 13 52.293 0.4 . 1 . . . . 55 ALA CA . 11019 1
567 . 1 1 55 55 ALA HA H 1 4.119 0.02 . 1 . . . . 55 ALA HA . 11019 1
568 . 1 1 55 55 ALA HB1 H 1 1.434 0.02 . 1 . . . . 55 ALA HB . 11019 1
569 . 1 1 55 55 ALA HB2 H 1 1.434 0.02 . 1 . . . . 55 ALA HB . 11019 1
570 . 1 1 55 55 ALA HB3 H 1 1.434 0.02 . 1 . . . . 55 ALA HB . 11019 1
571 . 1 1 55 55 ALA CB C 13 14.891 0.4 . 1 . . . . 55 ALA CB . 11019 1
572 . 1 1 55 55 ALA C C 13 178.372 0.4 . 1 . . . . 55 ALA C . 11019 1
573 . 1 1 56 56 HIS N N 15 118.026 0.4 . 1 . . . . 56 HIS N . 11019 1
574 . 1 1 56 56 HIS H H 1 7.600 0.02 . 1 . . . . 56 HIS H . 11019 1
575 . 1 1 56 56 HIS CA C 13 56.786 0.4 . 1 . . . . 56 HIS CA . 11019 1
576 . 1 1 56 56 HIS HA H 1 4.477 0.02 . 1 . . . . 56 HIS HA . 11019 1
577 . 1 1 56 56 HIS CB C 13 28.476 0.4 . 1 . . . . 56 HIS CB . 11019 1
578 . 1 1 56 56 HIS HB3 H 1 2.658 0.02 . 2 . . . . 56 HIS HB3 . 11019 1
579 . 1 1 56 56 HIS ND1 N 15 219.800 0.4 . 1 . . . . 56 HIS ND1 . 11019 1
580 . 1 1 56 56 HIS NE2 N 15 178.800 0.4 . 1 . . . . 56 HIS NE2 . 11019 1
581 . 1 1 56 56 HIS HD2 H 1 6.821 0.02 . 1 . . . . 56 HIS HD2 . 11019 1
582 . 1 1 56 56 HIS HE1 H 1 7.761 0.02 . 1 . . . . 56 HIS HE1 . 11019 1
583 . 1 1 56 56 HIS C C 13 173.803 0.4 . 1 . . . . 56 HIS C . 11019 1
584 . 1 1 56 56 HIS HB2 H 1 3.127 0.02 . 2 . . . . 56 HIS HB2 . 11019 1
585 . 1 1 57 57 LYS N N 15 118.549 0.4 . 1 . . . . 57 LYS N . 11019 1
586 . 1 1 57 57 LYS H H 1 7.675 0.02 . 1 . . . . 57 LYS H . 11019 1
587 . 1 1 57 57 LYS CA C 13 57.804 0.4 . 1 . . . . 57 LYS CA . 11019 1
588 . 1 1 57 57 LYS HA H 1 3.559 0.02 . 1 . . . . 57 LYS HA . 11019 1
589 . 1 1 57 57 LYS CB C 13 29.280 0.4 . 1 . . . . 57 LYS CB . 11019 1
590 . 1 1 57 57 LYS HB3 H 1 1.660 0.02 . 2 . . . . 57 LYS HB3 . 11019 1
591 . 1 1 57 57 LYS CG C 13 22.903 0.4 . 1 . . . . 57 LYS CG . 11019 1
592 . 1 1 57 57 LYS HG3 H 1 1.605 0.02 . 2 . . . . 57 LYS HG3 . 11019 1
593 . 1 1 57 57 LYS CD C 13 26.969 0.4 . 1 . . . . 57 LYS CD . 11019 1
594 . 1 1 57 57 LYS HD3 H 1 1.581 0.02 . 2 . . . . 57 LYS HD3 . 11019 1
595 . 1 1 57 57 LYS CE C 13 39.143 0.4 . 1 . . . . 57 LYS CE . 11019 1
596 . 1 1 57 57 LYS HE3 H 1 2.821 0.02 . 2 . . . . 57 LYS HE3 . 11019 1
597 . 1 1 57 57 LYS C C 13 176.358 0.4 . 1 . . . . 57 LYS C . 11019 1
598 . 1 1 57 57 LYS HB2 H 1 1.925 0.02 . 2 . . . . 57 LYS HB2 . 11019 1
599 . 1 1 57 57 LYS HD2 H 1 1.581 0.02 . 2 . . . . 57 LYS HD2 . 11019 1
600 . 1 1 57 57 LYS HE2 H 1 2.725 0.02 . 2 . . . . 57 LYS HE2 . 11019 1
601 . 1 1 57 57 LYS HG2 H 1 1.209 0.02 . 2 . . . . 57 LYS HG2 . 11019 1
602 . 1 1 58 58 GLU N N 15 117.855 0.4 . 1 . . . . 58 GLU N . 11019 1
603 . 1 1 58 58 GLU H H 1 8.449 0.02 . 1 . . . . 58 GLU H . 11019 1
604 . 1 1 58 58 GLU CA C 13 56.418 0.4 . 1 . . . . 58 GLU CA . 11019 1
605 . 1 1 58 58 GLU HA H 1 3.931 0.02 . 1 . . . . 58 GLU HA . 11019 1
606 . 1 1 58 58 GLU CB C 13 26.492 0.4 . 1 . . . . 58 GLU CB . 11019 1
607 . 1 1 58 58 GLU HB3 H 1 1.954 0.02 . 2 . . . . 58 GLU HB3 . 11019 1
608 . 1 1 58 58 GLU CG C 13 33.268 0.4 . 1 . . . . 58 GLU CG . 11019 1
609 . 1 1 58 58 GLU HG3 H 1 2.261 0.02 . 2 . . . . 58 GLU HG3 . 11019 1
610 . 1 1 58 58 GLU C C 13 175.892 0.4 . 1 . . . . 58 GLU C . 11019 1
611 . 1 1 58 58 GLU HB2 H 1 1.954 0.02 . 2 . . . . 58 GLU HB2 . 11019 1
612 . 1 1 58 58 GLU HG2 H 1 2.215 0.02 . 2 . . . . 58 GLU HG2 . 11019 1
613 . 1 1 59 59 CYS N N 15 121.245 0.4 . 1 . . . . 59 CYSS N . 11019 1
614 . 1 1 59 59 CYS H H 1 7.595 0.02 . 1 . . . . 59 CYSS H . 11019 1
615 . 1 1 59 59 CYS CA C 13 57.849 0.4 . 1 . . . . 59 CYSS CA . 11019 1
616 . 1 1 59 59 CYS HA H 1 4.072 0.02 . 1 . . . . 59 CYSS HA . 11019 1
617 . 1 1 59 59 CYS CB C 13 38.821 0.4 . 1 . . . . 59 CYSS CB . 11019 1
618 . 1 1 59 59 CYS HB2 H 1 3.098 0.02 . 2 . . . . 59 CYSS HB2 . 11019 1
619 . 1 1 59 59 CYS HB3 H 1 3.313 0.02 . 2 . . . . 59 CYSS HB3 . 11019 1
620 . 1 1 59 59 CYS C C 13 174.116 0.4 . 1 . . . . 59 CYSS C . 11019 1
621 . 1 1 60 60 MET N N 15 119.335 0.4 . 1 . . . . 60 MET N . 11019 1
622 . 1 1 60 60 MET H H 1 7.845 0.02 . 1 . . . . 60 MET H . 11019 1
623 . 1 1 60 60 MET CA C 13 53.916 0.4 . 1 . . . . 60 MET CA . 11019 1
624 . 1 1 60 60 MET HA H 1 4.162 0.02 . 1 . . . . 60 MET HA . 11019 1
625 . 1 1 60 60 MET CB C 13 28.230 0.4 . 1 . . . . 60 MET CB . 11019 1
626 . 1 1 60 60 MET HB3 H 1 1.666 0.02 . 2 . . . . 60 MET HB3 . 11019 1
627 . 1 1 60 60 MET CG C 13 27.928 0.4 . 1 . . . . 60 MET CG . 11019 1
628 . 1 1 60 60 MET HG3 H 1 1.909 0.02 . 2 . . . . 60 MET HG3 . 11019 1
629 . 1 1 60 60 MET C C 13 176.993 0.4 . 1 . . . . 60 MET C . 11019 1
630 . 1 1 60 60 MET HB2 H 1 1.801 0.02 . 2 . . . . 60 MET HB2 . 11019 1
631 . 1 1 60 60 MET HG2 H 1 1.909 0.02 . 2 . . . . 60 MET HG2 . 11019 1
632 . 1 1 61 61 ARG N N 15 121.784 0.4 . 1 . . . . 61 ARG N . 11019 1
633 . 1 1 61 61 ARG H H 1 8.707 0.02 . 1 . . . . 61 ARG H . 11019 1
634 . 1 1 61 61 ARG CA C 13 56.478 0.4 . 1 . . . . 61 ARG CA . 11019 1
635 . 1 1 61 61 ARG HA H 1 4.156 0.02 . 1 . . . . 61 ARG HA . 11019 1
636 . 1 1 61 61 ARG CB C 13 27.353 0.4 . 1 . . . . 61 ARG CB . 11019 1
637 . 1 1 61 61 ARG HB3 H 1 1.801 0.02 . 2 . . . . 61 ARG HB3 . 11019 1
638 . 1 1 61 61 ARG CG C 13 24.926 0.4 . 1 . . . . 61 ARG CG . 11019 1
639 . 1 1 61 61 ARG HG3 H 1 1.571 0.02 . 2 . . . . 61 ARG HG3 . 11019 1
640 . 1 1 61 61 ARG CD C 13 40.459 0.4 . 1 . . . . 61 ARG CD . 11019 1
641 . 1 1 61 61 ARG HD3 H 1 3.030 0.02 . 2 . . . . 61 ARG HD3 . 11019 1
642 . 1 1 61 61 ARG C C 13 178.202 0.4 . 1 . . . . 61 ARG C . 11019 1
643 . 1 1 61 61 ARG HB2 H 1 1.801 0.02 . 2 . . . . 61 ARG HB2 . 11019 1
644 . 1 1 61 61 ARG HD2 H 1 3.064 0.02 . 2 . . . . 61 ARG HD2 . 11019 1
645 . 1 1 61 61 ARG HG2 H 1 1.677 0.02 . 2 . . . . 61 ARG HG2 . 11019 1
646 . 1 1 62 62 ALA N N 15 122.367 0.4 . 1 . . . . 62 ALA N . 11019 1
647 . 1 1 62 62 ALA H H 1 7.807 0.02 . 1 . . . . 62 ALA H . 11019 1
648 . 1 1 62 62 ALA CA C 13 51.778 0.4 . 1 . . . . 62 ALA CA . 11019 1
649 . 1 1 62 62 ALA HA H 1 4.032 0.02 . 1 . . . . 62 ALA HA . 11019 1
650 . 1 1 62 62 ALA HB1 H 1 1.331 0.02 . 1 . . . . 62 ALA HB . 11019 1
651 . 1 1 62 62 ALA HB2 H 1 1.331 0.02 . 1 . . . . 62 ALA HB . 11019 1
652 . 1 1 62 62 ALA HB3 H 1 1.331 0.02 . 1 . . . . 62 ALA HB . 11019 1
653 . 1 1 62 62 ALA CB C 13 14.868 0.4 . 1 . . . . 62 ALA CB . 11019 1
654 . 1 1 62 62 ALA C C 13 176.352 0.4 . 1 . . . . 62 ALA C . 11019 1
655 . 1 1 63 63 LEU N N 15 116.579 0.4 . 1 . . . . 63 LEU N . 11019 1
656 . 1 1 63 63 LEU H H 1 7.159 0.02 . 1 . . . . 63 LEU H . 11019 1
657 . 1 1 63 63 LEU CA C 13 52.044 0.4 . 1 . . . . 63 LEU CA . 11019 1
658 . 1 1 63 63 LEU HA H 1 4.205 0.02 . 1 . . . . 63 LEU HA . 11019 1
659 . 1 1 63 63 LEU CB C 13 40.209 0.4 . 1 . . . . 63 LEU CB . 11019 1
660 . 1 1 63 63 LEU HB3 H 1 1.528 0.02 . 2 . . . . 63 LEU HB3 . 11019 1
661 . 1 1 63 63 LEU CG C 13 24.531 0.4 . 1 . . . . 63 LEU CG . 11019 1
662 . 1 1 63 63 LEU HG H 1 1.853 0.02 . 1 . . . . 63 LEU HG . 11019 1
663 . 1 1 63 63 LEU HD11 H 1 0.818 0.02 . 2 . . . . 63 LEU HD1 . 11019 1
664 . 1 1 63 63 LEU HD12 H 1 0.818 0.02 . 2 . . . . 63 LEU HD1 . 11019 1
665 . 1 1 63 63 LEU HD13 H 1 0.818 0.02 . 2 . . . . 63 LEU HD1 . 11019 1
666 . 1 1 63 63 LEU HD21 H 1 1.071 0.02 . 2 . . . . 63 LEU HD2 . 11019 1
667 . 1 1 63 63 LEU HD22 H 1 1.071 0.02 . 2 . . . . 63 LEU HD2 . 11019 1
668 . 1 1 63 63 LEU HD23 H 1 1.071 0.02 . 2 . . . . 63 LEU HD2 . 11019 1
669 . 1 1 63 63 LEU CD1 C 13 19.843 0.4 . 1 . . . . 63 LEU CD1 . 11019 1
670 . 1 1 63 63 LEU CD2 C 13 23.780 0.4 . 1 . . . . 63 LEU CD2 . 11019 1
671 . 1 1 63 63 LEU C C 13 174.219 0.4 . 1 . . . . 63 LEU C . 11019 1
672 . 1 1 63 63 LEU HB2 H 1 1.924 0.02 . 2 . . . . 63 LEU HB2 . 11019 1
673 . 1 1 64 64 GLY N N 15 105.680 0.4 . 1 . . . . 64 GLY N . 11019 1
674 . 1 1 64 64 GLY H H 1 7.734 0.02 . 1 . . . . 64 GLY H . 11019 1
675 . 1 1 64 64 GLY CA C 13 42.110 0.4 . 1 . . . . 64 GLY CA . 11019 1
676 . 1 1 64 64 GLY HA3 H 1 3.923 0.02 . 2 . . . . 64 GLY HA3 . 11019 1
677 . 1 1 64 64 GLY C C 13 171.536 0.4 . 1 . . . . 64 GLY C . 11019 1
678 . 1 1 64 64 GLY HA2 H 1 3.500 0.02 . 2 . . . . 64 GLY HA2 . 11019 1
679 . 1 1 65 65 PHE N N 15 119.549 0.4 . 1 . . . . 65 PHE N . 11019 1
680 . 1 1 65 65 PHE H H 1 7.704 0.02 . 1 . . . . 65 PHE H . 11019 1
681 . 1 1 65 65 PHE CA C 13 54.498 0.4 . 1 . . . . 65 PHE CA . 11019 1
682 . 1 1 65 65 PHE HA H 1 4.535 0.02 . 1 . . . . 65 PHE HA . 11019 1
683 . 1 1 65 65 PHE CB C 13 36.947 0.4 . 1 . . . . 65 PHE CB . 11019 1
684 . 1 1 65 65 PHE HB3 H 1 2.594 0.02 . 2 . . . . 65 PHE HB3 . 11019 1
685 . 1 1 65 65 PHE HD1 H 1 7.240 0.02 . 1 . . . . 65 PHE HD1 . 11019 1
686 . 1 1 65 65 PHE HE1 H 1 7.160 0.02 . 1 . . . . 65 PHE HE1 . 11019 1
687 . 1 1 65 65 PHE HZ H 1 7.120 0.02 . 1 . . . . 65 PHE HZ . 11019 1
688 . 1 1 65 65 PHE HE2 H 1 7.160 0.02 . 1 . . . . 65 PHE HE2 . 11019 1
689 . 1 1 65 65 PHE HD2 H 1 7.240 0.02 . 1 . . . . 65 PHE HD2 . 11019 1
690 . 1 1 65 65 PHE C C 13 172.423 0.4 . 1 . . . . 65 PHE C . 11019 1
691 . 1 1 65 65 PHE HB2 H 1 2.938 0.02 . 2 . . . . 65 PHE HB2 . 11019 1
692 . 1 1 66 66 LYS N N 15 123.711 0.4 . 1 . . . . 66 LYS N . 11019 1
693 . 1 1 66 66 LYS H H 1 8.493 0.02 . 1 . . . . 66 LYS H . 11019 1
694 . 1 1 66 66 LYS CA C 13 53.129 0.4 . 1 . . . . 66 LYS CA . 11019 1
695 . 1 1 66 66 LYS HA H 1 4.262 0.02 . 1 . . . . 66 LYS HA . 11019 1
696 . 1 1 66 66 LYS CB C 13 29.191 0.4 . 1 . . . . 66 LYS CB . 11019 1
697 . 1 1 66 66 LYS HB3 H 1 1.700 0.02 . 2 . . . . 66 LYS HB3 . 11019 1
698 . 1 1 66 66 LYS CG C 13 21.803 0.4 . 1 . . . . 66 LYS CG . 11019 1
699 . 1 1 66 66 LYS HG3 H 1 1.265 0.02 . 2 . . . . 66 LYS HG3 . 11019 1
700 . 1 1 66 66 LYS CD C 13 26.061 0.4 . 1 . . . . 66 LYS CD . 11019 1
701 . 1 1 66 66 LYS HD3 H 1 1.661 0.02 . 2 . . . . 66 LYS HD3 . 11019 1
702 . 1 1 66 66 LYS CE C 13 39.171 0.4 . 1 . . . . 66 LYS CE . 11019 1
703 . 1 1 66 66 LYS HE3 H 1 2.920 0.02 . 2 . . . . 66 LYS HE3 . 11019 1
704 . 1 1 66 66 LYS C C 13 172.406 0.4 . 1 . . . . 66 LYS C . 11019 1
705 . 1 1 66 66 LYS HB2 H 1 1.700 0.02 . 2 . . . . 66 LYS HB2 . 11019 1
706 . 1 1 66 66 LYS HD2 H 1 1.661 0.02 . 2 . . . . 66 LYS HD2 . 11019 1
707 . 1 1 66 66 LYS HE2 H 1 2.920 0.02 . 2 . . . . 66 LYS HE2 . 11019 1
708 . 1 1 66 66 LYS HG2 H 1 1.374 0.02 . 2 . . . . 66 LYS HG2 . 11019 1
709 . 1 1 67 67 ILE N N 15 127.610 0.4 . 1 . . . . 67 ILE N . 11019 1
710 . 1 1 67 67 ILE H H 1 7.568 0.02 . 1 . . . . 67 ILE H . 11019 1
711 . 1 1 67 67 ILE CA C 13 58.527 0.4 . 1 . . . . 67 ILE CA . 11019 1
712 . 1 1 67 67 ILE HA H 1 4.020 0.02 . 1 . . . . 67 ILE HA . 11019 1
713 . 1 1 67 67 ILE CB C 13 36.969 0.4 . 1 . . . . 67 ILE CB . 11019 1
714 . 1 1 67 67 ILE HB H 1 1.721 0.02 . 1 . . . . 67 ILE HB . 11019 1
715 . 1 1 67 67 ILE HG21 H 1 0.743 0.02 . 1 . . . . 67 ILE HG2 . 11019 1
716 . 1 1 67 67 ILE HG22 H 1 0.743 0.02 . 1 . . . . 67 ILE HG2 . 11019 1
717 . 1 1 67 67 ILE HG23 H 1 0.743 0.02 . 1 . . . . 67 ILE HG2 . 11019 1
718 . 1 1 67 67 ILE CG2 C 13 15.161 0.4 . 1 . . . . 67 ILE CG2 . 11019 1
719 . 1 1 67 67 ILE CG1 C 13 24.677 0.4 . 1 . . . . 67 ILE CG1 . 11019 1
720 . 1 1 67 67 ILE HG13 H 1 1.021 0.02 . 2 . . . . 67 ILE HG13 . 11019 1
721 . 1 1 67 67 ILE HD11 H 1 0.764 0.02 . 1 . . . . 67 ILE HD1 . 11019 1
722 . 1 1 67 67 ILE HD12 H 1 0.764 0.02 . 1 . . . . 67 ILE HD1 . 11019 1
723 . 1 1 67 67 ILE HD13 H 1 0.764 0.02 . 1 . . . . 67 ILE HD1 . 11019 1
724 . 1 1 67 67 ILE CD1 C 13 11.513 0.4 . 1 . . . . 67 ILE CD1 . 11019 1
725 . 1 1 67 67 ILE C C 13 177.412 0.4 . 1 . . . . 67 ILE C . 11019 1
726 . 1 1 67 67 ILE HG12 H 1 1.252 0.02 . 2 . . . . 67 ILE HG12 . 11019 1
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