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 25718
_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 0.001
_Assigned_chem_shift_list.Chem_shift_13C_err 0.01
_Assigned_chem_shift_list.Chem_shift_15N_err 0.03
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 25718 1
2 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 25718 1
3 '3D 1H-15N NOESY' 1 $sample_1 isotropic 25718 1
7 '3D HNCO' 1 $sample_1 isotropic 25718 1
12 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 25718 1
13 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 25718 1
14 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 25718 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
3 $Olivia . . 25718 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 3 3 HIS HA H 1 4.637 0.001 . . . . . A 43 HIS HA . 25718 1
2 . 1 1 3 3 HIS HB2 H 1 3.131 0.001 . . . . . A 43 HIS HB2 . 25718 1
3 . 1 1 3 3 HIS HB3 H 1 3.131 0.001 . . . . . A 43 HIS HB3 . 25718 1
4 . 1 1 3 3 HIS C C 13 175.296 0.01 . . . . . A 43 HIS C . 25718 1
5 . 1 1 3 3 HIS CA C 13 56.308 0.01 . . . . . A 43 HIS CA . 25718 1
6 . 1 1 3 3 HIS CB C 13 30.643 0.01 . . . . . A 43 HIS CB . 25718 1
7 . 1 1 4 4 MET H H 1 8.372 0.001 . . . . . A 44 MET H . 25718 1
8 . 1 1 4 4 MET HA H 1 4.584 0.001 . . . . . A 44 MET HA . 25718 1
9 . 1 1 4 4 MET HB2 H 1 2.055 0.001 . . . . . A 44 MET HB2 . 25718 1
10 . 1 1 4 4 MET HB3 H 1 2.055 0.001 . . . . . A 44 MET HB3 . 25718 1
11 . 1 1 4 4 MET HG2 H 1 2.571 0.001 . . . . . A 44 MET HG2 . 25718 1
12 . 1 1 4 4 MET HG3 H 1 2.571 0.001 . . . . . A 44 MET HG3 . 25718 1
13 . 1 1 4 4 MET C C 13 176.153 0.01 . . . . . A 44 MET C . 25718 1
14 . 1 1 4 4 MET CA C 13 55.469 0.01 . . . . . A 44 MET CA . 25718 1
15 . 1 1 4 4 MET CB C 13 33.180 0.01 . . . . . A 44 MET CB . 25718 1
16 . 1 1 4 4 MET CG C 13 31.937 0.01 . . . . . A 44 MET CG . 25718 1
17 . 1 1 4 4 MET N N 15 122.574 0.03 . . . . . A 44 MET N . 25718 1
18 . 1 1 5 5 THR H H 1 8.023 0.001 . . . . . A 45 THR H . 25718 1
19 . 1 1 5 5 THR HA H 1 4.401 0.001 . . . . . A 45 THR HA . 25718 1
20 . 1 1 5 5 THR HB H 1 4.414 0.001 . . . . . A 45 THR HB . 25718 1
21 . 1 1 5 5 THR HG21 H 1 1.301 0.001 . . . . . A 45 THR HG21 . 25718 1
22 . 1 1 5 5 THR HG22 H 1 1.301 0.001 . . . . . A 45 THR HG22 . 25718 1
23 . 1 1 5 5 THR HG23 H 1 1.301 0.001 . . . . . A 45 THR HG23 . 25718 1
24 . 1 1 5 5 THR C C 13 174.919 0.01 . . . . . A 45 THR C . 25718 1
25 . 1 1 5 5 THR CA C 13 61.834 0.01 . . . . . A 45 THR CA . 25718 1
26 . 1 1 5 5 THR CB C 13 70.096 0.01 . . . . . A 45 THR CB . 25718 1
27 . 1 1 5 5 THR CG2 C 13 21.910 0.01 . . . . . A 45 THR CG2 . 25718 1
28 . 1 1 5 5 THR N N 15 115.263 0.03 . . . . . A 45 THR N . 25718 1
29 . 1 1 6 6 SER H H 1 8.650 0.001 . . . . . A 46 SER H . 25718 1
30 . 1 1 6 6 SER HA H 1 4.384 0.001 . . . . . A 46 SER HA . 25718 1
31 . 1 1 6 6 SER HB2 H 1 4.090 0.001 . . . . . A 46 SER HB2 . 25718 1
32 . 1 1 6 6 SER HB3 H 1 3.986 0.001 . . . . . A 46 SER HB3 . 25718 1
33 . 1 1 6 6 SER C C 13 175.677 0.01 . . . . . A 46 SER C . 25718 1
34 . 1 1 6 6 SER CA C 13 59.792 0.01 . . . . . A 46 SER CA . 25718 1
35 . 1 1 6 6 SER CB C 13 63.585 0.01 . . . . . A 46 SER CB . 25718 1
36 . 1 1 6 6 SER N N 15 118.274 0.03 . . . . . A 46 SER N . 25718 1
37 . 1 1 7 7 GLU H H 1 8.679 0.001 . . . . . A 47 GLU H . 25718 1
38 . 1 1 7 7 GLU HA H 1 4.084 0.001 . . . . . A 47 GLU HA . 25718 1
39 . 1 1 7 7 GLU HB2 H 1 2.043 0.001 . . . . . A 47 GLU HB2 . 25718 1
40 . 1 1 7 7 GLU HB3 H 1 1.962 0.001 . . . . . A 47 GLU HB3 . 25718 1
41 . 1 1 7 7 GLU HG2 H 1 2.300 0.001 . . . . . A 47 GLU HG2 . 25718 1
42 . 1 1 7 7 GLU HG3 H 1 2.300 0.001 . . . . . A 47 GLU HG3 . 25718 1
43 . 1 1 7 7 GLU C C 13 178.669 0.01 . . . . . A 47 GLU C . 25718 1
44 . 1 1 7 7 GLU CA C 13 59.579 0.01 . . . . . A 47 GLU CA . 25718 1
45 . 1 1 7 7 GLU CB C 13 29.625 0.01 . . . . . A 47 GLU CB . 25718 1
46 . 1 1 7 7 GLU CG C 13 36.597 0.01 . . . . . A 47 GLU CG . 25718 1
47 . 1 1 7 7 GLU N N 15 122.421 0.03 . . . . . A 47 GLU N . 25718 1
48 . 1 1 8 8 LEU H H 1 8.044 0.001 . . . . . A 48 LEU H . 25718 1
49 . 1 1 8 8 LEU HA H 1 4.096 0.001 . . . . . A 48 LEU HA . 25718 1
50 . 1 1 8 8 LEU HB2 H 1 1.821 0.001 . . . . . A 48 LEU HB2 . 25718 1
51 . 1 1 8 8 LEU HB3 H 1 1.683 0.001 . . . . . A 48 LEU HB3 . 25718 1
52 . 1 1 8 8 LEU HG H 1 1.612 0.001 . . . . . A 48 LEU HG . 25718 1
53 . 1 1 8 8 LEU HD11 H 1 0.977 0.001 . . . . . A 48 LEU HD11 . 25718 1
54 . 1 1 8 8 LEU HD12 H 1 0.977 0.001 . . . . . A 48 LEU HD12 . 25718 1
55 . 1 1 8 8 LEU HD13 H 1 0.977 0.001 . . . . . A 48 LEU HD13 . 25718 1
56 . 1 1 8 8 LEU HD21 H 1 0.965 0.001 . . . . . A 48 LEU HD21 . 25718 1
57 . 1 1 8 8 LEU HD22 H 1 0.965 0.001 . . . . . A 48 LEU HD22 . 25718 1
58 . 1 1 8 8 LEU HD23 H 1 0.965 0.001 . . . . . A 48 LEU HD23 . 25718 1
59 . 1 1 8 8 LEU C C 13 178.047 0.01 . . . . . A 48 LEU C . 25718 1
60 . 1 1 8 8 LEU CA C 13 58.015 0.01 . . . . . A 48 LEU CA . 25718 1
61 . 1 1 8 8 LEU CB C 13 41.619 0.01 . . . . . A 48 LEU CB . 25718 1
62 . 1 1 8 8 LEU CG C 13 27.349 0.01 . . . . . A 48 LEU CG . 25718 1
63 . 1 1 8 8 LEU CD1 C 13 25.654 0.01 . . . . . A 48 LEU CD1 . 25718 1
64 . 1 1 8 8 LEU CD2 C 13 24.090 0.01 . . . . . A 48 LEU CD2 . 25718 1
65 . 1 1 8 8 LEU N N 15 120.752 0.03 . . . . . A 48 LEU N . 25718 1
66 . 1 1 9 9 GLN H H 1 8.210 0.001 . . . . . A 49 GLN H . 25718 1
67 . 1 1 9 9 GLN HA H 1 3.883 0.001 . . . . . A 49 GLN HA . 25718 1
68 . 1 1 9 9 GLN HB2 H 1 2.153 0.001 . . . . . A 49 GLN HB2 . 25718 1
69 . 1 1 9 9 GLN HB3 H 1 2.153 0.001 . . . . . A 49 GLN HB3 . 25718 1
70 . 1 1 9 9 GLN HG2 H 1 2.431 0.001 . . . . . A 49 GLN HG2 . 25718 1
71 . 1 1 9 9 GLN HG3 H 1 2.431 0.001 . . . . . A 49 GLN HG3 . 25718 1
72 . 1 1 9 9 GLN HE21 H 1 7.758 0.001 . . . . . A 49 GLN HE21 . 25718 1
73 . 1 1 9 9 GLN HE22 H 1 6.835 0.001 . . . . . A 49 GLN HE22 . 25718 1
74 . 1 1 9 9 GLN C C 13 178.154 0.01 . . . . . A 49 GLN C . 25718 1
75 . 1 1 9 9 GLN CA C 13 58.823 0.01 . . . . . A 49 GLN CA . 25718 1
76 . 1 1 9 9 GLN CB C 13 28.455 0.01 . . . . . A 49 GLN CB . 25718 1
77 . 1 1 9 9 GLN CG C 13 33.723 0.01 . . . . . A 49 GLN CG . 25718 1
78 . 1 1 9 9 GLN CD C 13 180.174 0.01 . . . . . A 49 GLN CD . 25718 1
79 . 1 1 9 9 GLN N N 15 118.553 0.03 . . . . . A 49 GLN N . 25718 1
80 . 1 1 9 9 GLN NE2 N 15 113.963 0.03 . . . . . A 49 GLN NE2 . 25718 1
81 . 1 1 10 10 MET H H 1 8.105 0.001 . . . . . A 50 MET H . 25718 1
82 . 1 1 10 10 MET HA H 1 4.249 0.001 . . . . . A 50 MET HA . 25718 1
83 . 1 1 10 10 MET HB2 H 1 2.216 0.001 . . . . . A 50 MET HB2 . 25718 1
84 . 1 1 10 10 MET HB3 H 1 2.124 0.001 . . . . . A 50 MET HB3 . 25718 1
85 . 1 1 10 10 MET HG2 H 1 2.773 0.001 . . . . . A 50 MET HG2 . 25718 1
86 . 1 1 10 10 MET HG3 H 1 2.620 0.001 . . . . . A 50 MET HG3 . 25718 1
87 . 1 1 10 10 MET HE1 H 1 2.059 0.001 . . . . . A 50 MET HE1 . 25718 1
88 . 1 1 10 10 MET HE2 H 1 2.059 0.001 . . . . . A 50 MET HE2 . 25718 1
89 . 1 1 10 10 MET HE3 H 1 2.059 0.001 . . . . . A 50 MET HE3 . 25718 1
90 . 1 1 10 10 MET C C 13 179.134 0.01 . . . . . A 50 MET C . 25718 1
91 . 1 1 10 10 MET CA C 13 58.865 0.01 . . . . . A 50 MET CA . 25718 1
92 . 1 1 10 10 MET CB C 13 32.662 0.01 . . . . . A 50 MET CB . 25718 1
93 . 1 1 10 10 MET CG C 13 32.224 0.01 . . . . . A 50 MET CG . 25718 1
94 . 1 1 10 10 MET CE C 13 16.965 0.01 . . . . . A 50 MET CE . 25718 1
95 . 1 1 10 10 MET N N 15 117.143 0.03 . . . . . A 50 MET N . 25718 1
96 . 1 1 11 11 LYS H H 1 7.810 0.001 . . . . . A 51 LYS H . 25718 1
97 . 1 1 11 11 LYS HA H 1 4.154 0.001 . . . . . A 51 LYS HA . 25718 1
98 . 1 1 11 11 LYS HB2 H 1 2.128 0.001 . . . . . A 51 LYS HB2 . 25718 1
99 . 1 1 11 11 LYS HB3 H 1 1.984 0.001 . . . . . A 51 LYS HB3 . 25718 1
100 . 1 1 11 11 LYS HG2 H 1 1.741 0.001 . . . . . A 51 LYS HG2 . 25718 1
101 . 1 1 11 11 LYS HG3 H 1 1.546 0.001 . . . . . A 51 LYS HG3 . 25718 1
102 . 1 1 11 11 LYS HD2 H 1 1.746 0.001 . . . . . A 51 LYS HD2 . 25718 1
103 . 1 1 11 11 LYS HD3 H 1 1.746 0.001 . . . . . A 51 LYS HD3 . 25718 1
104 . 1 1 11 11 LYS HE2 H 1 2.967 0.001 . . . . . A 51 LYS HE2 . 25718 1
105 . 1 1 11 11 LYS HE3 H 1 2.967 0.001 . . . . . A 51 LYS HE3 . 25718 1
106 . 1 1 11 11 LYS C C 13 178.044 0.01 . . . . . A 51 LYS C . 25718 1
107 . 1 1 11 11 LYS CA C 13 59.337 0.01 . . . . . A 51 LYS CA . 25718 1
108 . 1 1 11 11 LYS CB C 13 32.872 0.01 . . . . . A 51 LYS CB . 25718 1
109 . 1 1 11 11 LYS CG C 13 25.662 0.01 . . . . . A 51 LYS CG . 25718 1
110 . 1 1 11 11 LYS CD C 13 29.677 0.01 . . . . . A 51 LYS CD . 25718 1
111 . 1 1 11 11 LYS CE C 13 42.215 0.01 . . . . . A 51 LYS CE . 25718 1
112 . 1 1 11 11 LYS N N 15 121.231 0.03 . . . . . A 51 LYS N . 25718 1
113 . 1 1 12 12 VAL H H 1 8.524 0.001 . . . . . A 52 VAL H . 25718 1
114 . 1 1 12 12 VAL HA H 1 3.711 0.001 . . . . . A 52 VAL HA . 25718 1
115 . 1 1 12 12 VAL HB H 1 2.232 0.001 . . . . . A 52 VAL HB . 25718 1
116 . 1 1 12 12 VAL HG11 H 1 0.864 0.001 . . . . . A 52 VAL HG11 . 25718 1
117 . 1 1 12 12 VAL HG12 H 1 0.864 0.001 . . . . . A 52 VAL HG12 . 25718 1
118 . 1 1 12 12 VAL HG13 H 1 0.864 0.001 . . . . . A 52 VAL HG13 . 25718 1
119 . 1 1 12 12 VAL HG21 H 1 0.994 0.001 . . . . . A 52 VAL HG21 . 25718 1
120 . 1 1 12 12 VAL HG22 H 1 0.994 0.001 . . . . . A 52 VAL HG22 . 25718 1
121 . 1 1 12 12 VAL HG23 H 1 0.994 0.001 . . . . . A 52 VAL HG23 . 25718 1
122 . 1 1 12 12 VAL C C 13 178.245 0.01 . . . . . A 52 VAL C . 25718 1
123 . 1 1 12 12 VAL CA C 13 67.398 0.01 . . . . . A 52 VAL CA . 25718 1
124 . 1 1 12 12 VAL CB C 13 31.583 0.01 . . . . . A 52 VAL CB . 25718 1
125 . 1 1 12 12 VAL CG1 C 13 22.638 0.01 . . . . . A 52 VAL CG1 . 25718 1
126 . 1 1 12 12 VAL CG2 C 13 21.238 0.01 . . . . . A 52 VAL CG2 . 25718 1
127 . 1 1 12 12 VAL N N 15 119.406 0.03 . . . . . A 52 VAL N . 25718 1
128 . 1 1 13 13 ASP H H 1 8.542 0.001 . . . . . A 53 ASP H . 25718 1
129 . 1 1 13 13 ASP HA H 1 4.385 0.001 . . . . . A 53 ASP HA . 25718 1
130 . 1 1 13 13 ASP HB2 H 1 2.856 0.001 . . . . . A 53 ASP HB2 . 25718 1
131 . 1 1 13 13 ASP HB3 H 1 2.669 0.001 . . . . . A 53 ASP HB3 . 25718 1
132 . 1 1 13 13 ASP C C 13 178.213 0.01 . . . . . A 53 ASP C . 25718 1
133 . 1 1 13 13 ASP CA C 13 57.792 0.01 . . . . . A 53 ASP CA . 25718 1
134 . 1 1 13 13 ASP CB C 13 40.634 0.01 . . . . . A 53 ASP CB . 25718 1
135 . 1 1 13 13 ASP N N 15 118.954 0.03 . . . . . A 53 ASP N . 25718 1
136 . 1 1 14 14 PHE H H 1 7.812 0.001 . . . . . A 54 PHE H . 25718 1
137 . 1 1 14 14 PHE HA H 1 4.076 0.001 . . . . . A 54 PHE HA . 25718 1
138 . 1 1 14 14 PHE HB2 H 1 3.115 0.001 . . . . . A 54 PHE HB2 . 25718 1
139 . 1 1 14 14 PHE HB3 H 1 3.115 0.001 . . . . . A 54 PHE HB3 . 25718 1
140 . 1 1 14 14 PHE HD1 H 1 6.337 0.001 . . . . . A 54 PHE HD1 . 25718 1
141 . 1 1 14 14 PHE HD2 H 1 6.337 0.001 . . . . . A 54 PHE HD2 . 25718 1
142 . 1 1 14 14 PHE HE1 H 1 6.995 0.001 . . . . . A 54 PHE HE1 . 25718 1
143 . 1 1 14 14 PHE HE2 H 1 6.995 0.001 . . . . . A 54 PHE HE2 . 25718 1
144 . 1 1 14 14 PHE HZ H 1 7.171 0.001 . . . . . A 54 PHE HZ . 25718 1
145 . 1 1 14 14 PHE C C 13 177.303 0.01 . . . . . A 54 PHE C . 25718 1
146 . 1 1 14 14 PHE CA C 13 61.491 0.01 . . . . . A 54 PHE CA . 25718 1
147 . 1 1 14 14 PHE CB C 13 38.906 0.01 . . . . . A 54 PHE CB . 25718 1
148 . 1 1 14 14 PHE CD1 C 13 131.454 0.01 . . . . . A 54 PHE CD1 . 25718 1
149 . 1 1 14 14 PHE CD2 C 13 131.454 0.01 . . . . . A 54 PHE CD2 . 25718 1
150 . 1 1 14 14 PHE CE1 C 13 131.578 0.01 . . . . . A 54 PHE CE1 . 25718 1
151 . 1 1 14 14 PHE CE2 C 13 131.578 0.01 . . . . . A 54 PHE CE2 . 25718 1
152 . 1 1 14 14 PHE CZ C 13 129.776 0.01 . . . . . A 54 PHE CZ . 25718 1
153 . 1 1 14 14 PHE N N 15 120.446 0.03 . . . . . A 54 PHE N . 25718 1
154 . 1 1 15 15 PHE H H 1 7.871 0.001 . . . . . A 55 PHE H . 25718 1
155 . 1 1 15 15 PHE HA H 1 4.260 0.001 . . . . . A 55 PHE HA . 25718 1
156 . 1 1 15 15 PHE HB2 H 1 3.015 0.001 . . . . . A 55 PHE HB2 . 25718 1
157 . 1 1 15 15 PHE HB3 H 1 2.968 0.001 . . . . . A 55 PHE HB3 . 25718 1
158 . 1 1 15 15 PHE HD1 H 1 7.350 0.001 . . . . . A 55 PHE HD1 . 25718 1
159 . 1 1 15 15 PHE HD2 H 1 7.350 0.001 . . . . . A 55 PHE HD2 . 25718 1
160 . 1 1 15 15 PHE HE1 H 1 7.259 0.001 . . . . . A 55 PHE HE1 . 25718 1
161 . 1 1 15 15 PHE HE2 H 1 7.259 0.001 . . . . . A 55 PHE HE2 . 25718 1
162 . 1 1 15 15 PHE HZ H 1 7.520 0.001 . . . . . A 55 PHE HZ . 25718 1
163 . 1 1 15 15 PHE C C 13 179.029 0.01 . . . . . A 55 PHE C . 25718 1
164 . 1 1 15 15 PHE CA C 13 62.113 0.01 . . . . . A 55 PHE CA . 25718 1
165 . 1 1 15 15 PHE CB C 13 39.567 0.01 . . . . . A 55 PHE CB . 25718 1
166 . 1 1 15 15 PHE CD1 C 13 132.285 0.01 . . . . . A 55 PHE CD1 . 25718 1
167 . 1 1 15 15 PHE CD2 C 13 132.285 0.01 . . . . . A 55 PHE CD2 . 25718 1
168 . 1 1 15 15 PHE CE1 C 13 129.857 0.01 . . . . . A 55 PHE CE1 . 25718 1
169 . 1 1 15 15 PHE CE2 C 13 129.857 0.01 . . . . . A 55 PHE CE2 . 25718 1
170 . 1 1 15 15 PHE CZ C 13 130.118 0.01 . . . . . A 55 PHE CZ . 25718 1
171 . 1 1 15 15 PHE N N 15 115.519 0.03 . . . . . A 55 PHE N . 25718 1
172 . 1 1 16 16 ARG H H 1 9.002 0.001 . . . . . A 56 ARG H . 25718 1
173 . 1 1 16 16 ARG HA H 1 4.631 0.001 . . . . . A 56 ARG HA . 25718 1
174 . 1 1 16 16 ARG HB2 H 1 2.047 0.001 . . . . . A 56 ARG HB2 . 25718 1
175 . 1 1 16 16 ARG HB3 H 1 1.965 0.001 . . . . . A 56 ARG HB3 . 25718 1
176 . 1 1 16 16 ARG HG2 H 1 1.943 0.001 . . . . . A 56 ARG HG2 . 25718 1
177 . 1 1 16 16 ARG HG3 H 1 1.699 0.001 . . . . . A 56 ARG HG3 . 25718 1
178 . 1 1 16 16 ARG HD2 H 1 3.423 0.001 . . . . . A 56 ARG HD2 . 25718 1
179 . 1 1 16 16 ARG HD3 H 1 3.216 0.001 . . . . . A 56 ARG HD3 . 25718 1
180 . 1 1 16 16 ARG C C 13 181.515 0.01 . . . . . A 56 ARG C . 25718 1
181 . 1 1 16 16 ARG CA C 13 58.934 0.01 . . . . . A 56 ARG CA . 25718 1
182 . 1 1 16 16 ARG CB C 13 29.625 0.01 . . . . . A 56 ARG CB . 25718 1
183 . 1 1 16 16 ARG CG C 13 27.556 0.01 . . . . . A 56 ARG CG . 25718 1
184 . 1 1 16 16 ARG CD C 13 43.151 0.01 . . . . . A 56 ARG CD . 25718 1
185 . 1 1 16 16 ARG N N 15 123.591 0.03 . . . . . A 56 ARG N . 25718 1
186 . 1 1 17 17 LYS H H 1 7.843 0.001 . . . . . A 57 LYS H . 25718 1
187 . 1 1 17 17 LYS HA H 1 4.023 0.001 . . . . . A 57 LYS HA . 25718 1
188 . 1 1 17 17 LYS HB2 H 1 1.848 0.001 . . . . . A 57 LYS HB2 . 25718 1
189 . 1 1 17 17 LYS HB3 H 1 1.848 0.001 . . . . . A 57 LYS HB3 . 25718 1
190 . 1 1 17 17 LYS HG2 H 1 1.505 0.001 . . . . . A 57 LYS HG2 . 25718 1
191 . 1 1 17 17 LYS HG3 H 1 1.445 0.001 . . . . . A 57 LYS HG3 . 25718 1
192 . 1 1 17 17 LYS HD2 H 1 1.636 0.001 . . . . . A 57 LYS HD2 . 25718 1
193 . 1 1 17 17 LYS HD3 H 1 1.636 0.001 . . . . . A 57 LYS HD3 . 25718 1
194 . 1 1 17 17 LYS HE2 H 1 2.953 0.001 . . . . . A 57 LYS HE2 . 25718 1
195 . 1 1 17 17 LYS HE3 H 1 2.953 0.001 . . . . . A 57 LYS HE3 . 25718 1
196 . 1 1 17 17 LYS C C 13 178.015 0.01 . . . . . A 57 LYS C . 25718 1
197 . 1 1 17 17 LYS CA C 13 58.893 0.01 . . . . . A 57 LYS CA . 25718 1
198 . 1 1 17 17 LYS CB C 13 31.893 0.01 . . . . . A 57 LYS CB . 25718 1
199 . 1 1 17 17 LYS CG C 13 25.497 0.01 . . . . . A 57 LYS CG . 25718 1
200 . 1 1 17 17 LYS CD C 13 29.092 0.01 . . . . . A 57 LYS CD . 25718 1
201 . 1 1 17 17 LYS CE C 13 42.210 0.01 . . . . . A 57 LYS CE . 25718 1
202 . 1 1 17 17 LYS N N 15 120.676 0.03 . . . . . A 57 LYS N . 25718 1
203 . 1 1 18 18 LEU H H 1 7.109 0.001 . . . . . A 58 LEU H . 25718 1
204 . 1 1 18 18 LEU HA H 1 4.260 0.001 . . . . . A 58 LEU HA . 25718 1
205 . 1 1 18 18 LEU HB2 H 1 2.084 0.001 . . . . . A 58 LEU HB2 . 25718 1
206 . 1 1 18 18 LEU HB3 H 1 1.840 0.001 . . . . . A 58 LEU HB3 . 25718 1
207 . 1 1 18 18 LEU HG H 1 1.514 0.001 . . . . . A 58 LEU HG . 25718 1
208 . 1 1 18 18 LEU HD11 H 1 0.825 0.001 . . . . . A 58 LEU HD11 . 25718 1
209 . 1 1 18 18 LEU HD12 H 1 0.825 0.001 . . . . . A 58 LEU HD12 . 25718 1
210 . 1 1 18 18 LEU HD13 H 1 0.825 0.001 . . . . . A 58 LEU HD13 . 25718 1
211 . 1 1 18 18 LEU HD21 H 1 0.770 0.001 . . . . . A 58 LEU HD21 . 25718 1
212 . 1 1 18 18 LEU HD22 H 1 0.770 0.001 . . . . . A 58 LEU HD22 . 25718 1
213 . 1 1 18 18 LEU HD23 H 1 0.770 0.001 . . . . . A 58 LEU HD23 . 25718 1
214 . 1 1 18 18 LEU C C 13 176.965 0.01 . . . . . A 58 LEU C . 25718 1
215 . 1 1 18 18 LEU CA C 13 55.064 0.01 . . . . . A 58 LEU CA . 25718 1
216 . 1 1 18 18 LEU CB C 13 42.422 0.01 . . . . . A 58 LEU CB . 25718 1
217 . 1 1 18 18 LEU CG C 13 26.608 0.01 . . . . . A 58 LEU CG . 25718 1
218 . 1 1 18 18 LEU CD1 C 13 26.281 0.01 . . . . . A 58 LEU CD1 . 25718 1
219 . 1 1 18 18 LEU CD2 C 13 22.236 0.01 . . . . . A 58 LEU CD2 . 25718 1
220 . 1 1 18 18 LEU N N 15 117.136 0.03 . . . . . A 58 LEU N . 25718 1
221 . 1 1 19 19 GLY H H 1 7.772 0.001 . . . . . A 59 GLY H . 25718 1
222 . 1 1 19 19 GLY HA2 H 1 4.145 0.001 . . . . . A 59 GLY HA2 . 25718 1
223 . 1 1 19 19 GLY HA3 H 1 3.604 0.001 . . . . . A 59 GLY HA3 . 25718 1
224 . 1 1 19 19 GLY C C 13 174.273 0.01 . . . . . A 59 GLY C . 25718 1
225 . 1 1 19 19 GLY CA C 13 44.987 0.01 . . . . . A 59 GLY CA . 25718 1
226 . 1 1 19 19 GLY N N 15 105.396 0.03 . . . . . A 59 GLY N . 25718 1
227 . 1 1 20 20 TYR H H 1 7.323 0.001 . . . . . A 60 TYR H . 25718 1
228 . 1 1 20 20 TYR HA H 1 4.595 0.001 . . . . . A 60 TYR HA . 25718 1
229 . 1 1 20 20 TYR HB2 H 1 3.019 0.001 . . . . . A 60 TYR HB2 . 25718 1
230 . 1 1 20 20 TYR HB3 H 1 2.525 0.001 . . . . . A 60 TYR HB3 . 25718 1
231 . 1 1 20 20 TYR HD1 H 1 7.307 0.001 . . . . . A 60 TYR HD1 . 25718 1
232 . 1 1 20 20 TYR HD2 H 1 7.307 0.001 . . . . . A 60 TYR HD2 . 25718 1
233 . 1 1 20 20 TYR HE1 H 1 6.738 0.001 . . . . . A 60 TYR HE1 . 25718 1
234 . 1 1 20 20 TYR HE2 H 1 6.738 0.001 . . . . . A 60 TYR HE2 . 25718 1
235 . 1 1 20 20 TYR C C 13 175.280 0.01 . . . . . A 60 TYR C . 25718 1
236 . 1 1 20 20 TYR CA C 13 58.634 0.01 . . . . . A 60 TYR CA . 25718 1
237 . 1 1 20 20 TYR CB C 13 39.132 0.01 . . . . . A 60 TYR CB . 25718 1
238 . 1 1 20 20 TYR CD1 C 13 133.078 0.01 . . . . . A 60 TYR CD1 . 25718 1
239 . 1 1 20 20 TYR CD2 C 13 133.078 0.01 . . . . . A 60 TYR CD2 . 25718 1
240 . 1 1 20 20 TYR CE1 C 13 118.604 0.01 . . . . . A 60 TYR CE1 . 25718 1
241 . 1 1 20 20 TYR CE2 C 13 118.604 0.01 . . . . . A 60 TYR CE2 . 25718 1
242 . 1 1 20 20 TYR N N 15 119.745 0.03 . . . . . A 60 TYR N . 25718 1
243 . 1 1 21 21 SER H H 1 9.516 0.001 . . . . . A 61 SER H . 25718 1
244 . 1 1 21 21 SER HA H 1 4.592 0.001 . . . . . A 61 SER HA . 25718 1
245 . 1 1 21 21 SER HB2 H 1 4.337 0.001 . . . . . A 61 SER HB2 . 25718 1
246 . 1 1 21 21 SER HB3 H 1 4.089 0.001 . . . . . A 61 SER HB3 . 25718 1
247 . 1 1 21 21 SER C C 13 175.412 0.01 . . . . . A 61 SER C . 25718 1
248 . 1 1 21 21 SER CA C 13 57.394 0.01 . . . . . A 61 SER CA . 25718 1
249 . 1 1 21 21 SER CB C 13 65.119 0.01 . . . . . A 61 SER CB . 25718 1
250 . 1 1 21 21 SER N N 15 118.863 0.03 . . . . . A 61 SER N . 25718 1
251 . 1 1 22 22 SER H H 1 9.152 0.001 . . . . . A 62 SER H . 25718 1
252 . 1 1 22 22 SER HB2 H 1 4.047 0.001 . . . . . A 62 SER HB2 . 25718 1
253 . 1 1 22 22 SER HB3 H 1 3.953 0.001 . . . . . A 62 SER HB3 . 25718 1
254 . 1 1 22 22 SER C C 13 176.553 0.01 . . . . . A 62 SER C . 25718 1
255 . 1 1 22 22 SER CA C 13 62.719 0.01 . . . . . A 62 SER CA . 25718 1
256 . 1 1 22 22 SER N N 15 117.493 0.03 . . . . . A 62 SER N . 25718 1
257 . 1 1 23 23 SER H H 1 8.551 0.001 . . . . . A 63 SER H . 25718 1
258 . 1 1 23 23 SER HA H 1 4.262 0.001 . . . . . A 63 SER HA . 25718 1
259 . 1 1 23 23 SER HB2 H 1 3.927 0.001 . . . . . A 63 SER HB2 . 25718 1
260 . 1 1 23 23 SER HB3 H 1 3.927 0.001 . . . . . A 63 SER HB3 . 25718 1
261 . 1 1 23 23 SER C C 13 177.364 0.01 . . . . . A 63 SER C . 25718 1
262 . 1 1 23 23 SER CA C 13 61.674 0.01 . . . . . A 63 SER CA . 25718 1
263 . 1 1 23 23 SER CB C 13 62.435 0.01 . . . . . A 63 SER CB . 25718 1
264 . 1 1 23 23 SER N N 15 115.243 0.03 . . . . . A 63 SER N . 25718 1
265 . 1 1 24 24 GLU H H 1 7.762 0.001 . . . . . A 64 GLU H . 25718 1
266 . 1 1 24 24 GLU HA H 1 4.122 0.001 . . . . . A 64 GLU HA . 25718 1
267 . 1 1 24 24 GLU HB2 H 1 2.329 0.001 . . . . . A 64 GLU HB2 . 25718 1
268 . 1 1 24 24 GLU HB3 H 1 1.961 0.001 . . . . . A 64 GLU HB3 . 25718 1
269 . 1 1 24 24 GLU HG2 H 1 2.432 0.001 . . . . . A 64 GLU HG2 . 25718 1
270 . 1 1 24 24 GLU HG3 H 1 2.323 0.001 . . . . . A 64 GLU HG3 . 25718 1
271 . 1 1 24 24 GLU C C 13 178.750 0.01 . . . . . A 64 GLU C . 25718 1
272 . 1 1 24 24 GLU CA C 13 59.107 0.01 . . . . . A 64 GLU CA . 25718 1
273 . 1 1 24 24 GLU CB C 13 29.732 0.01 . . . . . A 64 GLU CB . 25718 1
274 . 1 1 24 24 GLU CG C 13 36.914 0.01 . . . . . A 64 GLU CG . 25718 1
275 . 1 1 24 24 GLU N N 15 123.469 0.03 . . . . . A 64 GLU N . 25718 1
276 . 1 1 25 25 ILE H H 1 8.214 0.001 . . . . . A 65 ILE H . 25718 1
277 . 1 1 25 25 ILE HA H 1 3.367 0.001 . . . . . A 65 ILE HA . 25718 1
278 . 1 1 25 25 ILE HB H 1 1.798 0.001 . . . . . A 65 ILE HB . 25718 1
279 . 1 1 25 25 ILE HG12 H 1 1.835 0.001 . . . . . A 65 ILE HG12 . 25718 1
280 . 1 1 25 25 ILE HG13 H 1 0.706 0.001 . . . . . A 65 ILE HG13 . 25718 1
281 . 1 1 25 25 ILE HG21 H 1 0.860 0.001 . . . . . A 65 ILE HG21 . 25718 1
282 . 1 1 25 25 ILE HG22 H 1 0.860 0.001 . . . . . A 65 ILE HG22 . 25718 1
283 . 1 1 25 25 ILE HG23 H 1 0.860 0.001 . . . . . A 65 ILE HG23 . 25718 1
284 . 1 1 25 25 ILE HD11 H 1 0.825 0.001 . . . . . A 65 ILE HD11 . 25718 1
285 . 1 1 25 25 ILE HD12 H 1 0.825 0.001 . . . . . A 65 ILE HD12 . 25718 1
286 . 1 1 25 25 ILE HD13 H 1 0.825 0.001 . . . . . A 65 ILE HD13 . 25718 1
287 . 1 1 25 25 ILE C C 13 177.668 0.01 . . . . . A 65 ILE C . 25718 1
288 . 1 1 25 25 ILE CA C 13 65.187 0.01 . . . . . A 65 ILE CA . 25718 1
289 . 1 1 25 25 ILE CB C 13 38.701 0.01 . . . . . A 65 ILE CB . 25718 1
290 . 1 1 25 25 ILE CG1 C 13 29.052 0.01 . . . . . A 65 ILE CG1 . 25718 1
291 . 1 1 25 25 ILE CG2 C 13 19.076 0.01 . . . . . A 65 ILE CG2 . 25718 1
292 . 1 1 25 25 ILE CD1 C 13 15.929 0.01 . . . . . A 65 ILE CD1 . 25718 1
293 . 1 1 25 25 ILE N N 15 119.610 0.03 . . . . . A 65 ILE N . 25718 1
294 . 1 1 26 26 HIS H H 1 8.649 0.001 . . . . . A 66 HIS H . 25718 1
295 . 1 1 26 26 HIS HA H 1 4.085 0.001 . . . . . A 66 HIS HA . 25718 1
296 . 1 1 26 26 HIS HB2 H 1 3.183 0.001 . . . . . A 66 HIS HB2 . 25718 1
297 . 1 1 26 26 HIS HB3 H 1 3.122 0.001 . . . . . A 66 HIS HB3 . 25718 1
298 . 1 1 26 26 HIS HD2 H 1 6.999 0.001 . . . . . A 66 HIS HD2 . 25718 1
299 . 1 1 26 26 HIS HE1 H 1 7.664 0.001 . . . . . A 66 HIS HE1 . 25718 1
300 . 1 1 26 26 HIS C C 13 178.292 0.01 . . . . . A 66 HIS C . 25718 1
301 . 1 1 26 26 HIS CA C 13 60.957 0.01 . . . . . A 66 HIS CA . 25718 1
302 . 1 1 26 26 HIS CB C 13 30.256 0.01 . . . . . A 66 HIS CB . 25718 1
303 . 1 1 26 26 HIS CD2 C 13 119.713 0.01 . . . . . A 66 HIS CD2 . 25718 1
304 . 1 1 26 26 HIS CE1 C 13 138.113 0.01 . . . . . A 66 HIS CE1 . 25718 1
305 . 1 1 26 26 HIS N N 15 117.762 0.03 . . . . . A 66 HIS N . 25718 1
306 . 1 1 27 27 SER H H 1 7.877 0.001 . . . . . A 67 SER H . 25718 1
307 . 1 1 27 27 SER HA H 1 4.204 0.001 . . . . . A 67 SER HA . 25718 1
308 . 1 1 27 27 SER HB2 H 1 4.021 0.001 . . . . . A 67 SER HB2 . 25718 1
309 . 1 1 27 27 SER HB3 H 1 3.994 0.001 . . . . . A 67 SER HB3 . 25718 1
310 . 1 1 27 27 SER C C 13 177.230 0.01 . . . . . A 67 SER C . 25718 1
311 . 1 1 27 27 SER CA C 13 61.920 0.01 . . . . . A 67 SER CA . 25718 1
312 . 1 1 27 27 SER CB C 13 62.740 0.01 . . . . . A 67 SER CB . 25718 1
313 . 1 1 27 27 SER N N 15 113.361 0.03 . . . . . A 67 SER N . 25718 1
314 . 1 1 28 28 VAL H H 1 7.699 0.001 . . . . . A 68 VAL H . 25718 1
315 . 1 1 28 28 VAL HA H 1 3.766 0.001 . . . . . A 68 VAL HA . 25718 1
316 . 1 1 28 28 VAL HB H 1 1.978 0.001 . . . . . A 68 VAL HB . 25718 1
317 . 1 1 28 28 VAL HG11 H 1 0.918 0.001 . . . . . A 68 VAL HG11 . 25718 1
318 . 1 1 28 28 VAL HG12 H 1 0.918 0.001 . . . . . A 68 VAL HG12 . 25718 1
319 . 1 1 28 28 VAL HG13 H 1 0.918 0.001 . . . . . A 68 VAL HG13 . 25718 1
320 . 1 1 28 28 VAL HG21 H 1 0.813 0.001 . . . . . A 68 VAL HG21 . 25718 1
321 . 1 1 28 28 VAL HG22 H 1 0.813 0.001 . . . . . A 68 VAL HG22 . 25718 1
322 . 1 1 28 28 VAL HG23 H 1 0.813 0.001 . . . . . A 68 VAL HG23 . 25718 1
323 . 1 1 28 28 VAL C C 13 177.886 0.01 . . . . . A 68 VAL C . 25718 1
324 . 1 1 28 28 VAL CA C 13 66.349 0.01 . . . . . A 68 VAL CA . 25718 1
325 . 1 1 28 28 VAL CB C 13 31.432 0.01 . . . . . A 68 VAL CB . 25718 1
326 . 1 1 28 28 VAL CG1 C 13 23.213 0.01 . . . . . A 68 VAL CG1 . 25718 1
327 . 1 1 28 28 VAL CG2 C 13 23.136 0.01 . . . . . A 68 VAL CG2 . 25718 1
328 . 1 1 28 28 VAL N N 15 121.268 0.03 . . . . . A 68 VAL N . 25718 1
329 . 1 1 29 29 LEU H H 1 8.360 0.001 . . . . . A 69 LEU H . 25718 1
330 . 1 1 29 29 LEU HA H 1 3.902 0.001 . . . . . A 69 LEU HA . 25718 1
331 . 1 1 29 29 LEU HB2 H 1 1.838 0.001 . . . . . A 69 LEU HB2 . 25718 1
332 . 1 1 29 29 LEU HB3 H 1 1.238 0.001 . . . . . A 69 LEU HB3 . 25718 1
333 . 1 1 29 29 LEU HG H 1 0.745 0.001 . . . . . A 69 LEU HG . 25718 1
334 . 1 1 29 29 LEU HD11 H 1 0.756 0.001 . . . . . A 69 LEU HD11 . 25718 1
335 . 1 1 29 29 LEU HD12 H 1 0.756 0.001 . . . . . A 69 LEU HD12 . 25718 1
336 . 1 1 29 29 LEU HD13 H 1 0.756 0.001 . . . . . A 69 LEU HD13 . 25718 1
337 . 1 1 29 29 LEU HD21 H 1 0.686 0.001 . . . . . A 69 LEU HD21 . 25718 1
338 . 1 1 29 29 LEU HD22 H 1 0.686 0.001 . . . . . A 69 LEU HD22 . 25718 1
339 . 1 1 29 29 LEU HD23 H 1 0.686 0.001 . . . . . A 69 LEU HD23 . 25718 1
340 . 1 1 29 29 LEU C C 13 179.905 0.01 . . . . . A 69 LEU C . 25718 1
341 . 1 1 29 29 LEU CA C 13 57.573 0.01 . . . . . A 69 LEU CA . 25718 1
342 . 1 1 29 29 LEU CB C 13 40.792 0.01 . . . . . A 69 LEU CB . 25718 1
343 . 1 1 29 29 LEU CG C 13 26.985 0.01 . . . . . A 69 LEU CG . 25718 1
344 . 1 1 29 29 LEU CD1 C 13 22.845 0.01 . . . . . A 69 LEU CD1 . 25718 1
345 . 1 1 29 29 LEU CD2 C 13 26.823 0.01 . . . . . A 69 LEU CD2 . 25718 1
346 . 1 1 29 29 LEU N N 15 119.743 0.03 . . . . . A 69 LEU N . 25718 1
347 . 1 1 30 30 GLN H H 1 8.132 0.001 . . . . . A 70 GLN H . 25718 1
348 . 1 1 30 30 GLN HA H 1 4.031 0.001 . . . . . A 70 GLN HA . 25718 1
349 . 1 1 30 30 GLN HB2 H 1 2.180 0.001 . . . . . A 70 GLN HB2 . 25718 1
350 . 1 1 30 30 GLN HB3 H 1 2.120 0.001 . . . . . A 70 GLN HB3 . 25718 1
351 . 1 1 30 30 GLN HG2 H 1 2.424 0.001 . . . . . A 70 GLN HG2 . 25718 1
352 . 1 1 30 30 GLN HG3 H 1 2.329 0.001 . . . . . A 70 GLN HG3 . 25718 1
353 . 1 1 30 30 GLN HE21 H 1 7.409 0.001 . . . . . A 70 GLN HE21 . 25718 1
354 . 1 1 30 30 GLN HE22 H 1 6.820 0.001 . . . . . A 70 GLN HE22 . 25718 1
355 . 1 1 30 30 GLN C C 13 177.789 0.01 . . . . . A 70 GLN C . 25718 1
356 . 1 1 30 30 GLN CA C 13 58.585 0.01 . . . . . A 70 GLN CA . 25718 1
357 . 1 1 30 30 GLN CB C 13 28.471 0.01 . . . . . A 70 GLN CB . 25718 1
358 . 1 1 30 30 GLN CG C 13 34.087 0.01 . . . . . A 70 GLN CG . 25718 1
359 . 1 1 30 30 GLN CD C 13 180.223 0.01 . . . . . A 70 GLN CD . 25718 1
360 . 1 1 30 30 GLN N N 15 118.695 0.03 . . . . . A 70 GLN N . 25718 1
361 . 1 1 30 30 GLN NE2 N 15 111.806 0.03 . . . . . A 70 GLN NE2 . 25718 1
362 . 1 1 31 31 LYS H H 1 7.365 0.001 . . . . . A 71 LYS H . 25718 1
363 . 1 1 31 31 LYS HA H 1 4.129 0.001 . . . . . A 71 LYS HA . 25718 1
364 . 1 1 31 31 LYS HB2 H 1 1.938 0.001 . . . . . A 71 LYS HB2 . 25718 1
365 . 1 1 31 31 LYS HB3 H 1 1.938 0.001 . . . . . A 71 LYS HB3 . 25718 1
366 . 1 1 31 31 LYS HG2 H 1 1.544 0.001 . . . . . A 71 LYS HG2 . 25718 1
367 . 1 1 31 31 LYS HG3 H 1 1.334 0.001 . . . . . A 71 LYS HG3 . 25718 1
368 . 1 1 31 31 LYS HD2 H 1 1.644 0.001 . . . . . A 71 LYS HD2 . 25718 1
369 . 1 1 31 31 LYS HD3 H 1 1.644 0.001 . . . . . A 71 LYS HD3 . 25718 1
370 . 1 1 31 31 LYS HE2 H 1 2.917 0.001 . . . . . A 71 LYS HE2 . 25718 1
371 . 1 1 31 31 LYS HE3 H 1 2.917 0.001 . . . . . A 71 LYS HE3 . 25718 1
372 . 1 1 31 31 LYS C C 13 178.175 0.01 . . . . . A 71 LYS C . 25718 1
373 . 1 1 31 31 LYS CA C 13 58.773 0.01 . . . . . A 71 LYS CA . 25718 1
374 . 1 1 31 31 LYS CB C 13 33.193 0.01 . . . . . A 71 LYS CB . 25718 1
375 . 1 1 31 31 LYS CG C 13 24.953 0.01 . . . . . A 71 LYS CG . 25718 1
376 . 1 1 31 31 LYS CD C 13 29.425 0.01 . . . . . A 71 LYS CD . 25718 1
377 . 1 1 31 31 LYS CE C 13 42.180 0.01 . . . . . A 71 LYS CE . 25718 1
378 . 1 1 31 31 LYS N N 15 118.700 0.03 . . . . . A 71 LYS N . 25718 1
379 . 1 1 32 32 LEU H H 1 8.244 0.001 . . . . . A 72 LEU H . 25718 1
380 . 1 1 32 32 LEU HA H 1 4.250 0.001 . . . . . A 72 LEU HA . 25718 1
381 . 1 1 32 32 LEU HB2 H 1 1.643 0.001 . . . . . A 72 LEU HB2 . 25718 1
382 . 1 1 32 32 LEU HB3 H 1 1.499 0.001 . . . . . A 72 LEU HB3 . 25718 1
383 . 1 1 32 32 LEU HG H 1 1.514 0.001 . . . . . A 72 LEU HG . 25718 1
384 . 1 1 32 32 LEU HD11 H 1 0.805 0.001 . . . . . A 72 LEU HD11 . 25718 1
385 . 1 1 32 32 LEU HD12 H 1 0.805 0.001 . . . . . A 72 LEU HD12 . 25718 1
386 . 1 1 32 32 LEU HD13 H 1 0.805 0.001 . . . . . A 72 LEU HD13 . 25718 1
387 . 1 1 32 32 LEU HD21 H 1 0.686 0.001 . . . . . A 72 LEU HD21 . 25718 1
388 . 1 1 32 32 LEU HD22 H 1 0.686 0.001 . . . . . A 72 LEU HD22 . 25718 1
389 . 1 1 32 32 LEU HD23 H 1 0.686 0.001 . . . . . A 72 LEU HD23 . 25718 1
390 . 1 1 32 32 LEU C C 13 178.154 0.01 . . . . . A 72 LEU C . 25718 1
391 . 1 1 32 32 LEU CA C 13 55.729 0.01 . . . . . A 72 LEU CA . 25718 1
392 . 1 1 32 32 LEU CB C 13 43.585 0.01 . . . . . A 72 LEU CB . 25718 1
393 . 1 1 32 32 LEU CG C 13 26.897 0.01 . . . . . A 72 LEU CG . 25718 1
394 . 1 1 32 32 LEU CD1 C 13 22.202 0.01 . . . . . A 72 LEU CD1 . 25718 1
395 . 1 1 32 32 LEU CD2 C 13 26.822 0.01 . . . . . A 72 LEU CD2 . 25718 1
396 . 1 1 32 32 LEU N N 15 116.223 0.03 . . . . . A 72 LEU N . 25718 1
397 . 1 1 33 33 GLY H H 1 7.830 0.001 . . . . . A 73 GLY H . 25718 1
398 . 1 1 33 33 GLY HA2 H 1 4.388 0.001 . . . . . A 73 GLY HA2 . 25718 1
399 . 1 1 33 33 GLY HA3 H 1 3.806 0.001 . . . . . A 73 GLY HA3 . 25718 1
400 . 1 1 33 33 GLY C C 13 174.281 0.01 . . . . . A 73 GLY C . 25718 1
401 . 1 1 33 33 GLY CA C 13 44.588 0.01 . . . . . A 73 GLY CA . 25718 1
402 . 1 1 33 33 GLY N N 15 109.059 0.03 . . . . . A 73 GLY N . 25718 1
403 . 1 1 34 34 VAL H H 1 8.041 0.001 . . . . . A 74 VAL H . 25718 1
404 . 1 1 34 34 VAL HA H 1 3.848 0.001 . . . . . A 74 VAL HA . 25718 1
405 . 1 1 34 34 VAL HB H 1 2.177 0.001 . . . . . A 74 VAL HB . 25718 1
406 . 1 1 34 34 VAL HG11 H 1 0.982 0.001 . . . . . A 74 VAL HG11 . 25718 1
407 . 1 1 34 34 VAL HG12 H 1 0.982 0.001 . . . . . A 74 VAL HG12 . 25718 1
408 . 1 1 34 34 VAL HG13 H 1 0.982 0.001 . . . . . A 74 VAL HG13 . 25718 1
409 . 1 1 34 34 VAL HG21 H 1 0.982 0.001 . . . . . A 74 VAL HG21 . 25718 1
410 . 1 1 34 34 VAL HG22 H 1 0.982 0.001 . . . . . A 74 VAL HG22 . 25718 1
411 . 1 1 34 34 VAL HG23 H 1 0.982 0.001 . . . . . A 74 VAL HG23 . 25718 1
412 . 1 1 34 34 VAL C C 13 176.172 0.01 . . . . . A 74 VAL C . 25718 1
413 . 1 1 34 34 VAL CA C 13 64.160 0.01 . . . . . A 74 VAL CA . 25718 1
414 . 1 1 34 34 VAL CB C 13 31.875 0.01 . . . . . A 74 VAL CB . 25718 1
415 . 1 1 34 34 VAL CG1 C 13 21.135 0.01 . . . . . A 74 VAL CG1 . 25718 1
416 . 1 1 34 34 VAL CG2 C 13 21.135 0.01 . . . . . A 74 VAL CG2 . 25718 1
417 . 1 1 34 34 VAL N N 15 116.313 0.03 . . . . . A 74 VAL N . 25718 1
418 . 1 1 35 35 GLN H H 1 8.313 0.001 . . . . . A 75 GLN H . 25718 1
419 . 1 1 35 35 GLN HA H 1 4.306 0.001 . . . . . A 75 GLN HA . 25718 1
420 . 1 1 35 35 GLN HB2 H 1 2.227 0.001 . . . . . A 75 GLN HB2 . 25718 1
421 . 1 1 35 35 GLN HB3 H 1 1.967 0.001 . . . . . A 75 GLN HB3 . 25718 1
422 . 1 1 35 35 GLN HG2 H 1 2.421 0.001 . . . . . A 75 GLN HG2 . 25718 1
423 . 1 1 35 35 GLN HG3 H 1 2.335 0.001 . . . . . A 75 GLN HG3 . 25718 1
424 . 1 1 35 35 GLN HE21 H 1 7.634 0.001 . . . . . A 75 GLN HE21 . 25718 1
425 . 1 1 35 35 GLN HE22 H 1 6.920 0.001 . . . . . A 75 GLN HE22 . 25718 1
426 . 1 1 35 35 GLN C C 13 175.633 0.01 . . . . . A 75 GLN C . 25718 1
427 . 1 1 35 35 GLN CA C 13 55.526 0.01 . . . . . A 75 GLN CA . 25718 1
428 . 1 1 35 35 GLN CB C 13 27.960 0.01 . . . . . A 75 GLN CB . 25718 1
429 . 1 1 35 35 GLN CG C 13 34.016 0.01 . . . . . A 75 GLN CG . 25718 1
430 . 1 1 35 35 GLN CD C 13 180.712 0.01 . . . . . A 75 GLN CD . 25718 1
431 . 1 1 35 35 GLN N N 15 118.163 0.03 . . . . . A 75 GLN N . 25718 1
432 . 1 1 35 35 GLN NE2 N 15 112.628 0.03 . . . . . A 75 GLN NE2 . 25718 1
433 . 1 1 36 36 ALA H H 1 7.390 0.001 . . . . . A 76 ALA H . 25718 1
434 . 1 1 36 36 ALA HA H 1 4.115 0.001 . . . . . A 76 ALA HA . 25718 1
435 . 1 1 36 36 ALA HB1 H 1 1.217 0.001 . . . . . A 76 ALA HB1 . 25718 1
436 . 1 1 36 36 ALA HB2 H 1 1.217 0.001 . . . . . A 76 ALA HB2 . 25718 1
437 . 1 1 36 36 ALA HB3 H 1 1.217 0.001 . . . . . A 76 ALA HB3 . 25718 1
438 . 1 1 36 36 ALA C C 13 176.776 0.01 . . . . . A 76 ALA C . 25718 1
439 . 1 1 36 36 ALA CA C 13 52.740 0.01 . . . . . A 76 ALA CA . 25718 1
440 . 1 1 36 36 ALA CB C 13 19.816 0.01 . . . . . A 76 ALA CB . 25718 1
441 . 1 1 36 36 ALA N N 15 124.293 0.03 . . . . . A 76 ALA N . 25718 1
442 . 1 1 37 37 ASP H H 1 8.397 0.001 . . . . . A 77 ASP H . 25718 1
443 . 1 1 37 37 ASP HA H 1 4.558 0.001 . . . . . A 77 ASP HA . 25718 1
444 . 1 1 37 37 ASP HB2 H 1 2.965 0.001 . . . . . A 77 ASP HB2 . 25718 1
445 . 1 1 37 37 ASP HB3 H 1 2.792 0.001 . . . . . A 77 ASP HB3 . 25718 1
446 . 1 1 37 37 ASP C C 13 176.592 0.01 . . . . . A 77 ASP C . 25718 1
447 . 1 1 37 37 ASP CA C 13 53.766 0.01 . . . . . A 77 ASP CA . 25718 1
448 . 1 1 37 37 ASP CB C 13 41.761 0.01 . . . . . A 77 ASP CB . 25718 1
449 . 1 1 37 37 ASP N N 15 120.874 0.03 . . . . . A 77 ASP N . 25718 1
450 . 1 1 38 38 THR H H 1 8.490 0.001 . . . . . A 78 THR H . 25718 1
451 . 1 1 38 38 THR HA H 1 3.881 0.001 . . . . . A 78 THR HA . 25718 1
452 . 1 1 38 38 THR HB H 1 4.094 0.001 . . . . . A 78 THR HB . 25718 1
453 . 1 1 38 38 THR HG21 H 1 1.154 0.001 . . . . . A 78 THR HG21 . 25718 1
454 . 1 1 38 38 THR HG22 H 1 1.154 0.001 . . . . . A 78 THR HG22 . 25718 1
455 . 1 1 38 38 THR HG23 H 1 1.154 0.001 . . . . . A 78 THR HG23 . 25718 1
456 . 1 1 38 38 THR C C 13 175.686 0.01 . . . . . A 78 THR C . 25718 1
457 . 1 1 38 38 THR CA C 13 66.799 0.01 . . . . . A 78 THR CA . 25718 1
458 . 1 1 38 38 THR CB C 13 69.047 0.01 . . . . . A 78 THR CB . 25718 1
459 . 1 1 38 38 THR CG2 C 13 22.509 0.01 . . . . . A 78 THR CG2 . 25718 1
460 . 1 1 38 38 THR N N 15 116.690 0.03 . . . . . A 78 THR N . 25718 1
461 . 1 1 39 39 ASN H H 1 8.632 0.001 . . . . . A 79 ASN H . 25718 1
462 . 1 1 39 39 ASN HA H 1 4.531 0.001 . . . . . A 79 ASN HA . 25718 1
463 . 1 1 39 39 ASN HB2 H 1 2.894 0.001 . . . . . A 79 ASN HB2 . 25718 1
464 . 1 1 39 39 ASN HB3 H 1 2.776 0.001 . . . . . A 79 ASN HB3 . 25718 1
465 . 1 1 39 39 ASN HD21 H 1 7.768 0.001 . . . . . A 79 ASN HD21 . 25718 1
466 . 1 1 39 39 ASN HD22 H 1 6.949 0.001 . . . . . A 79 ASN HD22 . 25718 1
467 . 1 1 39 39 ASN C C 13 178.124 0.01 . . . . . A 79 ASN C . 25718 1
468 . 1 1 39 39 ASN CA C 13 56.383 0.01 . . . . . A 79 ASN CA . 25718 1
469 . 1 1 39 39 ASN CB C 13 38.087 0.01 . . . . . A 79 ASN CB . 25718 1
470 . 1 1 39 39 ASN CG C 13 176.329 0.01 . . . . . A 79 ASN CG . 25718 1
471 . 1 1 39 39 ASN N N 15 118.696 0.03 . . . . . A 79 ASN N . 25718 1
472 . 1 1 39 39 ASN ND2 N 15 113.311 0.03 . . . . . A 79 ASN ND2 . 25718 1
473 . 1 1 40 40 THR H H 1 8.129 0.001 . . . . . A 80 THR H . 25718 1
474 . 1 1 40 40 THR HA H 1 3.978 0.001 . . . . . A 80 THR HA . 25718 1
475 . 1 1 40 40 THR HB H 1 4.247 0.001 . . . . . A 80 THR HB . 25718 1
476 . 1 1 40 40 THR HG21 H 1 1.255 0.001 . . . . . A 80 THR HG21 . 25718 1
477 . 1 1 40 40 THR HG22 H 1 1.255 0.001 . . . . . A 80 THR HG22 . 25718 1
478 . 1 1 40 40 THR HG23 H 1 1.255 0.001 . . . . . A 80 THR HG23 . 25718 1
479 . 1 1 40 40 THR C C 13 176.590 0.01 . . . . . A 80 THR C . 25718 1
480 . 1 1 40 40 THR CA C 13 66.021 0.01 . . . . . A 80 THR CA . 25718 1
481 . 1 1 40 40 THR CB C 13 68.202 0.01 . . . . . A 80 THR CB . 25718 1
482 . 1 1 40 40 THR CG2 C 13 22.177 0.01 . . . . . A 80 THR CG2 . 25718 1
483 . 1 1 40 40 THR N N 15 119.631 0.03 . . . . . A 80 THR N . 25718 1
484 . 1 1 41 41 VAL H H 1 8.041 0.001 . . . . . A 81 VAL H . 25718 1
485 . 1 1 41 41 VAL HA H 1 3.269 0.001 . . . . . A 81 VAL HA . 25718 1
486 . 1 1 41 41 VAL HB H 1 1.993 0.001 . . . . . A 81 VAL HB . 25718 1
487 . 1 1 41 41 VAL HG11 H 1 0.753 0.001 . . . . . A 81 VAL HG11 . 25718 1
488 . 1 1 41 41 VAL HG12 H 1 0.753 0.001 . . . . . A 81 VAL HG12 . 25718 1
489 . 1 1 41 41 VAL HG13 H 1 0.753 0.001 . . . . . A 81 VAL HG13 . 25718 1
490 . 1 1 41 41 VAL HG21 H 1 0.099 0.001 . . . . . A 81 VAL HG21 . 25718 1
491 . 1 1 41 41 VAL HG22 H 1 0.099 0.001 . . . . . A 81 VAL HG22 . 25718 1
492 . 1 1 41 41 VAL HG23 H 1 0.099 0.001 . . . . . A 81 VAL HG23 . 25718 1
493 . 1 1 41 41 VAL C C 13 177.671 0.01 . . . . . A 81 VAL C . 25718 1
494 . 1 1 41 41 VAL CA C 13 66.249 0.01 . . . . . A 81 VAL CA . 25718 1
495 . 1 1 41 41 VAL CB C 13 31.534 0.01 . . . . . A 81 VAL CB . 25718 1
496 . 1 1 41 41 VAL CG1 C 13 22.872 0.01 . . . . . A 81 VAL CG1 . 25718 1
497 . 1 1 41 41 VAL CG2 C 13 20.938 0.01 . . . . . A 81 VAL CG2 . 25718 1
498 . 1 1 41 41 VAL N N 15 122.626 0.03 . . . . . A 81 VAL N . 25718 1
499 . 1 1 42 42 LEU H H 1 8.482 0.001 . . . . . A 82 LEU H . 25718 1
500 . 1 1 42 42 LEU HA H 1 3.896 0.001 . . . . . A 82 LEU HA . 25718 1
501 . 1 1 42 42 LEU HB2 H 1 1.887 0.001 . . . . . A 82 LEU HB2 . 25718 1
502 . 1 1 42 42 LEU HB3 H 1 1.795 0.001 . . . . . A 82 LEU HB3 . 25718 1
503 . 1 1 42 42 LEU HG H 1 1.893 0.001 . . . . . A 82 LEU HG . 25718 1
504 . 1 1 42 42 LEU HD11 H 1 1.096 0.001 . . . . . A 82 LEU HD11 . 25718 1
505 . 1 1 42 42 LEU HD12 H 1 1.096 0.001 . . . . . A 82 LEU HD12 . 25718 1
506 . 1 1 42 42 LEU HD13 H 1 1.096 0.001 . . . . . A 82 LEU HD13 . 25718 1
507 . 1 1 42 42 LEU HD21 H 1 1.058 0.001 . . . . . A 82 LEU HD21 . 25718 1
508 . 1 1 42 42 LEU HD22 H 1 1.058 0.001 . . . . . A 82 LEU HD22 . 25718 1
509 . 1 1 42 42 LEU HD23 H 1 1.058 0.001 . . . . . A 82 LEU HD23 . 25718 1
510 . 1 1 42 42 LEU C C 13 178.404 0.01 . . . . . A 82 LEU C . 25718 1
511 . 1 1 42 42 LEU CA C 13 57.915 0.01 . . . . . A 82 LEU CA . 25718 1
512 . 1 1 42 42 LEU CB C 13 41.897 0.01 . . . . . A 82 LEU CB . 25718 1
513 . 1 1 42 42 LEU CG C 13 27.221 0.01 . . . . . A 82 LEU CG . 25718 1
514 . 1 1 42 42 LEU CD1 C 13 24.773 0.01 . . . . . A 82 LEU CD1 . 25718 1
515 . 1 1 42 42 LEU CD2 C 13 24.661 0.01 . . . . . A 82 LEU CD2 . 25718 1
516 . 1 1 42 42 LEU N N 15 119.485 0.03 . . . . . A 82 LEU N . 25718 1
517 . 1 1 43 43 GLY H H 1 7.869 0.001 . . . . . A 83 GLY H . 25718 1
518 . 1 1 43 43 GLY HA2 H 1 3.895 0.001 . . . . . A 83 GLY HA2 . 25718 1
519 . 1 1 43 43 GLY HA3 H 1 3.820 0.001 . . . . . A 83 GLY HA3 . 25718 1
520 . 1 1 43 43 GLY C C 13 175.521 0.01 . . . . . A 83 GLY C . 25718 1
521 . 1 1 43 43 GLY CA C 13 46.732 0.01 . . . . . A 83 GLY CA . 25718 1
522 . 1 1 43 43 GLY N N 15 103.973 0.03 . . . . . A 83 GLY N . 25718 1
523 . 1 1 44 44 GLU H H 1 7.441 0.001 . . . . . A 84 GLU H . 25718 1
524 . 1 1 44 44 GLU HA H 1 4.204 0.001 . . . . . A 84 GLU HA . 25718 1
525 . 1 1 44 44 GLU HB2 H 1 2.059 0.001 . . . . . A 84 GLU HB2 . 25718 1
526 . 1 1 44 44 GLU HB3 H 1 1.983 0.001 . . . . . A 84 GLU HB3 . 25718 1
527 . 1 1 44 44 GLU HG2 H 1 2.233 0.001 . . . . . A 84 GLU HG2 . 25718 1
528 . 1 1 44 44 GLU HG3 H 1 2.233 0.001 . . . . . A 84 GLU HG3 . 25718 1
529 . 1 1 44 44 GLU C C 13 178.295 0.01 . . . . . A 84 GLU C . 25718 1
530 . 1 1 44 44 GLU CA C 13 57.411 0.01 . . . . . A 84 GLU CA . 25718 1
531 . 1 1 44 44 GLU CB C 13 30.321 0.01 . . . . . A 84 GLU CB . 25718 1
532 . 1 1 44 44 GLU CG C 13 35.962 0.01 . . . . . A 84 GLU CG . 25718 1
533 . 1 1 44 44 GLU N N 15 119.262 0.03 . . . . . A 84 GLU N . 25718 1
534 . 1 1 45 45 LEU H H 1 7.968 0.001 . . . . . A 85 LEU H . 25718 1
535 . 1 1 45 45 LEU HA H 1 3.895 0.001 . . . . . A 85 LEU HA . 25718 1
536 . 1 1 45 45 LEU HB2 H 1 1.447 0.001 . . . . . A 85 LEU HB2 . 25718 1
537 . 1 1 45 45 LEU HB3 H 1 0.813 0.001 . . . . . A 85 LEU HB3 . 25718 1
538 . 1 1 45 45 LEU HG H 1 1.287 0.001 . . . . . A 85 LEU HG . 25718 1
539 . 1 1 45 45 LEU HD11 H 1 0.441 0.001 . . . . . A 85 LEU HD11 . 25718 1
540 . 1 1 45 45 LEU HD12 H 1 0.441 0.001 . . . . . A 85 LEU HD12 . 25718 1
541 . 1 1 45 45 LEU HD13 H 1 0.441 0.001 . . . . . A 85 LEU HD13 . 25718 1
542 . 1 1 45 45 LEU HD21 H 1 -0.067 0.001 . . . . . A 85 LEU HD21 . 25718 1
543 . 1 1 45 45 LEU HD22 H 1 -0.067 0.001 . . . . . A 85 LEU HD22 . 25718 1
544 . 1 1 45 45 LEU HD23 H 1 -0.067 0.001 . . . . . A 85 LEU HD23 . 25718 1
545 . 1 1 45 45 LEU C C 13 178.661 0.01 . . . . . A 85 LEU C . 25718 1
546 . 1 1 45 45 LEU CA C 13 57.018 0.01 . . . . . A 85 LEU CA . 25718 1
547 . 1 1 45 45 LEU CB C 13 41.482 0.01 . . . . . A 85 LEU CB . 25718 1
548 . 1 1 45 45 LEU CG C 13 26.526 0.01 . . . . . A 85 LEU CG . 25718 1
549 . 1 1 45 45 LEU CD1 C 13 23.118 0.01 . . . . . A 85 LEU CD1 . 25718 1
550 . 1 1 45 45 LEU CD2 C 13 25.977 0.01 . . . . . A 85 LEU CD2 . 25718 1
551 . 1 1 45 45 LEU N N 15 121.030 0.03 . . . . . A 85 LEU N . 25718 1
552 . 1 1 46 46 VAL H H 1 7.907 0.001 . . . . . A 86 VAL H . 25718 1
553 . 1 1 46 46 VAL HA H 1 4.073 0.001 . . . . . A 86 VAL HA . 25718 1
554 . 1 1 46 46 VAL HB H 1 2.221 0.001 . . . . . A 86 VAL HB . 25718 1
555 . 1 1 46 46 VAL HG11 H 1 1.021 0.001 . . . . . A 86 VAL HG11 . 25718 1
556 . 1 1 46 46 VAL HG12 H 1 1.021 0.001 . . . . . A 86 VAL HG12 . 25718 1
557 . 1 1 46 46 VAL HG13 H 1 1.021 0.001 . . . . . A 86 VAL HG13 . 25718 1
558 . 1 1 46 46 VAL HG21 H 1 0.984 0.001 . . . . . A 86 VAL HG21 . 25718 1
559 . 1 1 46 46 VAL HG22 H 1 0.984 0.001 . . . . . A 86 VAL HG22 . 25718 1
560 . 1 1 46 46 VAL HG23 H 1 0.984 0.001 . . . . . A 86 VAL HG23 . 25718 1
561 . 1 1 46 46 VAL C C 13 176.896 0.01 . . . . . A 86 VAL C . 25718 1
562 . 1 1 46 46 VAL CA C 13 63.359 0.01 . . . . . A 86 VAL CA . 25718 1
563 . 1 1 46 46 VAL CB C 13 32.215 0.01 . . . . . A 86 VAL CB . 25718 1
564 . 1 1 46 46 VAL CG1 C 13 20.957 0.01 . . . . . A 86 VAL CG1 . 25718 1
565 . 1 1 46 46 VAL CG2 C 13 20.907 0.01 . . . . . A 86 VAL CG2 . 25718 1
566 . 1 1 46 46 VAL N N 15 115.343 0.03 . . . . . A 86 VAL N . 25718 1
567 . 1 1 47 47 LYS H H 1 7.582 0.001 . . . . . A 87 LYS H . 25718 1
568 . 1 1 47 47 LYS HA H 1 4.201 0.001 . . . . . A 87 LYS HA . 25718 1
569 . 1 1 47 47 LYS HB2 H 1 1.790 0.001 . . . . . A 87 LYS HB2 . 25718 1
570 . 1 1 47 47 LYS HB3 H 1 1.790 0.001 . . . . . A 87 LYS HB3 . 25718 1
571 . 1 1 47 47 LYS HG2 H 1 1.494 0.001 . . . . . A 87 LYS HG2 . 25718 1
572 . 1 1 47 47 LYS HG3 H 1 1.350 0.001 . . . . . A 87 LYS HG3 . 25718 1
573 . 1 1 47 47 LYS HD2 H 1 1.645 0.001 . . . . . A 87 LYS HD2 . 25718 1
574 . 1 1 47 47 LYS HD3 H 1 1.645 0.001 . . . . . A 87 LYS HD3 . 25718 1
575 . 1 1 47 47 LYS HE2 H 1 2.952 0.001 . . . . . A 87 LYS HE2 . 25718 1
576 . 1 1 47 47 LYS HE3 H 1 2.952 0.001 . . . . . A 87 LYS HE3 . 25718 1
577 . 1 1 47 47 LYS C C 13 176.635 0.01 . . . . . A 87 LYS C . 25718 1
578 . 1 1 47 47 LYS CA C 13 57.164 0.01 . . . . . A 87 LYS CA . 25718 1
579 . 1 1 47 47 LYS CB C 13 32.812 0.01 . . . . . A 87 LYS CB . 25718 1
580 . 1 1 47 47 LYS CG C 13 24.751 0.01 . . . . . A 87 LYS CG . 25718 1
581 . 1 1 47 47 LYS CD C 13 29.422 0.01 . . . . . A 87 LYS CD . 25718 1
582 . 1 1 47 47 LYS CE C 13 42.212 0.01 . . . . . A 87 LYS CE . 25718 1
583 . 1 1 47 47 LYS N N 15 121.724 0.03 . . . . . A 87 LYS N . 25718 1
584 . 1 1 48 48 HIS H H 1 8.068 0.001 . . . . . A 88 HIS H . 25718 1
585 . 1 1 48 48 HIS HA H 1 4.680 0.001 . . . . . A 88 HIS HA . 25718 1
586 . 1 1 48 48 HIS HB2 H 1 3.353 0.001 . . . . . A 88 HIS HB2 . 25718 1
587 . 1 1 48 48 HIS HB3 H 1 3.209 0.001 . . . . . A 88 HIS HB3 . 25718 1
588 . 1 1 48 48 HIS HD2 H 1 7.236 0.001 . . . . . A 88 HIS HD2 . 25718 1
589 . 1 1 48 48 HIS HE1 H 1 8.281 0.001 . . . . . A 88 HIS HE1 . 25718 1
590 . 1 1 48 48 HIS C C 13 174.543 0.01 . . . . . A 88 HIS C . 25718 1
591 . 1 1 48 48 HIS CA C 13 55.892 0.01 . . . . . A 88 HIS CA . 25718 1
592 . 1 1 48 48 HIS CB C 13 29.757 0.01 . . . . . A 88 HIS CB . 25718 1
593 . 1 1 48 48 HIS CD2 C 13 121.646 0.01 . . . . . A 88 HIS CD2 . 25718 1
594 . 1 1 48 48 HIS CE1 C 13 137.132 0.01 . . . . . A 88 HIS CE1 . 25718 1
595 . 1 1 48 48 HIS N N 15 118.797 0.03 . . . . . A 88 HIS N . 25718 1
596 . 1 1 49 49 GLY H H 1 8.066 0.001 . . . . . A 89 GLY H . 25718 1
597 . 1 1 49 49 GLY HA2 H 1 4.870 0.001 . . . . . A 89 GLY HA2 . 25718 1
598 . 1 1 49 49 GLY HA3 H 1 4.870 0.001 . . . . . A 89 GLY HA3 . 25718 1
599 . 1 1 49 49 GLY CA C 13 46.252 0.01 . . . . . A 89 GLY CA . 25718 1
600 . 1 1 49 49 GLY N N 15 115.891 0.03 . . . . . A 89 GLY N . 25718 1
stop_
save_