Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 18878
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/3zeh/ebi/PWWP-1-93-3L.str.csh'
_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 'triple resonance' 1 $sample_1 solution 18878 1
2 '13C/15N edited NOESY' 1 $sample_1 solution 18878 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 6 6 MET H H 1 8.380 0.002 . 1 . . . . 1 M H . 18878 1
2 . 1 1 6 6 MET HA H 1 4.494 0.004 . 1 . . . . 1 M HA . 18878 1
3 . 1 1 6 6 MET HB2 H 1 2.106 0.002 . 2 . . . . 1 M HB2 . 18878 1
4 . 1 1 6 6 MET HB3 H 1 1.972 0.003 . 2 . . . . 1 M HB3 . 18878 1
5 . 1 1 6 6 MET HG2 H 1 2.612 0.003 . 2 . . . . 1 M HG2 . 18878 1
6 . 1 1 6 6 MET HG3 H 1 2.543 0.003 . 2 . . . . 1 M HG3 . 18878 1
7 . 1 1 6 6 MET C C 13 176.058 0.000 . 1 . . . . 1 M C . 18878 1
8 . 1 1 6 6 MET CA C 13 55.047 0.027 . 1 . . . . 1 M CA . 18878 1
9 . 1 1 6 6 MET CB C 13 33.594 0.031 . 1 . . . . 1 M CB . 18878 1
10 . 1 1 6 6 MET CG C 13 32.036 0.068 . 1 . . . . 1 M CG . 18878 1
11 . 1 1 6 6 MET N N 15 119.767 0.016 . 1 . . . . 1 M N . 18878 1
12 . 1 1 7 7 ALA H H 1 8.453 0.005 . 1 . . . . 2 A H . 18878 1
13 . 1 1 7 7 ALA HA H 1 4.234 0.003 . 1 . . . . 2 A HA . 18878 1
14 . 1 1 7 7 ALA HB1 H 1 1.364 0.002 . 1 . . . . 2 A HB# . 18878 1
15 . 1 1 7 7 ALA HB2 H 1 1.364 0.002 . 1 . . . . 2 A HB# . 18878 1
16 . 1 1 7 7 ALA HB3 H 1 1.364 0.002 . 1 . . . . 2 A HB# . 18878 1
17 . 1 1 7 7 ALA C C 13 177.471 0.000 . 1 . . . . 2 A C . 18878 1
18 . 1 1 7 7 ALA CA C 13 53.134 0.013 . 1 . . . . 2 A CA . 18878 1
19 . 1 1 7 7 ALA CB C 13 18.976 0.040 . 1 . . . . 2 A CB . 18878 1
20 . 1 1 7 7 ALA N N 15 125.517 0.032 . 1 . . . . 2 A N . 18878 1
21 . 1 1 8 8 ARG H H 1 8.102 0.001 . 1 . . . . 3 R H . 18878 1
22 . 1 1 8 8 ARG HA H 1 4.211 0.003 . 1 . . . . 3 R HA . 18878 1
23 . 1 1 8 8 ARG HB2 H 1 1.618 0.001 . 2 . . . . 3 R HB# . 18878 1
24 . 1 1 8 8 ARG HB3 H 1 1.618 0.001 . 2 . . . . 3 R HB# . 18878 1
25 . 1 1 8 8 ARG HG2 H 1 1.386 0.003 . 2 . . . . 3 R QG . 18878 1
26 . 1 1 8 8 ARG HG3 H 1 1.386 0.003 . 2 . . . . 3 R QG . 18878 1
27 . 1 1 8 8 ARG HD2 H 1 3.079 0.002 . 2 . . . . 3 R HD# . 18878 1
28 . 1 1 8 8 ARG HD3 H 1 3.079 0.002 . 2 . . . . 3 R HD# . 18878 1
29 . 1 1 8 8 ARG C C 13 175.034 0.000 . 1 . . . . 3 R C . 18878 1
30 . 1 1 8 8 ARG CA C 13 55.607 0.017 . 1 . . . . 3 R CA . 18878 1
31 . 1 1 8 8 ARG CB C 13 30.681 0.042 . 1 . . . . 3 R CB . 18878 1
32 . 1 1 8 8 ARG CG C 13 26.603 0.020 . 1 . . . . 3 R CG . 18878 1
33 . 1 1 8 8 ARG CD C 13 43.385 0.016 . 1 . . . . 3 R CD . 18878 1
34 . 1 1 8 8 ARG N N 15 118.571 0.029 . 1 . . . . 3 R N . 18878 1
35 . 1 1 9 9 ASP H H 1 8.098 0.002 . 1 . . . . 4 D H . 18878 1
36 . 1 1 9 9 ASP HA H 1 4.565 0.003 . 1 . . . . 4 D HA . 18878 1
37 . 1 1 9 9 ASP HB2 H 1 2.552 0.003 . 2 . . . . 4 D HB2 . 18878 1
38 . 1 1 9 9 ASP HB3 H 1 2.430 0.004 . 2 . . . . 4 D HB3 . 18878 1
39 . 1 1 9 9 ASP C C 13 175.408 0.000 . 1 . . . . 4 D C . 18878 1
40 . 1 1 9 9 ASP CA C 13 53.915 0.033 . 1 . . . . 4 D CA . 18878 1
41 . 1 1 9 9 ASP CB C 13 41.399 0.038 . 1 . . . . 4 D CB . 18878 1
42 . 1 1 9 9 ASP N N 15 121.876 0.019 . 1 . . . . 4 D N . 18878 1
43 . 1 1 10 10 PHE H H 1 8.122 0.003 . 1 . . . . 5 F H . 18878 1
44 . 1 1 10 10 PHE HA H 1 4.696 0.003 . 1 . . . . 5 F HA . 18878 1
45 . 1 1 10 10 PHE HB2 H 1 2.724 0.001 . 2 . . . . 5 F HB2 . 18878 1
46 . 1 1 10 10 PHE HB3 H 1 2.972 0.002 . 2 . . . . 5 F HB3 . 18878 1
47 . 1 1 10 10 PHE HD1 H 1 7.289 0.005 . 3 . . . . 5 F HD# . 18878 1
48 . 1 1 10 10 PHE HD2 H 1 7.289 0.005 . 3 . . . . 5 F HD# . 18878 1
49 . 1 1 10 10 PHE HE1 H 1 7.149 0.005 . 3 . . . . 5 F HE# . 18878 1
50 . 1 1 10 10 PHE HE2 H 1 7.149 0.005 . 3 . . . . 5 F HE# . 18878 1
51 . 1 1 10 10 PHE HZ H 1 7.070 0.002 . 1 . . . . 5 F HZ . 18878 1
52 . 1 1 10 10 PHE C C 13 174.824 0.000 . 1 . . . . 5 F C . 18878 1
53 . 1 1 10 10 PHE CA C 13 58.352 0.027 . 1 . . . . 5 F CA . 18878 1
54 . 1 1 10 10 PHE CB C 13 41.510 0.050 . 1 . . . . 5 F CB . 18878 1
55 . 1 1 10 10 PHE CD1 C 13 132.132 0.085 . 3 . . . . 5 F CD1 . 18878 1
56 . 1 1 10 10 PHE CE1 C 13 131.230 0.029 . 3 . . . . 5 F CE1 . 18878 1
57 . 1 1 10 10 PHE N N 15 120.016 0.041 . 1 . . . . 5 F N . 18878 1
58 . 1 1 11 11 LYS H H 1 9.077 0.005 . 1 . . . . 6 K H . 18878 1
59 . 1 1 11 11 LYS HA H 1 4.849 0.003 . 1 . . . . 6 K HA . 18878 1
60 . 1 1 11 11 LYS HB2 H 1 1.733 0.001 . 2 . . . . 6 K HB# . 18878 1
61 . 1 1 11 11 LYS HB3 H 1 1.733 0.001 . 2 . . . . 6 K HB# . 18878 1
62 . 1 1 11 11 LYS HG2 H 1 1.486 0.002 . 2 . . . . 6 K HG2 . 18878 1
63 . 1 1 11 11 LYS HG3 H 1 1.389 0.000 . 2 . . . . 6 K HG3 . 18878 1
64 . 1 1 11 11 LYS HD2 H 1 1.681 0.001 . 2 . . . . 6 K HD# . 18878 1
65 . 1 1 11 11 LYS HD3 H 1 1.681 0.001 . 2 . . . . 6 K HD# . 18878 1
66 . 1 1 11 11 LYS HE2 H 1 3.018 0.000 . 2 . . . . 6 K HE# . 18878 1
67 . 1 1 11 11 LYS HE3 H 1 3.018 0.000 . 2 . . . . 6 K HE# . 18878 1
68 . 1 1 11 11 LYS CA C 13 53.059 0.042 . 1 . . . . 6 K CA . 18878 1
69 . 1 1 11 11 LYS CB C 13 33.448 0.029 . 1 . . . . 6 K CB . 18878 1
70 . 1 1 11 11 LYS CG C 13 23.936 0.046 . 1 . . . . 6 K CG . 18878 1
71 . 1 1 11 11 LYS CD C 13 28.948 0.029 . 1 . . . . 6 K CD . 18878 1
72 . 1 1 11 11 LYS CE C 13 42.235 0.046 . 1 . . . . 6 K CE . 18878 1
73 . 1 1 11 11 LYS N N 15 123.076 0.025 . 1 . . . . 6 K N . 18878 1
74 . 1 1 12 12 PRO HA H 1 3.931 0.002 . 1 . . . . 7 P HA . 18878 1
75 . 1 1 12 12 PRO HB2 H 1 1.863 0.002 . 2 . . . . 7 P HB2 . 18878 1
76 . 1 1 12 12 PRO HB3 H 1 2.040 0.000 . 2 . . . . 7 P HB3 . 18878 1
77 . 1 1 12 12 PRO HG2 H 1 2.179 0.001 . 2 . . . . 7 P HG2 . 18878 1
78 . 1 1 12 12 PRO HG3 H 1 1.952 0.001 . 2 . . . . 7 P HG3 . 18878 1
79 . 1 1 12 12 PRO HD2 H 1 3.567 0.002 . 2 . . . . 7 P HD2 . 18878 1
80 . 1 1 12 12 PRO HD3 H 1 3.872 0.002 . 2 . . . . 7 P HD3 . 18878 1
81 . 1 1 12 12 PRO C C 13 177.525 0.000 . 1 . . . . 7 P C . 18878 1
82 . 1 1 12 12 PRO CA C 13 63.821 0.053 . 1 . . . . 7 P CA . 18878 1
83 . 1 1 12 12 PRO CB C 13 31.623 0.019 . 1 . . . . 7 P CB . 18878 1
84 . 1 1 12 12 PRO CG C 13 28.113 0.032 . 1 . . . . 7 P CG . 18878 1
85 . 1 1 12 12 PRO CD C 13 50.565 0.047 . 1 . . . . 7 P CD . 18878 1
86 . 1 1 13 13 GLY H H 1 9.655 0.002 . 1 . . . . 8 G H . 18878 1
87 . 1 1 13 13 GLY HA2 H 1 4.422 0.007 . 2 . . . . 8 G HA2 . 18878 1
88 . 1 1 13 13 GLY HA3 H 1 3.341 0.003 . 2 . . . . 8 G HA3 . 18878 1
89 . 1 1 13 13 GLY C C 13 174.517 0.000 . 1 . . . . 8 G C . 18878 1
90 . 1 1 13 13 GLY CA C 13 44.656 0.026 . 1 . . . . 8 G CA . 18878 1
91 . 1 1 13 13 GLY N N 15 115.337 0.031 . 1 . . . . 8 G N . 18878 1
92 . 1 1 14 14 ASP H H 1 8.284 0.004 . 1 . . . . 9 D H . 18878 1
93 . 1 1 14 14 ASP HA H 1 4.588 0.002 . 1 . . . . 9 D HA . 18878 1
94 . 1 1 14 14 ASP HB2 H 1 2.961 0.000 . 2 . . . . 9 D HB2 . 18878 1
95 . 1 1 14 14 ASP HB3 H 1 2.679 0.000 . 2 . . . . 9 D HB3 . 18878 1
96 . 1 1 14 14 ASP C C 13 175.290 0.000 . 1 . . . . 9 D C . 18878 1
97 . 1 1 14 14 ASP CA C 13 55.863 0.018 . 1 . . . . 9 D CA . 18878 1
98 . 1 1 14 14 ASP CB C 13 41.081 0.114 . 1 . . . . 9 D CB . 18878 1
99 . 1 1 14 14 ASP N N 15 122.257 0.023 . 1 . . . . 9 D N . 18878 1
100 . 1 1 15 15 LEU H H 1 8.608 0.003 . 1 . . . . 10 L H . 18878 1
101 . 1 1 15 15 LEU HA H 1 4.967 0.006 . 1 . . . . 10 L HA . 18878 1
102 . 1 1 15 15 LEU HB2 H 1 1.126 0.004 . 2 . . . . 10 L HB2 . 18878 1
103 . 1 1 15 15 LEU HB3 H 1 1.999 0.005 . 2 . . . . 10 L HB3 . 18878 1
104 . 1 1 15 15 LEU HG H 1 2.030 0.003 . 1 . . . . 10 L HG . 18878 1
105 . 1 1 15 15 LEU HD11 H 1 1.019 0.003 . 2 . . . . 10 L QD1 . 18878 1
106 . 1 1 15 15 LEU HD12 H 1 1.019 0.003 . 2 . . . . 10 L QD1 . 18878 1
107 . 1 1 15 15 LEU HD13 H 1 1.019 0.003 . 2 . . . . 10 L QD1 . 18878 1
108 . 1 1 15 15 LEU HD21 H 1 0.894 0.003 . 2 . . . . 10 L QD2 . 18878 1
109 . 1 1 15 15 LEU HD22 H 1 0.894 0.003 . 2 . . . . 10 L QD2 . 18878 1
110 . 1 1 15 15 LEU HD23 H 1 0.894 0.003 . 2 . . . . 10 L QD2 . 18878 1
111 . 1 1 15 15 LEU C C 13 177.993 0.000 . 1 . . . . 10 L C . 18878 1
112 . 1 1 15 15 LEU CA C 13 54.260 0.064 . 1 . . . . 10 L CA . 18878 1
113 . 1 1 15 15 LEU CB C 13 41.236 0.042 . 1 . . . . 10 L CB . 18878 1
114 . 1 1 15 15 LEU CG C 13 26.468 0.048 . 1 . . . . 10 L CG . 18878 1
115 . 1 1 15 15 LEU CD1 C 13 21.788 0.067 . 2 . . . . 10 L CD1 . 18878 1
116 . 1 1 15 15 LEU CD2 C 13 25.147 0.085 . 2 . . . . 10 L CD2 . 18878 1
117 . 1 1 15 15 LEU N N 15 121.332 0.029 . 1 . . . . 10 L N . 18878 1
118 . 1 1 16 16 ILE H H 1 8.829 0.006 . 1 . . . . 11 I H . 18878 1
119 . 1 1 16 16 ILE HA H 1 5.329 0.002 . 1 . . . . 11 I HA . 18878 1
120 . 1 1 16 16 ILE HB H 1 1.981 0.003 . 1 . . . . 11 I HB . 18878 1
121 . 1 1 16 16 ILE HG12 H 1 0.840 0.008 . 2 . . . . 11 I HG12 . 18878 1
122 . 1 1 16 16 ILE HG13 H 1 0.687 0.006 . 2 . . . . 11 I HG13 . 18878 1
123 . 1 1 16 16 ILE HG21 H 1 0.576 0.004 . 1 . . . . 11 I QG2 . 18878 1
124 . 1 1 16 16 ILE HG22 H 1 0.576 0.004 . 1 . . . . 11 I QG2 . 18878 1
125 . 1 1 16 16 ILE HG23 H 1 0.576 0.004 . 1 . . . . 11 I QG2 . 18878 1
126 . 1 1 16 16 ILE HD11 H 1 0.498 0.003 . 1 . . . . 11 I QD1 . 18878 1
127 . 1 1 16 16 ILE HD12 H 1 0.498 0.003 . 1 . . . . 11 I QD1 . 18878 1
128 . 1 1 16 16 ILE HD13 H 1 0.498 0.003 . 1 . . . . 11 I QD1 . 18878 1
129 . 1 1 16 16 ILE C C 13 175.513 0.000 . 1 . . . . 11 I C . 18878 1
130 . 1 1 16 16 ILE CA C 13 60.443 0.045 . 1 . . . . 11 I CA . 18878 1
131 . 1 1 16 16 ILE CB C 13 44.036 0.033 . 1 . . . . 11 I CB . 18878 1
132 . 1 1 16 16 ILE CG1 C 13 26.177 0.040 . 1 . . . . 11 I CG1 . 18878 1
133 . 1 1 16 16 ILE CG2 C 13 19.055 0.048 . 1 . . . . 11 I CG2 . 18878 1
134 . 1 1 16 16 ILE CD1 C 13 16.242 0.056 . 1 . . . . 11 I CD1 . 18878 1
135 . 1 1 16 16 ILE N N 15 118.692 0.057 . 1 . . . . 11 I N . 18878 1
136 . 1 1 17 17 PHE H H 1 9.374 0.002 . 1 . . . . 12 F H . 18878 1
137 . 1 1 17 17 PHE HA H 1 5.287 0.003 . 1 . . . . 12 F HA . 18878 1
138 . 1 1 17 17 PHE HB2 H 1 2.713 0.006 . 2 . . . . 12 F HB# . 18878 1
139 . 1 1 17 17 PHE HB3 H 1 2.713 0.006 . 2 . . . . 12 F HB# . 18878 1
140 . 1 1 17 17 PHE HD1 H 1 7.085 0.005 . 3 . . . . 12 F HD# . 18878 1
141 . 1 1 17 17 PHE HD2 H 1 7.085 0.005 . 3 . . . . 12 F HD# . 18878 1
142 . 1 1 17 17 PHE HE1 H 1 7.212 0.008 . 3 . . . . 12 F HE# . 18878 1
143 . 1 1 17 17 PHE HE2 H 1 7.212 0.008 . 3 . . . . 12 F HE# . 18878 1
144 . 1 1 17 17 PHE HZ H 1 7.053 0.001 . 1 . . . . 12 F HZ . 18878 1
145 . 1 1 17 17 PHE C C 13 175.232 0.000 . 1 . . . . 12 F C . 18878 1
146 . 1 1 17 17 PHE CA C 13 58.544 0.076 . 1 . . . . 12 F CA . 18878 1
147 . 1 1 17 17 PHE CB C 13 43.314 0.072 . 1 . . . . 12 F CB . 18878 1
148 . 1 1 17 17 PHE CD1 C 13 129.384 0.000 . 3 . . . . 12 F CD1 . 18878 1
149 . 1 1 17 17 PHE CZ C 13 128.977 0.037 . 1 . . . . 12 F CZ . 18878 1
150 . 1 1 17 17 PHE N N 15 112.493 0.022 . 1 . . . . 12 F N . 18878 1
151 . 1 1 18 18 ALA H H 1 9.626 0.004 . 1 . . . . 13 A H . 18878 1
152 . 1 1 18 18 ALA HA H 1 5.353 0.003 . 1 . . . . 13 A HA . 18878 1
153 . 1 1 18 18 ALA HB1 H 1 1.025 0.002 . 1 . . . . 13 A HB# . 18878 1
154 . 1 1 18 18 ALA HB2 H 1 1.025 0.002 . 1 . . . . 13 A HB# . 18878 1
155 . 1 1 18 18 ALA HB3 H 1 1.025 0.002 . 1 . . . . 13 A HB# . 18878 1
156 . 1 1 18 18 ALA C C 13 177.054 0.000 . 1 . . . . 13 A C . 18878 1
157 . 1 1 18 18 ALA CA C 13 50.003 0.020 . 1 . . . . 13 A CA . 18878 1
158 . 1 1 18 18 ALA CB C 13 23.701 0.075 . 1 . . . . 13 A CB . 18878 1
159 . 1 1 18 18 ALA N N 15 123.845 0.014 . 1 . . . . 13 A N . 18878 1
160 . 1 1 19 19 LYS H H 1 9.399 0.009 . 1 . . . . 14 K H . 18878 1
161 . 1 1 19 19 LYS HA H 1 4.684 0.006 . 1 . . . . 14 K HA . 18878 1
162 . 1 1 19 19 LYS HB2 H 1 0.998 0.008 . 2 . . . . 14 K HB2 . 18878 1
163 . 1 1 19 19 LYS HB3 H 1 2.270 0.002 . 2 . . . . 14 K HB3 . 18878 1
164 . 1 1 19 19 LYS HG2 H 1 1.137 0.003 . 2 . . . . 14 K HG2 . 18878 1
165 . 1 1 19 19 LYS HG3 H 1 1.052 0.001 . 2 . . . . 14 K HG3 . 18878 1
166 . 1 1 19 19 LYS HD2 H 1 1.435 0.004 . 2 . . . . 14 K HD2 . 18878 1
167 . 1 1 19 19 LYS HD3 H 1 0.025 0.007 . 2 . . . . 14 K HD3 . 18878 1
168 . 1 1 19 19 LYS HE2 H 1 2.712 0.003 . 2 . . . . 14 K HE2 . 18878 1
169 . 1 1 19 19 LYS HE3 H 1 3.024 0.001 . 2 . . . . 14 K HE3 . 18878 1
170 . 1 1 19 19 LYS C C 13 172.980 0.000 . 1 . . . . 14 K C . 18878 1
171 . 1 1 19 19 LYS CA C 13 53.972 0.073 . 1 . . . . 14 K CA . 18878 1
172 . 1 1 19 19 LYS CB C 13 35.248 0.070 . 1 . . . . 14 K CB . 18878 1
173 . 1 1 19 19 LYS CG C 13 24.599 0.071 . 1 . . . . 14 K CG . 18878 1
174 . 1 1 19 19 LYS CD C 13 27.838 0.051 . 1 . . . . 14 K CD . 18878 1
175 . 1 1 19 19 LYS CE C 13 43.319 0.044 . 1 . . . . 14 K CE . 18878 1
176 . 1 1 19 19 LYS N N 15 127.683 0.108 . 1 . . . . 14 K N . 18878 1
177 . 1 1 20 20 MET H H 1 8.689 0.003 . 1 . . . . 15 M H . 18878 1
178 . 1 1 20 20 MET HA H 1 4.640 0.004 . 1 . . . . 15 M HA . 18878 1
179 . 1 1 20 20 MET HB2 H 1 1.711 0.004 . 2 . . . . 15 M HB2 . 18878 1
180 . 1 1 20 20 MET HB3 H 1 1.895 0.004 . 2 . . . . 15 M HB3 . 18878 1
181 . 1 1 20 20 MET HG2 H 1 2.263 0.003 . 2 . . . . 15 M HG2 . 18878 1
182 . 1 1 20 20 MET HG3 H 1 2.162 0.003 . 2 . . . . 15 M HG3 . 18878 1
183 . 1 1 20 20 MET HE1 H 1 1.220 0.002 . 1 . . . . 15 M HE# . 18878 1
184 . 1 1 20 20 MET HE2 H 1 1.220 0.002 . 1 . . . . 15 M HE# . 18878 1
185 . 1 1 20 20 MET HE3 H 1 1.220 0.002 . 1 . . . . 15 M HE# . 18878 1
186 . 1 1 20 20 MET C C 13 175.747 0.000 . 1 . . . . 15 M C . 18878 1
187 . 1 1 20 20 MET CA C 13 53.566 0.032 . 1 . . . . 15 M CA . 18878 1
188 . 1 1 20 20 MET CB C 13 35.769 0.048 . 1 . . . . 15 M CB . 18878 1
189 . 1 1 20 20 MET CG C 13 31.760 0.053 . 1 . . . . 15 M CG . 18878 1
190 . 1 1 20 20 MET CE C 13 15.912 0.027 . 1 . . . . 15 M CE . 18878 1
191 . 1 1 20 20 MET N N 15 126.097 0.033 . 1 . . . . 15 M N . 18878 1
192 . 1 1 21 21 LYS H H 1 8.622 0.002 . 1 . . . . 16 K H . 18878 1
193 . 1 1 21 21 LYS HA H 1 4.051 0.004 . 1 . . . . 16 K HA . 18878 1
194 . 1 1 21 21 LYS HB2 H 1 1.742 0.000 . 2 . . . . 16 K HB2 . 18878 1
195 . 1 1 21 21 LYS HB3 H 1 1.802 0.002 . 2 . . . . 16 K HB3 . 18878 1
196 . 1 1 21 21 LYS HG2 H 1 1.501 0.001 . 2 . . . . 16 K HG2 . 18878 1
197 . 1 1 21 21 LYS HG3 H 1 1.360 0.000 . 2 . . . . 16 K HG3 . 18878 1
198 . 1 1 21 21 LYS HD2 H 1 1.698 0.000 . 2 . . . . 16 K HD# . 18878 1
199 . 1 1 21 21 LYS HD3 H 1 1.698 0.000 . 2 . . . . 16 K HD# . 18878 1
200 . 1 1 21 21 LYS C C 13 177.813 0.000 . 1 . . . . 16 K C . 18878 1
201 . 1 1 21 21 LYS CA C 13 58.516 0.044 . 1 . . . . 16 K CA . 18878 1
202 . 1 1 21 21 LYS CB C 13 32.054 0.077 . 1 . . . . 16 K CB . 18878 1
203 . 1 1 21 21 LYS CG C 13 24.754 0.049 . 1 . . . . 16 K CG . 18878 1
204 . 1 1 21 21 LYS CD C 13 29.389 0.002 . 1 . . . . 16 K CD . 18878 1
205 . 1 1 21 21 LYS CE C 13 42.139 0.026 . 1 . . . . 16 K CE . 18878 1
206 . 1 1 21 21 LYS N N 15 124.087 0.050 . 1 . . . . 16 K N . 18878 1
207 . 1 1 22 22 GLY H H 1 8.994 0.015 . 1 . . . . 17 G H . 18878 1
208 . 1 1 22 22 GLY HA2 H 1 4.061 0.009 . 2 . . . . 17 G HA2 . 18878 1
209 . 1 1 22 22 GLY HA3 H 1 3.618 0.003 . 2 . . . . 17 G HA3 . 18878 1
210 . 1 1 22 22 GLY C C 13 173.807 0.000 . 1 . . . . 17 G C . 18878 1
211 . 1 1 22 22 GLY CA C 13 45.201 0.047 . 1 . . . . 17 G CA . 18878 1
212 . 1 1 22 22 GLY N N 15 113.435 0.060 . 1 . . . . 17 G N . 18878 1
213 . 1 1 23 23 TYR H H 1 8.099 0.006 . 1 . . . . 18 Y H . 18878 1
214 . 1 1 23 23 TYR HA H 1 4.933 0.004 . 1 . . . . 18 Y HA . 18878 1
215 . 1 1 23 23 TYR HB2 H 1 3.211 0.001 . 2 . . . . 18 Y HB2 . 18878 1
216 . 1 1 23 23 TYR HB3 H 1 2.937 0.001 . 2 . . . . 18 Y HB3 . 18878 1
217 . 1 1 23 23 TYR HD1 H 1 6.959 0.006 . 3 . . . . 18 Y HD# . 18878 1
218 . 1 1 23 23 TYR HD2 H 1 6.959 0.006 . 3 . . . . 18 Y HD# . 18878 1
219 . 1 1 23 23 TYR HE1 H 1 6.616 0.002 . 3 . . . . 18 Y HE# . 18878 1
220 . 1 1 23 23 TYR HE2 H 1 6.616 0.002 . 3 . . . . 18 Y HE# . 18878 1
221 . 1 1 23 23 TYR CA C 13 55.700 0.043 . 1 . . . . 18 Y CA . 18878 1
222 . 1 1 23 23 TYR CB C 13 40.746 0.067 . 1 . . . . 18 Y CB . 18878 1
223 . 1 1 23 23 TYR CD1 C 13 132.755 0.000 . 3 . . . . 18 Y CD1 . 18878 1
224 . 1 1 23 23 TYR CE1 C 13 118.202 0.003 . 3 . . . . 18 Y CE1 . 18878 1
225 . 1 1 23 23 TYR N N 15 120.158 0.055 . 1 . . . . 18 Y N . 18878 1
226 . 1 1 24 24 PRO HA H 1 4.745 0.003 . 1 . . . . 19 P HA . 18878 1
227 . 1 1 24 24 PRO HB2 H 1 1.990 0.001 . 2 . . . . 19 P HB2 . 18878 1
228 . 1 1 24 24 PRO HB3 H 1 2.311 0.001 . 2 . . . . 19 P HB3 . 18878 1
229 . 1 1 24 24 PRO HG2 H 1 1.869 0.000 . 2 . . . . 19 P HG2 . 18878 1
230 . 1 1 24 24 PRO HG3 H 1 2.144 0.000 . 2 . . . . 19 P HG3 . 18878 1
231 . 1 1 24 24 PRO HD2 H 1 4.026 0.005 . 2 . . . . 19 P HD2 . 18878 1
232 . 1 1 24 24 PRO HD3 H 1 3.895 0.003 . 2 . . . . 19 P HD3 . 18878 1
233 . 1 1 24 24 PRO C C 13 176.874 0.000 . 1 . . . . 19 P C . 18878 1
234 . 1 1 24 24 PRO CA C 13 62.071 0.044 . 1 . . . . 19 P CA . 18878 1
235 . 1 1 24 24 PRO CB C 13 31.863 0.046 . 1 . . . . 19 P CB . 18878 1
236 . 1 1 24 24 PRO CG C 13 26.975 0.043 . 1 . . . . 19 P CG . 18878 1
237 . 1 1 24 24 PRO CD C 13 49.872 0.084 . 1 . . . . 19 P CD . 18878 1
238 . 1 1 25 25 HIS H H 1 8.146 0.004 . 1 . . . . 20 H H . 18878 1
239 . 1 1 25 25 HIS HA H 1 3.916 0.001 . 1 . . . . 20 H HA . 18878 1
240 . 1 1 25 25 HIS HB2 H 1 2.389 0.001 . 2 . . . . 20 H HB2 . 18878 1
241 . 1 1 25 25 HIS HB3 H 1 1.977 0.000 . 2 . . . . 20 H HB3 . 18878 1
242 . 1 1 25 25 HIS HD2 H 1 5.617 0.003 . 1 . . . . 20 H HD2 . 18878 1
243 . 1 1 25 25 HIS HE1 H 1 7.579 0.005 . 1 . . . . 20 H HE1 . 18878 1
244 . 1 1 25 25 HIS C C 13 175.919 0.000 . 1 . . . . 20 H C . 18878 1
245 . 1 1 25 25 HIS CA C 13 60.688 0.041 . 1 . . . . 20 H CA . 18878 1
246 . 1 1 25 25 HIS CB C 13 30.698 0.054 . 1 . . . . 20 H CB . 18878 1
247 . 1 1 25 25 HIS CD2 C 13 116.494 0.021 . 1 . . . . 20 H CD2 . 18878 1
248 . 1 1 25 25 HIS CE1 C 13 138.399 0.037 . 1 . . . . 20 H CE1 . 18878 1
249 . 1 1 25 25 HIS N N 15 119.115 0.052 . 1 . . . . 20 H N . 18878 1
250 . 1 1 26 26 TRP H H 1 9.200 0.010 . 1 . . . . 21 W H . 18878 1
251 . 1 1 26 26 TRP HA H 1 5.433 0.002 . 1 . . . . 21 W HA . 18878 1
252 . 1 1 26 26 TRP HB2 H 1 3.940 0.004 . 2 . . . . 21 W HB2 . 18878 1
253 . 1 1 26 26 TRP HB3 H 1 3.645 0.002 . 2 . . . . 21 W HB3 . 18878 1
254 . 1 1 26 26 TRP HD1 H 1 8.522 0.005 . 1 . . . . 21 W HD1 . 18878 1
255 . 1 1 26 26 TRP HE1 H 1 10.704 0.001 . 1 . . . . 21 W HE1 . 18878 1
256 . 1 1 26 26 TRP HE3 H 1 8.130 0.005 . 1 . . . . 21 W HE3 . 18878 1
257 . 1 1 26 26 TRP HZ2 H 1 7.386 0.003 . 1 . . . . 21 W HZ2 . 18878 1
258 . 1 1 26 26 TRP HZ3 H 1 7.105 0.006 . 1 . . . . 21 W HZ3 . 18878 1
259 . 1 1 26 26 TRP HH2 H 1 7.398 0.004 . 1 . . . . 21 W HH2 . 18878 1
260 . 1 1 26 26 TRP CA C 13 55.901 0.029 . 1 . . . . 21 W CA . 18878 1
261 . 1 1 26 26 TRP CB C 13 33.005 0.073 . 1 . . . . 21 W CB . 18878 1
262 . 1 1 26 26 TRP CD1 C 13 129.418 0.051 . 1 . . . . 21 W CD1 . 18878 1
263 . 1 1 26 26 TRP CE3 C 13 120.835 0.003 . 1 . . . . 21 W CE3 . 18878 1
264 . 1 1 26 26 TRP CZ2 C 13 115.196 0.023 . 1 . . . . 21 W CZ2 . 18878 1
265 . 1 1 26 26 TRP CZ3 C 13 120.583 0.017 . 1 . . . . 21 W CZ3 . 18878 1
266 . 1 1 26 26 TRP CH2 C 13 124.789 0.046 . 1 . . . . 21 W CH2 . 18878 1
267 . 1 1 26 26 TRP N N 15 127.387 0.011 . 1 . . . . 21 W N . 18878 1
268 . 1 1 26 26 TRP NE1 N 15 129.770 0.011 . 1 . . . . 21 W NE1 . 18878 1
269 . 1 1 27 27 PRO HA H 1 4.233 0.004 . 1 . . . . 22 P HA . 18878 1
270 . 1 1 27 27 PRO HB2 H 1 1.619 0.001 . 2 . . . . 22 P HB2 . 18878 1
271 . 1 1 27 27 PRO HB3 H 1 2.303 0.000 . 2 . . . . 22 P HB3 . 18878 1
272 . 1 1 27 27 PRO HG2 H 1 1.228 0.003 . 2 . . . . 22 P HG2 . 18878 1
273 . 1 1 27 27 PRO HG3 H 1 1.806 0.003 . 2 . . . . 22 P HG3 . 18878 1
274 . 1 1 27 27 PRO HD2 H 1 2.895 0.005 . 2 . . . . 22 P HD2 . 18878 1
275 . 1 1 27 27 PRO HD3 H 1 2.736 0.002 . 2 . . . . 22 P HD3 . 18878 1
276 . 1 1 27 27 PRO C C 13 175.223 0.000 . 1 . . . . 22 P C . 18878 1
277 . 1 1 27 27 PRO CA C 13 62.850 0.034 . 1 . . . . 22 P CA . 18878 1
278 . 1 1 27 27 PRO CB C 13 32.220 0.034 . 1 . . . . 22 P CB . 18878 1
279 . 1 1 27 27 PRO CG C 13 27.052 0.054 . 1 . . . . 22 P CG . 18878 1
280 . 1 1 27 27 PRO CD C 13 51.251 0.032 . 1 . . . . 22 P CD . 18878 1
281 . 1 1 28 28 ALA H H 1 9.365 0.003 . 1 . . . . 23 A H . 18878 1
282 . 1 1 28 28 ALA HA H 1 4.966 0.004 . 1 . . . . 23 A HA . 18878 1
283 . 1 1 28 28 ALA HB1 H 1 0.830 0.004 . 1 . . . . 23 A HB# . 18878 1
284 . 1 1 28 28 ALA HB2 H 1 0.830 0.004 . 1 . . . . 23 A HB# . 18878 1
285 . 1 1 28 28 ALA HB3 H 1 0.830 0.004 . 1 . . . . 23 A HB# . 18878 1
286 . 1 1 28 28 ALA C C 13 174.260 0.000 . 1 . . . . 23 A C . 18878 1
287 . 1 1 28 28 ALA CA C 13 52.507 0.030 . 1 . . . . 23 A CA . 18878 1
288 . 1 1 28 28 ALA CB C 13 23.250 0.066 . 1 . . . . 23 A CB . 18878 1
289 . 1 1 28 28 ALA N N 15 130.173 0.011 . 1 . . . . 23 A N . 18878 1
290 . 1 1 29 29 ARG H H 1 8.784 0.002 . 1 . . . . 24 R H . 18878 1
291 . 1 1 29 29 ARG HA H 1 5.416 0.003 . 1 . . . . 24 R HA . 18878 1
292 . 1 1 29 29 ARG HB2 H 1 1.617 0.005 . 2 . . . . 24 R HB2 . 18878 1
293 . 1 1 29 29 ARG HB3 H 1 1.556 0.004 . 2 . . . . 24 R HB3 . 18878 1
294 . 1 1 29 29 ARG HG2 H 1 1.416 0.001 . 2 . . . . 24 R HG2 . 18878 1
295 . 1 1 29 29 ARG HG3 H 1 1.242 0.008 . 2 . . . . 24 R HG3 . 18878 1
296 . 1 1 29 29 ARG HD2 H 1 3.116 0.002 . 2 . . . . 24 R HD2 . 18878 1
297 . 1 1 29 29 ARG HD3 H 1 3.003 0.008 . 2 . . . . 24 R HD3 . 18878 1
298 . 1 1 29 29 ARG C C 13 175.098 0.000 . 1 . . . . 24 R C . 18878 1
299 . 1 1 29 29 ARG CA C 13 53.634 0.038 . 1 . . . . 24 R CA . 18878 1
300 . 1 1 29 29 ARG CB C 13 35.026 0.033 . 1 . . . . 24 R CB . 18878 1
301 . 1 1 29 29 ARG CG C 13 27.117 0.051 . 1 . . . . 24 R CG . 18878 1
302 . 1 1 29 29 ARG CD C 13 43.353 0.082 . 1 . . . . 24 R CD . 18878 1
303 . 1 1 29 29 ARG N N 15 117.222 0.030 . 1 . . . . 24 R N . 18878 1
304 . 1 1 30 30 VAL H H 1 8.387 0.006 . 1 . . . . 25 V H . 18878 1
305 . 1 1 30 30 VAL HA H 1 4.076 0.002 . 1 . . . . 25 V HA . 18878 1
306 . 1 1 30 30 VAL HB H 1 2.226 0.005 . 1 . . . . 25 V HB . 18878 1
307 . 1 1 30 30 VAL HG11 H 1 0.746 0.002 . 2 . . . . 25 V QG1 . 18878 1
308 . 1 1 30 30 VAL HG12 H 1 0.746 0.002 . 2 . . . . 25 V QG1 . 18878 1
309 . 1 1 30 30 VAL HG13 H 1 0.746 0.002 . 2 . . . . 25 V QG1 . 18878 1
310 . 1 1 30 30 VAL HG21 H 1 0.824 0.002 . 2 . . . . 25 V QG2 . 18878 1
311 . 1 1 30 30 VAL HG22 H 1 0.824 0.002 . 2 . . . . 25 V QG2 . 18878 1
312 . 1 1 30 30 VAL HG23 H 1 0.824 0.002 . 2 . . . . 25 V QG2 . 18878 1
313 . 1 1 30 30 VAL C C 13 175.495 0.000 . 1 . . . . 25 V C . 18878 1
314 . 1 1 30 30 VAL CA C 13 62.920 0.071 . 1 . . . . 25 V CA . 18878 1
315 . 1 1 30 30 VAL CB C 13 31.055 0.056 . 1 . . . . 25 V CB . 18878 1
316 . 1 1 30 30 VAL CG1 C 13 21.794 0.014 . 2 . . . . 25 V CG1 . 18878 1
317 . 1 1 30 30 VAL CG2 C 13 21.764 0.036 . 2 . . . . 25 V CG2 . 18878 1
318 . 1 1 30 30 VAL N N 15 124.130 0.033 . 1 . . . . 25 V N . 18878 1
319 . 1 1 31 31 ASP H H 1 8.902 0.005 . 1 . . . . 26 D H . 18878 1
320 . 1 1 31 31 ASP HA H 1 5.193 0.003 . 1 . . . . 26 D HA . 18878 1
321 . 1 1 31 31 ASP HB2 H 1 2.188 0.003 . 2 . . . . 26 D HB2 . 18878 1
322 . 1 1 31 31 ASP HB3 H 1 2.697 0.002 . 2 . . . . 26 D HB3 . 18878 1
323 . 1 1 31 31 ASP C C 13 175.151 0.000 . 1 . . . . 26 D C . 18878 1
324 . 1 1 31 31 ASP CA C 13 52.994 0.084 . 1 . . . . 26 D CA . 18878 1
325 . 1 1 31 31 ASP CB C 13 44.217 0.081 . 1 . . . . 26 D CB . 18878 1
326 . 1 1 31 31 ASP N N 15 133.915 0.024 . 1 . . . . 26 D N . 18878 1
327 . 1 1 32 32 GLU H H 1 7.924 0.002 . 1 . . . . 27 E H . 18878 1
328 . 1 1 32 32 GLU HA H 1 4.415 0.004 . 1 . . . . 27 E HA . 18878 1
329 . 1 1 32 32 GLU HB2 H 1 1.745 0.003 . 2 . . . . 27 E HB2 . 18878 1
330 . 1 1 32 32 GLU HB3 H 1 1.913 0.004 . 2 . . . . 27 E HB3 . 18878 1
331 . 1 1 32 32 GLU HG2 H 1 2.150 0.003 . 2 . . . . 27 E QG . 18878 1
332 . 1 1 32 32 GLU HG3 H 1 2.150 0.003 . 2 . . . . 27 E QG . 18878 1
333 . 1 1 32 32 GLU C C 13 176.220 0.000 . 1 . . . . 27 E C . 18878 1
334 . 1 1 32 32 GLU CA C 13 55.358 0.086 . 1 . . . . 27 E CA . 18878 1
335 . 1 1 32 32 GLU CB C 13 31.687 0.041 . 1 . . . . 27 E CB . 18878 1
336 . 1 1 32 32 GLU CG C 13 36.218 0.020 . 1 . . . . 27 E CG . 18878 1
337 . 1 1 32 32 GLU N N 15 116.001 0.029 . 1 . . . . 27 E N . 18878 1
338 . 1 1 33 33 VAL H H 1 8.693 0.007 . 1 . . . . 28 V H . 18878 1
339 . 1 1 33 33 VAL HA H 1 4.284 0.003 . 1 . . . . 28 V HA . 18878 1
340 . 1 1 33 33 VAL HB H 1 2.104 0.003 . 1 . . . . 28 V HB . 18878 1
341 . 1 1 33 33 VAL HG11 H 1 1.046 0.007 . 2 . . . . 28 V QG1 . 18878 1
342 . 1 1 33 33 VAL HG12 H 1 1.046 0.007 . 2 . . . . 28 V QG1 . 18878 1
343 . 1 1 33 33 VAL HG13 H 1 1.046 0.007 . 2 . . . . 28 V QG1 . 18878 1
344 . 1 1 33 33 VAL HG21 H 1 1.042 0.000 . 2 . . . . 28 V QG2 . 18878 1
345 . 1 1 33 33 VAL HG22 H 1 1.042 0.000 . 2 . . . . 28 V QG2 . 18878 1
346 . 1 1 33 33 VAL HG23 H 1 1.042 0.000 . 2 . . . . 28 V QG2 . 18878 1
347 . 1 1 33 33 VAL CA C 13 60.367 0.041 . 1 . . . . 28 V CA . 18878 1
348 . 1 1 33 33 VAL CB C 13 32.306 0.035 . 1 . . . . 28 V CB . 18878 1
349 . 1 1 33 33 VAL CG1 C 13 21.462 0.060 . 2 . . . . 28 V CG1 . 18878 1
350 . 1 1 33 33 VAL CG2 C 13 21.619 0.000 . 2 . . . . 28 V CG2 . 18878 1
351 . 1 1 33 33 VAL N N 15 122.766 0.043 . 1 . . . . 28 V N . 18878 1
352 . 1 1 34 34 PRO HA H 1 4.430 0.002 . 1 . . . . 29 P HA . 18878 1
353 . 1 1 34 34 PRO HB2 H 1 2.304 0.002 . 2 . . . . 29 P HB2 . 18878 1
354 . 1 1 34 34 PRO HB3 H 1 1.901 0.002 . 2 . . . . 29 P HB3 . 18878 1
355 . 1 1 34 34 PRO HG2 H 1 1.999 0.000 . 2 . . . . 29 P QG . 18878 1
356 . 1 1 34 34 PRO HG3 H 1 1.999 0.000 . 2 . . . . 29 P QG . 18878 1
357 . 1 1 34 34 PRO HD2 H 1 3.878 0.003 . 2 . . . . 29 P HD2 . 18878 1
358 . 1 1 34 34 PRO HD3 H 1 3.627 0.002 . 2 . . . . 29 P HD3 . 18878 1
359 . 1 1 34 34 PRO C C 13 176.500 0.000 . 1 . . . . 29 P C . 18878 1
360 . 1 1 34 34 PRO CA C 13 62.818 0.038 . 1 . . . . 29 P CA . 18878 1
361 . 1 1 34 34 PRO CB C 13 32.410 0.027 . 1 . . . . 29 P CB . 18878 1
362 . 1 1 34 34 PRO CG C 13 27.403 0.041 . 1 . . . . 29 P CG . 18878 1
363 . 1 1 34 34 PRO CD C 13 51.058 0.073 . 1 . . . . 29 P CD . 18878 1
364 . 1 1 35 35 ASP H H 1 8.454 0.005 . 1 . . . . 30 D H . 18878 1
365 . 1 1 35 35 ASP HA H 1 4.424 0.002 . 1 . . . . 30 D HA . 18878 1
366 . 1 1 35 35 ASP HB2 H 1 2.607 0.003 . 2 . . . . 30 D HB# . 18878 1
367 . 1 1 35 35 ASP HB3 H 1 2.607 0.003 . 2 . . . . 30 D HB# . 18878 1
368 . 1 1 35 35 ASP C C 13 177.323 0.000 . 1 . . . . 30 D C . 18878 1
369 . 1 1 35 35 ASP CA C 13 55.693 0.045 . 1 . . . . 30 D CA . 18878 1
370 . 1 1 35 35 ASP CB C 13 40.952 0.022 . 1 . . . . 30 D CB . 18878 1
371 . 1 1 35 35 ASP N N 15 120.999 0.042 . 1 . . . . 30 D N . 18878 1
372 . 1 1 36 36 GLY H H 1 8.542 0.004 . 1 . . . . 31 G H . 18878 1
373 . 1 1 36 36 GLY HA2 H 1 3.776 0.007 . 2 . . . . 31 G HA2 . 18878 1
374 . 1 1 36 36 GLY HA3 H 1 4.094 0.003 . 2 . . . . 31 G HA3 . 18878 1
375 . 1 1 36 36 GLY C C 13 174.035 0.000 . 1 . . . . 31 G C . 18878 1
376 . 1 1 36 36 GLY CA C 13 45.397 0.049 . 1 . . . . 31 G CA . 18878 1
377 . 1 1 36 36 GLY N N 15 111.604 0.050 . 1 . . . . 31 G N . 18878 1
378 . 1 1 37 37 ALA H H 1 7.815 0.006 . 1 . . . . 32 A H . 18878 1
379 . 1 1 37 37 ALA HA H 1 4.389 0.003 . 1 . . . . 32 A HA . 18878 1
380 . 1 1 37 37 ALA HB1 H 1 1.421 0.001 . 1 . . . . 32 A HB# . 18878 1
381 . 1 1 37 37 ALA HB2 H 1 1.421 0.001 . 1 . . . . 32 A HB# . 18878 1
382 . 1 1 37 37 ALA HB3 H 1 1.421 0.001 . 1 . . . . 32 A HB# . 18878 1
383 . 1 1 37 37 ALA C C 13 177.608 0.000 . 1 . . . . 32 A C . 18878 1
384 . 1 1 37 37 ALA CA C 13 51.971 0.020 . 1 . . . . 32 A CA . 18878 1
385 . 1 1 37 37 ALA CB C 13 19.909 0.024 . 1 . . . . 32 A CB . 18878 1
386 . 1 1 37 37 ALA N N 15 122.909 0.012 . 1 . . . . 32 A N . 18878 1
387 . 1 1 38 38 VAL H H 1 8.023 0.005 . 1 . . . . 33 V H . 18878 1
388 . 1 1 38 38 VAL HA H 1 3.913 0.004 . 1 . . . . 33 V HA . 18878 1
389 . 1 1 38 38 VAL HB H 1 2.001 0.003 . 1 . . . . 33 V HB . 18878 1
390 . 1 1 38 38 VAL HG11 H 1 0.962 0.001 . 2 . . . . 33 V QG1 . 18878 1
391 . 1 1 38 38 VAL HG12 H 1 0.962 0.001 . 2 . . . . 33 V QG1 . 18878 1
392 . 1 1 38 38 VAL HG13 H 1 0.962 0.001 . 2 . . . . 33 V QG1 . 18878 1
393 . 1 1 38 38 VAL HG21 H 1 0.944 0.003 . 2 . . . . 33 V QG2 . 18878 1
394 . 1 1 38 38 VAL HG22 H 1 0.944 0.003 . 2 . . . . 33 V QG2 . 18878 1
395 . 1 1 38 38 VAL HG23 H 1 0.944 0.003 . 2 . . . . 33 V QG2 . 18878 1
396 . 1 1 38 38 VAL C C 13 175.521 0.000 . 1 . . . . 33 V C . 18878 1
397 . 1 1 38 38 VAL CA C 13 62.767 0.034 . 1 . . . . 33 V CA . 18878 1
398 . 1 1 38 38 VAL CB C 13 32.323 0.033 . 1 . . . . 33 V CB . 18878 1
399 . 1 1 38 38 VAL CG1 C 13 21.119 0.022 . 2 . . . . 33 V CG1 . 18878 1
400 . 1 1 38 38 VAL CG2 C 13 21.188 0.039 . 2 . . . . 33 V CG2 . 18878 1
401 . 1 1 38 38 VAL N N 15 119.620 0.057 . 1 . . . . 33 V N . 18878 1
402 . 1 1 39 39 LYS H H 1 8.286 0.002 . 1 . . . . 34 K H . 18878 1
403 . 1 1 39 39 LYS HA H 1 4.405 0.002 . 1 . . . . 34 K HA . 18878 1
404 . 1 1 39 39 LYS HB2 H 1 1.652 0.004 . 2 . . . . 34 K HB2 . 18878 1
405 . 1 1 39 39 LYS HB3 H 1 1.766 0.004 . 2 . . . . 34 K HB3 . 18878 1
406 . 1 1 39 39 LYS HG2 H 1 1.506 0.000 . 2 . . . . 34 K HG2 . 18878 1
407 . 1 1 39 39 LYS HG3 H 1 1.438 0.000 . 2 . . . . 34 K HG3 . 18878 1
408 . 1 1 39 39 LYS HD2 H 1 1.659 0.000 . 2 . . . . 34 K HD# . 18878 1
409 . 1 1 39 39 LYS HD3 H 1 1.659 0.000 . 2 . . . . 34 K HD# . 18878 1
410 . 1 1 39 39 LYS HE2 H 1 2.998 0.000 . 2 . . . . 34 K HE# . 18878 1
411 . 1 1 39 39 LYS HE3 H 1 2.998 0.000 . 2 . . . . 34 K HE# . 18878 1
412 . 1 1 39 39 LYS CA C 13 54.248 0.070 . 1 . . . . 34 K CA . 18878 1
413 . 1 1 39 39 LYS CB C 13 32.042 0.061 . 1 . . . . 34 K CB . 18878 1
414 . 1 1 39 39 LYS CG C 13 24.860 0.007 . 1 . . . . 34 K CG . 18878 1
415 . 1 1 39 39 LYS CD C 13 29.066 0.009 . 1 . . . . 34 K CD . 18878 1
416 . 1 1 39 39 LYS CE C 13 42.255 0.031 . 1 . . . . 34 K CE . 18878 1
417 . 1 1 39 39 LYS N N 15 125.740 0.034 . 1 . . . . 34 K N . 18878 1
418 . 1 1 40 40 PRO HA H 1 3.961 0.000 . 1 . . . . 35 P HA . 18878 1
419 . 1 1 40 40 PRO HB2 H 1 1.716 0.002 . 2 . . . . 35 P HB2 . 18878 1
420 . 1 1 40 40 PRO HB3 H 1 1.629 0.000 . 2 . . . . 35 P HB3 . 18878 1
421 . 1 1 40 40 PRO HG2 H 1 1.753 0.000 . 2 . . . . 35 P HG2 . 18878 1
422 . 1 1 40 40 PRO HG3 H 1 1.984 0.000 . 2 . . . . 35 P HG3 . 18878 1
423 . 1 1 40 40 PRO HD2 H 1 3.595 0.000 . 2 . . . . 35 P HD2 . 18878 1
424 . 1 1 40 40 PRO HD3 H 1 3.666 0.001 . 2 . . . . 35 P HD3 . 18878 1
425 . 1 1 40 40 PRO CA C 13 60.950 0.011 . 1 . . . . 35 P CA . 18878 1
426 . 1 1 40 40 PRO CB C 13 30.379 0.026 . 1 . . . . 35 P CB . 18878 1
427 . 1 1 40 40 PRO CG C 13 27.268 0.021 . 1 . . . . 35 P CG . 18878 1
428 . 1 1 40 40 PRO CD C 13 50.357 0.043 . 1 . . . . 35 P CD . 18878 1
429 . 1 1 41 41 PRO HA H 1 4.373 0.004 . 1 . . . . 36 P HA . 18878 1
430 . 1 1 41 41 PRO HB2 H 1 1.649 0.002 . 2 . . . . 36 P HB2 . 18878 1
431 . 1 1 41 41 PRO HB3 H 1 2.255 0.001 . 2 . . . . 36 P HB3 . 18878 1
432 . 1 1 41 41 PRO HG2 H 1 1.711 0.001 . 2 . . . . 36 P HG2 . 18878 1
433 . 1 1 41 41 PRO HG3 H 1 1.810 0.002 . 2 . . . . 36 P HG3 . 18878 1
434 . 1 1 41 41 PRO HD2 H 1 3.201 0.003 . 2 . . . . 36 P HD2 . 18878 1
435 . 1 1 41 41 PRO HD3 H 1 2.668 0.003 . 2 . . . . 36 P HD3 . 18878 1
436 . 1 1 41 41 PRO C C 13 175.972 0.000 . 1 . . . . 36 P C . 18878 1
437 . 1 1 41 41 PRO CA C 13 62.379 0.040 . 1 . . . . 36 P CA . 18878 1
438 . 1 1 41 41 PRO CB C 13 32.010 0.052 . 1 . . . . 36 P CB . 18878 1
439 . 1 1 41 41 PRO CG C 13 27.456 0.035 . 1 . . . . 36 P CG . 18878 1
440 . 1 1 41 41 PRO CD C 13 49.901 0.034 . 1 . . . . 36 P CD . 18878 1
441 . 1 1 42 42 THR H H 1 8.080 0.003 . 1 . . . . 37 T H . 18878 1
442 . 1 1 42 42 THR HA H 1 3.956 0.003 . 1 . . . . 37 T HA . 18878 1
443 . 1 1 42 42 THR HB H 1 4.029 0.003 . 1 . . . . 37 T HB . 18878 1
444 . 1 1 42 42 THR HG21 H 1 1.219 0.004 . 1 . . . . 37 T QG2 . 18878 1
445 . 1 1 42 42 THR HG22 H 1 1.219 0.004 . 1 . . . . 37 T QG2 . 18878 1
446 . 1 1 42 42 THR HG23 H 1 1.219 0.004 . 1 . . . . 37 T QG2 . 18878 1
447 . 1 1 42 42 THR C C 13 174.709 0.000 . 1 . . . . 37 T C . 18878 1
448 . 1 1 42 42 THR CA C 13 63.620 0.088 . 1 . . . . 37 T CA . 18878 1
449 . 1 1 42 42 THR CB C 13 69.360 0.032 . 1 . . . . 37 T CB . 18878 1
450 . 1 1 42 42 THR CG2 C 13 21.843 0.058 . 1 . . . . 37 T CG2 . 18878 1
451 . 1 1 42 42 THR N N 15 113.992 0.039 . 1 . . . . 37 T N . 18878 1
452 . 1 1 43 43 ASN H H 1 8.747 0.004 . 1 . . . . 38 N H . 18878 1
453 . 1 1 43 43 ASN HA H 1 4.500 0.004 . 1 . . . . 38 N HA . 18878 1
454 . 1 1 43 43 ASN HB2 H 1 2.994 0.003 . 2 . . . . 38 N HB# . 18878 1
455 . 1 1 43 43 ASN HB3 H 1 2.994 0.003 . 2 . . . . 38 N HB# . 18878 1
456 . 1 1 43 43 ASN HD21 H 1 7.596 0.002 . 2 . . . . 38 N HD21 . 18878 1
457 . 1 1 43 43 ASN HD22 H 1 6.901 0.001 . 2 . . . . 38 N HD22 . 18878 1
458 . 1 1 43 43 ASN C C 13 174.279 0.000 . 1 . . . . 38 N C . 18878 1
459 . 1 1 43 43 ASN CA C 13 53.993 0.020 . 1 . . . . 38 N CA . 18878 1
460 . 1 1 43 43 ASN CB C 13 37.649 0.017 . 1 . . . . 38 N CB . 18878 1
461 . 1 1 43 43 ASN N N 15 118.640 0.040 . 1 . . . . 38 N N . 18878 1
462 . 1 1 43 43 ASN ND2 N 15 112.301 0.037 . 1 . . . . 38 N ND2 . 18878 1
463 . 1 1 44 44 LYS H H 1 7.700 0.002 . 1 . . . . 39 K H . 18878 1
464 . 1 1 44 44 LYS HA H 1 4.697 0.004 . 1 . . . . 39 K HA . 18878 1
465 . 1 1 44 44 LYS HB2 H 1 1.443 0.003 . 2 . . . . 39 K HB2 . 18878 1
466 . 1 1 44 44 LYS HB3 H 1 1.562 0.003 . 2 . . . . 39 K HB3 . 18878 1
467 . 1 1 44 44 LYS HG2 H 1 1.099 0.002 . 2 . . . . 39 K HG2 . 18878 1
468 . 1 1 44 44 LYS HG3 H 1 1.348 0.003 . 2 . . . . 39 K HG3 . 18878 1
469 . 1 1 44 44 LYS HD2 H 1 1.307 0.004 . 2 . . . . 39 K HD2 . 18878 1
470 . 1 1 44 44 LYS HD3 H 1 1.454 0.001 . 2 . . . . 39 K HD3 . 18878 1
471 . 1 1 44 44 LYS HE2 H 1 2.922 0.003 . 2 . . . . 39 K HE# . 18878 1
472 . 1 1 44 44 LYS HE3 H 1 2.922 0.003 . 2 . . . . 39 K HE# . 18878 1
473 . 1 1 44 44 LYS C C 13 174.492 0.000 . 1 . . . . 39 K C . 18878 1
474 . 1 1 44 44 LYS CA C 13 54.909 0.045 . 1 . . . . 39 K CA . 18878 1
475 . 1 1 44 44 LYS CB C 13 36.538 0.052 . 1 . . . . 39 K CB . 18878 1
476 . 1 1 44 44 LYS CG C 13 25.662 0.079 . 1 . . . . 39 K CG . 18878 1
477 . 1 1 44 44 LYS CD C 13 29.335 0.037 . 1 . . . . 39 K CD . 18878 1
478 . 1 1 44 44 LYS CE C 13 42.445 0.057 . 1 . . . . 39 K CE . 18878 1
479 . 1 1 44 44 LYS N N 15 115.958 0.040 . 1 . . . . 39 K N . 18878 1
480 . 1 1 45 45 LEU H H 1 9.054 0.005 . 1 . . . . 40 L H . 18878 1
481 . 1 1 45 45 LEU HA H 1 4.972 0.003 . 1 . . . . 40 L HA . 18878 1
482 . 1 1 45 45 LEU HB2 H 1 1.467 0.003 . 2 . . . . 40 L HB2 . 18878 1
483 . 1 1 45 45 LEU HB3 H 1 1.276 0.003 . 2 . . . . 40 L HB3 . 18878 1
484 . 1 1 45 45 LEU HG H 1 1.600 0.001 . 1 . . . . 40 L HG . 18878 1
485 . 1 1 45 45 LEU HD11 H 1 0.917 0.002 . 2 . . . . 40 L QD1 . 18878 1
486 . 1 1 45 45 LEU HD12 H 1 0.917 0.002 . 2 . . . . 40 L QD1 . 18878 1
487 . 1 1 45 45 LEU HD13 H 1 0.917 0.002 . 2 . . . . 40 L QD1 . 18878 1
488 . 1 1 45 45 LEU HD21 H 1 0.811 0.002 . 2 . . . . 40 L QD2 . 18878 1
489 . 1 1 45 45 LEU HD22 H 1 0.811 0.002 . 2 . . . . 40 L QD2 . 18878 1
490 . 1 1 45 45 LEU HD23 H 1 0.811 0.002 . 2 . . . . 40 L QD2 . 18878 1
491 . 1 1 45 45 LEU CA C 13 51.929 0.053 . 1 . . . . 40 L CA . 18878 1
492 . 1 1 45 45 LEU CB C 13 44.395 0.032 . 1 . . . . 40 L CB . 18878 1
493 . 1 1 45 45 LEU CG C 13 27.817 0.051 . 1 . . . . 40 L CG . 18878 1
494 . 1 1 45 45 LEU CD1 C 13 24.402 0.029 . 2 . . . . 40 L CD1 . 18878 1
495 . 1 1 45 45 LEU CD2 C 13 25.859 0.055 . 2 . . . . 40 L CD2 . 18878 1
496 . 1 1 45 45 LEU N N 15 121.113 0.033 . 1 . . . . 40 L N . 18878 1
497 . 1 1 46 46 PRO HA H 1 4.376 0.004 . 1 . . . . 41 P HA . 18878 1
498 . 1 1 46 46 PRO HB2 H 1 1.858 0.001 . 2 . . . . 41 P HB# . 18878 1
499 . 1 1 46 46 PRO HB3 H 1 1.858 0.001 . 2 . . . . 41 P HB# . 18878 1
500 . 1 1 46 46 PRO HG2 H 1 2.286 0.002 . 2 . . . . 41 P HG2 . 18878 1
501 . 1 1 46 46 PRO HG3 H 1 1.825 0.002 . 2 . . . . 41 P HG3 . 18878 1
502 . 1 1 46 46 PRO HD2 H 1 3.712 0.002 . 2 . . . . 41 P HD2 . 18878 1
503 . 1 1 46 46 PRO HD3 H 1 3.831 0.003 . 2 . . . . 41 P HD3 . 18878 1
504 . 1 1 46 46 PRO C C 13 174.433 0.000 . 1 . . . . 41 P C . 18878 1
505 . 1 1 46 46 PRO CA C 13 61.968 0.071 . 1 . . . . 41 P CA . 18878 1
506 . 1 1 46 46 PRO CB C 13 30.604 0.034 . 1 . . . . 41 P CB . 18878 1
507 . 1 1 46 46 PRO CG C 13 27.683 0.094 . 1 . . . . 41 P CG . 18878 1
508 . 1 1 46 46 PRO CD C 13 50.098 0.053 . 1 . . . . 41 P CD . 18878 1
509 . 1 1 47 47 ILE H H 1 8.895 0.004 . 1 . . . . 42 I H . 18878 1
510 . 1 1 47 47 ILE HA H 1 4.538 0.003 . 1 . . . . 42 I HA . 18878 1
511 . 1 1 47 47 ILE HB H 1 1.755 0.005 . 1 . . . . 42 I HB . 18878 1
512 . 1 1 47 47 ILE HG12 H 1 1.800 0.004 . 2 . . . . 42 I HG12 . 18878 1
513 . 1 1 47 47 ILE HG13 H 1 0.795 0.004 . 2 . . . . 42 I HG13 . 18878 1
514 . 1 1 47 47 ILE HG21 H 1 0.002 0.004 . 1 . . . . 42 I QG2 . 18878 1
515 . 1 1 47 47 ILE HG22 H 1 0.002 0.004 . 1 . . . . 42 I QG2 . 18878 1
516 . 1 1 47 47 ILE HG23 H 1 0.002 0.004 . 1 . . . . 42 I QG2 . 18878 1
517 . 1 1 47 47 ILE HD11 H 1 0.373 0.003 . 1 . . . . 42 I QD1 . 18878 1
518 . 1 1 47 47 ILE HD12 H 1 0.373 0.003 . 1 . . . . 42 I QD1 . 18878 1
519 . 1 1 47 47 ILE HD13 H 1 0.373 0.003 . 1 . . . . 42 I QD1 . 18878 1
520 . 1 1 47 47 ILE C C 13 174.485 0.000 . 1 . . . . 42 I C . 18878 1
521 . 1 1 47 47 ILE CA C 13 57.074 0.046 . 1 . . . . 42 I CA . 18878 1
522 . 1 1 47 47 ILE CB C 13 37.355 0.054 . 1 . . . . 42 I CB . 18878 1
523 . 1 1 47 47 ILE CG1 C 13 27.444 0.080 . 1 . . . . 42 I CG1 . 18878 1
524 . 1 1 47 47 ILE CG2 C 13 19.871 0.046 . 1 . . . . 42 I CG2 . 18878 1
525 . 1 1 47 47 ILE CD1 C 13 10.564 0.055 . 1 . . . . 42 I CD1 . 18878 1
526 . 1 1 47 47 ILE N N 15 126.130 0.027 . 1 . . . . 42 I N . 18878 1
527 . 1 1 48 48 PHE H H 1 8.731 0.004 . 1 . . . . 43 F H . 18878 1
528 . 1 1 48 48 PHE HA H 1 4.817 0.001 . 1 . . . . 43 F HA . 18878 1
529 . 1 1 48 48 PHE HB2 H 1 2.445 0.003 . 2 . . . . 43 F HB2 . 18878 1
530 . 1 1 48 48 PHE HB3 H 1 2.853 0.001 . 2 . . . . 43 F HB3 . 18878 1
531 . 1 1 48 48 PHE HD1 H 1 6.371 0.003 . 3 . . . . 43 F HD# . 18878 1
532 . 1 1 48 48 PHE HD2 H 1 6.371 0.003 . 3 . . . . 43 F HD# . 18878 1
533 . 1 1 48 48 PHE HE1 H 1 6.882 0.005 . 3 . . . . 43 F HE# . 18878 1
534 . 1 1 48 48 PHE HE2 H 1 6.882 0.005 . 3 . . . . 43 F HE# . 18878 1
535 . 1 1 48 48 PHE HZ H 1 6.566 0.004 . 1 . . . . 43 F HZ . 18878 1
536 . 1 1 48 48 PHE C C 13 173.604 0.000 . 1 . . . . 43 F C . 18878 1
537 . 1 1 48 48 PHE CA C 13 56.018 0.049 . 1 . . . . 43 F CA . 18878 1
538 . 1 1 48 48 PHE CB C 13 41.212 0.026 . 1 . . . . 43 F CB . 18878 1
539 . 1 1 48 48 PHE CD1 C 13 132.084 0.030 . 3 . . . . 43 F CD1 . 18878 1
540 . 1 1 48 48 PHE CE1 C 13 130.302 0.017 . 3 . . . . 43 F CE1 . 18878 1
541 . 1 1 48 48 PHE CZ C 13 127.877 0.000 . 1 . . . . 43 F CZ . 18878 1
542 . 1 1 48 48 PHE N N 15 128.195 0.031 . 1 . . . . 43 F N . 18878 1
543 . 1 1 49 49 PHE H H 1 8.546 0.007 . 1 . . . . 44 F H . 18878 1
544 . 1 1 49 49 PHE HA H 1 4.186 0.001 . 1 . . . . 44 F HA . 18878 1
545 . 1 1 49 49 PHE HB2 H 1 2.393 0.000 . 2 . . . . 44 F HB# . 18878 1
546 . 1 1 49 49 PHE HB3 H 1 2.393 0.000 . 2 . . . . 44 F HB# . 18878 1
547 . 1 1 49 49 PHE HD1 H 1 6.795 0.006 . 3 . . . . 44 F HD# . 18878 1
548 . 1 1 49 49 PHE HD2 H 1 6.795 0.006 . 3 . . . . 44 F HD# . 18878 1
549 . 1 1 49 49 PHE HE1 H 1 6.814 0.005 . 3 . . . . 44 F HE# . 18878 1
550 . 1 1 49 49 PHE HE2 H 1 6.814 0.005 . 3 . . . . 44 F HE# . 18878 1
551 . 1 1 49 49 PHE HZ H 1 6.730 0.003 . 1 . . . . 44 F HZ . 18878 1
552 . 1 1 49 49 PHE C C 13 175.694 0.000 . 1 . . . . 44 F C . 18878 1
553 . 1 1 49 49 PHE CA C 13 57.357 0.017 . 1 . . . . 44 F CA . 18878 1
554 . 1 1 49 49 PHE CB C 13 38.938 0.075 . 1 . . . . 44 F CB . 18878 1
555 . 1 1 49 49 PHE CD1 C 13 131.526 0.083 . 3 . . . . 44 F CD1 . 18878 1
556 . 1 1 49 49 PHE CE1 C 13 130.267 0.001 . 3 . . . . 44 F CE1 . 18878 1
557 . 1 1 49 49 PHE CZ C 13 128.484 0.001 . 1 . . . . 44 F CZ . 18878 1
558 . 1 1 49 49 PHE N N 15 126.082 0.019 . 1 . . . . 44 F N . 18878 1
559 . 1 1 50 50 PHE H H 1 8.598 0.004 . 1 . . . . 45 F H . 18878 1
560 . 1 1 50 50 PHE HA H 1 4.435 0.004 . 1 . . . . 45 F HA . 18878 1
561 . 1 1 50 50 PHE HB2 H 1 3.923 0.005 . 2 . . . . 45 F HB2 . 18878 1
562 . 1 1 50 50 PHE HB3 H 1 2.532 0.005 . 2 . . . . 45 F HB3 . 18878 1
563 . 1 1 50 50 PHE HD1 H 1 7.398 0.004 . 3 . . . . 45 F HD# . 18878 1
564 . 1 1 50 50 PHE HD2 H 1 7.398 0.004 . 3 . . . . 45 F HD# . 18878 1
565 . 1 1 50 50 PHE HE1 H 1 7.298 0.003 . 3 . . . . 45 F HE# . 18878 1
566 . 1 1 50 50 PHE HE2 H 1 7.298 0.003 . 3 . . . . 45 F HE# . 18878 1
567 . 1 1 50 50 PHE HZ H 1 7.503 0.007 . 1 . . . . 45 F HZ . 18878 1
568 . 1 1 50 50 PHE C C 13 177.496 0.000 . 1 . . . . 45 F C . 18878 1
569 . 1 1 50 50 PHE CA C 13 60.300 0.031 . 1 . . . . 45 F CA . 18878 1
570 . 1 1 50 50 PHE CB C 13 39.735 0.032 . 1 . . . . 45 F CB . 18878 1
571 . 1 1 50 50 PHE CZ C 13 129.678 0.005 . 1 . . . . 45 F CZ . 18878 1
572 . 1 1 50 50 PHE N N 15 122.181 0.015 . 1 . . . . 45 F N . 18878 1
573 . 1 1 51 51 GLY H H 1 10.220 0.004 . 1 . . . . 46 G H . 18878 1
574 . 1 1 51 51 GLY HA2 H 1 2.995 0.005 . 2 . . . . 46 G HA2 . 18878 1
575 . 1 1 51 51 GLY HA3 H 1 5.239 0.005 . 2 . . . . 46 G HA3 . 18878 1
576 . 1 1 51 51 GLY C C 13 175.736 0.000 . 1 . . . . 46 G C . 18878 1
577 . 1 1 51 51 GLY CA C 13 46.824 0.016 . 1 . . . . 46 G CA . 18878 1
578 . 1 1 51 51 GLY N N 15 113.884 0.015 . 1 . . . . 46 G N . 18878 1
579 . 1 1 52 52 THR H H 1 7.849 0.005 . 1 . . . . 47 T H . 18878 1
580 . 1 1 52 52 THR HA H 1 3.952 0.002 . 1 . . . . 47 T HA . 18878 1
581 . 1 1 52 52 THR HB H 1 3.964 0.004 . 1 . . . . 47 T HB . 18878 1
582 . 1 1 52 52 THR HG21 H 1 1.174 0.004 . 1 . . . . 47 T QG2 . 18878 1
583 . 1 1 52 52 THR HG22 H 1 1.174 0.004 . 1 . . . . 47 T QG2 . 18878 1
584 . 1 1 52 52 THR HG23 H 1 1.174 0.004 . 1 . . . . 47 T QG2 . 18878 1
585 . 1 1 52 52 THR C C 13 176.039 0.000 . 1 . . . . 47 T C . 18878 1
586 . 1 1 52 52 THR CA C 13 62.087 0.022 . 1 . . . . 47 T CA . 18878 1
587 . 1 1 52 52 THR CB C 13 68.317 0.055 . 1 . . . . 47 T CB . 18878 1
588 . 1 1 52 52 THR CG2 C 13 23.461 0.030 . 1 . . . . 47 T CG2 . 18878 1
589 . 1 1 52 52 THR N N 15 111.359 0.029 . 1 . . . . 47 T N . 18878 1
590 . 1 1 53 53 HIS H H 1 7.733 0.002 . 1 . . . . 48 H H . 18878 1
591 . 1 1 53 53 HIS HA H 1 3.710 0.003 . 1 . . . . 48 H HA . 18878 1
592 . 1 1 53 53 HIS HB2 H 1 3.219 0.005 . 2 . . . . 48 H HB2 . 18878 1
593 . 1 1 53 53 HIS HB3 H 1 3.552 0.003 . 2 . . . . 48 H HB3 . 18878 1
594 . 1 1 53 53 HIS HD2 H 1 7.061 0.005 . 1 . . . . 48 H HD2 . 18878 1
595 . 1 1 53 53 HIS HE1 H 1 8.532 0.004 . 1 . . . . 48 H HE1 . 18878 1
596 . 1 1 53 53 HIS C C 13 173.468 0.000 . 1 . . . . 48 H C . 18878 1
597 . 1 1 53 53 HIS CA C 13 54.671 0.039 . 1 . . . . 48 H CA . 18878 1
598 . 1 1 53 53 HIS CB C 13 26.001 0.048 . 1 . . . . 48 H CB . 18878 1
599 . 1 1 53 53 HIS CD2 C 13 117.214 0.060 . 1 . . . . 48 H CD2 . 18878 1
600 . 1 1 53 53 HIS CE1 C 13 135.960 0.000 . 1 . . . . 48 H CE1 . 18878 1
601 . 1 1 53 53 HIS N N 15 114.833 0.043 . 1 . . . . 48 H N . 18878 1
602 . 1 1 54 54 GLU H H 1 6.740 0.005 . 1 . . . . 49 E H . 18878 1
603 . 1 1 54 54 GLU HA H 1 4.304 0.006 . 1 . . . . 49 E HA . 18878 1
604 . 1 1 54 54 GLU HB2 H 1 1.334 0.003 . 2 . . . . 49 E HB2 . 18878 1
605 . 1 1 54 54 GLU HB3 H 1 1.713 0.003 . 2 . . . . 49 E HB3 . 18878 1
606 . 1 1 54 54 GLU HG2 H 1 1.935 0.003 . 2 . . . . 49 E QG . 18878 1
607 . 1 1 54 54 GLU HG3 H 1 1.935 0.003 . 2 . . . . 49 E QG . 18878 1
608 . 1 1 54 54 GLU C C 13 174.527 0.000 . 1 . . . . 49 E C . 18878 1
609 . 1 1 54 54 GLU CA C 13 55.399 0.082 . 1 . . . . 49 E CA . 18878 1
610 . 1 1 54 54 GLU CB C 13 31.564 0.038 . 1 . . . . 49 E CB . 18878 1
611 . 1 1 54 54 GLU CG C 13 36.362 0.014 . 1 . . . . 49 E CG . 18878 1
612 . 1 1 54 54 GLU N N 15 117.550 0.033 . 1 . . . . 49 E N . 18878 1
613 . 1 1 55 55 THR H H 1 8.145 0.002 . 1 . . . . 50 T H . 18878 1
614 . 1 1 55 55 THR HA H 1 5.632 0.006 . 1 . . . . 50 T HA . 18878 1
615 . 1 1 55 55 THR HB H 1 4.003 0.003 . 1 . . . . 50 T HB . 18878 1
616 . 1 1 55 55 THR HG21 H 1 1.064 0.000 . 1 . . . . 50 T QG2 . 18878 1
617 . 1 1 55 55 THR HG22 H 1 1.064 0.000 . 1 . . . . 50 T QG2 . 18878 1
618 . 1 1 55 55 THR HG23 H 1 1.064 0.000 . 1 . . . . 50 T QG2 . 18878 1
619 . 1 1 55 55 THR C C 13 174.198 0.000 . 1 . . . . 50 T C . 18878 1
620 . 1 1 55 55 THR CA C 13 59.947 0.012 . 1 . . . . 50 T CA . 18878 1
621 . 1 1 55 55 THR CB C 13 71.748 0.038 . 1 . . . . 50 T CB . 18878 1
622 . 1 1 55 55 THR CG2 C 13 21.471 0.005 . 1 . . . . 50 T CG2 . 18878 1
623 . 1 1 55 55 THR N N 15 111.505 0.060 . 1 . . . . 50 T N . 18878 1
624 . 1 1 56 56 ALA H H 1 8.771 0.005 . 1 . . . . 51 A H . 18878 1
625 . 1 1 56 56 ALA HA H 1 4.387 0.004 . 1 . . . . 51 A HA . 18878 1
626 . 1 1 56 56 ALA HB1 H 1 1.252 0.002 . 1 . . . . 51 A HB# . 18878 1
627 . 1 1 56 56 ALA HB2 H 1 1.252 0.002 . 1 . . . . 51 A HB# . 18878 1
628 . 1 1 56 56 ALA HB3 H 1 1.252 0.002 . 1 . . . . 51 A HB# . 18878 1
629 . 1 1 56 56 ALA C C 13 174.888 0.000 . 1 . . . . 51 A C . 18878 1
630 . 1 1 56 56 ALA CA C 13 51.019 0.055 . 1 . . . . 51 A CA . 18878 1
631 . 1 1 56 56 ALA CB C 13 23.260 0.036 . 1 . . . . 51 A CB . 18878 1
632 . 1 1 56 56 ALA N N 15 124.743 0.036 . 1 . . . . 51 A N . 18878 1
633 . 1 1 57 57 PHE H H 1 8.516 0.006 . 1 . . . . 52 F H . 18878 1
634 . 1 1 57 57 PHE HA H 1 5.662 0.005 . 1 . . . . 52 F HA . 18878 1
635 . 1 1 57 57 PHE HB2 H 1 2.939 0.005 . 2 . . . . 52 F HB2 . 18878 1
636 . 1 1 57 57 PHE HB3 H 1 2.610 0.004 . 2 . . . . 52 F HB3 . 18878 1
637 . 1 1 57 57 PHE HD1 H 1 7.053 0.004 . 3 . . . . 52 F HD# . 18878 1
638 . 1 1 57 57 PHE HD2 H 1 7.053 0.004 . 3 . . . . 52 F HD# . 18878 1
639 . 1 1 57 57 PHE HE1 H 1 7.243 0.012 . 3 . . . . 52 F HE# . 18878 1
640 . 1 1 57 57 PHE HE2 H 1 7.243 0.012 . 3 . . . . 52 F HE# . 18878 1
641 . 1 1 57 57 PHE C C 13 175.547 0.000 . 1 . . . . 52 F C . 18878 1
642 . 1 1 57 57 PHE CA C 13 55.972 0.064 . 1 . . . . 52 F CA . 18878 1
643 . 1 1 57 57 PHE CB C 13 39.964 0.117 . 1 . . . . 52 F CB . 18878 1
644 . 1 1 57 57 PHE CD1 C 13 131.346 0.024 . 3 . . . . 52 F CD1 . 18878 1
645 . 1 1 57 57 PHE CE1 C 13 131.594 0.000 . 3 . . . . 52 F CE1 . 18878 1
646 . 1 1 57 57 PHE N N 15 118.078 0.014 . 1 . . . . 52 F N . 18878 1
647 . 1 1 58 58 LEU H H 1 8.551 0.003 . 1 . . . . 53 L H . 18878 1
648 . 1 1 58 58 LEU HA H 1 4.921 0.003 . 1 . . . . 53 L HA . 18878 1
649 . 1 1 58 58 LEU HB2 H 1 1.397 0.003 . 2 . . . . 53 L HB2 . 18878 1
650 . 1 1 58 58 LEU HB3 H 1 1.780 0.003 . 2 . . . . 53 L HB3 . 18878 1
651 . 1 1 58 58 LEU HG H 1 1.544 0.002 . 1 . . . . 53 L HG . 18878 1
652 . 1 1 58 58 LEU HD11 H 1 0.827 0.005 . 2 . . . . 53 L QD1 . 18878 1
653 . 1 1 58 58 LEU HD12 H 1 0.827 0.005 . 2 . . . . 53 L QD1 . 18878 1
654 . 1 1 58 58 LEU HD13 H 1 0.827 0.005 . 2 . . . . 53 L QD1 . 18878 1
655 . 1 1 58 58 LEU HD21 H 1 1.023 0.002 . 2 . . . . 53 L QD2 . 18878 1
656 . 1 1 58 58 LEU HD22 H 1 1.023 0.002 . 2 . . . . 53 L QD2 . 18878 1
657 . 1 1 58 58 LEU HD23 H 1 1.023 0.002 . 2 . . . . 53 L QD2 . 18878 1
658 . 1 1 58 58 LEU C C 13 175.895 0.000 . 1 . . . . 53 L C . 18878 1
659 . 1 1 58 58 LEU CA C 13 53.488 0.019 . 1 . . . . 53 L CA . 18878 1
660 . 1 1 58 58 LEU CB C 13 46.585 0.031 . 1 . . . . 53 L CB . 18878 1
661 . 1 1 58 58 LEU CG C 13 27.785 0.052 . 1 . . . . 53 L CG . 18878 1
662 . 1 1 58 58 LEU CD1 C 13 26.153 0.056 . 2 . . . . 53 L CD1 . 18878 1
663 . 1 1 58 58 LEU CD2 C 13 24.290 0.032 . 2 . . . . 53 L CD2 . 18878 1
664 . 1 1 58 58 LEU N N 15 123.435 0.049 . 1 . . . . 53 L N . 18878 1
665 . 1 1 59 59 GLY H H 1 9.320 0.004 . 1 . . . . 54 G H . 18878 1
666 . 1 1 59 59 GLY HA2 H 1 4.763 0.005 . 2 . . . . 54 G HA2 . 18878 1
667 . 1 1 59 59 GLY HA3 H 1 3.906 0.003 . 2 . . . . 54 G HA3 . 18878 1
668 . 1 1 59 59 GLY CA C 13 43.972 0.039 . 1 . . . . 54 G CA . 18878 1
669 . 1 1 59 59 GLY N N 15 108.538 0.017 . 1 . . . . 54 G N . 18878 1
670 . 1 1 60 60 PRO HA H 1 4.034 0.002 . 1 . . . . 55 P HA . 18878 1
671 . 1 1 60 60 PRO HB2 H 1 2.047 0.005 . 2 . . . . 55 P HB2 . 18878 1
672 . 1 1 60 60 PRO HB3 H 1 2.351 0.005 . 2 . . . . 55 P HB3 . 18878 1
673 . 1 1 60 60 PRO HG2 H 1 2.125 0.004 . 2 . . . . 55 P HG2 . 18878 1
674 . 1 1 60 60 PRO HG3 H 1 2.011 0.003 . 2 . . . . 55 P HG3 . 18878 1
675 . 1 1 60 60 PRO HD2 H 1 3.637 0.004 . 2 . . . . 55 P HD2 . 18878 1
676 . 1 1 60 60 PRO HD3 H 1 3.821 0.004 . 2 . . . . 55 P HD3 . 18878 1
677 . 1 1 60 60 PRO C C 13 177.727 0.000 . 1 . . . . 55 P C . 18878 1
678 . 1 1 60 60 PRO CA C 13 64.831 0.044 . 1 . . . . 55 P CA . 18878 1
679 . 1 1 60 60 PRO CB C 13 32.191 0.047 . 1 . . . . 55 P CB . 18878 1
680 . 1 1 60 60 PRO CG C 13 27.793 0.056 . 1 . . . . 55 P CG . 18878 1
681 . 1 1 60 60 PRO CD C 13 50.211 0.036 . 1 . . . . 55 P CD . 18878 1
682 . 1 1 61 61 LYS H H 1 8.317 0.004 . 1 . . . . 56 K H . 18878 1
683 . 1 1 61 61 LYS HA H 1 4.183 0.004 . 1 . . . . 56 K HA . 18878 1
684 . 1 1 61 61 LYS HB2 H 1 1.845 0.004 . 2 . . . . 56 K HB# . 18878 1
685 . 1 1 61 61 LYS HB3 H 1 1.845 0.004 . 2 . . . . 56 K HB# . 18878 1
686 . 1 1 61 61 LYS HG2 H 1 1.451 0.003 . 2 . . . . 56 K HG2 . 18878 1
687 . 1 1 61 61 LYS HG3 H 1 1.389 0.002 . 2 . . . . 56 K HG3 . 18878 1
688 . 1 1 61 61 LYS HE2 H 1 3.023 0.000 . 2 . . . . 56 K HE# . 18878 1
689 . 1 1 61 61 LYS HE3 H 1 3.023 0.000 . 2 . . . . 56 K HE# . 18878 1
690 . 1 1 61 61 LYS C C 13 176.620 0.000 . 1 . . . . 56 K C . 18878 1
691 . 1 1 61 61 LYS CA C 13 57.834 0.064 . 1 . . . . 56 K CA . 18878 1
692 . 1 1 61 61 LYS CB C 13 31.647 0.049 . 1 . . . . 56 K CB . 18878 1
693 . 1 1 61 61 LYS CG C 13 24.842 0.021 . 1 . . . . 56 K CG . 18878 1
694 . 1 1 61 61 LYS N N 15 115.286 0.025 . 1 . . . . 56 K N . 18878 1
695 . 1 1 62 62 ASP H H 1 7.752 0.003 . 1 . . . . 57 D H . 18878 1
696 . 1 1 62 62 ASP HA H 1 4.980 0.005 . 1 . . . . 57 D HA . 18878 1
697 . 1 1 62 62 ASP HB2 H 1 2.619 0.004 . 2 . . . . 57 D HB2 . 18878 1
698 . 1 1 62 62 ASP HB3 H 1 3.674 0.004 . 2 . . . . 57 D HB3 . 18878 1
699 . 1 1 62 62 ASP C C 13 173.345 0.000 . 1 . . . . 57 D C . 18878 1
700 . 1 1 62 62 ASP CA C 13 54.542 0.072 . 1 . . . . 57 D CA . 18878 1
701 . 1 1 62 62 ASP CB C 13 43.677 0.035 . 1 . . . . 57 D CB . 18878 1
702 . 1 1 62 62 ASP N N 15 117.929 0.026 . 1 . . . . 57 D N . 18878 1
703 . 1 1 63 63 ILE H H 1 6.798 0.004 . 1 . . . . 58 I H . 18878 1
704 . 1 1 63 63 ILE HA H 1 4.869 0.003 . 1 . . . . 58 I HA . 18878 1
705 . 1 1 63 63 ILE HB H 1 1.325 0.003 . 1 . . . . 58 I HB . 18878 1
706 . 1 1 63 63 ILE HG12 H 1 0.694 0.003 . 2 . . . . 58 I HG12 . 18878 1
707 . 1 1 63 63 ILE HG13 H 1 0.973 0.004 . 2 . . . . 58 I HG13 . 18878 1
708 . 1 1 63 63 ILE HG21 H 1 0.252 0.003 . 1 . . . . 58 I QG2 . 18878 1
709 . 1 1 63 63 ILE HG22 H 1 0.252 0.003 . 1 . . . . 58 I QG2 . 18878 1
710 . 1 1 63 63 ILE HG23 H 1 0.252 0.003 . 1 . . . . 58 I QG2 . 18878 1
711 . 1 1 63 63 ILE HD11 H 1 0.042 0.003 . 1 . . . . 58 I QD1 . 18878 1
712 . 1 1 63 63 ILE HD12 H 1 0.042 0.003 . 1 . . . . 58 I QD1 . 18878 1
713 . 1 1 63 63 ILE HD13 H 1 0.042 0.003 . 1 . . . . 58 I QD1 . 18878 1
714 . 1 1 63 63 ILE C C 13 173.411 0.000 . 1 . . . . 58 I C . 18878 1
715 . 1 1 63 63 ILE CA C 13 59.997 0.053 . 1 . . . . 58 I CA . 18878 1
716 . 1 1 63 63 ILE CB C 13 40.579 0.161 . 1 . . . . 58 I CB . 18878 1
717 . 1 1 63 63 ILE CG1 C 13 25.341 0.062 . 1 . . . . 58 I CG1 . 18878 1
718 . 1 1 63 63 ILE CG2 C 13 18.132 0.057 . 1 . . . . 58 I CG2 . 18878 1
719 . 1 1 63 63 ILE CD1 C 13 13.823 0.043 . 1 . . . . 58 I CD1 . 18878 1
720 . 1 1 63 63 ILE N N 15 114.401 0.067 . 1 . . . . 58 I N . 18878 1
721 . 1 1 64 64 PHE H H 1 8.683 0.003 . 1 . . . . 59 F H . 18878 1
722 . 1 1 64 64 PHE HA H 1 5.174 0.004 . 1 . . . . 59 F HA . 18878 1
723 . 1 1 64 64 PHE HB2 H 1 3.392 0.003 . 2 . . . . 59 F HB2 . 18878 1
724 . 1 1 64 64 PHE HB3 H 1 2.938 0.002 . 2 . . . . 59 F HB3 . 18878 1
725 . 1 1 64 64 PHE HD1 H 1 7.328 0.003 . 3 . . . . 59 F HD# . 18878 1
726 . 1 1 64 64 PHE HD2 H 1 7.328 0.003 . 3 . . . . 59 F HD# . 18878 1
727 . 1 1 64 64 PHE HE1 H 1 7.316 0.004 . 3 . . . . 59 F HE# . 18878 1
728 . 1 1 64 64 PHE HE2 H 1 7.316 0.004 . 3 . . . . 59 F HE# . 18878 1
729 . 1 1 64 64 PHE CA C 13 54.895 0.042 . 1 . . . . 59 F CA . 18878 1
730 . 1 1 64 64 PHE CB C 13 41.999 0.064 . 1 . . . . 59 F CB . 18878 1
731 . 1 1 64 64 PHE CD1 C 13 132.329 0.101 . 3 . . . . 59 F CD1 . 18878 1
732 . 1 1 64 64 PHE CE1 C 13 131.535 0.032 . 3 . . . . 59 F CE1 . 18878 1
733 . 1 1 64 64 PHE N N 15 119.594 0.049 . 1 . . . . 59 F N . 18878 1
734 . 1 1 65 65 PRO HA H 1 4.749 0.004 . 1 . . . . 60 P HA . 18878 1
735 . 1 1 65 65 PRO HB2 H 1 2.350 0.001 . 2 . . . . 60 P HB2 . 18878 1
736 . 1 1 65 65 PRO HB3 H 1 2.680 0.005 . 2 . . . . 60 P HB3 . 18878 1
737 . 1 1 65 65 PRO HG2 H 1 2.266 0.006 . 2 . . . . 60 P QG . 18878 1
738 . 1 1 65 65 PRO HG3 H 1 2.266 0.006 . 2 . . . . 60 P QG . 18878 1
739 . 1 1 65 65 PRO HD2 H 1 4.155 0.003 . 2 . . . . 60 P HD2 . 18878 1
740 . 1 1 65 65 PRO HD3 H 1 4.043 0.002 . 2 . . . . 60 P HD3 . 18878 1
741 . 1 1 65 65 PRO C C 13 177.444 0.000 . 1 . . . . 60 P C . 18878 1
742 . 1 1 65 65 PRO CA C 13 64.235 0.082 . 1 . . . . 60 P CA . 18878 1
743 . 1 1 65 65 PRO CB C 13 32.788 0.027 . 1 . . . . 60 P CB . 18878 1
744 . 1 1 65 65 PRO CG C 13 28.474 0.047 . 1 . . . . 60 P CG . 18878 1
745 . 1 1 65 65 PRO CD C 13 50.783 0.031 . 1 . . . . 60 P CD . 18878 1
746 . 1 1 66 66 TYR H H 1 8.309 0.005 . 1 . . . . 61 Y H . 18878 1
747 . 1 1 66 66 TYR HA H 1 4.491 0.002 . 1 . . . . 61 Y HA . 18878 1
748 . 1 1 66 66 TYR HB2 H 1 2.653 0.002 . 2 . . . . 61 Y HB2 . 18878 1
749 . 1 1 66 66 TYR HB3 H 1 2.762 0.004 . 2 . . . . 61 Y HB3 . 18878 1
750 . 1 1 66 66 TYR HD1 H 1 6.535 0.008 . 3 . . . . 61 Y HD# . 18878 1
751 . 1 1 66 66 TYR HD2 H 1 6.535 0.008 . 3 . . . . 61 Y HD# . 18878 1
752 . 1 1 66 66 TYR HE1 H 1 6.510 0.006 . 3 . . . . 61 Y HE# . 18878 1
753 . 1 1 66 66 TYR HE2 H 1 6.510 0.006 . 3 . . . . 61 Y HE# . 18878 1
754 . 1 1 66 66 TYR C C 13 177.561 0.000 . 1 . . . . 61 Y C . 18878 1
755 . 1 1 66 66 TYR CA C 13 61.230 0.014 . 1 . . . . 61 Y CA . 18878 1
756 . 1 1 66 66 TYR CB C 13 38.777 0.057 . 1 . . . . 61 Y CB . 18878 1
757 . 1 1 66 66 TYR CD1 C 13 133.859 0.094 . 3 . . . . 61 Y CD1 . 18878 1
758 . 1 1 66 66 TYR CE1 C 13 118.146 0.044 . 3 . . . . 61 Y CE1 . 18878 1
759 . 1 1 66 66 TYR N N 15 124.195 0.026 . 1 . . . . 61 Y N . 18878 1
760 . 1 1 67 67 SER H H 1 8.957 0.005 . 1 . . . . 62 S H . 18878 1
761 . 1 1 67 67 SER HA H 1 3.491 0.003 . 1 . . . . 62 S HA . 18878 1
762 . 1 1 67 67 SER HB2 H 1 3.937 0.002 . 2 . . . . 62 S HB# . 18878 1
763 . 1 1 67 67 SER HB3 H 1 3.937 0.002 . 2 . . . . 62 S HB# . 18878 1
764 . 1 1 67 67 SER C C 13 177.779 0.000 . 1 . . . . 62 S C . 18878 1
765 . 1 1 67 67 SER CA C 13 63.000 0.077 . 1 . . . . 62 S CA . 18878 1
766 . 1 1 67 67 SER CB C 13 62.206 0.039 . 1 . . . . 62 S CB . 18878 1
767 . 1 1 67 67 SER N N 15 114.900 0.012 . 1 . . . . 62 S N . 18878 1
768 . 1 1 68 68 GLU H H 1 8.835 0.009 . 1 . . . . 63 E H . 18878 1
769 . 1 1 68 68 GLU HA H 1 4.185 0.001 . 1 . . . . 63 E HA . 18878 1
770 . 1 1 68 68 GLU HB2 H 1 1.986 0.003 . 2 . . . . 63 E HB2 . 18878 1
771 . 1 1 68 68 GLU HB3 H 1 2.055 0.003 . 2 . . . . 63 E HB3 . 18878 1
772 . 1 1 68 68 GLU HG2 H 1 2.360 0.002 . 2 . . . . 63 E HG2 . 18878 1
773 . 1 1 68 68 GLU HG3 H 1 2.279 0.002 . 2 . . . . 63 E HG3 . 18878 1
774 . 1 1 68 68 GLU C C 13 176.528 0.000 . 1 . . . . 63 E C . 18878 1
775 . 1 1 68 68 GLU CA C 13 58.258 0.026 . 1 . . . . 63 E CA . 18878 1
776 . 1 1 68 68 GLU CB C 13 30.200 0.034 . 1 . . . . 63 E CB . 18878 1
777 . 1 1 68 68 GLU CG C 13 36.792 0.048 . 1 . . . . 63 E CG . 18878 1
778 . 1 1 68 68 GLU N N 15 118.073 0.067 . 1 . . . . 63 E N . 18878 1
779 . 1 1 69 69 ASN H H 1 7.423 0.005 . 1 . . . . 64 N H . 18878 1
780 . 1 1 69 69 ASN HA H 1 4.996 0.003 . 1 . . . . 64 N HA . 18878 1
781 . 1 1 69 69 ASN HB2 H 1 2.800 0.005 . 2 . . . . 64 N HB# . 18878 1
782 . 1 1 69 69 ASN HB3 H 1 2.800 0.005 . 2 . . . . 64 N HB# . 18878 1
783 . 1 1 69 69 ASN HD21 H 1 8.166 0.002 . 2 . . . . 64 N HD21 . 18878 1
784 . 1 1 69 69 ASN HD22 H 1 8.818 0.006 . 2 . . . . 64 N HD22 . 18878 1
785 . 1 1 69 69 ASN C C 13 174.882 0.000 . 1 . . . . 64 N C . 18878 1
786 . 1 1 69 69 ASN CA C 13 53.760 0.080 . 1 . . . . 64 N CA . 18878 1
787 . 1 1 69 69 ASN CB C 13 41.978 0.084 . 1 . . . . 64 N CB . 18878 1
788 . 1 1 69 69 ASN N N 15 113.936 0.016 . 1 . . . . 64 N N . 18878 1
789 . 1 1 69 69 ASN ND2 N 15 117.946 0.001 . 1 . . . . 64 N ND2 . 18878 1
790 . 1 1 70 70 LYS H H 1 7.563 0.006 . 1 . . . . 65 K H . 18878 1
791 . 1 1 70 70 LYS HA H 1 3.785 0.003 . 1 . . . . 65 K HA . 18878 1
792 . 1 1 70 70 LYS HB2 H 1 1.579 0.003 . 2 . . . . 65 K HB# . 18878 1
793 . 1 1 70 70 LYS HB3 H 1 1.579 0.003 . 2 . . . . 65 K HB# . 18878 1
794 . 1 1 70 70 LYS HG2 H 1 1.288 0.003 . 2 . . . . 65 K QG . 18878 1
795 . 1 1 70 70 LYS HG3 H 1 1.288 0.003 . 2 . . . . 65 K QG . 18878 1
796 . 1 1 70 70 LYS HD2 H 1 1.544 0.003 . 2 . . . . 65 K HD# . 18878 1
797 . 1 1 70 70 LYS HD3 H 1 1.544 0.003 . 2 . . . . 65 K HD# . 18878 1
798 . 1 1 70 70 LYS HE2 H 1 3.023 0.000 . 2 . . . . 65 K HE2 . 18878 1
799 . 1 1 70 70 LYS HE3 H 1 2.964 0.000 . 2 . . . . 65 K HE3 . 18878 1
800 . 1 1 70 70 LYS C C 13 178.149 0.000 . 1 . . . . 65 K C . 18878 1
801 . 1 1 70 70 LYS CA C 13 61.207 0.032 . 1 . . . . 65 K CA . 18878 1
802 . 1 1 70 70 LYS CB C 13 32.162 0.033 . 1 . . . . 65 K CB . 18878 1
803 . 1 1 70 70 LYS CG C 13 24.686 0.015 . 1 . . . . 65 K CG . 18878 1
804 . 1 1 70 70 LYS CD C 13 29.699 0.025 . 1 . . . . 65 K CD . 18878 1
805 . 1 1 70 70 LYS CE C 13 42.039 0.062 . 1 . . . . 65 K CE . 18878 1
806 . 1 1 70 70 LYS N N 15 124.577 0.028 . 1 . . . . 65 K N . 18878 1
807 . 1 1 71 71 GLU H H 1 8.457 0.004 . 1 . . . . 66 E H . 18878 1
808 . 1 1 71 71 GLU HA H 1 3.987 0.002 . 1 . . . . 66 E HA . 18878 1
809 . 1 1 71 71 GLU HB2 H 1 1.896 0.003 . 2 . . . . 66 E HB# . 18878 1
810 . 1 1 71 71 GLU HB3 H 1 1.896 0.003 . 2 . . . . 66 E HB# . 18878 1
811 . 1 1 71 71 GLU HG2 H 1 2.199 0.003 . 2 . . . . 66 E HG2 . 18878 1
812 . 1 1 71 71 GLU HG3 H 1 2.169 0.006 . 2 . . . . 66 E HG3 . 18878 1
813 . 1 1 71 71 GLU C C 13 176.894 0.000 . 1 . . . . 66 E C . 18878 1
814 . 1 1 71 71 GLU CA C 13 58.692 0.022 . 1 . . . . 66 E CA . 18878 1
815 . 1 1 71 71 GLU CB C 13 28.823 0.052 . 1 . . . . 66 E CB . 18878 1
816 . 1 1 71 71 GLU CG C 13 36.365 0.051 . 1 . . . . 66 E CG . 18878 1
817 . 1 1 71 71 GLU N N 15 118.409 0.032 . 1 . . . . 66 E N . 18878 1
818 . 1 1 72 72 LYS H H 1 7.088 0.002 . 1 . . . . 67 K H . 18878 1
819 . 1 1 72 72 LYS HA H 1 3.834 0.003 . 1 . . . . 67 K HA . 18878 1
820 . 1 1 72 72 LYS HB2 H 1 0.818 0.002 . 2 . . . . 67 K HB2 . 18878 1
821 . 1 1 72 72 LYS HB3 H 1 1.147 0.002 . 2 . . . . 67 K HB3 . 18878 1
822 . 1 1 72 72 LYS HG2 H 1 0.481 0.003 . 2 . . . . 67 K HG2 . 18878 1
823 . 1 1 72 72 LYS HG3 H 1 0.818 0.002 . 2 . . . . 67 K HG3 . 18878 1
824 . 1 1 72 72 LYS HD2 H 1 1.115 0.002 . 2 . . . . 67 K HD2 . 18878 1
825 . 1 1 72 72 LYS HD3 H 1 1.202 0.003 . 2 . . . . 67 K HD3 . 18878 1
826 . 1 1 72 72 LYS HE2 H 1 2.659 0.002 . 2 . . . . 67 K HE# . 18878 1
827 . 1 1 72 72 LYS HE3 H 1 2.659 0.002 . 2 . . . . 67 K HE# . 18878 1
828 . 1 1 72 72 LYS C C 13 178.069 0.000 . 1 . . . . 67 K C . 18878 1
829 . 1 1 72 72 LYS CA C 13 58.347 0.038 . 1 . . . . 67 K CA . 18878 1
830 . 1 1 72 72 LYS CB C 13 33.020 0.032 . 1 . . . . 67 K CB . 18878 1
831 . 1 1 72 72 LYS CG C 13 24.214 0.046 . 1 . . . . 67 K CG . 18878 1
832 . 1 1 72 72 LYS CD C 13 29.229 0.047 . 1 . . . . 67 K CD . 18878 1
833 . 1 1 72 72 LYS CE C 13 41.755 0.017 . 1 . . . . 67 K CE . 18878 1
834 . 1 1 72 72 LYS N N 15 117.182 0.039 . 1 . . . . 67 K N . 18878 1
835 . 1 1 73 73 TYR H H 1 7.337 0.003 . 1 . . . . 68 Y H . 18878 1
836 . 1 1 73 73 TYR HA H 1 4.775 0.009 . 1 . . . . 68 Y HA . 18878 1
837 . 1 1 73 73 TYR HB2 H 1 2.340 0.001 . 2 . . . . 68 Y HB2 . 18878 1
838 . 1 1 73 73 TYR HB3 H 1 0.542 0.000 . 2 . . . . 68 Y HB3 . 18878 1
839 . 1 1 73 73 TYR HD1 H 1 6.281 0.004 . 3 . . . . 68 Y HD# . 18878 1
840 . 1 1 73 73 TYR HD2 H 1 6.281 0.004 . 3 . . . . 68 Y HD# . 18878 1
841 . 1 1 73 73 TYR HE1 H 1 5.857 0.004 . 3 . . . . 68 Y HE# . 18878 1
842 . 1 1 73 73 TYR HE2 H 1 5.857 0.004 . 3 . . . . 68 Y HE# . 18878 1
843 . 1 1 73 73 TYR C C 13 177.029 0.000 . 1 . . . . 68 Y C . 18878 1
844 . 1 1 73 73 TYR CA C 13 55.305 0.015 . 1 . . . . 68 Y CA . 18878 1
845 . 1 1 73 73 TYR CB C 13 37.288 0.089 . 1 . . . . 68 Y CB . 18878 1
846 . 1 1 73 73 TYR CD1 C 13 130.996 0.003 . 3 . . . . 68 Y CD1 . 18878 1
847 . 1 1 73 73 TYR CE1 C 13 117.150 0.004 . 3 . . . . 68 Y CE1 . 18878 1
848 . 1 1 73 73 TYR N N 15 112.362 0.020 . 1 . . . . 68 Y N . 18878 1
849 . 1 1 74 74 GLY H H 1 8.050 0.004 . 1 . . . . 69 G H . 18878 1
850 . 1 1 74 74 GLY HA2 H 1 3.917 0.002 . 2 . . . . 69 G HA2 . 18878 1
851 . 1 1 74 74 GLY HA3 H 1 4.563 0.006 . 2 . . . . 69 G HA3 . 18878 1
852 . 1 1 74 74 GLY C C 13 173.505 0.000 . 1 . . . . 69 G C . 18878 1
853 . 1 1 74 74 GLY CA C 13 46.571 0.023 . 1 . . . . 69 G CA . 18878 1
854 . 1 1 74 74 GLY N N 15 110.564 0.039 . 1 . . . . 69 G N . 18878 1
855 . 1 1 75 75 LYS H H 1 7.389 0.002 . 1 . . . . 70 K H . 18878 1
856 . 1 1 75 75 LYS HA H 1 4.690 0.002 . 1 . . . . 70 K HA . 18878 1
857 . 1 1 75 75 LYS HB2 H 1 1.802 0.000 . 2 . . . . 70 K HB2 . 18878 1
858 . 1 1 75 75 LYS HB3 H 1 1.676 0.002 . 2 . . . . 70 K HB3 . 18878 1
859 . 1 1 75 75 LYS HG2 H 1 1.383 0.000 . 2 . . . . 70 K QG . 18878 1
860 . 1 1 75 75 LYS HG3 H 1 1.383 0.000 . 2 . . . . 70 K QG . 18878 1
861 . 1 1 75 75 LYS CA C 13 53.490 0.050 . 1 . . . . 70 K CA . 18878 1
862 . 1 1 75 75 LYS CB C 13 32.588 0.157 . 1 . . . . 70 K CB . 18878 1
863 . 1 1 75 75 LYS CG C 13 24.731 0.000 . 1 . . . . 70 K CG . 18878 1
864 . 1 1 75 75 LYS CD C 13 29.029 0.000 . 1 . . . . 70 K CD . 18878 1
865 . 1 1 75 75 LYS CE C 13 42.263 0.000 . 1 . . . . 70 K CE . 18878 1
866 . 1 1 75 75 LYS N N 15 120.987 0.049 . 1 . . . . 70 K N . 18878 1
867 . 1 1 76 76 PRO HA H 1 4.549 0.004 . 1 . . . . 71 P HA . 18878 1
868 . 1 1 76 76 PRO HB2 H 1 1.849 0.004 . 2 . . . . 71 P HB2 . 18878 1
869 . 1 1 76 76 PRO HB3 H 1 2.364 0.001 . 2 . . . . 71 P HB3 . 18878 1
870 . 1 1 76 76 PRO HG2 H 1 1.950 0.001 . 2 . . . . 71 P HG2 . 18878 1
871 . 1 1 76 76 PRO HG3 H 1 2.029 0.000 . 2 . . . . 71 P HG3 . 18878 1
872 . 1 1 76 76 PRO HD2 H 1 3.920 0.003 . 2 . . . . 71 P HD2 . 18878 1
873 . 1 1 76 76 PRO HD3 H 1 3.599 0.005 . 2 . . . . 71 P HD3 . 18878 1
874 . 1 1 76 76 PRO C C 13 176.117 0.000 . 1 . . . . 71 P C . 18878 1
875 . 1 1 76 76 PRO CA C 13 63.664 0.018 . 1 . . . . 71 P CA . 18878 1
876 . 1 1 76 76 PRO CB C 13 32.708 0.053 . 1 . . . . 71 P CB . 18878 1
877 . 1 1 76 76 PRO CG C 13 27.539 0.079 . 1 . . . . 71 P CG . 18878 1
878 . 1 1 76 76 PRO CD C 13 50.599 0.042 . 1 . . . . 71 P CD . 18878 1
879 . 1 1 77 77 ASN H H 1 8.671 0.002 . 1 . . . . 72 N H . 18878 1
880 . 1 1 77 77 ASN HA H 1 4.669 0.004 . 1 . . . . 72 N HA . 18878 1
881 . 1 1 77 77 ASN HB2 H 1 2.107 0.003 . 2 . . . . 72 N HB2 . 18878 1
882 . 1 1 77 77 ASN HB3 H 1 2.395 0.008 . 2 . . . . 72 N HB3 . 18878 1
883 . 1 1 77 77 ASN HD21 H 1 6.980 0.001 . 2 . . . . 72 N HD21 . 18878 1
884 . 1 1 77 77 ASN HD22 H 1 4.501 0.000 . 2 . . . . 72 N HD22 . 18878 1
885 . 1 1 77 77 ASN C C 13 174.302 0.000 . 1 . . . . 72 N C . 18878 1
886 . 1 1 77 77 ASN CA C 13 52.976 0.026 . 1 . . . . 72 N CA . 18878 1
887 . 1 1 77 77 ASN CB C 13 41.026 0.026 . 1 . . . . 72 N CB . 18878 1
888 . 1 1 77 77 ASN N N 15 119.332 0.034 . 1 . . . . 72 N N . 18878 1
889 . 1 1 77 77 ASN ND2 N 15 110.710 0.067 . 1 . . . . 72 N ND2 . 18878 1
890 . 1 1 78 78 LYS H H 1 8.292 0.004 . 1 . . . . 73 K H . 18878 1
891 . 1 1 78 78 LYS HA H 1 4.346 0.002 . 1 . . . . 73 K HA . 18878 1
892 . 1 1 78 78 LYS HB2 H 1 1.742 0.003 . 2 . . . . 73 K HB2 . 18878 1
893 . 1 1 78 78 LYS HB3 H 1 2.016 0.002 . 2 . . . . 73 K HB3 . 18878 1
894 . 1 1 78 78 LYS HG2 H 1 1.440 0.000 . 2 . . . . 73 K QG . 18878 1
895 . 1 1 78 78 LYS HG3 H 1 1.440 0.000 . 2 . . . . 73 K QG . 18878 1
896 . 1 1 78 78 LYS HD2 H 1 1.672 0.000 . 2 . . . . 73 K HD# . 18878 1
897 . 1 1 78 78 LYS HD3 H 1 1.672 0.000 . 2 . . . . 73 K HD# . 18878 1
898 . 1 1 78 78 LYS HE2 H 1 2.991 0.000 . 2 . . . . 73 K HE# . 18878 1
899 . 1 1 78 78 LYS HE3 H 1 2.991 0.000 . 2 . . . . 73 K HE# . 18878 1
900 . 1 1 78 78 LYS C C 13 177.581 0.000 . 1 . . . . 73 K C . 18878 1
901 . 1 1 78 78 LYS CA C 13 56.568 0.032 . 1 . . . . 73 K CA . 18878 1
902 . 1 1 78 78 LYS CB C 13 32.557 0.035 . 1 . . . . 73 K CB . 18878 1
903 . 1 1 78 78 LYS CG C 13 24.943 0.015 . 1 . . . . 73 K CG . 18878 1
904 . 1 1 78 78 LYS CD C 13 29.084 0.017 . 1 . . . . 73 K CD . 18878 1
905 . 1 1 78 78 LYS CE C 13 42.132 0.015 . 1 . . . . 73 K CE . 18878 1
906 . 1 1 78 78 LYS N N 15 118.453 0.029 . 1 . . . . 73 K N . 18878 1
907 . 1 1 79 79 ARG H H 1 8.841 0.004 . 1 . . . . 74 R H . 18878 1
908 . 1 1 79 79 ARG HA H 1 4.268 0.004 . 1 . . . . 74 R HA . 18878 1
909 . 1 1 79 79 ARG HB2 H 1 2.051 0.002 . 2 . . . . 74 R HB# . 18878 1
910 . 1 1 79 79 ARG HB3 H 1 2.051 0.002 . 2 . . . . 74 R HB# . 18878 1
911 . 1 1 79 79 ARG HG2 H 1 1.743 0.001 . 2 . . . . 74 R HG2 . 18878 1
912 . 1 1 79 79 ARG HG3 H 1 1.826 0.002 . 2 . . . . 74 R HG3 . 18878 1
913 . 1 1 79 79 ARG HD2 H 1 3.383 0.002 . 2 . . . . 74 R HD2 . 18878 1
914 . 1 1 79 79 ARG HD3 H 1 3.280 0.003 . 2 . . . . 74 R HD3 . 18878 1
915 . 1 1 79 79 ARG C C 13 177.814 0.000 . 1 . . . . 74 R C . 18878 1
916 . 1 1 79 79 ARG CA C 13 55.956 0.030 . 1 . . . . 74 R CA . 18878 1
917 . 1 1 79 79 ARG CB C 13 29.669 0.041 . 1 . . . . 74 R CB . 18878 1
918 . 1 1 79 79 ARG CG C 13 27.982 0.065 . 1 . . . . 74 R CG . 18878 1
919 . 1 1 79 79 ARG CD C 13 42.432 0.029 . 1 . . . . 74 R CD . 18878 1
920 . 1 1 79 79 ARG N N 15 122.314 0.021 . 1 . . . . 74 R N . 18878 1
921 . 1 1 80 80 LYS H H 1 8.940 0.005 . 1 . . . . 75 K H . 18878 1
922 . 1 1 80 80 LYS HA H 1 4.206 0.004 . 1 . . . . 75 K HA . 18878 1
923 . 1 1 80 80 LYS HB2 H 1 1.958 0.001 . 2 . . . . 75 K HB2 . 18878 1
924 . 1 1 80 80 LYS HB3 H 1 1.886 0.002 . 2 . . . . 75 K HB3 . 18878 1
925 . 1 1 80 80 LYS HG2 H 1 1.556 0.002 . 2 . . . . 75 K HG2 . 18878 1
926 . 1 1 80 80 LYS HG3 H 1 1.422 0.000 . 2 . . . . 75 K HG3 . 18878 1
927 . 1 1 80 80 LYS HD2 H 1 1.747 0.000 . 2 . . . . 75 K HD# . 18878 1
928 . 1 1 80 80 LYS HD3 H 1 1.747 0.000 . 2 . . . . 75 K HD# . 18878 1
929 . 1 1 80 80 LYS HE2 H 1 3.020 0.000 . 2 . . . . 75 K HE# . 18878 1
930 . 1 1 80 80 LYS HE3 H 1 3.020 0.000 . 2 . . . . 75 K HE# . 18878 1
931 . 1 1 80 80 LYS C C 13 177.180 0.000 . 1 . . . . 75 K C . 18878 1
932 . 1 1 80 80 LYS CA C 13 58.917 0.077 . 1 . . . . 75 K CA . 18878 1
933 . 1 1 80 80 LYS CB C 13 32.082 0.081 . 1 . . . . 75 K CB . 18878 1
934 . 1 1 80 80 LYS CG C 13 24.634 0.029 . 1 . . . . 75 K CG . 18878 1
935 . 1 1 80 80 LYS CD C 13 29.265 0.061 . 1 . . . . 75 K CD . 18878 1
936 . 1 1 80 80 LYS CE C 13 42.186 0.045 . 1 . . . . 75 K CE . 18878 1
937 . 1 1 80 80 LYS N N 15 128.232 0.028 . 1 . . . . 75 K N . 18878 1
938 . 1 1 81 81 GLY H H 1 8.928 0.002 . 1 . . . . 76 G H . 18878 1
939 . 1 1 81 81 GLY HA2 H 1 4.359 0.005 . 2 . . . . 76 G HA2 . 18878 1
940 . 1 1 81 81 GLY HA3 H 1 3.779 0.003 . 2 . . . . 76 G HA3 . 18878 1
941 . 1 1 81 81 GLY C C 13 174.951 0.000 . 1 . . . . 76 G C . 18878 1
942 . 1 1 81 81 GLY CA C 13 45.967 0.025 . 1 . . . . 76 G CA . 18878 1
943 . 1 1 81 81 GLY N N 15 114.707 0.014 . 1 . . . . 76 G N . 18878 1
944 . 1 1 82 82 PHE H H 1 8.269 0.002 . 1 . . . . 77 F H . 18878 1
945 . 1 1 82 82 PHE HA H 1 3.316 0.003 . 1 . . . . 77 F HA . 18878 1
946 . 1 1 82 82 PHE HB2 H 1 3.064 0.002 . 2 . . . . 77 F HB2 . 18878 1
947 . 1 1 82 82 PHE HB3 H 1 2.281 0.001 . 2 . . . . 77 F HB3 . 18878 1
948 . 1 1 82 82 PHE HD1 H 1 6.076 0.004 . 3 . . . . 77 F HD# . 18878 1
949 . 1 1 82 82 PHE HD2 H 1 6.076 0.004 . 3 . . . . 77 F HD# . 18878 1
950 . 1 1 82 82 PHE HE1 H 1 7.537 0.006 . 3 . . . . 77 F HE# . 18878 1
951 . 1 1 82 82 PHE HE2 H 1 7.537 0.006 . 3 . . . . 77 F HE# . 18878 1
952 . 1 1 82 82 PHE HZ H 1 7.644 0.005 . 1 . . . . 77 F HZ . 18878 1
953 . 1 1 82 82 PHE C C 13 177.450 0.000 . 1 . . . . 77 F C . 18878 1
954 . 1 1 82 82 PHE CA C 13 63.118 0.018 . 1 . . . . 77 F CA . 18878 1
955 . 1 1 82 82 PHE CB C 13 39.921 0.051 . 1 . . . . 77 F CB . 18878 1
956 . 1 1 82 82 PHE CD1 C 13 131.302 0.041 . 3 . . . . 77 F CD1 . 18878 1
957 . 1 1 82 82 PHE CE1 C 13 132.243 0.049 . 3 . . . . 77 F CE1 . 18878 1
958 . 1 1 82 82 PHE CZ C 13 129.332 0.002 . 1 . . . . 77 F CZ . 18878 1
959 . 1 1 82 82 PHE N N 15 123.878 0.061 . 1 . . . . 77 F N . 18878 1
960 . 1 1 83 83 ASN H H 1 9.129 0.003 . 1 . . . . 78 N H . 18878 1
961 . 1 1 83 83 ASN HA H 1 4.439 0.006 . 1 . . . . 78 N HA . 18878 1
962 . 1 1 83 83 ASN HB2 H 1 2.839 0.004 . 2 . . . . 78 N HB# . 18878 1
963 . 1 1 83 83 ASN HB3 H 1 2.839 0.004 . 2 . . . . 78 N HB# . 18878 1
964 . 1 1 83 83 ASN HD21 H 1 7.370 0.001 . 2 . . . . 78 N HD21 . 18878 1
965 . 1 1 83 83 ASN HD22 H 1 6.577 0.001 . 2 . . . . 78 N HD22 . 18878 1
966 . 1 1 83 83 ASN C C 13 180.187 0.000 . 1 . . . . 78 N C . 18878 1
967 . 1 1 83 83 ASN CA C 13 55.980 0.033 . 1 . . . . 78 N CA . 18878 1
968 . 1 1 83 83 ASN CB C 13 36.319 0.062 . 1 . . . . 78 N CB . 18878 1
969 . 1 1 83 83 ASN N N 15 119.831 0.009 . 1 . . . . 78 N N . 18878 1
970 . 1 1 83 83 ASN ND2 N 15 108.462 0.060 . 1 . . . . 78 N ND2 . 18878 1
971 . 1 1 84 84 GLU H H 1 9.507 0.002 . 1 . . . . 79 E H . 18878 1
972 . 1 1 84 84 GLU HA H 1 4.176 0.003 . 1 . . . . 79 E HA . 18878 1
973 . 1 1 84 84 GLU HB2 H 1 2.150 0.003 . 2 . . . . 79 E HB2 . 18878 1
974 . 1 1 84 84 GLU HB3 H 1 2.055 0.002 . 2 . . . . 79 E HB3 . 18878 1
975 . 1 1 84 84 GLU HG2 H 1 2.278 0.004 . 2 . . . . 79 E HG2 . 18878 1
976 . 1 1 84 84 GLU HG3 H 1 2.594 0.002 . 2 . . . . 79 E HG3 . 18878 1
977 . 1 1 84 84 GLU C C 13 179.249 0.000 . 1 . . . . 79 E C . 18878 1
978 . 1 1 84 84 GLU CA C 13 60.854 0.038 . 1 . . . . 79 E CA . 18878 1
979 . 1 1 84 84 GLU CB C 13 28.180 0.032 . 1 . . . . 79 E CB . 18878 1
980 . 1 1 84 84 GLU CG C 13 37.333 0.047 . 1 . . . . 79 E CG . 18878 1
981 . 1 1 84 84 GLU N N 15 124.400 0.046 . 1 . . . . 79 E N . 18878 1
982 . 1 1 85 85 GLY H H 1 8.338 0.003 . 1 . . . . 80 G H . 18878 1
983 . 1 1 85 85 GLY HA2 H 1 3.951 0.004 . 2 . . . . 80 G HA2 . 18878 1
984 . 1 1 85 85 GLY HA3 H 1 3.397 0.002 . 2 . . . . 80 G HA3 . 18878 1
985 . 1 1 85 85 GLY C C 13 175.022 0.000 . 1 . . . . 80 G C . 18878 1
986 . 1 1 85 85 GLY CA C 13 46.698 0.055 . 1 . . . . 80 G CA . 18878 1
987 . 1 1 85 85 GLY N N 15 111.451 0.032 . 1 . . . . 80 G N . 18878 1
988 . 1 1 86 86 LEU H H 1 8.274 0.004 . 1 . . . . 81 L H . 18878 1
989 . 1 1 86 86 LEU HA H 1 3.908 0.002 . 1 . . . . 81 L HA . 18878 1
990 . 1 1 86 86 LEU HB2 H 1 1.427 0.003 . 2 . . . . 81 L HB2 . 18878 1
991 . 1 1 86 86 LEU HB3 H 1 2.018 0.005 . 2 . . . . 81 L HB3 . 18878 1
992 . 1 1 86 86 LEU HG H 1 1.484 0.000 . 1 . . . . 81 L HG . 18878 1
993 . 1 1 86 86 LEU HD11 H 1 0.793 0.005 . 2 . . . . 81 L QD1 . 18878 1
994 . 1 1 86 86 LEU HD12 H 1 0.793 0.005 . 2 . . . . 81 L QD1 . 18878 1
995 . 1 1 86 86 LEU HD13 H 1 0.793 0.005 . 2 . . . . 81 L QD1 . 18878 1
996 . 1 1 86 86 LEU HD21 H 1 0.959 0.004 . 2 . . . . 81 L QD2 . 18878 1
997 . 1 1 86 86 LEU HD22 H 1 0.959 0.004 . 2 . . . . 81 L QD2 . 18878 1
998 . 1 1 86 86 LEU HD23 H 1 0.959 0.004 . 2 . . . . 81 L QD2 . 18878 1
999 . 1 1 86 86 LEU C C 13 179.193 0.000 . 1 . . . . 81 L C . 18878 1
1000 . 1 1 86 86 LEU CA C 13 56.655 0.025 . 1 . . . . 81 L CA . 18878 1
1001 . 1 1 86 86 LEU CB C 13 41.146 0.041 . 1 . . . . 81 L CB . 18878 1
1002 . 1 1 86 86 LEU CG C 13 25.819 0.148 . 1 . . . . 81 L CG . 18878 1
1003 . 1 1 86 86 LEU CD1 C 13 21.286 0.044 . 2 . . . . 81 L CD1 . 18878 1
1004 . 1 1 86 86 LEU CD2 C 13 25.848 0.063 . 2 . . . . 81 L CD2 . 18878 1
1005 . 1 1 86 86 LEU N N 15 121.201 0.038 . 1 . . . . 81 L N . 18878 1
1006 . 1 1 87 87 TRP H H 1 7.767 0.006 . 1 . . . . 82 W H . 18878 1
1007 . 1 1 87 87 TRP HA H 1 4.144 0.003 . 1 . . . . 82 W HA . 18878 1
1008 . 1 1 87 87 TRP HB2 H 1 3.300 0.001 . 2 . . . . 82 W HB2 . 18878 1
1009 . 1 1 87 87 TRP HB3 H 1 3.662 0.005 . 2 . . . . 82 W HB3 . 18878 1
1010 . 1 1 87 87 TRP HD1 H 1 7.323 0.005 . 1 . . . . 82 W HD1 . 18878 1
1011 . 1 1 87 87 TRP HE1 H 1 10.273 0.003 . 1 . . . . 82 W HE1 . 18878 1
1012 . 1 1 87 87 TRP HE3 H 1 7.473 0.005 . 1 . . . . 82 W HE3 . 18878 1
1013 . 1 1 87 87 TRP HZ2 H 1 7.429 0.005 . 1 . . . . 82 W HZ2 . 18878 1
1014 . 1 1 87 87 TRP HZ3 H 1 7.231 0.000 . 1 . . . . 82 W HZ3 . 18878 1
1015 . 1 1 87 87 TRP HH2 H 1 7.212 0.002 . 1 . . . . 82 W HH2 . 18878 1
1016 . 1 1 87 87 TRP C C 13 179.752 0.000 . 1 . . . . 82 W C . 18878 1
1017 . 1 1 87 87 TRP CA C 13 62.072 0.034 . 1 . . . . 82 W CA . 18878 1
1018 . 1 1 87 87 TRP CB C 13 28.455 0.040 . 1 . . . . 82 W CB . 18878 1
1019 . 1 1 87 87 TRP CD1 C 13 127.696 0.060 . 1 . . . . 82 W CD1 . 18878 1
1020 . 1 1 87 87 TRP CE3 C 13 120.374 0.001 . 1 . . . . 82 W CE3 . 18878 1
1021 . 1 1 87 87 TRP CZ2 C 13 115.097 0.029 . 1 . . . . 82 W CZ2 . 18878 1
1022 . 1 1 87 87 TRP CZ3 C 13 121.930 0.000 . 1 . . . . 82 W CZ3 . 18878 1
1023 . 1 1 87 87 TRP CH2 C 13 124.697 0.001 . 1 . . . . 82 W CH2 . 18878 1
1024 . 1 1 87 87 TRP N N 15 118.919 0.021 . 1 . . . . 82 W N . 18878 1
1025 . 1 1 87 87 TRP NE1 N 15 130.945 0.014 . 1 . . . . 82 W NE1 . 18878 1
1026 . 1 1 88 88 GLU H H 1 8.760 0.001 . 1 . . . . 83 E H . 18878 1
1027 . 1 1 88 88 GLU HA H 1 3.404 0.003 . 1 . . . . 83 E HA . 18878 1
1028 . 1 1 88 88 GLU HB2 H 1 2.047 0.000 . 2 . . . . 83 E HB2 . 18878 1
1029 . 1 1 88 88 GLU HB3 H 1 2.364 0.003 . 2 . . . . 83 E HB3 . 18878 1
1030 . 1 1 88 88 GLU HG2 H 1 3.225 0.005 . 2 . . . . 83 E HG2 . 18878 1
1031 . 1 1 88 88 GLU HG3 H 1 2.669 0.005 . 2 . . . . 83 E HG3 . 18878 1
1032 . 1 1 88 88 GLU C C 13 178.524 0.000 . 1 . . . . 83 E C . 18878 1
1033 . 1 1 88 88 GLU CA C 13 60.048 0.022 . 1 . . . . 83 E CA . 18878 1
1034 . 1 1 88 88 GLU CB C 13 31.038 0.086 . 1 . . . . 83 E CB . 18878 1
1035 . 1 1 88 88 GLU CG C 13 37.183 0.024 . 1 . . . . 83 E CG . 18878 1
1036 . 1 1 88 88 GLU N N 15 120.602 0.019 . 1 . . . . 83 E N . 18878 1
1037 . 1 1 89 89 ILE H H 1 7.630 0.003 . 1 . . . . 84 I H . 18878 1
1038 . 1 1 89 89 ILE HA H 1 2.451 0.002 . 1 . . . . 84 I HA . 18878 1
1039 . 1 1 89 89 ILE HB H 1 0.749 0.002 . 1 . . . . 84 I HB . 18878 1
1040 . 1 1 89 89 ILE HG12 H 1 0.001 0.007 . 2 . . . . 84 I HG12 . 18878 1
1041 . 1 1 89 89 ILE HG13 H 1 0.991 0.000 . 2 . . . . 84 I HG13 . 18878 1
1042 . 1 1 89 89 ILE HG21 H 1 0.610 0.003 . 1 . . . . 84 I QG2 . 18878 1
1043 . 1 1 89 89 ILE HG22 H 1 0.610 0.003 . 1 . . . . 84 I QG2 . 18878 1
1044 . 1 1 89 89 ILE HG23 H 1 0.610 0.003 . 1 . . . . 84 I QG2 . 18878 1
1045 . 1 1 89 89 ILE HD11 H 1 0.288 0.005 . 1 . . . . 84 I QD1 . 18878 1
1046 . 1 1 89 89 ILE HD12 H 1 0.288 0.005 . 1 . . . . 84 I QD1 . 18878 1
1047 . 1 1 89 89 ILE HD13 H 1 0.288 0.005 . 1 . . . . 84 I QD1 . 18878 1
1048 . 1 1 89 89 ILE C C 13 173.659 0.000 . 1 . . . . 84 I C . 18878 1
1049 . 1 1 89 89 ILE CA C 13 65.219 0.024 . 1 . . . . 84 I CA . 18878 1
1050 . 1 1 89 89 ILE CB C 13 37.269 0.060 . 1 . . . . 84 I CB . 18878 1
1051 . 1 1 89 89 ILE CG1 C 13 30.957 0.032 . 1 . . . . 84 I CG1 . 18878 1
1052 . 1 1 89 89 ILE CG2 C 13 16.190 0.063 . 1 . . . . 84 I CG2 . 18878 1
1053 . 1 1 89 89 ILE CD1 C 13 15.240 0.052 . 1 . . . . 84 I CD1 . 18878 1
1054 . 1 1 89 89 ILE N N 15 117.971 0.020 . 1 . . . . 84 I N . 18878 1
1055 . 1 1 90 90 ASP H H 1 5.885 0.008 . 1 . . . . 85 D H . 18878 1
1056 . 1 1 90 90 ASP HA H 1 4.569 0.004 . 1 . . . . 85 D HA . 18878 1
1057 . 1 1 90 90 ASP HB2 H 1 2.242 0.005 . 2 . . . . 85 D HB2 . 18878 1
1058 . 1 1 90 90 ASP HB3 H 1 2.394 0.004 . 2 . . . . 85 D HB3 . 18878 1
1059 . 1 1 90 90 ASP C C 13 177.292 0.000 . 1 . . . . 85 D C . 18878 1
1060 . 1 1 90 90 ASP CA C 13 54.900 0.018 . 1 . . . . 85 D CA . 18878 1
1061 . 1 1 90 90 ASP CB C 13 42.454 0.047 . 1 . . . . 85 D CB . 18878 1
1062 . 1 1 90 90 ASP N N 15 114.517 0.035 . 1 . . . . 85 D N . 18878 1
1063 . 1 1 91 91 ASN H H 1 7.457 0.005 . 1 . . . . 86 N H . 18878 1
1064 . 1 1 91 91 ASN HA H 1 4.416 0.003 . 1 . . . . 86 N HA . 18878 1
1065 . 1 1 91 91 ASN HB2 H 1 1.642 0.006 . 2 . . . . 86 N HB2 . 18878 1
1066 . 1 1 91 91 ASN HB3 H 1 0.430 0.004 . 2 . . . . 86 N HB3 . 18878 1
1067 . 1 1 91 91 ASN HD21 H 1 6.867 0.004 . 2 . . . . 86 N HD21 . 18878 1
1068 . 1 1 91 91 ASN HD22 H 1 6.174 0.006 . 2 . . . . 86 N HD22 . 18878 1
1069 . 1 1 91 91 ASN C C 13 174.511 0.000 . 1 . . . . 86 N C . 18878 1
1070 . 1 1 91 91 ASN CA C 13 54.522 0.044 . 1 . . . . 86 N CA . 18878 1
1071 . 1 1 91 91 ASN CB C 13 40.574 0.031 . 1 . . . . 86 N CB . 18878 1
1072 . 1 1 91 91 ASN N N 15 114.352 0.020 . 1 . . . . 86 N N . 18878 1
1073 . 1 1 91 91 ASN ND2 N 15 116.940 0.078 . 1 . . . . 86 N ND2 . 18878 1
1074 . 1 1 92 92 ASN H H 1 9.204 0.002 . 1 . . . . 87 N H . 18878 1
1075 . 1 1 92 92 ASN HA H 1 4.988 0.005 . 1 . . . . 87 N HA . 18878 1
1076 . 1 1 92 92 ASN HB2 H 1 2.470 0.005 . 2 . . . . 87 N HB2 . 18878 1
1077 . 1 1 92 92 ASN HB3 H 1 2.906 0.004 . 2 . . . . 87 N HB3 . 18878 1
1078 . 1 1 92 92 ASN HD21 H 1 8.049 0.000 . 2 . . . . 87 N HD21 . 18878 1
1079 . 1 1 92 92 ASN HD22 H 1 7.065 0.002 . 2 . . . . 87 N HD22 . 18878 1
1080 . 1 1 92 92 ASN CA C 13 51.606 0.017 . 1 . . . . 87 N CA . 18878 1
1081 . 1 1 92 92 ASN CB C 13 38.857 0.043 . 1 . . . . 87 N CB . 18878 1
1082 . 1 1 92 92 ASN N N 15 119.162 0.028 . 1 . . . . 87 N N . 18878 1
1083 . 1 1 92 92 ASN ND2 N 15 110.458 0.068 . 1 . . . . 87 N ND2 . 18878 1
1084 . 1 1 93 93 PRO HA H 1 4.287 0.003 . 1 . . . . 88 P HA . 18878 1
1085 . 1 1 93 93 PRO HD2 H 1 2.968 0.004 . 2 . . . . 88 P HD2 . 18878 1
1086 . 1 1 93 93 PRO HD3 H 1 3.466 0.003 . 2 . . . . 88 P HD3 . 18878 1
1087 . 1 1 93 93 PRO C C 13 177.884 0.000 . 1 . . . . 88 P C . 18878 1
1088 . 1 1 93 93 PRO CA C 13 64.579 0.029 . 1 . . . . 88 P CA . 18878 1
1089 . 1 1 93 93 PRO CB C 13 31.926 0.004 . 1 . . . . 88 P CB . 18878 1
1090 . 1 1 93 93 PRO CG C 13 27.392 0.054 . 1 . . . . 88 P CG . 18878 1
1091 . 1 1 93 93 PRO CD C 13 50.417 0.046 . 1 . . . . 88 P CD . 18878 1
1092 . 1 1 94 94 LYS H H 1 8.255 0.005 . 1 . . . . 89 K H . 18878 1
1093 . 1 1 94 94 LYS HA H 1 4.279 0.003 . 1 . . . . 89 K HA . 18878 1
1094 . 1 1 94 94 LYS HB2 H 1 1.672 0.002 . 2 . . . . 89 K HB2 . 18878 1
1095 . 1 1 94 94 LYS HB3 H 1 1.961 0.000 . 2 . . . . 89 K HB3 . 18878 1
1096 . 1 1 94 94 LYS HG2 H 1 1.321 0.006 . 2 . . . . 89 K HG2 . 18878 1
1097 . 1 1 94 94 LYS HG3 H 1 1.215 0.004 . 2 . . . . 89 K HG3 . 18878 1
1098 . 1 1 94 94 LYS HD2 H 1 1.551 0.000 . 2 . . . . 89 K HD# . 18878 1
1099 . 1 1 94 94 LYS HD3 H 1 1.551 0.000 . 2 . . . . 89 K HD# . 18878 1
1100 . 1 1 94 94 LYS HE2 H 1 2.903 0.002 . 2 . . . . 89 K HE# . 18878 1
1101 . 1 1 94 94 LYS HE3 H 1 2.903 0.002 . 2 . . . . 89 K HE# . 18878 1
1102 . 1 1 94 94 LYS C C 13 176.891 0.000 . 1 . . . . 89 K C . 18878 1
1103 . 1 1 94 94 LYS CA C 13 55.216 0.054 . 1 . . . . 89 K CA . 18878 1
1104 . 1 1 94 94 LYS CB C 13 31.584 0.073 . 1 . . . . 89 K CB . 18878 1
1105 . 1 1 94 94 LYS CG C 13 25.173 0.098 . 1 . . . . 89 K CG . 18878 1
1106 . 1 1 94 94 LYS CD C 13 29.055 0.000 . 1 . . . . 89 K CD . 18878 1
1107 . 1 1 94 94 LYS CE C 13 42.116 0.000 . 1 . . . . 89 K CE . 18878 1
1108 . 1 1 94 94 LYS N N 15 118.018 0.034 . 1 . . . . 89 K N . 18878 1
1109 . 1 1 95 95 VAL H H 1 7.335 0.003 . 1 . . . . 90 V H . 18878 1
1110 . 1 1 95 95 VAL HA H 1 3.781 0.003 . 1 . . . . 90 V HA . 18878 1
1111 . 1 1 95 95 VAL HB H 1 2.360 0.002 . 1 . . . . 90 V HB . 18878 1
1112 . 1 1 95 95 VAL HG11 H 1 1.179 0.003 . 2 . . . . 90 V QG1 . 18878 1
1113 . 1 1 95 95 VAL HG12 H 1 1.179 0.003 . 2 . . . . 90 V QG1 . 18878 1
1114 . 1 1 95 95 VAL HG13 H 1 1.179 0.003 . 2 . . . . 90 V QG1 . 18878 1
1115 . 1 1 95 95 VAL HG21 H 1 0.992 0.003 . 2 . . . . 90 V QG2 . 18878 1
1116 . 1 1 95 95 VAL HG22 H 1 0.992 0.003 . 2 . . . . 90 V QG2 . 18878 1
1117 . 1 1 95 95 VAL HG23 H 1 0.992 0.003 . 2 . . . . 90 V QG2 . 18878 1
1118 . 1 1 95 95 VAL C C 13 173.196 0.000 . 1 . . . . 90 V C . 18878 1
1119 . 1 1 95 95 VAL CA C 13 62.767 0.032 . 1 . . . . 90 V CA . 18878 1
1120 . 1 1 95 95 VAL CB C 13 31.517 0.046 . 1 . . . . 90 V CB . 18878 1
1121 . 1 1 95 95 VAL CG1 C 13 19.343 0.037 . 2 . . . . 90 V CG1 . 18878 1
1122 . 1 1 95 95 VAL CG2 C 13 21.962 0.026 . 2 . . . . 90 V CG2 . 18878 1
1123 . 1 1 95 95 VAL N N 15 121.764 0.046 . 1 . . . . 90 V N . 18878 1
1124 . 1 1 96 96 LYS H H 1 8.218 0.009 . 1 . . . . 91 K H . 18878 1
1125 . 1 1 96 96 LYS HA H 1 4.109 0.004 . 1 . . . . 91 K HA . 18878 1
1126 . 1 1 96 96 LYS HB2 H 1 1.512 0.003 . 2 . . . . 91 K HB2 . 18878 1
1127 . 1 1 96 96 LYS HB3 H 1 1.696 0.007 . 2 . . . . 91 K HB3 . 18878 1
1128 . 1 1 96 96 LYS HG2 H 1 1.324 0.000 . 2 . . . . 91 K HG2 . 18878 1
1129 . 1 1 96 96 LYS HG3 H 1 1.206 0.000 . 2 . . . . 91 K HG3 . 18878 1
1130 . 1 1 96 96 LYS C C 13 175.429 0.000 . 1 . . . . 91 K C . 18878 1
1131 . 1 1 96 96 LYS CA C 13 55.524 0.036 . 1 . . . . 91 K CA . 18878 1
1132 . 1 1 96 96 LYS CB C 13 33.713 0.065 . 1 . . . . 91 K CB . 18878 1
1133 . 1 1 96 96 LYS CG C 13 24.688 0.022 . 1 . . . . 91 K CG . 18878 1
1134 . 1 1 96 96 LYS CD C 13 29.037 0.039 . 1 . . . . 91 K CD . 18878 1
1135 . 1 1 96 96 LYS CE C 13 42.087 0.000 . 1 . . . . 91 K CE . 18878 1
1136 . 1 1 96 96 LYS N N 15 123.502 0.034 . 1 . . . . 91 K N . 18878 1
1137 . 1 1 97 97 PHE H H 1 8.259 0.006 . 1 . . . . 92 F H . 18878 1
1138 . 1 1 97 97 PHE HA H 1 4.481 0.006 . 1 . . . . 92 F HA . 18878 1
1139 . 1 1 97 97 PHE HB2 H 1 2.857 0.004 . 2 . . . . 92 F HB2 . 18878 1
1140 . 1 1 97 97 PHE HB3 H 1 3.054 0.004 . 2 . . . . 92 F HB3 . 18878 1
1141 . 1 1 97 97 PHE HD1 H 1 7.192 0.003 . 3 . . . . 92 F HD# . 18878 1
1142 . 1 1 97 97 PHE HD2 H 1 7.192 0.003 . 3 . . . . 92 F HD# . 18878 1
1143 . 1 1 97 97 PHE C C 13 175.460 0.000 . 1 . . . . 92 F C . 18878 1
1144 . 1 1 97 97 PHE CA C 13 58.222 0.069 . 1 . . . . 92 F CA . 18878 1
1145 . 1 1 97 97 PHE CB C 13 40.677 0.073 . 1 . . . . 92 F CB . 18878 1
1146 . 1 1 97 97 PHE CD1 C 13 131.581 0.000 . 3 . . . . 92 F CD1 . 18878 1
1147 . 1 1 97 97 PHE N N 15 121.039 0.073 . 1 . . . . 92 F N . 18878 1
1148 . 1 1 98 98 SER H H 1 8.158 0.002 . 1 . . . . 93 S H . 18878 1
1149 . 1 1 98 98 SER HA H 1 4.407 0.003 . 1 . . . . 93 S HA . 18878 1
1150 . 1 1 98 98 SER HB2 H 1 3.749 0.004 . 2 . . . . 93 S HB# . 18878 1
1151 . 1 1 98 98 SER HB3 H 1 3.749 0.004 . 2 . . . . 93 S HB# . 18878 1
1152 . 1 1 98 98 SER C C 13 174.096 0.000 . 1 . . . . 93 S C . 18878 1
1153 . 1 1 98 98 SER CA C 13 57.780 0.033 . 1 . . . . 93 S CA . 18878 1
1154 . 1 1 98 98 SER CB C 13 63.994 0.015 . 1 . . . . 93 S CB . 18878 1
1155 . 1 1 98 98 SER N N 15 118.834 0.063 . 1 . . . . 93 S N . 18878 1
stop_
save_