###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 50552
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'SRSF1 RRM1 bound to AACAAA CS'
_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 $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D 1H-15N NOESY' . . . 50552 1
2 '3D 1H-13C NOESY aliphatic' . . . 50552 1
3 '3D 1H-13C NOESY aromatic' . . . 50552 1
4 '2D 1H-1H NOESY' . . . 50552 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
2 $software_2 . . 50552 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 A H1' H 1 5.992 0.002 . . . . . . . 1 A H1' . 50552 1
2 . 1 . 1 1 1 A H2 H 1 8.090 0.003 . . . . . . . 1 A H2 . 50552 1
3 . 1 . 1 1 1 A H2' H 1 4.830 0.006 . . . . . . . 1 A H2' . 50552 1
4 . 1 . 1 1 1 A H3' H 1 4.764 0.002 . . . . . . . 1 A H3' . 50552 1
5 . 1 . 1 1 1 A H4' H 1 4.427 0.004 . . . . . . . 1 A H4' . 50552 1
6 . 1 . 1 1 1 A H5' H 1 3.822 0.003 . . . . . . . 1 A H5' . 50552 1
7 . 1 . 1 1 1 A H8 H 1 8.303 0.001 . . . . . . . 1 A H8 . 50552 1
8 . 1 . 1 2 2 A H1' H 1 6.036 0.002 . . . . . . . 2 A H1' . 50552 1
9 . 1 . 1 2 2 A H2 H 1 8.160 0.001 . . . . . . . 2 A H2 . 50552 1
10 . 1 . 1 2 2 A H2' H 1 4.840 0.001 . . . . . . . 2 A H2' . 50552 1
11 . 1 . 1 2 2 A H3' H 1 4.571 0.000 . . . . . . . 2 A H3' . 50552 1
12 . 1 . 1 2 2 A H4' H 1 4.426 0.000 . . . . . . . 2 A H4' . 50552 1
13 . 1 . 1 2 2 A H8 H 1 8.388 0.002 . . . . . . . 2 A H8 . 50552 1
14 . 1 . 1 3 3 C H1' H 1 6.037 0.002 . . . . . . . 3 C H1' . 50552 1
15 . 1 . 1 3 3 C H2' H 1 4.241 0.000 . . . . . . . 3 C H2' . 50552 1
16 . 1 . 1 3 3 C H4' H 1 4.678 0.000 . . . . . . . 3 C H4' . 50552 1
17 . 1 . 1 3 3 C H5 H 1 5.335 0.075 . . . . . . . 3 C H5 . 50552 1
18 . 1 . 1 3 3 C H5' H 1 4.297 0.000 . . . . . . . 3 C H5' . 50552 1
19 . 1 . 1 3 3 C H5'' H 1 4.297 0.000 . . . . . . . 3 C H5'' . 50552 1
20 . 1 . 1 3 3 C H6 H 1 7.374 0.001 . . . . . . . 3 C H6 . 50552 1
21 . 1 . 1 4 4 A H1' H 1 6.011 0.002 . . . . . . . 4 A H1' . 50552 1
22 . 1 . 1 4 4 A H2 H 1 8.025 0.002 . . . . . . . 4 A H2 . 50552 1
23 . 1 . 1 4 4 A H2' H 1 4.726 0.060 . . . . . . . 4 A H2' . 50552 1
24 . 1 . 1 4 4 A H3' H 1 4.800 0.002 . . . . . . . 4 A H3' . 50552 1
25 . 1 . 1 4 4 A H8 H 1 8.416 0.003 . . . . . . . 4 A H8 . 50552 1
26 . 1 . 1 5 5 A H1' H 1 5.980 0.004 . . . . . . . 5 A H1' . 50552 1
27 . 1 . 1 5 5 A H2 H 1 8.078 0.037 . . . . . . . 5 A H2 . 50552 1
28 . 1 . 1 5 5 A H2' H 1 4.708 0.000 . . . . . . . 5 A H2' . 50552 1
29 . 1 . 1 5 5 A H3' H 1 4.606 0.072 . . . . . . . 5 A H3' . 50552 1
30 . 1 . 1 5 5 A H8 H 1 8.303 0.000 . . . . . . . 5 A H8 . 50552 1
31 . 1 . 1 6 6 A H1' H 1 6.053 0.003 . . . . . . . 6 A H1' . 50552 1
32 . 1 . 1 6 6 A H2 H 1 8.180 0.001 . . . . . . . 6 A H2 . 50552 1
33 . 1 . 1 6 6 A H2' H 1 4.616 0.001 . . . . . . . 6 A H2' . 50552 1
34 . 1 . 1 6 6 A H3' H 1 4.535 0.000 . . . . . . . 6 A H3' . 50552 1
35 . 1 . 1 6 6 A H4' H 1 4.406 0.000 . . . . . . . 6 A H4' . 50552 1
36 . 1 . 1 6 6 A H8 H 1 8.332 0.000 . . . . . . . 6 A H8 . 50552 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 50552
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'SRSF1 RRM1 bound to AACAAA CS'
_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 $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D 1H-15N NOESY' . . . 50552 2
2 '3D 1H-13C NOESY aliphatic' . . . 50552 2
3 '3D 1H-13C NOESY aromatic' . . . 50552 2
4 '2D 1H-1H NOESY' . . . 50552 2
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
2 $software_2 . . 50552 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 2 2 ILE H H 1 8.302 0.001 . . . . . . . 7 I HN . 50552 2
2 . 2 . 2 2 2 ILE HA H 1 4.193 0.020 . . . . . . . 7 I HA . 50552 2
3 . 2 . 2 2 2 ILE HB H 1 1.862 0.003 . . . . . . . 7 I HB . 50552 2
4 . 2 . 2 2 2 ILE HG12 H 1 1.184 0.007 . . . . . . . 7 I HG12 . 50552 2
5 . 2 . 2 2 2 ILE HG13 H 1 1.492 0.017 . . . . . . . 7 I HG13 . 50552 2
6 . 2 . 2 2 2 ILE HG21 H 1 0.882 0.007 . . . . . . . 7 I QG2 . 50552 2
7 . 2 . 2 2 2 ILE HG22 H 1 0.882 0.007 . . . . . . . 7 I QG2 . 50552 2
8 . 2 . 2 2 2 ILE HG23 H 1 0.882 0.007 . . . . . . . 7 I QG2 . 50552 2
9 . 2 . 2 2 2 ILE HD11 H 1 0.858 0.022 . . . . . . . 7 I QD1 . 50552 2
10 . 2 . 2 2 2 ILE HD12 H 1 0.858 0.022 . . . . . . . 7 I QD1 . 50552 2
11 . 2 . 2 2 2 ILE HD13 H 1 0.858 0.022 . . . . . . . 7 I QD1 . 50552 2
12 . 2 . 2 2 2 ILE CA C 13 60.904 0.003 . . . . . . . 7 I CA . 50552 2
13 . 2 . 2 2 2 ILE CB C 13 38.473 0.010 . . . . . . . 7 I CB . 50552 2
14 . 2 . 2 2 2 ILE CG1 C 13 27.346 0.008 . . . . . . . 7 I CG1 . 50552 2
15 . 2 . 2 2 2 ILE CG2 C 13 17.549 0.002 . . . . . . . 7 I CG2 . 50552 2
16 . 2 . 2 2 2 ILE CD1 C 13 12.732 0.025 . . . . . . . 7 I CD1 . 50552 2
17 . 2 . 2 2 2 ILE N N 15 125.689 0.067 . . . . . . . 7 I N . 50552 2
18 . 2 . 2 3 3 ARG H H 1 8.415 0.001 . . . . . . . 8 R HN . 50552 2
19 . 2 . 2 3 3 ARG HA H 1 4.422 0.006 . . . . . . . 8 R HA . 50552 2
20 . 2 . 2 3 3 ARG HB2 H 1 1.809 0.054 . . . . . . . 8 R HB2 . 50552 2
21 . 2 . 2 3 3 ARG HB3 H 1 1.855 0.050 . . . . . . . 8 R HB3 . 50552 2
22 . 2 . 2 3 3 ARG HG2 H 1 1.681 0.010 . . . . . . . 8 R QG . 50552 2
23 . 2 . 2 3 3 ARG HG3 H 1 1.681 0.010 . . . . . . . 8 R QG . 50552 2
24 . 2 . 2 3 3 ARG HD2 H 1 3.202 0.036 . . . . . . . 8 R QD . 50552 2
25 . 2 . 2 3 3 ARG HD3 H 1 3.202 0.036 . . . . . . . 8 R QD . 50552 2
26 . 2 . 2 3 3 ARG CB C 13 31.099 0.040 . . . . . . . 8 R CB . 50552 2
27 . 2 . 2 3 3 ARG N N 15 126.038 0.056 . . . . . . . 8 R N . 50552 2
28 . 2 . 2 4 4 GLY H H 1 8.306 0.000 . . . . . . . 9 G HN . 50552 2
29 . 2 . 2 4 4 GLY HA2 H 1 4.012 0.005 . . . . . . . 9 G HA2 . 50552 2
30 . 2 . 2 4 4 GLY HA3 H 1 4.089 0.001 . . . . . . . 9 G HA3 . 50552 2
31 . 2 . 2 4 4 GLY N N 15 109.502 0.000 . . . . . . . 9 G N . 50552 2
32 . 2 . 2 5 5 PRO HG2 H 1 1.987 0.027 . . . . . . . 10 P QG . 50552 2
33 . 2 . 2 5 5 PRO HG3 H 1 1.987 0.027 . . . . . . . 10 P QG . 50552 2
34 . 2 . 2 5 5 PRO HD2 H 1 3.543 0.009 . . . . . . . 10 P HD2 . 50552 2
35 . 2 . 2 5 5 PRO HD3 H 1 3.595 0.017 . . . . . . . 10 P HD3 . 50552 2
36 . 2 . 2 5 5 PRO CD C 13 49.886 0.057 . . . . . . . 10 P CD . 50552 2
37 . 2 . 2 6 6 ALA H H 1 8.481 0.003 . . . . . . . 11 A HN . 50552 2
38 . 2 . 2 6 6 ALA HA H 1 4.327 0.012 . . . . . . . 11 A HA . 50552 2
39 . 2 . 2 6 6 ALA HB1 H 1 1.417 0.008 . . . . . . . 11 A HB# . 50552 2
40 . 2 . 2 6 6 ALA HB2 H 1 1.417 0.008 . . . . . . . 11 A HB# . 50552 2
41 . 2 . 2 6 6 ALA HB3 H 1 1.417 0.008 . . . . . . . 11 A HB# . 50552 2
42 . 2 . 2 6 6 ALA CA C 13 52.701 0.000 . . . . . . . 11 A CA . 50552 2
43 . 2 . 2 6 6 ALA CB C 13 19.195 0.024 . . . . . . . 11 A CB . 50552 2
44 . 2 . 2 6 6 ALA N N 15 123.883 0.000 . . . . . . . 11 A N . 50552 2
45 . 2 . 2 7 7 GLY H H 1 8.323 0.000 . . . . . . . 12 G HN . 50552 2
46 . 2 . 2 7 7 GLY HA2 H 1 4.036 0.006 . . . . . . . 12 G QA . 50552 2
47 . 2 . 2 7 7 GLY HA3 H 1 4.036 0.006 . . . . . . . 12 G QA . 50552 2
48 . 2 . 2 7 7 GLY N N 15 107.519 0.000 . . . . . . . 12 G N . 50552 2
49 . 2 . 2 8 8 ASN HB2 H 1 2.745 0.000 . . . . . . . 13 N HB2 . 50552 2
50 . 2 . 2 8 8 ASN HB3 H 1 2.844 0.000 . . . . . . . 13 N HB3 . 50552 2
51 . 2 . 2 8 8 ASN HD21 H 1 7.608 0.001 . . . . . . . 13 N HD21 . 50552 2
52 . 2 . 2 8 8 ASN HD22 H 1 6.889 0.001 . . . . . . . 13 N HD22 . 50552 2
53 . 2 . 2 8 8 ASN ND2 N 15 113.181 0.053 . . . . . . . 13 N ND2 . 50552 2
54 . 2 . 2 9 9 ASN HB2 H 1 2.760 0.000 . . . . . . . 14 N HB2 . 50552 2
55 . 2 . 2 9 9 ASN HB3 H 1 2.868 0.000 . . . . . . . 14 N HB3 . 50552 2
56 . 2 . 2 9 9 ASN HD21 H 1 7.519 0.000 . . . . . . . 14 N HD21 . 50552 2
57 . 2 . 2 9 9 ASN HD22 H 1 6.983 0.000 . . . . . . . 14 N HD22 . 50552 2
58 . 2 . 2 9 9 ASN ND2 N 15 113.097 0.007 . . . . . . . 14 N ND2 . 50552 2
59 . 2 . 2 10 10 ASP H H 1 8.388 0.035 . . . . . . . 15 D HN . 50552 2
60 . 2 . 2 10 10 ASP HA H 1 4.691 0.012 . . . . . . . 15 D HA . 50552 2
61 . 2 . 2 10 10 ASP HB2 H 1 2.717 0.018 . . . . . . . 15 D HB2 . 50552 2
62 . 2 . 2 10 10 ASP HB3 H 1 2.845 0.010 . . . . . . . 15 D HB3 . 50552 2
63 . 2 . 2 10 10 ASP CB C 13 41.078 0.037 . . . . . . . 15 D CB . 50552 2
64 . 2 . 2 10 10 ASP N N 15 120.236 0.009 . . . . . . . 15 D N . 50552 2
65 . 2 . 2 11 11 CYS H H 1 8.360 0.016 . . . . . . . 16 C HN . 50552 2
66 . 2 . 2 11 11 CYS HA H 1 4.548 0.000 . . . . . . . 16 C HA . 50552 2
67 . 2 . 2 11 11 CYS HB2 H 1 3.120 0.008 . . . . . . . 16 C HB2 . 50552 2
68 . 2 . 2 11 11 CYS HB3 H 1 3.534 0.005 . . . . . . . 16 C HB3 . 50552 2
69 . 2 . 2 11 11 CYS CB C 13 29.441 0.005 . . . . . . . 16 C CB . 50552 2
70 . 2 . 2 11 11 CYS N N 15 115.571 0.004 . . . . . . . 16 C N . 50552 2
71 . 2 . 2 12 12 ARG H H 1 7.750 0.003 . . . . . . . 17 R HN . 50552 2
72 . 2 . 2 12 12 ARG HA H 1 5.401 0.013 . . . . . . . 17 R HA . 50552 2
73 . 2 . 2 12 12 ARG HB2 H 1 1.774 0.018 . . . . . . . 17 R HB2 . 50552 2
74 . 2 . 2 12 12 ARG HB3 H 1 1.951 0.010 . . . . . . . 17 R HB3 . 50552 2
75 . 2 . 2 12 12 ARG HG2 H 1 1.563 0.007 . . . . . . . 17 R QG . 50552 2
76 . 2 . 2 12 12 ARG HG3 H 1 1.563 0.007 . . . . . . . 17 R QG . 50552 2
77 . 2 . 2 12 12 ARG HD2 H 1 3.149 0.000 . . . . . . . 17 R HD2 . 50552 2
78 . 2 . 2 12 12 ARG HD3 H 1 3.180 0.000 . . . . . . . 17 R HD3 . 50552 2
79 . 2 . 2 12 12 ARG CA C 13 55.343 0.000 . . . . . . . 17 R CA . 50552 2
80 . 2 . 2 12 12 ARG CB C 13 33.377 0.065 . . . . . . . 17 R CB . 50552 2
81 . 2 . 2 12 12 ARG CG C 13 28.439 0.000 . . . . . . . 17 R CG . 50552 2
82 . 2 . 2 12 12 ARG N N 15 121.968 0.003 . . . . . . . 17 R N . 50552 2
83 . 2 . 2 13 13 ILE H H 1 9.053 0.024 . . . . . . . 18 I HN . 50552 2
84 . 2 . 2 13 13 ILE HA H 1 4.874 0.006 . . . . . . . 18 I HA . 50552 2
85 . 2 . 2 13 13 ILE HB H 1 1.560 0.030 . . . . . . . 18 I HB . 50552 2
86 . 2 . 2 13 13 ILE HG12 H 1 1.168 0.015 . . . . . . . 18 I QG1 . 50552 2
87 . 2 . 2 13 13 ILE HG13 H 1 1.168 0.015 . . . . . . . 18 I QG1 . 50552 2
88 . 2 . 2 13 13 ILE HG21 H 1 0.534 0.024 . . . . . . . 18 I QG2 . 50552 2
89 . 2 . 2 13 13 ILE HG22 H 1 0.534 0.024 . . . . . . . 18 I QG2 . 50552 2
90 . 2 . 2 13 13 ILE HG23 H 1 0.534 0.024 . . . . . . . 18 I QG2 . 50552 2
91 . 2 . 2 13 13 ILE HD11 H 1 0.336 0.016 . . . . . . . 18 I QD1 . 50552 2
92 . 2 . 2 13 13 ILE HD12 H 1 0.336 0.016 . . . . . . . 18 I QD1 . 50552 2
93 . 2 . 2 13 13 ILE HD13 H 1 0.336 0.016 . . . . . . . 18 I QD1 . 50552 2
94 . 2 . 2 13 13 ILE CA C 13 59.451 0.021 . . . . . . . 18 I CA . 50552 2
95 . 2 . 2 13 13 ILE CB C 13 40.618 0.009 . . . . . . . 18 I CB . 50552 2
96 . 2 . 2 13 13 ILE CG1 C 13 27.355 0.000 . . . . . . . 18 I CG1 . 50552 2
97 . 2 . 2 13 13 ILE CG2 C 13 18.798 0.012 . . . . . . . 18 I CG2 . 50552 2
98 . 2 . 2 13 13 ILE CD1 C 13 14.599 0.006 . . . . . . . 18 I CD1 . 50552 2
99 . 2 . 2 13 13 ILE N N 15 116.071 0.007 . . . . . . . 18 I N . 50552 2
100 . 2 . 2 14 14 TYR H H 1 9.115 0.001 . . . . . . . 19 Y HN . 50552 2
101 . 2 . 2 14 14 TYR HA H 1 4.842 0.039 . . . . . . . 19 Y HA . 50552 2
102 . 2 . 2 14 14 TYR HB2 H 1 2.671 0.012 . . . . . . . 19 Y HB2 . 50552 2
103 . 2 . 2 14 14 TYR HB3 H 1 2.785 0.076 . . . . . . . 19 Y HB3 . 50552 2
104 . 2 . 2 14 14 TYR HD1 H 1 6.465 0.067 . . . . . . . 19 Y QD . 50552 2
105 . 2 . 2 14 14 TYR HD2 H 1 6.465 0.067 . . . . . . . 19 Y QD . 50552 2
106 . 2 . 2 14 14 TYR HE1 H 1 6.135 0.009 . . . . . . . 19 Y QE . 50552 2
107 . 2 . 2 14 14 TYR HE2 H 1 6.135 0.009 . . . . . . . 19 Y QE . 50552 2
108 . 2 . 2 14 14 TYR CD1 C 13 132.862 0.007 . . . . . . . 19 Y CD1 . 50552 2
109 . 2 . 2 14 14 TYR CE1 C 13 117.949 0.000 . . . . . . . 19 Y CE1 . 50552 2
110 . 2 . 2 14 14 TYR N N 15 123.883 0.037 . . . . . . . 19 Y N . 50552 2
111 . 2 . 2 15 15 VAL H H 1 8.347 0.029 . . . . . . . 20 V HN . 50552 2
112 . 2 . 2 15 15 VAL HA H 1 4.767 0.033 . . . . . . . 20 V HA . 50552 2
113 . 2 . 2 15 15 VAL HB H 1 1.750 0.012 . . . . . . . 20 V HB . 50552 2
114 . 2 . 2 15 15 VAL HG11 H 1 0.618 0.003 . . . . . . . 20 V QG1 . 50552 2
115 . 2 . 2 15 15 VAL HG12 H 1 0.618 0.003 . . . . . . . 20 V QG1 . 50552 2
116 . 2 . 2 15 15 VAL HG13 H 1 0.618 0.003 . . . . . . . 20 V QG1 . 50552 2
117 . 2 . 2 15 15 VAL HG21 H 1 0.928 0.011 . . . . . . . 20 V QG2 . 50552 2
118 . 2 . 2 15 15 VAL HG22 H 1 0.928 0.011 . . . . . . . 20 V QG2 . 50552 2
119 . 2 . 2 15 15 VAL HG23 H 1 0.928 0.011 . . . . . . . 20 V QG2 . 50552 2
120 . 2 . 2 15 15 VAL CB C 13 33.580 0.007 . . . . . . . 20 V CB . 50552 2
121 . 2 . 2 15 15 VAL CG1 C 13 21.815 0.001 . . . . . . . 20 V CG1 . 50552 2
122 . 2 . 2 15 15 VAL CG2 C 13 21.868 0.000 . . . . . . . 20 V CG2 . 50552 2
123 . 2 . 2 15 15 VAL N N 15 126.438 0.006 . . . . . . . 20 V N . 50552 2
124 . 2 . 2 16 16 GLY H H 1 9.486 0.014 . . . . . . . 21 G HN . 50552 2
125 . 2 . 2 16 16 GLY HA2 H 1 3.685 0.011 . . . . . . . 21 G HA2 . 50552 2
126 . 2 . 2 16 16 GLY HA3 H 1 4.670 0.004 . . . . . . . 21 G HA3 . 50552 2
127 . 2 . 2 16 16 GLY CA C 13 43.208 0.019 . . . . . . . 21 G CA . 50552 2
128 . 2 . 2 16 16 GLY N N 15 113.431 0.004 . . . . . . . 21 G N . 50552 2
129 . 2 . 2 17 17 ASN H H 1 9.082 0.009 . . . . . . . 22 N HN . 50552 2
130 . 2 . 2 17 17 ASN HA H 1 4.280 0.019 . . . . . . . 22 N HA . 50552 2
131 . 2 . 2 17 17 ASN HB2 H 1 2.456 0.002 . . . . . . . 22 N HB2 . 50552 2
132 . 2 . 2 17 17 ASN HB3 H 1 3.973 0.003 . . . . . . . 22 N HB3 . 50552 2
133 . 2 . 2 17 17 ASN HD21 H 1 6.793 0.000 . . . . . . . 22 N HD21 . 50552 2
134 . 2 . 2 17 17 ASN HD22 H 1 8.221 0.000 . . . . . . . 22 N HD22 . 50552 2
135 . 2 . 2 17 17 ASN CA C 13 53.961 0.014 . . . . . . . 22 N CA . 50552 2
136 . 2 . 2 17 17 ASN CB C 13 38.455 0.013 . . . . . . . 22 N CB . 50552 2
137 . 2 . 2 17 17 ASN N N 15 116.044 0.002 . . . . . . . 22 N N . 50552 2
138 . 2 . 2 17 17 ASN ND2 N 15 111.706 0.009 . . . . . . . 22 N ND2 . 50552 2
139 . 2 . 2 18 18 LEU H H 1 6.644 0.001 . . . . . . . 23 L HN . 50552 2
140 . 2 . 2 18 18 LEU HA H 1 4.117 0.005 . . . . . . . 23 L HA . 50552 2
141 . 2 . 2 18 18 LEU HB2 H 1 1.085 0.002 . . . . . . . 23 L HB2 . 50552 2
142 . 2 . 2 18 18 LEU HB3 H 1 1.327 0.004 . . . . . . . 23 L HB3 . 50552 2
143 . 2 . 2 18 18 LEU HD11 H 1 0.736 0.004 . . . . . . . 23 L QD1 . 50552 2
144 . 2 . 2 18 18 LEU HD12 H 1 0.736 0.004 . . . . . . . 23 L QD1 . 50552 2
145 . 2 . 2 18 18 LEU HD13 H 1 0.736 0.004 . . . . . . . 23 L QD1 . 50552 2
146 . 2 . 2 18 18 LEU HD21 H 1 0.531 0.000 . . . . . . . 23 L QD2 . 50552 2
147 . 2 . 2 18 18 LEU HD22 H 1 0.531 0.000 . . . . . . . 23 L QD2 . 50552 2
148 . 2 . 2 18 18 LEU HD23 H 1 0.531 0.000 . . . . . . . 23 L QD2 . 50552 2
149 . 2 . 2 18 18 LEU CA C 13 52.865 0.000 . . . . . . . 23 L CA . 50552 2
150 . 2 . 2 18 18 LEU CB C 13 41.930 0.030 . . . . . . . 23 L CB . 50552 2
151 . 2 . 2 18 18 LEU CD1 C 13 23.635 0.000 . . . . . . . 23 L CD1 . 50552 2
152 . 2 . 2 18 18 LEU CD2 C 13 26.386 0.000 . . . . . . . 23 L CD2 . 50552 2
153 . 2 . 2 18 18 LEU N N 15 111.963 0.004 . . . . . . . 23 L N . 50552 2
154 . 2 . 2 19 19 PRO HG2 H 1 1.800 0.000 . . . . . . . 24 P HG2 . 50552 2
155 . 2 . 2 19 19 PRO HG3 H 1 1.946 0.000 . . . . . . . 24 P HG3 . 50552 2
156 . 2 . 2 19 19 PRO HD2 H 1 3.188 0.000 . . . . . . . 24 P HD2 . 50552 2
157 . 2 . 2 19 19 PRO HD3 H 1 3.432 0.000 . . . . . . . 24 P HD3 . 50552 2
158 . 2 . 2 19 19 PRO CD C 13 49.347 0.004 . . . . . . . 24 P CD . 50552 2
159 . 2 . 2 20 20 PRO HA H 1 4.024 0.000 . . . . . . . 25 P HA . 50552 2
160 . 2 . 2 20 20 PRO HB2 H 1 2.320 0.000 . . . . . . . 25 P QB . 50552 2
161 . 2 . 2 20 20 PRO HB3 H 1 2.320 0.000 . . . . . . . 25 P QB . 50552 2
162 . 2 . 2 20 20 PRO HG2 H 1 2.055 0.000 . . . . . . . 25 P QG . 50552 2
163 . 2 . 2 20 20 PRO HG3 H 1 2.055 0.000 . . . . . . . 25 P QG . 50552 2
164 . 2 . 2 20 20 PRO HD2 H 1 3.503 0.004 . . . . . . . 25 P QD . 50552 2
165 . 2 . 2 20 20 PRO HD3 H 1 3.503 0.004 . . . . . . . 25 P QD . 50552 2
166 . 2 . 2 20 20 PRO CA C 13 64.562 0.000 . . . . . . . 25 P CA . 50552 2
167 . 2 . 2 20 20 PRO CB C 13 32.088 0.000 . . . . . . . 25 P CB . 50552 2
168 . 2 . 2 20 20 PRO CG C 13 27.696 0.000 . . . . . . . 25 P CG . 50552 2
169 . 2 . 2 20 20 PRO CD C 13 50.733 0.000 . . . . . . . 25 P CD . 50552 2
170 . 2 . 2 21 21 ASP H H 1 8.156 0.004 . . . . . . . 26 D HN . 50552 2
171 . 2 . 2 21 21 ASP HA H 1 4.666 0.006 . . . . . . . 26 D HA . 50552 2
172 . 2 . 2 21 21 ASP HB2 H 1 2.713 0.001 . . . . . . . 26 D HB2 . 50552 2
173 . 2 . 2 21 21 ASP HB3 H 1 2.798 0.004 . . . . . . . 26 D HB3 . 50552 2
174 . 2 . 2 21 21 ASP CB C 13 39.880 0.059 . . . . . . . 26 D CB . 50552 2
175 . 2 . 2 21 21 ASP N N 15 115.132 0.001 . . . . . . . 26 D N . 50552 2
176 . 2 . 2 22 22 ILE H H 1 7.167 0.005 . . . . . . . 27 I HN . 50552 2
177 . 2 . 2 22 22 ILE HA H 1 4.103 0.004 . . . . . . . 27 I HA . 50552 2
178 . 2 . 2 22 22 ILE HB H 1 1.933 0.006 . . . . . . . 27 I HB . 50552 2
179 . 2 . 2 22 22 ILE HG12 H 1 1.248 0.004 . . . . . . . 27 I HG12 . 50552 2
180 . 2 . 2 22 22 ILE HG13 H 1 1.734 0.009 . . . . . . . 27 I HG13 . 50552 2
181 . 2 . 2 22 22 ILE HG21 H 1 0.778 0.002 . . . . . . . 27 I QG2 . 50552 2
182 . 2 . 2 22 22 ILE HG22 H 1 0.778 0.002 . . . . . . . 27 I QG2 . 50552 2
183 . 2 . 2 22 22 ILE HG23 H 1 0.778 0.002 . . . . . . . 27 I QG2 . 50552 2
184 . 2 . 2 22 22 ILE HD11 H 1 0.837 0.001 . . . . . . . 27 I QD1 . 50552 2
185 . 2 . 2 22 22 ILE HD12 H 1 0.837 0.001 . . . . . . . 27 I QD1 . 50552 2
186 . 2 . 2 22 22 ILE HD13 H 1 0.837 0.001 . . . . . . . 27 I QD1 . 50552 2
187 . 2 . 2 22 22 ILE CA C 13 59.673 0.003 . . . . . . . 27 I CA . 50552 2
188 . 2 . 2 22 22 ILE CB C 13 39.333 0.013 . . . . . . . 27 I CB . 50552 2
189 . 2 . 2 22 22 ILE CG1 C 13 29.200 0.032 . . . . . . . 27 I CG1 . 50552 2
190 . 2 . 2 22 22 ILE CG2 C 13 19.873 0.006 . . . . . . . 27 I CG2 . 50552 2
191 . 2 . 2 22 22 ILE CD1 C 13 15.793 0.005 . . . . . . . 27 I CD1 . 50552 2
192 . 2 . 2 22 22 ILE N N 15 120.426 0.002 . . . . . . . 27 I N . 50552 2
193 . 2 . 2 23 23 ARG H H 1 8.451 0.005 . . . . . . . 28 R HN . 50552 2
194 . 2 . 2 23 23 ARG HA H 1 4.857 0.001 . . . . . . . 28 R HA . 50552 2
195 . 2 . 2 23 23 ARG HB2 H 1 1.735 0.000 . . . . . . . 28 R QB . 50552 2
196 . 2 . 2 23 23 ARG HB3 H 1 1.735 0.000 . . . . . . . 28 R QB . 50552 2
197 . 2 . 2 23 23 ARG HG2 H 1 1.821 0.001 . . . . . . . 28 R QG . 50552 2
198 . 2 . 2 23 23 ARG HG3 H 1 1.821 0.001 . . . . . . . 28 R QG . 50552 2
199 . 2 . 2 23 23 ARG HD2 H 1 3.365 0.000 . . . . . . . 28 R QD . 50552 2
200 . 2 . 2 23 23 ARG HD3 H 1 3.365 0.000 . . . . . . . 28 R QD . 50552 2
201 . 2 . 2 23 23 ARG CA C 13 53.668 0.000 . . . . . . . 28 R CA . 50552 2
202 . 2 . 2 23 23 ARG CB C 13 29.181 0.000 . . . . . . . 28 R CB . 50552 2
203 . 2 . 2 23 23 ARG CG C 13 26.405 0.000 . . . . . . . 28 R CG . 50552 2
204 . 2 . 2 23 23 ARG CD C 13 43.470 0.000 . . . . . . . 28 R CD . 50552 2
205 . 2 . 2 23 23 ARG N N 15 123.540 0.000 . . . . . . . 28 R N . 50552 2
206 . 2 . 2 24 24 THR H H 1 7.053 0.000 . . . . . . . 29 T HN . 50552 2
207 . 2 . 2 24 24 THR HA H 1 4.172 0.009 . . . . . . . 29 T HA . 50552 2
208 . 2 . 2 24 24 THR HB H 1 3.653 0.004 . . . . . . . 29 T HB . 50552 2
209 . 2 . 2 24 24 THR HG21 H 1 1.277 0.011 . . . . . . . 29 T QG2 . 50552 2
210 . 2 . 2 24 24 THR HG22 H 1 1.277 0.011 . . . . . . . 29 T QG2 . 50552 2
211 . 2 . 2 24 24 THR HG23 H 1 1.277 0.011 . . . . . . . 29 T QG2 . 50552 2
212 . 2 . 2 24 24 THR CA C 13 67.907 0.000 . . . . . . . 29 T CA . 50552 2
213 . 2 . 2 24 24 THR CB C 13 67.948 0.000 . . . . . . . 29 T CB . 50552 2
214 . 2 . 2 24 24 THR CG2 C 13 23.184 0.000 . . . . . . . 29 T CG2 . 50552 2
215 . 2 . 2 24 24 THR N N 15 117.011 0.011 . . . . . . . 29 T N . 50552 2
216 . 2 . 2 25 25 LYS H H 1 8.206 0.025 . . . . . . . 30 K HN . 50552 2
217 . 2 . 2 25 25 LYS HA H 1 4.157 0.007 . . . . . . . 30 K HA . 50552 2
218 . 2 . 2 25 25 LYS HB2 H 1 1.665 0.000 . . . . . . . 30 K HB2 . 50552 2
219 . 2 . 2 25 25 LYS HB3 H 1 1.925 0.005 . . . . . . . 30 K HB3 . 50552 2
220 . 2 . 2 25 25 LYS HG2 H 1 1.492 0.006 . . . . . . . 30 K QG . 50552 2
221 . 2 . 2 25 25 LYS HG3 H 1 1.492 0.006 . . . . . . . 30 K QG . 50552 2
222 . 2 . 2 25 25 LYS HD2 H 1 1.659 0.008 . . . . . . . 30 K QD . 50552 2
223 . 2 . 2 25 25 LYS HD3 H 1 1.659 0.008 . . . . . . . 30 K QD . 50552 2
224 . 2 . 2 25 25 LYS HE2 H 1 3.024 0.010 . . . . . . . 30 K QE . 50552 2
225 . 2 . 2 25 25 LYS HE3 H 1 3.024 0.010 . . . . . . . 30 K QE . 50552 2
226 . 2 . 2 25 25 LYS CA C 13 58.685 0.000 . . . . . . . 30 K CA . 50552 2
227 . 2 . 2 25 25 LYS CB C 13 32.225 0.048 . . . . . . . 30 K CB . 50552 2
228 . 2 . 2 25 25 LYS CG C 13 24.458 0.065 . . . . . . . 30 K CG . 50552 2
229 . 2 . 2 25 25 LYS CD C 13 28.659 0.005 . . . . . . . 30 K CD . 50552 2
230 . 2 . 2 25 25 LYS CE C 13 42.999 0.000 . . . . . . . 30 K CE . 50552 2
231 . 2 . 2 25 25 LYS N N 15 119.352 0.006 . . . . . . . 30 K N . 50552 2
232 . 2 . 2 26 26 ASP H H 1 7.053 0.001 . . . . . . . 31 D HN . 50552 2
233 . 2 . 2 26 26 ASP HA H 1 4.477 0.004 . . . . . . . 31 D HA . 50552 2
234 . 2 . 2 26 26 ASP HB2 H 1 3.029 0.004 . . . . . . . 31 D HB2 . 50552 2
235 . 2 . 2 26 26 ASP HB3 H 1 3.155 0.001 . . . . . . . 31 D HB3 . 50552 2
236 . 2 . 2 26 26 ASP CA C 13 57.402 0.000 . . . . . . . 31 D CA . 50552 2
237 . 2 . 2 26 26 ASP CB C 13 41.728 0.013 . . . . . . . 31 D CB . 50552 2
238 . 2 . 2 26 26 ASP N N 15 117.024 0.001 . . . . . . . 31 D N . 50552 2
239 . 2 . 2 27 27 ILE H H 1 7.281 0.001 . . . . . . . 32 I HN . 50552 2
240 . 2 . 2 27 27 ILE HA H 1 3.568 0.011 . . . . . . . 32 I HA . 50552 2
241 . 2 . 2 27 27 ILE HB H 1 2.169 0.003 . . . . . . . 32 I HB . 50552 2
242 . 2 . 2 27 27 ILE HG12 H 1 0.826 0.000 . . . . . . . 32 I QG1 . 50552 2
243 . 2 . 2 27 27 ILE HG13 H 1 0.826 0.000 . . . . . . . 32 I QG1 . 50552 2
244 . 2 . 2 27 27 ILE HG21 H 1 0.835 0.003 . . . . . . . 32 I HG21 . 50552 2
245 . 2 . 2 27 27 ILE HG22 H 1 1.730 0.005 . . . . . . . 32 I HG22 . 50552 2
246 . 2 . 2 27 27 ILE HG23 H 1 1.730 0.005 . . . . . . . 32 I HG22 . 50552 2
247 . 2 . 2 27 27 ILE HD11 H 1 0.641 0.001 . . . . . . . 32 I QD1 . 50552 2
248 . 2 . 2 27 27 ILE HD12 H 1 0.641 0.001 . . . . . . . 32 I QD1 . 50552 2
249 . 2 . 2 27 27 ILE HD13 H 1 0.641 0.001 . . . . . . . 32 I QD1 . 50552 2
250 . 2 . 2 27 27 ILE CA C 13 64.881 0.000 . . . . . . . 32 I CA . 50552 2
251 . 2 . 2 27 27 ILE CB C 13 37.143 0.000 . . . . . . . 32 I CB . 50552 2
252 . 2 . 2 27 27 ILE CG1 C 13 18.719 0.000 . . . . . . . 32 I CG1 . 50552 2
253 . 2 . 2 27 27 ILE CG2 C 13 28.803 0.013 . . . . . . . 32 I CG2 . 50552 2
254 . 2 . 2 27 27 ILE CD1 C 13 14.093 0.000 . . . . . . . 32 I CD1 . 50552 2
255 . 2 . 2 27 27 ILE N N 15 118.225 0.001 . . . . . . . 32 I N . 50552 2
256 . 2 . 2 28 28 GLU H H 1 8.246 0.003 . . . . . . . 33 E HN . 50552 2
257 . 2 . 2 28 28 GLU HA H 1 3.721 0.003 . . . . . . . 33 E HA . 50552 2
258 . 2 . 2 28 28 GLU HB2 H 1 2.130 0.000 . . . . . . . 33 E HB2 . 50552 2
259 . 2 . 2 28 28 GLU HB3 H 1 2.254 0.000 . . . . . . . 33 E HB3 . 50552 2
260 . 2 . 2 28 28 GLU HG2 H 1 2.243 0.010 . . . . . . . 33 E QG . 50552 2
261 . 2 . 2 28 28 GLU HG3 H 1 2.243 0.010 . . . . . . . 33 E QG . 50552 2
262 . 2 . 2 28 28 GLU CA C 13 60.594 0.000 . . . . . . . 33 E CA . 50552 2
263 . 2 . 2 28 28 GLU CB C 13 29.624 0.007 . . . . . . . 33 E CB . 50552 2
264 . 2 . 2 28 28 GLU CG C 13 36.826 0.000 . . . . . . . 33 E CG . 50552 2
265 . 2 . 2 28 28 GLU N N 15 121.345 0.001 . . . . . . . 33 E N . 50552 2
266 . 2 . 2 29 29 ASP H H 1 8.139 0.002 . . . . . . . 34 D HN . 50552 2
267 . 2 . 2 29 29 ASP HA H 1 4.468 0.010 . . . . . . . 34 D HA . 50552 2
268 . 2 . 2 29 29 ASP HB2 H 1 2.785 0.003 . . . . . . . 34 D HB2 . 50552 2
269 . 2 . 2 29 29 ASP HB3 H 1 3.001 0.003 . . . . . . . 34 D HB3 . 50552 2
270 . 2 . 2 29 29 ASP CA C 13 57.544 0.080 . . . . . . . 34 D CA . 50552 2
271 . 2 . 2 29 29 ASP CB C 13 40.551 0.051 . . . . . . . 34 D CB . 50552 2
272 . 2 . 2 29 29 ASP N N 15 118.759 0.004 . . . . . . . 34 D N . 50552 2
273 . 2 . 2 30 30 VAL H H 1 7.717 0.002 . . . . . . . 35 V HN . 50552 2
274 . 2 . 2 30 30 VAL HA H 1 3.747 0.001 . . . . . . . 35 V HA . 50552 2
275 . 2 . 2 30 30 VAL HB H 1 1.931 0.003 . . . . . . . 35 V HB . 50552 2
276 . 2 . 2 30 30 VAL HG11 H 1 0.003 0.001 . . . . . . . 35 V QG1 . 50552 2
277 . 2 . 2 30 30 VAL HG12 H 1 0.003 0.001 . . . . . . . 35 V QG1 . 50552 2
278 . 2 . 2 30 30 VAL HG13 H 1 0.003 0.001 . . . . . . . 35 V QG1 . 50552 2
279 . 2 . 2 30 30 VAL HG21 H 1 0.873 0.003 . . . . . . . 35 V QG2 . 50552 2
280 . 2 . 2 30 30 VAL HG22 H 1 0.873 0.003 . . . . . . . 35 V QG2 . 50552 2
281 . 2 . 2 30 30 VAL HG23 H 1 0.873 0.003 . . . . . . . 35 V QG2 . 50552 2
282 . 2 . 2 30 30 VAL CA C 13 65.412 0.011 . . . . . . . 35 V CA . 50552 2
283 . 2 . 2 30 30 VAL CB C 13 32.318 0.023 . . . . . . . 35 V CB . 50552 2
284 . 2 . 2 30 30 VAL CG1 C 13 21.323 0.011 . . . . . . . 35 V CG1 . 50552 2
285 . 2 . 2 30 30 VAL CG2 C 13 23.093 0.007 . . . . . . . 35 V CG2 . 50552 2
286 . 2 . 2 30 30 VAL N N 15 118.586 0.017 . . . . . . . 35 V N . 50552 2
287 . 2 . 2 31 31 PHE H H 1 7.932 0.002 . . . . . . . 36 F HN . 50552 2
288 . 2 . 2 31 31 PHE HA H 1 4.883 0.002 . . . . . . . 36 F HA . 50552 2
289 . 2 . 2 31 31 PHE HB2 H 1 2.797 0.009 . . . . . . . 36 F HB2 . 50552 2
290 . 2 . 2 31 31 PHE HB3 H 1 3.664 0.007 . . . . . . . 36 F HB3 . 50552 2
291 . 2 . 2 31 31 PHE HD1 H 1 7.620 0.004 . . . . . . . 36 F QD . 50552 2
292 . 2 . 2 31 31 PHE HD2 H 1 7.620 0.004 . . . . . . . 36 F QD . 50552 2
293 . 2 . 2 31 31 PHE HE1 H 1 7.147 0.015 . . . . . . . 36 F QE . 50552 2
294 . 2 . 2 31 31 PHE HE2 H 1 7.147 0.015 . . . . . . . 36 F QE . 50552 2
295 . 2 . 2 31 31 PHE HZ H 1 7.136 0.000 . . . . . . . 36 F HZ . 50552 2
296 . 2 . 2 31 31 PHE CA C 13 61.223 0.012 . . . . . . . 36 F CA . 50552 2
297 . 2 . 2 31 31 PHE CB C 13 40.984 0.060 . . . . . . . 36 F CB . 50552 2
298 . 2 . 2 31 31 PHE CD1 C 13 131.928 0.006 . . . . . . . 36 F CD1 . 50552 2
299 . 2 . 2 31 31 PHE CE1 C 13 128.814 0.015 . . . . . . . 36 F CE1 . 50552 2
300 . 2 . 2 31 31 PHE N N 15 115.279 0.009 . . . . . . . 36 F N . 50552 2
301 . 2 . 2 32 32 SER H H 1 8.822 0.002 . . . . . . . 37 S HN . 50552 2
302 . 2 . 2 32 32 SER HA H 1 4.556 0.008 . . . . . . . 37 S HA . 50552 2
303 . 2 . 2 32 32 SER HB2 H 1 4.168 0.033 . . . . . . . 37 S HB2 . 50552 2
304 . 2 . 2 32 32 SER HB3 H 1 4.212 0.002 . . . . . . . 37 S HB3 . 50552 2
305 . 2 . 2 32 32 SER CA C 13 61.720 0.000 . . . . . . . 37 S CA . 50552 2
306 . 2 . 2 32 32 SER CB C 13 62.891 0.008 . . . . . . . 37 S CB . 50552 2
307 . 2 . 2 32 32 SER N N 15 117.578 0.001 . . . . . . . 37 S N . 50552 2
308 . 2 . 2 33 33 LYS H H 1 7.694 0.001 . . . . . . . 38 K HN . 50552 2
309 . 2 . 2 33 33 LYS HA H 1 4.046 0.002 . . . . . . . 38 K HA . 50552 2
310 . 2 . 2 33 33 LYS HB2 H 1 1.323 0.002 . . . . . . . 38 K HB2 . 50552 2
311 . 2 . 2 33 33 LYS HB3 H 1 1.545 0.001 . . . . . . . 38 K HB3 . 50552 2
312 . 2 . 2 33 33 LYS HG2 H 1 0.505 0.002 . . . . . . . 38 K HG2 . 50552 2
313 . 2 . 2 33 33 LYS HG3 H 1 0.900 0.000 . . . . . . . 38 K HG3 . 50552 2
314 . 2 . 2 33 33 LYS HD2 H 1 1.357 0.017 . . . . . . . 38 K QD . 50552 2
315 . 2 . 2 33 33 LYS HD3 H 1 1.357 0.017 . . . . . . . 38 K QD . 50552 2
316 . 2 . 2 33 33 LYS HE2 H 1 2.738 0.002 . . . . . . . 38 K QE . 50552 2
317 . 2 . 2 33 33 LYS HE3 H 1 2.738 0.002 . . . . . . . 38 K QE . 50552 2
318 . 2 . 2 33 33 LYS CA C 13 57.660 0.004 . . . . . . . 38 K CA . 50552 2
319 . 2 . 2 33 33 LYS CB C 13 31.418 0.011 . . . . . . . 38 K CB . 50552 2
320 . 2 . 2 33 33 LYS CG C 13 23.437 0.010 . . . . . . . 38 K CG . 50552 2
321 . 2 . 2 33 33 LYS CD C 13 28.827 0.025 . . . . . . . 38 K CD . 50552 2
322 . 2 . 2 33 33 LYS CE C 13 41.920 0.012 . . . . . . . 38 K CE . 50552 2
323 . 2 . 2 33 33 LYS N N 15 119.030 0.001 . . . . . . . 38 K N . 50552 2
324 . 2 . 2 34 34 TYR H H 1 7.675 0.010 . . . . . . . 39 Y HN . 50552 2
325 . 2 . 2 34 34 TYR HA H 1 4.267 0.010 . . . . . . . 39 Y HA . 50552 2
326 . 2 . 2 34 34 TYR HB2 H 1 2.886 0.010 . . . . . . . 39 Y HB2 . 50552 2
327 . 2 . 2 34 34 TYR HB3 H 1 3.258 0.003 . . . . . . . 39 Y HB3 . 50552 2
328 . 2 . 2 34 34 TYR HD1 H 1 7.416 0.001 . . . . . . . 39 Y QD . 50552 2
329 . 2 . 2 34 34 TYR HD2 H 1 7.416 0.001 . . . . . . . 39 Y QD . 50552 2
330 . 2 . 2 34 34 TYR HE1 H 1 6.662 0.003 . . . . . . . 39 Y QE . 50552 2
331 . 2 . 2 34 34 TYR HE2 H 1 6.662 0.003 . . . . . . . 39 Y QE . 50552 2
332 . 2 . 2 34 34 TYR CA C 13 60.236 0.016 . . . . . . . 39 Y CA . 50552 2
333 . 2 . 2 34 34 TYR CB C 13 38.481 0.030 . . . . . . . 39 Y CB . 50552 2
334 . 2 . 2 34 34 TYR CD1 C 13 132.878 0.008 . . . . . . . 39 Y CD1 . 50552 2
335 . 2 . 2 34 34 TYR CE1 C 13 118.471 0.037 . . . . . . . 39 Y CE1 . 50552 2
336 . 2 . 2 34 34 TYR N N 15 116.995 0.003 . . . . . . . 39 Y N . 50552 2
337 . 2 . 2 35 35 GLY H H 1 7.305 0.003 . . . . . . . 40 G HN . 50552 2
338 . 2 . 2 35 35 GLY HA2 H 1 3.816 0.003 . . . . . . . 40 G HA2 . 50552 2
339 . 2 . 2 35 35 GLY HA3 H 1 4.846 0.008 . . . . . . . 40 G HA3 . 50552 2
340 . 2 . 2 35 35 GLY CA C 13 44.496 0.010 . . . . . . . 40 G CA . 50552 2
341 . 2 . 2 35 35 GLY N N 15 103.809 0.000 . . . . . . . 40 G N . 50552 2
342 . 2 . 2 36 36 ALA H H 1 8.156 0.006 . . . . . . . 41 A HN . 50552 2
343 . 2 . 2 36 36 ALA HA H 1 4.312 0.004 . . . . . . . 41 A HA . 50552 2
344 . 2 . 2 36 36 ALA HB1 H 1 1.421 0.003 . . . . . . . 41 A HB# . 50552 2
345 . 2 . 2 36 36 ALA HB2 H 1 1.421 0.003 . . . . . . . 41 A HB# . 50552 2
346 . 2 . 2 36 36 ALA HB3 H 1 1.421 0.003 . . . . . . . 41 A HB# . 50552 2
347 . 2 . 2 36 36 ALA CA C 13 53.194 0.015 . . . . . . . 41 A CA . 50552 2
348 . 2 . 2 36 36 ALA CB C 13 19.173 0.000 . . . . . . . 41 A CB . 50552 2
349 . 2 . 2 36 36 ALA N N 15 119.737 0.000 . . . . . . . 41 A N . 50552 2
350 . 2 . 2 37 37 ILE H H 1 8.480 0.003 . . . . . . . 42 I HN . 50552 2
351 . 2 . 2 37 37 ILE HA H 1 3.888 0.005 . . . . . . . 42 I HA . 50552 2
352 . 2 . 2 37 37 ILE HB H 1 1.604 0.004 . . . . . . . 42 I HB . 50552 2
353 . 2 . 2 37 37 ILE HG12 H 1 1.747 0.009 . . . . . . . 42 I HG12 . 50552 2
354 . 2 . 2 37 37 ILE HG13 H 1 0.052 0.001 . . . . . . . 42 I HG13 . 50552 2
355 . 2 . 2 37 37 ILE HG21 H 1 0.512 0.004 . . . . . . . 42 I QG2 . 50552 2
356 . 2 . 2 37 37 ILE HG22 H 1 0.512 0.004 . . . . . . . 42 I QG2 . 50552 2
357 . 2 . 2 37 37 ILE HG23 H 1 0.512 0.004 . . . . . . . 42 I QG2 . 50552 2
358 . 2 . 2 37 37 ILE HD11 H 1 0.644 0.003 . . . . . . . 42 I QD1 . 50552 2
359 . 2 . 2 37 37 ILE HD12 H 1 0.644 0.003 . . . . . . . 42 I QD1 . 50552 2
360 . 2 . 2 37 37 ILE HD13 H 1 0.644 0.003 . . . . . . . 42 I QD1 . 50552 2
361 . 2 . 2 37 37 ILE CA C 13 61.265 0.008 . . . . . . . 42 I CA . 50552 2
362 . 2 . 2 37 37 ILE CB C 13 40.259 0.018 . . . . . . . 42 I CB . 50552 2
363 . 2 . 2 37 37 ILE CG1 C 13 28.264 0.028 . . . . . . . 42 I CG1 . 50552 2
364 . 2 . 2 37 37 ILE CG2 C 13 18.049 0.006 . . . . . . . 42 I CG2 . 50552 2
365 . 2 . 2 37 37 ILE CD1 C 13 14.161 0.034 . . . . . . . 42 I CD1 . 50552 2
366 . 2 . 2 37 37 ILE N N 15 123.876 0.009 . . . . . . . 42 I N . 50552 2
367 . 2 . 2 38 38 ARG H H 1 9.252 0.009 . . . . . . . 43 R HN . 50552 2
368 . 2 . 2 38 38 ARG HA H 1 4.365 0.006 . . . . . . . 43 R HA . 50552 2
369 . 2 . 2 38 38 ARG HB2 H 1 1.524 0.000 . . . . . . . 43 R QB . 50552 2
370 . 2 . 2 38 38 ARG HB3 H 1 1.524 0.000 . . . . . . . 43 R QB . 50552 2
371 . 2 . 2 38 38 ARG HG2 H 1 1.520 0.004 . . . . . . . 43 R QG . 50552 2
372 . 2 . 2 38 38 ARG HG3 H 1 1.520 0.004 . . . . . . . 43 R QG . 50552 2
373 . 2 . 2 38 38 ARG HD2 H 1 3.187 0.000 . . . . . . . 43 R QD . 50552 2
374 . 2 . 2 38 38 ARG HD3 H 1 3.187 0.000 . . . . . . . 43 R QD . 50552 2
375 . 2 . 2 38 38 ARG CA C 13 56.975 0.003 . . . . . . . 43 R CA . 50552 2
376 . 2 . 2 38 38 ARG CB C 13 32.193 0.002 . . . . . . . 43 R CB . 50552 2
377 . 2 . 2 38 38 ARG CG C 13 27.129 0.003 . . . . . . . 43 R CG . 50552 2
378 . 2 . 2 38 38 ARG CD C 13 43.428 0.000 . . . . . . . 43 R CD . 50552 2
379 . 2 . 2 38 38 ARG N N 15 127.968 0.001 . . . . . . . 43 R N . 50552 2
380 . 2 . 2 39 39 ASP H H 1 7.584 0.057 . . . . . . . 44 D HN . 50552 2
381 . 2 . 2 39 39 ASP HA H 1 4.734 0.084 . . . . . . . 44 D HA . 50552 2
382 . 2 . 2 39 39 ASP HB2 H 1 2.337 0.014 . . . . . . . 44 D HB2 . 50552 2
383 . 2 . 2 39 39 ASP HB3 H 1 2.650 0.010 . . . . . . . 44 D HB3 . 50552 2
384 . 2 . 2 39 39 ASP CB C 13 43.200 0.010 . . . . . . . 44 D CB . 50552 2
385 . 2 . 2 39 39 ASP N N 15 116.244 0.005 . . . . . . . 44 D N . 50552 2
386 . 2 . 2 40 40 ILE H H 1 7.906 0.014 . . . . . . . 45 I HN . 50552 2
387 . 2 . 2 40 40 ILE HA H 1 4.410 0.010 . . . . . . . 45 I HA . 50552 2
388 . 2 . 2 40 40 ILE HB H 1 1.629 0.009 . . . . . . . 45 I HB . 50552 2
389 . 2 . 2 40 40 ILE HG12 H 1 1.288 0.000 . . . . . . . 45 I QG1 . 50552 2
390 . 2 . 2 40 40 ILE HG13 H 1 1.288 0.000 . . . . . . . 45 I QG1 . 50552 2
391 . 2 . 2 40 40 ILE HG21 H 1 0.706 0.002 . . . . . . . 45 I QG2 . 50552 2
392 . 2 . 2 40 40 ILE HG22 H 1 0.706 0.002 . . . . . . . 45 I QG2 . 50552 2
393 . 2 . 2 40 40 ILE HG23 H 1 0.706 0.002 . . . . . . . 45 I QG2 . 50552 2
394 . 2 . 2 40 40 ILE HD11 H 1 0.801 0.044 . . . . . . . 45 I QD1 . 50552 2
395 . 2 . 2 40 40 ILE HD12 H 1 0.801 0.044 . . . . . . . 45 I QD1 . 50552 2
396 . 2 . 2 40 40 ILE HD13 H 1 0.801 0.044 . . . . . . . 45 I QD1 . 50552 2
397 . 2 . 2 40 40 ILE CA C 13 61.566 0.000 . . . . . . . 45 I CA . 50552 2
398 . 2 . 2 40 40 ILE CB C 13 41.146 0.004 . . . . . . . 45 I CB . 50552 2
399 . 2 . 2 40 40 ILE CG1 C 13 23.192 0.013 . . . . . . . 45 I CG1 . 50552 2
400 . 2 . 2 40 40 ILE CG2 C 13 17.587 0.003 . . . . . . . 45 I CG2 . 50552 2
401 . 2 . 2 40 40 ILE CD1 C 13 14.266 0.009 . . . . . . . 45 I CD1 . 50552 2
402 . 2 . 2 40 40 ILE N N 15 122.400 0.005 . . . . . . . 45 I N . 50552 2
403 . 2 . 2 41 41 ASP H H 1 8.949 0.003 . . . . . . . 46 D HN . 50552 2
404 . 2 . 2 41 41 ASP HA H 1 4.922 0.004 . . . . . . . 46 D HA . 50552 2
405 . 2 . 2 41 41 ASP HB2 H 1 2.633 0.009 . . . . . . . 46 D HB2 . 50552 2
406 . 2 . 2 41 41 ASP HB3 H 1 3.053 0.024 . . . . . . . 46 D HB3 . 50552 2
407 . 2 . 2 41 41 ASP CA C 13 52.373 0.082 . . . . . . . 46 D CA . 50552 2
408 . 2 . 2 41 41 ASP CB C 13 42.543 0.008 . . . . . . . 46 D CB . 50552 2
409 . 2 . 2 41 41 ASP N N 15 128.958 0.002 . . . . . . . 46 D N . 50552 2
410 . 2 . 2 42 42 LEU H H 1 8.263 0.010 . . . . . . . 47 L HN . 50552 2
411 . 2 . 2 42 42 LEU HA H 1 4.337 0.006 . . . . . . . 47 L HA . 50552 2
412 . 2 . 2 42 42 LEU HB2 H 1 1.849 0.004 . . . . . . . 47 L QB . 50552 2
413 . 2 . 2 42 42 LEU HB3 H 1 1.849 0.004 . . . . . . . 47 L QB . 50552 2
414 . 2 . 2 42 42 LEU HG H 1 0.722 0.008 . . . . . . . 47 L HG . 50552 2
415 . 2 . 2 42 42 LEU HD11 H 1 0.573 0.012 . . . . . . . 47 L QD1 . 50552 2
416 . 2 . 2 42 42 LEU HD12 H 1 0.573 0.012 . . . . . . . 47 L QD1 . 50552 2
417 . 2 . 2 42 42 LEU HD13 H 1 0.573 0.012 . . . . . . . 47 L QD1 . 50552 2
418 . 2 . 2 42 42 LEU HD21 H 1 0.733 0.000 . . . . . . . 47 L QD2 . 50552 2
419 . 2 . 2 42 42 LEU HD22 H 1 0.733 0.000 . . . . . . . 47 L QD2 . 50552 2
420 . 2 . 2 42 42 LEU HD23 H 1 0.733 0.000 . . . . . . . 47 L QD2 . 50552 2
421 . 2 . 2 42 42 LEU CA C 13 54.756 0.028 . . . . . . . 47 L CA . 50552 2
422 . 2 . 2 42 42 LEU CB C 13 43.982 0.030 . . . . . . . 47 L CB . 50552 2
423 . 2 . 2 42 42 LEU CD1 C 13 23.529 0.004 . . . . . . . 47 L CD1 . 50552 2
424 . 2 . 2 42 42 LEU CD2 C 13 26.423 0.003 . . . . . . . 47 L CD2 . 50552 2
425 . 2 . 2 42 42 LEU N N 15 126.169 0.010 . . . . . . . 47 L N . 50552 2
426 . 2 . 2 43 43 LYS H H 1 8.994 0.009 . . . . . . . 48 K HN . 50552 2
427 . 2 . 2 43 43 LYS HA H 1 4.433 0.004 . . . . . . . 48 K HA . 50552 2
428 . 2 . 2 43 43 LYS HB2 H 1 0.546 0.014 . . . . . . . 48 K HB2 . 50552 2
429 . 2 . 2 43 43 LYS HB3 H 1 1.074 0.005 . . . . . . . 48 K HB3 . 50552 2
430 . 2 . 2 43 43 LYS HG2 H 1 1.068 0.000 . . . . . . . 48 K HG2 . 50552 2
431 . 2 . 2 43 43 LYS HG3 H 1 1.205 0.028 . . . . . . . 48 K HG3 . 50552 2
432 . 2 . 2 43 43 LYS HD2 H 1 1.515 0.028 . . . . . . . 48 K QD . 50552 2
433 . 2 . 2 43 43 LYS HD3 H 1 1.515 0.028 . . . . . . . 48 K QD . 50552 2
434 . 2 . 2 43 43 LYS HE2 H 1 3.033 0.000 . . . . . . . 48 K HE2 . 50552 2
435 . 2 . 2 43 43 LYS HE3 H 1 3.142 0.000 . . . . . . . 48 K HE3 . 50552 2
436 . 2 . 2 43 43 LYS CA C 13 54.188 0.033 . . . . . . . 48 K CA . 50552 2
437 . 2 . 2 43 43 LYS CB C 13 31.671 0.004 . . . . . . . 48 K CB . 50552 2
438 . 2 . 2 43 43 LYS CG C 13 24.599 0.007 . . . . . . . 48 K CG . 50552 2
439 . 2 . 2 43 43 LYS CD C 13 28.589 0.000 . . . . . . . 48 K CD . 50552 2
440 . 2 . 2 43 43 LYS CE C 13 42.086 0.000 . . . . . . . 48 K CE . 50552 2
441 . 2 . 2 43 43 LYS N N 15 129.139 0.007 . . . . . . . 48 K N . 50552 2
442 . 2 . 2 44 44 ASN H H 1 8.007 0.011 . . . . . . . 49 N HN . 50552 2
443 . 2 . 2 44 44 ASN HA H 1 4.880 0.046 . . . . . . . 49 N HA . 50552 2
444 . 2 . 2 44 44 ASN HB2 H 1 2.565 0.002 . . . . . . . 49 N HB2 . 50552 2
445 . 2 . 2 44 44 ASN HB3 H 1 2.827 0.007 . . . . . . . 49 N HB3 . 50552 2
446 . 2 . 2 44 44 ASN HD21 H 1 6.852 0.000 . . . . . . . 49 N HD21 . 50552 2
447 . 2 . 2 44 44 ASN HD22 H 1 7.699 0.000 . . . . . . . 49 N HD22 . 50552 2
448 . 2 . 2 44 44 ASN CA C 13 52.687 0.000 . . . . . . . 49 N CA . 50552 2
449 . 2 . 2 44 44 ASN CB C 13 39.282 0.008 . . . . . . . 49 N CB . 50552 2
450 . 2 . 2 44 44 ASN N N 15 119.296 0.008 . . . . . . . 49 N N . 50552 2
451 . 2 . 2 44 44 ASN ND2 N 15 111.166 0.012 . . . . . . . 49 N ND2 . 50552 2
452 . 2 . 2 50 50 PRO HA H 1 4.804 0.005 . . . . . . . 55 P HA . 50552 2
453 . 2 . 2 50 50 PRO HB2 H 1 2.208 0.003 . . . . . . . 55 P QB . 50552 2
454 . 2 . 2 50 50 PRO HB3 H 1 2.208 0.003 . . . . . . . 55 P QB . 50552 2
455 . 2 . 2 50 50 PRO HG2 H 1 1.981 0.001 . . . . . . . 55 P QG . 50552 2
456 . 2 . 2 50 50 PRO HG3 H 1 1.981 0.001 . . . . . . . 55 P QG . 50552 2
457 . 2 . 2 50 50 PRO HD2 H 1 3.816 0.083 . . . . . . . 55 P HD2 . 50552 2
458 . 2 . 2 50 50 PRO HD3 H 1 3.845 0.084 . . . . . . . 55 P HD3 . 50552 2
459 . 2 . 2 50 50 PRO CB C 13 31.778 0.035 . . . . . . . 55 P CB . 50552 2
460 . 2 . 2 50 50 PRO CG C 13 27.517 0.005 . . . . . . . 55 P CG . 50552 2
461 . 2 . 2 50 50 PRO CD C 13 50.782 0.010 . . . . . . . 55 P CD . 50552 2
462 . 2 . 2 51 51 PHE H H 1 7.633 0.011 . . . . . . . 56 F HN . 50552 2
463 . 2 . 2 51 51 PHE HA H 1 5.178 0.013 . . . . . . . 56 F HA . 50552 2
464 . 2 . 2 51 51 PHE HB2 H 1 2.739 0.015 . . . . . . . 56 F HB2 . 50552 2
465 . 2 . 2 51 51 PHE HB3 H 1 3.195 0.015 . . . . . . . 56 F HB3 . 50552 2
466 . 2 . 2 51 51 PHE HD1 H 1 6.921 0.024 . . . . . . . 56 F QD . 50552 2
467 . 2 . 2 51 51 PHE HD2 H 1 6.921 0.024 . . . . . . . 56 F QD . 50552 2
468 . 2 . 2 51 51 PHE HE1 H 1 7.326 0.019 . . . . . . . 56 F QE . 50552 2
469 . 2 . 2 51 51 PHE HE2 H 1 7.326 0.019 . . . . . . . 56 F QE . 50552 2
470 . 2 . 2 51 51 PHE HZ H 1 7.294 0.015 . . . . . . . 56 F HZ . 50552 2
471 . 2 . 2 51 51 PHE CA C 13 54.986 0.018 . . . . . . . 56 F CA . 50552 2
472 . 2 . 2 51 51 PHE CB C 13 41.622 0.043 . . . . . . . 56 F CB . 50552 2
473 . 2 . 2 51 51 PHE CD1 C 13 132.991 0.024 . . . . . . . 56 F CD1 . 50552 2
474 . 2 . 2 51 51 PHE CE1 C 13 131.062 0.000 . . . . . . . 56 F CE1 . 50552 2
475 . 2 . 2 51 51 PHE CZ C 13 129.643 0.000 . . . . . . . 56 F CZ . 50552 2
476 . 2 . 2 51 51 PHE N N 15 114.161 0.011 . . . . . . . 56 F N . 50552 2
477 . 2 . 2 52 52 ALA H H 1 9.237 0.010 . . . . . . . 57 A HN . 50552 2
478 . 2 . 2 52 52 ALA HA H 1 5.255 0.002 . . . . . . . 57 A HA . 50552 2
479 . 2 . 2 52 52 ALA HB1 H 1 0.893 0.000 . . . . . . . 57 A HB# . 50552 2
480 . 2 . 2 52 52 ALA HB2 H 1 0.893 0.000 . . . . . . . 57 A HB# . 50552 2
481 . 2 . 2 52 52 ALA HB3 H 1 0.893 0.000 . . . . . . . 57 A HB# . 50552 2
482 . 2 . 2 52 52 ALA CA C 13 49.519 0.000 . . . . . . . 57 A CA . 50552 2
483 . 2 . 2 52 52 ALA CB C 13 23.831 0.011 . . . . . . . 57 A CB . 50552 2
484 . 2 . 2 52 52 ALA N N 15 120.222 0.000 . . . . . . . 57 A N . 50552 2
485 . 2 . 2 53 53 PHE H H 1 8.281 0.017 . . . . . . . 58 F HN . 50552 2
486 . 2 . 2 53 53 PHE HA H 1 5.746 0.033 . . . . . . . 58 F HA . 50552 2
487 . 2 . 2 53 53 PHE HB2 H 1 2.828 0.001 . . . . . . . 58 F HB2 . 50552 2
488 . 2 . 2 53 53 PHE HB3 H 1 2.899 0.000 . . . . . . . 58 F HB3 . 50552 2
489 . 2 . 2 53 53 PHE HD1 H 1 7.191 0.068 . . . . . . . 58 F QD . 50552 2
490 . 2 . 2 53 53 PHE HD2 H 1 7.191 0.068 . . . . . . . 58 F QD . 50552 2
491 . 2 . 2 53 53 PHE HZ H 1 7.015 0.000 . . . . . . . 58 F HZ . 50552 2
492 . 2 . 2 53 53 PHE CA C 13 56.239 0.000 . . . . . . . 58 F CA . 50552 2
493 . 2 . 2 53 53 PHE CB C 13 41.747 0.040 . . . . . . . 58 F CB . 50552 2
494 . 2 . 2 53 53 PHE CD1 C 13 132.106 0.026 . . . . . . . 58 F CD1 . 50552 2
495 . 2 . 2 53 53 PHE N N 15 115.661 0.015 . . . . . . . 58 F N . 50552 2
496 . 2 . 2 54 54 VAL H H 1 8.731 0.001 . . . . . . . 59 V HN . 50552 2
497 . 2 . 2 54 54 VAL HA H 1 4.330 0.003 . . . . . . . 59 V HA . 50552 2
498 . 2 . 2 54 54 VAL HB H 1 1.417 0.004 . . . . . . . 59 V HB . 50552 2
499 . 2 . 2 54 54 VAL HG11 H 1 0.135 0.002 . . . . . . . 59 V QG1 . 50552 2
500 . 2 . 2 54 54 VAL HG12 H 1 0.135 0.002 . . . . . . . 59 V QG1 . 50552 2
501 . 2 . 2 54 54 VAL HG13 H 1 0.135 0.002 . . . . . . . 59 V QG1 . 50552 2
502 . 2 . 2 54 54 VAL HG21 H 1 0.333 0.003 . . . . . . . 59 V QG2 . 50552 2
503 . 2 . 2 54 54 VAL HG22 H 1 0.333 0.003 . . . . . . . 59 V QG2 . 50552 2
504 . 2 . 2 54 54 VAL HG23 H 1 0.333 0.003 . . . . . . . 59 V QG2 . 50552 2
505 . 2 . 2 54 54 VAL CA C 13 61.077 0.010 . . . . . . . 59 V CA . 50552 2
506 . 2 . 2 54 54 VAL CB C 13 33.672 0.021 . . . . . . . 59 V CB . 50552 2
507 . 2 . 2 54 54 VAL CG1 C 13 21.476 0.002 . . . . . . . 59 V CG1 . 50552 2
508 . 2 . 2 54 54 VAL CG2 C 13 21.250 0.009 . . . . . . . 59 V CG2 . 50552 2
509 . 2 . 2 54 54 VAL N N 15 124.759 0.020 . . . . . . . 59 V N . 50552 2
510 . 2 . 2 55 55 GLU H H 1 8.856 0.004 . . . . . . . 60 E HN . 50552 2
511 . 2 . 2 55 55 GLU HA H 1 5.151 0.001 . . . . . . . 60 E HA . 50552 2
512 . 2 . 2 55 55 GLU HB2 H 1 1.869 0.007 . . . . . . . 60 E HB2 . 50552 2
513 . 2 . 2 55 55 GLU HB3 H 1 1.970 0.002 . . . . . . . 60 E HB3 . 50552 2
514 . 2 . 2 55 55 GLU HG2 H 1 2.132 0.013 . . . . . . . 60 E HG2 . 50552 2
515 . 2 . 2 55 55 GLU HG3 H 1 2.198 0.000 . . . . . . . 60 E HG3 . 50552 2
516 . 2 . 2 55 55 GLU CA C 13 54.555 0.000 . . . . . . . 60 E CA . 50552 2
517 . 2 . 2 55 55 GLU CB C 13 32.779 0.054 . . . . . . . 60 E CB . 50552 2
518 . 2 . 2 55 55 GLU CG C 13 36.925 0.007 . . . . . . . 60 E CG . 50552 2
519 . 2 . 2 55 55 GLU N N 15 127.449 0.162 . . . . . . . 60 E N . 50552 2
520 . 2 . 2 56 56 PHE H H 1 8.851 0.001 . . . . . . . 61 F HN . 50552 2
521 . 2 . 2 56 56 PHE HA H 1 4.893 0.016 . . . . . . . 61 F HA . 50552 2
522 . 2 . 2 56 56 PHE HB2 H 1 2.806 0.008 . . . . . . . 61 F HB2 . 50552 2
523 . 2 . 2 56 56 PHE HB3 H 1 3.925 0.016 . . . . . . . 61 F HB3 . 50552 2
524 . 2 . 2 56 56 PHE HD1 H 1 7.228 0.005 . . . . . . . 61 F QD . 50552 2
525 . 2 . 2 56 56 PHE HD2 H 1 7.228 0.005 . . . . . . . 61 F QD . 50552 2
526 . 2 . 2 56 56 PHE HE1 H 1 7.113 0.006 . . . . . . . 61 F QE . 50552 2
527 . 2 . 2 56 56 PHE HE2 H 1 7.113 0.006 . . . . . . . 61 F QE . 50552 2
528 . 2 . 2 56 56 PHE CA C 13 58.784 0.000 . . . . . . . 61 F CA . 50552 2
529 . 2 . 2 56 56 PHE CB C 13 40.978 0.014 . . . . . . . 61 F CB . 50552 2
530 . 2 . 2 56 56 PHE CD1 C 13 131.800 0.015 . . . . . . . 61 F CD1 . 50552 2
531 . 2 . 2 56 56 PHE CE1 C 13 130.915 0.000 . . . . . . . 61 F CE1 . 50552 2
532 . 2 . 2 56 56 PHE N N 15 127.237 0.013 . . . . . . . 61 F N . 50552 2
533 . 2 . 2 57 57 GLU H H 1 8.286 0.000 . . . . . . . 62 E HN . 50552 2
534 . 2 . 2 57 57 GLU HA H 1 4.276 0.010 . . . . . . . 62 E HA . 50552 2
535 . 2 . 2 57 57 GLU HB2 H 1 2.095 0.008 . . . . . . . 62 E HB2 . 50552 2
536 . 2 . 2 57 57 GLU HB3 H 1 2.241 0.010 . . . . . . . 62 E HB3 . 50552 2
537 . 2 . 2 57 57 GLU HG2 H 1 2.144 0.000 . . . . . . . 62 E HG2 . 50552 2
538 . 2 . 2 57 57 GLU HG3 H 1 2.265 0.000 . . . . . . . 62 E HG3 . 50552 2
539 . 2 . 2 57 57 GLU CA C 13 58.569 0.000 . . . . . . . 62 E CA . 50552 2
540 . 2 . 2 57 57 GLU CB C 13 30.466 0.018 . . . . . . . 62 E CB . 50552 2
541 . 2 . 2 57 57 GLU CG C 13 36.738 0.020 . . . . . . . 62 E CG . 50552 2
542 . 2 . 2 57 57 GLU N N 15 117.368 0.002 . . . . . . . 62 E N . 50552 2
543 . 2 . 2 58 58 ASP H H 1 8.650 0.005 . . . . . . . 63 D HN . 50552 2
544 . 2 . 2 58 58 ASP HA H 1 5.318 0.002 . . . . . . . 63 D HA . 50552 2
545 . 2 . 2 58 58 ASP HB2 H 1 2.550 0.003 . . . . . . . 63 D HB2 . 50552 2
546 . 2 . 2 58 58 ASP HB3 H 1 3.035 0.002 . . . . . . . 63 D HB3 . 50552 2
547 . 2 . 2 58 58 ASP CA C 13 50.483 0.000 . . . . . . . 63 D CA . 50552 2
548 . 2 . 2 58 58 ASP CB C 13 45.454 0.006 . . . . . . . 63 D CB . 50552 2
549 . 2 . 2 58 58 ASP N N 15 120.149 0.021 . . . . . . . 63 D N . 50552 2
550 . 2 . 2 59 59 PRO HA H 1 4.406 0.000 . . . . . . . 64 P HA . 50552 2
551 . 2 . 2 59 59 PRO HB2 H 1 2.040 0.000 . . . . . . . 64 P HB2 . 50552 2
552 . 2 . 2 59 59 PRO HB3 H 1 2.316 0.000 . . . . . . . 64 P HB3 . 50552 2
553 . 2 . 2 59 59 PRO HG2 H 1 2.054 0.001 . . . . . . . 64 P HG2 . 50552 2
554 . 2 . 2 59 59 PRO HG3 H 1 2.092 0.000 . . . . . . . 64 P HG3 . 50552 2
555 . 2 . 2 59 59 PRO HD2 H 1 3.727 0.001 . . . . . . . 64 P HD2 . 50552 2
556 . 2 . 2 59 59 PRO HD3 H 1 4.040 0.004 . . . . . . . 64 P HD3 . 50552 2
557 . 2 . 2 59 59 PRO CA C 13 65.181 0.000 . . . . . . . 64 P CA . 50552 2
558 . 2 . 2 59 59 PRO CB C 13 32.385 0.095 . . . . . . . 64 P CB . 50552 2
559 . 2 . 2 59 59 PRO CG C 13 27.363 0.053 . . . . . . . 64 P CG . 50552 2
560 . 2 . 2 59 59 PRO CD C 13 51.806 0.004 . . . . . . . 64 P CD . 50552 2
561 . 2 . 2 60 60 ARG H H 1 8.920 0.007 . . . . . . . 65 R HN . 50552 2
562 . 2 . 2 60 60 ARG HA H 1 4.171 0.005 . . . . . . . 65 R HA . 50552 2
563 . 2 . 2 60 60 ARG HB2 H 1 1.901 0.000 . . . . . . . 65 R HB2 . 50552 2
564 . 2 . 2 60 60 ARG HB3 H 1 1.928 0.000 . . . . . . . 65 R HB3 . 50552 2
565 . 2 . 2 60 60 ARG HG2 H 1 1.776 0.000 . . . . . . . 65 R HG2 . 50552 2
566 . 2 . 2 60 60 ARG HG3 H 1 1.817 0.000 . . . . . . . 65 R HG3 . 50552 2
567 . 2 . 2 60 60 ARG HD2 H 1 3.287 0.000 . . . . . . . 65 R QD . 50552 2
568 . 2 . 2 60 60 ARG HD3 H 1 3.287 0.000 . . . . . . . 65 R QD . 50552 2
569 . 2 . 2 60 60 ARG CA C 13 58.802 0.000 . . . . . . . 65 R CA . 50552 2
570 . 2 . 2 60 60 ARG CB C 13 29.624 0.001 . . . . . . . 65 R CB . 50552 2
571 . 2 . 2 60 60 ARG CG C 13 27.084 0.002 . . . . . . . 65 R CG . 50552 2
572 . 2 . 2 60 60 ARG N N 15 120.350 0.001 . . . . . . . 65 R N . 50552 2
573 . 2 . 2 61 61 ASP H H 1 7.233 0.006 . . . . . . . 66 D HN . 50552 2
574 . 2 . 2 61 61 ASP HA H 1 4.266 0.083 . . . . . . . 66 D HA . 50552 2
575 . 2 . 2 61 61 ASP HB2 H 1 2.461 0.004 . . . . . . . 66 D HB2 . 50552 2
576 . 2 . 2 61 61 ASP HB3 H 1 2.875 0.002 . . . . . . . 66 D HB3 . 50552 2
577 . 2 . 2 61 61 ASP CA C 13 56.954 0.000 . . . . . . . 66 D CA . 50552 2
578 . 2 . 2 61 61 ASP CB C 13 40.153 0.011 . . . . . . . 66 D CB . 50552 2
579 . 2 . 2 61 61 ASP N N 15 121.329 0.006 . . . . . . . 66 D N . 50552 2
580 . 2 . 2 62 62 ALA H H 1 6.753 0.007 . . . . . . . 67 A HN . 50552 2
581 . 2 . 2 62 62 ALA HA H 1 3.247 0.012 . . . . . . . 67 A HA . 50552 2
582 . 2 . 2 62 62 ALA HB1 H 1 1.545 0.002 . . . . . . . 67 A HB# . 50552 2
583 . 2 . 2 62 62 ALA HB2 H 1 1.545 0.002 . . . . . . . 67 A HB# . 50552 2
584 . 2 . 2 62 62 ALA HB3 H 1 1.545 0.002 . . . . . . . 67 A HB# . 50552 2
585 . 2 . 2 62 62 ALA CA C 13 54.840 0.000 . . . . . . . 67 A CA . 50552 2
586 . 2 . 2 62 62 ALA CB C 13 18.268 0.003 . . . . . . . 67 A CB . 50552 2
587 . 2 . 2 62 62 ALA N N 15 119.626 0.002 . . . . . . . 67 A N . 50552 2
588 . 2 . 2 63 63 GLU H H 1 7.705 0.003 . . . . . . . 68 E HN . 50552 2
589 . 2 . 2 63 63 GLU HA H 1 4.054 0.004 . . . . . . . 68 E HA . 50552 2
590 . 2 . 2 63 63 GLU HB2 H 1 2.271 0.050 . . . . . . . 68 E HB2 . 50552 2
591 . 2 . 2 63 63 GLU HB3 H 1 2.347 0.006 . . . . . . . 68 E HB3 . 50552 2
592 . 2 . 2 63 63 GLU HG2 H 1 2.479 0.004 . . . . . . . 68 E HG2 . 50552 2
593 . 2 . 2 63 63 GLU HG3 H 1 2.615 0.005 . . . . . . . 68 E HG3 . 50552 2
594 . 2 . 2 63 63 GLU CA C 13 59.958 0.012 . . . . . . . 68 E CA . 50552 2
595 . 2 . 2 63 63 GLU CB C 13 29.647 0.012 . . . . . . . 68 E CB . 50552 2
596 . 2 . 2 63 63 GLU CG C 13 36.699 0.027 . . . . . . . 68 E CG . 50552 2
597 . 2 . 2 63 63 GLU N N 15 116.244 0.002 . . . . . . . 68 E N . 50552 2
598 . 2 . 2 64 64 ASP H H 1 7.936 0.010 . . . . . . . 69 D HN . 50552 2
599 . 2 . 2 64 64 ASP HA H 1 4.412 0.017 . . . . . . . 69 D HA . 50552 2
600 . 2 . 2 64 64 ASP HB2 H 1 2.724 0.080 . . . . . . . 69 D HB2 . 50552 2
601 . 2 . 2 64 64 ASP HB3 H 1 2.998 0.001 . . . . . . . 69 D HB3 . 50552 2
602 . 2 . 2 64 64 ASP CA C 13 57.134 0.005 . . . . . . . 69 D CA . 50552 2
603 . 2 . 2 64 64 ASP CB C 13 40.321 0.084 . . . . . . . 69 D CB . 50552 2
604 . 2 . 2 64 64 ASP N N 15 120.671 0.002 . . . . . . . 69 D N . 50552 2
605 . 2 . 2 65 65 ALA H H 1 7.810 0.007 . . . . . . . 70 A HN . 50552 2
606 . 2 . 2 65 65 ALA HA H 1 2.422 0.012 . . . . . . . 70 A HA . 50552 2
607 . 2 . 2 65 65 ALA HB1 H 1 1.177 0.004 . . . . . . . 70 A HB# . 50552 2
608 . 2 . 2 65 65 ALA HB2 H 1 1.177 0.004 . . . . . . . 70 A HB# . 50552 2
609 . 2 . 2 65 65 ALA HB3 H 1 1.177 0.004 . . . . . . . 70 A HB# . 50552 2
610 . 2 . 2 65 65 ALA CA C 13 54.441 0.000 . . . . . . . 70 A CA . 50552 2
611 . 2 . 2 65 65 ALA CB C 13 19.827 0.000 . . . . . . . 70 A CB . 50552 2
612 . 2 . 2 65 65 ALA N N 15 124.376 0.002 . . . . . . . 70 A N . 50552 2
613 . 2 . 2 66 66 VAL H H 1 7.637 0.008 . . . . . . . 71 V HN . 50552 2
614 . 2 . 2 66 66 VAL HA H 1 3.427 0.003 . . . . . . . 71 V HA . 50552 2
615 . 2 . 2 66 66 VAL HB H 1 1.952 0.014 . . . . . . . 71 V HB . 50552 2
616 . 2 . 2 66 66 VAL HG11 H 1 0.861 0.009 . . . . . . . 71 V QG1 . 50552 2
617 . 2 . 2 66 66 VAL HG12 H 1 0.861 0.009 . . . . . . . 71 V QG1 . 50552 2
618 . 2 . 2 66 66 VAL HG13 H 1 0.861 0.009 . . . . . . . 71 V QG1 . 50552 2
619 . 2 . 2 66 66 VAL HG21 H 1 0.372 0.009 . . . . . . . 71 V QG2 . 50552 2
620 . 2 . 2 66 66 VAL HG22 H 1 0.372 0.009 . . . . . . . 71 V QG2 . 50552 2
621 . 2 . 2 66 66 VAL HG23 H 1 0.372 0.009 . . . . . . . 71 V QG2 . 50552 2
622 . 2 . 2 66 66 VAL CA C 13 66.537 0.004 . . . . . . . 71 V CA . 50552 2
623 . 2 . 2 66 66 VAL CB C 13 31.581 0.000 . . . . . . . 71 V CB . 50552 2
624 . 2 . 2 66 66 VAL CG1 C 13 21.388 0.015 . . . . . . . 71 V CG1 . 50552 2
625 . 2 . 2 66 66 VAL CG2 C 13 23.007 0.002 . . . . . . . 71 V CG2 . 50552 2
626 . 2 . 2 66 66 VAL N N 15 118.462 0.003 . . . . . . . 71 V N . 50552 2
627 . 2 . 2 67 67 SER H H 1 7.666 0.001 . . . . . . . 72 S HN . 50552 2
628 . 2 . 2 67 67 SER HA H 1 4.299 0.003 . . . . . . . 72 S HA . 50552 2
629 . 2 . 2 67 67 SER HB2 H 1 4.009 0.000 . . . . . . . 72 S HB2 . 50552 2
630 . 2 . 2 67 67 SER HB3 H 1 4.027 0.000 . . . . . . . 72 S HB3 . 50552 2
631 . 2 . 2 67 67 SER CA C 13 60.907 0.000 . . . . . . . 72 S CA . 50552 2
632 . 2 . 2 67 67 SER CB C 13 63.252 0.015 . . . . . . . 72 S CB . 50552 2
633 . 2 . 2 67 67 SER N N 15 112.093 0.003 . . . . . . . 72 S N . 50552 2
634 . 2 . 2 68 68 GLY H H 1 8.323 0.000 . . . . . . . 73 G HN . 50552 2
635 . 2 . 2 68 68 GLY HA2 H 1 3.842 0.027 . . . . . . . 73 G HA2 . 50552 2
636 . 2 . 2 68 68 GLY HA3 H 1 4.209 0.005 . . . . . . . 73 G HA3 . 50552 2
637 . 2 . 2 68 68 GLY CA C 13 45.678 0.004 . . . . . . . 73 G CA . 50552 2
638 . 2 . 2 68 68 GLY N N 15 106.380 0.001 . . . . . . . 73 G N . 50552 2
639 . 2 . 2 69 69 ARG H H 1 8.015 0.005 . . . . . . . 74 R HN . 50552 2
640 . 2 . 2 69 69 ARG HB2 H 1 1.682 0.008 . . . . . . . 74 R HB2 . 50552 2
641 . 2 . 2 69 69 ARG HB3 H 1 2.058 0.033 . . . . . . . 74 R HB3 . 50552 2
642 . 2 . 2 69 69 ARG HG2 H 1 0.927 0.010 . . . . . . . 74 R QG . 50552 2
643 . 2 . 2 69 69 ARG HG3 H 1 0.927 0.010 . . . . . . . 74 R QG . 50552 2
644 . 2 . 2 69 69 ARG HD2 H 1 2.812 0.040 . . . . . . . 74 R QD . 50552 2
645 . 2 . 2 69 69 ARG HD3 H 1 2.812 0.040 . . . . . . . 74 R QD . 50552 2
646 . 2 . 2 69 69 ARG CB C 13 32.593 0.021 . . . . . . . 74 R CB . 50552 2
647 . 2 . 2 69 69 ARG CG C 13 26.654 0.013 . . . . . . . 74 R CG . 50552 2
648 . 2 . 2 69 69 ARG CD C 13 43.447 0.006 . . . . . . . 74 R CD . 50552 2
649 . 2 . 2 69 69 ARG N N 15 116.194 0.003 . . . . . . . 74 R N . 50552 2
650 . 2 . 2 70 70 ASP H H 1 7.819 0.012 . . . . . . . 75 D HN . 50552 2
651 . 2 . 2 70 70 ASP HA H 1 4.588 0.004 . . . . . . . 75 D HA . 50552 2
652 . 2 . 2 70 70 ASP HB2 H 1 2.740 0.002 . . . . . . . 75 D HB2 . 50552 2
653 . 2 . 2 70 70 ASP HB3 H 1 3.420 0.010 . . . . . . . 75 D HB3 . 50552 2
654 . 2 . 2 70 70 ASP CB C 13 41.176 0.012 . . . . . . . 75 D CB . 50552 2
655 . 2 . 2 70 70 ASP N N 15 120.240 0.004 . . . . . . . 75 D N . 50552 2
656 . 2 . 2 71 71 GLY H H 1 9.018 0.006 . . . . . . . 76 G HN . 50552 2
657 . 2 . 2 71 71 GLY HA2 H 1 3.684 0.003 . . . . . . . 76 G HA2 . 50552 2
658 . 2 . 2 71 71 GLY HA3 H 1 4.311 0.003 . . . . . . . 76 G HA3 . 50552 2
659 . 2 . 2 71 71 GLY CA C 13 45.953 0.006 . . . . . . . 76 G CA . 50552 2
660 . 2 . 2 71 71 GLY N N 15 117.537 0.001 . . . . . . . 76 G N . 50552 2
661 . 2 . 2 72 72 TYR H H 1 8.077 0.003 . . . . . . . 77 Y HN . 50552 2
662 . 2 . 2 72 72 TYR HA H 1 4.303 0.003 . . . . . . . 77 Y HA . 50552 2
663 . 2 . 2 72 72 TYR HB2 H 1 2.962 0.005 . . . . . . . 77 Y HB2 . 50552 2
664 . 2 . 2 72 72 TYR HB3 H 1 3.258 0.005 . . . . . . . 77 Y HB3 . 50552 2
665 . 2 . 2 72 72 TYR HD1 H 1 7.086 0.016 . . . . . . . 77 Y QD . 50552 2
666 . 2 . 2 72 72 TYR HD2 H 1 7.086 0.016 . . . . . . . 77 Y QD . 50552 2
667 . 2 . 2 72 72 TYR HE1 H 1 6.792 0.007 . . . . . . . 77 Y QE . 50552 2
668 . 2 . 2 72 72 TYR HE2 H 1 6.792 0.007 . . . . . . . 77 Y QE . 50552 2
669 . 2 . 2 72 72 TYR CA C 13 58.510 0.015 . . . . . . . 77 Y CA . 50552 2
670 . 2 . 2 72 72 TYR CB C 13 40.474 0.012 . . . . . . . 77 Y CB . 50552 2
671 . 2 . 2 72 72 TYR CD1 C 13 132.953 0.005 . . . . . . . 77 Y CD1 . 50552 2
672 . 2 . 2 72 72 TYR CE1 C 13 118.410 0.022 . . . . . . . 77 Y CE1 . 50552 2
673 . 2 . 2 72 72 TYR N N 15 122.719 0.004 . . . . . . . 77 Y N . 50552 2
674 . 2 . 2 73 73 ASP H H 1 7.767 0.001 . . . . . . . 78 D HN . 50552 2
675 . 2 . 2 73 73 ASP HA H 1 4.582 0.008 . . . . . . . 78 D HA . 50552 2
676 . 2 . 2 73 73 ASP HB2 H 1 2.305 0.004 . . . . . . . 78 D HB2 . 50552 2
677 . 2 . 2 73 73 ASP HB3 H 1 2.595 0.003 . . . . . . . 78 D HB3 . 50552 2
678 . 2 . 2 73 73 ASP CB C 13 41.138 0.009 . . . . . . . 78 D CB . 50552 2
679 . 2 . 2 73 73 ASP N N 15 126.685 0.001 . . . . . . . 78 D N . 50552 2
680 . 2 . 2 74 74 TYR H H 1 9.113 0.002 . . . . . . . 79 Y HN . 50552 2
681 . 2 . 2 74 74 TYR HA H 1 4.597 0.000 . . . . . . . 79 Y HA . 50552 2
682 . 2 . 2 74 74 TYR HB2 H 1 2.673 0.003 . . . . . . . 79 Y HB2 . 50552 2
683 . 2 . 2 74 74 TYR HB3 H 1 3.603 0.005 . . . . . . . 79 Y HB3 . 50552 2
684 . 2 . 2 74 74 TYR HD1 H 1 7.087 0.006 . . . . . . . 79 Y QD . 50552 2
685 . 2 . 2 74 74 TYR HD2 H 1 7.087 0.006 . . . . . . . 79 Y QD . 50552 2
686 . 2 . 2 74 74 TYR HE1 H 1 6.794 0.004 . . . . . . . 79 Y QE . 50552 2
687 . 2 . 2 74 74 TYR HE2 H 1 6.794 0.004 . . . . . . . 79 Y QE . 50552 2
688 . 2 . 2 74 74 TYR CB C 13 39.036 0.025 . . . . . . . 79 Y CB . 50552 2
689 . 2 . 2 74 74 TYR CD1 C 13 132.935 0.023 . . . . . . . 79 Y CD1 . 50552 2
690 . 2 . 2 74 74 TYR CE1 C 13 118.356 0.016 . . . . . . . 79 Y CE1 . 50552 2
691 . 2 . 2 74 74 TYR N N 15 129.859 0.007 . . . . . . . 79 Y N . 50552 2
692 . 2 . 2 75 75 ASP H H 1 8.379 0.012 . . . . . . . 80 D HN . 50552 2
693 . 2 . 2 75 75 ASP HA H 1 4.181 0.004 . . . . . . . 80 D HA . 50552 2
694 . 2 . 2 75 75 ASP HB2 H 1 2.343 0.003 . . . . . . . 80 D HB2 . 50552 2
695 . 2 . 2 75 75 ASP HB3 H 1 3.057 0.004 . . . . . . . 80 D HB3 . 50552 2
696 . 2 . 2 75 75 ASP CA C 13 55.202 0.003 . . . . . . . 80 D CA . 50552 2
697 . 2 . 2 75 75 ASP CB C 13 40.194 0.015 . . . . . . . 80 D CB . 50552 2
698 . 2 . 2 75 75 ASP N N 15 124.792 0.002 . . . . . . . 80 D N . 50552 2
699 . 2 . 2 76 76 GLY H H 1 8.324 0.000 . . . . . . . 81 G HN . 50552 2
700 . 2 . 2 76 76 GLY HA2 H 1 3.616 0.003 . . . . . . . 81 G HA2 . 50552 2
701 . 2 . 2 76 76 GLY HA3 H 1 4.191 0.001 . . . . . . . 81 G HA3 . 50552 2
702 . 2 . 2 76 76 GLY CA C 13 45.315 0.006 . . . . . . . 81 G CA . 50552 2
703 . 2 . 2 76 76 GLY N N 15 104.234 0.000 . . . . . . . 81 G N . 50552 2
704 . 2 . 2 77 77 TYR H H 1 8.056 0.003 . . . . . . . 82 Y HN . 50552 2
705 . 2 . 2 77 77 TYR HA H 1 4.223 0.009 . . . . . . . 82 Y HA . 50552 2
706 . 2 . 2 77 77 TYR HB2 H 1 3.267 0.010 . . . . . . . 82 Y HB2 . 50552 2
707 . 2 . 2 77 77 TYR HB3 H 1 3.398 0.002 . . . . . . . 82 Y HB3 . 50552 2
708 . 2 . 2 77 77 TYR HD1 H 1 7.152 0.004 . . . . . . . 82 Y QD . 50552 2
709 . 2 . 2 77 77 TYR HD2 H 1 7.152 0.004 . . . . . . . 82 Y QD . 50552 2
710 . 2 . 2 77 77 TYR HE1 H 1 6.886 0.003 . . . . . . . 82 Y QE . 50552 2
711 . 2 . 2 77 77 TYR HE2 H 1 6.886 0.003 . . . . . . . 82 Y QE . 50552 2
712 . 2 . 2 77 77 TYR CA C 13 57.891 0.025 . . . . . . . 82 Y CA . 50552 2
713 . 2 . 2 77 77 TYR CB C 13 37.881 0.040 . . . . . . . 82 Y CB . 50552 2
714 . 2 . 2 77 77 TYR CD1 C 13 133.952 0.007 . . . . . . . 82 Y CD1 . 50552 2
715 . 2 . 2 77 77 TYR CE1 C 13 117.857 0.021 . . . . . . . 82 Y CE1 . 50552 2
716 . 2 . 2 77 77 TYR N N 15 123.519 0.004 . . . . . . . 82 Y N . 50552 2
717 . 2 . 2 78 78 ARG H H 1 8.238 0.003 . . . . . . . 83 R HN . 50552 2
718 . 2 . 2 78 78 ARG HA H 1 4.730 0.000 . . . . . . . 83 R HA . 50552 2
719 . 2 . 2 78 78 ARG HB2 H 1 1.633 0.038 . . . . . . . 83 R HB2 . 50552 2
720 . 2 . 2 78 78 ARG HB3 H 1 1.745 0.052 . . . . . . . 83 R HB3 . 50552 2
721 . 2 . 2 78 78 ARG HG2 H 1 1.476 0.000 . . . . . . . 83 R HG2 . 50552 2
722 . 2 . 2 78 78 ARG HG3 H 1 1.621 0.043 . . . . . . . 83 R HG3 . 50552 2
723 . 2 . 2 78 78 ARG HD2 H 1 3.172 0.097 . . . . . . . 83 R QD . 50552 2
724 . 2 . 2 78 78 ARG HD3 H 1 3.172 0.097 . . . . . . . 83 R QD . 50552 2
725 . 2 . 2 78 78 ARG CB C 13 29.236 0.007 . . . . . . . 83 R CB . 50552 2
726 . 2 . 2 78 78 ARG CG C 13 27.474 0.014 . . . . . . . 83 R CG . 50552 2
727 . 2 . 2 78 78 ARG CD C 13 43.380 0.000 . . . . . . . 83 R CD . 50552 2
728 . 2 . 2 78 78 ARG N N 15 122.896 0.003 . . . . . . . 83 R N . 50552 2
729 . 2 . 2 79 79 LEU H H 1 9.436 0.002 . . . . . . . 84 L HN . 50552 2
730 . 2 . 2 79 79 LEU HA H 1 4.588 0.000 . . . . . . . 84 L HA . 50552 2
731 . 2 . 2 79 79 LEU HB2 H 1 1.403 0.006 . . . . . . . 84 L QB . 50552 2
732 . 2 . 2 79 79 LEU HB3 H 1 1.403 0.006 . . . . . . . 84 L QB . 50552 2
733 . 2 . 2 79 79 LEU HG H 1 1.667 0.003 . . . . . . . 84 L HG . 50552 2
734 . 2 . 2 79 79 LEU HD11 H 1 0.964 0.033 . . . . . . . 84 L QD1 . 50552 2
735 . 2 . 2 79 79 LEU HD12 H 1 0.964 0.033 . . . . . . . 84 L QD1 . 50552 2
736 . 2 . 2 79 79 LEU HD13 H 1 0.964 0.033 . . . . . . . 84 L QD1 . 50552 2
737 . 2 . 2 79 79 LEU HD21 H 1 0.996 0.004 . . . . . . . 84 L QD2 . 50552 2
738 . 2 . 2 79 79 LEU HD22 H 1 0.996 0.004 . . . . . . . 84 L QD2 . 50552 2
739 . 2 . 2 79 79 LEU HD23 H 1 0.996 0.004 . . . . . . . 84 L QD2 . 50552 2
740 . 2 . 2 79 79 LEU CB C 13 42.519 0.000 . . . . . . . 84 L CB . 50552 2
741 . 2 . 2 79 79 LEU CG C 13 26.748 0.000 . . . . . . . 84 L CG . 50552 2
742 . 2 . 2 79 79 LEU CD1 C 13 23.232 0.000 . . . . . . . 84 L CD1 . 50552 2
743 . 2 . 2 79 79 LEU CD2 C 13 25.871 0.000 . . . . . . . 84 L CD2 . 50552 2
744 . 2 . 2 79 79 LEU N N 15 129.275 0.003 . . . . . . . 84 L N . 50552 2
745 . 2 . 2 80 80 ARG H H 1 8.040 0.001 . . . . . . . 85 R HN . 50552 2
746 . 2 . 2 80 80 ARG HA H 1 5.074 0.003 . . . . . . . 85 R HA . 50552 2
747 . 2 . 2 80 80 ARG HB2 H 1 1.759 0.000 . . . . . . . 85 R HB2 . 50552 2
748 . 2 . 2 80 80 ARG HB3 H 1 1.844 0.000 . . . . . . . 85 R HB3 . 50552 2
749 . 2 . 2 80 80 ARG HG2 H 1 1.729 0.022 . . . . . . . 85 R HG2 . 50552 2
750 . 2 . 2 80 80 ARG HG3 H 1 1.834 0.066 . . . . . . . 85 R HG3 . 50552 2
751 . 2 . 2 80 80 ARG HD2 H 1 3.398 0.004 . . . . . . . 85 R QD . 50552 2
752 . 2 . 2 80 80 ARG HD3 H 1 3.398 0.004 . . . . . . . 85 R QD . 50552 2
753 . 2 . 2 80 80 ARG CA C 13 54.169 0.035 . . . . . . . 85 R CA . 50552 2
754 . 2 . 2 80 80 ARG CB C 13 32.066 0.029 . . . . . . . 85 R CB . 50552 2
755 . 2 . 2 80 80 ARG CG C 13 27.343 0.002 . . . . . . . 85 R CG . 50552 2
756 . 2 . 2 80 80 ARG CD C 13 43.621 0.000 . . . . . . . 85 R CD . 50552 2
757 . 2 . 2 80 80 ARG N N 15 123.768 0.005 . . . . . . . 85 R N . 50552 2
758 . 2 . 2 81 81 VAL H H 1 9.481 0.007 . . . . . . . 86 V HN . 50552 2
759 . 2 . 2 81 81 VAL HA H 1 5.498 0.003 . . . . . . . 86 V HA . 50552 2
760 . 2 . 2 81 81 VAL HB H 1 2.004 0.005 . . . . . . . 86 V HB . 50552 2
761 . 2 . 2 81 81 VAL HG11 H 1 1.065 0.016 . . . . . . . 86 V QG1 . 50552 2
762 . 2 . 2 81 81 VAL HG12 H 1 1.065 0.016 . . . . . . . 86 V QG1 . 50552 2
763 . 2 . 2 81 81 VAL HG13 H 1 1.065 0.016 . . . . . . . 86 V QG1 . 50552 2
764 . 2 . 2 81 81 VAL HG21 H 1 1.041 0.016 . . . . . . . 86 V QG2 . 50552 2
765 . 2 . 2 81 81 VAL HG22 H 1 1.041 0.016 . . . . . . . 86 V QG2 . 50552 2
766 . 2 . 2 81 81 VAL HG23 H 1 1.041 0.016 . . . . . . . 86 V QG2 . 50552 2
767 . 2 . 2 81 81 VAL CA C 13 60.858 0.000 . . . . . . . 86 V CA . 50552 2
768 . 2 . 2 81 81 VAL CB C 13 33.825 0.000 . . . . . . . 86 V CB . 50552 2
769 . 2 . 2 81 81 VAL CG1 C 13 22.870 0.005 . . . . . . . 86 V CG1 . 50552 2
770 . 2 . 2 81 81 VAL CG2 C 13 24.751 0.004 . . . . . . . 86 V CG2 . 50552 2
771 . 2 . 2 81 81 VAL N N 15 127.312 0.002 . . . . . . . 86 V N . 50552 2
772 . 2 . 2 82 82 GLU H H 1 9.009 0.001 . . . . . . . 87 E HN . 50552 2
773 . 2 . 2 82 82 GLU HA H 1 4.758 0.007 . . . . . . . 87 E HA . 50552 2
774 . 2 . 2 82 82 GLU HB2 H 1 1.939 0.017 . . . . . . . 87 E HB2 . 50552 2
775 . 2 . 2 82 82 GLU HB3 H 1 2.289 0.013 . . . . . . . 87 E HB3 . 50552 2
776 . 2 . 2 82 82 GLU HG2 H 1 2.062 0.005 . . . . . . . 87 E HG2 . 50552 2
777 . 2 . 2 82 82 GLU HG3 H 1 2.285 0.016 . . . . . . . 87 E HG3 . 50552 2
778 . 2 . 2 82 82 GLU CB C 13 34.350 0.036 . . . . . . . 87 E CB . 50552 2
779 . 2 . 2 82 82 GLU CG C 13 35.230 0.030 . . . . . . . 87 E CG . 50552 2
780 . 2 . 2 82 82 GLU N N 15 121.631 0.009 . . . . . . . 87 E N . 50552 2
781 . 2 . 2 83 83 PHE H H 1 8.740 0.003 . . . . . . . 88 F HN . 50552 2
782 . 2 . 2 83 83 PHE HA H 1 5.078 0.006 . . . . . . . 88 F HA . 50552 2
783 . 2 . 2 83 83 PHE HB2 H 1 2.882 0.004 . . . . . . . 88 F HB2 . 50552 2
784 . 2 . 2 83 83 PHE HB3 H 1 3.323 0.005 . . . . . . . 88 F HB3 . 50552 2
785 . 2 . 2 83 83 PHE HD1 H 1 7.524 0.008 . . . . . . . 88 F QD . 50552 2
786 . 2 . 2 83 83 PHE HD2 H 1 7.524 0.008 . . . . . . . 88 F QD . 50552 2
787 . 2 . 2 83 83 PHE HE1 H 1 7.293 0.006 . . . . . . . 88 F QE . 50552 2
788 . 2 . 2 83 83 PHE HE2 H 1 7.293 0.006 . . . . . . . 88 F QE . 50552 2
789 . 2 . 2 83 83 PHE HZ H 1 7.062 0.004 . . . . . . . 88 F HZ . 50552 2
790 . 2 . 2 83 83 PHE CA C 13 57.783 0.035 . . . . . . . 88 F CA . 50552 2
791 . 2 . 2 83 83 PHE CD1 C 13 131.946 0.048 . . . . . . . 88 F CD1 . 50552 2
792 . 2 . 2 83 83 PHE CE1 C 13 131.791 0.000 . . . . . . . 88 F CE1 . 50552 2
793 . 2 . 2 83 83 PHE CZ C 13 129.472 0.000 . . . . . . . 88 F CZ . 50552 2
794 . 2 . 2 83 83 PHE N N 15 120.031 0.004 . . . . . . . 88 F N . 50552 2
795 . 2 . 2 84 84 PRO HB3 H 1 2.330 0.000 . . . . . . . 89 P HB3 . 50552 2
796 . 2 . 2 84 84 PRO HG2 H 1 2.013 0.000 . . . . . . . 89 P QG . 50552 2
797 . 2 . 2 84 84 PRO HG3 H 1 2.013 0.000 . . . . . . . 89 P QG . 50552 2
798 . 2 . 2 84 84 PRO HD2 H 1 4.205 0.002 . . . . . . . 89 P HD2 . 50552 2
799 . 2 . 2 84 84 PRO HD3 H 1 4.386 0.001 . . . . . . . 89 P HD3 . 50552 2
800 . 2 . 2 84 84 PRO CG C 13 28.172 0.000 . . . . . . . 89 P CG . 50552 2
801 . 2 . 2 84 84 PRO CD C 13 51.336 0.011 . . . . . . . 89 P CD . 50552 2
stop_
save_