data_10244
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structures of the C2H2 type zinc finger domain of human Zinc finger
protein 462
;
_BMRB_accession_number 10244
_BMRB_flat_file_name bmr10244.str
_Entry_type new
_Submission_date 2008-10-24
_Accession_date 2008-10-28
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Sato M. . .
2 Saito K. . .
3 Koshiba S. . .
4 Inoue M. . .
5 Kigawa T. . .
6 Yokoyama S. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 440
"13C chemical shifts" 322
"15N chemical shifts" 77
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2009-11-03 original author .
stop_
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Solution structures of the C2H2 type zinc finger domain of human Zinc finger
protein 462
;
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Sato M. . .
2 Saito K. . .
3 Koshiba S. . .
4 Inoue M. . .
5 Kigawa T. . .
6 Yokoyama S. . .
stop_
_Journal_abbreviation .
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Zinc finger protein 462'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'C2H2 type zinc finger domain' $entity_1
'ZINC ION' $ZN
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'C2H2 type zinc finger domain'
_Molecular_mass .
_Mol_thiol_state 'all other bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 88
_Mol_residue_sequence
;
GSSGSSGLKRDFIILGNGPR
LQNSTYQCKHCDSKLQSTAE
LTSHLNIHNEEFQKRAKRQE
RRKQLLSKQKYADGAFADFK
QESGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 LEU 9 LYS 10 ARG
11 ASP 12 PHE 13 ILE 14 ILE 15 LEU
16 GLY 17 ASN 18 GLY 19 PRO 20 ARG
21 LEU 22 GLN 23 ASN 24 SER 25 THR
26 TYR 27 GLN 28 CYS 29 LYS 30 HIS
31 CYS 32 ASP 33 SER 34 LYS 35 LEU
36 GLN 37 SER 38 THR 39 ALA 40 GLU
41 LEU 42 THR 43 SER 44 HIS 45 LEU
46 ASN 47 ILE 48 HIS 49 ASN 50 GLU
51 GLU 52 PHE 53 GLN 54 LYS 55 ARG
56 ALA 57 LYS 58 ARG 59 GLN 60 GLU
61 ARG 62 ARG 63 LYS 64 GLN 65 LEU
66 LEU 67 SER 68 LYS 69 GLN 70 LYS
71 TYR 72 ALA 73 ASP 74 GLY 75 ALA
76 PHE 77 ALA 78 ASP 79 PHE 80 LYS
81 GLN 82 GLU 83 SER 84 GLY 85 PRO
86 SER 87 SER 88 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-08
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 1X6F "Solution Structures Of The C2h2 Type Zinc Finger Domain Of Human Zinc Finger Protein 462" 100.00 88 100.00 100.00 3.52e-56
DBJ BAB47432 "KIAA1803 protein [Homo sapiens]" 88.64 1412 97.44 97.44 4.59e-42
DBJ BAG11361 "zinc finger protein 462 [synthetic construct]" 88.64 1412 97.44 97.44 4.59e-42
EMBL CAH18698 "hypothetical protein [Homo sapiens]" 88.64 2403 97.44 97.44 2.96e-42
EMBL CAH56168 "hypothetical protein [Homo sapiens]" 88.64 2506 97.44 97.44 2.93e-42
GB AAH36884 "ZNF462 protein [Homo sapiens]" 88.64 884 97.44 97.44 1.64e-42
GB AAI72445 "Zinc finger protein 462 [synthetic construct]" 88.64 2506 97.44 97.44 3.01e-42
GB AIC60541 "ZNF462, partial [synthetic construct]" 88.64 884 97.44 97.44 1.64e-42
GB EAW59010 "zinc finger protein 462, isoform CRA_a [Homo sapiens]" 88.64 1999 97.44 97.44 3.85e-42
GB EAW59011 "zinc finger protein 462, isoform CRA_b [Homo sapiens]" 88.64 1998 97.44 97.44 3.85e-42
REF NP_067047 "zinc finger protein 462 [Homo sapiens]" 88.64 2506 97.44 97.44 3.01e-42
REF XP_001109263 "PREDICTED: zinc finger protein 462 isoform 2 [Macaca mulatta]" 88.64 2508 97.44 97.44 2.82e-42
REF XP_002820132 "PREDICTED: LOW QUALITY PROTEIN: zinc finger protein 462 [Pongo abelii]" 88.64 2461 97.44 97.44 2.64e-42
REF XP_003260371 "PREDICTED: zinc finger protein 462 [Nomascus leucogenys]" 88.64 2508 97.44 97.44 2.63e-42
REF XP_003810950 "PREDICTED: zinc finger protein 462 isoform X3 [Pan paniscus]" 88.64 2506 97.44 97.44 2.84e-42
SP Q96JM2 "RecName: Full=Zinc finger protein 462" 88.64 2506 97.44 97.44 3.01e-42
stop_
save_
#############
# Ligands #
#############
save_ZN
_Saveframe_category ligand
_Mol_type non-polymer
_Name_common "ZN (ZINC ION)"
_BMRB_code .
_PDB_code ZN
_Molecular_mass 65.409
_Mol_charge 2
_Mol_paramagnetic .
_Mol_aromatic .
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Wed Dec 20 05:48:03 2006
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
ZN ZN ZN N 2 . ?
stop_
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
########################################
# Molecular bond linkage definitions #
########################################
save_crosslink_bonds
_Saveframe_category crosslink_bonds
loop_
_Bond_order
_Bond_type
_Atom_one_mol_system_component_name
_Atom_one_residue_seq_code
_Atom_one_residue_label
_Atom_one_atom_name
_Atom_two_mol_system_component_name
_Atom_two_residue_seq_code
_Atom_two_residue_label
_Atom_two_atom_name
single coordination 'C2H2 type zinc finger domain' 28 CYS SG 'ZINC ION' . . ZN
single coordination 'C2H2 type zinc finger domain' 31 CYS SG 'ZINC ION' . . ZN
single coordination 'C2H2 type zinc finger domain' 44 HIS NE2 'ZINC ION' . . ZN
single coordination 'C2H2 type zinc finger domain' 48 HIS NE2 'ZINC ION' . . ZN
stop_
loop_
_Deleted_atom_mol_system_component_name
_Deleted_atom_residue_seq_code
_Deleted_atom_residue_label
_Deleted_atom_name
'C2H2 type zinc finger domain' 28 CYS HG
'C2H2 type zinc finger domain' 31 CYS HG
'C2H2 type zinc finger domain' 44 HIS HE2
'C2H2 type zinc finger domain' 48 HIS HE2
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity_1 human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_type
_Vector_name
$entity_1 'cell free synthesis' . . . . plasmid P041012-05
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1 mM '[U-13C; U-15N]'
'd-Tris HCl' 20 mM .
NaCl 100 mM .
d-DTT 1 mM .
NaN3 0.02 % .
ZnCl2 50 uM .
NTA 0.1 mM .
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name XWINNMR
_Version 2.6
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_software_2
_Saveframe_category software
_Name NMRPipe
_Version 20031121
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, F' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_software_3
_Saveframe_category software
_Name NMRView
_Version 5.0.4
loop_
_Vendor
_Address
_Electronic_address
'Johnson, B.A.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_software_4
_Saveframe_category software
_Name Kujira
_Version 0.9295
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi, N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_software_5
_Saveframe_category software
_Name CYANA
_Version 2.0.17
loop_
_Vendor
_Address
_Electronic_address
'Guentert, P.' . .
stop_
loop_
_Task
'structure solution'
refinement
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_13C-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label $sample_1
save_
save_3D_15N-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 120 0.1 mM
pH 7.0 0.05 pH
pressure 1 0.001 atm
temperature 298 0.1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Saveframe_category chemical_shift_reference
_Details
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
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_chemical_shift_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'3D 13C-separated NOESY'
'3D 15N-separated NOESY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $condition_1
_Chem_shift_reference_set_label $reference_1
_Mol_system_component_name 'C2H2 type zinc finger domain'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 7 7 GLY HA2 H 3.975 0.030 1
2 7 7 GLY HA3 H 3.975 0.030 1
3 7 7 GLY C C 174.115 0.300 1
4 7 7 GLY CA C 45.392 0.300 1
5 8 8 LEU H H 8.037 0.030 1
6 8 8 LEU HA H 4.347 0.030 1
7 8 8 LEU HB2 H 1.609 0.030 1
8 8 8 LEU HB3 H 1.609 0.030 1
9 8 8 LEU HD1 H 0.920 0.030 1
10 8 8 LEU HD2 H 0.875 0.030 1
11 8 8 LEU HG H 1.603 0.030 1
12 8 8 LEU C C 177.426 0.300 1
13 8 8 LEU CA C 55.352 0.300 1
14 8 8 LEU CB C 42.478 0.300 1
15 8 8 LEU CD1 C 25.043 0.300 2
16 8 8 LEU CD2 C 23.471 0.300 2
17 8 8 LEU CG C 27.017 0.300 1
18 8 8 LEU N N 121.686 0.300 1
19 9 9 LYS H H 8.309 0.030 1
20 9 9 LYS HA H 4.319 0.030 1
21 9 9 LYS HB2 H 1.788 0.030 1
22 9 9 LYS HB3 H 1.788 0.030 1
23 9 9 LYS HE2 H 3.005 0.030 1
24 9 9 LYS HE3 H 3.005 0.030 1
25 9 9 LYS CA C 56.195 0.300 1
26 9 9 LYS CB C 32.820 0.300 1
27 9 9 LYS CD C 28.994 0.300 1
28 9 9 LYS CE C 42.238 0.300 1
29 9 9 LYS CG C 24.898 0.300 1
30 9 9 LYS N N 122.335 0.300 1
31 10 10 ARG HA H 4.306 0.030 1
32 10 10 ARG HB2 H 1.772 0.030 2
33 10 10 ARG HB3 H 1.711 0.030 2
34 10 10 ARG HD2 H 3.176 0.030 1
35 10 10 ARG HD3 H 3.176 0.030 1
36 10 10 ARG HG2 H 1.581 0.030 1
37 10 10 ARG HG3 H 1.581 0.030 1
38 10 10 ARG C C 175.845 0.300 1
39 10 10 ARG CA C 56.146 0.300 1
40 10 10 ARG CB C 31.005 0.300 1
41 10 10 ARG CD C 43.416 0.300 1
42 10 10 ARG CG C 26.770 0.300 1
43 11 11 ASP H H 8.293 0.030 1
44 11 11 ASP HA H 4.582 0.030 1
45 11 11 ASP HB2 H 2.658 0.030 2
46 11 11 ASP HB3 H 2.546 0.030 2
47 11 11 ASP C C 175.382 0.300 1
48 11 11 ASP CA C 54.612 0.300 1
49 11 11 ASP CB C 41.572 0.300 1
50 11 11 ASP N N 120.563 0.300 1
51 12 12 PHE H H 7.961 0.030 1
52 12 12 PHE HA H 4.758 0.030 1
53 12 12 PHE HB2 H 3.121 0.030 2
54 12 12 PHE HB3 H 3.013 0.030 2
55 12 12 PHE HD1 H 7.215 0.030 1
56 12 12 PHE HD2 H 7.215 0.030 1
57 12 12 PHE HE1 H 7.354 0.030 1
58 12 12 PHE HE2 H 7.354 0.030 1
59 12 12 PHE C C 175.068 0.300 1
60 12 12 PHE CA C 58.990 0.300 1
61 12 12 PHE CB C 40.037 0.300 1
62 12 12 PHE CD1 C 131.906 0.300 1
63 12 12 PHE CD2 C 131.906 0.300 1
64 12 12 PHE CE1 C 131.648 0.300 1
65 12 12 PHE CE2 C 131.648 0.300 1
66 12 12 PHE N N 118.808 0.300 1
67 13 13 ILE H H 8.167 0.030 1
68 13 13 ILE HA H 4.167 0.030 1
69 13 13 ILE HB H 1.810 0.030 1
70 13 13 ILE HD1 H 0.847 0.030 1
71 13 13 ILE HG12 H 1.444 0.030 2
72 13 13 ILE HG13 H 1.128 0.030 2
73 13 13 ILE HG2 H 0.856 0.030 1
74 13 13 ILE C C 175.712 0.300 1
75 13 13 ILE CA C 60.976 0.300 1
76 13 13 ILE CB C 39.277 0.300 1
77 13 13 ILE CD1 C 12.919 0.300 1
78 13 13 ILE CG1 C 27.460 0.300 1
79 13 13 ILE CG2 C 17.495 0.300 1
80 13 13 ILE N N 122.190 0.300 1
81 14 14 ILE H H 8.287 0.030 1
82 14 14 ILE HA H 4.163 0.030 1
83 14 14 ILE HB H 1.841 0.030 1
84 14 14 ILE HD1 H 0.905 0.030 1
85 14 14 ILE HG12 H 1.547 0.030 2
86 14 14 ILE HG13 H 1.188 0.030 2
87 14 14 ILE HG2 H 0.879 0.030 1
88 14 14 ILE C C 176.116 0.300 1
89 14 14 ILE CA C 61.142 0.300 1
90 14 14 ILE CB C 38.438 0.300 1
91 14 14 ILE CD1 C 12.971 0.300 1
92 14 14 ILE CG1 C 27.594 0.300 1
93 14 14 ILE CG2 C 17.541 0.300 1
94 14 14 ILE N N 125.550 0.300 1
95 15 15 LEU H H 8.398 0.030 1
96 15 15 LEU HA H 4.397 0.030 1
97 15 15 LEU HB2 H 1.680 0.030 2
98 15 15 LEU HB3 H 1.561 0.030 2
99 15 15 LEU HD1 H 0.918 0.030 1
100 15 15 LEU HD2 H 0.874 0.030 1
101 15 15 LEU HG H 1.616 0.030 1
102 15 15 LEU C C 177.749 0.300 1
103 15 15 LEU CA C 55.123 0.300 1
104 15 15 LEU CB C 42.560 0.300 1
105 15 15 LEU CD1 C 25.122 0.300 2
106 15 15 LEU CD2 C 23.309 0.300 2
107 15 15 LEU CG C 27.017 0.300 1
108 15 15 LEU N N 127.408 0.300 1
109 16 16 GLY H H 8.347 0.030 1
110 16 16 GLY HA2 H 3.964 0.030 1
111 16 16 GLY HA3 H 3.964 0.030 1
112 16 16 GLY C C 172.979 0.300 1
113 16 16 GLY CA C 45.286 0.300 1
114 16 16 GLY N N 109.546 0.300 1
115 17 17 ASN H H 7.974 0.030 1
116 17 17 ASN HA H 4.577 0.030 1
117 17 17 ASN HB2 H 2.839 0.030 2
118 17 17 ASN HB3 H 2.721 0.030 2
119 17 17 ASN HD21 H 7.596 0.030 2
120 17 17 ASN HD22 H 6.907 0.030 2
121 17 17 ASN C C 175.869 0.300 1
122 17 17 ASN CA C 54.665 0.300 1
123 17 17 ASN CB C 40.830 0.300 1
124 17 17 ASN N N 124.057 0.300 1
125 17 17 ASN ND2 N 112.856 0.300 1
126 18 18 GLY H H 8.150 0.030 1
127 18 18 GLY HA2 H 4.073 0.030 1
128 18 18 GLY HA3 H 4.073 0.030 1
129 18 18 GLY C C 172.372 0.300 1
130 18 18 GLY CA C 44.898 0.300 1
131 18 18 GLY N N 113.988 0.300 1
132 19 19 PRO HA H 4.441 0.030 1
133 19 19 PRO HB2 H 2.294 0.030 2
134 19 19 PRO HB3 H 1.911 0.030 2
135 19 19 PRO HD2 H 3.640 0.030 1
136 19 19 PRO HD3 H 3.640 0.030 1
137 19 19 PRO HG2 H 2.028 0.030 1
138 19 19 PRO HG3 H 2.028 0.030 1
139 19 19 PRO C C 177.039 0.300 1
140 19 19 PRO CA C 63.268 0.300 1
141 19 19 PRO CB C 32.159 0.300 1
142 19 19 PRO CD C 49.848 0.300 1
143 19 19 PRO CG C 27.230 0.300 1
144 20 20 ARG H H 8.414 0.030 1
145 20 20 ARG HA H 4.339 0.030 1
146 20 20 ARG HB2 H 1.867 0.030 2
147 20 20 ARG HB3 H 1.789 0.030 2
148 20 20 ARG HD2 H 3.225 0.030 2
149 20 20 ARG HG2 H 1.617 0.030 1
150 20 20 ARG HG3 H 1.617 0.030 1
151 20 20 ARG C C 176.312 0.300 1
152 20 20 ARG CA C 56.111 0.300 1
153 20 20 ARG CB C 30.612 0.300 1
154 20 20 ARG CD C 43.498 0.300 1
155 20 20 ARG CG C 27.017 0.300 1
156 20 20 ARG N N 120.839 0.300 1
157 21 21 LEU H H 8.306 0.030 1
158 21 21 LEU HA H 4.405 0.030 1
159 21 21 LEU HB2 H 1.625 0.030 2
160 21 21 LEU HD1 H 0.919 0.030 1
161 21 21 LEU HD2 H 0.919 0.030 1
162 21 21 LEU HG H 1.625 0.030 1
163 21 21 LEU C C 177.403 0.300 1
164 21 21 LEU CA C 55.141 0.300 1
165 21 21 LEU CB C 42.190 0.300 1
166 21 21 LEU CD1 C 25.122 0.300 2
167 21 21 LEU CD2 C 23.392 0.300 2
168 21 21 LEU CG C 27.017 0.300 1
169 21 21 LEU N N 123.561 0.300 1
170 22 22 GLN H H 8.406 0.030 1
171 22 22 GLN HA H 4.336 0.030 1
172 22 22 GLN HB2 H 2.110 0.030 2
173 22 22 GLN HB3 H 1.994 0.030 2
174 22 22 GLN HE21 H 7.557 0.030 2
175 22 22 GLN HE22 H 6.874 0.030 2
176 22 22 GLN HG2 H 2.369 0.030 1
177 22 22 GLN HG3 H 2.369 0.030 1
178 22 22 GLN C C 175.699 0.300 1
179 22 22 GLN CA C 56.181 0.300 1
180 22 22 GLN CB C 29.492 0.300 1
181 22 22 GLN CG C 33.873 0.300 1
182 22 22 GLN N N 120.835 0.300 1
183 22 22 GLN NE2 N 112.130 0.300 1
184 24 24 SER HA H 4.451 0.030 1
185 24 24 SER HB2 H 3.775 0.030 2
186 24 24 SER HB3 H 3.712 0.030 2
187 24 24 SER C C 173.514 0.300 1
188 24 24 SER CA C 58.579 0.300 1
189 24 24 SER CB C 63.967 0.300 1
190 25 25 THR H H 7.806 0.030 1
191 25 25 THR HA H 4.348 0.030 1
192 25 25 THR HB H 3.905 0.030 1
193 25 25 THR HG2 H 1.020 0.030 1
194 25 25 THR C C 173.359 0.300 1
195 25 25 THR CA C 61.593 0.300 1
196 25 25 THR CB C 70.716 0.300 1
197 25 25 THR CG2 C 21.826 0.300 1
198 25 25 THR N N 114.185 0.300 1
199 26 26 TYR H H 8.598 0.030 1
200 26 26 TYR HA H 4.670 0.030 1
201 26 26 TYR HB2 H 2.619 0.030 2
202 26 26 TYR HB3 H 2.833 0.030 2
203 26 26 TYR HD1 H 6.833 0.030 1
204 26 26 TYR HD2 H 6.833 0.030 1
205 26 26 TYR HE1 H 6.662 0.030 1
206 26 26 TYR HE2 H 6.662 0.030 1
207 26 26 TYR C C 174.444 0.300 1
208 26 26 TYR CA C 56.798 0.300 1
209 26 26 TYR CB C 39.717 0.300 1
210 26 26 TYR CD1 C 132.963 0.300 1
211 26 26 TYR CD2 C 132.963 0.300 1
212 26 26 TYR CE1 C 118.064 0.300 1
213 26 26 TYR CE2 C 118.064 0.300 1
214 26 26 TYR N N 121.326 0.300 1
215 27 27 GLN H H 8.528 0.030 1
216 27 27 GLN HA H 4.670 0.030 1
217 27 27 GLN HB2 H 1.996 0.030 2
218 27 27 GLN HB3 H 1.903 0.030 2
219 27 27 GLN HE21 H 7.818 0.030 2
220 27 27 GLN HE22 H 6.478 0.030 2
221 27 27 GLN HG2 H 2.218 0.030 2
222 27 27 GLN HG3 H 2.129 0.030 2
223 27 27 GLN C C 175.055 0.300 1
224 27 27 GLN CA C 54.718 0.300 1
225 27 27 GLN CB C 30.938 0.300 1
226 27 27 GLN CG C 33.363 0.300 1
227 27 27 GLN N N 123.045 0.300 1
228 27 27 GLN NE2 N 113.655 0.300 1
229 28 28 CYS H H 8.682 0.030 1
230 28 28 CYS HA H 4.331 0.030 1
231 28 28 CYS HB2 H 3.276 0.030 2
232 28 28 CYS HB3 H 2.545 0.030 2
233 28 28 CYS C C 176.610 0.300 1
234 28 28 CYS CA C 60.394 0.300 1
235 28 28 CYS CB C 29.850 0.300 1
236 28 28 CYS N N 129.276 0.300 1
237 29 29 LYS H H 8.454 0.030 1
238 29 29 LYS HA H 4.257 0.030 1
239 29 29 LYS HB2 H 1.597 0.030 2
240 29 29 LYS HB3 H 1.511 0.030 2
241 29 29 LYS HD2 H 1.578 0.030 1
242 29 29 LYS HD3 H 1.578 0.030 1
243 29 29 LYS HE2 H 2.911 0.030 1
244 29 29 LYS HE3 H 2.911 0.030 1
245 29 29 LYS HG2 H 1.230 0.030 2
246 29 29 LYS HG3 H 0.887 0.030 2
247 29 29 LYS C C 176.581 0.300 1
248 29 29 LYS CA C 57.584 0.300 1
249 29 29 LYS CB C 32.145 0.300 1
250 29 29 LYS CD C 28.995 0.300 1
251 29 29 LYS CE C 42.042 0.300 1
252 29 29 LYS CG C 24.133 0.300 1
253 29 29 LYS N N 127.445 0.300 1
254 30 30 HIS H H 9.625 0.030 1
255 30 30 HIS HA H 4.608 0.030 1
256 30 30 HIS HB2 H 2.610 0.030 2
257 30 30 HIS HB3 H 1.880 0.030 2
258 30 30 HIS HE1 H 7.737 0.030 1
259 30 30 HIS C C 175.524 0.300 1
260 30 30 HIS CA C 56.956 0.300 1
261 30 30 HIS CB C 30.732 0.300 1
262 30 30 HIS CE1 C 139.253 0.300 1
263 30 30 HIS N N 121.657 0.300 1
264 31 31 CYS H H 8.086 0.030 1
265 31 31 CYS HA H 5.078 0.030 1
266 31 31 CYS HB2 H 3.473 0.030 2
267 31 31 CYS HB3 H 3.088 0.030 2
268 31 31 CYS C C 173.769 0.300 1
269 31 31 CYS CA C 58.349 0.300 1
270 31 31 CYS CB C 31.268 0.300 1
271 31 31 CYS N N 118.457 0.300 1
272 32 32 ASP H H 8.135 0.030 1
273 32 32 ASP HA H 4.637 0.030 1
274 32 32 ASP HB2 H 2.859 0.030 1
275 32 32 ASP HB3 H 2.859 0.030 1
276 32 32 ASP C C 176.540 0.300 1
277 32 32 ASP CA C 55.687 0.300 1
278 32 32 ASP CB C 40.418 0.300 1
279 32 32 ASP N N 116.820 0.300 1
280 33 33 SER H H 8.667 0.030 1
281 33 33 SER HA H 4.267 0.030 1
282 33 33 SER HB2 H 3.491 0.030 2
283 33 33 SER HB3 H 3.380 0.030 2
284 33 33 SER C C 172.462 0.300 1
285 33 33 SER CA C 61.452 0.300 1
286 33 33 SER CB C 63.893 0.300 1
287 33 33 SER N N 119.488 0.300 1
288 34 34 LYS H H 8.389 0.030 1
289 34 34 LYS HA H 4.747 0.030 1
290 34 34 LYS HB2 H 1.714 0.030 2
291 34 34 LYS HB3 H 1.655 0.030 2
292 34 34 LYS HD2 H 1.656 0.030 1
293 34 34 LYS HD3 H 1.656 0.030 1
294 34 34 LYS HE2 H 2.997 0.030 1
295 34 34 LYS HE3 H 2.997 0.030 1
296 34 34 LYS HG2 H 1.499 0.030 2
297 34 34 LYS HG3 H 1.247 0.030 2
298 34 34 LYS C C 175.517 0.300 1
299 34 34 LYS CA C 55.476 0.300 1
300 34 34 LYS CB C 33.526 0.300 1
301 34 34 LYS CD C 29.490 0.300 1
302 34 34 LYS CE C 42.262 0.300 1
303 34 34 LYS CG C 25.176 0.300 1
304 34 34 LYS N N 122.954 0.300 1
305 35 35 LEU H H 8.825 0.030 1
306 35 35 LEU HA H 4.847 0.030 1
307 35 35 LEU HB2 H 1.873 0.030 2
308 35 35 LEU HB3 H 1.783 0.030 2
309 35 35 LEU HD1 H 0.573 0.030 1
310 35 35 LEU HD2 H 0.731 0.030 1
311 35 35 LEU HG H 1.602 0.030 1
312 35 35 LEU C C 177.476 0.300 1
313 35 35 LEU CA C 52.673 0.300 1
314 35 35 LEU CB C 42.115 0.300 1
315 35 35 LEU CD1 C 24.718 0.300 2
316 35 35 LEU CD2 C 22.881 0.300 2
317 35 35 LEU CG C 28.558 0.300 1
318 35 35 LEU N N 126.489 0.300 1
319 36 36 GLN H H 8.883 0.030 1
320 36 36 GLN HA H 4.565 0.030 1
321 36 36 GLN HB2 H 2.339 0.030 2
322 36 36 GLN HB3 H 2.093 0.030 2
323 36 36 GLN HE21 H 7.666 0.030 2
324 36 36 GLN HE22 H 6.814 0.030 2
325 36 36 GLN HG2 H 2.489 0.030 2
326 36 36 GLN HG3 H 2.416 0.030 2
327 36 36 GLN C C 175.227 0.300 1
328 36 36 GLN CA C 56.763 0.300 1
329 36 36 GLN CB C 30.225 0.300 1
330 36 36 GLN CG C 34.351 0.300 1
331 36 36 GLN N N 116.410 0.300 1
332 36 36 GLN NE2 N 112.405 0.300 1
333 37 37 SER H H 7.345 0.030 1
334 37 37 SER HA H 4.569 0.030 1
335 37 37 SER HB2 H 4.206 0.030 2
336 37 37 SER HB3 H 3.984 0.030 2
337 37 37 SER C C 179.414 0.300 1
338 37 37 SER CA C 56.780 0.300 1
339 37 37 SER CB C 66.444 0.300 1
340 37 37 SER N N 110.125 0.300 1
341 38 38 THR H H 8.099 0.030 1
342 38 38 THR HA H 3.627 0.030 1
343 38 38 THR HB H 4.100 0.030 1
344 38 38 THR HG2 H 1.141 0.030 1
345 38 38 THR CA C 65.831 0.300 1
346 38 38 THR CB C 68.118 0.300 1
347 38 38 THR CG2 C 22.333 0.300 1
348 38 38 THR N N 121.696 0.300 1
349 39 39 ALA HA H 4.155 0.030 1
350 39 39 ALA HB H 1.426 0.030 1
351 39 39 ALA C C 180.623 0.300 1
352 39 39 ALA CA C 55.406 0.300 1
353 39 39 ALA CB C 18.098 0.300 1
354 40 40 GLU H H 7.881 0.030 1
355 40 40 GLU HA H 4.114 0.030 1
356 40 40 GLU HB2 H 2.149 0.030 2
357 40 40 GLU HB3 H 2.035 0.030 2
358 40 40 GLU HG2 H 2.388 0.030 2
359 40 40 GLU HG3 H 2.306 0.030 2
360 40 40 GLU C C 179.352 0.300 1
361 40 40 GLU CA C 58.914 0.300 1
362 40 40 GLU CB C 30.822 0.300 1
363 40 40 GLU CG C 37.316 0.300 1
364 40 40 GLU N N 118.475 0.300 1
365 41 41 LEU H H 8.096 0.030 1
366 41 41 LEU HA H 4.115 0.030 1
367 41 41 LEU HB2 H 2.033 0.030 2
368 41 41 LEU HB3 H 1.327 0.030 2
369 41 41 LEU HD1 H 0.864 0.030 1
370 41 41 LEU HD2 H 0.919 0.030 1
371 41 41 LEU HG H 1.606 0.030 1
372 41 41 LEU C C 177.620 0.300 1
373 41 41 LEU CA C 58.841 0.300 1
374 41 41 LEU CB C 41.442 0.300 1
375 41 41 LEU CD1 C 22.815 0.300 2
376 41 41 LEU CD2 C 25.035 0.300 2
377 41 41 LEU CG C 26.990 0.300 1
378 41 41 LEU N N 121.715 0.300 1
379 42 42 THR H H 8.599 0.030 1
380 42 42 THR HA H 3.860 0.030 1
381 42 42 THR HB H 4.282 0.030 1
382 42 42 THR HG2 H 1.261 0.030 1
383 42 42 THR C C 176.761 0.300 1
384 42 42 THR CA C 67.345 0.300 1
385 42 42 THR CB C 68.758 0.300 1
386 42 42 THR CG2 C 21.671 0.300 1
387 42 42 THR N N 115.801 0.300 1
388 43 43 SER H H 7.833 0.030 1
389 43 43 SER HA H 4.251 0.030 1
390 43 43 SER HB2 H 3.978 0.030 1
391 43 43 SER HB3 H 3.978 0.030 1
392 43 43 SER C C 176.836 0.300 1
393 43 43 SER CA C 61.646 0.300 1
394 43 43 SER CB C 62.750 0.300 1
395 43 43 SER N N 115.657 0.300 1
396 44 44 HIS H H 8.415 0.030 1
397 44 44 HIS HA H 4.182 0.030 1
398 44 44 HIS HB2 H 3.594 0.030 2
399 44 44 HIS HB3 H 3.297 0.030 2
400 44 44 HIS HD2 H 7.274 0.030 1
401 44 44 HIS HE1 H 7.870 0.030 1
402 44 44 HIS C C 177.125 0.300 1
403 44 44 HIS CA C 60.094 0.300 1
404 44 44 HIS CB C 28.846 0.300 1
405 44 44 HIS CD2 C 127.144 0.300 1
406 44 44 HIS CE1 C 139.635 0.300 1
407 44 44 HIS N N 122.271 0.300 1
408 45 45 LEU H H 8.854 0.030 1
409 45 45 LEU HA H 4.100 0.030 1
410 45 45 LEU HB2 H 2.102 0.030 2
411 45 45 LEU HB3 H 1.680 0.030 2
412 45 45 LEU HD1 H 1.092 0.030 1
413 45 45 LEU HD2 H 1.382 0.030 1
414 45 45 LEU HG H 2.196 0.030 1
415 45 45 LEU C C 179.448 0.300 1
416 45 45 LEU CA C 58.297 0.300 1
417 45 45 LEU CB C 41.666 0.300 1
418 45 45 LEU CD1 C 25.838 0.300 2
419 45 45 LEU CD2 C 24.463 0.300 2
420 45 45 LEU CG C 27.151 0.300 1
421 45 45 LEU N N 118.289 0.300 1
422 46 46 ASN H H 7.730 0.030 1
423 46 46 ASN HA H 4.502 0.030 1
424 46 46 ASN HB2 H 2.916 0.030 2
425 46 46 ASN HB3 H 2.787 0.030 2
426 46 46 ASN HD21 H 7.653 0.030 2
427 46 46 ASN HD22 H 6.976 0.030 2
428 46 46 ASN C C 177.759 0.300 1
429 46 46 ASN CA C 56.163 0.300 1
430 46 46 ASN CB C 38.069 0.300 1
431 46 46 ASN N N 117.155 0.300 1
432 46 46 ASN ND2 N 113.208 0.300 1
433 47 47 ILE H H 7.670 0.030 1
434 47 47 ILE HA H 3.787 0.030 1
435 47 47 ILE HB H 1.674 0.030 1
436 47 47 ILE HD1 H 0.707 0.030 1
437 47 47 ILE HG12 H 1.196 0.030 2
438 47 47 ILE HG13 H 1.019 0.030 2
439 47 47 ILE HG2 H 0.609 0.030 1
440 47 47 ILE C C 178.447 0.300 1
441 47 47 ILE CA C 64.273 0.300 1
442 47 47 ILE CB C 37.214 0.300 1
443 47 47 ILE CD1 C 13.379 0.300 1
444 47 47 ILE CG1 C 27.624 0.300 1
445 47 47 ILE CG2 C 16.663 0.300 1
446 47 47 ILE N N 119.392 0.300 1
447 48 48 HIS H H 6.999 0.030 1
448 48 48 HIS HA H 4.437 0.030 1
449 48 48 HIS HB2 H 2.993 0.030 2
450 48 48 HIS HB3 H 2.629 0.030 2
451 48 48 HIS HD2 H 6.736 0.030 1
452 48 48 HIS HE1 H 8.000 0.030 1
453 48 48 HIS C C 175.932 0.300 1
454 48 48 HIS CA C 56.855 0.300 1
455 48 48 HIS CB C 27.971 0.300 1
456 48 48 HIS CD2 C 127.469 0.300 1
457 48 48 HIS CE1 C 140.391 0.300 1
458 48 48 HIS N N 116.931 0.300 1
459 49 49 ASN H H 8.059 0.030 1
460 49 49 ASN HA H 4.555 0.030 1
461 49 49 ASN HB2 H 2.963 0.030 2
462 49 49 ASN HB3 H 2.923 0.030 2
463 49 49 ASN HD21 H 7.771 0.030 2
464 49 49 ASN HD22 H 6.981 0.030 2
465 49 49 ASN C C 177.139 0.300 1
466 49 49 ASN CA C 55.552 0.300 1
467 49 49 ASN CB C 38.495 0.300 1
468 49 49 ASN N N 118.208 0.300 1
469 49 49 ASN ND2 N 112.523 0.300 1
470 50 50 GLU H H 8.336 0.030 1
471 50 50 GLU HA H 4.090 0.030 1
472 50 50 GLU HB2 H 2.088 0.030 1
473 50 50 GLU HB3 H 2.088 0.030 1
474 50 50 GLU HG2 H 2.394 0.030 2
475 50 50 GLU HG3 H 2.271 0.030 2
476 50 50 GLU C C 178.637 0.300 1
477 50 50 GLU CA C 59.246 0.300 1
478 50 50 GLU CB C 29.582 0.300 1
479 50 50 GLU CG C 36.419 0.300 1
480 50 50 GLU N N 121.316 0.300 1
481 51 51 GLU H H 7.932 0.030 1
482 51 51 GLU HA H 4.093 0.030 1
483 51 51 GLU HB2 H 2.109 0.030 2
484 51 51 GLU HB3 H 2.024 0.030 2
485 51 51 GLU HG2 H 2.317 0.030 2
486 51 51 GLU HG3 H 2.257 0.030 2
487 51 51 GLU C C 179.088 0.300 1
488 51 51 GLU CA C 59.037 0.300 1
489 51 51 GLU CB C 29.183 0.300 1
490 51 51 GLU CG C 36.028 0.300 1
491 51 51 GLU N N 120.058 0.300 1
492 52 52 PHE H H 8.345 0.030 1
493 52 52 PHE HA H 4.411 0.030 1
494 52 52 PHE HB2 H 3.316 0.030 2
495 52 52 PHE HB3 H 3.230 0.030 2
496 52 52 PHE HD1 H 7.210 0.030 1
497 52 52 PHE HD2 H 7.210 0.030 1
498 52 52 PHE HE1 H 7.117 0.030 1
499 52 52 PHE HE2 H 7.117 0.030 1
500 52 52 PHE HZ H 6.902 0.030 1
501 52 52 PHE C C 178.654 0.300 1
502 52 52 PHE CA C 59.523 0.300 1
503 52 52 PHE CB C 38.261 0.300 1
504 52 52 PHE CD1 C 131.368 0.300 1
505 52 52 PHE CD2 C 131.368 0.300 1
506 52 52 PHE CE1 C 131.287 0.300 1
507 52 52 PHE CE2 C 131.287 0.300 1
508 52 52 PHE CZ C 129.504 0.300 1
509 52 52 PHE N N 119.698 0.300 1
510 53 53 GLN H H 8.197 0.030 1
511 53 53 GLN HA H 4.153 0.030 1
512 53 53 GLN HB2 H 2.188 0.030 1
513 53 53 GLN HB3 H 2.188 0.030 1
514 53 53 GLN HE21 H 7.447 0.030 2
515 53 53 GLN HE22 H 6.928 0.030 2
516 53 53 GLN HG2 H 2.552 0.030 2
517 53 53 GLN HG3 H 2.496 0.030 2
518 53 53 GLN C C 178.059 0.300 1
519 53 53 GLN CA C 58.120 0.300 1
520 53 53 GLN CB C 28.591 0.300 1
521 53 53 GLN CG C 33.918 0.300 1
522 53 53 GLN N N 118.967 0.300 1
523 53 53 GLN NE2 N 111.951 0.300 1
524 54 54 LYS H H 8.008 0.030 1
525 54 54 LYS HA H 4.118 0.030 1
526 54 54 LYS HB2 H 1.919 0.030 1
527 54 54 LYS HB3 H 1.919 0.030 1
528 54 54 LYS HD2 H 1.703 0.030 1
529 54 54 LYS HD3 H 1.703 0.030 1
530 54 54 LYS HE2 H 2.993 0.030 2
531 54 54 LYS HG2 H 1.642 0.030 2
532 54 54 LYS HG3 H 1.457 0.030 2
533 54 54 LYS C C 178.686 0.300 1
534 54 54 LYS CA C 59.002 0.300 1
535 54 54 LYS CB C 32.608 0.300 1
536 54 54 LYS CD C 29.299 0.300 1
537 54 54 LYS CE C 42.262 0.300 1
538 54 54 LYS CG C 25.474 0.300 1
539 54 54 LYS N N 119.791 0.300 1
540 55 55 ARG H H 7.978 0.030 1
541 55 55 ARG HA H 4.136 0.030 1
542 55 55 ARG HB2 H 1.909 0.030 1
543 55 55 ARG HB3 H 1.909 0.030 1
544 55 55 ARG HD2 H 3.214 0.030 1
545 55 55 ARG HD3 H 3.214 0.030 1
546 55 55 ARG HG2 H 1.788 0.030 2
547 55 55 ARG HG3 H 1.648 0.030 2
548 55 55 ARG C C 177.610 0.300 1
549 55 55 ARG CA C 58.183 0.300 1
550 55 55 ARG CB C 30.410 0.300 1
551 55 55 ARG CD C 43.746 0.300 1
552 55 55 ARG CG C 27.366 0.300 1
553 55 55 ARG N N 119.619 0.300 1
554 56 56 ALA H H 8.008 0.030 1
555 56 56 ALA HA H 4.196 0.030 1
556 56 56 ALA HB H 1.416 0.030 1
557 56 56 ALA C C 179.269 0.300 1
558 56 56 ALA CA C 53.930 0.300 1
559 56 56 ALA CB C 18.539 0.300 1
560 56 56 ALA N N 122.850 0.300 1
561 57 57 LYS H H 8.014 0.030 1
562 57 57 LYS HA H 4.225 0.030 1
563 57 57 LYS HB2 H 1.920 0.030 1
564 57 57 LYS HB3 H 1.920 0.030 1
565 57 57 LYS HD2 H 1.708 0.030 1
566 57 57 LYS HD3 H 1.708 0.030 1
567 57 57 LYS HE2 H 2.992 0.030 1
568 57 57 LYS HE3 H 2.992 0.030 1
569 57 57 LYS HG2 H 1.566 0.030 2
570 57 57 LYS HG3 H 1.486 0.030 2
571 57 57 LYS C C 177.892 0.300 1
572 57 57 LYS CA C 57.504 0.300 1
573 57 57 LYS CB C 32.646 0.300 1
574 57 57 LYS CD C 29.158 0.300 1
575 57 57 LYS CE C 42.345 0.300 1
576 57 57 LYS CG C 25.008 0.300 1
577 57 57 LYS N N 118.986 0.300 1
578 58 58 ARG H H 8.039 0.030 1
579 58 58 ARG HA H 4.229 0.030 1
580 58 58 ARG HB2 H 1.845 0.030 1
581 58 58 ARG HB3 H 1.845 0.030 1
582 58 58 ARG HD2 H 3.225 0.030 1
583 58 58 ARG HD3 H 3.225 0.030 1
584 58 58 ARG HG2 H 1.691 0.030 1
585 58 58 ARG HG3 H 1.691 0.030 1
586 58 58 ARG C C 177.156 0.300 1
587 58 58 ARG CA C 57.425 0.300 1
588 58 58 ARG CB C 30.561 0.300 1
589 58 58 ARG CD C 43.498 0.300 1
590 58 58 ARG CG C 27.265 0.300 1
591 58 58 ARG N N 120.747 0.300 1
592 59 59 GLN H H 8.195 0.030 1
593 59 59 GLN HA H 4.228 0.030 1
594 59 59 GLN HB2 H 1.849 0.030 1
595 59 59 GLN HB3 H 1.849 0.030 1
596 59 59 GLN HG2 H 2.341 0.030 2
597 59 59 GLN HG3 H 2.284 0.030 2
598 59 59 GLN CA C 57.412 0.300 1
599 59 59 GLN CB C 32.773 0.300 1
600 59 59 GLN CG C 36.252 0.300 1
601 59 59 GLN N N 121.145 0.300 1
602 60 60 GLU HA H 4.256 0.030 1
603 60 60 GLU HB2 H 2.028 0.030 1
604 60 60 GLU HB3 H 2.028 0.030 1
605 60 60 GLU HG2 H 2.323 0.030 1
606 60 60 GLU HG3 H 2.323 0.030 1
607 60 60 GLU CA C 56.093 0.300 1
608 60 60 GLU CB C 29.429 0.300 1
609 60 60 GLU CG C 33.855 0.300 1
610 63 63 LYS HA H 4.263 0.030 1
611 63 63 LYS HB2 H 1.881 0.030 1
612 63 63 LYS HB3 H 1.881 0.030 1
613 63 63 LYS HE2 H 3.208 0.030 1
614 63 63 LYS HE3 H 3.208 0.030 1
615 63 63 LYS HG2 H 1.668 0.030 1
616 63 63 LYS HG3 H 1.668 0.030 1
617 63 63 LYS CA C 56.908 0.300 1
618 63 63 LYS CB C 32.778 0.300 1
619 64 64 GLN H H 8.261 0.030 1
620 64 64 GLN HA H 4.253 0.030 1
621 64 64 GLN HB2 H 2.119 0.030 1
622 64 64 GLN HB3 H 2.119 0.030 1
623 64 64 GLN HE21 H 7.514 0.030 2
624 64 64 GLN HE22 H 6.877 0.030 2
625 64 64 GLN HG2 H 2.432 0.030 1
626 64 64 GLN HG3 H 2.432 0.030 1
627 64 64 GLN C C 176.687 0.300 1
628 64 64 GLN CA C 56.780 0.300 1
629 64 64 GLN CB C 29.198 0.300 1
630 64 64 GLN CG C 33.879 0.300 1
631 64 64 GLN N N 120.299 0.300 1
632 64 64 GLN NE2 N 112.144 0.300 1
633 65 65 LEU H H 8.190 0.030 1
634 65 65 LEU HA H 4.306 0.030 1
635 65 65 LEU HB2 H 1.717 0.030 2
636 65 65 LEU HB3 H 1.616 0.030 2
637 65 65 LEU HD1 H 0.924 0.030 1
638 65 65 LEU HD2 H 0.873 0.030 1
639 65 65 LEU HG H 1.658 0.030 1
640 65 65 LEU C C 177.894 0.300 1
641 65 65 LEU CA C 55.952 0.300 1
642 65 65 LEU CB C 42.313 0.300 1
643 65 65 LEU CD1 C 25.122 0.300 2
644 65 65 LEU CD2 C 23.557 0.300 2
645 65 65 LEU CG C 27.182 0.300 1
646 65 65 LEU N N 122.723 0.300 1
647 66 66 LEU H H 8.165 0.030 1
648 66 66 LEU HA H 4.305 0.030 1
649 66 66 LEU HB2 H 1.647 0.030 2
650 66 66 LEU HB3 H 1.615 0.030 2
651 66 66 LEU HD1 H 0.873 0.030 1
652 66 66 LEU HD2 H 0.919 0.030 1
653 66 66 LEU HG H 1.647 0.030 1
654 66 66 LEU C C 177.867 0.300 1
655 66 66 LEU CA C 55.775 0.300 1
656 66 66 LEU CB C 42.336 0.300 1
657 66 66 LEU CD1 C 23.392 0.300 2
658 66 66 LEU CD2 C 25.073 0.300 2
659 66 66 LEU CG C 27.077 0.300 1
660 66 66 LEU N N 121.812 0.300 1
661 67 67 SER H H 8.104 0.030 1
662 67 67 SER CA C 58.896 0.300 1
663 67 67 SER CB C 63.674 0.300 1
664 67 67 SER N N 115.632 0.300 1
665 69 69 GLN HA H 4.221 0.030 1
666 69 69 GLN HB2 H 2.055 0.030 1
667 69 69 GLN HB3 H 2.055 0.030 1
668 69 69 GLN HG2 H 2.341 0.030 2
669 69 69 GLN HG3 H 2.285 0.030 2
670 69 69 GLN CA C 57.547 0.300 1
671 69 69 GLN CB C 30.314 0.300 1
672 69 69 GLN CG C 36.263 0.300 1
673 70 70 LYS H H 8.255 0.030 1
674 70 70 LYS HA H 4.220 0.030 1
675 70 70 LYS HB2 H 1.669 0.030 1
676 70 70 LYS HB3 H 1.669 0.030 1
677 70 70 LYS HD2 H 1.628 0.030 1
678 70 70 LYS HD3 H 1.628 0.030 1
679 70 70 LYS HE2 H 2.960 0.030 1
680 70 70 LYS HE3 H 2.960 0.030 1
681 70 70 LYS HG2 H 1.321 0.030 2
682 70 70 LYS HG3 H 1.222 0.030 2
683 70 70 LYS C C 176.303 0.300 1
684 70 70 LYS CA C 56.639 0.300 1
685 70 70 LYS CB C 33.080 0.300 1
686 70 70 LYS CD C 29.160 0.300 1
687 70 70 LYS CE C 42.097 0.300 1
688 70 70 LYS CG C 24.710 0.300 1
689 70 70 LYS N N 121.417 0.300 1
690 71 71 TYR H H 8.142 0.030 1
691 71 71 TYR HA H 4.571 0.030 1
692 71 71 TYR HB2 H 3.095 0.030 2
693 71 71 TYR HB3 H 2.919 0.030 2
694 71 71 TYR HD1 H 7.117 0.030 1
695 71 71 TYR HD2 H 7.117 0.030 1
696 71 71 TYR HE1 H 6.817 0.030 1
697 71 71 TYR HE2 H 6.817 0.030 1
698 71 71 TYR C C 175.736 0.300 1
699 71 71 TYR CA C 57.768 0.300 1
700 71 71 TYR CB C 38.894 0.300 1
701 71 71 TYR CD1 C 133.355 0.300 1
702 71 71 TYR CD2 C 133.355 0.300 1
703 71 71 TYR CE1 C 118.260 0.300 1
704 71 71 TYR CE2 C 118.260 0.300 1
705 71 71 TYR N N 120.561 0.300 1
706 72 72 ALA H H 8.237 0.030 1
707 72 72 ALA HA H 4.292 0.030 1
708 72 72 ALA HB H 1.378 0.030 1
709 72 72 ALA C C 177.276 0.300 1
710 72 72 ALA CA C 52.642 0.300 1
711 72 72 ALA CB C 19.405 0.300 1
712 72 72 ALA N N 125.192 0.300 1
713 73 73 ASP H H 8.220 0.030 1
714 73 73 ASP HA H 4.549 0.030 1
715 73 73 ASP HB2 H 2.707 0.030 1
716 73 73 ASP HB3 H 2.707 0.030 1
717 73 73 ASP C C 176.922 0.300 1
718 73 73 ASP CA C 54.682 0.300 1
719 73 73 ASP CB C 41.239 0.300 1
720 73 73 ASP N N 119.269 0.300 1
721 74 74 GLY H H 8.269 0.030 1
722 74 74 GLY HA2 H 3.963 0.030 2
723 74 74 GLY HA3 H 3.879 0.030 2
724 74 74 GLY C C 174.132 0.300 1
725 74 74 GLY CA C 45.551 0.300 1
726 74 74 GLY N N 109.209 0.300 1
727 75 75 ALA H H 8.048 0.030 1
728 75 75 ALA HA H 4.221 0.030 1
729 75 75 ALA HB H 1.276 0.030 1
730 75 75 ALA C C 177.507 0.300 1
731 75 75 ALA CA C 52.638 0.300 1
732 75 75 ALA CB C 19.281 0.300 1
733 75 75 ALA N N 123.382 0.300 1
734 76 76 PHE H H 8.126 0.030 1
735 76 76 PHE HA H 4.541 0.030 1
736 76 76 PHE HB2 H 3.164 0.030 2
737 76 76 PHE HB3 H 2.985 0.030 2
738 76 76 PHE HD1 H 7.210 0.030 1
739 76 76 PHE HD2 H 7.210 0.030 1
740 76 76 PHE C C 175.620 0.300 1
741 76 76 PHE CA C 57.733 0.300 1
742 76 76 PHE CB C 39.429 0.300 1
743 76 76 PHE N N 118.540 0.300 1
744 77 77 ALA H H 8.017 0.030 1
745 77 77 ALA HA H 4.207 0.030 1
746 77 77 ALA HB H 1.281 0.030 1
747 77 77 ALA C C 176.990 0.300 1
748 77 77 ALA CA C 52.602 0.300 1
749 77 77 ALA CB C 19.528 0.300 1
750 77 77 ALA N N 124.826 0.300 1
751 78 78 ASP H H 8.061 0.030 1
752 78 78 ASP HA H 4.538 0.030 1
753 78 78 ASP HB2 H 2.646 0.030 2
754 78 78 ASP HB3 H 2.527 0.030 2
755 78 78 ASP C C 175.908 0.300 1
756 78 78 ASP CA C 54.189 0.300 1
757 78 78 ASP CB C 41.242 0.300 1
758 78 78 ASP N N 119.019 0.300 1
759 79 79 PHE H H 8.023 0.030 1
760 79 79 PHE HA H 4.586 0.030 1
761 79 79 PHE HB2 H 3.132 0.030 2
762 79 79 PHE HB3 H 3.052 0.030 2
763 79 79 PHE HD1 H 7.228 0.030 1
764 79 79 PHE HD2 H 7.228 0.030 1
765 79 79 PHE C C 175.551 0.300 1
766 79 79 PHE CA C 57.891 0.300 1
767 79 79 PHE CB C 39.484 0.300 1
768 79 79 PHE N N 120.449 0.300 1
769 80 80 LYS H H 8.161 0.030 1
770 80 80 LYS HA H 4.251 0.030 1
771 80 80 LYS HB2 H 1.777 0.030 2
772 80 80 LYS HB3 H 1.707 0.030 2
773 80 80 LYS HD2 H 1.658 0.030 2
774 80 80 LYS HE2 H 2.993 0.030 2
775 80 80 LYS HG2 H 1.338 0.030 2
776 80 80 LYS C C 176.027 0.300 1
777 80 80 LYS CA C 56.233 0.300 1
778 80 80 LYS CB C 33.084 0.300 1
779 80 80 LYS CD C 29.160 0.300 1
780 80 80 LYS CE C 42.097 0.300 1
781 80 80 LYS CG C 24.710 0.300 1
782 80 80 LYS N N 123.309 0.300 1
783 81 81 GLN H H 8.329 0.030 1
784 81 81 GLN HA H 4.284 0.030 1
785 81 81 GLN HB2 H 2.090 0.030 1
786 81 81 GLN HB3 H 2.090 0.030 1
787 81 81 GLN HE21 H 7.534 0.030 2
788 81 81 GLN HE22 H 6.862 0.030 2
789 81 81 GLN HG2 H 2.364 0.030 1
790 81 81 GLN HG3 H 2.364 0.030 1
791 81 81 GLN C C 176.009 0.300 1
792 81 81 GLN CA C 55.952 0.300 1
793 81 81 GLN CB C 29.623 0.300 1
794 81 81 GLN CG C 33.939 0.300 1
795 81 81 GLN N N 121.944 0.300 1
796 81 81 GLN NE2 N 112.260 0.300 1
797 82 82 GLU H H 8.542 0.030 1
798 82 82 GLU HA H 4.350 0.030 1
799 82 82 GLU HB2 H 1.992 0.030 2
800 82 82 GLU HB3 H 1.904 0.030 2
801 82 82 GLU HG2 H 2.254 0.030 2
802 82 82 GLU C C 176.509 0.300 1
803 82 82 GLU CA C 56.675 0.300 1
804 82 82 GLU CB C 30.447 0.300 1
805 82 82 GLU CG C 36.247 0.300 1
806 82 82 GLU N N 122.687 0.300 1
807 83 83 SER H H 8.418 0.030 1
808 83 83 SER HA H 4.516 0.030 1
809 83 83 SER HB2 H 3.887 0.030 1
810 83 83 SER HB3 H 3.887 0.030 1
811 83 83 SER C C 174.538 0.300 1
812 83 83 SER CA C 58.403 0.300 1
813 83 83 SER CB C 64.018 0.300 1
814 83 83 SER N N 116.897 0.300 1
815 84 84 GLY H H 8.276 0.030 1
816 84 84 GLY C C 171.814 0.300 1
817 84 84 GLY CA C 44.722 0.300 1
818 84 84 GLY N N 110.673 0.300 1
819 85 85 PRO HA H 4.497 0.030 1
820 85 85 PRO HB2 H 2.283 0.030 2
821 85 85 PRO HB3 H 1.998 0.030 2
822 85 85 PRO HD2 H 3.910 0.030 2
823 85 85 PRO HD3 H 3.708 0.030 2
824 85 85 PRO HG2 H 1.989 0.030 2
825 85 85 PRO C C 177.204 0.300 1
826 85 85 PRO CA C 63.290 0.300 1
827 85 85 PRO CB C 32.228 0.300 1
828 85 85 PRO CD C 51.161 0.300 1
829 85 85 PRO CG C 27.338 0.300 1
830 86 86 SER H H 8.331 0.030 1
831 86 86 SER HA H 4.339 0.030 1
832 86 86 SER C C 174.935 0.300 1
833 86 86 SER CA C 61.769 0.300 1
834 86 86 SER CB C 69.836 0.300 1
835 86 86 SER N N 114.681 0.300 1
836 87 87 SER H H 8.121 0.030 1
837 87 87 SER CA C 61.963 0.300 1
838 87 87 SER CB C 69.818 0.300 1
839 87 87 SER N N 115.469 0.300 1
stop_
save_