data_7364
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution Structure of Variable-type Domain of Human Receptor for Advanced Glycation Endproducts
;
_BMRB_accession_number 7364
_BMRB_flat_file_name bmr7364.str
_Entry_type new
_Submission_date 2007-01-19
_Accession_date 2007-01-23
_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 Matsumoto S. . .
2 Yoshida T. . .
3 Yasumatsu I. . .
4 Yamamoto H. . .
5 Kobayashi Y. . .
6 Ohkubo T. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 460
"13C chemical shifts" 401
"15N chemical shifts" 82
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2009-02-04 original author .
stop_
save_
#############################
# Citation for this entry #
#############################
save_citations
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution Structure of the Variable-Type Domain of the Receptor for Advanced Glycation End Products: New Insight into AGE-RAGE Interaction'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 19032093
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Matsumoto Shigeyuki . .
2 Yoshida Takuya . .
3 Murata Hiroko . .
4 Harada Shusaku . .
5 Fujita Naoko . .
6 Nakamura Shota . .
7 Yamamoto Yasuhiko . .
8 Watanabe Takuo . .
9 Yonekura Hideto . .
10 Yamamoto Hiroshi . .
11 Ohkubo Tadayasu . .
12 Kobayashi Yuji . .
stop_
_Journal_abbreviation Biochemistry
_Journal_volume 47
_Journal_issue 47
_Journal_CSD 0353
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 12299
_Page_last 12311
_Year 2008
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name AG_Endproducts
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
AG_Endproducts $Advanced_glycosylation_end_product-specific_receptor
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_Advanced_glycosylation_end_product-specific_receptor
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Advanced_glycosylation_end_product-specific_receptor
_Molecular_mass .
_Mol_thiol_state 'all disulfide bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 101
_Mol_residue_sequence
;
AMAQNITARIGEPLVLKCKG
APKKPPQRLEWKLNTGRTEA
WKVLSPQGGGPWDSVARVLP
NGSLFLPAVGIQDEGIFRCQ
AMNRNGKETKSNYRVRVYQI
P
;
loop_
_Residue_seq_code
_Residue_label
1 ALA 2 MET 3 ALA 4 GLN 5 ASN
6 ILE 7 THR 8 ALA 9 ARG 10 ILE
11 GLY 12 GLU 13 PRO 14 LEU 15 VAL
16 LEU 17 LYS 18 CYS 19 LYS 20 GLY
21 ALA 22 PRO 23 LYS 24 LYS 25 PRO
26 PRO 27 GLN 28 ARG 29 LEU 30 GLU
31 TRP 32 LYS 33 LEU 34 ASN 35 THR
36 GLY 37 ARG 38 THR 39 GLU 40 ALA
41 TRP 42 LYS 43 VAL 44 LEU 45 SER
46 PRO 47 GLN 48 GLY 49 GLY 50 GLY
51 PRO 52 TRP 53 ASP 54 SER 55 VAL
56 ALA 57 ARG 58 VAL 59 LEU 60 PRO
61 ASN 62 GLY 63 SER 64 LEU 65 PHE
66 LEU 67 PRO 68 ALA 69 VAL 70 GLY
71 ILE 72 GLN 73 ASP 74 GLU 75 GLY
76 ILE 77 PHE 78 ARG 79 CYS 80 GLN
81 ALA 82 MET 83 ASN 84 ARG 85 ASN
86 GLY 87 LYS 88 GLU 89 THR 90 LYS
91 SER 92 ASN 93 TYR 94 ARG 95 VAL
96 ARG 97 VAL 98 TYR 99 GLN 100 ILE
101 PRO
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-28
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
BMRB 17378 V_domain 98.02 105 100.00 100.00 4.50e-65
BMRB 19739 entity_1 100.00 101 100.00 100.00 1.03e-66
BMRB 19953 V_domain 98.02 105 100.00 100.00 4.50e-65
PDB 2E5E "Solution Structure Of Variable-Type Domain Of Human Receptor For Advanced Glycation Endproducts" 100.00 101 100.00 100.00 1.03e-66
PDB 2L7U "Structure Of Cel-pep-rage V Domain Complex" 98.02 105 100.00 100.00 4.50e-65
PDB 2MJW "Structural Insights Into Calcium Bound S100p - V Domain Of The Receptor For Advanced Glycation End Products (rage) Complex" 100.00 101 100.00 100.00 1.03e-66
PDB 2MOV "Receptor For Advanced Glycation End Products (rage) Specifically Recognizes Methylglyoxal Derived Ages" 98.02 105 100.00 100.00 4.50e-65
PDB 3CJJ "Crystal Structure Of Human Rage Ligand-Binding Domain" 99.01 219 100.00 100.00 5.19e-65
PDB 3O3U "Crystal Structure Of Human Receptor For Advanced Glycation Endproducts (Rage)" 100.00 581 99.01 99.01 5.18e-62
PDB 4LP4 "Crystal Structure Of The Human Rage Vc1 Fragment In Space Group P62" 100.00 212 100.00 100.00 1.10e-65
PDB 4LP5 "Crystal Structure Of The Full-length Human Rage Extracellular Domain (vc1c2 Fragment)" 100.00 304 100.00 100.00 5.44e-65
PDB 4OF5 "Refinement Of Rage-dna Complex In 3s59 Without Dna" 98.02 223 100.00 100.00 3.19e-64
PDB 4OFV "Refinement Of Rage-dna Complex In 3s58 Without Dna" 98.02 223 100.00 100.00 3.19e-64
PDB 4OI7 "Rage Recognizes Nucleic Acids And Promotes Inflammatory Responses To Dna" 98.02 223 100.00 100.00 3.19e-64
PDB 4OI8 "Rage Is A Nucleic Acid Receptor That Promotes Inflammatory Responses To Dna." 98.02 223 100.00 100.00 3.19e-64
DBJ BAA05958 "receptor of advanced glycosylation end products of proteins [Homo sapiens]" 98.02 404 100.00 100.00 1.88e-62
DBJ BAA89369 "advanced glycation endproducts receptor [Homo sapiens]" 98.02 404 100.00 100.00 1.88e-62
DBJ BAC65465 "soluble form of receptor for advanced glycation endproducts [Homo sapiens]" 98.02 347 100.00 100.00 6.34e-63
DBJ BAG35995 "unnamed protein product [Homo sapiens]" 98.02 404 100.00 100.00 1.88e-62
DBJ BAG60385 "unnamed protein product [Homo sapiens]" 98.02 435 100.00 100.00 2.84e-62
GB AAA03574 "receptor for advanced glycosylation end products, partial [Homo sapiens]" 98.02 404 98.99 100.00 1.09e-61
GB AAB47491 "receptor for advanced glycosylation end products [Homo sapiens]" 98.02 404 100.00 100.00 1.88e-62
GB AAH20669 "Advanced glycosylation end product-specific receptor [Homo sapiens]" 98.02 404 100.00 100.00 1.88e-62
GB AAX07272 "receptor for advanced glycosylation end-products [Homo sapiens]" 98.02 404 100.00 100.00 1.88e-62
GB AAX07273 "receptor for advanced glycation end-products splice variant 1 [Homo sapiens]" 98.02 347 100.00 100.00 6.34e-63
REF NP_001127 "advanced glycosylation end product-specific receptor isoform 1 precursor [Homo sapiens]" 98.02 404 100.00 100.00 1.88e-62
REF NP_001192046 "advanced glycosylation end product-specific receptor precursor [Macaca mulatta]" 98.02 403 97.98 98.99 2.93e-59
REF NP_001193858 "advanced glycosylation end product-specific receptor isoform 2 precursor [Homo sapiens]" 98.02 420 100.00 100.00 2.69e-62
REF NP_001193863 "advanced glycosylation end product-specific receptor isoform 4 precursor [Homo sapiens]" 98.02 363 100.00 100.00 9.38e-63
REF NP_001193865 "advanced glycosylation end product-specific receptor isoform 5 precursor [Homo sapiens]" 98.02 355 100.00 100.00 2.14e-62
SP Q15109 "RecName: Full=Advanced glycosylation end product-specific receptor; AltName: Full=Receptor for advanced glycosylation end produ" 98.02 404 100.00 100.00 1.88e-62
stop_
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
1 disulphide AG_Endproducts 18 CYS SG AG_Endproducts 79 CYS SG
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Strain
$Advanced_glycosylation_end_product-specific_receptor 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_name
$Advanced_glycosylation_end_product-specific_receptor 'recombinant technology' . . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details '0.2mM Variable-type Domain of Receptor for Advanced Glycation Endproducts U-15N, 13C; 20mM phosphate buffer NA, 100mM NA2SO4; 90% H2O, 10% D2O'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$assembly 0.2 mM '[U-13C; U-15N]'
'phosphate buffer' 20 mM .
Na2SO4 100 mM .
D2O 10 % .
H2O 90 % 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details '0.2mM Variable-type Domain of Receptor for Advanced Glycation Endproducts; 20mM phosphate buffer NA, 100mM NA2SO4; 100% D2O'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$assembly 0.2 mM '[U-13C; U-15N]'
'phosphate buffer' 20 mM .
Na2SO4 100 mM .
D2O 100 % .
stop_
save_
############################
# Computer software used #
############################
save_CNS
_Saveframe_category software
_Name CNS
_Version 1.1
loop_
_Vendor
_Address
_Electronic_address
Brunger . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 500
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_13C-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name 3D_13C-separated_NOESY
_Sample_label .
save_
save_3D_15N-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name 3D_15N-separated_NOESY
_Sample_label .
save_
save_2D_NOESY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D NOESY'
_Sample_label .
save_
save_2D_TOCSY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D TOCSY'
_Sample_label .
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 7.5 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
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_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
3D_13C-separated_NOESY
3D_15N-separated_NOESY
'2D NOESY'
'2D TOCSY'
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name AG_Endproducts
_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 2 2 MET HA H 4.401 . 1
2 2 2 MET HB2 H 2.057 . 2
3 2 2 MET HG2 H 2.572 . 2
4 2 2 MET HG3 H 2.572 . 2
5 2 2 MET C C 175.875 . 1
6 2 2 MET CA C 55.598 . 1
7 2 2 MET CB C 33.109 . 1
8 2 2 MET CE C 17.521 . 1
9 2 2 MET CG C 32.112 . 1
10 3 3 ALA H H 8.582 . 1
11 3 3 ALA HA H 4.318 . 1
12 3 3 ALA HB H 1.246 . 1
13 3 3 ALA C C 177.049 . 1
14 3 3 ALA CA C 51.957 . 1
15 3 3 ALA CB C 19.814 . 1
16 3 3 ALA N N 125.954 . 1
17 4 4 GLN H H 8.479 . 1
18 4 4 GLN HA H 4.427 . 1
19 4 4 GLN HB2 H 2.138 . 2
20 4 4 GLN HG2 H 2.421 . 2
21 4 4 GLN HG3 H 2.491 . 2
22 4 4 GLN C C 175.508 . 1
23 4 4 GLN CA C 55.064 . 1
24 4 4 GLN CB C 30.135 . 1
25 4 4 GLN CG C 34.009 . 1
26 4 4 GLN N N 122.051 . 1
27 5 5 ASN H H 9.039 . 1
28 5 5 ASN HA H 5.350 . 1
29 5 5 ASN HB2 H 2.795 . 2
30 5 5 ASN C C 174.808 . 1
31 5 5 ASN CA C 53.802 . 1
32 5 5 ASN CB C 39.355 . 1
33 5 5 ASN N N 125.847 . 1
34 6 6 ILE H H 9.234 . 1
35 6 6 ILE HA H 4.575 . 1
36 6 6 ILE HB H 2.019 . 1
37 6 6 ILE HD1 H 0.837 . 1
38 6 6 ILE HG12 H 1.633 . 9
39 6 6 ILE HG13 H 1.633 . 9
40 6 6 ILE HG2 H 1.266 . 4
41 6 6 ILE C C 175.061 . 1
42 6 6 ILE CA C 58.306 . 1
43 6 6 ILE CB C 39.937 . 1
44 6 6 ILE CD1 C 10.800 . 1
45 6 6 ILE CG1 C 27.099 . 2
46 6 6 ILE CG2 C 17.364 . 2
47 6 6 ILE N N 127.299 . 1
48 7 7 THR H H 8.736 . 1
49 7 7 THR HA H 5.128 . 1
50 7 7 THR HB H 3.982 . 1
51 7 7 THR HG2 H 1.089 . 1
52 7 7 THR C C 173.304 . 1
53 7 7 THR CA C 61.003 . 1
54 7 7 THR CB C 69.926 . 1
55 7 7 THR CG2 C 22.110 . 1
56 7 7 THR N N 122.862 . 1
57 8 8 ALA H H 9.024 . 1
58 8 8 ALA HA H 4.728 . 1
59 8 8 ALA HB H 1.289 . 1
60 8 8 ALA C C 174.823 . 1
61 8 8 ALA CA C 50.255 . 1
62 8 8 ALA CB C 23.410 . 1
63 8 8 ALA N N 129.660 . 1
64 9 9 ARG H H 8.375 . 1
65 9 9 ARG HA H 4.388 . 1
66 9 9 ARG HB2 H 1.635 . 2
67 9 9 ARG HB3 H 1.478 . 2
68 9 9 ARG HD2 H 3.055 . 2
69 9 9 ARG HD3 H 3.055 . 2
70 9 9 ARG HG2 H 1.565 . 2
71 9 9 ARG C C 176.278 . 1
72 9 9 ARG CA C 55.062 . 1
73 9 9 ARG CB C 31.466 . 1
74 9 9 ARG CD C 43.470 . 1
75 9 9 ARG CG C 27.489 . 1
76 9 9 ARG N N 121.635 . 1
77 10 10 ILE H H 8.273 . 1
78 10 10 ILE HA H 3.531 . 1
79 10 10 ILE HB H 1.607 . 1
80 10 10 ILE HD1 H 0.892 . 1
81 10 10 ILE HG12 H 0.970 . 1
82 10 10 ILE HG13 H 1.532 . 1
83 10 10 ILE HG2 H 0.986 . 2
84 10 10 ILE C C 176.756 . 1
85 10 10 ILE CA C 62.860 . 1
86 10 10 ILE CB C 38.455 . 1
87 10 10 ILE CD1 C 14.237 . 1
88 10 10 ILE CG1 C 29.438 . 2
89 10 10 ILE CG2 C 17.023 . 2
90 10 10 ILE N N 123.409 . 1
91 11 11 GLY H H 9.595 . 1
92 11 11 GLY HA2 H 4.289 . 2
93 11 11 GLY HA3 H 3.406 . 2
94 11 11 GLY C C 173.697 . 1
95 11 11 GLY CA C 44.790 . 1
96 11 11 GLY N N 114.638 . 1
97 12 12 GLU H H 7.725 . 1
98 12 12 GLU HA H 4.716 . 1
99 12 12 GLU HB2 H 2.035 . 2
100 12 12 GLU HB3 H 2.139 . 2
101 12 12 GLU HG2 H 3.715 . 2
102 12 12 GLU HG3 H 3.832 . 2
103 12 12 GLU C C 181.095 . 1
104 12 12 GLU CA C 53.941 . 1
105 12 12 GLU CB C 29.952 . 1
106 12 12 GLU CG C 50.278 . 1
107 12 12 GLU N N 121.010 . 1
108 13 13 PRO HA H 4.695 . 1
109 13 13 PRO HB2 H 2.352 . 2
110 13 13 PRO HB3 H 1.784 . 2
111 13 13 PRO HG2 H 2.061 . 2
112 13 13 PRO C C 176.798 . 1
113 13 13 PRO CA C 62.001 . 1
114 13 13 PRO CB C 32.939 . 1
115 13 13 PRO CD C 50.291 . 1
116 13 13 PRO CG C 26.840 . 1
117 14 14 LEU H H 8.622 . 1
118 14 14 LEU HA H 4.527 . 1
119 14 14 LEU HB2 H 1.414 . 2
120 14 14 LEU HB3 H 1.142 . 2
121 14 14 LEU HD1 H 0.442 . 4
122 14 14 LEU HD2 H 0.751 . 4
123 14 14 LEU HG H 1.029 . 1
124 14 14 LEU C C 173.410 . 1
125 14 14 LEU CA C 54.216 . 1
126 14 14 LEU CB C 47.317 . 1
127 14 14 LEU CD1 C 25.995 . 1
128 14 14 LEU CD2 C 25.995 . 1
129 14 14 LEU CG C 27.334 . 1
130 14 14 LEU N N 122.157 . 1
131 15 15 VAL H H 8.159 . 1
132 15 15 VAL HA H 4.965 . 1
133 15 15 VAL HB H 1.844 . 1
134 15 15 VAL HG1 H 0.762 . 4
135 15 15 VAL HG2 H 0.915 . 2
136 15 15 VAL C C 175.411 . 1
137 15 15 VAL CA C 60.739 . 1
138 15 15 VAL CB C 33.515 . 1
139 15 15 VAL CG1 C 21.688 . 2
140 15 15 VAL CG2 C 21.793 . 1
141 15 15 VAL N N 125.012 . 1
142 16 16 LEU H H 8.966 . 1
143 16 16 LEU HA H 4.478 . 1
144 16 16 LEU HB2 H 0.723 . 2
145 16 16 LEU HB3 H 1.264 . 2
146 16 16 LEU HD1 H -0.061 . 4
147 16 16 LEU HD2 H 0.064 . 2
148 16 16 LEU HG H 1.141 . 1
149 16 16 LEU C C 175.620 . 1
150 16 16 LEU CA C 52.258 . 1
151 16 16 LEU CB C 44.657 . 1
152 16 16 LEU CD1 C 25.418 . 1
153 16 16 LEU CD2 C 22.673 . 1
154 16 16 LEU CG C 25.255 . 1
155 16 16 LEU N N 127.115 . 1
156 17 17 LYS H H 8.479 . 1
157 17 17 LYS HA H 4.442 . 1
158 17 17 LYS HB2 H 1.733 . 2
159 17 17 LYS HB3 H 1.691 . 2
160 17 17 LYS HD2 H 1.502 . 2
161 17 17 LYS HD3 H 1.439 . 2
162 17 17 LYS HE2 H 3.019 . 2
163 17 17 LYS HE3 H 3.019 . 2
164 17 17 LYS HG2 H 1.705 . 2
165 17 17 LYS HG3 H 1.705 . 2
166 17 17 LYS C C 177.823 . 1
167 17 17 LYS CA C 56.728 . 1
168 17 17 LYS CB C 33.609 . 1
169 17 17 LYS CD C 24.960 . 1
170 17 17 LYS CE C 41.966 . 1
171 17 17 LYS CG C 29.032 . 1
172 17 17 LYS N N 122.051 . 1
173 18 18 CYS H H 9.035 . 1
174 18 18 CYS HA H 4.702 . 1
175 18 18 CYS HB2 H 2.784 . 2
176 18 18 CYS HB3 H 2.945 . 2
177 18 18 CYS C C 173.713 . 1
178 18 18 CYS CA C 56.461 . 1
179 18 18 CYS CB C 44.031 . 1
180 18 18 CYS N N 127.106 . 1
181 19 19 LYS H H 7.764 . 1
182 19 19 LYS HA H 3.876 . 1
183 19 19 LYS HB2 H 1.658 . 2
184 19 19 LYS HB3 H 1.596 . 2
185 19 19 LYS HD2 H 1.735 . 2
186 19 19 LYS HE2 H 3.081 . 2
187 19 19 LYS HG2 H 1.486 . 2
188 19 19 LYS HG3 H 1.384 . 2
189 19 19 LYS C C 176.753 . 1
190 19 19 LYS CA C 58.522 . 1
191 19 19 LYS CB C 31.967 . 1
192 19 19 LYS CD C 29.104 . 1
193 19 19 LYS CE C 41.966 . 1
194 19 19 LYS CG C 25.460 . 1
195 19 19 LYS N N 126.757 . 1
196 20 20 GLY H H 8.718 . 1
197 20 20 GLY HA2 H 3.964 . 2
198 20 20 GLY HA3 H 3.608 . 2
199 20 20 GLY C C 174.029 . 1
200 20 20 GLY CA C 44.901 . 1
201 20 20 GLY N N 109.882 . 1
202 21 21 ALA H H 7.490 . 1
203 21 21 ALA HA H 4.331 . 1
204 21 21 ALA HB H 1.230 . 1
205 21 21 ALA C C 175.765 . 1
206 21 21 ALA CA C 49.871 . 1
207 21 21 ALA CB C 17.899 . 1
208 21 21 ALA N N 122.559 . 1
209 22 22 PRO HA H 4.571 . 1
210 22 22 PRO HB2 H 2.544 . 2
211 22 22 PRO HB3 H 2.111 . 2
212 22 22 PRO HG2 H 2.118 . 2
213 22 22 PRO HG3 H 2.322 . 2
214 22 22 PRO C C 176.223 . 1
215 22 22 PRO CA C 63.010 . 1
216 22 22 PRO CB C 32.739 . 1
217 22 22 PRO CD C 51.005 . 1
218 22 22 PRO CG C 27.749 . 1
219 23 23 LYS H H 8.678 . 1
220 23 23 LYS HA H 4.156 . 1
221 23 23 LYS HB2 H 1.914 . 2
222 23 23 LYS HB3 H 1.811 . 2
223 23 23 LYS HD2 H 1.502 . 2
224 23 23 LYS HE2 H 3.050 . 2
225 23 23 LYS HG2 H 1.428 . 2
226 23 23 LYS C C 175.740 . 1
227 23 23 LYS CA C 58.048 . 1
228 23 23 LYS CB C 33.223 . 1
229 23 23 LYS CD C 29.113 . 1
230 23 23 LYS CE C 42.041 . 1
231 23 23 LYS CG C 25.346 . 1
232 23 23 LYS N N 119.568 . 1
233 24 24 LYS H H 7.539 . 1
234 24 24 LYS HA H 4.682 . 1
235 24 24 LYS HB2 H 1.721 . 2
236 24 24 LYS HB3 H 1.683 . 2
237 24 24 LYS HD2 H 1.721 . 2
238 24 24 LYS HE2 H 3.003 . 2
239 24 24 LYS HG2 H 1.384 . 2
240 24 24 LYS C C 172.947 . 1
241 24 24 LYS CA C 53.058 . 1
242 24 24 LYS CB C 33.756 . 1
243 24 24 LYS CD C 29.104 . 1
244 24 24 LYS CE C 41.966 . 1
245 24 24 LYS CG C 24.602 . 1
246 24 24 LYS N N 116.683 . 1
247 27 27 GLN HA H 4.469 . 1
248 27 27 GLN HB2 H 1.837 . 2
249 27 27 GLN HG2 H 2.208 . 2
250 27 27 GLN HG3 H 2.204 . 2
251 27 27 GLN C C 175.124 . 1
252 27 27 GLN CA C 55.097 . 1
253 27 27 GLN CB C 30.597 . 1
254 27 27 GLN CG C 32.767 . 1
255 28 28 ARG H H 9.197 . 1
256 28 28 ARG HA H 4.563 . 1
257 28 28 ARG HB2 H 1.852 . 2
258 28 28 ARG HD2 H 3.194 . 2
259 28 28 ARG HG2 H 1.623 . 2
260 28 28 ARG C C 173.616 . 1
261 28 28 ARG CA C 55.293 . 1
262 28 28 ARG CB C 29.528 . 1
263 28 28 ARG CD C 43.697 . 1
264 28 28 ARG CG C 26.733 . 1
265 28 28 ARG N N 125.847 . 1
266 29 29 LEU H H 7.840 . 1
267 29 29 LEU HA H 5.293 . 1
268 29 29 LEU HB2 H 1.592 . 2
269 29 29 LEU HD1 H 0.894 . 4
270 29 29 LEU HG H 0.924 . 1
271 29 29 LEU C C 174.822 . 1
272 29 29 LEU CA C 53.982 . 1
273 29 29 LEU CB C 45.004 . 1
274 29 29 LEU CD1 C 25.846 . 2
275 29 29 LEU CD2 C 25.846 . 2
276 29 29 LEU CG C 28.682 . 1
277 29 29 LEU N N 121.526 . 1
278 30 30 GLU H H 8.436 . 1
279 30 30 GLU HA H 4.751 . 1
280 30 30 GLU HB2 H 1.954 . 2
281 30 30 GLU HG2 H 2.009 . 2
282 30 30 GLU C C 174.548 . 1
283 30 30 GLU CA C 55.984 . 1
284 30 30 GLU CB C 34.237 . 1
285 30 30 GLU CG C 37.577 . 1
286 30 30 GLU N N 120.707 . 1
287 31 31 TRP H H 9.247 . 1
288 31 31 TRP HA H 5.531 . 1
289 31 31 TRP HB2 H 3.014 . 2
290 31 31 TRP HD1 H 6.896 . 1
291 31 31 TRP HE1 H 10.632 . 3
292 31 31 TRP HE3 H 7.575 . 2
293 31 31 TRP C C 175.196 . 1
294 31 31 TRP CA C 56.719 . 1
295 31 31 TRP CB C 32.520 . 1
296 31 31 TRP CD1 C 126.313 . 2
297 31 31 TRP CE3 C 121.040 . 2
298 31 31 TRP CG C 112.628 . 1
299 31 31 TRP N N 126.257 . 1
300 32 32 LYS H H 9.815 . 1
301 32 32 LYS HA H 5.595 . 1
302 32 32 LYS HB2 H 1.670 . 2
303 32 32 LYS HB3 H 1.853 . 2
304 32 32 LYS HD2 H 1.267 . 2
305 32 32 LYS HD3 H 1.423 . 2
306 32 32 LYS HG2 H 0.954 . 2
307 32 32 LYS C C 174.650 . 1
308 32 32 LYS CA C 54.939 . 1
309 32 32 LYS CB C 36.918 . 1
310 32 32 LYS CD C 29.604 . 1
311 32 32 LYS CE C 44.324 . 1
312 32 32 LYS CG C 25.174 . 1
313 32 32 LYS N N 120.109 . 1
314 33 33 LEU H H 9.317 . 1
315 33 33 LEU HA H 5.301 . 1
316 33 33 LEU HB2 H 1.097 . 2
317 33 33 LEU HB3 H 1.397 . 2
318 33 33 LEU HD2 H 0.715 . 2
319 33 33 LEU HG H 0.733 . 1
320 33 33 LEU C C 174.838 . 1
321 33 33 LEU CA C 54.278 . 1
322 33 33 LEU CB C 44.943 . 1
323 33 33 LEU CG C 25.418 . 1
324 33 33 LEU N N 122.239 . 1
325 34 34 ASN H H 8.370 . 1
326 34 34 ASN CA C 52.255 . 1
327 34 34 ASN N N 119.691 . 1
328 35 35 THR HA H 5.137 . 1
329 35 35 THR HB H 4.545 . 1
330 35 35 THR HG2 H 0.559 . 1
331 35 35 THR C C 175.688 . 1
332 35 35 THR CA C 59.029 . 1
333 35 35 THR CB C 72.604 . 1
334 35 35 THR CG2 C 22.682 . 1
335 36 36 GLY H H 8.119 . 1
336 36 36 GLY HA2 H 4.054 . 2
337 36 36 GLY HA3 H 4.093 . 2
338 36 36 GLY C C 175.396 . 1
339 36 36 GLY CA C 47.446 . 1
340 36 36 GLY N N 109.301 . 1
341 37 37 ARG H H 8.219 . 1
342 37 37 ARG HB2 H 1.592 . 2
343 37 37 ARG HB3 H 1.814 . 2
344 37 37 ARG CA C 57.082 . 1
345 37 37 ARG CB C 32.380 . 1
346 37 37 ARG N N 117.935 . 1
347 38 38 THR HA H 4.556 . 1
348 38 38 THR HB H 4.310 . 1
349 38 38 THR HG2 H 1.006 . 1
350 38 38 THR CA C 61.154 . 1
351 38 38 THR CB C 70.217 . 1
352 38 38 THR CG2 C 21.793 . 1
353 39 39 GLU HA H 4.153 . 1
354 39 39 GLU HB2 H 2.110 . 2
355 39 39 GLU HB3 H 1.983 . 2
356 39 39 GLU C C 175.252 . 1
357 39 39 GLU CA C 57.356 . 1
358 39 39 GLU CB C 29.157 . 1
359 39 39 GLU CG C 36.584 . 1
360 40 40 ALA H H 7.892 . 1
361 40 40 ALA HA H 4.083 . 1
362 40 40 ALA HB H 1.487 . 1
363 40 40 ALA C C 176.636 . 1
364 40 40 ALA CA C 51.729 . 1
365 40 40 ALA CB C 19.620 . 1
366 40 40 ALA N N 122.452 . 1
367 41 41 TRP H H 7.984 . 1
368 41 41 TRP HA H 4.160 . 1
369 41 41 TRP HB2 H 2.882 . 2
370 41 41 TRP HB3 H 3.142 . 2
371 41 41 TRP HD1 H 7.401 . 1
372 41 41 TRP C C 176.800 . 1
373 41 41 TRP CA C 58.270 . 1
374 41 41 TRP CB C 29.459 . 1
375 41 41 TRP CD1 C 127.908 . 2
376 41 41 TRP CG C 112.049 . 1
377 41 41 TRP N N 119.380 . 1
378 42 42 LYS H H 9.364 . 1
379 42 42 LYS HA H 4.821 . 1
380 42 42 LYS HB2 H 1.803 . 2
381 42 42 LYS HD2 H 0.290 . 2
382 42 42 LYS HE2 H 3.141 . 2
383 42 42 LYS C C 174.656 . 1
384 42 42 LYS CA C 54.047 . 1
385 42 42 LYS CB C 33.024 . 1
386 42 42 LYS CD C 27.746 . 1
387 42 42 LYS CE C 43.340 . 1
388 42 42 LYS N N 125.847 . 1
389 43 43 VAL H H 9.242 . 1
390 43 43 VAL HA H 5.226 . 1
391 43 43 VAL HB H 1.892 . 1
392 43 43 VAL HG1 H 0.658 . 4
393 43 43 VAL HG2 H 0.746 . 2
394 43 43 VAL C C 175.814 . 1
395 43 43 VAL CA C 60.236 . 1
396 43 43 VAL CB C 33.709 . 1
397 43 43 VAL CG1 C 21.793 . 1
398 43 43 VAL CG2 C 20.757 . 1
399 43 43 VAL N N 120.183 . 1
400 44 44 LEU HA H 4.686 . 1
401 44 44 LEU HB2 H 1.565 . 2
402 44 44 LEU HD1 H 0.659 . 4
403 44 44 LEU HD2 H 0.694 . 2
404 44 44 LEU C C 175.872 . 1
405 44 44 LEU CA C 54.042 . 1
406 44 44 LEU CB C 43.722 . 1
407 44 44 LEU CD1 C 23.592 . 2
408 44 44 LEU CD2 C 23.864 . 1
409 44 44 LEU CG C 26.582 . 1
410 45 45 SER H H 8.796 . 1
411 45 45 SER HA H 5.167 . 1
412 45 45 SER HB2 H 3.989 . 2
413 45 45 SER HB3 H 4.158 . 2
414 45 45 SER C C 173.842 . 1
415 45 45 SER CA C 55.809 . 1
416 45 45 SER CB C 64.408 . 1
417 45 45 SER N N 118.434 . 1
418 46 46 PRO HA H 4.400 . 1
419 46 46 PRO HB2 H 2.481 . 2
420 46 46 PRO HB3 H 2.117 . 2
421 46 46 PRO HD2 H 3.559 . 2
422 46 46 PRO HG2 H 2.100 . 2
423 46 46 PRO HG3 H 2.270 . 2
424 46 46 PRO C C 177.017 . 1
425 46 46 PRO CA C 64.608 . 1
426 46 46 PRO CB C 32.134 . 1
427 46 46 PRO CG C 27.892 . 1
428 47 47 GLN H H 8.296 . 1
429 47 47 GLN HA H 4.379 . 1
430 47 47 GLN HB2 H 2.197 . 2
431 47 47 GLN HB3 H 2.066 . 2
432 47 47 GLN HG2 H 2.421 . 2
433 47 47 GLN HG3 H 2.421 . 2
434 47 47 GLN C C 176.669 . 1
435 47 47 GLN CA C 56.656 . 1
436 47 47 GLN CB C 28.733 . 1
437 47 47 GLN CG C 33.978 . 1
438 47 47 GLN N N 116.993 . 1
439 48 48 GLY H H 8.119 . 1
440 48 48 GLY HA2 H 4.158 . 2
441 48 48 GLY C C 174.574 . 1
442 48 48 GLY CA C 45.592 . 1
443 48 48 GLY N N 109.026 . 1
444 49 49 GLY H H 9.155 . 1
445 49 49 GLY HA2 H 4.246 . 2
446 49 49 GLY HA3 H 3.984 . 2
447 49 49 GLY C C 174.933 . 1
448 49 49 GLY CA C 45.110 . 1
449 49 49 GLY N N 110.932 . 1
450 50 50 GLY H H 8.514 . 1
451 50 50 GLY HA2 H 4.225 . 2
452 50 50 GLY HA3 H 4.069 . 2
453 50 50 GLY C C 173.437 . 1
454 50 50 GLY CA C 44.998 . 1
455 50 50 GLY N N 109.916 . 1
456 51 51 PRO HA H 4.365 . 1
457 51 51 PRO C C 178.414 . 1
458 51 51 PRO CA C 64.324 . 1
459 51 51 PRO CB C 32.178 . 1
460 52 52 TRP H H 8.571 . 1
461 52 52 TRP HA H 4.360 . 1
462 52 52 TRP HB2 H 3.494 . 2
463 52 52 TRP HB3 H 3.273 . 2
464 52 52 TRP HD1 H 7.361 . 1
465 52 52 TRP HE3 H 7.414 . 2
466 52 52 TRP HH2 H 7.010 . 1
467 52 52 TRP HZ2 H 7.512 . 2
468 52 52 TRP HZ3 H 6.787 . 2
469 52 52 TRP C C 176.907 . 1
470 52 52 TRP CA C 59.360 . 1
471 52 52 TRP CB C 28.059 . 1
472 52 52 TRP CD1 C 126.477 . 2
473 52 52 TRP CE3 C 120.464 . 2
474 52 52 TRP CG C 113.855 . 1
475 52 52 TRP CH2 C 125.400 . 1
476 52 52 TRP CZ2 C 116.238 . 2
477 52 52 TRP CZ3 C 121.592 . 2
478 52 52 TRP N N 118.336 . 1
479 53 53 ASP H H 7.943 . 1
480 53 53 ASP HA H 4.404 . 1
481 53 53 ASP HB2 H 2.790 . 2
482 53 53 ASP HB3 H 2.660 . 2
483 53 53 ASP C C 176.480 . 1
484 53 53 ASP CA C 57.046 . 1
485 53 53 ASP CB C 40.621 . 1
486 53 53 ASP N N 120.404 . 1
487 54 54 SER H H 7.746 . 1
488 54 54 SER HA H 4.236 . 1
489 54 54 SER HB2 H 3.868 . 2
490 54 54 SER HB3 H 3.848 . 2
491 54 54 SER C C 173.902 . 1
492 54 54 SER CA C 59.304 . 1
493 54 54 SER CB C 63.745 . 1
494 54 54 SER N N 111.200 . 1
495 55 55 VAL H H 7.817 . 1
496 55 55 VAL HA H 3.978 . 1
497 55 55 VAL HB H 1.924 . 1
498 55 55 VAL HG1 H 0.615 . 4
499 55 55 VAL HG2 H 0.626 . 2
500 55 55 VAL C C 174.779 . 1
501 55 55 VAL CA C 63.282 . 1
502 55 55 VAL CB C 33.858 . 1
503 55 55 VAL CG1 C 20.221 . 2
504 55 55 VAL CG2 C 20.214 . 2
505 55 55 VAL N N 119.896 . 1
506 56 56 ALA H H 8.296 . 1
507 56 56 ALA HA H 4.986 . 1
508 56 56 ALA HB H 1.178 . 1
509 56 56 ALA C C 174.188 . 1
510 56 56 ALA CA C 51.681 . 1
511 56 56 ALA CB C 20.705 . 1
512 56 56 ALA N N 120.896 . 1
513 57 57 ARG H H 8.988 . 1
514 57 57 ARG HA H 4.727 . 1
515 57 57 ARG HB2 H 1.868 . 2
516 57 57 ARG HB3 H 1.814 . 2
517 57 57 ARG HD2 H 3.162 . 2
518 57 57 ARG HD3 H 3.158 . 2
519 57 57 ARG HG2 H 1.614 . 2
520 57 57 ARG HG3 H 1.609 . 2
521 57 57 ARG C C 173.977 . 1
522 57 57 ARG CA C 54.001 . 1
523 57 57 ARG CB C 34.221 . 1
524 57 57 ARG CD C 43.795 . 1
525 57 57 ARG CG C 26.907 . 1
526 57 57 ARG N N 119.060 . 1
527 58 58 VAL H H 8.699 . 1
528 58 58 VAL HA H 4.354 . 1
529 58 58 VAL HB H 1.923 . 1
530 58 58 VAL HG1 H 1.137 . 2
531 58 58 VAL HG2 H 0.876 . 2
532 58 58 VAL C C 176.794 . 1
533 58 58 VAL CA C 62.287 . 1
534 58 58 VAL CB C 31.908 . 1
535 58 58 VAL CG1 C 21.967 . 2
536 58 58 VAL CG2 C 22.829 . 1
537 58 58 VAL N N 124.094 . 1
538 59 59 LEU H H 9.387 . 1
539 59 59 LEU HA H 4.537 . 1
540 59 59 LEU HB2 H 1.527 . 2
541 59 59 LEU HB3 H 1.931 . 2
542 59 59 LEU C C 177.428 . 1
543 59 59 LEU CA C 54.001 . 1
544 59 59 LEU CB C 39.512 . 1
545 59 59 LEU N N 129.545 . 1
546 60 60 PRO HA H 4.385 . 1
547 60 60 PRO HB2 H 2.406 . 2
548 60 60 PRO C C 176.092 . 1
549 60 60 PRO CA C 65.602 . 1
550 60 60 PRO CB C 31.753 . 1
551 60 60 PRO CG C 27.702 . 1
552 61 61 ASN H H 7.368 . 1
553 61 61 ASN HA H 4.609 . 1
554 61 61 ASN HB2 H 3.203 . 2
555 61 61 ASN HB3 H 2.787 . 2
556 61 61 ASN C C 176.412 . 1
557 61 61 ASN CA C 52.012 . 1
558 61 61 ASN CB C 37.201 . 1
559 61 61 ASN N N 110.173 . 1
560 62 62 GLY H H 8.619 . 1
561 62 62 GLY HA2 H 4.104 . 2
562 62 62 GLY HA3 H 3.480 . 2
563 62 62 GLY C C 172.855 . 1
564 62 62 GLY CA C 45.715 . 1
565 62 62 GLY N N 109.088 . 1
566 63 63 SER H H 7.862 . 1
567 63 63 SER HA H 4.825 . 1
568 63 63 SER HB2 H 3.718 . 2
569 63 63 SER C C 171.059 . 1
570 63 63 SER CA C 59.304 . 1
571 63 63 SER CB C 63.697 . 1
572 63 63 SER N N 115.459 . 1
573 64 64 LEU H H 8.871 . 1
574 64 64 LEU HA H 4.313 . 1
575 64 64 LEU HB2 H 0.462 . 2
576 64 64 LEU HB3 H -1.077 . 2
577 64 64 LEU HD1 H 0.215 . 4
578 64 64 LEU HD2 H 0.126 . 2
579 64 64 LEU HG H 0.314 . 1
580 64 64 LEU C C 174.163 . 1
581 64 64 LEU CA C 53.670 . 1
582 64 64 LEU CB C 42.005 . 1
583 64 64 LEU CD1 C 23.733 . 2
584 64 64 LEU CD2 C 23.733 . 2
585 64 64 LEU CG C 26.970 . 1
586 64 64 LEU N N 123.996 . 1
587 65 65 PHE H H 9.085 . 1
588 65 65 PHE HA H 5.345 . 1
589 65 65 PHE HB2 H 2.895 . 2
590 65 65 PHE HB3 H 2.738 . 2
591 65 65 PHE C C 173.222 . 1
592 65 65 PHE CA C 54.333 . 1
593 65 65 PHE CB C 42.577 . 1
594 65 65 PHE N N 126.569 . 1
595 66 66 LEU H H 8.845 . 1
596 66 66 LEU HA H 5.331 . 1
597 66 66 LEU HB2 H 1.332 . 2
598 66 66 LEU HB3 H 1.397 . 2
599 66 66 LEU HD1 H 0.486 . 2
600 66 66 LEU HD2 H 0.783 . 2
601 66 66 LEU HG H 1.658 . 1
602 66 66 LEU CA C 52.012 . 1
603 66 66 LEU CB C 42.028 . 1
604 66 66 LEU CD1 C 24.602 . 1
605 66 66 LEU CD2 C 25.960 . 1
606 66 66 LEU CG C 29.032 . 1
607 66 66 LEU N N 130.274 . 1
608 67 67 PRO HA H 3.424 . 1
609 67 67 PRO HB2 H 3.107 . 2
610 67 67 PRO HB3 H 2.070 . 2
611 67 67 PRO HD2 H 3.362 . 2
612 67 67 PRO HD3 H 3.126 . 2
613 67 67 PRO HG2 H 1.371 . 2
614 67 67 PRO HG3 H 1.744 . 2
615 67 67 PRO C C 176.481 . 1
616 67 67 PRO CA C 63.945 . 1
617 67 67 PRO CB C 32.213 . 1
618 67 67 PRO CD C 50.397 . 1
619 67 67 PRO CG C 26.905 . 1
620 68 68 ALA H H 7.481 . 1
621 68 68 ALA HA H 3.613 . 1
622 68 68 ALA HB H 1.009 . 1
623 68 68 ALA C C 175.133 . 1
624 68 68 ALA CA C 51.681 . 1
625 68 68 ALA CB C 18.954 . 1
626 68 68 ALA N N 116.280 . 1
627 69 69 VAL H H 8.148 . 1
628 69 69 VAL HA H 3.707 . 1
629 69 69 VAL HB H 1.984 . 1
630 69 69 VAL HG1 H 0.760 . 4
631 69 69 VAL HG2 H 0.892 . 2
632 69 69 VAL C C 176.226 . 1
633 69 69 VAL CA C 64.276 . 1
634 69 69 VAL CB C 31.904 . 1
635 69 69 VAL CG1 C 23.510 . 2
636 69 69 VAL CG2 C 22.908 . 2
637 69 69 VAL N N 125.462 . 1
638 70 70 GLY H H 9.965 . 1
639 70 70 GLY HA2 H 4.675 . 2
640 70 70 GLY HA3 H 3.736 . 2
641 70 70 GLY C C 174.356 . 1
642 70 70 GLY CA C 43.542 . 1
643 70 70 GLY N N 117.214 . 1
644 71 71 ILE H H 8.693 . 1
645 71 71 ILE HA H 3.841 . 1
646 71 71 ILE HB H 1.810 . 1
647 71 71 ILE HD1 H 0.885 . 1
648 71 71 ILE HG12 H 1.267 . 1
649 71 71 ILE HG13 H 1.449 . 1
650 71 71 ILE HG2 H 1.346 . 2
651 71 71 ILE C C 177.874 . 1
652 71 71 ILE CA C 63.945 . 1
653 71 71 ILE CB C 38.418 . 1
654 71 71 ILE CD1 C 13.912 . 1
655 71 71 ILE CG1 C 28.529 . 2
656 71 71 ILE CG2 C 17.875 . 2
657 71 71 ILE N N 119.142 . 1
658 72 72 GLN H H 8.756 . 1
659 72 72 GLN HA H 4.266 . 1
660 72 72 GLN HB2 H 1.710 . 2
661 72 72 GLN HB3 H 1.944 . 2
662 72 72 GLN HG2 H 2.202 . 2
663 72 72 GLN HG3 H 2.064 . 2
664 72 72 GLN C C 175.122 . 1
665 72 72 GLN CA C 57.371 . 1
666 72 72 GLN CB C 28.523 . 1
667 72 72 GLN CG C 34.296 . 1
668 72 72 GLN N N 117.106 . 1
669 73 73 ASP H H 7.870 . 1
670 73 73 ASP HA H 4.721 . 1
671 73 73 ASP HB2 H 2.842 . 2
672 73 73 ASP HB3 H 2.739 . 2
673 73 73 ASP C C 173.131 . 1
674 73 73 ASP CA C 55.705 . 1
675 73 73 ASP CB C 41.949 . 1
676 73 73 ASP N N 116.673 . 1
677 74 74 GLU H H 6.733 . 1
678 74 74 GLU HA H 4.081 . 1
679 74 74 GLU HB2 H 2.208 . 2
680 74 74 GLU HB3 H 2.001 . 2
681 74 74 GLU HG2 H 2.890 . 2
682 74 74 GLU HG3 H 2.890 . 2
683 74 74 GLU C C 177.451 . 1
684 74 74 GLU CA C 57.650 . 1
685 74 74 GLU CB C 30.544 . 1
686 74 74 GLU CG C 37.363 . 1
687 74 74 GLU N N 113.295 . 1
688 75 75 GLY H H 8.270 . 1
689 75 75 GLY HA2 H 4.713 . 2
690 75 75 GLY HA3 H 3.888 . 2
691 75 75 GLY C C 171.232 . 1
692 75 75 GLY CA C 45.044 . 1
693 75 75 GLY N N 110.833 . 1
694 76 76 ILE H H 7.954 . 1
695 76 76 ILE HA H 5.326 . 1
696 76 76 ILE HB H 1.695 . 1
697 76 76 ILE HD1 H 0.955 . 1
698 76 76 ILE HG12 H 1.299 . 1
699 76 76 ILE HG2 H 1.268 . 2
700 76 76 ILE C C 173.990 . 1
701 76 76 ILE CA C 59.250 . 1
702 76 76 ILE CB C 40.324 . 1
703 76 76 ILE CD1 C 12.808 . 1
704 76 76 ILE CG1 C 26.980 . 2
705 76 76 ILE CG2 C 18.812 . 2
706 76 76 ILE N N 121.117 . 1
707 77 77 PHE H H 9.261 . 1
708 77 77 PHE HA H 5.355 . 1
709 77 77 PHE HB2 H 3.051 . 2
710 77 77 PHE HB3 H 3.248 . 2
711 77 77 PHE C C 175.005 . 1
712 77 77 PHE CA C 56.607 . 1
713 77 77 PHE CB C 43.758 . 1
714 77 77 PHE CG C 152.844 . 1
715 77 77 PHE N N 124.717 . 1
716 78 78 ARG H H 9.956 . 1
717 78 78 ARG HA H 5.719 . 1
718 78 78 ARG HB2 H 1.840 . 2
719 78 78 ARG HB3 H 1.988 . 2
720 78 78 ARG C C 174.600 . 1
721 78 78 ARG CA C 54.407 . 1
722 78 78 ARG CB C 35.283 . 1
723 78 78 ARG CD C 43.987 . 1
724 78 78 ARG N N 122.452 . 1
725 79 79 CYS H H 8.701 . 1
726 79 79 CYS HA H 5.144 . 1
727 79 79 CYS HB2 H 1.175 . 2
728 79 79 CYS C C 173.281 . 1
729 79 79 CYS CA C 52.748 . 1
730 79 79 CYS CB C 47.116 . 1
731 79 79 CYS N N 122.460 . 1
732 80 80 GLN H H 8.462 . 1
733 80 80 GLN HA H 4.873 . 1
734 80 80 GLN HB2 H 1.899 . 2
735 80 80 GLN HB3 H 1.931 . 2
736 80 80 GLN HG2 H 2.064 . 2
737 80 80 GLN HG3 H 2.064 . 2
738 80 80 GLN C C 173.544 . 1
739 80 80 GLN CA C 54.986 . 1
740 80 80 GLN CB C 31.620 . 1
741 80 80 GLN CG C 33.920 . 1
742 80 80 GLN N N 127.702 . 1
743 81 81 ALA H H 8.714 . 1
744 81 81 ALA HA H 5.078 . 1
745 81 81 ALA HB H 1.222 . 1
746 81 81 ALA C C 175.856 . 1
747 81 81 ALA CA C 50.710 . 1
748 81 81 ALA CB C 22.726 . 1
749 81 81 ALA N N 127.292 . 1
750 82 82 MET H H 8.120 . 1
751 82 82 MET HA H 5.005 . 1
752 82 82 MET HB2 H 1.986 . 2
753 82 82 MET HG2 H 2.435 . 2
754 82 82 MET HG3 H 2.435 . 2
755 82 82 MET C C 175.835 . 1
756 82 82 MET CA C 54.484 . 1
757 82 82 MET CB C 34.428 . 1
758 82 82 MET CE C 21.778 . 1
759 82 82 MET CG C 32.011 . 1
760 82 82 MET N N 119.788 . 1
761 83 83 ASN H H 8.467 . 1
762 83 83 ASN HA H 4.872 . 1
763 83 83 ASN HB2 H 2.999 . 2
764 83 83 ASN HB3 H 3.416 . 2
765 83 83 ASN C C 177.241 . 1
766 83 83 ASN CA C 51.537 . 1
767 83 83 ASN CB C 39.660 . 1
768 83 83 ASN N N 122.960 . 1
769 84 84 ARG HA H 4.162 . 1
770 84 84 ARG HB2 H 1.918 . 2
771 84 84 ARG HD2 H 3.238 . 2
772 84 84 ARG HD3 H 3.234 . 2
773 84 84 ARG HG2 H 1.614 . 2
774 84 84 ARG HG3 H 1.609 . 2
775 84 84 ARG C C 176.607 . 1
776 84 84 ARG CA C 58.725 . 1
777 84 84 ARG CB C 29.675 . 1
778 84 84 ARG CD C 43.175 . 1
779 84 84 ARG CG C 26.988 . 1
780 85 85 ASN H H 7.992 . 1
781 85 85 ASN HA H 4.822 . 1
782 85 85 ASN HB2 H 2.948 . 2
783 85 85 ASN HB3 H 2.737 . 2
784 85 85 ASN C C 175.538 . 1
785 85 85 ASN CA C 53.110 . 1
786 85 85 ASN CB C 38.800 . 1
787 85 85 ASN N N 115.911 . 1
788 86 86 GLY H H 8.089 . 1
789 86 86 GLY HA2 H 4.161 . 2
790 86 86 GLY HA3 H 3.746 . 2
791 86 86 GLY C C 173.487 . 1
792 86 86 GLY CA C 45.675 . 1
793 86 86 GLY N N 107.876 . 1
794 87 87 LYS H H 7.847 . 1
795 87 87 LYS HA H 4.460 . 1
796 87 87 LYS HB2 H 1.697 . 2
797 87 87 LYS HD2 H 1.643 . 2
798 87 87 LYS HE2 H 2.969 . 2
799 87 87 LYS HE3 H 2.969 . 2
800 87 87 LYS HG2 H 1.304 . 2
801 87 87 LYS HG3 H 1.299 . 2
802 87 87 LYS C C 175.893 . 1
803 87 87 LYS CA C 55.080 . 1
804 87 87 LYS CB C 33.612 . 1
805 87 87 LYS CD C 28.918 . 1
806 87 87 LYS CE C 40.287 . 1
807 87 87 LYS CG C 24.956 . 1
808 87 87 LYS N N 120.814 . 1
809 88 88 GLU H H 8.806 . 1
810 88 88 GLU HA H 5.035 . 1
811 88 88 GLU HB2 H 1.910 . 2
812 88 88 GLU HG2 H 1.957 . 2
813 88 88 GLU HG3 H 2.139 . 2
814 88 88 GLU C C 176.474 . 1
815 88 88 GLU CA C 55.612 . 1
816 88 88 GLU CB C 32.099 . 1
817 88 88 GLU CG C 37.097 . 1
818 88 88 GLU N N 126.371 . 1
819 89 89 THR H H 9.088 . 1
820 89 89 THR HA H 4.496 . 1
821 89 89 THR HB H 3.910 . 1
822 89 89 THR HG2 H 0.976 . 1
823 89 89 THR C C 173.553 . 1
824 89 89 THR CA C 62.290 . 1
825 89 89 THR CB C 70.374 . 1
826 89 89 THR CG2 C 21.958 . 1
827 89 89 THR N N 121.535 . 1
828 90 90 LYS H H 8.893 . 1
829 90 90 LYS HB2 H 1.592 . 2
830 90 90 LYS HB3 H 1.657 . 2
831 90 90 LYS C C 176.074 . 1
832 90 90 LYS CA C 55.572 . 1
833 90 90 LYS CB C 35.029 . 1
834 90 90 LYS N N 127.560 . 1
835 91 91 SER HA H 4.640 . 1
836 91 91 SER HB2 H 3.813 . 2
837 91 91 SER HB3 H 3.619 . 2
838 91 91 SER CA C 57.528 . 1
839 91 91 SER CB C 65.815 . 1
840 92 92 ASN HA H 5.392 . 1
841 92 92 ASN HB2 H 2.682 . 2
842 92 92 ASN HB3 H 2.579 . 2
843 92 92 ASN C C 173.241 . 1
844 92 92 ASN CA C 52.604 . 1
845 92 92 ASN CB C 41.356 . 1
846 93 93 TYR H H 9.650 . 1
847 93 93 TYR HA H 5.592 . 1
848 93 93 TYR HB2 H 3.141 . 2
849 93 93 TYR HB3 H 2.935 . 2
850 93 93 TYR HD1 H 7.243 . 2
851 93 93 TYR HE1 H 7.124 . 2
852 93 93 TYR C C 174.497 . 1
853 93 93 TYR CA C 56.933 . 1
854 93 93 TYR CB C 41.838 . 1
855 93 93 TYR CD1 C 133.975 . 2
856 93 93 TYR CE1 C 118.146 . 2
857 93 93 TYR CG C 130.518 . 1
858 93 93 TYR N N 122.673 . 1
859 94 94 ARG H H 9.026 . 1
860 94 94 ARG HA H 5.269 . 1
861 94 94 ARG HB2 H 2.076 . 2
862 94 94 ARG HB3 H 1.622 . 2
863 94 94 ARG HD2 H 3.171 . 2
864 94 94 ARG HD3 H 3.168 . 2
865 94 94 ARG HG2 H 1.533 . 2
866 94 94 ARG C C 174.870 . 1
867 94 94 ARG CA C 54.910 . 1
868 94 94 ARG CB C 31.471 . 1
869 94 94 ARG CD C 43.148 . 1
870 94 94 ARG CG C 27.849 . 1
871 94 94 ARG N N 124.717 . 1
872 95 95 VAL H H 9.340 . 1
873 95 95 VAL HA H 4.780 . 1
874 95 95 VAL HB H 2.234 . 1
875 95 95 VAL HG1 H 0.595 . 2
876 95 95 VAL HG2 H 0.545 . 2
877 95 95 VAL C C 175.765 . 1
878 95 95 VAL CA C 62.212 . 1
879 95 95 VAL CB C 33.801 . 1
880 95 95 VAL CG1 C 22.856 . 2
881 95 95 VAL CG2 C 20.603 . 2
882 95 95 VAL N N 128.832 . 1
883 96 96 ARG H H 8.830 . 1
884 96 96 ARG HA H 4.813 . 1
885 96 96 ARG HB2 H 1.791 . 2
886 96 96 ARG HD2 H 3.162 . 2
887 96 96 ARG HD3 H 3.158 . 2
888 96 96 ARG HG2 H 1.670 . 2
889 96 96 ARG C C 174.668 . 1
890 96 96 ARG CA C 54.419 . 1
891 96 96 ARG CB C 33.088 . 1
892 96 96 ARG CD C 43.340 . 1
893 96 96 ARG CG C 27.935 . 1
894 96 96 ARG N N 128.627 . 1
895 97 97 VAL H H 9.296 . 1
896 97 97 VAL HA H 5.075 . 1
897 97 97 VAL HB H 1.897 . 1
898 97 97 VAL HG1 H 0.668 . 4
899 97 97 VAL HG2 H 0.758 . 2
900 97 97 VAL C C 175.779 . 1
901 97 97 VAL CA C 60.581 . 1
902 97 97 VAL CB C 33.600 . 1
903 97 97 VAL CG1 C 21.743 . 2
904 97 97 VAL CG2 C 20.567 . 2
905 97 97 VAL N N 120.601 . 1
906 98 98 TYR H H 8.529 . 1
907 98 98 TYR HA H 4.719 . 1
908 98 98 TYR HB2 H 2.924 . 2
909 98 98 TYR HB3 H 2.845 . 2
910 98 98 TYR HD1 H 6.989 . 2
911 98 98 TYR HE1 H 6.696 . 2
912 98 98 TYR C C 174.135 . 1
913 98 98 TYR CA C 56.938 . 1
914 98 98 TYR CB C 40.344 . 1
915 98 98 TYR CD1 C 133.188 . 2
916 98 98 TYR CE1 C 117.983 . 2
917 98 98 TYR CG C 129.928 . 1
918 98 98 TYR N N 123.979 . 1
919 99 99 GLN H H 8.452 . 1
920 99 99 GLN HA H 4.380 . 1
921 99 99 GLN HB2 H 1.983 . 2
922 99 99 GLN HB3 H 1.828 . 2
923 99 99 GLN HG2 H 2.218 . 2
924 99 99 GLN HG3 H 2.218 . 2
925 99 99 GLN C C 174.762 . 1
926 99 99 GLN CA C 54.957 . 1
927 99 99 GLN CB C 30.303 . 1
928 99 99 GLN CG C 33.635 . 1
929 99 99 GLN N N 122.249 . 1
930 100 100 ILE H H 8.158 . 1
931 100 100 ILE HA H 4.367 . 1
932 100 100 ILE HB H 1.893 . 1
933 100 100 ILE HD1 H 0.924 . 1
934 100 100 ILE HG12 H 1.565 . 1
935 100 100 ILE HG13 H 1.174 . 1
936 100 100 ILE HG2 H 1.033 . 2
937 100 100 ILE C C 173.863 . 1
938 100 100 ILE CA C 58.798 . 1
939 100 100 ILE CB C 38.581 . 1
940 100 100 ILE CD1 C 13.170 . 1
941 100 100 ILE CG1 C 27.103 . 2
942 100 100 ILE CG2 C 17.171 . 1
943 100 100 ILE N N 123.798 . 1
stop_
save_