data_6823
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Backbone and Sidechain chemical shift assignments of the Human Rhinovirus 3C Protease covalently complexed with a peptidyl inhibitor
;
_BMRB_accession_number 6823
_BMRB_flat_file_name bmr6823.str
_Entry_type original
_Submission_date 2005-09-12
_Accession_date 2005-09-13
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details 'HRV14-3C bound with an Ace-LEALFQ-ethylpropeonate inhibitor'
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Bjorndahl Trent C. .
2 Andrew Lena S. .
3 Wishart David S. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 2
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 1091
"13C chemical shifts" 802
"15N chemical shifts" 184
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2007-11-14 update BMRB 'complete entry citation'
2006-10-26 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'NMR Solution Structures of the Apo and Peptide-Inhibited Human Rhinovirus 3C Protease (Serotype 14): Structural and Dynamic Comparison'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 17944485
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Bjorndahl Trent C. .
2 Andrew Lena S. .
3 Semenchenko Valentyna . .
4 Wishart David S. .
stop_
_Journal_abbreviation Biochemistry
_Journal_volume 46
_Journal_issue 45
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 12945
_Page_last 12958
_Year 2007
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name HRV14-3C
_Enzyme_commission_number 3.4.22.28
loop_
_Mol_system_component_name
_Mol_label
HRV $HRV_protease_polypeptide
LEALFQ $LEALFQ
stop_
_System_molecular_weight 20813.67
_System_physical_state native
_System_oligomer_state 'protein-inhibitor complex'
_System_paramagnetic no
_System_thiol_state 'free and other bound'
loop_
_Biological_function
protease
stop_
_Database_query_date .
_Details 'Human rhinovirus serotype 14 3C protease complexed with Acetyl-LEALFQ-ethylpropeonate'
save_
########################
# Monomeric polymers #
########################
save_HRV_protease_polypeptide
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'HRV14-3C protease with Acetyl-LEALFQ-ethylpropeonate'
_Molecular_mass 20813.67
_Mol_thiol_state 'free and bound'
loop_
_Biological_function
protease
stop_
_Details 'Ace-LEALFQ-ethylpropeonate complexed to HRV14-3C at C146'
##############################
# Polymer residue sequence #
##############################
_Residue_count 182
_Mol_residue_sequence
;
GPNTEFALSLLRKNIMTITT
SKGEFTGLGIHDRVCVIPTH
AQPGDDVLVNGQKIRVKDKY
KLVDPENINLELTVLTLDRN
EKFRDIRGFISEDLEGVDAT
LVVHSNNFTNTILEVGPVTM
AGLINLSSTPTNRMIRYDYA
TKTGQCGGVLCATGKIFGIH
VGGNGRQGFSAQLKKQYFVE
KQ
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 PRO 3 ASN 4 THR 5 GLU
6 PHE 7 ALA 8 LEU 9 SER 10 LEU
11 LEU 12 ARG 13 LYS 14 ASN 15 ILE
16 MET 17 THR 18 ILE 19 THR 20 THR
21 SER 22 LYS 23 GLY 24 GLU 25 PHE
26 THR 27 GLY 28 LEU 29 GLY 30 ILE
31 HIS 32 ASP 33 ARG 34 VAL 35 CYS
36 VAL 37 ILE 38 PRO 39 THR 40 HIS
41 ALA 42 GLN 43 PRO 44 GLY 45 ASP
46 ASP 47 VAL 48 LEU 49 VAL 50 ASN
51 GLY 52 GLN 53 LYS 54 ILE 55 ARG
56 VAL 57 LYS 58 ASP 59 LYS 60 TYR
61 LYS 62 LEU 63 VAL 64 ASP 65 PRO
66 GLU 67 ASN 68 ILE 69 ASN 70 LEU
71 GLU 72 LEU 73 THR 74 VAL 75 LEU
76 THR 77 LEU 78 ASP 79 ARG 80 ASN
81 GLU 82 LYS 83 PHE 84 ARG 85 ASP
86 ILE 87 ARG 88 GLY 89 PHE 90 ILE
91 SER 92 GLU 93 ASP 94 LEU 95 GLU
96 GLY 97 VAL 98 ASP 99 ALA 100 THR
101 LEU 102 VAL 103 VAL 104 HIS 105 SER
106 ASN 107 ASN 108 PHE 109 THR 110 ASN
111 THR 112 ILE 113 LEU 114 GLU 115 VAL
116 GLY 117 PRO 118 VAL 119 THR 120 MET
121 ALA 122 GLY 123 LEU 124 ILE 125 ASN
126 LEU 127 SER 128 SER 129 THR 130 PRO
131 THR 132 ASN 133 ARG 134 MET 135 ILE
136 ARG 137 TYR 138 ASP 139 TYR 140 ALA
141 THR 142 LYS 143 THR 144 GLY 145 GLN
146 CYS 147 GLY 148 GLY 149 VAL 150 LEU
151 CYS 152 ALA 153 THR 154 GLY 155 LYS
156 ILE 157 PHE 158 GLY 159 ILE 160 HIS
161 VAL 162 GLY 163 GLY 164 ASN 165 GLY
166 ARG 167 GLN 168 GLY 169 PHE 170 SER
171 ALA 172 GLN 173 LEU 174 LYS 175 LYS
176 GLN 177 TYR 178 PHE 179 VAL 180 GLU
181 LYS 182 GLN
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
save_LEALFQ
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Acetyl-LEALFQ-ethylpropeonate
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
_Residue_count 8
_Mol_residue_sequence XLEALFQX
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 183 ACE 2 183 LEU 3 184 GLU 4 185 ALA 5 186 LEU
6 187 PHE 7 188 GLN 8 189 CA1
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
######################
# Polymer residues #
######################
save_chem_comp_ACE
_Saveframe_category polymer_residue
_Mol_type non-polymer
_Name_common 'ACETYL GROUP'
_BMRB_code .
_PDB_code ACE
_Standard_residue_derivative .
_Molecular_mass 44.053
_Mol_paramagnetic .
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Mon Aug 29 12:02:09 2011
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
C C C . 0 . ?
O O O . 0 . ?
CH3 CH3 C . 0 . ?
H H H . 0 . ?
H1 H1 H . 0 . ?
H2 H2 H . 0 . ?
H3 H3 H . 0 . ?
stop_
loop_
_Bond_order
_Bond_atom_one_atom_name
_Bond_atom_two_atom_name
_PDB_bond_atom_one_atom_name
_PDB_bond_atom_two_atom_name
DOUB C O ? ?
SING C CH3 ? ?
SING C H ? ?
SING CH3 H1 ? ?
SING CH3 H2 ? ?
SING CH3 H3 ? ?
stop_
save_
save_chem_comp_CA1
_Saveframe_category polymer_residue
_Mol_type non-polymer
_Name_common 'ETHYL PROPIONATE'
_BMRB_code .
_PDB_code CA1
_Standard_residue_derivative .
_Molecular_mass 102.132
_Mol_paramagnetic .
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Mon Aug 29 12:09:31 2011
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
CX5 CX5 C . 0 . ?
CX6 CX6 C . 0 . ?
CX7 CX7 C . 0 . ?
OX8 OX8 O . 0 . ?
OX9 OX9 O . 0 . ?
CJ1 CJ1 C . 0 . ?
CJ2 CJ2 C . 0 . ?
H1 H1 H . 0 . ?
HX51 HX51 H . 0 . ?
HX52 HX52 H . 0 . ?
H2 H2 H . 0 . ?
H3 H3 H . 0 . ?
H4 H4 H . 0 . ?
H5 H5 H . 0 . ?
H6 H6 H . 0 . ?
H7 H7 H . 0 . ?
H8 H8 H . 0 . ?
stop_
loop_
_Bond_order
_Bond_atom_one_atom_name
_Bond_atom_two_atom_name
_PDB_bond_atom_one_atom_name
_PDB_bond_atom_two_atom_name
SING CX5 CX6 ? ?
SING CX5 H1 ? ?
SING CX5 HX51 ? ?
SING CX5 HX52 ? ?
SING CX6 CX7 ? ?
SING CX6 H2 ? ?
SING CX6 H3 ? ?
DOUB CX7 OX8 ? ?
SING CX7 OX9 ? ?
SING OX9 CJ1 ? ?
SING CJ1 CJ2 ? ?
SING CJ1 H4 ? ?
SING CJ1 H5 ? ?
SING CJ2 H6 ? ?
SING CJ2 H7 ? ?
SING CJ2 H8 ? ?
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
$HRV_protease_polypeptide rhinovirus 12131 Viruses 'Not applicable' Rhinovirus 'Human Rhinovirus B' 14
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
$HRV_protease_polypeptide 'recombinant technology' 'E. coli' . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details HRV14-3C
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$HRV_protease_polypeptide 0.75 mM '[U-90%13C; U-90% 15N]'
$LEALFQ 0.75 mM .
stop_
save_
############################
# Computer software used #
############################
save_VNMR_6.1c
_Saveframe_category software
_Name VNMR
_Version 6.1c
loop_
_Vendor
_Address
_Electronic_address
Varian
;
3145 Hanover Street
Palo Alto, CA.
94304
USA
;
www.varianinc.com
stop_
loop_
_Task
'data collection'
stop_
_Details .
save_
save_software_1
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
NIH . .
stop_
loop_
_Task
'data processing'
stop_
_Details .
save_
save_NMRDraw
_Saveframe_category software
_Name NMRDraw
_Version 5.2.2
loop_
_Task
'data analysis'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_500MHz
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model Inova
_Field_strength 500
_Details
;
Oxford 500MHz unshielded magnet
Varian Inova Console
;
save_
#############################
# NMR applied experiments #
#############################
save_1N15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '1N15N HSQC'
_Sample_label $sample_1
save_
save_1N13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '1N13C HSQC'
_Sample_label $sample_1
save_
save_HNCA_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_Sample_label $sample_1
save_
save_HNCACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_Sample_label $sample_1
save_
save_CBCACONNH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCACONNH
_Sample_label $sample_1
save_
save_HBHACONNH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HBHACONNH
_Sample_label $sample_1
save_
save_CCH-TOCSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name CCH-TOCSY
_Sample_label $sample_1
save_
save_HCCH-TOCSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_Sample_label $sample_1
save_
save_HNCO_9
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_Sample_label $sample_1
save_
save_15N-NOESY-HSQC_10
_Saveframe_category NMR_applied_experiment
_Experiment_name 15N-NOESY-HSQC
_Sample_label $sample_1
save_
save_13C-NOESY-HSQC_11
_Saveframe_category NMR_applied_experiment
_Experiment_name 13C-NOESY-HSQC
_Sample_label $sample_1
save_
save_HCCONNH_12
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCONNH
_Sample_label $sample_1
save_
save_HNHA_13
_Saveframe_category NMR_applied_experiment
_Experiment_name HNHA
_Sample_label $sample_1
save_
save_13C15N_CHIRP_14
_Saveframe_category NMR_applied_experiment
_Experiment_name '13C15N CHIRP'
_Sample_label $sample_1
save_
save_13C15N_Filtered_TOCSY_15
_Saveframe_category NMR_applied_experiment
_Experiment_name '13C15N Filtered TOCSY'
_Sample_label $sample_1
save_
save_CCONNH_16
_Saveframe_category NMR_applied_experiment
_Experiment_name CCONNH
_Sample_label $sample_1
save_
save_1N15N_HSQC
_Saveframe_category NMR_applied_experiment
_Experiment_name '1N15N HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_1N13C_HSQC
_Saveframe_category NMR_applied_experiment
_Experiment_name '1N13C HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_HNCA
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_HNCACB
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_CBCACONNH
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCACONNH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_HBHACONNH
_Saveframe_category NMR_applied_experiment
_Experiment_name HBHACONNH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_CCH-TOCSY
_Saveframe_category NMR_applied_experiment
_Experiment_name CCH-TOCSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_HCCH-TOCSY
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_HNCO
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_15N-NOESY-HSQC
_Saveframe_category NMR_applied_experiment
_Experiment_name 15N-NOESY-HSQC
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_13C-NOESY-HSQC
_Saveframe_category NMR_applied_experiment
_Experiment_name 13C-NOESY-HSQC
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_HCCONNH
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCONNH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_HNHA
_Saveframe_category NMR_applied_experiment
_Experiment_name HNHA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_13C15N_CHIRP
_Saveframe_category NMR_applied_experiment
_Experiment_name '13C15N CHIRP'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_13C15N_Filtered_TOCSY
_Saveframe_category NMR_applied_experiment
_Experiment_name '13C15N Filtered TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_CCONNH
_Saveframe_category NMR_applied_experiment
_Experiment_name CCONNH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.5 0.1 pH
temperature 298 0.1 K
'ionic strength' 20 0.2 mM
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_referencing
_Saveframe_category chemical_shift_reference
_Details .
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 internal direct . . . 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_chem_shift_list_1_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$VNMR_6.1c
stop_
loop_
_Experiment_label
'1N15N HSQC'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $conditions_1
_Chem_shift_reference_set_label $chemical_shift_referencing
_Mol_system_component_name HRV
_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 PRO HA H 4.390 0.02 1
2 2 2 PRO HB2 H 2.430 0.02 1
3 2 2 PRO HB3 H 2.430 0.02 1
4 2 2 PRO HG2 H 1.990 0.02 1
5 2 2 PRO HG3 H 1.930 0.02 1
6 2 2 PRO HD2 H 3.680 0.02 1
7 2 2 PRO C C 177.265 0.3 1
8 2 2 PRO CA C 64.695 0.3 1
9 2 2 PRO CB C 32.363 0.3 1
10 2 2 PRO CG C 27.180 0.3 1
11 2 2 PRO CD C 49.900 0.3 1
12 3 3 ASN H H 8.899 0.02 1
13 3 3 ASN HA H 5.005 0.02 1
14 3 3 ASN HB2 H 2.730 0.02 2
15 3 3 ASN HB3 H 3.040 0.02 2
16 3 3 ASN HD21 H 7.170 0.02 2
17 3 3 ASN HD22 H 8.490 0.02 2
18 3 3 ASN C C 176.442 0.3 1
19 3 3 ASN CA C 53.216 0.3 1
20 3 3 ASN CB C 38.761 0.3 1
21 3 3 ASN N N 115.013 0.3 1
22 3 3 ASN ND2 N 116.080 0.3 1
23 4 4 THR H H 7.641 0.02 1
24 4 4 THR HA H 3.692 0.02 1
25 4 4 THR HB H 4.100 0.02 1
26 4 4 THR HG2 H 1.240 0.02 1
27 4 4 THR C C 174.659 0.3 1
28 4 4 THR CA C 67.653 0.3 1
29 4 4 THR CB C 68.703 0.3 1
30 4 4 THR CG2 C 21.980 0.3 1
31 4 4 THR N N 117.093 0.3 1
32 5 5 GLU H H 8.637 0.02 1
33 5 5 GLU HA H 3.925 0.02 1
34 5 5 GLU HB2 H 2.050 0.02 1
35 5 5 GLU HB3 H 2.050 0.02 1
36 5 5 GLU HG2 H 2.330 0.02 2
37 5 5 GLU HG3 H 2.250 0.02 2
38 5 5 GLU C C 179.169 0.3 1
39 5 5 GLU CA C 60.338 0.3 1
40 5 5 GLU CB C 28.970 0.3 1
41 5 5 GLU CG C 36.350 0.3 1
42 5 5 GLU N N 120.691 0.3 1
43 6 6 PHE H H 8.581 0.02 1
44 6 6 PHE HA H 4.216 0.02 1
45 6 6 PHE HB2 H 3.290 0.02 2
46 6 6 PHE HB3 H 2.810 0.02 2
47 6 6 PHE HD1 H 7.080 0.02 3
48 6 6 PHE HD2 H 7.110 0.02 3
49 6 6 PHE HE1 H 6.540 0.02 1
50 6 6 PHE HE2 H 6.540 0.02 1
51 6 6 PHE HZ H 6.220 0.02 1
52 6 6 PHE C C 177.391 0.3 1
53 6 6 PHE CA C 61.338 0.3 1
54 6 6 PHE CB C 39.502 0.3 1
55 6 6 PHE CD1 C 132.660 0.3 1
56 6 6 PHE CD2 C 132.660 0.3 1
57 6 6 PHE CE1 C 131.420 0.3 1
58 6 6 PHE CE2 C 131.420 0.3 1
59 6 6 PHE CZ C 128.930 0.3 1
60 6 6 PHE N N 121.332 0.3 1
61 7 7 ALA H H 8.322 0.02 1
62 7 7 ALA HA H 3.702 0.02 1
63 7 7 ALA HB H 1.360 0.02 1
64 7 7 ALA C C 179.126 0.3 1
65 7 7 ALA CA C 55.676 0.3 1
66 7 7 ALA CB C 18.989 0.3 1
67 7 7 ALA N N 122.515 0.3 1
68 8 8 LEU H H 8.593 0.02 1
69 8 8 LEU HA H 3.910 0.02 1
70 8 8 LEU HB2 H 1.320 0.02 2
71 8 8 LEU HB3 H 1.880 0.02 2
72 8 8 LEU HG H 1.680 0.02 1
73 8 8 LEU HD1 H 0.810 0.02 2
74 8 8 LEU HD2 H 0.800 0.02 2
75 8 8 LEU C C 179.620 0.3 1
76 8 8 LEU CA C 57.832 0.3 1
77 8 8 LEU CB C 41.802 0.3 1
78 8 8 LEU CG C 26.740 0.3 1
79 8 8 LEU CD1 C 25.630 0.3 1
80 8 8 LEU CD2 C 22.800 0.3 1
81 8 8 LEU N N 117.060 0.3 1
82 9 9 SER H H 7.736 0.02 1
83 9 9 SER HA H 4.123 0.02 1
84 9 9 SER HB2 H 3.878 0.02 2
85 9 9 SER HB3 H 3.870 0.02 2
86 9 9 SER C C 176.978 0.3 1
87 9 9 SER CA C 61.312 0.3 1
88 9 9 SER CB C 62.437 0.3 1
89 9 9 SER N N 115.667 0.3 1
90 10 10 LEU H H 7.634 0.02 1
91 10 10 LEU HA H 3.780 0.02 1
92 10 10 LEU HB2 H 1.740 0.02 2
93 10 10 LEU HB3 H 1.130 0.02 2
94 10 10 LEU HG H 0.850 0.02 1
95 10 10 LEU HD1 H 0.460 0.02 2
96 10 10 LEU HD2 H 0.590 0.02 2
97 10 10 LEU C C 176.260 0.3 1
98 10 10 LEU CA C 57.975 0.3 1
99 10 10 LEU CB C 41.842 0.3 1
100 10 10 LEU CG C 26.020 0.3 1
101 10 10 LEU CD1 C 23.240 0.3 1
102 10 10 LEU CD2 C 26.020 0.3 1
103 10 10 LEU N N 121.150 0.3 1
104 11 11 LEU H H 8.129 0.02 1
105 11 11 LEU HA H 3.840 0.02 1
106 11 11 LEU HB2 H 1.640 0.02 2
107 11 11 LEU HG H 1.350 0.02 1
108 11 11 LEU HD1 H 0.620 0.02 2
109 11 11 LEU HD2 H 0.720 0.02 2
110 11 11 LEU C C 177.638 0.3 1
111 11 11 LEU CA C 57.960 0.3 1
112 11 11 LEU CB C 41.687 0.3 1
113 11 11 LEU CG C 27.150 0.3 1
114 11 11 LEU CD1 C 23.390 0.3 1
115 11 11 LEU CD2 C 24.460 0.3 1
116 11 11 LEU N N 120.332 0.3 1
117 12 12 ARG H H 7.748 0.02 1
118 12 12 ARG HA H 4.127 0.02 1
119 12 12 ARG HB2 H 1.940 0.02 2
120 12 12 ARG HB3 H 1.860 0.02 2
121 12 12 ARG HG2 H 1.750 0.02 2
122 12 12 ARG HG3 H 1.670 0.02 2
123 12 12 ARG HD2 H 3.170 0.02 1
124 12 12 ARG HD3 H 3.170 0.02 1
125 12 12 ARG C C 178.509 0.3 1
126 12 12 ARG CA C 58.478 0.3 1
127 12 12 ARG CB C 31.121 0.3 1
128 12 12 ARG CG C 27.750 0.3 1
129 12 12 ARG CD C 43.210 0.3 1
130 12 12 ARG N N 114.657 0.3 1
131 13 13 LYS H H 7.660 0.02 1
132 13 13 LYS HA H 4.689 0.02 1
133 13 13 LYS HB2 H 1.860 0.02 2
134 13 13 LYS HB3 H 1.820 0.02 2
135 13 13 LYS HG2 H 1.470 0.02 2
136 13 13 LYS HG3 H 1.420 0.02 2
137 13 13 LYS HD2 H 1.470 0.02 2
138 13 13 LYS HD3 H 1.300 0.02 2
139 13 13 LYS HE2 H 2.610 0.02 2
140 13 13 LYS HE3 H 2.970 0.02 2
141 13 13 LYS HZ H 9.480 0.02 1
142 13 13 LYS C C 177.950 0.3 1
143 13 13 LYS CA C 57.343 0.3 1
144 13 13 LYS CB C 35.574 0.3 1
145 13 13 LYS CG C 25.750 0.3 1
146 13 13 LYS CD C 28.930 0.3 1
147 13 13 LYS CE C 41.980 0.3 1
148 13 13 LYS N N 113.879 0.3 1
149 14 14 ASN H H 8.673 0.02 1
150 14 14 ASN HA H 5.100 0.02 1
151 14 14 ASN HB2 H 2.080 0.02 2
152 14 14 ASN HB3 H 3.220 0.02 2
153 14 14 ASN HD21 H 8.030 0.02 2
154 14 14 ASN HD22 H 7.600 0.02 2
155 14 14 ASN C C 172.680 0.3 1
156 14 14 ASN CA C 56.104 0.3 1
157 14 14 ASN CB C 43.475 0.3 1
158 14 14 ASN CG C 177.590 0.3 1
159 14 14 ASN N N 116.702 0.3 1
160 14 14 ASN ND2 N 112.990 0.3 1
161 15 15 ILE H H 7.337 0.02 1
162 15 15 ILE HA H 5.100 0.02 1
163 15 15 ILE HB H 1.860 0.02 1
164 15 15 ILE HG12 H 0.980 0.02 2
165 15 15 ILE HG13 H 1.370 0.02 2
166 15 15 ILE HG2 H 1.050 0.02 1
167 15 15 ILE HD1 H 0.690 0.02 1
168 15 15 ILE C C 174.415 0.3 1
169 15 15 ILE CA C 60.828 0.3 1
170 15 15 ILE CB C 39.035 0.3 1
171 15 15 ILE CG1 C 29.180 0.3 1
172 15 15 ILE CG2 C 18.780 0.3 1
173 15 15 ILE CD1 C 14.310 0.3 1
174 15 15 ILE N N 121.084 0.3 1
175 16 16 MET H H 8.731 0.02 1
176 16 16 MET HA H 5.036 0.02 1
177 16 16 MET HB2 H 1.880 0.02 2
178 16 16 MET HB3 H 2.150 0.02 2
179 16 16 MET HG2 H 2.290 0.02 2
180 16 16 MET HG3 H 2.430 0.02 2
181 16 16 MET HE H 1.690 0.02 1
182 16 16 MET C C 174.186 0.3 1
183 16 16 MET CA C 53.727 0.3 1
184 16 16 MET CB C 38.110 0.3 1
185 16 16 MET CG C 30.890 0.3 1
186 16 16 MET CE C 18.800 0.3 1
187 16 16 MET N N 124.399 0.3 1
188 17 17 THR H H 8.892 0.02 1
189 17 17 THR HA H 5.077 0.02 1
190 17 17 THR HB H 3.900 0.02 1
191 17 17 THR HG2 H 1.090 0.02 1
192 17 17 THR C C 174.903 0.3 1
193 17 17 THR CA C 62.935 0.3 1
194 17 17 THR CB C 69.629 0.3 1
195 17 17 THR CG2 C 23.230 0.3 1
196 17 17 THR N N 118.464 0.3 1
197 18 18 ILE H H 9.680 0.02 1
198 18 18 ILE HA H 5.533 0.02 1
199 18 18 ILE HB H 1.760 0.02 1
200 18 18 ILE HG12 H 1.480 0.02 2
201 18 18 ILE HG13 H 1.200 0.02 2
202 18 18 ILE HG2 H 0.780 0.02 1
203 18 18 ILE HD1 H 0.820 0.02 1
204 18 18 ILE C C 174.903 0.3 1
205 18 18 ILE CA C 58.669 0.3 1
206 18 18 ILE CB C 39.515 0.3 1
207 18 18 ILE CG1 C 27.830 0.3 1
208 18 18 ILE CG2 C 16.520 0.3 1
209 18 18 ILE CD1 C 12.810 0.3 1
210 18 18 ILE N N 130.622 0.3 1
211 19 19 THR H H 9.408 0.02 1
212 19 19 THR HA H 5.474 0.02 1
213 19 19 THR HB H 3.920 0.02 1
214 19 19 THR HG2 H 1.350 0.02 1
215 19 19 THR C C 175.895 0.3 1
216 19 19 THR CA C 61.749 0.3 1
217 19 19 THR CB C 69.469 0.3 1
218 19 19 THR CG2 C 21.740 0.3 1
219 19 19 THR N N 124.352 0.3 1
220 20 20 THR H H 9.333 0.02 1
221 20 20 THR HA H 5.345 0.02 1
222 20 20 THR HB H 4.750 0.02 1
223 20 20 THR HG2 H 1.000 0.02 1
224 20 20 THR CA C 59.234 0.3 1
225 20 20 THR CB C 71.335 0.3 1
226 20 20 THR CG2 C 21.640 0.3 1
227 20 20 THR N N 119.550 0.3 1
228 21 21 SER HA H 4.370 0.02 1
229 21 21 SER HB2 H 4.070 0.02 1
230 21 21 SER HB3 H 4.070 0.02 1
231 21 21 SER C C 175.376 0.3 1
232 21 21 SER CA C 61.638 0.3 1
233 21 21 SER CB C 62.283 0.3 1
234 22 22 LYS H H 8.341 0.02 1
235 22 22 LYS HA H 4.558 0.02 1
236 22 22 LYS HB2 H 2.270 0.02 2
237 22 22 LYS HB3 H 1.840 0.02 2
238 22 22 LYS HG2 H 1.450 0.02 2
239 22 22 LYS HG3 H 1.620 0.02 2
240 22 22 LYS HD2 H 1.750 0.02 2
241 22 22 LYS HD3 H 1.680 0.02 2
242 22 22 LYS HE2 H 2.990 0.02 1
243 22 22 LYS HE3 H 2.990 0.02 1
244 22 22 LYS HZ H 7.070 0.02 1
245 22 22 LYS C C 175.935 0.3 1
246 22 22 LYS CA C 54.524 0.3 1
247 22 22 LYS CB C 32.517 0.3 1
248 22 22 LYS CG C 24.600 0.3 1
249 22 22 LYS CD C 27.660 0.3 1
250 22 22 LYS CE C 42.210 0.3 1
251 22 22 LYS N N 118.314 0.3 1
252 23 23 GLY H H 7.609 0.02 1
253 23 23 GLY HA2 H 4.430 0.02 2
254 23 23 GLY HA3 H 3.800 0.02 2
255 23 23 GLY C C 171.029 0.3 1
256 23 23 GLY CA C 44.171 0.3 1
257 23 23 GLY N N 107.390 0.3 1
258 24 24 GLU H H 8.262 0.02 1
259 24 24 GLU HA H 4.920 0.02 1
260 24 24 GLU HB2 H 1.620 0.02 2
261 24 24 GLU HB3 H 1.820 0.02 2
262 24 24 GLU HG2 H 2.280 0.02 2
263 24 24 GLU HG3 H 2.230 0.02 2
264 24 24 GLU C C 175.984 0.3 1
265 24 24 GLU CA C 55.896 0.3 1
266 24 24 GLU CB C 31.582 0.3 1
267 24 24 GLU CG C 36.390 0.3 1
268 24 24 GLU N N 117.480 0.3 1
269 25 25 PHE H H 9.446 0.02 1
270 25 25 PHE HA H 4.501 0.02 1
271 25 25 PHE HB2 H 2.980 0.02 2
272 25 25 PHE HB3 H 2.650 0.02 2
273 25 25 PHE HD1 H 7.240 0.02 1
274 25 25 PHE HD2 H 7.240 0.02 1
275 25 25 PHE HE1 H 7.110 0.02 1
276 25 25 PHE HE2 H 7.110 0.02 1
277 25 25 PHE HZ H 7.540 0.02 1
278 25 25 PHE C C 175.595 0.3 1
279 25 25 PHE CA C 56.840 0.3 1
280 25 25 PHE CB C 42.790 0.3 1
281 25 25 PHE CD1 C 130.790 0.3 1
282 25 25 PHE CD2 C 130.790 0.3 1
283 25 25 PHE CE1 C 130.790 0.3 1
284 25 25 PHE CE2 C 130.790 0.3 1
285 25 25 PHE CZ C 132.030 0.3 1
286 25 25 PHE N N 119.580 0.3 1
287 26 26 THR H H 8.675 0.02 1
288 26 26 THR HA H 4.630 0.02 1
289 26 26 THR HB H 3.800 0.02 1
290 26 26 THR HG2 H 1.360 0.02 1
291 26 26 THR C C 172.275 0.3 1
292 26 26 THR CA C 64.946 0.3 1
293 26 26 THR CB C 69.839 0.3 1
294 26 26 THR CG2 C 22.780 0.3 1
295 26 26 THR N N 120.098 0.3 1
296 27 27 GLY H H 9.283 0.02 1
297 27 27 GLY HA2 H 5.012 0.02 2
298 27 27 GLY HA3 H 3.220 0.02 2
299 27 27 GLY C C 171.170 0.3 1
300 27 27 GLY CA C 44.239 0.3 1
301 27 27 GLY N N 111.423 0.3 1
302 28 28 LEU H H 7.364 0.02 1
303 28 28 LEU HA H 4.959 0.02 1
304 28 28 LEU HB2 H 1.740 0.02 2
305 28 28 LEU HB3 H 1.220 0.02 2
306 28 28 LEU HG H 1.400 0.02 1
307 28 28 LEU HD1 H 0.800 0.02 2
308 28 28 LEU HD2 H 0.660 0.02 2
309 28 28 LEU C C 175.345 0.3 1
310 28 28 LEU CA C 52.913 0.3 1
311 28 28 LEU CB C 43.686 0.3 1
312 28 28 LEU CG C 26.510 0.3 1
313 28 28 LEU CD1 C 22.650 0.3 1
314 28 28 LEU CD2 C 26.340 0.3 1
315 28 28 LEU N N 121.881 0.3 1
316 29 29 GLY H H 9.225 0.02 1
317 29 29 GLY HA2 H 1.150 0.02 2
318 29 29 GLY HA3 H 3.140 0.02 2
319 29 29 GLY C C 172.183 0.3 1
320 29 29 GLY CA C 43.297 0.3 1
321 29 29 GLY N N 116.796 0.3 1
322 30 30 ILE H H 8.800 0.02 1
323 30 30 ILE HA H 3.880 0.02 1
324 30 30 ILE HB H 1.560 0.02 1
325 30 30 ILE HG12 H 1.420 0.02 2
326 30 30 ILE HG13 H 0.760 0.02 2
327 30 30 ILE HG2 H 0.150 0.02 1
328 30 30 ILE HD1 H 0.200 0.02 1
329 30 30 ILE C C 173.845 0.3 1
330 30 30 ILE CA C 59.761 0.3 1
331 30 30 ILE CB C 36.999 0.3 1
332 30 30 ILE CG1 C 25.100 0.3 1
333 30 30 ILE CG2 C 16.650 0.3 1
334 30 30 ILE CD1 C 8.910 0.3 1
335 30 30 ILE N N 126.782 0.3 1
336 31 31 HIS H H 7.303 0.02 1
337 31 31 HIS HA H 4.439 0.02 1
338 31 31 HIS HB2 H 3.050 0.02 2
339 31 31 HIS HB3 H 3.750 0.02 2
340 31 31 HIS HD2 H 6.460 0.02 3
341 31 31 HIS HE1 H 7.790 0.02 3
342 31 31 HIS C C 171.951 0.3 1
343 31 31 HIS CA C 54.827 0.3 1
344 31 31 HIS CB C 30.030 0.3 1
345 31 31 HIS CD2 C 118.900 0.3 1
346 31 31 HIS CE1 C 138.250 0.3 1
347 31 31 HIS N N 108.457 0.3 1
348 32 32 ASP H H 10.063 0.02 1
349 32 32 ASP HA H 4.020 0.02 1
350 32 32 ASP HB2 H 2.680 0.02 2
351 32 32 ASP HB3 H 2.640 0.02 2
352 32 32 ASP C C 174.102 0.3 1
353 32 32 ASP CA C 57.409 0.3 1
354 32 32 ASP CB C 40.905 0.3 1
355 32 32 ASP N N 122.803 0.3 1
356 33 33 ARG H H 8.296 0.02 1
357 33 33 ARG HA H 4.722 0.02 1
358 33 33 ARG HB2 H 2.050 0.02 2
359 33 33 ARG HG2 H 1.590 0.02 2
360 33 33 ARG HD2 H 3.060 0.02 2
361 33 33 ARG HD3 H 3.100 0.02 2
362 33 33 ARG HE H 6.540 0.02 1
363 33 33 ARG HH21 H 6.220 0.02 1
364 33 33 ARG C C 175.005 0.3 1
365 33 33 ARG CA C 56.480 0.3 1
366 33 33 ARG CB C 29.122 0.3 1
367 33 33 ARG CG C 28.980 0.3 1
368 33 33 ARG CD C 43.840 0.3 1
369 33 33 ARG N N 125.773 0.3 1
370 34 34 VAL H H 9.010 0.02 1
371 34 34 VAL HA H 5.047 0.02 1
372 34 34 VAL HB H 1.920 0.02 1
373 34 34 VAL HG1 H 0.990 0.02 2
374 34 34 VAL HG2 H 0.990 0.02 2
375 34 34 VAL C C 175.428 0.3 1
376 34 34 VAL CA C 62.667 0.3 1
377 34 34 VAL CB C 33.075 0.3 1
378 34 34 VAL CG1 C 21.960 0.3 1
379 34 34 VAL CG2 C 21.960 0.3 1
380 34 34 VAL N N 121.899 0.3 1
381 35 35 CYS H H 9.632 0.02 1
382 35 35 CYS HA H 5.526 0.02 1
383 35 35 CYS HB2 H 2.520 0.02 2
384 35 35 CYS HB3 H 2.570 0.02 2
385 35 35 CYS C C 171.593 0.3 1
386 35 35 CYS CA C 54.941 0.3 1
387 35 35 CYS CB C 33.230 0.3 1
388 35 35 CYS N N 123.772 0.3 1
389 36 36 VAL H H 8.385 0.02 1
390 36 36 VAL HA H 5.607 0.02 1
391 36 36 VAL HB H 2.090 0.02 1
392 36 36 VAL HG1 H 1.120 0.02 2
393 36 36 VAL HG2 H 1.160 0.02 2
394 36 36 VAL C C 173.372 0.3 1
395 36 36 VAL CA C 59.123 0.3 1
396 36 36 VAL CB C 36.052 0.3 1
397 36 36 VAL CG1 C 22.670 0.3 1
398 36 36 VAL CG2 C 21.360 0.3 1
399 36 36 VAL N N 114.407 0.3 1
400 37 37 ILE H H 8.286 0.02 1
401 37 37 ILE HA H 4.940 0.02 1
402 37 37 ILE HB H 1.600 0.02 1
403 37 37 ILE HG12 H 0.870 0.02 2
404 37 37 ILE HG13 H 1.310 0.02 2
405 37 37 ILE HG2 H 0.850 0.02 1
406 37 37 ILE HD1 H 0.520 0.02 1
407 37 37 ILE CA C 58.114 0.3 1
408 37 37 ILE CB C 43.073 0.3 1
409 37 37 ILE CG1 C 26.320 0.3 1
410 37 37 ILE CG2 C 17.560 0.3 1
411 37 37 ILE CD1 C 14.800 0.3 1
412 37 37 ILE N N 116.437 0.3 1
413 38 38 PRO HA H 5.060 0.02 1
414 38 38 PRO HD2 H 3.760 0.02 1
415 38 38 PRO HD3 H 3.760 0.02 1
416 38 38 PRO C C 177.370 0.3 1
417 38 38 PRO CA C 62.190 0.3 1
418 38 38 PRO CB C 32.520 0.3 1
419 38 38 PRO CG C 29.530 0.3 1
420 39 39 THR H H 7.560 0.02 1
421 39 39 THR HA H 4.430 0.02 1
422 39 39 THR HB H 3.950 0.02 1
423 39 39 THR HG2 H 1.020 0.02 1
424 39 39 THR CA C 64.990 0.3 1
425 39 39 THR CB C 69.000 0.3 1
426 39 39 THR CG2 C 19.970 0.3 1
427 39 39 THR N N 124.100 0.3 1
428 40 40 HIS H H 7.930 0.02 1
429 40 40 HIS HA H 4.280 0.02 1
430 40 40 HIS HB2 H 2.770 0.02 1
431 40 40 HIS HB3 H 2.770 0.02 1
432 40 40 HIS HD2 H 6.620 0.02 3
433 40 40 HIS HE1 H 7.820 0.02 3
434 40 40 HIS HE2 H 7.250 0.02 3
435 40 40 HIS C C 174.530 0.3 1
436 40 40 HIS CA C 57.610 0.3 1
437 40 40 HIS CB C 28.890 0.3 1
438 40 40 HIS CD2 C 118.360 0.3 1
439 40 40 HIS CE1 C 135.700 0.3 1
440 41 41 ALA H H 7.310 0.02 1
441 41 41 ALA HA H 3.500 0.02 1
442 41 41 ALA HB H 0.180 0.02 1
443 41 41 ALA C C 176.960 0.3 1
444 41 41 ALA CA C 54.190 0.3 1
445 41 41 ALA CB C 17.810 0.3 1
446 41 41 ALA N N 120.100 0.3 1
447 42 42 GLN H H 8.000 0.02 1
448 42 42 GLN HA H 3.950 0.02 1
449 42 42 GLN HB2 H 1.800 0.02 1
450 42 42 GLN HB3 H 1.800 0.02 1
451 42 42 GLN HG2 H 2.160 0.02 1
452 42 42 GLN HG3 H 2.160 0.02 1
453 42 42 GLN HE21 H 7.320 0.02 2
454 42 42 GLN HE22 H 6.780 0.02 2
455 42 42 GLN CA C 55.780 0.3 1
456 42 42 GLN CB C 27.990 0.3 1
457 42 42 GLN CG C 34.000 0.3 1
458 42 42 GLN CD C 180.180 0.3 1
459 42 42 GLN N N 110.860 0.3 1
460 42 42 GLN NE2 N 111.270 0.3 1
461 43 43 PRO HA H 4.310 0.02 1
462 43 43 PRO HB2 H 1.670 0.02 2
463 43 43 PRO HB3 H 1.820 0.02 2
464 43 43 PRO HG2 H 2.050 0.02 1
465 43 43 PRO HG3 H 2.050 0.02 1
466 43 43 PRO HD2 H 3.730 0.02 1
467 43 43 PRO HD3 H 3.730 0.02 1
468 43 43 PRO C C 176.840 0.3 1
469 43 43 PRO CA C 62.896 0.3 1
470 43 43 PRO CB C 31.976 0.3 1
471 43 43 PRO CG C 28.090 0.3 1
472 43 43 PRO CD C 50.030 0.3 1
473 44 44 GLY H H 9.130 0.02 1
474 44 44 GLY HA2 H 3.740 0.02 2
475 44 44 GLY HA3 H 4.380 0.02 2
476 44 44 GLY C C 173.143 0.3 1
477 44 44 GLY CA C 43.992 0.3 1
478 44 44 GLY N N 112.745 0.3 1
479 45 45 ASP H H 8.410 0.02 1
480 45 45 ASP HA H 4.535 0.02 1
481 45 45 ASP HB2 H 2.480 0.02 2
482 45 45 ASP HB3 H 2.860 0.02 2
483 45 45 ASP C C 175.352 0.3 1
484 45 45 ASP CA C 56.116 0.3 1
485 45 45 ASP CB C 41.314 0.3 1
486 45 45 ASP N N 121.193 0.3 1
487 46 46 ASP H H 7.775 0.02 1
488 46 46 ASP HA H 5.220 0.02 1
489 46 46 ASP HB2 H 2.320 0.02 2
490 46 46 ASP HB3 H 2.580 0.02 2
491 46 46 ASP C C 173.800 0.3 1
492 46 46 ASP CA C 52.637 0.3 1
493 46 46 ASP CB C 44.691 0.3 1
494 46 46 ASP N N 114.710 0.3 1
495 47 47 VAL H H 8.768 0.02 1
496 47 47 VAL HA H 4.697 0.02 1
497 47 47 VAL HB H 2.100 0.02 1
498 47 47 VAL HG1 H 0.720 0.02 1
499 47 47 VAL HG2 H 0.500 0.02 1
500 47 47 VAL C C 174.671 0.3 1
501 47 47 VAL CA C 59.054 0.3 1
502 47 47 VAL CB C 36.156 0.3 1
503 47 47 VAL CG1 C 22.280 0.3 1
504 47 47 VAL CG2 C 17.950 0.3 1
505 47 47 VAL N N 111.523 0.3 1
506 48 48 LEU H H 7.960 0.02 1
507 48 48 LEU HA H 5.276 0.02 1
508 48 48 LEU HB2 H 1.910 0.02 2
509 48 48 LEU HB3 H 0.880 0.02 2
510 48 48 LEU HG H 1.560 0.02 1
511 48 48 LEU HD1 H 0.680 0.02 2
512 48 48 LEU HD2 H 0.840 0.02 2
513 48 48 LEU C C 177.242 0.3 1
514 48 48 LEU CA C 53.375 0.3 1
515 48 48 LEU CB C 42.513 0.3 1
516 48 48 LEU CG C 26.850 0.3 1
517 48 48 LEU CD1 C 22.250 0.3 1
518 48 48 LEU CD2 C 24.950 0.3 1
519 48 48 LEU N N 116.118 0.3 1
520 49 49 VAL H H 9.382 0.02 1
521 49 49 VAL HA H 4.571 0.02 1
522 49 49 VAL HB H 2.070 0.02 1
523 49 49 VAL HG1 H 0.850 0.02 2
524 49 49 VAL HG2 H 0.850 0.02 2
525 49 49 VAL C C 176.562 0.3 1
526 49 49 VAL CA C 61.442 0.3 1
527 49 49 VAL CB C 32.638 0.3 1
528 49 49 VAL CG1 C 21.950 0.3 1
529 49 49 VAL CG2 C 21.960 0.3 1
530 49 49 VAL N N 122.750 0.3 1
531 50 50 ASN H H 9.865 0.02 1
532 50 50 ASN HA H 4.471 0.02 1
533 50 50 ASN HB2 H 3.090 0.02 2
534 50 50 ASN HB3 H 3.180 0.02 2
535 50 50 ASN HD21 H 7.720 0.02 2
536 50 50 ASN HD22 H 7.290 0.02 2
537 50 50 ASN C C 175.705 0.3 1
538 50 50 ASN CA C 54.338 0.3 1
539 50 50 ASN CB C 37.234 0.3 1
540 50 50 ASN N N 128.906 0.3 1
541 50 50 ASN ND2 N 113.540 0.3 1
542 51 51 GLY H H 8.269 0.02 1
543 51 51 GLY HA2 H 4.310 0.02 2
544 51 51 GLY HA3 H 3.520 0.02 2
545 51 51 GLY C C 173.106 0.3 1
546 51 51 GLY CA C 45.800 0.3 1
547 51 51 GLY N N 101.193 0.3 1
548 52 52 GLN H H 7.766 0.02 1
549 52 52 GLN HA H 4.598 0.02 1
550 52 52 GLN HB2 H 2.150 0.02 2
551 52 52 GLN HB3 H 2.030 0.02 2
552 52 52 GLN HG2 H 2.410 0.02 2
553 52 52 GLN HG3 H 2.300 0.02 2
554 52 52 GLN C C 175.174 0.3 1
555 52 52 GLN CA C 53.968 0.3 1
556 52 52 GLN CB C 30.691 0.3 1
557 52 52 GLN CG C 33.610 0.3 1
558 52 52 GLN N N 120.694 0.3 1
559 53 53 LYS H H 8.844 0.02 1
560 53 53 LYS HA H 4.450 0.02 1
561 53 53 LYS HB2 H 1.770 0.02 1
562 53 53 LYS HB3 H 1.770 0.02 1
563 53 53 LYS HG2 H 1.200 0.02 1
564 53 53 LYS HG3 H 1.200 0.02 1
565 53 53 LYS HD2 H 1.550 0.02 1
566 53 53 LYS HD3 H 1.550 0.02 1
567 53 53 LYS HE2 H 2.810 0.02 1
568 53 53 LYS HE3 H 2.810 0.02 1
569 53 53 LYS C C 175.474 0.3 1
570 53 53 LYS CA C 58.231 0.3 1
571 53 53 LYS CB C 32.165 0.3 1
572 53 53 LYS CG C 24.590 0.3 1
573 53 53 LYS CD C 28.960 0.3 1
574 53 53 LYS CE C 41.810 0.3 1
575 53 53 LYS N N 127.811 0.3 1
576 54 54 ILE H H 9.354 0.02 1
577 54 54 ILE HA H 4.499 0.02 1
578 54 54 ILE HB H 1.810 0.02 1
579 54 54 ILE HG12 H 1.310 0.02 2
580 54 54 ILE HG13 H 1.580 0.02 2
581 54 54 ILE HG2 H 0.970 0.02 1
582 54 54 ILE HD1 H 0.810 0.02 1
583 54 54 ILE C C 174.411 0.3 1
584 54 54 ILE CA C 58.283 0.3 1
585 54 54 ILE CB C 40.269 0.3 1
586 54 54 ILE CG1 C 27.210 0.3 1
587 54 54 ILE CG2 C 18.830 0.3 1
588 54 54 ILE CD1 C 10.850 0.3 1
589 54 54 ILE N N 130.948 0.3 1
590 55 55 ARG H H 8.870 0.02 1
591 55 55 ARG HA H 4.532 0.02 1
592 55 55 ARG HB2 H 1.900 0.02 2
593 55 55 ARG HB3 H 1.960 0.02 2
594 55 55 ARG HG2 H 1.800 0.02 2
595 55 55 ARG HG3 H 1.600 0.02 2
596 55 55 ARG HD2 H 3.360 0.02 2
597 55 55 ARG HD3 H 3.270 0.02 2
598 55 55 ARG C C 175.011 0.3 1
599 55 55 ARG CA C 56.933 0.3 1
600 55 55 ARG CB C 31.351 0.3 1
601 55 55 ARG CG C 27.630 0.3 1
602 55 55 ARG CD C 43.230 0.3 1
603 55 55 ARG N N 126.299 0.3 1
604 56 56 VAL H H 8.450 0.02 1
605 56 56 VAL HA H 4.040 0.02 1
606 56 56 VAL HB H 2.040 0.02 1
607 56 56 VAL HG1 H 0.800 0.02 2
608 56 56 VAL HG2 H 0.840 0.02 2
609 56 56 VAL C C 175.909 0.3 1
610 56 56 VAL CA C 62.171 0.3 1
611 56 56 VAL CB C 32.181 0.3 1
612 56 56 VAL CG1 C 22.930 0.3 1
613 56 56 VAL CG2 C 23.850 0.3 1
614 56 56 VAL N N 125.212 0.3 1
615 57 57 LYS H H 8.853 0.02 1
616 57 57 LYS HA H 4.166 0.02 1
617 57 57 LYS HB2 H 1.700 0.02 2
618 57 57 LYS HB3 H 1.460 0.02 2
619 57 57 LYS HG2 H 1.380 0.02 2
620 57 57 LYS HG3 H 1.400 0.02 2
621 57 57 LYS HD2 H 1.640 0.02 1
622 57 57 LYS HD3 H 1.640 0.02 1
623 57 57 LYS HE2 H 2.880 0.02 1
624 57 57 LYS HE3 H 2.940 0.02 1
625 57 57 LYS C C 175.855 0.3 1
626 57 57 LYS CA C 57.870 0.3 1
627 57 57 LYS CB C 33.509 0.3 1
628 57 57 LYS CG C 25.010 0.3 1
629 57 57 LYS CD C 28.920 0.3 1
630 57 57 LYS CE C 41.420 0.3 1
631 57 57 LYS N N 129.058 0.3 1
632 58 58 ASP H H 7.609 0.02 1
633 58 58 ASP HA H 4.797 0.02 1
634 58 58 ASP HB2 H 2.660 0.02 2
635 58 58 ASP HB3 H 2.540 0.02 2
636 58 58 ASP C C 172.980 0.3 1
637 58 58 ASP CA C 53.586 0.3 1
638 58 58 ASP CB C 44.600 0.3 1
639 58 58 ASP N N 114.443 0.3 1
640 59 59 LYS H H 8.158 0.02 1
641 59 59 LYS HA H 5.346 0.02 1
642 59 59 LYS HB2 H 1.710 0.02 2
643 59 59 LYS HB3 H 1.400 0.02 2
644 59 59 LYS HG2 H 1.300 0.02 2
645 59 59 LYS HG3 H 1.240 0.02 2
646 59 59 LYS HD2 H 1.310 0.02 2
647 59 59 LYS HD3 H 1.470 0.02 2
648 59 59 LYS HE2 H 3.050 0.02 1
649 59 59 LYS HE3 H 2.890 0.02 1
650 59 59 LYS C C 174.391 0.3 1
651 59 59 LYS CA C 54.959 0.3 1
652 59 59 LYS CB C 35.925 0.3 1
653 59 59 LYS CG C 23.200 0.3 1
654 59 59 LYS CD C 29.740 0.3 1
655 59 59 LYS CE C 41.580 0.3 1
656 59 59 LYS N N 118.077 0.3 1
657 60 60 TYR H H 8.386 0.02 1
658 60 60 TYR HA H 4.816 0.02 1
659 60 60 TYR HB2 H 3.120 0.02 2
660 60 60 TYR HB3 H 2.900 0.02 2
661 60 60 TYR HD1 H 6.920 0.02 1
662 60 60 TYR HD2 H 6.920 0.02 1
663 60 60 TYR HE1 H 6.740 0.02 3
664 60 60 TYR HE2 H 6.770 0.02 3
665 60 60 TYR C C 172.967 0.3 1
666 60 60 TYR CA C 56.417 0.3 1
667 60 60 TYR CB C 40.282 0.3 1
668 60 60 TYR CD1 C 133.280 0.3 1
669 60 60 TYR CD2 C 133.280 0.3 1
670 60 60 TYR CE1 C 117.990 0.3 1
671 60 60 TYR CE2 C 117.990 0.3 1
672 60 60 TYR N N 119.482 0.3 1
673 61 61 LYS H H 8.515 0.02 1
674 61 61 LYS HA H 4.707 0.02 1
675 61 61 LYS HB2 H 1.710 0.02 2
676 61 61 LYS HB3 H 1.480 0.02 2
677 61 61 LYS HG2 H 1.340 0.02 1
678 61 61 LYS HG3 H 1.340 0.02 1
679 61 61 LYS HD2 H 1.670 0.02 2
680 61 61 LYS HD3 H 1.600 0.02 2
681 61 61 LYS HE2 H 2.890 0.02 1
682 61 61 LYS HE3 H 2.890 0.02 1
683 61 61 LYS C C 175.947 0.3 1
684 61 61 LYS CA C 55.177 0.3 1
685 61 61 LYS CB C 33.578 0.3 1
686 61 61 LYS CG C 24.860 0.3 1
687 61 61 LYS CD C 29.500 0.3 1
688 61 61 LYS CE C 41.800 0.3 1
689 61 61 LYS N N 123.678 0.3 1
690 62 62 LEU H H 8.702 0.02 1
691 62 62 LEU HA H 4.540 0.02 1
692 62 62 LEU HB2 H 1.620 0.02 2
693 62 62 LEU HB3 H 0.990 0.02 2
694 62 62 LEU HG H 1.330 0.02 1
695 62 62 LEU HD1 H 0.110 0.02 2
696 62 62 LEU HD2 H 0.520 0.02 2
697 62 62 LEU C C 176.791 0.3 1
698 62 62 LEU CA C 55.482 0.3 1
699 62 62 LEU CB C 42.165 0.3 1
700 62 62 LEU CG C 27.170 0.3 1
701 62 62 LEU CD1 C 24.610 0.3 1
702 62 62 LEU CD2 C 22.960 0.3 1
703 62 62 LEU N N 123.145 0.3 1
704 63 63 VAL H H 8.096 0.02 1
705 63 63 VAL HA H 4.680 0.02 1
706 63 63 VAL HB H 1.800 0.02 1
707 63 63 VAL HG1 H 0.950 0.02 2
708 63 63 VAL HG2 H 0.850 0.02 2
709 63 63 VAL C C 174.314 0.3 1
710 63 63 VAL CA C 59.340 0.3 1
711 63 63 VAL CB C 36.068 0.3 1
712 63 63 VAL CG1 C 18.360 0.3 1
713 63 63 VAL CG2 C 22.450 0.3 1
714 63 63 VAL N N 117.450 0.3 1
715 64 64 ASP H H 8.912 0.02 1
716 64 64 ASP HA H 4.642 0.02 1
717 64 64 ASP HB2 H 3.350 0.02 2
718 64 64 ASP HB3 H 2.560 0.02 2
719 64 64 ASP CA C 53.218 0.3 1
720 64 64 ASP CB C 41.252 0.3 1
721 64 64 ASP N N 125.751 0.3 1
722 65 65 PRO HA H 4.430 0.02 1
723 65 65 PRO HB2 H 2.480 0.02 2
724 65 65 PRO HB3 H 2.500 0.02 2
725 65 65 PRO HG2 H 2.040 0.02 2
726 65 65 PRO HG3 H 1.870 0.02 2
727 65 65 PRO HD2 H 3.720 0.02 2
728 65 65 PRO HD3 H 3.620 0.02 2
729 65 65 PRO C C 177.294 0.3 1
730 65 65 PRO CA C 65.510 0.3 1
731 65 65 PRO CB C 31.999 0.3 1
732 65 65 PRO CG C 28.020 0.3 1
733 65 65 PRO CD C 51.780 0.3 1
734 66 66 GLU H H 8.199 0.02 1
735 66 66 GLU HA H 4.390 0.02 1
736 66 66 GLU HB2 H 2.300 0.02 1
737 66 66 GLU HB3 H 2.300 0.02 1
738 66 66 GLU HG2 H 2.180 0.02 1
739 66 66 GLU HG3 H 2.180 0.02 1
740 66 66 GLU C C 175.498 0.3 1
741 66 66 GLU CA C 55.700 0.3 1
742 66 66 GLU CB C 29.439 0.3 1
743 66 66 GLU CG C 37.440 0.3 1
744 66 66 GLU N N 117.032 0.3 1
745 67 67 ASN H H 8.682 0.02 1
746 67 67 ASN HA H 4.177 0.02 1
747 67 67 ASN HB2 H 2.850 0.02 2
748 67 67 ASN HB3 H 3.160 0.02 2
749 67 67 ASN HD21 H 6.740 0.02 2
750 67 67 ASN HD22 H 7.490 0.02 2
751 67 67 ASN C C 174.600 0.3 1
752 67 67 ASN CA C 54.443 0.3 1
753 67 67 ASN CB C 37.517 0.3 1
754 67 67 ASN CG C 178.490 0.3 1
755 67 67 ASN N N 114.802 0.3 1
756 67 67 ASN ND2 N 112.230 0.3 1
757 68 68 ILE H H 8.476 0.02 1
758 68 68 ILE HA H 4.028 0.02 1
759 68 68 ILE HB H 1.950 0.02 1
760 68 68 ILE HG12 H 1.020 0.02 2
761 68 68 ILE HG13 H 1.470 0.02 2
762 68 68 ILE HG2 H 0.880 0.02 1
763 68 68 ILE HD1 H 0.750 0.02 1
764 68 68 ILE C C 176.096 0.3 1
765 68 68 ILE CA C 60.807 0.3 1
766 68 68 ILE CB C 36.073 0.3 1
767 68 68 ILE CG1 C 27.910 0.3 1
768 68 68 ILE CG2 C 18.200 0.3 1
769 68 68 ILE CD1 C 11.840 0.3 1
770 68 68 ILE N N 121.651 0.3 1
771 69 69 ASN H H 8.486 0.02 1
772 69 69 ASN HA H 4.330 0.02 1
773 69 69 ASN HB2 H 3.390 0.02 2
774 69 69 ASN HB3 H 2.920 0.02 2
775 69 69 ASN C C 174.409 0.3 1
776 69 69 ASN CA C 56.112 0.3 1
777 69 69 ASN CB C 40.584 0.3 1
778 69 69 ASN N N 124.160 0.3 1
779 70 70 LEU H H 7.145 0.02 1
780 70 70 LEU HA H 4.843 0.02 1
781 70 70 LEU HB2 H 1.750 0.02 2
782 70 70 LEU HB3 H 1.380 0.02 2
783 70 70 LEU HD1 H 0.650 0.02 2
784 70 70 LEU HD2 H 0.930 0.02 2
785 70 70 LEU C C 176.355 0.3 1
786 70 70 LEU CA C 54.279 0.3 1
787 70 70 LEU CB C 41.929 0.3 1
788 70 70 LEU CG C 26.720 0.3 1
789 70 70 LEU CD1 C 25.500 0.3 1
790 70 70 LEU CD2 C 23.520 0.3 1
791 70 70 LEU N N 121.866 0.3 1
792 71 71 GLU H H 7.867 0.02 1
793 71 71 GLU HA H 4.110 0.02 1
794 71 71 GLU HB2 H 2.450 0.02 1
795 71 71 GLU HB3 H 2.450 0.02 1
796 71 71 GLU HG2 H 1.810 0.02 2
797 71 71 GLU HG3 H 3.430 0.02 2
798 71 71 GLU C C 174.436 0.3 1
799 71 71 GLU CA C 55.062 0.3 1
800 71 71 GLU CB C 29.770 0.3 1
801 71 71 GLU CG C 38.650 0.3 1
802 71 71 GLU N N 116.529 0.3 1
803 72 72 LEU H H 6.489 0.02 1
804 72 72 LEU HA H 4.783 0.02 1
805 72 72 LEU HB2 H 1.000 0.02 2
806 72 72 LEU HB3 H 1.410 0.02 2
807 72 72 LEU HG H 0.950 0.02 1
808 72 72 LEU HD1 H 0.830 0.02 2
809 72 72 LEU HD2 H 0.830 0.02 2
810 72 72 LEU C C 175.008 0.3 1
811 72 72 LEU CA C 53.132 0.3 1
812 72 72 LEU CB C 47.491 0.3 1
813 72 72 LEU CG C 27.250 0.3 1
814 72 72 LEU CD1 C 24.330 0.3 1
815 72 72 LEU CD2 C 24.330 0.3 1
816 72 72 LEU N N 116.457 0.3 1
817 73 73 THR H H 8.600 0.02 1
818 73 73 THR HA H 4.930 0.02 1
819 73 73 THR HB H 3.630 0.02 1
820 73 73 THR HG2 H 0.840 0.02 1
821 73 73 THR C C 171.412 0.3 1
822 73 73 THR CA C 62.001 0.3 1
823 73 73 THR CB C 71.731 0.3 1
824 73 73 THR CG2 C 20.750 0.3 1
825 73 73 THR N N 118.883 0.3 1
826 74 74 VAL H H 8.676 0.02 1
827 74 74 VAL HA H 4.470 0.02 1
828 74 74 VAL HB H 1.440 0.02 1
829 74 74 VAL HG1 H 1.030 0.02 2
830 74 74 VAL HG2 H 0.790 0.02 2
831 74 74 VAL C C 175.715 0.3 1
832 74 74 VAL CA C 61.583 0.3 1
833 74 74 VAL CB C 32.442 0.3 1
834 74 74 VAL CG1 C 22.670 0.3 1
835 74 74 VAL CG2 C 21.200 0.3 1
836 74 74 VAL N N 127.304 0.3 1
837 75 75 LEU H H 9.339 0.02 1
838 75 75 LEU HA H 5.065 0.02 1
839 75 75 LEU HB2 H 1.300 0.02 2
840 75 75 LEU HB3 H 2.000 0.02 2
841 75 75 LEU HG H 1.610 0.02 1
842 75 75 LEU HD1 H 0.670 0.02 2
843 75 75 LEU HD2 H 0.730 0.02 2
844 75 75 LEU C C 175.770 0.3 1
845 75 75 LEU CA C 53.350 0.3 1
846 75 75 LEU CB C 44.829 0.3 1
847 75 75 LEU CG C 26.110 0.3 1
848 75 75 LEU CD1 C 25.100 0.3 1
849 75 75 LEU CD2 C 24.900 0.3 1
850 75 75 LEU N N 126.975 0.3 1
851 76 76 THR H H 8.616 0.02 1
852 76 76 THR HA H 5.020 0.02 1
853 76 76 THR HB H 3.980 0.02 1
854 76 76 THR HG2 H 1.180 0.02 1
855 76 76 THR C C 174.912 0.3 1
856 76 76 THR CA C 61.985 0.3 1
857 76 76 THR CB C 68.942 0.3 1
858 76 76 THR CG2 C 21.780 0.3 1
859 76 76 THR N N 117.454 0.3 1
860 77 77 LEU H H 9.240 0.02 1
861 77 77 LEU HA H 4.590 0.02 1
862 77 77 LEU HB2 H 1.770 0.02 2
863 77 77 LEU HB3 H 1.280 0.02 2
864 77 77 LEU HG H 1.860 0.02 1
865 77 77 LEU HD1 H 0.650 0.02 2
866 77 77 LEU HD2 H 0.930 0.02 2
867 77 77 LEU C C 176.205 0.3 1
868 77 77 LEU CA C 53.882 0.3 1
869 77 77 LEU CB C 44.170 0.3 1
870 77 77 LEU CG C 26.900 0.3 1
871 77 77 LEU CD1 C 22.020 0.3 1
872 77 77 LEU CD2 C 26.080 0.3 1
873 77 77 LEU N N 126.389 0.3 1
874 78 78 ASP H H 8.540 0.02 1
875 78 78 ASP HA H 4.779 0.02 1
876 78 78 ASP HB2 H 2.090 0.02 2
877 78 78 ASP HB3 H 3.180 0.02 2
878 78 78 ASP C C 173.470 0.3 1
879 78 78 ASP CA C 52.477 0.3 1
880 78 78 ASP CB C 40.268 0.3 1
881 78 78 ASP N N 121.279 0.3 1
882 79 79 ARG H H 7.245 0.02 1
883 79 79 ARG HA H 4.721 0.02 1
884 79 79 ARG HB2 H 1.860 0.02 2
885 79 79 ARG HB3 H 1.790 0.02 2
886 79 79 ARG HG2 H 1.450 0.02 2
887 79 79 ARG HG3 H 1.520 0.02 2
888 79 79 ARG HD2 H 3.050 0.02 2
889 79 79 ARG HD3 H 2.870 0.02 2
890 79 79 ARG CA C 54.239 0.3 1
891 79 79 ARG CB C 33.613 0.3 1
892 79 79 ARG CG C 26.500 0.3 1
893 79 79 ARG CD C 44.270 0.3 1
894 79 79 ARG N N 119.133 0.3 1
895 80 80 ASN HA H 4.470 0.02 1
896 80 80 ASN HB2 H 2.700 0.02 1
897 80 80 ASN HB3 H 2.700 0.02 1
898 80 80 ASN HD21 H 6.920 0.02 2
899 80 80 ASN HD22 H 7.610 0.02 2
900 80 80 ASN C C 176.261 0.3 1
901 80 80 ASN CA C 55.551 0.3 1
902 80 80 ASN CB C 39.023 0.3 1
903 80 80 ASN CG C 176.370 0.3 1
904 80 80 ASN ND2 N 113.510 0.3 1
905 81 81 GLU H H 8.280 0.02 1
906 81 81 GLU HA H 3.990 0.02 1
907 81 81 GLU HB2 H 1.710 0.02 2
908 81 81 GLU HB3 H 1.690 0.02 2
909 81 81 GLU HG2 H 2.160 0.02 1
910 81 81 GLU HG3 H 2.160 0.02 1
911 81 81 GLU C C 175.235 0.3 1
912 81 81 GLU CA C 57.672 0.3 1
913 81 81 GLU CB C 30.227 0.3 1
914 81 81 GLU CG C 36.460 0.3 1
915 81 81 GLU N N 120.156 0.3 1
916 82 82 LYS H H 8.340 0.02 1
917 82 82 LYS HA H 4.210 0.02 1
918 82 82 LYS HB2 H 1.600 0.02 2
919 82 82 LYS HB3 H 1.740 0.02 2
920 82 82 LYS HG2 H 1.470 0.02 2
921 82 82 LYS HG3 H 1.420 0.02 2
922 82 82 LYS HD2 H 1.760 0.02 1
923 82 82 LYS HD3 H 1.760 0.02 1
924 82 82 LYS HE2 H 3.000 0.02 1
925 82 82 LYS HE3 H 3.000 0.02 1
926 82 82 LYS C C 177.372 0.3 1
927 82 82 LYS CA C 54.879 0.3 1
928 82 82 LYS CB C 35.124 0.3 1
929 82 82 LYS CG C 25.690 0.3 1
930 82 82 LYS CD C 29.430 0.3 1
931 82 82 LYS CE C 41.730 0.3 1
932 82 82 LYS N N 120.711 0.3 1
933 83 83 PHE H H 9.244 0.02 1
934 83 83 PHE HA H 4.694 0.02 1
935 83 83 PHE HB2 H 2.070 0.02 2
936 83 83 PHE HB3 H 2.880 0.02 2
937 83 83 PHE HD1 H 7.220 0.02 3
938 83 83 PHE HD2 H 7.240 0.02 3
939 83 83 PHE HE1 H 7.080 0.02 1
940 83 83 PHE HE2 H 7.080 0.02 1
941 83 83 PHE C C 176.078 0.3 1
942 83 83 PHE CA C 57.328 0.3 1
943 83 83 PHE CB C 39.892 0.3 1
944 83 83 PHE CD1 C 132.660 0.3 3
945 83 83 PHE CD2 C 132.620 0.3 3
946 83 83 PHE N N 121.886 0.3 1
947 84 84 ARG H H 8.790 0.02 1
948 84 84 ARG HA H 4.140 0.02 1
949 84 84 ARG HB2 H 1.830 0.02 2
950 84 84 ARG HB3 H 1.790 0.02 2
951 84 84 ARG HG2 H 1.460 0.02 2
952 84 84 ARG HG3 H 1.430 0.02 2
953 84 84 ARG HD2 H 3.130 0.02 1
954 84 84 ARG HD3 H 3.130 0.02 1
955 84 84 ARG C C 176.024 0.3 1
956 84 84 ARG CA C 56.641 0.3 1
957 84 84 ARG CB C 29.736 0.3 1
958 84 84 ARG CG C 26.670 0.3 1
959 84 84 ARG CD C 43.200 0.3 1
960 84 84 ARG N N 124.261 0.3 1
961 85 85 ASP H H 8.681 0.02 1
962 85 85 ASP HA H 5.129 0.02 1
963 85 85 ASP HB2 H 3.030 0.02 1
964 85 85 ASP HB3 H 3.030 0.02 1
965 85 85 ASP C C 178.746 0.3 1
966 85 85 ASP CA C 54.042 0.3 1
967 85 85 ASP CB C 40.425 0.3 1
968 85 85 ASP N N 126.135 0.3 1
969 86 86 ILE H H 8.942 0.02 1
970 86 86 ILE HA H 4.620 0.02 1
971 86 86 ILE HB H 2.630 0.02 1
972 86 86 ILE HG12 H 1.500 0.02 2
973 86 86 ILE HG13 H 1.470 0.02 2
974 86 86 ILE HG2 H 0.800 0.02 1
975 86 86 ILE HD1 H 0.800 0.02 1
976 86 86 ILE C C 177.707 0.3 1
977 86 86 ILE CA C 59.811 0.3 1
978 86 86 ILE CB C 38.291 0.3 1
979 86 86 ILE CG1 C 27.230 0.3 1
980 86 86 ILE CG2 C 20.030 0.3 1
981 86 86 ILE CD1 C 15.230 0.3 1
982 86 86 ILE N N 121.307 0.3 1
983 87 87 ARG H H 8.756 0.02 1
984 87 87 ARG HA H 3.630 0.02 1
985 87 87 ARG HB2 H 2.030 0.02 2
986 87 87 ARG HB3 H 1.720 0.02 2
987 87 87 ARG HD2 H 2.980 0.02 1
988 87 87 ARG HD3 H 2.980 0.02 1
989 87 87 ARG HE H 7.380 0.02 1
990 87 87 ARG C C 178.528 0.3 1
991 87 87 ARG CA C 60.819 0.3 1
992 87 87 ARG CB C 30.035 0.3 1
993 87 87 ARG CG C 28.840 0.3 1
994 87 87 ARG CD C 43.500 0.3 1
995 87 87 ARG N N 121.546 0.3 1
996 88 88 GLY H H 8.620 0.02 1
997 88 88 GLY HA2 H 3.790 0.02 2
998 88 88 GLY HA3 H 3.460 0.02 2
999 88 88 GLY C C 174.908 0.3 1
1000 88 88 GLY CA C 45.908 0.3 1
1001 88 88 GLY N N 103.224 0.3 1
1002 89 89 PHE H H 7.655 0.02 1
1003 89 89 PHE HA H 4.750 0.02 1
1004 89 89 PHE HB2 H 2.920 0.02 2
1005 89 89 PHE HB3 H 3.270 0.02 2
1006 89 89 PHE HD1 H 7.240 0.02 1
1007 89 89 PHE HD2 H 7.240 0.02 1
1008 89 89 PHE HE1 H 6.960 0.02 1
1009 89 89 PHE HE2 H 6.960 0.02 1
1010 89 89 PHE C C 176.377 0.3 1
1011 89 89 PHE CA C 56.341 0.3 1
1012 89 89 PHE CB C 39.564 0.3 1
1013 89 89 PHE CD1 C 131.410 0.3 1
1014 89 89 PHE CD2 C 131.410 0.3 1
1015 89 89 PHE N N 115.546 0.3 1
1016 90 90 ILE H H 7.437 0.02 1
1017 90 90 ILE HA H 4.260 0.02 1
1018 90 90 ILE HB H 1.860 0.02 1
1019 90 90 ILE HG12 H 0.740 0.02 2
1020 90 90 ILE HG13 H 1.960 0.02 2
1021 90 90 ILE HG2 H 0.750 0.02 1
1022 90 90 ILE HD1 H 0.850 0.02 1
1023 90 90 ILE C C 175.929 0.3 1
1024 90 90 ILE CA C 63.736 0.3 1
1025 90 90 ILE CB C 36.965 0.3 1
1026 90 90 ILE CG1 C 28.550 0.3 1
1027 90 90 ILE CG2 C 17.590 0.3 1
1028 90 90 ILE CD1 C 14.310 0.3 1
1029 90 90 ILE N N 122.101 0.3 1
1030 91 91 SER H H 8.430 0.02 1
1031 91 91 SER HA H 4.876 0.02 1
1032 91 91 SER HB2 H 3.880 0.02 2
1033 91 91 SER HB3 H 3.340 0.02 2
1034 91 91 SER C C 173.861 0.3 1
1035 91 91 SER CA C 56.667 0.3 1
1036 91 91 SER CB C 65.740 0.3 1
1037 91 91 SER N N 122.679 0.3 1
1038 92 92 GLU H H 8.945 0.02 1
1039 92 92 GLU HA H 4.559 0.02 1
1040 92 92 GLU HB2 H 2.400 0.02 2
1041 92 92 GLU HB3 H 2.340 0.02 2
1042 92 92 GLU HG2 H 2.060 0.02 2
1043 92 92 GLU HG3 H 2.350 0.02 2
1044 92 92 GLU C C 175.479 0.3 1
1045 92 92 GLU CA C 55.410 0.3 1
1046 92 92 GLU CB C 30.246 0.3 1
1047 92 92 GLU CG C 36.340 0.3 1
1048 92 92 GLU N N 124.285 0.3 1
1049 93 93 ASP H H 8.416 0.02 1
1050 93 93 ASP HA H 4.820 0.02 1
1051 93 93 ASP HB2 H 2.770 0.02 2
1052 93 93 ASP HB3 H 2.480 0.02 2
1053 93 93 ASP C C 174.282 0.3 1
1054 93 93 ASP CA C 53.609 0.3 1
1055 93 93 ASP CB C 39.897 0.3 1
1056 93 93 ASP N N 123.053 0.3 1
1057 94 94 LEU H H 7.691 0.02 1
1058 94 94 LEU HA H 3.770 0.02 1
1059 94 94 LEU HB2 H 0.870 0.02 2
1060 94 94 LEU HB3 H 1.020 0.02 2
1061 94 94 LEU HG H 1.350 0.02 1
1062 94 94 LEU HD1 H 0.590 0.02 2
1063 94 94 LEU HD2 H 0.500 0.02 2
1064 94 94 LEU C C 176.677 0.3 1
1065 94 94 LEU CA C 54.998 0.3 1
1066 94 94 LEU CB C 42.458 0.3 1
1067 94 94 LEU CG C 26.330 0.3 1
1068 94 94 LEU CD1 C 25.320 0.3 1
1069 94 94 LEU CD2 C 25.320 0.3 1
1070 94 94 LEU N N 120.265 0.3 1
1071 95 95 GLU H H 7.949 0.02 1
1072 95 95 GLU HA H 3.950 0.02 1
1073 95 95 GLU HB2 H 2.010 0.02 2
1074 95 95 GLU HB3 H 1.950 0.02 2
1075 95 95 GLU HG2 H 2.350 0.02 2
1076 95 95 GLU HG3 H 2.280 0.02 2
1077 95 95 GLU C C 178.769 0.3 1
1078 95 95 GLU CA C 58.652 0.3 1
1079 95 95 GLU CB C 29.264 0.3 1
1080 95 95 GLU CG C 35.760 0.3 1
1081 95 95 GLU N N 119.290 0.3 1
1082 96 96 GLY H H 8.919 0.02 1
1083 96 96 GLY HA2 H 4.060 0.02 2
1084 96 96 GLY HA3 H 3.730 0.02 2
1085 96 96 GLY C C 173.955 0.3 1
1086 96 96 GLY CA C 46.056 0.3 1
1087 96 96 GLY N N 113.444 0.3 1
1088 97 97 VAL H H 7.417 0.02 1
1089 97 97 VAL HA H 3.958 0.02 1
1090 97 97 VAL HB H 1.870 0.02 1
1091 97 97 VAL HG1 H 0.800 0.02 2
1092 97 97 VAL HG2 H 0.800 0.02 2
1093 97 97 VAL C C 175.151 0.3 1
1094 97 97 VAL CA C 62.019 0.3 1
1095 97 97 VAL CB C 33.185 0.3 1
1096 97 97 VAL CG1 C 21.850 0.3 1
1097 97 97 VAL CG2 C 21.850 0.3 1
1098 97 97 VAL N N 119.679 0.3 1
1099 98 98 ASP H H 8.279 0.02 1
1100 98 98 ASP HA H 4.341 0.02 1
1101 98 98 ASP HB2 H 2.610 0.02 2
1102 98 98 ASP HB3 H 2.520 0.02 2
1103 98 98 ASP C C 174.927 0.3 1
1104 98 98 ASP CA C 54.416 0.3 1
1105 98 98 ASP CB C 41.179 0.3 1
1106 98 98 ASP N N 126.697 0.3 1
1107 99 99 ALA H H 8.070 0.02 1
1108 99 99 ALA HA H 4.840 0.02 1
1109 99 99 ALA HB H 1.280 0.02 1
1110 99 99 ALA C C 176.088 0.3 1
1111 99 99 ALA CA C 51.149 0.3 1
1112 99 99 ALA CB C 23.302 0.3 1
1113 99 99 ALA N N 127.412 0.3 1
1114 100 100 THR H H 9.383 0.02 1
1115 100 100 THR HA H 4.960 0.02 1
1116 100 100 THR HB H 3.630 0.02 1
1117 100 100 THR HG2 H 0.950 0.02 1
1118 100 100 THR C C 171.774 0.3 1
1119 100 100 THR CA C 61.138 0.3 1
1120 100 100 THR CB C 72.315 0.3 1
1121 100 100 THR CG2 C 23.230 0.3 1
1122 100 100 THR N N 118.453 0.3 1
1123 101 101 LEU H H 9.459 0.02 1
1124 101 101 LEU HA H 5.143 0.02 1
1125 101 101 LEU HB2 H 1.390 0.02 2
1126 101 101 LEU HB3 H 0.720 0.02 2
1127 101 101 LEU HG H 0.950 0.02 1
1128 101 101 LEU HD1 H 0.600 0.02 2
1129 101 101 LEU HD2 H 0.370 0.02 2
1130 101 101 LEU C C 174.886 0.3 1
1131 101 101 LEU CA C 52.985 0.3 1
1132 101 101 LEU CB C 46.770 0.3 1
1133 101 101 LEU CG C 27.270 0.3 1
1134 101 101 LEU CD1 C 24.260 0.3 1
1135 101 101 LEU CD2 C 25.100 0.3 1
1136 101 101 LEU N N 127.577 0.3 1
1137 102 102 VAL H H 8.958 0.02 1
1138 102 102 VAL HA H 4.671 0.02 1
1139 102 102 VAL HB H 1.980 0.02 1
1140 102 102 VAL HG1 H 0.800 0.02 2
1141 102 102 VAL HG2 H 0.850 0.02 2
1142 102 102 VAL C C 174.229 0.3 1
1143 102 102 VAL CA C 61.658 0.3 1
1144 102 102 VAL CB C 32.697 0.3 1
1145 102 102 VAL CG1 C 22.790 0.3 1
1146 102 102 VAL CG2 C 22.790 0.3 1
1147 102 102 VAL N N 127.548 0.3 1
1148 103 103 VAL H H 9.536 0.02 1
1149 103 103 VAL HA H 4.144 0.02 1
1150 103 103 VAL HB H 1.930 0.02 1
1151 103 103 VAL HG1 H 1.260 0.02 2
1152 103 103 VAL HG2 H 0.660 0.02 2
1153 103 103 VAL C C 171.746 0.3 1
1154 103 103 VAL CA C 61.497 0.3 1
1155 103 103 VAL CB C 34.559 0.3 1
1156 103 103 VAL CG1 C 24.830 0.3 1
1157 103 103 VAL CG2 C 21.690 0.3 1
1158 103 103 VAL N N 128.672 0.3 1
1159 104 104 HIS H H 8.980 0.02 1
1160 104 104 HIS HA H 5.460 0.02 1
1161 104 104 HIS HB2 H 2.970 0.02 2
1162 104 104 HIS HB3 H 2.450 0.02 2
1163 104 104 HIS HD2 H 6.720 0.02 3
1164 104 104 HIS HE1 H 7.570 0.02 3
1165 104 104 HIS C C 172.030 0.3 1
1166 104 104 HIS CA C 55.040 0.3 1
1167 104 104 HIS CB C 32.750 0.3 1
1168 104 104 HIS CD2 C 116.500 0.3 1
1169 104 104 HIS CE1 C 138.250 0.3 1
1170 104 104 HIS N N 127.500 0.3 1
1171 105 105 SER H H 7.298 0.02 1
1172 105 105 SER HA H 4.110 0.02 1
1173 105 105 SER HB2 H 3.980 0.02 2
1174 105 105 SER HB3 H 3.500 0.02 2
1175 105 105 SER C C 172.817 0.3 1
1176 105 105 SER CA C 58.020 0.3 1
1177 105 105 SER CB C 63.166 0.3 1
1178 105 105 SER N N 111.203 0.3 1
1179 106 106 ASN H H 9.405 0.02 1
1180 106 106 ASN HA H 4.019 0.02 1
1181 106 106 ASN HB2 H 3.040 0.02 2
1182 106 106 ASN HB3 H 2.790 0.02 2
1183 106 106 ASN C C 174.027 0.3 1
1184 106 106 ASN CA C 55.464 0.3 1
1185 106 106 ASN CB C 38.134 0.3 1
1186 106 106 ASN N N 117.706 0.3 1
1187 107 107 ASN H H 8.410 0.02 1
1188 107 107 ASN HA H 4.540 0.02 1
1189 107 107 ASN HB2 H 2.360 0.02 2
1190 107 107 ASN HB3 H 2.450 0.02 2
1191 107 107 ASN HD21 H 7.400 0.02 2
1192 107 107 ASN HD22 H 6.510 0.02 2
1193 107 107 ASN C C 173.606 0.3 1
1194 107 107 ASN CA C 53.648 0.3 1
1195 107 107 ASN CB C 36.271 0.3 1
1196 107 107 ASN CG C 175.720 0.3 1
1197 107 107 ASN N N 117.125 0.3 1
1198 107 107 ASN ND2 N 109.780 0.3 1
1199 108 108 PHE H H 8.081 0.02 1
1200 108 108 PHE HA H 4.751 0.02 1
1201 108 108 PHE HB2 H 2.950 0.02 2
1202 108 108 PHE HB3 H 3.150 0.02 2
1203 108 108 PHE HD1 H 7.190 0.02 1
1204 108 108 PHE HD2 H 7.190 0.02 1
1205 108 108 PHE HE1 H 7.530 0.02 1
1206 108 108 PHE HE2 H 7.530 0.02 1
1207 108 108 PHE HZ H 6.940 0.02 1
1208 108 108 PHE C C 174.948 0.3 1
1209 108 108 PHE CA C 56.107 0.3 1
1210 108 108 PHE CB C 38.390 0.3 1
1211 108 108 PHE CD1 C 132.250 0.3 3
1212 108 108 PHE CD2 C 132.260 0.3 3
1213 108 108 PHE CE1 C 132.030 0.3 1
1214 108 108 PHE CE2 C 132.030 0.3 1
1215 108 108 PHE CZ C 128.930 0.3 1
1216 108 108 PHE N N 122.225 0.3 1
1217 109 109 THR H H 7.051 0.02 1
1218 109 109 THR HA H 4.330 0.02 1
1219 109 109 THR HB H 4.100 0.02 1
1220 109 109 THR HG2 H 0.820 0.02 1
1221 109 109 THR CA C 60.385 0.3 1
1222 109 109 THR CG2 C 21.960 0.3 1
1223 109 109 THR N N 107.974 0.3 1
1224 110 110 ASN HA H 4.290 0.02 1
1225 110 110 ASN HB2 H 2.740 0.02 1
1226 110 110 ASN HB3 H 2.740 0.02 1
1227 110 110 ASN HD21 H 7.660 0.02 2
1228 110 110 ASN HD22 H 6.880 0.02 2
1229 110 110 ASN C C 174.694 0.3 1
1230 110 110 ASN CA C 54.943 0.3 1
1231 110 110 ASN CB C 39.106 0.3 1
1232 110 110 ASN ND2 N 114.380 0.3 1
1233 111 111 THR H H 8.836 0.02 1
1234 111 111 THR HA H 4.381 0.02 1
1235 111 111 THR HB H 3.930 0.02 1
1236 111 111 THR HG2 H 1.110 0.02 1
1237 111 111 THR C C 171.531 0.3 1
1238 111 111 THR CA C 64.691 0.3 1
1239 111 111 THR CB C 71.254 0.3 1
1240 111 111 THR CG2 C 20.360 0.3 1
1241 111 111 THR N N 115.413 0.3 1
1242 112 112 ILE H H 8.500 0.02 1
1243 112 112 ILE HA H 4.548 0.02 1
1244 112 112 ILE HB H 1.740 0.02 1
1245 112 112 ILE HG12 H 0.770 0.02 2
1246 112 112 ILE HG13 H 1.500 0.02 2
1247 112 112 ILE HG2 H 0.650 0.02 1
1248 112 112 ILE HD1 H 0.770 0.02 1
1249 112 112 ILE C C 175.255 0.3 1
1250 112 112 ILE CA C 60.711 0.3 1
1251 112 112 ILE CB C 39.106 0.3 1
1252 112 112 ILE CG1 C 27.800 0.3 1
1253 112 112 ILE CG2 C 18.800 0.3 1
1254 112 112 ILE CD1 C 13.340 0.3 1
1255 112 112 ILE N N 127.808 0.3 1
1256 113 113 LEU H H 9.097 0.02 1
1257 113 113 LEU HA H 4.594 0.02 1
1258 113 113 LEU HB2 H 0.650 0.02 2
1259 113 113 LEU HB3 H 1.350 0.02 2
1260 113 113 LEU HG H 0.700 0.02 1
1261 113 113 LEU HD1 H 0.450 0.02 2
1262 113 113 LEU HD2 H 0.750 0.02 2
1263 113 113 LEU C C 175.774 0.3 1
1264 113 113 LEU CA C 52.722 0.3 1
1265 113 113 LEU CB C 43.637 0.3 1
1266 113 113 LEU CG C 24.630 0.3 1
1267 113 113 LEU CD1 C 24.930 0.3 1
1268 113 113 LEU CD2 C 22.320 0.3 1
1269 113 113 LEU N N 127.817 0.3 1
1270 114 114 GLU H H 8.518 0.02 1
1271 114 114 GLU HA H 4.717 0.02 1
1272 114 114 GLU HB2 H 2.080 0.02 2
1273 114 114 GLU HB3 H 1.900 0.02 2
1274 114 114 GLU HG2 H 2.180 0.02 2
1275 114 114 GLU HG3 H 2.290 0.02 2
1276 114 114 GLU C C 176.465 0.3 1
1277 114 114 GLU CA C 55.124 0.3 1
1278 114 114 GLU CB C 27.842 0.3 1
1279 114 114 GLU CG C 34.910 0.3 1
1280 114 114 GLU N N 123.089 0.3 1
1281 115 115 VAL H H 7.292 0.02 1
1282 115 115 VAL HA H 4.187 0.02 1
1283 115 115 VAL HB H 2.040 0.02 1
1284 115 115 VAL HG1 H -0.030 0.02 1
1285 115 115 VAL HG2 H 0.060 0.02 1
1286 115 115 VAL C C 175.797 0.3 1
1287 115 115 VAL CA C 61.226 0.3 1
1288 115 115 VAL CB C 32.324 0.3 1
1289 115 115 VAL CG1 C 21.370 0.3 1
1290 115 115 VAL CG2 C 17.780 0.3 1
1291 115 115 VAL N N 114.513 0.3 1
1292 116 116 GLY H H 7.837 0.02 1
1293 116 116 GLY HA2 H 4.431 0.02 2
1294 116 116 GLY HA3 H 3.819 0.02 2
1295 116 116 GLY CA C 45.192 0.3 1
1296 116 116 GLY N N 109.758 0.3 1
1297 117 117 PRO HA H 4.810 0.02 1
1298 117 117 PRO HB2 H 2.190 0.02 2
1299 117 117 PRO HB3 H 1.850 0.02 2
1300 117 117 PRO HG2 H 2.050 0.02 2
1301 117 117 PRO HG3 H 2.110 0.02 2
1302 117 117 PRO HD2 H 3.840 0.02 2
1303 117 117 PRO HD3 H 3.670 0.02 2
1304 117 117 PRO C C 178.263 0.3 1
1305 117 117 PRO CA C 62.488 0.3 1
1306 117 117 PRO CB C 32.371 0.3 1
1307 117 117 PRO CG C 27.540 0.3 1
1308 117 117 PRO CD C 49.850 0.3 1
1309 118 118 VAL H H 8.252 0.02 1
1310 118 118 VAL HA H 5.320 0.02 1
1311 118 118 VAL HB H 1.930 0.02 1
1312 118 118 VAL HG1 H 0.880 0.02 1
1313 118 118 VAL HG2 H 0.620 0.02 1
1314 118 118 VAL C C 174.657 0.3 1
1315 118 118 VAL CA C 58.669 0.3 1
1316 118 118 VAL CB C 34.405 0.3 1
1317 118 118 VAL CG1 C 23.880 0.3 1
1318 118 118 VAL CG2 C 19.070 0.3 1
1319 118 118 VAL N N 115.100 0.3 1
1320 119 119 THR H H 8.270 0.02 1
1321 119 119 THR HA H 4.590 0.02 1
1322 119 119 THR HB H 3.850 0.02 1
1323 119 119 THR HG2 H 1.020 0.02 1
1324 119 119 THR C C 172.453 0.3 1
1325 119 119 THR CA C 59.785 0.3 1
1326 119 119 THR CB C 71.124 0.3 1
1327 119 119 THR CG2 C 19.650 0.3 1
1328 119 119 THR N N 113.261 0.3 1
1329 120 120 MET H H 8.988 0.02 1
1330 120 120 MET HA H 4.711 0.02 1
1331 120 120 MET HB2 H 2.200 0.02 2
1332 120 120 MET HB3 H 1.950 0.02 2
1333 120 120 MET HG2 H 2.710 0.02 2
1334 120 120 MET HG3 H 2.340 0.02 2
1335 120 120 MET C C 175.079 0.3 1
1336 120 120 MET CA C 55.408 0.3 1
1337 120 120 MET CB C 30.112 0.3 1
1338 120 120 MET CG C 31.420 0.3 1
1339 120 120 MET N N 126.138 0.3 1
1340 121 121 ALA H H 9.368 0.02 1
1341 121 121 ALA HA H 4.501 0.02 1
1342 121 121 ALA HB H 1.340 0.02 1
1343 121 121 ALA C C 178.141 0.3 1
1344 121 121 ALA CA C 52.543 0.3 1
1345 121 121 ALA CB C 19.980 0.3 1
1346 121 121 ALA N N 132.626 0.3 1
1347 122 122 GLY H H 8.232 0.02 1
1348 122 122 GLY HA2 H 4.210 0.02 2
1349 122 122 GLY HA3 H 3.562 0.02 2
1350 122 122 GLY C C 171.472 0.3 1
1351 122 122 GLY CA C 46.443 0.3 1
1352 122 122 GLY N N 107.215 0.3 1
1353 123 123 LEU H H 8.011 0.02 1
1354 123 123 LEU HA H 4.920 0.02 1
1355 123 123 LEU HB2 H 1.360 0.02 2
1356 123 123 LEU HB3 H 1.690 0.02 2
1357 123 123 LEU HG H 1.320 0.02 1
1358 123 123 LEU HD1 H 0.740 0.02 2
1359 123 123 LEU HD2 H 0.780 0.02 2
1360 123 123 LEU C C 177.017 0.3 1
1361 123 123 LEU CA C 55.210 0.3 1
1362 123 123 LEU CB C 43.682 0.3 1
1363 123 123 LEU CG C 26.790 0.3 1
1364 123 123 LEU CD1 C 24.930 0.3 1
1365 123 123 LEU CD2 C 25.520 0.3 1
1366 123 123 LEU N N 128.252 0.3 1
1367 124 124 ILE H H 8.862 0.02 1
1368 124 124 ILE HA H 4.500 0.02 1
1369 124 124 ILE HB H 1.350 0.02 1
1370 124 124 ILE HG12 H 0.730 0.02 2
1371 124 124 ILE HG13 H 0.660 0.02 2
1372 124 124 ILE HG2 H 0.180 0.02 1
1373 124 124 ILE HD1 H -0.060 0.02 1
1374 124 124 ILE C C 173.765 0.3 1
1375 124 124 ILE CA C 57.944 0.3 1
1376 124 124 ILE CB C 41.156 0.3 1
1377 124 124 ILE CG1 C 25.100 0.3 2
1378 124 124 ILE CG2 C 15.980 0.3 1
1379 124 124 ILE CD1 C 12.590 0.3 1
1380 124 124 ILE N N 123.084 0.3 1
1381 125 125 ASN H H 8.187 0.02 1
1382 125 125 ASN HA H 4.610 0.02 1
1383 125 125 ASN HB2 H 2.580 0.02 2
1384 125 125 ASN HB3 H 2.470 0.02 2
1385 125 125 ASN C C 173.414 0.3 1
1386 125 125 ASN CA C 52.499 0.3 1
1387 125 125 ASN CB C 38.854 0.3 1
1388 125 125 ASN N N 120.611 0.3 1
1389 126 126 LEU H H 7.936 0.02 1
1390 126 126 LEU HA H 4.404 0.02 1
1391 126 126 LEU HB2 H 0.940 0.02 2
1392 126 126 LEU HB3 H 1.640 0.02 2
1393 126 126 LEU HG H 1.120 0.02 1
1394 126 126 LEU HD1 H 0.580 0.02 2
1395 126 126 LEU HD2 H 0.750 0.02 2
1396 126 126 LEU C C 174.872 0.3 1
1397 126 126 LEU CA C 52.660 0.3 1
1398 126 126 LEU CB C 42.320 0.3 1
1399 126 126 LEU CG C 27.120 0.3 1
1400 126 126 LEU CD1 C 24.750 0.3 1
1401 126 126 LEU CD2 C 26.310 0.3 1
1402 126 126 LEU N N 128.200 0.3 1
1403 127 127 SER H H 9.509 0.02 1
1404 127 127 SER HA H 3.825 0.02 1
1405 127 127 SER HB2 H 3.820 0.02 2
1406 127 127 SER HB3 H 3.910 0.02 2
1407 127 127 SER C C 175.653 0.3 1
1408 127 127 SER CA C 60.714 0.3 1
1409 127 127 SER CB C 62.720 0.3 1
1410 127 127 SER N N 124.859 0.3 1
1411 128 128 SER H H 8.434 0.02 1
1412 128 128 SER HA H 4.023 0.02 1
1413 128 128 SER HB2 H 4.120 0.02 2
1414 128 128 SER HB3 H 4.150 0.02 2
1415 128 128 SER C C 173.398 0.3 1
1416 128 128 SER CA C 60.721 0.3 1
1417 128 128 SER CB C 62.336 0.3 1
1418 128 128 SER N N 107.916 0.3 1
1419 129 129 THR H H 7.967 0.02 1
1420 129 129 THR HA H 4.710 0.02 1
1421 129 129 THR HB H 4.320 0.02 1
1422 129 129 THR HG2 H 1.230 0.02 1
1423 129 129 THR CA C 59.968 0.3 1
1424 129 129 THR CB C 70.459 0.3 1
1425 129 129 THR CG2 C 21.040 0.3 1
1426 129 129 THR N N 118.928 0.3 1
1427 130 130 PRO HA H 4.410 0.02 1
1428 130 130 PRO HB2 H 1.940 0.02 2
1429 130 130 PRO HB3 H 2.400 0.02 2
1430 130 130 PRO HG2 H 2.050 0.02 1
1431 130 130 PRO HG3 H 2.050 0.02 1
1432 130 130 PRO HD2 H 3.880 0.02 1
1433 130 130 PRO HD3 H 3.880 0.02 1
1434 130 130 PRO C C 175.815 0.3 1
1435 130 130 PRO CA C 64.077 0.3 1
1436 130 130 PRO CB C 31.644 0.3 1
1437 130 130 PRO CG C 27.250 0.3 1
1438 130 130 PRO CD C 49.650 0.3 1
1439 131 131 THR H H 9.190 0.02 1
1440 131 131 THR HA H 5.231 0.02 1
1441 131 131 THR HB H 3.800 0.02 1
1442 131 131 THR HG2 H 1.210 0.02 1
1443 131 131 THR C C 171.747 0.3 1
1444 131 131 THR CA C 62.445 0.3 1
1445 131 131 THR CB C 73.056 0.3 1
1446 131 131 THR CG2 C 22.560 0.3 1
1447 131 131 THR N N 123.890 0.3 1
1448 132 132 ASN H H 8.195 0.02 1
1449 132 132 ASN HA H 5.400 0.02 1
1450 132 132 ASN HB2 H 2.720 0.02 2
1451 132 132 ASN HB3 H 2.420 0.02 2
1452 132 132 ASN HD21 H 6.900 0.02 2
1453 132 132 ASN HD22 H 7.560 0.02 2
1454 132 132 ASN C C 173.791 0.3 1
1455 132 132 ASN CA C 49.794 0.3 1
1456 132 132 ASN CB C 41.884 0.3 1
1457 132 132 ASN CG C 177.030 0.3 1
1458 132 132 ASN N N 123.904 0.3 1
1459 132 132 ASN ND2 N 112.370 0.3 1
1460 133 133 ARG H H 8.106 0.02 1
1461 133 133 ARG HA H 3.780 0.02 1
1462 133 133 ARG HB2 H 2.240 0.02 1
1463 133 133 ARG HB3 H 2.240 0.02 1
1464 133 133 ARG HD2 H 3.240 0.02 2
1465 133 133 ARG HD3 H 3.260 0.02 2
1466 133 133 ARG C C 173.151 0.3 1
1467 133 133 ARG CA C 57.412 0.3 1
1468 133 133 ARG CB C 27.021 0.3 1
1469 133 133 ARG CG C 28.400 0.3 1
1470 133 133 ARG CD C 44.200 0.3 1
1471 133 133 ARG N N 111.640 0.3 1
1472 134 134 MET H H 8.409 0.02 1
1473 134 134 MET HA H 5.151 0.02 1
1474 134 134 MET HB2 H 1.870 0.02 2
1475 134 134 MET HB3 H 1.570 0.02 2
1476 134 134 MET HG2 H 2.340 0.02 2
1477 134 134 MET HG3 H 2.240 0.02 2
1478 134 134 MET HE H 1.940 0.02 1
1479 134 134 MET C C 176.586 0.3 1
1480 134 134 MET CA C 54.668 0.3 1
1481 134 134 MET CB C 38.097 0.3 1
1482 134 134 MET CG C 32.090 0.3 1
1483 134 134 MET CE C 20.070 0.3 1
1484 134 134 MET N N 113.252 0.3 1
1485 135 135 ILE H H 9.901 0.02 1
1486 135 135 ILE HA H 4.585 0.02 1
1487 135 135 ILE HB H 1.670 0.02 1
1488 135 135 ILE HG12 H 0.950 0.02 2
1489 135 135 ILE HG13 H 1.850 0.02 2
1490 135 135 ILE HG2 H 0.890 0.02 1
1491 135 135 ILE HD1 H 0.830 0.02 1
1492 135 135 ILE C C 174.446 0.3 1
1493 135 135 ILE CA C 60.931 0.3 1
1494 135 135 ILE CB C 40.970 0.3 1
1495 135 135 ILE CG1 C 27.690 0.3 1
1496 135 135 ILE CG2 C 18.550 0.3 1
1497 135 135 ILE CD1 C 15.710 0.3 1
1498 135 135 ILE N N 126.089 0.3 1
1499 136 136 ARG H H 9.473 0.02 1
1500 136 136 ARG HA H 5.093 0.02 1
1501 136 136 ARG HB2 H 1.600 0.02 2
1502 136 136 ARG HB3 H 1.300 0.02 2
1503 136 136 ARG HG2 H 1.220 0.02 2
1504 136 136 ARG HG3 H 0.770 0.02 2
1505 136 136 ARG HD2 H 2.860 0.02 1
1506 136 136 ARG HD3 H 2.860 0.02 1
1507 136 136 ARG C C 174.452 0.3 1
1508 136 136 ARG CA C 54.105 0.3 1
1509 136 136 ARG CB C 35.664 0.3 1
1510 136 136 ARG CG C 26.540 0.3 1
1511 136 136 ARG CD C 43.970 0.3 1
1512 136 136 ARG N N 127.687 0.3 1
1513 137 137 TYR H H 7.450 0.02 1
1514 137 137 TYR HA H 4.892 0.02 1
1515 137 137 TYR HB2 H 3.140 0.02 2
1516 137 137 TYR HB3 H 2.570 0.02 2
1517 137 137 TYR HD1 H 6.640 0.02 3
1518 137 137 TYR HD2 H 6.630 0.02 3
1519 137 137 TYR HE1 H 6.630 0.02 3
1520 137 137 TYR HE2 H 6.640 0.02 3
1521 137 137 TYR C C 176.245 0.3 1
1522 137 137 TYR CA C 52.584 0.3 1
1523 137 137 TYR CB C 38.301 0.3 1
1524 137 137 TYR CD1 C 133.280 0.3 1
1525 137 137 TYR CD2 C 133.280 0.3 1
1526 137 137 TYR CE1 C 117.740 0.3 1
1527 137 137 TYR CE2 C 117.740 0.3 1
1528 137 137 TYR N N 120.681 0.3 1
1529 138 138 ASP H H 9.589 0.02 1
1530 138 138 ASP HA H 4.985 0.02 1
1531 138 138 ASP HB2 H 2.750 0.02 1
1532 138 138 ASP HB3 H 2.750 0.02 1
1533 138 138 ASP C C 173.642 0.3 1
1534 138 138 ASP CA C 53.673 0.3 1
1535 138 138 ASP CB C 39.556 0.3 1
1536 138 138 ASP N N 126.810 0.3 1
1537 139 139 TYR H H 7.620 0.02 1
1538 139 139 TYR HA H 4.384 0.02 1
1539 139 139 TYR HB2 H 3.180 0.02 2
1540 139 139 TYR HB3 H 2.650 0.02 2
1541 139 139 TYR HD1 H 6.980 0.02 1
1542 139 139 TYR HD2 H 6.980 0.02 1
1543 139 139 TYR HE1 H 6.680 0.02 1
1544 139 139 TYR HE2 H 6.680 0.02 1
1545 139 139 TYR C C 173.358 0.3 1
1546 139 139 TYR CA C 57.761 0.3 1
1547 139 139 TYR CB C 43.458 0.3 1
1548 139 139 TYR CD1 C 133.640 0.3 1
1549 139 139 TYR CD2 C 133.640 0.3 1
1550 139 139 TYR CE1 C 117.790 0.3 1
1551 139 139 TYR CE2 C 117.790 0.3 1
1552 139 139 TYR N N 122.752 0.3 1
1553 140 140 ALA H H 7.390 0.02 1
1554 140 140 ALA HA H 4.030 0.02 1
1555 140 140 ALA HB H 1.030 0.02 1
1556 140 140 ALA C C 175.653 0.3 1
1557 140 140 ALA CA C 50.581 0.3 1
1558 140 140 ALA CB C 16.814 0.3 1
1559 140 140 ALA N N 129.395 0.3 1
1560 141 141 THR H H 7.869 0.02 1
1561 141 141 THR HA H 4.242 0.02 1
1562 141 141 THR HB H 3.940 0.02 1
1563 141 141 THR HG2 H 1.130 0.02 1
1564 141 141 THR C C 175.717 0.3 1
1565 141 141 THR CA C 62.983 0.3 1
1566 141 141 THR CB C 69.420 0.3 1
1567 141 141 THR CG2 C 22.230 0.3 1
1568 141 141 THR N N 117.124 0.3 1
1569 142 142 LYS H H 7.754 0.02 1
1570 142 142 LYS HA H 4.700 0.02 1
1571 142 142 LYS HB2 H 2.090 0.02 2
1572 142 142 LYS HB3 H 1.200 0.02 2
1573 142 142 LYS HG2 H 1.440 0.02 2
1574 142 142 LYS HG3 H 1.320 0.02 2
1575 142 142 LYS HD2 H 1.740 0.02 2
1576 142 142 LYS HD3 H 1.690 0.02 2
1577 142 142 LYS HE2 H 3.040 0.02 1
1578 142 142 LYS HE3 H 3.040 0.02 1
1579 142 142 LYS C C 176.162 0.3 1
1580 142 142 LYS CA C 54.558 0.3 1
1581 142 142 LYS CB C 37.771 0.3 1
1582 142 142 LYS CG C 24.570 0.3 1
1583 142 142 LYS CD C 29.090 0.3 1
1584 142 142 LYS CE C 42.270 0.3 1
1585 142 142 LYS N N 120.080 0.3 1
1586 143 143 THR H H 8.304 0.02 1
1587 143 143 THR HA H 3.800 0.02 1
1588 143 143 THR HB H 4.210 0.02 1
1589 143 143 THR HG2 H 1.410 0.02 1
1590 143 143 THR C C 174.577 0.3 1
1591 143 143 THR CA C 65.294 0.3 1
1592 143 143 THR CB C 69.394 0.3 1
1593 143 143 THR CG2 C 21.940 0.3 1
1594 143 143 THR N N 113.328 0.3 1
1595 144 144 GLY H H 8.068 0.02 1
1596 144 144 GLY HA2 H 4.030 0.02 2
1597 144 144 GLY HA3 H 4.630 0.02 2
1598 144 144 GLY C C 176.000 0.3 1
1599 144 144 GLY CA C 45.226 0.3 1
1600 144 144 GLY N N 109.682 0.3 1
1601 145 145 GLN H H 7.294 0.02 1
1602 145 145 GLN HA H 4.330 0.02 1
1603 145 145 GLN HB2 H 1.850 0.02 2
1604 145 145 GLN HB3 H 2.120 0.02 2
1605 145 145 GLN HG2 H 2.300 0.02 2
1606 145 145 GLN HG3 H 2.360 0.02 1
1607 145 145 GLN HE21 H 6.900 0.02 2
1608 145 145 GLN HE22 H 8.170 0.02 2
1609 145 145 GLN C C 176.366 0.3 1
1610 145 145 GLN CA C 54.633 0.3 1
1611 145 145 GLN CB C 27.834 0.3 1
1612 145 145 GLN CG C 34.320 0.3 1
1613 145 145 GLN N N 115.100 0.3 1
1614 145 145 GLN NE2 N 109.920 0.3 1
1615 146 146 CYS H H 7.849 0.02 1
1616 146 146 CYS HA H 4.661 0.02 1
1617 146 146 CYS HB2 H 3.540 0.02 2
1618 146 146 CYS HB3 H 3.300 0.02 2
1619 146 146 CYS C C 175.680 0.3 1
1620 146 146 CYS CA C 63.274 0.3 1
1621 146 146 CYS CB C 36.200 0.3 1
1622 146 146 CYS N N 114.082 0.3 1
1623 147 147 GLY H H 10.640 0.02 1
1624 147 147 GLY HA2 H 3.600 0.02 2
1625 147 147 GLY HA3 H 5.820 0.02 2
1626 147 147 GLY C C 172.130 0.3 1
1627 147 147 GLY CA C 45.070 0.3 1
1628 147 147 GLY N N 115.000 0.3 1
1629 148 148 GLY H H 8.059 0.02 1
1630 148 148 GLY HA2 H 4.370 0.02 2
1631 148 148 GLY HA3 H 3.350 0.02 2
1632 148 148 GLY C C 171.756 0.3 1
1633 148 148 GLY CA C 46.395 0.3 1
1634 148 148 GLY N N 103.162 0.3 1
1635 149 149 VAL H H 9.329 0.02 1
1636 149 149 VAL HA H 4.310 0.02 1
1637 149 149 VAL HB H 1.980 0.02 1
1638 149 149 VAL HG1 H 0.880 0.02 1
1639 149 149 VAL HG2 H 1.100 0.02 1
1640 149 149 VAL C C 174.455 0.3 1
1641 149 149 VAL CA C 63.117 0.3 1
1642 149 149 VAL CB C 34.135 0.3 1
1643 149 149 VAL CG1 C 22.460 0.3 1
1644 149 149 VAL CG2 C 23.830 0.3 1
1645 149 149 VAL N N 124.413 0.3 1
1646 150 150 LEU H H 8.949 0.02 1
1647 150 150 LEU HA H 5.083 0.02 1
1648 150 150 LEU HB2 H 1.420 0.02 2
1649 150 150 LEU HB3 H 1.800 0.02 2
1650 150 150 LEU HG H 0.950 0.02 1
1651 150 150 LEU HD1 H 0.240 0.02 2
1652 150 150 LEU HD2 H 0.240 0.02 2
1653 150 150 LEU C C 176.421 0.3 1
1654 150 150 LEU CA C 54.067 0.3 1
1655 150 150 LEU CB C 42.902 0.3 1
1656 150 150 LEU CG C 26.590 0.3 1
1657 150 150 LEU CD1 C 23.950 0.3 1
1658 150 150 LEU CD2 C 23.680 0.3 1
1659 150 150 LEU N N 132.862 0.3 1
1660 151 151 CYS H H 10.054 0.02 1
1661 151 151 CYS HA H 5.114 0.02 1
1662 151 151 CYS HB2 H 3.210 0.02 2
1663 151 151 CYS HB3 H 2.920 0.02 2
1664 151 151 CYS C C 170.554 0.3 1
1665 151 151 CYS CA C 56.363 0.3 1
1666 151 151 CYS CB C 33.261 0.3 1
1667 151 151 CYS N N 124.323 0.3 1
1668 152 152 ALA H H 8.975 0.02 1
1669 152 152 ALA HA H 4.392 0.02 1
1670 152 152 ALA HB H 1.440 0.02 1
1671 152 152 ALA C C 175.890 0.3 1
1672 152 152 ALA CA C 51.356 0.3 1
1673 152 152 ALA CB C 22.354 0.3 1
1674 152 152 ALA N N 119.316 0.3 1
1675 153 153 THR H H 8.123 0.02 1
1676 153 153 THR HA H 3.150 0.02 1
1677 153 153 THR HB H 3.980 0.02 1
1678 153 153 THR HG2 H 1.110 0.02 1
1679 153 153 THR CA C 66.198 0.3 1
1680 153 153 THR CB C 68.554 0.3 1
1681 153 153 THR CG2 C 21.430 0.3 1
1682 153 153 THR N N 114.823 0.3 1
1683 154 154 GLY HA2 H 2.670 0.02 2
1684 154 154 GLY HA3 H 3.730 0.02 2
1685 154 154 GLY C C 172.123 0.3 1
1686 154 154 GLY CA C 46.083 0.3 1
1687 155 155 LYS H H 7.673 0.02 1
1688 155 155 LYS HA H 5.070 0.02 1
1689 155 155 LYS HB2 H 0.980 0.02 2
1690 155 155 LYS HB3 H 0.800 0.02 2
1691 155 155 LYS HG2 H 1.220 0.02 2
1692 155 155 LYS HG3 H 0.750 0.02 2
1693 155 155 LYS HD2 H 1.880 0.02 2
1694 155 155 LYS HD3 H 1.510 0.02 2
1695 155 155 LYS HE2 H 3.040 0.02 1
1696 155 155 LYS HE3 H 3.040 0.02 1
1697 155 155 LYS C C 177.480 0.3 1
1698 155 155 LYS CA C 55.208 0.3 1
1699 155 155 LYS CB C 39.180 0.3 1
1700 155 155 LYS CG C 25.530 0.3 1
1701 155 155 LYS CD C 30.370 0.3 1
1702 155 155 LYS CE C 42.570 0.3 1
1703 155 155 LYS N N 118.656 0.3 1
1704 156 156 ILE H H 8.302 0.02 1
1705 156 156 ILE HA H 3.970 0.02 1
1706 156 156 ILE HB H 1.330 0.02 1
1707 156 156 ILE HG12 H 1.460 0.02 2
1708 156 156 ILE HG13 H 1.490 0.02 2
1709 156 156 ILE HG2 H 0.790 0.02 1
1710 156 156 ILE HD1 H 0.960 0.02 1
1711 156 156 ILE C C 174.471 0.3 1
1712 156 156 ILE CA C 60.908 0.3 1
1713 156 156 ILE CB C 40.732 0.3 1
1714 156 156 ILE CG1 C 27.540 0.3 1
1715 156 156 ILE CG2 C 17.810 0.3 1
1716 156 156 ILE CD1 C 15.730 0.3 1
1717 156 156 ILE N N 121.117 0.3 1
1718 157 157 PHE H H 8.840 0.02 1
1719 157 157 PHE HA H 5.529 0.02 1
1720 157 157 PHE HB2 H 3.300 0.02 2
1721 157 157 PHE HB3 H 2.490 0.02 2
1722 157 157 PHE HD1 H 7.130 0.02 1
1723 157 157 PHE HD2 H 7.130 0.02 1
1724 157 157 PHE HE1 H 6.980 0.02 1
1725 157 157 PHE HE2 H 6.980 0.02 1
1726 157 157 PHE HZ H 7.600 0.02 1
1727 157 157 PHE C C 177.698 0.3 1
1728 157 157 PHE CA C 56.869 0.3 1
1729 157 157 PHE CB C 42.267 0.3 1
1730 157 157 PHE CD1 C 130.790 0.3 1
1731 157 157 PHE CD2 C 130.790 0.3 1
1732 157 157 PHE CE1 C 130.790 0.3 1
1733 157 157 PHE CE2 C 130.790 0.3 1
1734 157 157 PHE N N 122.208 0.3 1
1735 158 158 GLY H H 7.793 0.02 1
1736 158 158 GLY HA2 H 4.820 0.02 2
1737 158 158 GLY HA3 H 4.210 0.02 2
1738 158 158 GLY C C 170.285 0.3 1
1739 158 158 GLY CA C 47.787 0.3 1
1740 158 158 GLY N N 103.477 0.3 1
1741 159 159 ILE H H 8.537 0.02 1
1742 159 159 ILE HA H 5.642 0.02 1
1743 159 159 ILE HB H 1.900 0.02 1
1744 159 159 ILE HG12 H 1.230 0.02 2
1745 159 159 ILE HG13 H 1.570 0.02 2
1746 159 159 ILE HG2 H 1.000 0.02 1
1747 159 159 ILE HD1 H 0.880 0.02 1
1748 159 159 ILE C C 175.442 0.3 1
1749 159 159 ILE CA C 57.443 0.3 1
1750 159 159 ILE CB C 41.781 0.3 1
1751 159 159 ILE CG1 C 26.130 0.3 2
1752 159 159 ILE CG2 C 18.480 0.3 1
1753 159 159 ILE CD1 C 13.010 0.3 1
1754 159 159 ILE N N 114.808 0.3 1
1755 160 160 HIS H H 10.467 0.02 1
1756 160 160 HIS HA H 4.750 0.02 1
1757 160 160 HIS HB2 H 3.270 0.02 2
1758 160 160 HIS HB3 H 3.180 0.02 2
1759 160 160 HIS HD2 H 6.730 0.02 3
1760 160 160 HIS HE1 H 8.400 0.02 3
1761 160 160 HIS C C 177.635 0.3 1
1762 160 160 HIS CA C 60.025 0.3 1
1763 160 160 HIS CB C 31.760 0.3 1
1764 160 160 HIS CD2 C 115.800 0.3 1
1765 160 160 HIS CE1 C 141.370 0.3 1
1766 160 160 HIS N N 125.828 0.3 1
1767 161 161 VAL H H 9.294 0.02 1
1768 161 161 VAL HA H 5.201 0.02 1
1769 161 161 VAL HB H 2.720 0.02 1
1770 161 161 VAL HG1 H 1.300 0.02 2
1771 161 161 VAL HG2 H 0.730 0.02 2
1772 161 161 VAL C C 175.777 0.3 1
1773 161 161 VAL CA C 61.472 0.3 1
1774 161 161 VAL CB C 35.711 0.3 1
1775 161 161 VAL CG1 C 21.930 0.3 1
1776 161 161 VAL CG2 C 20.100 0.3 1
1777 161 161 VAL N N 117.925 0.3 1
1778 162 162 GLY H H 7.277 0.02 1
1779 162 162 GLY HA2 H 3.663 0.02 2
1780 162 162 GLY HA3 H 4.940 0.02 2
1781 162 162 GLY C C 170.441 0.3 1
1782 162 162 GLY CA C 46.560 0.3 1
1783 162 162 GLY N N 105.761 0.3 1
1784 163 163 GLY H H 8.676 0.02 1
1785 163 163 GLY HA2 H 4.320 0.02 2
1786 163 163 GLY HA3 H 4.870 0.02 2
1787 163 163 GLY C C 172.896 0.3 1
1788 163 163 GLY CA C 46.896 0.3 1
1789 163 163 GLY N N 103.578 0.3 1
1790 164 164 ASN H H 8.156 0.02 1
1791 164 164 ASN HA H 5.374 0.02 1
1792 164 164 ASN HB2 H 2.770 0.02 2
1793 164 164 ASN HB3 H 3.560 0.02 2
1794 164 164 ASN C C 175.809 0.3 1
1795 164 164 ASN CA C 51.867 0.3 1
1796 164 164 ASN CB C 40.117 0.3 1
1797 164 164 ASN N N 117.352 0.3 1
1798 165 165 GLY H H 9.130 0.02 1
1799 165 165 GLY HA2 H 3.650 0.02 2
1800 165 165 GLY HA3 H 4.660 0.02 2
1801 165 165 GLY C C 174.336 0.3 1
1802 165 165 GLY CA C 45.458 0.3 1
1803 165 165 GLY N N 111.578 0.3 1
1804 166 166 ARG H H 7.744 0.02 1
1805 166 166 ARG HA H 4.401 0.02 1
1806 166 166 ARG HB2 H 1.830 0.02 2
1807 166 166 ARG HB3 H 1.670 0.02 2
1808 166 166 ARG HG2 H 1.540 0.02 1
1809 166 166 ARG HG3 H 1.540 0.02 1
1810 166 166 ARG HD2 H 3.140 0.02 1
1811 166 166 ARG HD3 H 3.140 0.02 1
1812 166 166 ARG C C 174.081 0.3 1
1813 166 166 ARG CA C 56.488 0.3 1
1814 166 166 ARG CB C 32.818 0.3 1
1815 166 166 ARG CG C 27.160 0.3 1
1816 166 166 ARG CD C 43.070 0.3 1
1817 166 166 ARG N N 117.491 0.3 1
1818 167 167 GLN H H 8.431 0.02 1
1819 167 167 GLN HA H 4.965 0.02 1
1820 167 167 GLN HB2 H 1.970 0.02 2
1821 167 167 GLN HB3 H 2.050 0.02 2
1822 167 167 GLN HG2 H 2.080 0.02 2
1823 167 167 GLN HG3 H 2.440 0.02 2
1824 167 167 GLN HE21 H 7.830 0.02 2
1825 167 167 GLN HE22 H 6.630 0.02 2
1826 167 167 GLN C C 175.438 0.3 1
1827 167 167 GLN CA C 54.361 0.3 1
1828 167 167 GLN CB C 32.909 0.3 1
1829 167 167 GLN CG C 34.580 0.3 1
1830 167 167 GLN CD C 180.420 0.3 1
1831 167 167 GLN N N 117.029 0.3 1
1832 167 167 GLN NE2 N 112.630 0.3 1
1833 168 168 GLY H H 8.562 0.02 1
1834 168 168 GLY HA2 H 3.660 0.02 2
1835 168 168 GLY HA3 H 5.100 0.02 2
1836 168 168 GLY C C 169.542 0.3 1
1837 168 168 GLY CA C 44.596 0.3 1
1838 168 168 GLY N N 109.774 0.3 1
1839 169 169 PHE H H 8.264 0.02 1
1840 169 169 PHE HA H 5.680 0.02 1
1841 169 169 PHE HB2 H 2.950 0.02 2
1842 169 169 PHE HB3 H 1.990 0.02 2
1843 169 169 PHE HD1 H 6.550 0.02 3
1844 169 169 PHE HD2 H 6.590 0.02 3
1845 169 169 PHE HE1 H 6.780 0.02 1
1846 169 169 PHE HE2 H 6.780 0.02 1
1847 169 169 PHE HZ H 7.110 0.02 1
1848 169 169 PHE C C 175.406 0.3 1
1849 169 169 PHE CA C 55.715 0.3 1
1850 169 169 PHE CB C 43.383 0.3 1
1851 169 169 PHE CD1 C 131.410 0.3 1
1852 169 169 PHE CD2 C 131.410 0.3 1
1853 169 169 PHE CE1 C 130.200 0.3 1
1854 169 169 PHE CE2 C 130.200 0.3 1
1855 169 169 PHE N N 113.099 0.3 1
1856 170 170 SER H H 9.857 0.02 1
1857 170 170 SER HA H 5.701 0.02 1
1858 170 170 SER HB2 H 3.920 0.02 2
1859 170 170 SER HB3 H 3.550 0.02 2
1860 170 170 SER C C 173.909 0.3 1
1861 170 170 SER CA C 58.614 0.3 1
1862 170 170 SER CB C 68.520 0.3 1
1863 170 170 SER N N 119.784 0.3 1
1864 171 171 ALA H H 9.384 0.02 1
1865 171 171 ALA HA H 3.950 0.02 1
1866 171 171 ALA HB H 1.480 0.02 1
1867 171 171 ALA C C 177.401 0.3 1
1868 171 171 ALA CA C 51.674 0.3 1
1869 171 171 ALA CB C 20.902 0.3 1
1870 171 171 ALA N N 125.510 0.3 1
1871 172 172 GLN H H 7.940 0.02 1
1872 172 172 GLN HA H 4.525 0.02 1
1873 172 172 GLN HB2 H 2.660 0.02 2
1874 172 172 GLN HB3 H 1.920 0.02 2
1875 172 172 GLN HG2 H 2.100 0.02 2
1876 172 172 GLN HG3 H 2.710 0.02 2
1877 172 172 GLN HE21 H 6.910 0.02 2
1878 172 172 GLN HE22 H 7.590 0.02 2
1879 172 172 GLN C C 176.663 0.3 1
1880 172 172 GLN CA C 57.189 0.3 1
1881 172 172 GLN CB C 30.231 0.3 1
1882 172 172 GLN CG C 34.050 0.3 1
1883 172 172 GLN CD C 180.150 0.3 1
1884 172 172 GLN N N 124.150 0.3 1
1885 172 172 GLN NE2 N 112.290 0.3 1
1886 173 173 LEU H H 8.510 0.02 1
1887 173 173 LEU HA H 4.591 0.02 1
1888 173 173 LEU HB2 H 1.610 0.02 2
1889 173 173 LEU HB3 H 1.240 0.02 2
1890 173 173 LEU HG H 1.210 0.02 1
1891 173 173 LEU HD1 H 0.800 0.02 2
1892 173 173 LEU HD2 H 0.790 0.02 2
1893 173 173 LEU C C 172.729 0.3 1
1894 173 173 LEU CA C 54.196 0.3 1
1895 173 173 LEU CB C 44.655 0.3 1
1896 173 173 LEU CG C 24.900 0.3 1
1897 173 173 LEU CD1 C 27.500 0.3 1
1898 173 173 LEU CD2 C 26.300 0.3 1
1899 173 173 LEU N N 125.131 0.3 1
1900 174 174 LYS H H 5.689 0.02 1
1901 174 174 LYS HA H 4.493 0.02 1
1902 174 174 LYS HB2 H 1.500 0.02 2
1903 174 174 LYS HB3 H -0.280 0.02 2
1904 174 174 LYS HG2 H 1.050 0.02 2
1905 174 174 LYS HG3 H 0.940 0.02 2
1906 174 174 LYS HD2 H 1.500 0.02 2
1907 174 174 LYS HD3 H 1.300 0.02 2
1908 174 174 LYS HE2 H 2.770 0.02 1
1909 174 174 LYS HE3 H 2.770 0.02 1
1910 174 174 LYS C C 176.878 0.3 1
1911 174 174 LYS CA C 53.889 0.3 1
1912 174 174 LYS CB C 34.652 0.3 1
1913 174 174 LYS CG C 24.950 0.3 1
1914 174 174 LYS CD C 29.250 0.3 1
1915 174 174 LYS CE C 41.240 0.3 1
1916 174 174 LYS N N 115.006 0.3 1
1917 175 175 LYS H H 9.174 0.02 1
1918 175 175 LYS HA H 3.810 0.02 1
1919 175 175 LYS HB2 H 1.770 0.02 2
1920 175 175 LYS HB3 H 1.800 0.02 2
1921 175 175 LYS HG2 H 1.460 0.02 2
1922 175 175 LYS HG3 H 1.440 0.02 2
1923 175 175 LYS HD2 H 1.700 0.02 1
1924 175 175 LYS HD3 H 1.700 0.02 1
1925 175 175 LYS HE2 H 3.040 0.02 1
1926 175 175 LYS HE3 H 3.040 0.02 1
1927 175 175 LYS C C 179.448 0.3 1
1928 175 175 LYS CA C 60.826 0.3 1
1929 175 175 LYS CB C 32.669 0.3 1
1930 175 175 LYS CG C 26.300 0.3 1
1931 175 175 LYS CD C 29.700 0.3 1
1932 175 175 LYS CE C 41.710 0.3 1
1933 175 175 LYS N N 123.845 0.3 1
1934 176 176 GLN H H 8.597 0.02 1
1935 176 176 GLN HA H 4.040 0.02 1
1936 176 176 GLN HB2 H 2.030 0.02 2
1937 176 176 GLN HB3 H 1.940 0.02 2
1938 176 176 GLN HG2 H 2.250 0.02 1
1939 176 176 GLN HG3 H 2.250 0.02 1
1940 176 176 GLN HE21 H 7.030 0.02 2
1941 176 176 GLN HE22 H 7.560 0.02 2
1942 176 176 GLN C C 176.415 0.3 1
1943 176 176 GLN CA C 57.967 0.3 1
1944 176 176 GLN CB C 28.435 0.3 1
1945 176 176 GLN CG C 33.460 0.3 1
1946 176 176 GLN CD C 180.140 0.3 1
1947 176 176 GLN N N 114.310 0.3 1
1948 176 176 GLN NE2 N 112.210 0.3 1
1949 177 177 TYR H H 6.865 0.02 1
1950 177 177 TYR HA H 4.438 0.02 1
1951 177 177 TYR HB2 H 2.300 0.02 2
1952 177 177 TYR HB3 H 1.960 0.02 2
1953 177 177 TYR HD1 H 6.730 0.02 1
1954 177 177 TYR HD2 H 6.730 0.02 1
1955 177 177 TYR HE1 H 7.080 0.02 3
1956 177 177 TYR HE2 H 7.060 0.02 3
1957 177 177 TYR C C 176.371 0.3 1
1958 177 177 TYR CA C 55.352 0.3 1
1959 177 177 TYR CB C 35.389 0.3 1
1960 177 177 TYR CD1 C 130.170 0.3 1
1961 177 177 TYR CD2 C 130.170 0.3 1
1962 177 177 TYR CE1 C 118.950 0.3 1
1963 177 177 TYR CE2 C 118.950 0.3 1
1964 177 177 TYR N N 116.009 0.3 1
1965 178 178 PHE H H 7.509 0.02 1
1966 178 178 PHE HA H 5.076 0.02 1
1967 178 178 PHE HB2 H 2.650 0.02 2
1968 178 178 PHE HB3 H 3.450 0.02 2
1969 178 178 PHE HD1 H 7.340 0.02 1
1970 178 178 PHE HD2 H 7.340 0.02 1
1971 178 178 PHE HE1 H 7.050 0.02 1
1972 178 178 PHE HE2 H 7.050 0.02 1
1973 178 178 PHE HZ H 7.150 0.02 1
1974 178 178 PHE C C 174.654 0.3 1
1975 178 178 PHE CA C 56.107 0.3 1
1976 178 178 PHE CB C 40.685 0.3 1
1977 178 178 PHE CD1 C 133.280 0.3 3
1978 178 178 PHE CD2 C 133.230 0.3 3
1979 178 178 PHE CE1 C 128.989 0.3 3
1980 178 178 PHE CE2 C 128.980 0.3 3
1981 178 178 PHE CZ C 130.790 0.3 1
1982 178 178 PHE N N 114.013 0.3 1
1983 179 179 VAL H H 7.313 0.02 1
1984 179 179 VAL HA H 4.110 0.02 1
1985 179 179 VAL HB H 2.070 0.02 1
1986 179 179 VAL HG2 H 0.950 0.02 1
1987 179 179 VAL C C 175.868 0.3 1
1988 179 179 VAL CA C 61.979 0.3 1
1989 179 179 VAL CB C 32.963 0.3 1
1990 179 179 VAL CG1 C 21.290 0.3 1
1991 179 179 VAL CG2 C 20.420 0.3 1
1992 179 179 VAL N N 117.965 0.3 1
1993 180 180 GLU H H 8.583 0.02 1
1994 180 180 GLU HA H 4.259 0.02 1
1995 180 180 GLU HB2 H 2.090 0.02 2
1996 180 180 GLU HB3 H 1.950 0.02 2
1997 180 180 GLU HG2 H 2.350 0.02 1
1998 180 180 GLU HG3 H 2.350 0.02 1
1999 180 180 GLU C C 176.239 0.3 1
2000 180 180 GLU CA C 56.793 0.3 1
2001 180 180 GLU CB C 30.551 0.3 1
2002 180 180 GLU CG C 36.520 0.3 1
2003 180 180 GLU N N 125.128 0.3 1
2004 181 181 LYS H H 8.428 0.02 1
2005 181 181 LYS HA H 4.259 0.02 1
2006 181 181 LYS HB2 H 1.890 0.02 2
2007 181 181 LYS HB3 H 1.780 0.02 2
2008 181 181 LYS HG2 H 1.450 0.02 1
2009 181 181 LYS HG3 H 1.450 0.02 1
2010 181 181 LYS HD2 H 1.700 0.02 1
2011 181 181 LYS HD3 H 1.700 0.02 1
2012 181 181 LYS HE2 H 2.910 0.02 2
2013 181 181 LYS HE3 H 2.590 0.02 2
2014 181 181 LYS C C 175.490 0.3 1
2015 181 181 LYS CA C 56.488 0.3 1
2016 181 181 LYS CB C 33.146 0.3 1
2017 181 181 LYS CG C 24.620 0.3 1
2018 181 181 LYS CD C 28.960 0.3 1
2019 181 181 LYS CE C 41.870 0.3 1
2020 181 181 LYS N N 123.639 0.3 1
2021 182 182 GLN H H 8.037 0.02 1
2022 182 182 GLN HA H 4.157 0.02 1
2023 182 182 GLN HB2 H 2.110 0.02 2
2024 182 182 GLN HB3 H 1.910 0.02 2
2025 182 182 GLN HG2 H 2.300 0.02 2
2026 182 182 GLN HG3 H 2.290 0.02 2
2027 182 182 GLN HE21 H 6.750 0.02 2
2028 182 182 GLN HE22 H 7.490 0.02 2
2029 182 182 GLN CA C 57.438 0.3 1
2030 182 182 GLN CB C 30.621 0.3 1
2031 182 182 GLN CG C 34.340 0.3 1
2032 182 182 GLN CD C 181.180 0.3 1
2033 182 182 GLN N N 127.654 0.3 1
2034 182 182 GLN NE2 N 112.340 0.3 1
stop_
save_
save_chem_shift_list_1_2
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$VNMR_6.1c
stop_
loop_
_Experiment_label
'1N15N HSQC'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $conditions_1
_Chem_shift_reference_set_label $chemical_shift_referencing
_Mol_system_component_name LEALFQ
_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
1 183 2 LEU HB2 H 1.620 0.02 2
2 183 2 LEU HB3 H 1.450 0.02 2
3 183 2 LEU HA H 4.38 0.02 2
4 183 2 LEU HG H 1.310 0.02 2
5 183 2 LEU HD1 H 0.880 0.02 2
6 183 2 LEU HD2 H 0.900 0.02 2
7 184 3 GLU HA H 4.200 0.02 1
8 184 3 GLU HB2 H 1.880 0.02 2
9 184 3 GLU HB3 H 1.820 0.02 2
10 184 3 GLU HG2 H 2.200 0.02 2
11 184 3 GLU HG3 H 2.710 0.02 2
12 185 4 ALA HA H 4.320 0.02 1
13 185 4 ALA HB H 0.850 0.02 1
14 186 5 LEU H H 8.330 0.02 1
15 186 5 LEU HA H 4.900 0.02 1
16 186 5 LEU HB2 H 1.680 0.02 2
17 186 5 LEU HB3 H 1.510 0.02 2
18 186 5 LEU HG H 1.380 0.02 2
19 186 5 LEU HD1 H 0.900 0.02 2
20 186 5 LEU HD2 H 0.860 0.02 2
21 187 6 PHE H H 6.780 0.02 1
22 187 6 PHE HA H 4.970 0.02 1
23 187 6 PHE HB2 H 2.560 0.02 2
24 187 6 PHE HB3 H 2.430 0.02 2
25 187 6 PHE HD1 H 7.21 0.02 1
26 187 6 PHE HD2 H 7.21 0.02 1
27 187 6 PHE HE1 H 7.080 0.02 1
28 187 6 PHE HE2 H 7.080 0.02 1
29 187 6 PHE HZ H 7.27 0.02 1
30 188 7 GLN H H 7.54 0.02 1
31 188 7 GLN HA H 4.61 0.02 1
32 188 7 GLN HB2 H 1.970 0.02 2
33 188 7 GLN HB3 H 1.900 0.02 2
34 188 7 GLN HG2 H 2.150 0.02 2
35 188 7 GLN HG3 H 2.240 0.02 2
36 188 7 GLN HE21 H 6.570 0.02 2
37 188 7 GLN HE22 H 6.900 0.02 2
38 189 8 CA1 H1 H 1.320 0.02 1
39 189 8 CA1 H2 H 3.950 0.02 2
40 189 8 CA1 H3 H 4.220 0.02 2
41 189 8 CA1 H4 H 3.620 0.02 2
42 189 8 CA1 H5 H 4.920 0.02 2
43 189 8 CA1 H6 H 1.220 0.02 2
stop_
save_