data_6052
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Backbone and side chain 1H, 13C, and 15N chemical shift assignments for
Haemophilus human protein HR969
;
_BMRB_accession_number 6052
_BMRB_flat_file_name bmr6052.str
_Entry_type new
_Submission_date 2003-12-16
_Accession_date 2003-12-16
_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 Ramelot Theresa A. .
2 Montelione Gaetano T. .
3 Kennedy Michael A. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 768
"13C chemical shifts" 583
"15N chemical shifts" 143
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2009-07-09 update BMRB 'added time domain data'
2004-09-30 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Backbone and side chain 1H, 13C, and 15N chemical shift assignments for
Haemophilus human protein HR969
;
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Ramelot Theresa A. .
2 Montelione Gaetano T. .
3 Kennedy Michael A. .
stop_
_Journal_abbreviation .
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
#######################################
# Cited references within the entry #
#######################################
save_ref_1
_Saveframe_category citation
_Citation_full
;
Schwieters CD, Kuszewski JJ, Tjandra N, Marius Clore G.
The Xplor-NIH NMR molecular structure determination package.
J Magn Reson. 2003 Jan;160(1):65-73.
PMID: 12565051
;
_Citation_title .
_Citation_status .
_Citation_type .
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 12565051
_Journal_abbreviation .
_Journal_name_full .
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_title .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_publisher .
_Book_publisher_city .
_Book_ISBN .
_Conference_title .
_Conference_site .
_Conference_state_province .
_Conference_country .
_Conference_start_date .
_Conference_end_date .
_Conference_abstract_number .
_Thesis_institution .
_Thesis_institution_city .
_Thesis_institution_country .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_system_HR969
_Saveframe_category molecular_system
_Mol_system_name HR969
_Abbreviation_common HR969
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
HR969 $HR969
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'all free'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_HR969
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common HR969
_Abbreviation_common HR969
_Molecular_mass 16800
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 149
_Mol_residue_sequence
;
MGHHHHHHSHMETDCNPMEL
SSMSGFEEGSELNGFEGTDM
KDMRLEAEAVVNDVLFAVNN
MFVSKSLRCADDVAYINVET
KERNRYCLELTEAGLKVVGY
AFDQVDDHLQTPYHETVYSL
LDTLSPAYREAFGNALLQRL
EALKRDGQS
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 -10 MET 2 -9 GLY 3 -8 HIS 4 -7 HIS 5 -6 HIS
6 -5 HIS 7 -4 HIS 8 -3 HIS 9 -2 SER 10 -1 HIS
11 1 MET 12 2 GLU 13 3 THR 14 4 ASP 15 5 CYS
16 6 ASN 17 7 PRO 18 8 MET 19 9 GLU 20 10 LEU
21 11 SER 22 12 SER 23 13 MET 24 14 SER 25 15 GLY
26 16 PHE 27 17 GLU 28 18 GLU 29 19 GLY 30 20 SER
31 21 GLU 32 22 LEU 33 23 ASN 34 24 GLY 35 25 PHE
36 26 GLU 37 27 GLY 38 28 THR 39 29 ASP 40 30 MET
41 31 LYS 42 32 ASP 43 33 MET 44 34 ARG 45 35 LEU
46 36 GLU 47 37 ALA 48 38 GLU 49 39 ALA 50 40 VAL
51 41 VAL 52 42 ASN 53 43 ASP 54 44 VAL 55 45 LEU
56 46 PHE 57 47 ALA 58 48 VAL 59 49 ASN 60 50 ASN
61 51 MET 62 52 PHE 63 53 VAL 64 54 SER 65 55 LYS
66 56 SER 67 57 LEU 68 58 ARG 69 59 CYS 70 60 ALA
71 61 ASP 72 62 ASP 73 63 VAL 74 64 ALA 75 65 TYR
76 66 ILE 77 67 ASN 78 68 VAL 79 69 GLU 80 70 THR
81 71 LYS 82 72 GLU 83 73 ARG 84 74 ASN 85 75 ARG
86 76 TYR 87 77 CYS 88 78 LEU 89 79 GLU 90 80 LEU
91 81 THR 92 82 GLU 93 83 ALA 94 84 GLY 95 85 LEU
96 86 LYS 97 87 VAL 98 88 VAL 99 89 GLY 100 90 TYR
101 91 ALA 102 92 PHE 103 93 ASP 104 94 GLN 105 95 VAL
106 96 ASP 107 97 ASP 108 98 HIS 109 99 LEU 110 100 GLN
111 101 THR 112 102 PRO 113 103 TYR 114 104 HIS 115 105 GLU
116 106 THR 117 107 VAL 118 108 TYR 119 109 SER 120 110 LEU
121 111 LEU 122 112 ASP 123 113 THR 124 114 LEU 125 115 SER
126 116 PRO 127 117 ALA 128 118 TYR 129 119 ARG 130 120 GLU
131 121 ALA 132 122 PHE 133 123 GLY 134 124 ASN 135 125 ALA
136 126 LEU 137 127 LEU 138 128 GLN 139 129 ARG 140 130 LEU
141 131 GLU 142 132 ALA 143 133 LEU 144 134 LYS 145 135 ARG
146 136 ASP 147 137 GLY 148 138 GLN 149 139 SER
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-11-09
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 1SGO "Nmr Structure Of The Human C14orf129 Gene Product, Hspc210. Northeast Structural Genomics Target Hr969." 93.29 139 100.00 100.00 4.66e-97
DBJ BAA91380 "unnamed protein product [Homo sapiens]" 93.29 139 99.28 99.28 7.89e-96
DBJ BAE00760 "unnamed protein product [Macaca fascicularis]" 93.29 139 99.28 99.28 5.62e-96
DBJ BAG52902 "unnamed protein product [Homo sapiens]" 93.29 139 100.00 100.00 4.66e-97
GB AAF36130 "HSPC210 [Homo sapiens]" 90.60 155 97.04 99.26 4.44e-91
GB AAH04818 "Chromosome 14 open reading frame 129 [Homo sapiens]" 93.29 139 100.00 100.00 4.66e-97
GB AIC51518 "C14orf129, partial [synthetic construct]" 93.29 139 100.00 100.00 4.66e-97
GB EAW81634 "chromosome 14 open reading frame 129, isoform CRA_a [Homo sapiens]" 93.29 139 100.00 100.00 4.66e-97
GB EAW81635 "chromosome 14 open reading frame 129, isoform CRA_a [Homo sapiens]" 93.29 139 100.00 100.00 4.66e-97
REF NP_001181120 "GSK3-beta interaction protein [Macaca mulatta]" 93.29 139 100.00 100.00 4.66e-97
REF NP_001229499 "GSK3-beta interaction protein [Pan troglodytes]" 93.29 139 100.00 100.00 4.66e-97
REF NP_001258833 "GSK3-beta interaction protein [Homo sapiens]" 93.29 139 100.00 100.00 4.66e-97
REF NP_001258834 "GSK3-beta interaction protein [Homo sapiens]" 93.29 139 100.00 100.00 4.66e-97
REF NP_001258835 "GSK3-beta interaction protein [Homo sapiens]" 93.29 139 100.00 100.00 4.66e-97
SP Q4R812 "RecName: Full=GSK3-beta interaction protein; Short=GSKIP [Macaca fascicularis]" 93.29 139 99.28 99.28 5.62e-96
SP Q9P0R6 "RecName: Full=GSK3-beta interaction protein; Short=GSKIP [Homo sapiens]" 93.29 139 100.00 100.00 4.66e-97
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Plasmid
_Gene_mnemonic
$HR969 Human 9606 Eukaryota Metazoa Homo sapiens pET14 Q9NWK0
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
$HR969 'recombinant technology' . . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$HR969 1 mM '[U-15N; U-13C]'
MES 20 mM .
NaCl 100 mM .
CaCl2 5 mM .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$HR969 1 mM [U-15N]
MES 20 mM .
NaCl 100 mM .
CaCl2 5 mM .
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$HR969 1 mM '[U-5% 13C; U-100% 15N]'
MES 20 mM .
NaCl 100 mM .
CaCl2 5 mM .
stop_
save_
############################
# Computer software used #
############################
save_Felix
_Saveframe_category software
_Name Felix
_Version 98
loop_
_Task
'processing data'
stop_
_Details MSI
save_
save_Sparky
_Saveframe_category software
_Name Sparky
_Version 3.98
loop_
_Task
analyzing
'peak picking spectra'
stop_
_Details
;
T. D. Goddard and D. G. Kneller, SPARKY 3,
University of California, San Francisco
;
save_
save_Autostructure
_Saveframe_category software
_Name Autostructure
_Version 2
loop_
_Task
'assigning noe peaks'
stop_
_Details 'Janet Huang and Gaetano T. Montelione'
save_
save_XPLOR_NIH
_Saveframe_category software
_Name 'XPLOR NIH'
_Version 2.0.6
loop_
_Task
'structure calculations'
stop_
_Details .
_Citation_label $ref_1
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model Inova
_Field_strength 500
_Details .
save_
save_NMR_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model Inova
_Field_strength 600
_Details .
save_
save_NMR_spectrometer_3
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model Inova
_Field_strength 750
_Details .
save_
save_NMR_spectrometer_4
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model Inova
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N HSQC'
_Sample_label .
save_
save_1H-13C_HSQC_(aliph)_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-13C HSQC (aliph)'
_Sample_label .
save_
save_15N-edited_NOESY-HQSC_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N-edited NOESY-HQSC'
_Sample_label .
save_
save_HCC-TOCSY-NNH_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HCC-TOCSY-NNH
_Sample_label .
save_
save_HCCH-TOCSY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_Sample_label .
save_
save_13C-edited-NOESY-HSQC_(aliph)_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '13C-edited-NOESY-HSQC (aliph)'
_Sample_label .
save_
save_CBCACOCAHA_7
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCACOCAHA
_Sample_label .
save_
save_HNCA_8
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_Sample_label .
save_
save_HN(CO)CA_9
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CO)CA
_Sample_label .
save_
save_HNCO_10
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_Sample_label .
save_
save_HNCACB_11
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_Sample_label .
save_
save_CBCA(CO)NH_12
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCA(CO)NH
_Sample_label .
save_
save_CC-TOCSY-NNH_13
_Saveframe_category NMR_applied_experiment
_Experiment_name CC-TOCSY-NNH
_Sample_label .
save_
save_HNHA_14
_Saveframe_category NMR_applied_experiment
_Experiment_name HNHA
_Sample_label .
save_
save_4D_CC-NOESY_15
_Saveframe_category NMR_applied_experiment
_Experiment_name '4D CC-NOESY'
_Sample_label .
save_
save_1H-13C_HSQC_(arom)_16
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-13C HSQC (arom)'
_Sample_label .
save_
save_1H-13C_HSQC_(alpha)_17
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-13C HSQC (alpha)'
_Sample_label .
save_
save_13C-edited-NOESY-HSQC_(arom)_18
_Saveframe_category NMR_applied_experiment
_Experiment_name '13C-edited-NOESY-HSQC (arom)'
_Sample_label .
save_
save_NMR_spectrometer_expt_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-13C HSQC (aliph)'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N-edited NOESY-HQSC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HCC-TOCSY-NNH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '13C-edited-NOESY-HSQC (aliph)'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_8
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CO)CA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_9
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_10
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_11
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCA(CO)NH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_12
_Saveframe_category NMR_applied_experiment
_Experiment_name CC-TOCSY-NNH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_13
_Saveframe_category NMR_applied_experiment
_Experiment_name HNHA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_14
_Saveframe_category NMR_applied_experiment
_Experiment_name '4D CC-NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_15
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-13C HSQC (arom)'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_16
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-13C HSQC (alpha)'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_17
_Saveframe_category NMR_applied_experiment
_Experiment_name '13C-edited-NOESY-HSQC (arom)'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.5 0.1 n/a
temperature 293 1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_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 N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
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_HR969_shift
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name HR969
_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 1 11 MET H H 8.29 0.02 1
2 1 11 MET HA H 4.43 0.02 1
3 1 11 MET HB2 H 1.91 0.02 2
4 1 11 MET HB3 H 2.04 0.02 2
5 1 11 MET HG2 H 2.45 0.02 1
6 1 11 MET HG3 H 2.45 0.02 1
7 1 11 MET HE H 2.03 0.02 1
8 1 11 MET C C 176.1 0.2 1
9 1 11 MET CA C 55.7 0.2 1
10 1 11 MET CB C 33.1 0.2 1
11 1 11 MET CG C 32.1 0.2 1
12 1 11 MET CE C 17.0 0.2 1
13 1 11 MET N N 121.1 0.2 1
14 2 12 GLU H H 8.52 0.02 1
15 2 12 GLU HA H 4.32 0.02 1
16 2 12 GLU HB2 H 1.95 0.02 1
17 2 12 GLU HB3 H 2.07 0.02 2
18 2 12 GLU HG2 H 2.28 0.02 1
19 2 12 GLU HG3 H 2.28 0.02 1
20 2 12 GLU C C 176.6 0.2 1
21 2 12 GLU CA C 55.61 0.2 1
22 2 12 GLU CB C 33.1 0.2 1
23 2 12 GLU CG C 36.4 0.2 1
24 2 12 GLU N N 121.9 0.2 1
25 3 13 THR H H 8.06 0.02 1
26 3 13 THR HA H 4.34 0.02 1
27 3 13 THR HB H 4.23 0.02 1
28 3 13 THR HG2 H 1.18 0.02 1
29 3 13 THR C C 174.3 0.2 1
30 3 13 THR CA C 61.9 0.2 1
31 3 13 THR CB C 70.0 0.2 1
32 3 13 THR CG2 C 21.7 0.2 1
33 3 13 THR N N 113.4 0.2 1
34 4 14 ASP H H 8.34 0.02 1
35 4 14 ASP HA H 4.64 0.02 1
36 4 14 ASP HB2 H 2.66 0.02 2
37 4 14 ASP HB3 H 2.72 0.02 2
38 4 14 ASP C C 175.9 0.2 1
39 4 14 ASP CA C 54.6 0.2 1
40 4 14 ASP CB C 41.1 0.2 1
41 4 14 ASP N N 122.4 0.2 1
42 5 15 CYS H H 8.17 0.02 1
43 5 15 CYS HA H 4.47 0.02 1
44 5 15 CYS HB2 H 2.88 0.02 1
45 5 15 CYS HB3 H 2.88 0.02 1
46 5 15 CYS C C 173.9 0.2 1
47 5 15 CYS CA C 58.3 0.2 1
48 5 15 CYS CB C 28.4 0.2 1
49 5 15 CYS N N 118.6 0.2 1
50 6 16 ASN H H 8.56 0.02 1
51 6 16 ASN HA H 4.96 0.02 1
52 6 16 ASN HB2 H 2.73 0.02 2
53 6 16 ASN HB3 H 2.84 0.02 2
54 6 16 ASN CA C 51.4 0.2 1
55 6 16 ASN CB C 39.0 0.2 1
56 6 16 ASN N N 122.2 0.2 1
57 7 17 PRO HA H 4.37 0.02 1
58 7 17 PRO HB2 H 1.94 0.02 2
59 7 17 PRO HB3 H 2.28 0.02 2
60 7 17 PRO HG2 H 2.00 0.02 1
61 7 17 PRO HG3 H 2.00 0.02 1
62 7 17 PRO HD2 H 3.73 0.02 2
63 7 17 PRO HD3 H 3.82 0.02 2
64 7 17 PRO C C 177.3 0.2 1
65 7 17 PRO CA C 63.9 0.2 1
66 7 17 PRO CB C 32.2 0.2 1
67 7 17 PRO CG C 27.4 0.2 1
68 7 17 PRO CD C 50.8 0.2 1
69 8 18 MET H H 8.30 0.02 1
70 8 18 MET HA H 4.39 0.02 1
71 8 18 MET HB2 H 2.51 0.02 2
72 8 18 MET HB3 H 2.60 0.02 2
73 8 18 MET HG2 H 2.01 0.02 2
74 8 18 MET HG3 H 2.13 0.02 2
75 8 18 MET C C 176.5 0.2 1
76 8 18 MET CA C 56.0 0.2 1
77 8 18 MET CB C 32.5 0.2 1
78 8 18 MET CG C 33.0 0.2 1
79 8 18 MET N N 118.8 0.2 1
80 9 19 GLU H H 8.18 0.02 1
81 9 19 GLU HA H 4.26 0.02 1
82 9 19 GLU HB2 H 2.22 0.02 2
83 9 19 GLU HB3 H 2.28 0.02 2
84 9 19 GLU HG2 H 1.94 0.02 2
85 9 19 GLU HG3 H 2.07 0.02 2
86 9 19 GLU C C 176.8 0.2 1
87 9 19 GLU CA C 56.6 0.2 1
88 9 19 GLU CB C 32.5 0.2 1
89 9 19 GLU CG C 36.4 0.2 1
90 9 19 GLU N N 121.1 0.2 1
91 10 20 LEU H H 8.14 0.02 1
92 10 20 LEU HA H 4.32 0.02 1
93 10 20 LEU HB2 H 1.59 0.02 1
94 10 20 LEU HB3 H 1.59 0.02 1
95 10 20 LEU HG H 1.62 0.02 1
96 10 20 LEU HD1 H 0.82 0.02 2
97 10 20 LEU HD2 H 0.88 0.02 2
98 10 20 LEU C C 177.8 0.2 1
99 10 20 LEU CA C 55.6 0.2 1
100 10 20 LEU CB C 42.5 0.2 1
101 10 20 LEU CG C 27.1 0.2 1
102 10 20 LEU CD1 C 23.6 0.2 2
103 10 20 LEU CD2 C 25.1 0.2 2
104 10 20 LEU N N 122.8 0.2 1
105 11 21 SER H H 8.29 0.02 1
106 11 21 SER HA H 4.40 0.02 1
107 11 21 SER HB2 H 3.87 0.02 1
108 11 21 SER HB3 H 3.87 0.02 1
109 11 21 SER C C 174.9 0.2 1
110 11 21 SER CA C 58.9 0.2 1
111 11 21 SER CB C 63.8 0.2 1
112 11 21 SER N N 115.9 0.2 1
113 12 22 SER H H 8.23 0.02 1
114 12 22 SER HA H 4.44 0.02 1
115 12 22 SER HB2 H 3.90 0.02 1
116 12 22 SER HB3 H 3.90 0.02 1
117 12 22 SER C C 174.7 0.2 1
118 12 22 SER CA C 58.7 0.2 1
119 12 22 SER CB C 63.8 0.2 1
120 12 22 SER N N 117.2 0.2 1
121 13 23 MET H H 8.25 0.02 1
122 13 23 MET HA H 4.52 0.02 1
123 13 23 MET HB2 H 2.01 0.02 2
124 13 23 MET HB3 H 2.13 0.02 2
125 13 23 MET HG2 H 2.51 0.02 2
126 13 23 MET HG3 H 2.58 0.02 2
127 13 23 MET HE H 2.05 0.02 1
128 13 23 MET C C 176.3 0.2 1
129 13 23 MET CA C 55.7 0.2 1
130 13 23 MET CB C 32.9 0.2 1
131 13 23 MET CG C 32.1 0.2 1
132 13 23 MET CE C 17.0 0.2 1
133 13 23 MET N N 121.6 0.2 1
134 14 24 SER H H 8.30 0.02 1
135 14 24 SER HA H 4.41 0.02 1
136 14 24 SER HB2 H 3.84 0.02 1
137 14 24 SER HB3 H 3.84 0.02 1
138 14 24 SER C C 174.9 0.2 1
139 14 24 SER CA C 59.0 0.2 1
140 14 24 SER CB C 63.9 0.2 1
141 14 24 SER N N 116.7 0.2 1
142 15 25 GLY H H 8.43 0.02 1
143 15 25 GLY HA2 H 3.92 0.02 2
144 15 25 GLY HA3 H 3.88 0.02 2
145 15 25 GLY C C 173.9 0.2 1
146 15 25 GLY CA C 45.4 0.2 1
147 15 25 GLY N N 110.8 0.2 1
148 16 26 PHE H H 8.04 0.02 1
149 16 26 PHE HA H 4.60 0.02 1
150 16 26 PHE HB2 H 2.96 0.02 2
151 16 26 PHE HB3 H 3.11 0.02 2
152 16 26 PHE C C 175.7 0.2 1
153 16 26 PHE CA C 57.8 0.2 1
154 16 26 PHE CB C 39.7 0.2 1
155 16 26 PHE N N 119.8 0.2 1
156 17 27 GLU H H 8.42 0.02 1
157 17 27 GLU HA H 4.24 0.02 1
158 17 27 GLU HB2 H 1.88 0.02 2
159 17 27 GLU HB3 H 2.00 0.02 2
160 17 27 GLU HG2 H 2.21 0.02 1
161 17 27 GLU HG3 H 2.21 0.02 1
162 17 27 GLU C C 176.2 0.2 1
163 17 27 GLU CA C 56.6 0.2 1
164 17 27 GLU CB C 30.3 0.2 1
165 17 27 GLU CG C 36.3 0.2 1
166 17 27 GLU N N 122.9 0.2 1
167 18 28 GLU H H 8.48 0.02 1
168 18 28 GLU HA H 4.22 0.02 1
169 18 28 GLU HB2 H 1.96 0.02 2
170 18 28 GLU HB3 H 2.04 0.02 2
171 18 28 GLU HG2 H 2.28 0.02 1
172 18 28 GLU HG3 H 2.28 0.02 1
173 18 28 GLU C C 177.1 0.2 1
174 18 28 GLU CA C 56.9 0.2 1
175 18 28 GLU CB C 30.3 0.2 1
176 18 28 GLU CG C 36.3 0.2 1
177 18 28 GLU N N 122.7 0.2 1
178 19 29 GLY H H 8.56 0.02 1
179 19 29 GLY HA2 H 3.94 0.02 2
180 19 29 GLY HA3 H 4.00 0.02 2
181 19 29 GLY C C 174.2 0.2 1
182 19 29 GLY CA C 45.5 0.2 1
183 19 29 GLY N N 110.6 0.2 1
184 20 30 SER H H 8.14 0.02 1
185 20 30 SER HA H 4.42 0.02 1
186 20 30 SER HB2 H 3.84 0.02 1
187 20 30 SER HB3 H 3.84 0.02 1
188 20 30 SER C C 176.5 0.2 1
189 20 30 SER CA C 58.6 0.2 1
190 20 30 SER CB C 64.1 0.2 1
191 20 30 SER N N 115.6 0.2 1
192 21 31 GLU H H 8.67 0.02 1
193 21 31 GLU HA H 4.26 0.02 1
194 21 31 GLU HB2 H 1.93 0.02 2
195 21 31 GLU HB3 H 2.04 0.02 2
196 21 31 GLU HG2 H 2.25 0.02 1
197 21 31 GLU HG3 H 2.25 0.02 1
198 21 31 GLU C C 176.5 0.2 1
199 21 31 GLU CA C 57.0 0.2 1
200 21 31 GLU CB C 29.9 0.2 1
201 21 31 GLU CG C 32.4 0.2 1
202 21 31 GLU N N 122.8 0.2 1
203 22 32 LEU H H 8.17 0.02 1
204 22 32 LEU HA H 4.32 0.02 1
205 22 32 LEU HB2 H 1.58 0.02 2
206 22 32 LEU HB3 H 1.60 0.02 2
207 22 32 LEU HG H 1.63 0.02 1
208 22 32 LEU HD1 H 0.85 0.02 1
209 22 32 LEU HD2 H 0.85 0.02 1
210 22 32 LEU C C 177.2 0.2 1
211 22 32 LEU CA C 55.4 0.2 1
212 22 32 LEU CB C 42.2 0.2 1
213 22 32 LEU CG C 27.1 0.2 1
214 22 32 LEU CD1 C 23.5 0.2 1
215 22 32 LEU CD2 C 25.1 0.2 1
216 22 32 LEU N N 122.3 0.2 1
217 23 33 ASN H H 8.38 0.02 1
218 23 33 ASN HA H 4.67 0.02 1
219 23 33 ASN HB2 H 2.75 0.02 1
220 23 33 ASN HB3 H 2.75 0.02 1
221 23 33 ASN HD21 H 6.97 0.02 2
222 23 33 ASN HD22 H 7.60 0.02 2
223 23 33 ASN C C 175.6 0.2 1
224 23 33 ASN CA C 53.5 0.2 1
225 23 33 ASN CB C 39.1 0.2 1
226 23 33 ASN N N 119.1 0.2 1
227 23 33 ASN ND2 N 113.2 0.2 1
228 24 34 GLY H H 8.33 0.02 1
229 24 34 GLY HA2 H 3.87 0.02 1
230 24 34 GLY HA3 H 3.87 0.02 1
231 24 34 GLY C C 173.9 0.2 1
232 24 34 GLY CA C 45.5 0.2 1
233 24 34 GLY N N 109.2 0.2 1
234 25 35 PHE H H 8.13 0.02 1
235 25 35 PHE HA H 4.60 0.02 1
236 25 35 PHE HB2 H 3.00 0.02 2
237 25 35 PHE HB3 H 3.12 0.02 2
238 25 35 PHE HD1 H 7.19 0.02 1
239 25 35 PHE HD2 H 7.19 0.02 1
240 25 35 PHE C C 175.9 0.2 1
241 25 35 PHE CA C 57.9 0.2 1
242 25 35 PHE CB C 39.6 0.2 1
243 25 35 PHE CD1 C 131.9 0.2 1
244 25 35 PHE CD2 C 131.9 0.2 1
245 25 35 PHE N N 119.9 0.2 1
246 26 36 GLU H H 8.47 0.02 1
247 26 36 GLU HA H 4.26 0.02 1
248 26 36 GLU HB2 H 1.89 0.02 2
249 26 36 GLU HB3 H 2.03 0.02 2
250 26 36 GLU HG2 H 2.22 0.02 1
251 26 36 GLU HG3 H 2.22 0.02 1
252 26 36 GLU C C 176.6 0.2 1
253 26 36 GLU CA C 57.1 0.2 1
254 26 36 GLU CB C 30.3 0.2 1
255 26 36 GLU CG C 36.3 0.2 1
256 26 36 GLU N N 123.1 0.2 1
257 27 37 GLY H H 8.07 0.02 1
258 27 37 GLY HA2 H 3.96 0.02 1
259 27 37 GLY HA3 H 3.96 0.02 1
260 27 37 GLY C C 174.2 0.2 1
261 27 37 GLY CA C 45.5 0.2 1
262 27 37 GLY N N 109.6 0.2 1
263 28 38 THR H H 8.06 0.02 1
264 28 38 THR HA H 4.37 0.02 1
265 28 38 THR HB H 4.24 0.02 1
266 28 38 THR HG2 H 1.18 0.02 1
267 28 38 THR C C 174.2 0.2 1
268 28 38 THR CA C 61.8 0.2 1
269 28 38 THR CB C 70.1 0.2 1
270 28 38 THR CG2 C 21.6 0.2 1
271 28 38 THR N N 113.1 0.2 1
272 29 39 ASP H H 8.44 0.02 1
273 29 39 ASP HA H 4.60 0.02 1
274 29 39 ASP HB2 H 2.59 0.02 2
275 29 39 ASP HB3 H 2.68 0.02 2
276 29 39 ASP C C 175.8 0.2 1
277 29 39 ASP CA C 54.5 0.2 1
278 29 39 ASP CB C 41.1 0.2 1
279 29 39 ASP N N 122.7 0.2 1
280 30 40 MET H H 8.20 0.02 1
281 30 40 MET HA H 4.40 0.02 1
282 30 40 MET HB2 H 1.93 0.02 2
283 30 40 MET HB3 H 2.04 0.02 2
284 30 40 MET HG2 H 2.51 0.02 1
285 30 40 MET HG3 H 2.51 0.02 1
286 30 40 MET HE H 1.89 0.02 1
287 30 40 MET C C 175.7 0.2 1
288 30 40 MET CA C 55.6 0.2 1
289 30 40 MET CB C 33.1 0.2 1
290 30 40 MET CG C 32.1 0.2 1
291 30 40 MET CE C 19.6 0.2 1
292 30 40 MET N N 120.8 0.2 1
293 31 41 LYS H H 8.43 0.02 1
294 31 41 LYS HA H 4.34 0.02 1
295 31 41 LYS HB2 H 1.63 0.02 1
296 31 41 LYS HB3 H 1.63 0.02 1
297 31 41 LYS HG2 H 1.33 0.02 2
298 31 41 LYS HG3 H 1.37 0.02 2
299 31 41 LYS HD2 H 1.58 0.02 1
300 31 41 LYS HD3 H 1.58 0.02 1
301 31 41 LYS HE2 H 2.90 0.02 2
302 31 41 LYS HE3 H 2.93 0.02 2
303 31 41 LYS C C 175.1 0.2 1
304 31 41 LYS CA C 55.9 0.2 1
305 31 41 LYS CB C 33.7 0.2 1
306 31 41 LYS CG C 25.1 0.2 1
307 31 41 LYS CD C 28.7 0.2 1
308 31 41 LYS CE C 41.8 0.2 1
309 31 41 LYS N N 123.2 0.2 1
310 32 42 ASP H H 8.56 0.02 1
311 32 42 ASP HA H 4.98 0.02 1
312 32 42 ASP HB2 H 2.58 0.02 2
313 32 42 ASP HB3 H 2.92 0.02 2
314 32 42 ASP C C 177.7 0.2 1
315 32 42 ASP CA C 52.9 0.2 1
316 32 42 ASP CB C 42.1 0.2 1
317 32 42 ASP N N 121.7 0.2 1
318 33 43 MET H H 9.32 0.02 1
319 33 43 MET HA H 4.38 0.02 1
320 33 43 MET HB2 H 2.01 0.02 1
321 33 43 MET HB3 H 2.01 0.02 1
322 33 43 MET HG2 H 2.57 0.02 2
323 33 43 MET HG3 H 2.70 0.02 2
324 33 43 MET HE H 1.89 0.02 1
325 33 43 MET C C 177.9 0.2 1
326 33 43 MET CA C 56.4 0.2 1
327 33 43 MET CB C 32.7 0.2 1
328 33 43 MET CG C 33.7 0.2 1
329 33 43 MET CE C 19.5 0.2 1
330 33 43 MET N N 126.2 0.2 1
331 34 44 ARG H H 8.45 0.02 1
332 34 44 ARG HA H 3.72 0.02 1
333 34 44 ARG HB2 H 1.86 0.02 1
334 34 44 ARG HB3 H 1.86 0.02 1
335 34 44 ARG C C 179.0 0.2 1
336 34 44 ARG CA C 60.0 0.2 1
337 34 44 ARG CB C 29.8 0.2 1
338 34 44 ARG N N 119.0 0.2 1
339 35 45 LEU H H 7.00 0.02 1
340 35 45 LEU HA H 4.14 0.02 1
341 35 45 LEU HB2 H 1.60 0.02 2
342 35 45 LEU HB3 H 1.97 0.02 2
343 35 45 LEU HG H 1.59 0.02 1
344 35 45 LEU HD1 H 0.96 0.02 1
345 35 45 LEU HD2 H 0.83 0.02 1
346 35 45 LEU CA C 56.9 0.2 1
347 35 45 LEU CB C 41.4 0.2 1
348 35 45 LEU CG C 27.2 0.2 1
349 35 45 LEU CD1 C 25.2 0.2 1
350 35 45 LEU CD2 C 23.1 0.2 1
351 35 45 LEU N N 118.6 0.2 1
352 36 46 GLU H H 8.10 0.02 1
353 36 46 GLU HA H 4.09 0.02 1
354 36 46 GLU HB2 H 2.03 0.02 1
355 36 46 GLU HB3 H 2.03 0.02 1
356 36 46 GLU HG2 H 2.27 0.02 1
357 36 46 GLU HG3 H 2.27 0.02 1
358 36 46 GLU C C 178.5 0.2 1
359 36 46 GLU CA C 58.6 0.2 1
360 36 46 GLU CB C 29.3 0.2 1
361 36 46 GLU CG C 35.5 0.2 1
362 36 46 GLU N N 121.0 0.2 1
363 37 47 ALA H H 8.45 0.02 1
364 37 47 ALA HA H 3.71 0.02 1
365 37 47 ALA HB H 1.28 0.02 1
366 37 47 ALA C C 178.2 0.2 1
367 37 47 ALA CA C 55.3 0.2 1
368 37 47 ALA CB C 18.7 0.2 1
369 37 47 ALA N N 120.6 0.2 1
370 38 48 GLU H H 7.16 0.02 1
371 38 48 GLU HA H 3.91 0.02 1
372 38 48 GLU HB2 H 2.02 0.02 2
373 38 48 GLU HB3 H 2.05 0.02 2
374 38 48 GLU HG2 H 2.33 0.02 2
375 38 48 GLU HG3 H 2.45 0.02 2
376 38 48 GLU C C 178.5 0.2 1
377 38 48 GLU CA C 59.0 0.2 1
378 38 48 GLU CB C 29.4 0.2 1
379 38 48 GLU CG C 35.7 0.2 1
380 38 48 GLU N N 115.2 0.2 1
381 39 49 ALA H H 7.41 0.02 1
382 39 49 ALA HA H 4.14 0.02 1
383 39 49 ALA HB H 1.46 0.02 1
384 39 49 ALA C C 179.9 0.2 1
385 39 49 ALA CA C 55.2 0.2 1
386 39 49 ALA CB C 17.9 0.2 1
387 39 49 ALA N N 121.2 0.2 1
388 40 50 VAL H H 7.91 0.02 1
389 40 50 VAL HA H 3.67 0.02 1
390 40 50 VAL HB H 2.15 0.02 1
391 40 50 VAL HG1 H 0.68 0.02 1
392 40 50 VAL HG2 H 0.95 0.02 1
393 40 50 VAL C C 177.3 0.2 1
394 40 50 VAL CA C 66.4 0.2 1
395 40 50 VAL CB C 31.5 0.2 1
396 40 50 VAL CG1 C 21.4 0.2 1
397 40 50 VAL CG2 C 23.0 0.2 1
398 40 50 VAL N N 119.3 0.2 1
399 41 51 VAL H H 7.60 0.02 1
400 41 51 VAL HA H 3.71 0.02 1
401 41 51 VAL HB H 2.15 0.02 1
402 41 51 VAL HG1 H 0.88 0.02 1
403 41 51 VAL HG2 H 0.91 0.02 1
404 41 51 VAL C C 177.4 0.2 1
405 41 51 VAL CA C 66.2 0.2 1
406 41 51 VAL CB C 31.4 0.2 1
407 41 51 VAL CG1 C 21.9 0.2 1
408 41 51 VAL CG2 C 22.8 0.2 1
409 41 51 VAL N N 117.0 0.2 1
410 42 52 ASN H H 7.66 0.02 1
411 42 52 ASN HA H 4.46 0.02 1
412 42 52 ASN HB2 H 2.84 0.02 1
413 42 52 ASN HB3 H 2.84 0.02 1
414 42 52 ASN HD21 H 7.01 0.02 2
415 42 52 ASN HD22 H 7.71 0.02 2
416 42 52 ASN C C 177.5 0.2 1
417 42 52 ASN CA C 56.1 0.2 1
418 42 52 ASN CB C 39.0 0.2 1
419 42 52 ASN N N 113.6 0.2 1
420 42 52 ASN ND2 N 113.5 0.2 1
421 43 53 ASP H H 8.02 0.02 1
422 43 53 ASP HA H 4.80 0.02 1
423 43 53 ASP HB2 H 2.90 0.02 2
424 43 53 ASP HB3 H 3.03 0.02 2
425 43 53 ASP C C 178.3 0.2 1
426 43 53 ASP CA C 57.2 0.2 1
427 43 53 ASP CB C 42.1 0.2 1
428 43 53 ASP N N 118.8 0.2 1
429 44 54 VAL H H 7.40 0.02 1
430 44 54 VAL HA H 4.84 0.02 1
431 44 54 VAL HB H 2.30 0.02 1
432 44 54 VAL HG1 H 0.88 0.02 1
433 44 54 VAL HG2 H 0.78 0.02 1
434 44 54 VAL C C 176.3 0.2 1
435 44 54 VAL CA C 61.2 0.2 1
436 44 54 VAL CB C 33.7 0.2 1
437 44 54 VAL CG1 C 22.6 0.2 1
438 44 54 VAL CG2 C 20.2 0.2 1
439 44 54 VAL N N 107.1 0.2 1
440 45 55 LEU H H 7.81 0.02 1
441 45 55 LEU HA H 3.88 0.02 1
442 45 55 LEU HB2 H 1.79 0.02 2
443 45 55 LEU HB3 H 2.00 0.02 2
444 45 55 LEU HG H 1.66 0.02 1
445 45 55 LEU HD1 H 1.02 0.02 1
446 45 55 LEU HD2 H 0.98 0.02 1
447 45 55 LEU C C 178.2 0.2 1
448 45 55 LEU CA C 58.6 0.2 1
449 45 55 LEU CB C 41.7 0.2 1
450 45 55 LEU CG C 27.2 0.2 1
451 45 55 LEU CD1 C 24.4 0.2 1
452 45 55 LEU CD2 C 25.7 0.2 1
453 45 55 LEU N N 124.5 0.2 1
454 46 56 PHE H H 8.07 0.02 1
455 46 56 PHE HA H 4.45 0.02 1
456 46 56 PHE HB2 H 3.14 0.02 2
457 46 56 PHE HB3 H 3.23 0.02 2
458 46 56 PHE HD1 H 7.28 0.02 1
459 46 56 PHE HD2 H 7.28 0.02 1
460 46 56 PHE C C 175.3 0.2 1
461 46 56 PHE CA C 58.7 0.2 1
462 46 56 PHE CB C 38.0 0.2 1
463 46 56 PHE CD1 C 132.3 0.2 1
464 46 56 PHE CD2 C 132.3 0.2 1
465 46 56 PHE N N 111.9 0.2 1
466 47 57 ALA H H 7.63 0.02 1
467 47 57 ALA HA H 4.03 0.02 1
468 47 57 ALA HB H 0.96 0.02 1
469 47 57 ALA C C 175.8 0.2 1
470 47 57 ALA CA C 51.4 0.2 1
471 47 57 ALA CB C 20.6 0.2 1
472 47 57 ALA N N 123.3 0.2 1
473 48 58 VAL H H 7.50 0.02 1
474 48 58 VAL HA H 4.65 0.02 1
475 48 58 VAL HB H 2.61 0.02 1
476 48 58 VAL HG1 H 0.83 0.02 1
477 48 58 VAL HG2 H 0.86 0.02 1
478 48 58 VAL C C 174.1 0.2 1
479 48 58 VAL CA C 59.3 0.2 1
480 48 58 VAL CB C 34.3 0.2 1
481 48 58 VAL CG1 C 21.3 0.2 1
482 48 58 VAL CG2 C 19.3 0.2 1
483 48 58 VAL N N 110.1 0.2 1
484 49 59 ASN H H 8.42 0.02 1
485 49 59 ASN HA H 4.88 0.02 1
486 49 59 ASN HB2 H 2.45 0.02 2
487 49 59 ASN HB3 H 2.66 0.02 2
488 49 59 ASN C C 176.4 0.2 1
489 49 59 ASN CA C 55.0 0.2 1
490 49 59 ASN CB C 39.1 0.2 1
491 49 59 ASN N N 118.1 0.2 1
492 50 60 ASN H H 8.10 0.02 1
493 50 60 ASN HA H 4.84 0.02 1
494 50 60 ASN HB2 H 2.64 0.02 2
495 50 60 ASN HB3 H 3.12 0.02 2
496 50 60 ASN HD21 H 6.89 0.02 2
497 50 60 ASN HD22 H 7.92 0.02 2
498 50 60 ASN C C 173.2 0.2 1
499 50 60 ASN CA C 52.7 0.2 1
500 50 60 ASN CB C 41.2 0.2 1
501 50 60 ASN N N 113.4 0.2 1
502 50 60 ASN ND2 N 110.2 0.2 1
503 51 61 MET H H 7.94 0.02 1
504 51 61 MET HA H 5.30 0.02 1
505 51 61 MET HB2 H 1.84 0.02 2
506 51 61 MET HB3 H 2.08 0.02 2
507 51 61 MET HG2 H 2.32 0.02 2
508 51 61 MET HG3 H 2.41 0.02 2
509 51 61 MET HE H 1.63 0.02 1
510 51 61 MET C C 172.7 0.2 1
511 51 61 MET CA C 56.0 0.2 1
512 51 61 MET CB C 36.7 0.2 1
513 51 61 MET CG C 32.3 0.2 1
514 51 61 MET CE C 17.3 0.2 1
515 51 61 MET N N 125.5 0.2 1
516 52 62 PHE H H 8.37 0.02 1
517 52 62 PHE HA H 4.84 0.02 1
518 52 62 PHE HB2 H 2.92 0.02 2
519 52 62 PHE HB3 H 3.43 0.02 2
520 52 62 PHE HD1 H 6.87 0.02 1
521 52 62 PHE HD2 H 6.87 0.02 1
522 52 62 PHE HE1 H 7.00 0.02 1
523 52 62 PHE HE2 H 7.00 0.02 1
524 52 62 PHE C C 172.6 0.2 1
525 52 62 PHE CA C 56.3 0.2 1
526 52 62 PHE CB C 39.1 0.2 1
527 52 62 PHE CD1 C 133.3 0.2 1
528 52 62 PHE CD2 C 133.3 0.2 1
529 52 62 PHE CE1 C 130.6 0.2 1
530 52 62 PHE CE2 C 130.6 0.2 1
531 52 62 PHE N N 118.4 0.2 1
532 53 63 VAL H H 9.07 0.02 1
533 53 63 VAL HA H 4.00 0.02 1
534 53 63 VAL HB H 1.99 0.02 1
535 53 63 VAL HG1 H 1.14 0.02 1
536 53 63 VAL HG2 H 0.88 0.02 1
537 53 63 VAL C C 176.2 0.2 1
538 53 63 VAL CA C 63.4 0.2 1
539 53 63 VAL CB C 32.2 0.2 1
540 53 63 VAL CG1 C 21.5 0.2 1
541 53 63 VAL CG2 C 23.3 0.2 1
542 53 63 VAL N N 123.4 0.2 1
543 54 64 SER H H 8.53 0.02 1
544 54 64 SER HA H 4.02 0.02 1
545 54 64 SER HB2 H 3.64 0.02 2
546 54 64 SER HB3 H 3.70 0.02 2
547 54 64 SER C C 176.2 0.2 1
548 54 64 SER CA C 60.0 0.2 1
549 54 64 SER CB C 63.9 0.2 1
550 54 64 SER N N 119.6 0.2 1
551 55 65 LYS H H 9.42 0.02 1
552 55 65 LYS HA H 4.62 0.02 1
553 55 65 LYS HB2 H 1.74 0.02 2
554 55 65 LYS HB3 H 2.08 0.02 2
555 55 65 LYS HG2 H 1.59 0.02 2
556 55 65 LYS HG3 H 1.65 0.02 2
557 55 65 LYS HD2 H 1.74 0.02 1
558 55 65 LYS HD3 H 1.74 0.02 1
559 55 65 LYS HE2 H 3.01 0.02 1
560 55 65 LYS HE3 H 3.01 0.02 1
561 55 65 LYS C C 177.1 0.2 1
562 55 65 LYS CA C 55.9 0.2 1
563 55 65 LYS CB C 33.0 0.2 1
564 55 65 LYS CG C 25.3 0.2 1
565 55 65 LYS CD C 28.9 0.2 1
566 55 65 LYS N N 126.3 0.2 1
567 56 66 SER H H 8.11 0.02 1
568 56 66 SER HA H 4.52 0.02 1
569 56 66 SER HB2 H 3.62 0.02 2
570 56 66 SER HB3 H 3.70 0.02 2
571 56 66 SER C C 174.4 0.2 1
572 56 66 SER CA C 59.1 0.2 1
573 56 66 SER CB C 64.9 0.2 1
574 56 66 SER N N 114.7 0.2 1
575 57 67 LEU H H 7.42 0.02 1
576 57 67 LEU HA H 4.27 0.02 1
577 57 67 LEU HB2 H 0.96 0.02 2
578 57 67 LEU HB3 H 1.27 0.02 2
579 57 67 LEU HG H 1.18 0.02 1
580 57 67 LEU HD1 H 0.08 0.02 1
581 57 67 LEU HD2 H 0.48 0.02 1
582 57 67 LEU C C 176.0 0.2 1
583 57 67 LEU CA C 53.7 0.2 1
584 57 67 LEU CB C 43.1 0.2 1
585 57 67 LEU CG C 27.0 0.2 1
586 57 67 LEU CD1 C 25.9 0.2 1
587 57 67 LEU CD2 C 22.2 0.2 1
588 57 67 LEU N N 122.8 0.2 1
589 58 68 ARG H H 8.26 0.02 1
590 58 68 ARG HA H 4.03 0.02 1
591 58 68 ARG HB2 H 1.77 0.02 1
592 58 68 ARG HB3 H 1.77 0.02 1
593 58 68 ARG HG2 H 1.46 0.02 2
594 58 68 ARG HG3 H 1.65 0.02 2
595 58 68 ARG HD2 H 3.16 0.02 2
596 58 68 ARG HD3 H 3.21 0.02 2
597 58 68 ARG C C 174.9 0.2 1
598 58 68 ARG CA C 57.7 0.2 1
599 58 68 ARG CB C 30.2 0.2 1
600 58 68 ARG CG C 27.6 0.2 1
601 58 68 ARG CD C 43.5 0.2 1
602 58 68 ARG N N 122.0 0.2 1
603 59 69 CYS H H 8.21 0.02 1
604 59 69 CYS HA H 4.95 0.02 1
605 59 69 CYS HB2 H 2.99 0.02 2
606 59 69 CYS HB3 H 3.13 0.02 2
607 59 69 CYS C C 173.3 0.2 1
608 59 69 CYS CA C 57.7 0.2 1
609 59 69 CYS CB C 28.9 0.2 1
610 59 69 CYS N N 123.1 0.2 1
611 60 70 ALA H H 9.61 0.02 1
612 60 70 ALA HA H 4.65 0.02 1
613 60 70 ALA HB H 1.60 0.02 1
614 60 70 ALA C C 175.2 0.2 1
615 60 70 ALA CA C 51.3 0.2 1
616 60 70 ALA CB C 22.6 0.2 1
617 60 70 ALA N N 128.4 0.2 1
618 61 71 ASP H H 8.59 0.02 1
619 61 71 ASP HA H 4.66 0.02 1
620 61 71 ASP HB2 H 2.75 0.02 1
621 61 71 ASP HB3 H 2.75 0.02 1
622 61 71 ASP C C 177.8 0.2 1
623 61 71 ASP CA C 56.6 0.2 1
624 61 71 ASP CB C 40.1 0.2 1
625 61 71 ASP N N 115.8 0.2 1
626 62 72 ASP H H 8.70 0.02 1
627 62 72 ASP HA H 4.62 0.02 1
628 62 72 ASP HB2 H 2.63 0.02 1
629 62 72 ASP HB3 H 2.82 0.02 1
630 62 72 ASP C C 176.2 0.2 1
631 62 72 ASP CA C 53.3 0.2 1
632 62 72 ASP CB C 40.6 0.2 1
633 62 72 ASP N N 113.5 0.2 1
634 63 73 VAL H H 7.29 0.02 1
635 63 73 VAL HA H 4.84 0.02 1
636 63 73 VAL HB H 2.05 0.02 1
637 63 73 VAL HG1 H 0.76 0.02 1
638 63 73 VAL HG2 H 0.52 0.02 1
639 63 73 VAL C C 169.9 0.2 1
640 63 73 VAL CA C 61.0 0.2 1
641 63 73 VAL CB C 33.3 0.2 1
642 63 73 VAL CG1 C 18.4 0.2 1
643 63 73 VAL CG2 C 21.4 0.2 1
644 63 73 VAL N N 120.6 0.2 1
645 64 74 ALA H H 8.20 0.02 1
646 64 74 ALA HA H 4.74 0.02 1
647 64 74 ALA HB H 1.14 0.02 1
648 64 74 ALA C C 173.4 0.2 1
649 64 74 ALA CA C 50.6 0.2 1
650 64 74 ALA CB C 23.1 0.2 1
651 64 74 ALA N N 125.1 0.2 1
652 65 75 TYR H H 8.01 0.02 1
653 65 75 TYR HA H 5.66 0.02 1
654 65 75 TYR HB2 H 2.42 0.02 2
655 65 75 TYR HB3 H 2.55 0.02 2
656 65 75 TYR HD1 H 6.96 0.02 1
657 65 75 TYR HD2 H 6.96 0.02 1
658 65 75 TYR HE1 H 6.73 0.02 1
659 65 75 TYR HE2 H 6.73 0.02 1
660 65 75 TYR C C 175.3 0.2 1
661 65 75 TYR CA C 56.4 0.2 1
662 65 75 TYR CB C 41.9 0.2 1
663 65 75 TYR CD1 C 133.7 0.2 1
664 65 75 TYR CD2 C 133.7 0.2 1
665 65 75 TYR CE1 C 118.3 0.2 1
666 65 75 TYR CE2 C 118.3 0.2 1
667 65 75 TYR N N 117.1 0.2 1
668 66 76 ILE H H 9.42 0.02 1
669 66 76 ILE HA H 4.20 0.02 1
670 66 76 ILE HB H 1.29 0.02 1
671 66 76 ILE HG12 H 1.37 0.02 2
672 66 76 ILE HG13 H 1.61 0.02 2
673 66 76 ILE HG2 H 0.49 0.02 1
674 66 76 ILE HD1 H 0.65 0.02 1
675 66 76 ILE C C 174.0 0.2 1
676 66 76 ILE CA C 59.7 0.2 1
677 66 76 ILE CB C 43.0 0.2 1
678 66 76 ILE CG1 C 27.7 0.2 1
679 66 76 ILE CG2 C 18.8 0.2 1
680 66 76 ILE CD1 C 14.5 0.2 1
681 66 76 ILE N N 121.7 0.2 1
682 67 77 ASN H H 8.59 0.02 1
683 67 77 ASN HA H 5.37 0.02 1
684 67 77 ASN HB2 H 0.29 0.02 2
685 67 77 ASN HB3 H 1.02 0.02 2
686 67 77 ASN C C 174.0 0.2 1
687 67 77 ASN CA C 51.7 0.2 1
688 67 77 ASN CB C 39.8 0.2 1
689 67 77 ASN N N 126.0 0.2 1
690 68 78 VAL H H 9.05 0.02 1
691 68 78 VAL HA H 4.98 0.02 1
692 68 78 VAL HB H 1.90 0.02 1
693 68 78 VAL HG1 H 0.96 0.02 1
694 68 78 VAL HG2 H 0.93 0.02 1
695 68 78 VAL C C 172.5 0.2 1
696 68 78 VAL CA C 59.4 0.2 1
697 68 78 VAL CB C 36.6 0.2 1
698 68 78 VAL CG1 C 20.1 0.2 1
699 68 78 VAL CG2 C 22.3 0.2 1
700 68 78 VAL N N 118.9 0.2 1
701 69 79 GLU H H 9.32 0.02 1
702 69 79 GLU HA H 5.86 0.02 1
703 69 79 GLU HB2 H 2.22 0.02 1
704 69 79 GLU HB3 H 2.22 0.02 1
705 69 79 GLU HG2 H 1.94 0.02 2
706 69 79 GLU HG3 H 2.55 0.02 2
707 69 79 GLU C C 178.1 0.2 1
708 69 79 GLU CA C 53.8 0.2 1
709 69 79 GLU CB C 33.8 0.2 1
710 69 79 GLU CG C 37.7 0.2 1
711 69 79 GLU N N 128.9 0.2 1
712 70 80 THR H H 9.38 0.02 1
713 70 80 THR HA H 4.40 0.02 1
714 70 80 THR HB H 5.08 0.02 1
715 70 80 THR HG1 H 6.05 0.02 1
716 70 80 THR HG2 H 1.42 0.02 1
717 70 80 THR C C 176.3 0.2 1
718 70 80 THR CA C 61.7 0.2 1
719 70 80 THR CB C 71.1 0.2 1
720 70 80 THR CG2 C 23.7 0.2 1
721 70 80 THR N N 118.2 0.2 1
722 71 81 LYS H H 10.06 0.02 1
723 71 81 LYS HA H 4.08 0.02 1
724 71 81 LYS HB2 H 1.66 0.02 2
725 71 81 LYS HB3 H 1.85 0.02 2
726 71 81 LYS HG2 H 1.41 0.02 1
727 71 81 LYS HG3 H 1.41 0.02 1
728 71 81 LYS HD2 H 1.55 0.02 1
729 71 81 LYS HD3 H 1.55 0.02 1
730 71 81 LYS HE2 H 2.69 0.02 2
731 71 81 LYS HE3 H 2.91 0.02 2
732 71 81 LYS C C 178.1 0.2 1
733 71 81 LYS CA C 59.2 0.2 1
734 71 81 LYS CB C 31.8 0.2 1
735 71 81 LYS CG C 26.0 0.2 1
736 71 81 LYS CD C 28.7 0.2 1
737 71 81 LYS CE C 41.7 0.2 1
738 71 81 LYS N N 121.0 0.2 1
739 72 82 GLU H H 8.33 0.02 1
740 72 82 GLU HA H 4.12 0.02 1
741 72 82 GLU HB2 H 2.08 0.02 1
742 72 82 GLU HB3 H 2.15 0.02 2
743 72 82 GLU HG2 H 2.26 0.02 1
744 72 82 GLU HG3 H 2.26 0.02 1
745 72 82 GLU C C 175.0 0.2 1
746 72 82 GLU CA C 57.4 0.2 1
747 72 82 GLU CB C 25.7 0.2 1
748 72 82 GLU N N 116.5 0.2 1
749 73 83 ARG H H 8.34 0.02 1
750 73 83 ARG HA H 3.86 0.02 1
751 73 83 ARG HB2 H 1.98 0.02 2
752 73 83 ARG HB3 H 2.26 0.02 2
753 73 83 ARG HG2 H 1.40 0.02 2
754 73 83 ARG HG3 H 1.54 0.02 2
755 73 83 ARG HD2 H 3.13 0.02 2
756 73 83 ARG HD3 H 3.21 0.02 2
757 73 83 ARG C C 175.3 0.2 1
758 73 83 ARG CA C 57.4 0.2 1
759 73 83 ARG CB C 25.9 0.2 1
760 73 83 ARG CG C 27.9 0.2 1
761 73 83 ARG CD C 43.1 0.2 1
762 73 83 ARG N N 111.2 0.2 1
763 74 84 ASN H H 6.81 0.02 1
764 74 84 ASN HA H 4.80 0.02 1
765 74 84 ASN HB2 H 2.66 0.02 1
766 74 84 ASN HB3 H 2.66 0.02 1
767 74 84 ASN HD21 H 7.19 0.02 2
768 74 84 ASN HD22 H 7.75 0.02 2
769 74 84 ASN C C 173.5 0.2 1
770 74 84 ASN CA C 52.8 0.2 1
771 74 84 ASN CB C 40.8 0.2 1
772 74 84 ASN N N 115.8 0.2 1
773 74 84 ASN ND2 N 114.8 0.2 1
774 75 85 ARG H H 7.99 0.02 1
775 75 85 ARG HA H 5.45 0.02 1
776 75 85 ARG HB2 H 1.16 0.02 2
777 75 85 ARG HB3 H 1.43 0.02 2
778 75 85 ARG C C 174.1 0.2 1
779 75 85 ARG CA C 55.3 0.2 1
780 75 85 ARG CB C 33.4 0.2 1
781 75 85 ARG N N 120.3 0.2 1
782 76 86 TYR H H 8.89 0.02 1
783 76 86 TYR HA H 5.00 0.02 1
784 76 86 TYR HB2 H 2.38 0.02 2
785 76 86 TYR HB3 H 2.93 0.02 2
786 76 86 TYR HD1 H 6.96 0.02 1
787 76 86 TYR HD2 H 6.96 0.02 1
788 76 86 TYR HE1 H 6.76 0.02 1
789 76 86 TYR HE2 H 6.76 0.02 1
790 76 86 TYR C C 173.1 0.2 1
791 76 86 TYR CA C 55.6 0.2 1
792 76 86 TYR CB C 43.4 0.2 1
793 76 86 TYR CD1 C 133.4 0.2 1
794 76 86 TYR CD2 C 133.4 0.2 1
795 76 86 TYR CE1 C 118.0 0.2 1
796 76 86 TYR CE2 C 118.0 0.2 1
797 76 86 TYR N N 113.8 0.2 1
798 77 87 CYS H H 8.12 0.02 1
799 77 87 CYS HA H 5.16 0.02 1
800 77 87 CYS HB2 H 2.88 0.02 2
801 77 87 CYS HB3 H 3.50 0.02 2
802 77 87 CYS C C 173.7 0.2 1
803 77 87 CYS CA C 58.1 0.2 1
804 77 87 CYS CB C 28.5 0.2 1
805 77 87 CYS N N 122.4 0.2 1
806 78 88 LEU H H 9.84 0.02 1
807 78 88 LEU HA H 5.27 0.02 1
808 78 88 LEU HB2 H 1.04 0.02 2
809 78 88 LEU HB3 H 1.79 0.02 2
810 78 88 LEU HG H 1.70 0.02 1
811 78 88 LEU HD1 H 0.47 0.02 1
812 78 88 LEU HD2 H 0.58 0.02 1
813 78 88 LEU C C 175.1 0.2 1
814 78 88 LEU CA C 52.4 0.2 1
815 78 88 LEU CB C 44.3 0.2 1
816 78 88 LEU CG C 27.0 0.2 1
817 78 88 LEU CD1 C 25.1 0.2 1
818 78 88 LEU CD2 C 24.5 0.2 1
819 78 88 LEU N N 128.4 0.2 1
820 79 89 GLU H H 9.41 0.02 1
821 79 89 GLU HA H 4.34 0.02 1
822 79 89 GLU HB2 H 2.03 0.02 1
823 79 89 GLU HB3 H 2.03 0.02 1
824 79 89 GLU HG2 H 1.78 0.02 1
825 79 89 GLU HG3 H 1.78 0.02 1
826 79 89 GLU C C 174.1 0.2 1
827 79 89 GLU CA C 55.2 0.2 1
828 79 89 GLU CB C 35.0 0.2 1
829 79 89 GLU CG C 37.7 0.2 1
830 79 89 GLU N N 123.6 0.2 1
831 80 90 LEU H H 8.98 0.02 1
832 80 90 LEU HA H 5.15 0.02 1
833 80 90 LEU HB2 H 0.95 0.02 2
834 80 90 LEU HB3 H 1.68 0.02 2
835 80 90 LEU HG H 1.60 0.02 1
836 80 90 LEU HD1 H 0.78 0.02 1
837 80 90 LEU HD2 H 0.69 0.02 1
838 80 90 LEU C C 174.4 0.2 1
839 80 90 LEU CA C 54.4 0.2 1
840 80 90 LEU CB C 44.0 0.2 1
841 80 90 LEU CG C 27.3 0.2 1
842 80 90 LEU CD1 C 22.9 0.2 1
843 80 90 LEU CD2 C 27.2 0.2 1
844 80 90 LEU N N 131.1 0.2 1
845 81 91 THR H H 8.50 0.02 1
846 81 91 THR HA H 4.75 0.02 1
847 81 91 THR HB H 4.55 0.02 1
848 81 91 THR HG2 H 1.34 0.02 1
849 81 91 THR C C 176.9 0.2 1
850 81 91 THR CA C 60.6 0.2 1
851 81 91 THR CB C 74.9 0.2 1
852 81 91 THR CG2 C 21.8 0.2 1
853 81 91 THR N N 114.6 0.2 1
854 82 92 GLU H H 9.41 0.02 1
855 82 92 GLU HA H 4.01 0.02 1
856 82 92 GLU HB2 H 2.04 0.02 1
857 82 92 GLU HB3 H 2.04 0.02 1
858 82 92 GLU HG2 H 2.27 0.02 1
859 82 92 GLU HG3 H 2.27 0.02 1
860 82 92 GLU C C 176.3 0.2 1
861 82 92 GLU CA C 58.9 0.2 1
862 82 92 GLU CB C 29.4 0.2 1
863 82 92 GLU CG C 36.2 0.2 1
864 82 92 GLU N N 120.3 0.2 1
865 83 93 ALA H H 7.58 0.02 1
866 83 93 ALA HA H 3.97 0.02 1
867 83 93 ALA HB H 0.68 0.02 1
868 83 93 ALA C C 176.3 0.2 1
869 83 93 ALA CA C 52.8 0.2 1
870 83 93 ALA CB C 18.5 0.2 1
871 83 93 ALA N N 119.4 0.2 1
872 84 94 GLY H H 7.64 0.02 1
873 84 94 GLY HA2 H 3.63 0.02 2
874 84 94 GLY HA3 H 4.62 0.02 2
875 84 94 GLY C C 171.4 0.2 1
876 84 94 GLY CA C 43.8 0.2 1
877 84 94 GLY N N 105.8 0.2 1
878 85 95 LEU H H 9.02 0.02 1
879 85 95 LEU HA H 5.72 0.02 1
880 85 95 LEU HB2 H 1.32 0.02 1
881 85 95 LEU HB3 H 1.32 0.02 1
882 85 95 LEU HG H 1.55 0.02 1
883 85 95 LEU HD1 H 0.65 0.02 1
884 85 95 LEU HD2 H 0.65 0.02 1
885 85 95 LEU C C 176.0 0.2 1
886 85 95 LEU CA C 53.8 0.2 1
887 85 95 LEU CB C 46.4 0.2 1
888 85 95 LEU CG C 28.0 0.2 1
889 85 95 LEU CD1 C 25.8 0.2 1
890 85 95 LEU CD2 C 26.8 0.2 1
891 85 95 LEU N N 120.9 0.2 1
892 86 96 LYS H H 8.51 0.02 1
893 86 96 LYS HA H 4.87 0.02 1
894 86 96 LYS HB2 H 1.30 0.02 1
895 86 96 LYS HB3 H 1.30 0.02 1
896 86 96 LYS HG2 H 0.70 0.02 2
897 86 96 LYS HG3 H 0.95 0.02 2
898 86 96 LYS HD2 H 0.74 0.02 2
899 86 96 LYS HD3 H 0.89 0.02 2
900 86 96 LYS HE2 H 2.52 0.02 2
901 86 96 LYS HE3 H 2.63 0.02 2
902 86 96 LYS C C 175.6 0.2 1
903 86 96 LYS CA C 54.4 0.2 1
904 86 96 LYS CB C 37.8 0.2 1
905 86 96 LYS CG C 29.0 0.2 1
906 86 96 LYS CD C 23.6 0.2 1
907 86 96 LYS CE C 42.3 0.2 1
908 86 96 LYS N N 119.8 0.2 1
909 87 97 VAL H H 9.34 0.02 1
910 87 97 VAL HA H 4.00 0.02 1
911 87 97 VAL HB H 1.95 0.02 1
912 87 97 VAL HG1 H 0.84 0.02 1
913 87 97 VAL HG2 H 0.86 0.02 1
914 87 97 VAL C C 176.1 0.2 1
915 87 97 VAL CA C 64.5 0.2 1
916 87 97 VAL CB C 32.8 0.2 1
917 87 97 VAL CG1 C 22.3 0.2 1
918 87 97 VAL CG2 C 22.5 0.2 1
919 87 97 VAL N N 125.6 0.2 1
920 88 98 VAL H H 9.23 0.02 1
921 88 98 VAL HA H 4.75 0.02 1
922 88 98 VAL HB H 2.58 0.02 1
923 88 98 VAL HG1 H 0.98 0.02 1
924 88 98 VAL HG2 H 1.00 0.02 1
925 88 98 VAL C C 173.8 0.2 1
926 88 98 VAL CA C 60.9 0.2 1
927 88 98 VAL CB C 33.1 0.2 1
928 88 98 VAL CG1 C 23.6 0.2 1
929 88 98 VAL CG2 C 19.2 0.2 1
930 88 98 VAL N N 119.1 0.2 1
931 89 99 GLY H H 7.66 0.02 1
932 89 99 GLY HA2 H 4.04 0.02 2
933 89 99 GLY HA3 H 4.30 0.02 2
934 89 99 GLY C C 172.5 0.2 1
935 89 99 GLY CA C 45.5 0.2 1
936 89 99 GLY N N 107.6 0.2 1
937 90 100 TYR H H 8.62 0.02 1
938 90 100 TYR HA H 5.09 0.02 1
939 90 100 TYR HB2 H 2.50 0.02 2
940 90 100 TYR HB3 H 3.47 0.02 2
941 90 100 TYR HD1 H 7.20 0.02 1
942 90 100 TYR HD2 H 7.20 0.02 1
943 90 100 TYR HE1 H 6.89 0.02 1
944 90 100 TYR HE2 H 6.89 0.02 1
945 90 100 TYR C C 173.7 0.2 1
946 90 100 TYR CA C 57.3 0.2 1
947 90 100 TYR CB C 37.1 0.2 1
948 90 100 TYR CD1 C 132.8 0.2 1
949 90 100 TYR CD2 C 132.8 0.2 1
950 90 100 TYR CE1 C 117.9 0.2 1
951 90 100 TYR CE2 C 117.9 0.2 1
952 90 100 TYR N N 121.6 0.2 1
953 91 101 ALA H H 7.35 0.02 1
954 91 101 ALA HA H 3.81 0.02 1
955 91 101 ALA HB H 1.24 0.02 1
956 91 101 ALA C C 175.1 0.2 1
957 91 101 ALA CA C 50.6 0.2 1
958 91 101 ALA CB C 21.6 0.2 1
959 91 101 ALA N N 118.0 0.2 1
960 92 102 PHE H H 8.25 0.02 1
961 92 102 PHE HA H 4.60 0.02 1
962 92 102 PHE HB2 H 2.87 0.02 1
963 92 102 PHE HB3 H 3.04 0.02 1
964 92 102 PHE HD1 H 7.20 0.02 1
965 92 102 PHE HD2 H 7.20 0.02 1
966 92 102 PHE C C 177.5 0.2 1
967 92 102 PHE CA C 54.4 0.2 1
968 92 102 PHE CB C 36.6 0.2 1
969 92 102 PHE CD1 C 130.2 0.2 1
970 92 102 PHE CD2 C 130.2 0.2 1
971 92 102 PHE N N 116.7 0.2 1
972 93 103 ASP H H 9.40 0.02 1
973 93 103 ASP HA H 4.31 0.02 1
974 93 103 ASP HB3 H 2.75 0.02 1
975 93 103 ASP C C 173.0 0.2 1
976 93 103 ASP CA C 56.3 0.2 1
977 93 103 ASP CB C 39.6 0.2 1
978 93 103 ASP N N 116.1 0.2 1
979 94 104 GLN H H 7.00 0.02 1
980 94 104 GLN HA H 4.33 0.02 1
981 94 104 GLN HB2 H 1.59 0.02 2
982 94 104 GLN HB3 H 1.91 0.02 2
983 94 104 GLN HG2 H 2.05 0.02 2
984 94 104 GLN HG3 H 2.29 0.02 2
985 94 104 GLN HE21 H 6.84 0.02 2
986 94 104 GLN HE22 H 7.59 0.02 2
987 94 104 GLN C C 172.0 0.2 1
988 94 104 GLN CA C 55.2 0.2 1
989 94 104 GLN CB C 31.9 0.2 1
990 94 104 GLN CG C 34.7 0.2 1
991 94 104 GLN N N 118.6 0.2 1
992 94 104 GLN NE2 N 112.3 0.2 1
993 95 105 VAL H H 7.77 0.02 1
994 95 105 VAL HA H 3.99 0.02 1
995 95 105 VAL HB H 1.77 0.02 1
996 95 105 VAL HG1 H 0.77 0.02 1
997 95 105 VAL HG2 H 0.44 0.02 1
998 95 105 VAL C C 175.6 0.2 1
999 95 105 VAL CA C 61.0 0.2 1
1000 95 105 VAL CB C 33.3 0.2 1
1001 95 105 VAL CG1 C 21.0 0.2 1
1002 95 105 VAL CG2 C 21.6 0.2 1
1003 95 105 VAL N N 122.3 0.2 1
1004 96 106 ASP H H 9.35 0.02 1
1005 96 106 ASP HA H 4.82 0.02 1
1006 96 106 ASP HB2 H 2.51 0.02 2
1007 96 106 ASP HB3 H 3.01 0.02 2
1008 96 106 ASP C C 176.9 0.2 1
1009 96 106 ASP CA C 52.9 0.2 1
1010 96 106 ASP CB C 41.5 0.2 1
1011 96 106 ASP N N 128.6 0.2 1
1012 97 107 ASP H H 8.72 0.02 1
1013 97 107 ASP HA H 4.41 0.02 1
1014 97 107 ASP HB2 H 2.55 0.02 1
1015 97 107 ASP HB3 H 2.55 0.02 1
1016 97 107 ASP C C 176.7 0.2 1
1017 97 107 ASP CA C 55.7 0.2 1
1018 97 107 ASP CB C 40.7 0.2 1
1019 97 107 ASP N N 124.2 0.2 1
1020 98 108 HIS H H 8.79 0.02 1
1021 98 108 HIS HA H 4.66 0.02 1
1022 98 108 HIS HB2 H 3.25 0.02 2
1023 98 108 HIS HB3 H 3.38 0.02 2
1024 98 108 HIS HD2 H 7.27 0.02 1
1025 98 108 HIS C C 176.7 0.2 1
1026 98 108 HIS CA C 55.8 0.2 1
1027 98 108 HIS CB C 28.9 0.2 1
1028 98 108 HIS CD2 C 119.9 0.2 1
1029 98 108 HIS N N 116.3 0.2 1
1030 99 109 LEU H H 7.36 0.02 1
1031 99 109 LEU HA H 4.24 0.02 1
1032 99 109 LEU HB2 H 1.65 0.02 2
1033 99 109 LEU HB3 H 1.75 0.02 2
1034 99 109 LEU HG H 1.66 0.02 1
1035 99 109 LEU HD1 H 0.89 0.02 1
1036 99 109 LEU HD2 H 0.82 0.02 1
1037 99 109 LEU C C 177.2 0.2 1
1038 99 109 LEU CA C 55.7 0.2 1
1039 99 109 LEU CB C 43.0 0.2 1
1040 99 109 LEU CG C 27.0 0.2 1
1041 99 109 LEU CD1 C 24.7 0.2 1
1042 99 109 LEU CD2 C 23.8 0.2 1
1043 99 109 LEU N N 121.2 0.2 1
1044 100 110 GLN H H 8.83 0.02 1
1045 100 110 GLN HA H 4.57 0.02 1
1046 100 110 GLN HB2 H 1.93 0.02 2
1047 100 110 GLN HB3 H 2.15 0.02 2
1048 100 110 GLN HG2 H 2.32 0.02 1
1049 100 110 GLN HG3 H 2.32 0.02 1
1050 100 110 GLN C C 175.2 0.2 1
1051 100 110 GLN CA C 55.3 0.2 1
1052 100 110 GLN CB C 28.2 0.2 1
1053 100 110 GLN N N 125.2 0.2 1
1054 101 111 THR H H 7.51 0.02 1
1055 101 111 THR HA H 4.59 0.02 1
1056 101 111 THR HB H 4.65 0.02 1
1057 101 111 THR HG2 H 1.22 0.02 1
1058 101 111 THR CA C 58.0 0.2 1
1059 101 111 THR CB C 68.6 0.2 1
1060 101 111 THR CG2 C 23.4 0.2 1
1061 101 111 THR N N 113.8 0.2 1
1062 102 112 PRO HA H 4.50 0.02 1
1063 102 112 PRO HB2 H 1.68 0.02 2
1064 102 112 PRO HB3 H 2.11 0.02 2
1065 102 112 PRO HG2 H 1.88 0.02 2
1066 102 112 PRO HG3 H 2.01 0.02 2
1067 102 112 PRO HD2 H 3.72 0.02 2
1068 102 112 PRO HD3 H 3.76 0.02 2
1069 102 112 PRO C C 176.2 0.2 1
1070 102 112 PRO CA C 62.1 0.2 1
1071 102 112 PRO CB C 32.5 0.2 1
1072 102 112 PRO CG C 27.0 0.2 1
1073 102 112 PRO CD C 50.3 0.2 1
1074 103 113 TYR H H 8.16 0.02 1
1075 103 113 TYR HA H 4.53 0.02 1
1076 103 113 TYR HB2 H 2.68 0.02 1
1077 103 113 TYR HB3 H 2.68 0.02 1
1078 103 113 TYR HD1 H 6.81 0.02 1
1079 103 113 TYR HD2 H 6.81 0.02 1
1080 103 113 TYR HE1 H 6.85 0.02 1
1081 103 113 TYR HE2 H 6.85 0.02 1
1082 103 113 TYR C C 177.2 0.2 1
1083 103 113 TYR CA C 59.1 0.2 1
1084 103 113 TYR CB C 40.0 0.2 1
1085 103 113 TYR CD1 C 133.1 0.2 1
1086 103 113 TYR CD2 C 133.1 0.2 1
1087 103 113 TYR CE1 C 118.6 0.2 1
1088 103 113 TYR CE2 C 118.6 0.2 1
1089 103 113 TYR N N 115.9 0.2 1
1090 104 114 HIS H H 9.66 0.02 1
1091 104 114 HIS HA H 4.64 0.02 1
1092 104 114 HIS HB2 H 2.85 0.02 2
1093 104 114 HIS HB3 H 3.18 0.02 2
1094 104 114 HIS HE1 H 7.62 0.02 1
1095 104 114 HIS C C 175.9 0.2 1
1096 104 114 HIS CA C 55.7 0.2 1
1097 104 114 HIS CB C 34.4 0.2 1
1098 104 114 HIS CE1 C 137.9 0.2 1
1099 104 114 HIS N N 122.3 0.2 1
1100 105 115 GLU H H 9.29 0.02 1
1101 105 115 GLU HA H 4.22 0.02 1
1102 105 115 GLU HB2 H 2.14 0.02 1
1103 105 115 GLU HB3 H 2.14 0.02 1
1104 105 115 GLU HG2 H 2.36 0.02 2
1105 105 115 GLU HG3 H 2.43 0.02 2
1106 105 115 GLU C C 176.9 0.2 1
1107 105 115 GLU CA C 59.2 0.2 1
1108 105 115 GLU CB C 30.8 0.2 1
1109 105 115 GLU CG C 36.7 0.2 1
1110 105 115 GLU N N 121.2 0.2 1
1111 106 116 THR H H 7.36 0.02 1
1112 106 116 THR HA H 4.69 0.02 1
1113 106 116 THR HB H 4.37 0.02 1
1114 106 116 THR HG2 H 1.32 0.02 1
1115 106 116 THR C C 174.4 0.2 1
1116 106 116 THR CA C 58.5 0.2 1
1117 106 116 THR CB C 74.4 0.2 1
1118 106 116 THR CG2 C 21.6 0.2 1
1119 106 116 THR N N 102.2 0.2 1
1120 107 117 VAL H H 9.39 0.02 1
1121 107 117 VAL HA H 3.51 0.02 1
1122 107 117 VAL HB H 1.66 0.02 1
1123 107 117 VAL HG1 H 0.25 0.02 1
1124 107 117 VAL HG2 H 0.55 0.02 1
1125 107 117 VAL C C 174.7 0.2 1
1126 107 117 VAL CA C 63.3 0.2 1
1127 107 117 VAL CB C 31.2 0.2 1
1128 107 117 VAL CG1 C 19.2 0.2 1
1129 107 117 VAL CG2 C 21.6 0.2 1
1130 107 117 VAL N N 120.2 0.2 1
1131 108 118 TYR H H 6.49 0.02 1
1132 108 118 TYR HA H 4.03 0.02 1
1133 108 118 TYR HB2 H 2.64 0.02 1
1134 108 118 TYR HB3 H 3.29 0.02 1
1135 108 118 TYR HD1 H 7.11 0.02 1
1136 108 118 TYR HD2 H 7.11 0.02 1
1137 108 118 TYR HE1 H 6.87 0.02 1
1138 108 118 TYR HE2 H 6.87 0.02 1
1139 108 118 TYR C C 177.4 0.2 1
1140 108 118 TYR CA C 59.1 0.2 1
1141 108 118 TYR CB C 37.2 0.2 1
1142 108 118 TYR CD1 C 132.9 0.2 1
1143 108 118 TYR CD2 C 132.9 0.2 1
1144 108 118 TYR CE1 C 118.9 0.2 1
1145 108 118 TYR CE2 C 118.9 0.2 1
1146 108 118 TYR N N 121.1 0.2 1
1147 109 119 SER H H 7.38 0.02 1
1148 109 119 SER HA H 4.21 0.02 1
1149 109 119 SER HB2 H 4.08 0.02 2
1150 109 119 SER HB3 H 4.13 0.02 2
1151 109 119 SER C C 176.9 0.2 1
1152 109 119 SER CA C 60.5 0.2 1
1153 109 119 SER CB C 62.4 0.2 1
1154 109 119 SER N N 111.5 0.2 1
1155 110 120 LEU H H 6.76 0.02 1
1156 110 120 LEU HA H 2.65 0.02 1
1157 110 120 LEU HB2 H 0.92 0.02 2
1158 110 120 LEU HB3 H 1.38 0.02 2
1159 110 120 LEU HG H 0.90 0.02 1
1160 110 120 LEU HD1 H 0.47 0.02 1
1161 110 120 LEU HD2 H 0.42 0.02 1
1162 110 120 LEU C C 179.3 0.2 1
1163 110 120 LEU CA C 58.0 0.2 1
1164 110 120 LEU CB C 42.0 0.2 1
1165 110 120 LEU CG C 27.2 0.2 1
1166 110 120 LEU CD1 C 24.5 0.2 1
1167 110 120 LEU CD2 C 26.8 0.2 1
1168 110 120 LEU N N 121.1 0.2 1
1169 111 121 LEU H H 8.36 0.02 1
1170 111 121 LEU HA H 3.34 0.02 1
1171 111 121 LEU HB2 H 0.14 0.02 2
1172 111 121 LEU HB3 H 0.69 0.02 2
1173 111 121 LEU HG H 1.22 0.02 1
1174 111 121 LEU HD1 H 0.29 0.02 1
1175 111 121 LEU HD2 H 0.31 0.02 1
1176 111 121 LEU C C 177.9 0.2 1
1177 111 121 LEU CA C 58.2 0.2 1
1178 111 121 LEU CB C 38.8 0.2 1
1179 111 121 LEU CG C 26.6 0.2 1
1180 111 121 LEU CD1 C 26.4 0.2 1
1181 111 121 LEU CD2 C 21.9 0.2 1
1182 111 121 LEU N N 120.4 0.2 1
1183 112 122 ASP H H 7.67 0.02 1
1184 112 122 ASP HA H 4.40 0.02 1
1185 112 122 ASP HB2 H 2.68 0.02 2
1186 112 122 ASP HB3 H 2.94 0.02 2
1187 112 122 ASP C C 177.5 0.2 1
1188 112 122 ASP CA C 58.0 0.2 1
1189 112 122 ASP CB C 42.5 0.2 1
1190 112 122 ASP N N 118.1 0.2 1
1191 113 123 THR H H 7.17 0.02 1
1192 113 123 THR HA H 4.24 0.02 1
1193 113 123 THR HB H 4.28 0.02 1
1194 113 123 THR HG2 H 1.43 0.02 1
1195 113 123 THR C C 175.8 0.2 1
1196 113 123 THR CA C 64.2 0.2 1
1197 113 123 THR CB C 70.0 0.2 1
1198 113 123 THR CG2 C 22.0 0.2 1
1199 113 123 THR N N 107.2 0.2 1
1200 114 124 LEU H H 7.33 0.02 1
1201 114 124 LEU HA H 4.38 0.02 1
1202 114 124 LEU HB2 H 1.26 0.02 1
1203 114 124 LEU HB3 H 1.26 0.02 1
1204 114 124 LEU HG H 1.48 0.02 1
1205 114 124 LEU HD1 H -0.27 0.02 1
1206 114 124 LEU HD2 H 0.46 0.02 1
1207 114 124 LEU C C 178.3 0.2 1
1208 114 124 LEU CA C 56.0 0.2 1
1209 114 124 LEU CB C 44.3 0.2 1
1210 114 124 LEU CG C 25.2 0.2 1
1211 114 124 LEU CD1 C 23.3 0.2 1
1212 114 124 LEU CD2 C 21.0 0.2 1
1213 114 124 LEU N N 118.2 0.2 1
1214 115 125 SER H H 8.05 0.02 1
1215 115 125 SER HA H 5.29 0.02 1
1216 115 125 SER HB2 H 3.66 0.02 2
1217 115 125 SER HB3 H 4.05 0.02 2
1218 115 125 SER CA C 53.6 0.2 1
1219 115 125 SER CB C 63.4 0.2 1
1220 115 125 SER N N 111.9 0.2 1
1221 116 126 PRO HA H 4.28 0.02 1
1222 116 126 PRO HB2 H 2.04 0.02 2
1223 116 126 PRO HB3 H 2.48 0.02 2
1224 116 126 PRO HG2 H 2.02 0.02 2
1225 116 126 PRO HG3 H 2.24 0.02 2
1226 116 126 PRO HD2 H 3.69 0.02 2
1227 116 126 PRO HD3 H 3.93 0.02 2
1228 116 126 PRO C C 174.3 0.2 1
1229 116 126 PRO CA C 65.3 0.2 1
1230 116 126 PRO CB C 32.3 0.2 1
1231 116 126 PRO CG C 27.7 0.2 1
1232 116 126 PRO CD C 51.0 0.2 1
1233 117 127 ALA H H 9.85 0.02 1
1234 117 127 ALA HA H 4.27 0.02 1
1235 117 127 ALA HB H 1.43 0.02 1
1236 117 127 ALA C C 174.3 0.2 1
1237 117 127 ALA CA C 55.2 0.2 1
1238 117 127 ALA CB C 19.2 0.2 1
1239 117 127 ALA N N 120.5 0.2 1
1240 118 128 TYR H H 8.27 0.02 1
1241 118 128 TYR HA H 4.41 0.02 1
1242 118 128 TYR HB2 H 2.96 0.02 2
1243 118 128 TYR HB3 H 3.56 0.02 2
1244 118 128 TYR HD1 H 6.89 0.02 1
1245 118 128 TYR HD2 H 6.89 0.02 1
1246 118 128 TYR HE1 H 6.59 0.02 1
1247 118 128 TYR HE2 H 6.59 0.02 1
1248 118 128 TYR C C 176.5 0.2 1
1249 118 128 TYR CA C 61.0 0.2 1
1250 118 128 TYR CB C 37.7 0.2 1
1251 118 128 TYR CD1 C 133.3 0.2 1
1252 118 128 TYR CD2 C 133.3 0.2 1
1253 118 128 TYR CE1 C 118.2 0.2 1
1254 118 128 TYR CE2 C 118.2 0.2 1
1255 118 128 TYR N N 122.3 0.2 1
1256 119 129 ARG H H 8.02 0.02 1
1257 119 129 ARG HA H 3.79 0.02 1
1258 119 129 ARG HB2 H 2.00 0.02 2
1259 119 129 ARG HB3 H 2.25 0.02 2
1260 119 129 ARG HG2 H 1.80 0.02 2
1261 119 129 ARG HG3 H 2.03 0.02 2
1262 119 129 ARG HD2 H 3.27 0.02 2
1263 119 129 ARG HD3 H 3.45 0.02 2
1264 119 129 ARG C C 179.6 0.2 1
1265 119 129 ARG CA C 59.9 0.2 1
1266 119 129 ARG CB C 30.6 0.2 1
1267 119 129 ARG CG C 27.3 0.2 1
1268 119 129 ARG CD C 44.0 0.2 1
1269 119 129 ARG N N 120.7 0.2 1
1270 120 130 GLU H H 7.98 0.02 1
1271 120 130 GLU HA H 4.08 0.02 1
1272 120 130 GLU HB2 H 2.08 0.02 1
1273 120 130 GLU HB3 H 2.08 0.02 1
1274 120 130 GLU HG2 H 2.25 0.02 2
1275 120 130 GLU HG3 H 2.36 0.02 2
1276 120 130 GLU C C 177.9 0.2 1
1277 120 130 GLU CA C 58.8 0.2 1
1278 120 130 GLU CB C 30.1 0.2 1
1279 120 130 GLU CG C 36.2 0.2 1
1280 120 130 GLU N N 118.3 0.2 1
1281 121 131 ALA H H 7.85 0.02 1
1282 121 131 ALA HA H 4.20 0.02 1
1283 121 131 ALA HB H 1.34 0.02 1
1284 121 131 ALA C C 179.8 0.2 1
1285 121 131 ALA CA C 54.6 0.2 1
1286 121 131 ALA CB C 18.8 0.2 1
1287 121 131 ALA N N 121.1 0.2 1
1288 122 132 PHE H H 8.72 0.02 1
1289 122 132 PHE HA H 4.30 0.02 1
1290 122 132 PHE HB2 H 2.39 0.02 2
1291 122 132 PHE HB3 H 2.80 0.02 2
1292 122 132 PHE HD1 H 7.11 0.02 1
1293 122 132 PHE HD2 H 7.11 0.02 1
1294 122 132 PHE HE1 H 7.38 0.02 1
1295 122 132 PHE HE2 H 7.38 0.02 1
1296 122 132 PHE HZ H 7.02 0.02 3
1297 122 132 PHE C C 177.4 0.2 1
1298 122 132 PHE CA C 60.8 0.2 1
1299 122 132 PHE CB C 40.1 0.2 1
1300 122 132 PHE CD1 C 132.0 0.2 1
1301 122 132 PHE CD2 C 132.0 0.2 1
1302 122 132 PHE CE1 C 131.4 0.2 1
1303 122 132 PHE CE2 C 131.4 0.2 1
1304 122 132 PHE CZ C 129.7 0.2 3
1305 122 132 PHE N N 118.4 0.2 1
1306 123 133 GLY H H 8.05 0.02 1
1307 123 133 GLY HA2 H 3.85 0.02 2
1308 123 133 GLY HA3 H 4.02 0.02 2
1309 123 133 GLY C C 175.8 0.2 1
1310 123 133 GLY CA C 47.0 0.2 1
1311 123 133 GLY N N 106.9 0.2 1
1312 124 134 ASN H H 8.35 0.02 1
1313 124 134 ASN HA H 4.58 0.02 1
1314 124 134 ASN HB2 H 2.80 0.02 2
1315 124 134 ASN HB3 H 2.87 0.02 2
1316 124 134 ASN HD21 H 7.00 0.02 2
1317 124 134 ASN HD22 H 7.66 0.02 2
1318 124 134 ASN C C 176.9 0.2 1
1319 124 134 ASN CA C 55.2 0.2 1
1320 124 134 ASN CB C 38.5 0.2 1
1321 124 134 ASN N N 119.7 0.2 1
1322 124 134 ASN ND2 N 112.5 0.2 1
1323 125 135 ALA H H 7.95 0.02 1
1324 125 135 ALA HA H 4.12 0.02 1
1325 125 135 ALA HB H 1.33 0.02 1
1326 125 135 ALA C C 179.6 0.2 1
1327 125 135 ALA CA C 54.6 0.2 1
1328 125 135 ALA CB C 18.5 0.2 1
1329 125 135 ALA N N 123.1 0.2 1
1330 126 136 LEU H H 7.86 0.02 1
1331 126 136 LEU HA H 3.98 0.02 1
1332 126 136 LEU HB2 H 1.60 0.02 1
1333 126 136 LEU HB3 H 1.60 0.02 1
1334 126 136 LEU HG H 1.54 0.02 1
1335 126 136 LEU HD1 H 0.80 0.02 1
1336 126 136 LEU HD2 H 0.83 0.02 1
1337 126 136 LEU C C 178.7 0.2 1
1338 126 136 LEU CA C 57.6 0.2 1
1339 126 136 LEU CB C 41.6 0.2 1
1340 126 136 LEU CG C 27.2 0.2 1
1341 126 136 LEU CD1 C 24.2 0.2 1
1342 126 136 LEU CD2 C 24.4 0.2 1
1343 126 136 LEU N N 119.6 0.2 1
1344 127 137 LEU H H 7.76 0.02 1
1345 127 137 LEU HA H 4.06 0.02 1
1346 127 137 LEU HB2 H 1.59 0.02 2
1347 127 137 LEU HB3 H 1.78 0.02 2
1348 127 137 LEU HG H 1.74 0.02 1
1349 127 137 LEU HD1 H 0.92 0.02 1
1350 127 137 LEU HD2 H 0.86 0.02 1
1351 127 137 LEU C C 179.2 0.2 1
1352 127 137 LEU CA C 57.6 0.2 1
1353 127 137 LEU CB C 41.6 0.2 1
1354 127 137 LEU CG C 27.1 0.2 1
1355 127 137 LEU CD1 C 25.0 0.2 1
1356 127 137 LEU CD2 C 23.5 0.2 1
1357 127 137 LEU N N 119.2 0.2 1
1358 128 138 GLN H H 7.94 0.02 1
1359 128 138 GLN HA H 4.07 0.02 1
1360 128 138 GLN HB2 H 2.07 0.02 1
1361 128 138 GLN HB3 H 2.07 0.02 1
1362 128 138 GLN HG2 H 2.38 0.02 2
1363 128 138 GLN HG3 H 2.44 0.02 2
1364 128 138 GLN HE21 H 6.79 0.02 2
1365 128 138 GLN HE22 H 7.43 0.02 2
1366 128 138 GLN C C 178.2 0.2 1
1367 128 138 GLN CA C 58.1 0.2 1
1368 128 138 GLN CB C 28.5 0.2 1
1369 128 138 GLN CG C 34.1 0.2 1
1370 128 138 GLN N N 118.0 0.2 1
1371 128 138 GLN NE2 N 111.8 0.2 1
1372 129 139 ARG H H 7.93 0.02 1
1373 129 139 ARG HA H 4.13 0.02 1
1374 129 139 ARG HB2 H 1.88 0.02 1
1375 129 139 ARG HB3 H 1.88 0.02 1
1376 129 139 ARG HG2 H 1.58 0.02 2
1377 129 139 ARG HG3 H 1.70 0.02 2
1378 129 139 ARG HD2 H 3.11 0.02 1
1379 129 139 ARG HD3 H 3.11 0.02 1
1380 129 139 ARG C C 178.1 0.2 1
1381 129 139 ARG CA C 58.4 0.2 1
1382 129 139 ARG CB C 30.1 0.2 1
1383 129 139 ARG CG C 27.4 0.2 1
1384 129 139 ARG CD C 43.6 0.2 1
1385 129 139 ARG N N 120.6 0.2 1
1386 130 140 LEU H H 8.08 0.02 1
1387 130 140 LEU HA H 4.12 0.02 1
1388 130 140 LEU HB2 H 1.56 0.02 2
1389 130 140 LEU HB3 H 1.58 0.02 2
1390 130 140 LEU HG H 1.74 0.02 1
1391 130 140 LEU HD1 H 0.84 0.02 2
1392 130 140 LEU HD2 H 0.86 0.02 2
1393 130 140 LEU C C 179.3 0.2 1
1394 130 140 LEU CA C 57.2 0.2 1
1395 130 140 LEU CB C 41.8 0.2 1
1396 130 140 LEU CG C 27.0 0.2 1
1397 130 140 LEU CD1 C 23.2 0.2 2
1398 130 140 LEU CD2 C 25.2 0.2 2
1399 130 140 LEU N N 120.2 0.2 1
1400 131 141 GLU H H 8.16 0.02 1
1401 131 141 GLU HA H 4.07 0.02 1
1402 131 141 GLU HB2 H 2.03 0.02 1
1403 131 141 GLU HB3 H 2.03 0.02 1
1404 131 141 GLU HG2 H 2.27 0.02 2
1405 131 141 GLU HG3 H 2.33 0.02 2
1406 131 141 GLU C C 178.0 0.2 1
1407 131 141 GLU CA C 58.5 0.2 1
1408 131 141 GLU CB C 29.6 0.2 1
1409 131 141 GLU CG C 36.2 0.2 1
1410 131 141 GLU N N 119.8 0.2 1
1411 132 142 ALA H H 7.84 0.02 1
1412 132 142 ALA HA H 4.15 0.02 1
1413 132 142 ALA HB H 1.46 0.02 1
1414 132 142 ALA C C 178.9 0.2 1
1415 132 142 ALA CA C 54.0 0.2 1
1416 132 142 ALA CB C 18.6 0.2 1
1417 132 142 ALA N N 122.1 0.2 1
1418 133 143 LEU H H 7.76 0.02 1
1419 133 143 LEU HA H 4.20 0.02 1
1420 133 143 LEU HB2 H 1.58 0.02 2
1421 133 143 LEU HB3 H 1.75 0.02 2
1422 133 143 LEU HG H 1.74 0.02 1
1423 133 143 LEU HD1 H 0.86 0.02 2
1424 133 143 LEU HD2 H 0.89 0.02 2
1425 133 143 LEU C C 178.3 0.2 1
1426 133 143 LEU CA C 56.3 0.2 1
1427 133 143 LEU CB C 42.4 0.2 1
1428 133 143 LEU CG C 27.0 0.2 1
1429 133 143 LEU CD1 C 23.5 0.2 2
1430 133 143 LEU CD2 C 25.3 0.2 2
1431 133 143 LEU N N 118.8 0.2 1
1432 134 144 LYS H H 7.82 0.02 1
1433 134 144 LYS HA H 4.21 0.02 1
1434 134 144 LYS HB2 H 1.83 0.02 2
1435 134 144 LYS HB3 H 1.87 0.02 2
1436 134 144 LYS HG2 H 1.67 0.02 1
1437 134 144 LYS HG3 H 1.67 0.02 1
1438 134 144 LYS HD2 H 1.40 0.02 2
1439 134 144 LYS HD3 H 1.52 0.02 2
1440 134 144 LYS HE2 H 2.95 0.02 1
1441 134 144 LYS HE3 H 2.95 0.02 1
1442 134 144 LYS C C 177.3 0.2 1
1443 134 144 LYS CA C 57.3 0.2 1
1444 134 144 LYS CB C 32.8 0.2 1
1445 134 144 LYS CG C 29.3 0.2 1
1446 134 144 LYS CD C 25.1 0.2 1
1447 134 144 LYS CE C 42.0 0.2 1
1448 134 144 LYS N N 120.1 0.2 1
1449 135 145 ARG H H 8.07 0.02 1
1450 135 145 ARG HA H 4.28 0.02 1
1451 135 145 ARG HB2 H 1.80 0.02 2
1452 135 145 ARG HB3 H 1.88 0.02 2
1453 135 145 ARG HG2 H 1.57 0.02 2
1454 135 145 ARG HG3 H 1.68 0.02 2
1455 135 145 ARG HD2 H 3.10 0.02 2
1456 135 145 ARG HD3 H 3.18 0.02 2
1457 135 145 ARG C C 176.6 0.2 1
1458 135 145 ARG CA C 56.8 0.2 1
1459 135 145 ARG CB C 30.8 0.2 1
1460 135 145 ARG CG C 27.2 0.2 1
1461 135 145 ARG CD C 43.5 0.2 1
1462 135 145 ARG N N 121.0 0.2 1
1463 136 146 ASP H H 8.26 0.02 1
1464 136 146 ASP HA H 4.62 0.02 1
1465 136 146 ASP HB2 H 2.69 0.02 1
1466 136 146 ASP HB3 H 2.69 0.02 1
1467 136 146 ASP C C 176.9 0.2 1
1468 136 146 ASP CA C 55.0 0.2 1
1469 136 146 ASP CB C 41.3 0.2 1
1470 136 146 ASP N N 120.4 0.2 1
1471 137 147 GLY H H 8.28 0.02 1
1472 137 147 GLY HA2 H 3.98 0.02 1
1473 137 147 GLY HA3 H 3.98 0.02 1
1474 137 147 GLY C C 174.2 0.2 1
1475 137 147 GLY CA C 45.8 0.2 1
1476 137 147 GLY N N 109.0 0.2 1
1477 138 148 GLN H H 8.14 0.02 1
1478 138 148 GLN HA H 4.43 0.02 1
1479 138 148 GLN HB2 H 2.00 0.02 2
1480 138 148 GLN HB3 H 2.43 0.02 2
1481 138 148 GLN HG2 H 2.34 0.02 1
1482 138 148 GLN HG3 H 2.34 0.02 1
1483 138 148 GLN C C 175.2 0.2 1
1484 138 148 GLN CA C 55.8 0.2 1
1485 138 148 GLN CB C 29.9 0.2 1
1486 138 148 GLN CG C 34.0 0.2 1
1487 138 148 GLN N N 119.7 0.2 1
1488 139 149 SER H H 8.03 0.02 1
1489 139 149 SER HA H 4.25 0.02 1
1490 139 149 SER HB2 H 3.83 0.02 1
1491 139 149 SER HB3 H 3.83 0.02 1
1492 139 149 SER CA C 60.1 0.2 1
1493 139 149 SER CB C 64.9 0.2 1
1494 139 149 SER N N 122.7 0.2 1
stop_
save_