data_5482
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Assignment of 1H, 13C and 15N resonances of the N-terminal microtubule-binding
domain of human doublecortin
;
_BMRB_accession_number 5482
_BMRB_flat_file_name bmr5482.str
_Entry_type original
_Submission_date 2002-07-29
_Accession_date 2002-07-29
_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 Cierpicki Tomasz . .
2 Kim 'Myung Hee' . .
3 Otlewski Jacek . .
4 Derewenda Zygmunt S. .
5 Bushweller John H. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
coupling_constants 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 689
"13C chemical shifts" 353
"15N chemical shifts" 122
"coupling constants" 94
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2003-01-14 original author .
stop_
_Original_release_date 2003-01-14
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Letter to the Editor: Assignment of 1H, 13C and 15N resonances of the N-terminal
microtubule-binding domain of human doublecortin
;
_Citation_status published
_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 Cierpicki Tomasz . .
2 Kim 'Myung Hee' . .
3 Otlewski Jacek . .
4 Derewenda Zygmunt S. .
5 Bushweller John H. .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_volume 25
_Journal_issue 1
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 81
_Page_last 82
_Year 2003
_Details .
loop_
_Keyword
doublecortin
tubulin
stop_
save_
#######################################
# Cited references within the entry #
#######################################
save_ref_1
_Saveframe_category citation
_Citation_full
;
Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A.
NMRPipe: a multidimensional spectral processing system based on UNIX pipes.
J Biomol NMR. 1995 Nov;6(3):277-93.
;
_Citation_title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 8520220
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Delaglio F. . .
2 Grzesiek S. . .
3 Vuister G.W. W. .
4 Zhu G. . .
5 Pfeifer J. . .
6 Bax A. . .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_name_full 'Journal of biomolecular NMR'
_Journal_volume 6
_Journal_issue 3
_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 277
_Page_last 293
_Year 1995
_Details
;
The NMRPipe system is a UNIX software environment of processing, graphics, and
analysis tools designed to meet current routine and research-oriented
multidimensional processing requirements, and to anticipate and accommodate
future demands and developments. The system is based on UNIX pipes, which allow
programs running simultaneously to exchange streams of data under user control.
In an NMRPipe processing scheme, a stream of spectral data flows through a
pipeline of processing programs, each of which performs one component of the
overall scheme, such as Fourier transformation or linear prediction. Complete
multidimensional processing schemes are constructed as simple UNIX shell
scripts. The processing modules themselves maintain and exploit accurate
records of data sizes, detection modes, and calibration information in all
dimensions, so that schemes can be constructed without the need to explicitly
define or anticipate data sizes or storage details of real and imaginary
channels during processing. The asynchronous pipeline scheme provides other
substantial advantages, including high flexibility, favorable processing
speeds, choice of both all-in-memory and disk-bound processing, easy adaptation
to different data formats, simpler software development and maintenance, and
the ability to distribute processing tasks on multi-CPU computers and computer
networks.
;
save_
save_ref_2
_Saveframe_category citation
_Citation_full
;
Goddard, TD., Kneller DG.
Sparky3, University of california, San Francisco.
;
_Citation_title .
_Citation_status .
_Citation_type .
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
_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_DC
_Saveframe_category molecular_system
_Mol_system_name 'DC 45-150'
_Abbreviation_common DC
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'DC 45-150' $DC_45-150
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'all free'
loop_
_Biological_function
'microtubule binding domain'
stop_
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_DC_45-150
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common doublecortin
_Abbreviation_common DC
_Molecular_mass 12000
_Mol_thiol_state 'all free'
_Details 'artificial seven residues at N-terminus.'
##############################
# Polymer residue sequence #
##############################
_Residue_count 113
_Mol_residue_sequence
;
GAMDPEFALSNEKKAKKVRF
YRNGDRYFKGIVYAVSSDRF
RSFDALLADLTRSLSDNINL
PQGVRYIYTIDGSRKIGSMD
ELEEGESYVCSSDNFFKKVE
YTKNVNPNWSVNV
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 38 GLY 2 39 ALA 3 40 MET 4 41 ASP 5 42 PRO
6 43 GLU 7 44 PHE 8 45 ALA 9 46 LEU 10 47 SER
11 48 ASN 12 49 GLU 13 50 LYS 14 51 LYS 15 52 ALA
16 53 LYS 17 54 LYS 18 55 VAL 19 56 ARG 20 57 PHE
21 58 TYR 22 59 ARG 23 60 ASN 24 61 GLY 25 62 ASP
26 63 ARG 27 64 TYR 28 65 PHE 29 66 LYS 30 67 GLY
31 68 ILE 32 69 VAL 33 70 TYR 34 71 ALA 35 72 VAL
36 73 SER 37 74 SER 38 75 ASP 39 76 ARG 40 77 PHE
41 78 ARG 42 79 SER 43 80 PHE 44 81 ASP 45 82 ALA
46 83 LEU 47 84 LEU 48 85 ALA 49 86 ASP 50 87 LEU
51 88 THR 52 89 ARG 53 90 SER 54 91 LEU 55 92 SER
56 93 ASP 57 94 ASN 58 95 ILE 59 96 ASN 60 97 LEU
61 98 PRO 62 99 GLN 63 100 GLY 64 101 VAL 65 102 ARG
66 103 TYR 67 104 ILE 68 105 TYR 69 106 THR 70 107 ILE
71 108 ASP 72 109 GLY 73 110 SER 74 111 ARG 75 112 LYS
76 113 ILE 77 114 GLY 78 115 SER 79 116 MET 80 117 ASP
81 118 GLU 82 119 LEU 83 120 GLU 84 121 GLU 85 122 GLY
86 123 GLU 87 124 SER 88 125 TYR 89 126 VAL 90 127 CYS
91 128 SER 92 129 SER 93 130 ASP 94 131 ASN 95 132 PHE
96 133 PHE 97 134 LYS 98 135 LYS 99 136 VAL 100 137 GLU
101 138 TYR 102 139 THR 103 140 LYS 104 141 ASN 105 142 VAL
106 143 ASN 107 144 PRO 108 145 ASN 109 146 TRP 110 147 SER
111 148 VAL 112 149 ASN 113 150 VAL
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-28
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 1MJD "Structure Of N-Terminal Domain Of Human Doublecortin" 100.00 113 100.00 100.00 1.09e-75
PDB 2BQQ "X-ray Structure Of The N-terminal Domain Of Human Doublecortin" 100.00 113 98.23 98.23 7.28e-74
PDB 2XRP "Human Doublecortin N-Dc Repeat (1mjd) And Mammalian Tubulin (1jff And 3hke) Docked Into The 8-Angstrom Cryo-Em Map Of Doublecor" 83.19 95 100.00 100.00 1.31e-59
PDB 4ATU "Human Doublecortin N-Dc Repeat Plus Linker, And Tubulin (2xrp) Docked Into An 8a Cryo-Em Map Of Doublecortin-Stabilised Microtu" 93.81 373 100.00 100.00 6.24e-68
DBJ BAA33387 "doublecortin [Mus musculus]" 93.81 366 100.00 100.00 3.76e-68
DBJ BAB29230 "unnamed protein product [Mus musculus]" 93.81 360 100.00 100.00 2.81e-68
DBJ BAC33328 "unnamed protein product [Mus musculus]" 93.81 379 100.00 100.00 6.70e-68
DBJ BAE37637 "unnamed protein product [Mus musculus]" 93.81 365 100.00 100.00 3.18e-68
DBJ BAE43338 "unnamed protein product [Mus musculus]" 93.81 331 100.00 100.00 5.35e-68
EMBL CAA05867 "doublecortin [Homo sapiens]" 93.81 360 100.00 100.00 2.69e-68
EMBL CAA06617 "doublecortin [Homo sapiens]" 93.81 360 100.00 100.00 2.69e-68
EMBL CAC38099 "double-cortin [Spalax judaei]" 93.81 365 100.00 100.00 3.46e-68
GB AAC31696 "doublecortin [Homo sapiens]" 93.81 360 100.00 100.00 2.69e-68
GB AAC31797 "doublecortin isoform [Homo sapiens]" 93.81 365 100.00 100.00 3.25e-68
GB AAC31799 "doublecortin [Mus musculus]" 93.81 365 100.00 100.00 3.66e-68
GB AAC52037 "doublecortin [Homo sapiens]" 93.81 360 100.00 100.00 2.69e-68
GB AAG18479 "neuronal migration protein doublecortin [Rattus norvegicus]" 93.81 365 99.06 99.06 2.05e-66
REF NP_000546 "neuronal migration protein doublecortin isoform a [Homo sapiens]" 93.81 441 100.00 100.00 9.61e-68
REF NP_001103692 "neuronal migration protein doublecortin isoform a [Mus musculus]" 93.81 366 100.00 100.00 3.76e-68
REF NP_001103693 "neuronal migration protein doublecortin isoform a [Mus musculus]" 93.81 366 100.00 100.00 3.76e-68
REF NP_001103694 "neuronal migration protein doublecortin isoform b [Mus musculus]" 93.81 365 100.00 100.00 3.18e-68
REF NP_001182482 "neuronal migration protein doublecortin isoform d [Homo sapiens]" 93.81 366 100.00 100.00 3.45e-68
SP O43602 "RecName: Full=Neuronal migration protein doublecortin; AltName: Full=Doublin; AltName: Full=Lissencephalin-X; Short=Lis-X [Homo" 93.81 441 100.00 100.00 9.61e-68
SP O88809 "RecName: Full=Neuronal migration protein doublecortin; AltName: Full=Doublin; AltName: Full=Lissencephalin-X; Short=Lis-X [Mus " 93.81 366 100.00 100.00 3.76e-68
SP Q9ESI7 "RecName: Full=Neuronal migration protein doublecortin [Rattus norvegicus]" 93.81 365 99.06 99.06 2.05e-66
TPG DAA13014 "TPA: doublecortin-like [Bos taurus]" 93.81 434 100.00 100.00 9.85e-68
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Organ
_Tissue
_Gene_mnemonic
$DC_45-150 Human 9606 Eukaryota Metazoa Homo sapiens brain 'nervous cells' doublecortin
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
$DC_45-150 '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
$DC_45-150 1.0 mM '[U-13C; U-15N]'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$DC_45-150 1.0 mM [U-15N]
stop_
save_
############################
# Computer software used #
############################
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 2.1
loop_
_Task
'spectral processing'
stop_
_Details .
_Citation_label $ref_1
save_
save_Sparky
_Saveframe_category software
_Name Sparky
_Version 3.100
loop_
_Task
'assignment and analysis'
stop_
_Details .
_Citation_label $ref_2
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 500
_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-15N_TOCSY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N TOCSY'
_Sample_label .
save_
save_HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_Sample_label .
save_
save_HNCACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_Sample_label .
save_
save_CBCA(CO)NH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCA(CO)NH
_Sample_label .
save_
save_CC(CO)NH-TOCSY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name CC(CO)NH-TOCSY
_Sample_label .
save_
save_HC(CO)NH-TOCSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HC(CO)NH-TOCSY
_Sample_label .
save_
save_HNHA_8
_Saveframe_category NMR_applied_experiment
_Experiment_name HNHA
_Sample_label .
save_
save_HCCH-TOCSY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_Sample_label .
save_
save_HACAHB_10
_Saveframe_category NMR_applied_experiment
_Experiment_name HACAHB
_Sample_label .
save_
save_15N_NOESY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N NOESY'
_Sample_label .
save_
save_13C_NOESY_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '13C NOESY'
_Sample_label .
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_5
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCA(CO)NH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_6
_Saveframe_category NMR_applied_experiment
_Experiment_name CC(CO)NH-TOCSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HC(CO)NH-TOCSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_8
_Saveframe_category NMR_applied_experiment
_Experiment_name HNHA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_9
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_10
_Saveframe_category NMR_applied_experiment
_Experiment_name HACAHB
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '15N NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '13C NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_DC_cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.0 0.2 n/a
temperature 298 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_shift_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $DC_cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'DC 45-150'
_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 38 1 GLY CA C 43.7 0.05 1
2 38 1 GLY HA2 H 3.84 0.01 1
3 38 1 GLY HA3 H 3.84 0.01 1
4 39 2 ALA N N 123.4 0.05 1
5 39 2 ALA H H 8.62 0.01 1
6 39 2 ALA CA C 53.4 0.05 1
7 39 2 ALA HA H 4.22 0.01 1
8 39 2 ALA HB H 1.36 0.01 1
9 39 2 ALA CB C 19.6 0.05 1
10 40 3 MET N N 118.2 0.05 1
11 40 3 MET H H 8.46 0.01 1
12 40 3 MET CA C 55.4 0.05 1
13 40 3 MET HA H 4.48 0.01 1
14 40 3 MET CB C 33.0 0.05 1
15 40 3 MET HB2 H 2.08 0.01 2
16 40 3 MET HB3 H 1.97 0.01 2
17 40 3 MET CG C 32.4 0.05 1
18 40 3 MET HG2 H 2.57 0.01 2
19 40 3 MET HG3 H 2.50 0.01 2
20 41 4 ASP N N 123.2 0.05 1
21 41 4 ASP H H 8.15 0.01 1
22 41 4 ASP CA C 53.1 0.05 1
23 41 4 ASP HA H 4.84 0.01 1
24 41 4 ASP CB C 41.2 0.05 1
25 41 4 ASP HB2 H 2.74 0.01 2
26 41 4 ASP HB3 H 2.57 0.01 2
27 42 5 PRO CD C 51.2 0.05 1
28 42 5 PRO CA C 64.2 0.05 1
29 42 5 PRO HA H 4.35 0.01 1
30 42 5 PRO CB C 32.5 0.05 1
31 42 5 PRO HB2 H 2.26 0.01 2
32 42 5 PRO HB3 H 1.86 0.01 2
33 42 5 PRO CG C 27.7 0.05 1
34 42 5 PRO HG2 H 2.01 0.01 1
35 42 5 PRO HG3 H 2.01 0.01 1
36 42 5 PRO HD2 H 3.85 0.01 2
37 42 5 PRO HD3 H 3.76 0.01 2
38 43 6 GLU N N 119.6 0.05 1
39 43 6 GLU H H 8.53 0.01 1
40 43 6 GLU CA C 57.6 0.05 1
41 43 6 GLU HA H 4.11 0.01 1
42 43 6 GLU CB C 30.1 0.05 1
43 43 6 GLU HB2 H 1.87 0.01 1
44 43 6 GLU HB3 H 1.87 0.01 1
45 43 6 GLU CG C 36.6 0.05 1
46 43 6 GLU HG2 H 2.15 0.01 2
47 43 6 GLU HG3 H 2.05 0.01 2
48 44 7 PHE N N 120.1 0.05 1
49 44 7 PHE H H 7.98 0.01 1
50 44 7 PHE CA C 58.4 0.05 1
51 44 7 PHE HA H 4.54 0.01 1
52 44 7 PHE CB C 39.8 0.05 1
53 44 7 PHE HB2 H 3.17 0.01 2
54 44 7 PHE HB3 H 3.03 0.01 2
55 44 7 PHE HD1 H 7.24 0.01 1
56 44 7 PHE HD2 H 7.24 0.01 1
57 44 7 PHE HE1 H 7.33 0.01 1
58 44 7 PHE HE2 H 7.33 0.01 1
59 44 7 PHE CD1 C 132.0 0.05 1
60 44 7 PHE CE1 C 131.8 0.05 1
61 45 8 ALA N N 124.6 0.05 1
62 45 8 ALA H H 8.04 0.01 1
63 45 8 ALA CA C 53.1 0.05 1
64 45 8 ALA HA H 4.24 0.01 1
65 45 8 ALA HB H 1.34 0.01 1
66 45 8 ALA CB C 19.6 0.05 1
67 46 9 LEU N N 120.7 0.05 1
68 46 9 LEU H H 8.05 0.01 1
69 46 9 LEU CA C 55.7 0.05 1
70 46 9 LEU HA H 4.30 0.01 1
71 46 9 LEU CB C 42.6 0.05 1
72 46 9 LEU HB2 H 1.63 0.01 1
73 46 9 LEU HB3 H 1.63 0.01 1
74 46 9 LEU CG C 27.3 0.05 1
75 46 9 LEU HG H 1.64 0.01 1
76 46 9 LEU HD1 H 0.93 0.01 1
77 46 9 LEU HD2 H 0.88 0.01 1
78 46 9 LEU CD1 C 25.4 0.05 1
79 46 9 LEU CD2 C 23.9 0.05 1
80 47 10 SER N N 115.7 0.05 1
81 47 10 SER H H 8.14 0.01 1
82 47 10 SER CA C 58.9 0.05 1
83 47 10 SER HA H 4.38 0.01 1
84 47 10 SER CB C 64.1 0.05 1
85 47 10 SER HB2 H 3.90 0.01 2
86 47 10 SER HB3 H 3.83 0.01 2
87 48 11 ASN N N 120.8 0.05 1
88 48 11 ASN H H 8.42 0.01 1
89 48 11 ASN CA C 54.0 0.05 1
90 48 11 ASN HA H 4.67 0.01 1
91 48 11 ASN CB C 39.2 0.05 1
92 48 11 ASN HB2 H 2.80 0.01 2
93 48 11 ASN HB3 H 2.73 0.01 2
94 48 11 ASN HD21 H 7.58 0.01 2
95 49 12 GLU N N 120.9 0.05 1
96 49 12 GLU H H 8.30 0.01 1
97 49 12 GLU CA C 57.5 0.05 1
98 49 12 GLU HA H 4.22 0.01 1
99 49 12 GLU CB C 30.5 0.05 1
100 49 12 GLU HB2 H 2.03 0.01 2
101 49 12 GLU HB3 H 1.95 0.01 2
102 49 12 GLU CG C 36.6 0.05 1
103 49 12 GLU HG2 H 2.25 0.01 2
104 49 12 GLU HG3 H 2.22 0.01 2
105 50 13 LYS N N 121.6 0.05 1
106 50 13 LYS H H 8.26 0.01 1
107 50 13 LYS CA C 56.4 0.05 1
108 50 13 LYS HA H 4.31 0.01 1
109 50 13 LYS CB C 33.0 0.05 1
110 50 13 LYS HB2 H 1.86 0.01 2
111 50 13 LYS HB3 H 1.75 0.01 2
112 50 13 LYS CG C 25.3 0.05 1
113 50 13 LYS HG2 H 1.43 0.01 1
114 50 13 LYS HG3 H 1.43 0.01 1
115 50 13 LYS CD C 29.4 0.05 1
116 50 13 LYS HD2 H 1.67 0.01 1
117 50 13 LYS HD3 H 1.67 0.01 1
118 50 13 LYS CE C 42.5 0.05 1
119 50 13 LYS HE2 H 2.98 0.01 1
120 50 13 LYS HE3 H 2.98 0.01 1
121 51 14 LYS N N 122.0 0.05 1
122 51 14 LYS H H 8.13 0.01 1
123 51 14 LYS CA C 56.7 0.05 1
124 51 14 LYS HA H 4.27 0.01 1
125 51 14 LYS CB C 33.4 0.05 1
126 51 14 LYS HB2 H 1.85 0.01 2
127 51 14 LYS HB3 H 1.77 0.01 2
128 51 14 LYS CG C 25.1 0.05 1
129 51 14 LYS HG2 H 1.44 0.01 1
130 51 14 LYS HG3 H 1.44 0.01 1
131 51 14 LYS CD C 29.4 0.05 1
132 51 14 LYS HD2 H 1.68 0.01 1
133 51 14 LYS HD3 H 1.68 0.01 1
134 51 14 LYS CE C 42.5 0.05 1
135 51 14 LYS HE2 H 2.99 0.01 1
136 51 14 LYS HE3 H 2.99 0.01 1
137 52 15 ALA N N 125.2 0.05 1
138 52 15 ALA H H 8.33 0.01 1
139 52 15 ALA CA C 52.0 0.05 1
140 52 15 ALA HA H 4.52 0.01 1
141 52 15 ALA HB H 1.25 0.01 1
142 52 15 ALA CB C 20.5 0.05 1
143 53 16 LYS N N 121.4 0.05 1
144 53 16 LYS H H 8.35 0.01 1
145 53 16 LYS HA H 4.73 0.01 1
146 53 16 LYS CB C 35.4 0.05 1
147 53 16 LYS HB2 H 1.69 0.01 2
148 53 16 LYS HB3 H 1.54 0.01 2
149 53 16 LYS CG C 25.3 0.05 1
150 53 16 LYS HG2 H 1.53 0.01 2
151 53 16 LYS HG3 H 1.50 0.01 2
152 53 16 LYS CD C 30.4 0.05 1
153 53 16 LYS HD2 H 1.56 0.01 2
154 53 16 LYS HD3 H 1.53 0.01 2
155 53 16 LYS CE C 42.5 0.05 1
156 53 16 LYS HE2 H 3.07 0.01 2
157 53 16 LYS HE3 H 2.93 0.01 2
158 54 17 LYS N N 125.8 0.05 1
159 54 17 LYS H H 9.19 0.01 1
160 54 17 LYS CA C 56.3 0.05 1
161 54 17 LYS HA H 5.41 0.01 1
162 54 17 LYS CB C 33.5 0.05 1
163 54 17 LYS HB2 H 1.97 0.01 2
164 54 17 LYS HB3 H 1.68 0.01 2
165 54 17 LYS CG C 25.6 0.05 1
166 54 17 LYS HG2 H 1.60 0.01 2
167 54 17 LYS HG3 H 1.34 0.01 2
168 54 17 LYS CD C 29.7 0.05 1
169 54 17 LYS HD2 H 1.75 0.01 2
170 54 17 LYS HD3 H 1.68 0.01 2
171 54 17 LYS CE C 42.2 0.05 1
172 54 17 LYS HE2 H 2.99 0.01 1
173 54 17 LYS HE3 H 2.99 0.01 1
174 55 18 VAL N N 118.6 0.05 1
175 55 18 VAL H H 8.76 0.01 1
176 55 18 VAL CA C 59.6 0.05 1
177 55 18 VAL HA H 5.05 0.01 1
178 55 18 VAL CB C 36.1 0.05 1
179 55 18 VAL HB H 1.99 0.01 1
180 55 18 VAL HG1 H 0.83 0.01 1
181 55 18 VAL HG2 H 0.46 0.01 1
182 55 18 VAL CG1 C 23.7 0.05 1
183 55 18 VAL CG2 C 21.0 0.05 1
184 56 19 ARG N N 123.2 0.05 1
185 56 19 ARG H H 8.05 0.01 1
186 56 19 ARG CA C 54.8 0.05 1
187 56 19 ARG HA H 4.90 0.01 1
188 56 19 ARG CB C 33.4 0.05 1
189 56 19 ARG HB2 H 1.61 0.01 2
190 56 19 ARG HB3 H 0.41 0.01 2
191 56 19 ARG CG C 28.8 0.05 1
192 56 19 ARG HG2 H 0.63 0.01 2
193 56 19 ARG HG3 H 0.53 0.01 2
194 56 19 ARG CD C 43.3 0.05 1
195 56 19 ARG HD2 H 2.80 0.01 1
196 56 19 ARG HD3 H 2.80 0.01 1
197 56 19 ARG NE N 83.1 0.05 1
198 56 19 ARG HE H 6.41 0.01 1
199 57 20 PHE N N 122.8 0.05 1
200 57 20 PHE H H 8.84 0.01 1
201 57 20 PHE CA C 58.0 0.05 1
202 57 20 PHE HA H 5.43 0.01 1
203 57 20 PHE CB C 42.7 0.05 1
204 57 20 PHE HB2 H 2.61 0.01 1
205 57 20 PHE HB3 H 3.01 0.01 1
206 57 20 PHE HD1 H 6.88 0.01 1
207 57 20 PHE HD2 H 6.88 0.01 1
208 57 20 PHE HE1 H 6.62 0.01 1
209 57 20 PHE HE2 H 6.62 0.01 1
210 57 20 PHE CD1 C 132.6 0.05 1
211 57 20 PHE CE1 C 130.4 0.05 1
212 57 20 PHE CZ C 128.6 0.05 1
213 57 20 PHE HZ H 6.60 0.01 1
214 58 21 TYR N N 119.9 0.05 1
215 58 21 TYR H H 9.48 0.01 1
216 58 21 TYR CA C 58.5 0.05 1
217 58 21 TYR HA H 4.61 0.01 1
218 58 21 TYR CB C 41.0 0.05 1
219 58 21 TYR HB2 H 2.43 0.01 1
220 58 21 TYR HB3 H 3.53 0.01 1
221 58 21 TYR HD1 H 7.19 0.01 1
222 58 21 TYR HD2 H 7.19 0.01 1
223 58 21 TYR HE1 H 6.51 0.01 1
224 58 21 TYR HE2 H 6.51 0.01 1
225 58 21 TYR CD1 C 132.7 0.05 1
226 58 21 TYR CE1 C 118.5 0.05 1
227 59 22 ARG N N 121.1 0.05 1
228 59 22 ARG H H 9.34 0.01 1
229 59 22 ARG HA H 4.78 0.01 1
230 59 22 ARG CB C 34.9 0.05 1
231 59 22 ARG HB2 H 2.03 0.01 2
232 59 22 ARG HB3 H 1.66 0.01 2
233 59 22 ARG HG2 H 1.50 0.01 1
234 59 22 ARG HG3 H 1.50 0.01 1
235 59 22 ARG CD C 44.9 0.05 1
236 59 22 ARG HD2 H 3.19 0.01 2
237 59 22 ARG HD3 H 3.11 0.01 2
238 59 22 ARG NE N 82.5 0.05 1
239 59 22 ARG HE H 7.72 0.01 1
240 59 22 ARG NH1 N 72.1 0.05 1
241 59 22 ARG HH11 H 6.50 0.01 1
242 59 22 ARG HH12 H 6.50 0.01 1
243 59 22 ARG NH2 N 72.1 0.05 1
244 59 22 ARG HH21 H 6.50 0.01 1
245 59 22 ARG HH22 H 6.50 0.01 1
246 60 23 ASN N N 123.8 0.05 1
247 60 23 ASN H H 8.50 0.01 1
248 60 23 ASN HA H 4.73 0.01 1
249 60 23 ASN CB C 39.3 0.05 1
250 60 23 ASN HB2 H 2.94 0.01 1
251 60 23 ASN HB3 H 3.10 0.01 1
252 60 23 ASN ND2 N 110.2 0.05 1
253 60 23 ASN HD21 H 7.33 0.01 1
254 60 23 ASN HD22 H 7.09 0.01 1
255 61 24 GLY N N 111.8 0.05 1
256 61 24 GLY H H 9.10 0.01 1
257 61 24 GLY CA C 46.3 0.05 1
258 61 24 GLY HA2 H 3.14 0.01 2
259 61 24 GLY HA3 H 4.19 0.01 2
260 62 25 ASP N N 121.2 0.05 1
261 62 25 ASP H H 8.21 0.01 1
262 62 25 ASP HA H 4.80 0.01 1
263 62 25 ASP CB C 42.8 0.05 1
264 62 25 ASP HB2 H 3.65 0.01 2
265 62 25 ASP HB3 H 2.24 0.01 2
266 63 26 ARG N N 122.8 0.05 1
267 63 26 ARG H H 8.46 0.01 1
268 63 26 ARG CA C 57.2 0.05 1
269 63 26 ARG HA H 3.91 0.01 1
270 63 26 ARG CB C 30.5 0.05 1
271 63 26 ARG HB2 H 1.41 0.01 2
272 63 26 ARG HB3 H 1.23 0.01 2
273 63 26 ARG CG C 26.6 0.05 1
274 63 26 ARG HG2 H 1.18 0.01 2
275 63 26 ARG HG3 H 0.82 0.01 2
276 63 26 ARG CD C 43.7 0.05 1
277 63 26 ARG HD2 H 2.92 0.01 1
278 63 26 ARG HD3 H 2.92 0.01 1
279 63 26 ARG NE N 84.5 0.05 1
280 63 26 ARG HE H 7.01 0.01 1
281 64 27 TYR N N 118.1 0.05 1
282 64 27 TYR H H 8.39 0.01 1
283 64 27 TYR CA C 58.7 0.05 1
284 64 27 TYR HA H 4.63 0.01 1
285 64 27 TYR CB C 39.5 0.05 1
286 64 27 TYR HB2 H 2.98 0.01 1
287 64 27 TYR HB3 H 3.31 0.01 1
288 64 27 TYR HD1 H 7.23 0.01 1
289 64 27 TYR HD2 H 7.23 0.01 1
290 64 27 TYR HE1 H 6.86 0.01 1
291 64 27 TYR HE2 H 6.86 0.01 1
292 64 27 TYR CD1 C 133.5 0.05 1
293 64 27 TYR CE1 C 118.5 0.05 1
294 65 28 PHE N N 121.7 0.05 1
295 65 28 PHE H H 7.63 0.01 1
296 65 28 PHE HA H 4.79 0.01 1
297 65 28 PHE CB C 39.9 0.05 1
298 65 28 PHE HB2 H 3.33 0.01 2
299 65 28 PHE HB3 H 3.29 0.01 2
300 65 28 PHE HD1 H 7.55 0.01 1
301 65 28 PHE HD2 H 7.55 0.01 1
302 65 28 PHE HE1 H 7.46 0.01 1
303 65 28 PHE HE2 H 7.46 0.01 1
304 65 28 PHE CD1 C 131.8 0.05 1
305 65 28 PHE CE1 C 131.8 0.05 1
306 65 28 PHE CZ C 130.7 0.05 1
307 65 28 PHE HZ H 7.12 0.01 1
308 66 29 LYS N N 128.4 0.05 1
309 66 29 LYS H H 8.69 0.01 1
310 66 29 LYS CA C 56.1 0.05 1
311 66 29 LYS HA H 4.41 0.01 1
312 66 29 LYS CB C 31.1 0.05 1
313 66 29 LYS HB2 H 2.04 0.01 2
314 66 29 LYS HB3 H 1.65 0.01 2
315 66 29 LYS CG C 24.3 0.05 1
316 66 29 LYS HG2 H 1.59 0.01 2
317 66 29 LYS HG3 H 1.45 0.01 2
318 66 29 LYS CD C 28.7 0.05 1
319 66 29 LYS HD2 H 1.65 0.01 1
320 66 29 LYS HD3 H 1.65 0.01 1
321 66 29 LYS CE C 42.9 0.05 1
322 66 29 LYS HE2 H 3.04 0.01 2
323 66 29 LYS HE3 H 2.96 0.01 2
324 67 30 GLY CA C 44.3 0.05 1
325 67 30 GLY HA2 H 3.45 0.01 2
326 67 30 GLY HA3 H 2.85 0.01 2
327 68 31 ILE N N 117.7 0.05 1
328 68 31 ILE H H 8.40 0.01 1
329 68 31 ILE CA C 59.3 0.05 1
330 68 31 ILE HA H 4.58 0.01 1
331 68 31 ILE CB C 42.9 0.05 1
332 68 31 ILE HB H 1.89 0.01 1
333 68 31 ILE HG2 H 1.24 0.01 1
334 68 31 ILE CG2 C 17.4 0.05 1
335 68 31 ILE CG1 C 28.7 0.05 1
336 68 31 ILE HG12 H 1.76 0.01 2
337 68 31 ILE HG13 H 1.26 0.01 2
338 68 31 ILE HD1 H 1.10 0.01 1
339 68 31 ILE CD1 C 14.8 0.05 1
340 69 32 VAL N N 128.0 0.05 1
341 69 32 VAL H H 8.65 0.01 1
342 69 32 VAL CA C 62.8 0.05 1
343 69 32 VAL HA H 4.55 0.01 1
344 69 32 VAL CB C 32.3 0.05 1
345 69 32 VAL HB H 1.96 0.01 1
346 69 32 VAL HG1 H 0.94 0.01 1
347 69 32 VAL HG2 H 0.66 0.01 1
348 69 32 VAL CG1 C 21.7 0.05 1
349 69 32 VAL CG2 C 22.7 0.05 1
350 70 33 TYR N N 132.0 0.05 1
351 70 33 TYR H H 9.59 0.01 1
352 70 33 TYR HA H 4.82 0.01 1
353 70 33 TYR CB C 44.8 0.05 1
354 70 33 TYR HB2 H 3.13 0.01 1
355 70 33 TYR HB3 H 2.76 0.01 1
356 70 33 TYR HD1 H 6.96 0.01 1
357 70 33 TYR HD2 H 6.96 0.01 1
358 70 33 TYR HE1 H 6.69 0.01 1
359 70 33 TYR HE2 H 6.69 0.01 1
360 70 33 TYR CD1 C 131.6 0.05 1
361 70 33 TYR CE1 C 119.2 0.05 1
362 71 34 ALA N N 123.6 0.05 1
363 71 34 ALA H H 8.25 0.01 1
364 71 34 ALA CA C 50.9 0.05 1
365 71 34 ALA HA H 5.06 0.01 1
366 71 34 ALA HB H 1.24 0.01 1
367 71 34 ALA CB C 18.9 0.05 1
368 72 35 VAL N N 122.8 0.05 1
369 72 35 VAL H H 9.55 0.01 1
370 72 35 VAL CA C 63.4 0.05 1
371 72 35 VAL HA H 4.41 0.01 1
372 72 35 VAL CB C 33.7 0.05 1
373 72 35 VAL HB H 2.24 0.01 1
374 72 35 VAL HG1 H 1.06 0.01 1
375 72 35 VAL HG2 H 1.08 0.01 1
376 72 35 VAL CG1 C 22.8 0.05 1
377 72 35 VAL CG2 C 22.0 0.05 1
378 73 36 SER N N 118.5 0.05 1
379 73 36 SER H H 7.35 0.01 1
380 73 36 SER CA C 57.1 0.05 1
381 73 36 SER HA H 4.95 0.01 1
382 73 36 SER CB C 66.2 0.05 1
383 73 36 SER HB2 H 4.19 0.01 2
384 73 36 SER HB3 H 3.90 0.01 2
385 74 37 SER CA C 60.7 0.05 1
386 74 37 SER HA H 4.62 0.01 1
387 74 37 SER CB C 63.3 0.05 1
388 74 37 SER HB2 H 4.04 0.01 2
389 74 37 SER HB3 H 3.94 0.01 2
390 75 38 ASP N N 118.3 0.05 1
391 75 38 ASP H H 8.04 0.01 1
392 75 38 ASP CA C 55.9 0.05 1
393 75 38 ASP HA H 4.43 0.01 1
394 75 38 ASP CB C 41.2 0.05 1
395 75 38 ASP HB2 H 2.49 0.01 1
396 75 38 ASP HB3 H 2.56 0.01 1
397 76 39 ARG N N 118.1 0.05 1
398 76 39 ARG H H 7.13 0.01 1
399 76 39 ARG CA C 57.6 0.05 1
400 76 39 ARG HA H 3.96 0.01 1
401 76 39 ARG CB C 32.2 0.05 1
402 76 39 ARG HB2 H 1.43 0.01 2
403 76 39 ARG HB3 H 1.16 0.01 2
404 76 39 ARG CG C 27.5 0.05 1
405 76 39 ARG HG2 H 1.12 0.01 2
406 76 39 ARG HG3 H 0.88 0.01 2
407 76 39 ARG CD C 43.4 0.05 1
408 76 39 ARG HD2 H 2.99 0.01 2
409 76 39 ARG HD3 H 2.94 0.01 2
410 77 40 PHE N N 116.2 0.05 1
411 77 40 PHE H H 7.73 0.01 1
412 77 40 PHE CA C 56.3 0.05 1
413 77 40 PHE HA H 4.87 0.01 1
414 77 40 PHE CB C 41.1 0.05 1
415 77 40 PHE HB2 H 3.02 0.01 2
416 77 40 PHE HB3 H 2.96 0.01 2
417 77 40 PHE HD1 H 7.22 0.01 1
418 77 40 PHE HD2 H 7.22 0.01 1
419 77 40 PHE HE1 H 7.53 0.01 1
420 77 40 PHE HE2 H 7.53 0.01 1
421 77 40 PHE CD1 C 132.2 0.05 1
422 77 40 PHE CE1 C 131.9 0.05 1
423 78 41 ARG N N 121.0 0.05 1
424 78 41 ARG H H 8.94 0.01 1
425 78 41 ARG CA C 57.7 0.05 1
426 78 41 ARG HA H 4.30 0.01 1
427 78 41 ARG CB C 30.3 0.05 1
428 78 41 ARG HB2 H 1.86 0.01 1
429 78 41 ARG HB3 H 1.96 0.01 1
430 78 41 ARG CG C 27.5 0.05 1
431 78 41 ARG HG2 H 1.72 0.01 1
432 78 41 ARG HG3 H 1.72 0.01 1
433 78 41 ARG CD C 43.4 0.05 1
434 78 41 ARG HD2 H 3.24 0.01 1
435 78 41 ARG HD3 H 3.24 0.01 1
436 79 42 SER N N 109.5 0.05 1
437 79 42 SER H H 7.60 0.01 1
438 79 42 SER HA H 4.76 0.01 1
439 79 42 SER CB C 66.6 0.05 1
440 79 42 SER HB2 H 4.29 0.01 2
441 79 42 SER HB3 H 4.01 0.01 2
442 80 43 PHE N N 123.9 0.05 1
443 80 43 PHE H H 9.28 0.01 1
444 80 43 PHE CA C 61.6 0.05 1
445 80 43 PHE HA H 4.25 0.01 1
446 80 43 PHE CB C 39.6 0.05 1
447 80 43 PHE HB2 H 3.30 0.01 1
448 80 43 PHE HB3 H 3.05 0.01 1
449 80 43 PHE HD1 H 7.00 0.01 1
450 80 43 PHE HD2 H 7.00 0.01 1
451 80 43 PHE HE1 H 6.89 0.01 1
452 80 43 PHE HE2 H 6.89 0.01 1
453 80 43 PHE CD1 C 131.2 0.05 1
454 80 43 PHE CE1 C 130.9 0.05 1
455 80 43 PHE CZ C 130.1 0.05 1
456 80 43 PHE HZ H 6.84 0.01 1
457 81 44 ASP N N 116.3 0.05 1
458 81 44 ASP H H 8.41 0.01 1
459 81 44 ASP CA C 57.7 0.05 1
460 81 44 ASP HA H 4.16 0.01 1
461 81 44 ASP CB C 40.6 0.05 1
462 81 44 ASP HB2 H 2.57 0.01 1
463 81 44 ASP HB3 H 2.57 0.01 1
464 82 45 ALA N N 123.2 0.05 1
465 82 45 ALA H H 7.95 0.01 1
466 82 45 ALA CA C 55.2 0.05 1
467 82 45 ALA HA H 4.25 0.01 1
468 82 45 ALA HB H 1.77 0.01 1
469 82 45 ALA CB C 18.9 0.05 1
470 83 46 LEU N N 121.7 0.05 1
471 83 46 LEU H H 7.24 0.01 1
472 83 46 LEU CA C 58.3 0.05 1
473 83 46 LEU HA H 3.51 0.01 1
474 83 46 LEU CB C 40.4 0.05 1
475 83 46 LEU HB2 H 0.78 0.01 1
476 83 46 LEU HB3 H 1.77 0.01 1
477 83 46 LEU CG C 26.8 0.05 1
478 83 46 LEU HG H 0.69 0.01 1
479 83 46 LEU HD1 H -0.11 0.01 1
480 83 46 LEU HD2 H 0.39 0.01 1
481 83 46 LEU CD1 C 22.5 0.05 1
482 83 46 LEU CD2 C 26.6 0.05 1
483 84 47 LEU N N 117.9 0.05 1
484 84 47 LEU H H 7.81 0.01 1
485 84 47 LEU CA C 58.9 0.05 1
486 84 47 LEU HA H 3.38 0.01 1
487 84 47 LEU CB C 40.2 0.05 1
488 84 47 LEU HB2 H 1.61 0.01 1
489 84 47 LEU HB3 H 1.34 0.01 1
490 84 47 LEU CG C 26.3 0.05 1
491 84 47 LEU HG H 1.00 0.01 1
492 84 47 LEU HD1 H 0.46 0.01 1
493 84 47 LEU HD2 H 0.04 0.01 1
494 84 47 LEU CD1 C 25.5 0.05 1
495 84 47 LEU CD2 C 22.3 0.05 1
496 85 48 ALA N N 121.4 0.05 1
497 85 48 ALA H H 8.06 0.01 1
498 85 48 ALA CA C 55.4 0.05 1
499 85 48 ALA HA H 4.08 0.01 1
500 85 48 ALA HB H 1.48 0.01 1
501 85 48 ALA CB C 18.3 0.05 1
502 86 49 ASP N N 121.8 0.05 1
503 86 49 ASP H H 7.69 0.01 1
504 86 49 ASP CA C 58.5 0.05 1
505 86 49 ASP HA H 4.40 0.01 1
506 86 49 ASP CB C 44.3 0.05 1
507 86 49 ASP HB2 H 2.89 0.01 1
508 86 49 ASP HB3 H 2.89 0.01 1
509 87 50 LEU N N 120.2 0.05 1
510 87 50 LEU H H 8.43 0.01 1
511 87 50 LEU CA C 57.7 0.05 1
512 87 50 LEU HA H 3.94 0.01 1
513 87 50 LEU CB C 42.3 0.05 1
514 87 50 LEU HB2 H 1.47 0.01 2
515 87 50 LEU HB3 H 0.90 0.01 2
516 87 50 LEU CG C 26.6 0.05 1
517 87 50 LEU HG H 0.83 0.01 1
518 87 50 LEU HD1 H -0.47 0.01 1
519 87 50 LEU HD2 H -0.44 0.01 1
520 87 50 LEU CD1 C 25.2 0.05 1
521 87 50 LEU CD2 C 22.2 0.05 1
522 88 51 THR N N 117.0 0.05 1
523 88 51 THR H H 8.24 0.01 1
524 88 51 THR CA C 67.9 0.05 1
525 88 51 THR HA H 3.66 0.01 1
526 88 51 THR CB C 69.2 0.05 1
527 88 51 THR HB H 4.45 0.01 1
528 88 51 THR HG2 H 1.23 0.01 1
529 88 51 THR HG1 H 5.19 0.01 1
530 88 51 THR CG2 C 22.1 0.05 1
531 89 52 ARG N N 120.3 0.05 1
532 89 52 ARG H H 7.29 0.01 1
533 89 52 ARG CA C 59.7 0.05 1
534 89 52 ARG HA H 4.10 0.01 1
535 89 52 ARG HB2 H 2.03 0.01 1
536 89 52 ARG HB3 H 2.03 0.01 1
537 89 52 ARG CG C 27.8 0.05 1
538 89 52 ARG HG2 H 1.77 0.01 2
539 89 52 ARG HG3 H 1.56 0.01 2
540 89 52 ARG CD C 43.7 0.05 1
541 89 52 ARG HD2 H 3.26 0.01 1
542 89 52 ARG HD3 H 3.26 0.01 1
543 89 52 ARG NE N 83.7 0.05 1
544 89 52 ARG HE H 7.33 0.01 1
545 90 53 SER N N 115.1 0.05 1
546 90 53 SER H H 8.49 0.01 1
547 90 53 SER CA C 61.8 0.05 1
548 90 53 SER HA H 4.25 0.01 1
549 90 53 SER CB C 63.9 0.05 1
550 90 53 SER HB2 H 3.99 0.01 2
551 90 53 SER HB3 H 3.93 0.01 2
552 91 54 LEU N N 118.0 0.05 1
553 91 54 LEU H H 8.47 0.01 1
554 91 54 LEU CA C 55.0 0.05 1
555 91 54 LEU HA H 4.27 0.01 1
556 91 54 LEU CB C 43.3 0.05 1
557 91 54 LEU HB2 H 1.55 0.01 1
558 91 54 LEU HB3 H 1.22 0.01 1
559 91 54 LEU HD1 H 0.65 0.01 1
560 91 54 LEU HD2 H 0.68 0.01 1
561 91 54 LEU CD1 C 27.6 0.05 1
562 91 54 LEU CD2 C 25.5 0.05 1
563 92 55 SER N N 112.4 0.05 1
564 92 55 SER H H 6.88 0.01 1
565 92 55 SER CA C 60.6 0.05 1
566 92 55 SER HA H 4.08 0.01 1
567 92 55 SER CB C 64.2 0.05 1
568 92 55 SER HB2 H 3.96 0.01 2
569 92 55 SER HB3 H 3.83 0.01 2
570 93 56 ASP N N 125.6 0.05 1
571 93 56 ASP H H 8.54 0.01 1
572 93 56 ASP CA C 54.5 0.05 1
573 93 56 ASP HA H 4.52 0.01 1
574 93 56 ASP CB C 42.1 0.05 1
575 93 56 ASP HB2 H 2.47 0.01 1
576 93 56 ASP HB3 H 2.90 0.01 1
577 94 57 ASN N N 120.2 0.05 1
578 94 57 ASN H H 8.68 0.01 1
579 94 57 ASN CA C 55.7 0.05 1
580 94 57 ASN HA H 4.35 0.01 1
581 94 57 ASN CB C 38.6 0.05 1
582 94 57 ASN HB2 H 2.80 0.01 1
583 94 57 ASN HB3 H 2.80 0.01 1
584 94 57 ASN HD21 H 7.57 0.01 2
585 94 57 ASN HD22 H 6.91 0.01 2
586 95 58 ILE N N 117.8 0.05 1
587 95 58 ILE H H 8.05 0.01 1
588 95 58 ILE CA C 62.8 0.05 1
589 95 58 ILE HA H 4.01 0.01 1
590 95 58 ILE CB C 38.7 0.05 1
591 95 58 ILE HB H 1.91 0.01 1
592 95 58 ILE HG2 H 0.81 0.01 1
593 95 58 ILE CG2 C 17.3 0.05 1
594 95 58 ILE CG1 C 27.9 0.05 1
595 95 58 ILE HG12 H 1.49 0.01 2
596 95 58 ILE HG13 H 1.18 0.01 2
597 95 58 ILE HD1 H 0.81 0.01 1
598 95 58 ILE CD1 C 12.1 0.05 1
599 96 59 ASN N N 117.2 0.05 1
600 96 59 ASN H H 8.62 0.01 1
601 96 59 ASN HA H 4.79 0.01 1
602 96 59 ASN CB C 40.2 0.05 1
603 96 59 ASN HB2 H 2.53 0.01 1
604 96 59 ASN HB3 H 3.03 0.01 1
605 96 59 ASN ND2 N 117.6 0.05 1
606 96 59 ASN HD21 H 8.59 0.01 1
607 96 59 ASN HD22 H 7.03 0.01 1
608 97 60 LEU N N 118.2 0.05 1
609 97 60 LEU H H 8.24 0.01 1
610 97 60 LEU CA C 53.2 0.05 1
611 97 60 LEU HA H 4.99 0.01 1
612 97 60 LEU CB C 42.8 0.05 1
613 97 60 LEU HB2 H 1.74 0.01 2
614 97 60 LEU HB3 H 1.29 0.01 2
615 97 60 LEU CG C 27.0 0.05 1
616 97 60 LEU HG H 1.32 0.01 1
617 97 60 LEU HD1 H 0.74 0.01 1
618 97 60 LEU HD2 H 0.94 0.01 1
619 97 60 LEU CD1 C 28.0 0.05 1
620 97 60 LEU CD2 C 24.5 0.05 1
621 98 61 PRO CD C 50.9 0.05 1
622 98 61 PRO CA C 65.8 0.05 1
623 98 61 PRO HA H 4.41 0.01 1
624 98 61 PRO CB C 32.1 0.05 1
625 98 61 PRO HB2 H 2.34 0.01 1
626 98 61 PRO HB3 H 2.03 0.01 1
627 98 61 PRO CG C 28.0 0.05 1
628 98 61 PRO HG2 H 2.05 0.01 2
629 98 61 PRO HG3 H 1.96 0.01 2
630 98 61 PRO HD2 H 3.58 0.01 2
631 98 61 PRO HD3 H 3.32 0.01 2
632 99 62 GLN N N 115.3 0.05 1
633 99 62 GLN H H 7.87 0.01 1
634 99 62 GLN HA H 4.72 0.01 1
635 99 62 GLN CB C 29.1 0.05 1
636 99 62 GLN HB2 H 2.45 0.01 2
637 99 62 GLN HB3 H 1.73 0.01 2
638 99 62 GLN CG C 34.6 0.05 1
639 99 62 GLN HG2 H 2.35 0.01 2
640 99 62 GLN HG3 H 2.31 0.01 2
641 99 62 GLN NE2 N 111.7 0.05 1
642 99 62 GLN HE21 H 7.55 0.01 1
643 99 62 GLN HE22 H 6.81 0.01 1
644 100 63 GLY N N 105.7 0.05 1
645 100 63 GLY H H 7.67 0.01 1
646 100 63 GLY CA C 45.3 0.05 1
647 100 63 GLY HA2 H 3.89 0.01 2
648 100 63 GLY HA3 H 4.02 0.01 2
649 101 64 VAL N N 120.4 0.05 1
650 101 64 VAL H H 8.44 0.01 1
651 101 64 VAL CA C 64.2 0.05 1
652 101 64 VAL HA H 3.59 0.01 1
653 101 64 VAL CB C 30.5 0.05 1
654 101 64 VAL HB H 2.03 0.01 1
655 101 64 VAL HG1 H 0.67 0.01 1
656 101 64 VAL HG2 H 0.66 0.01 1
657 101 64 VAL CG1 C 21.8 0.05 1
658 101 64 VAL CG2 C 22.7 0.05 1
659 102 65 ARG N N 125.4 0.05 1
660 102 65 ARG H H 8.24 0.01 1
661 102 65 ARG CA C 56.2 0.05 1
662 102 65 ARG HA H 4.19 0.01 1
663 102 65 ARG CB C 33.7 0.05 1
664 102 65 ARG HB2 H 1.37 0.01 1
665 102 65 ARG HB3 H 1.18 0.01 1
666 102 65 ARG CG C 27.8 0.05 1
667 102 65 ARG HG2 H 1.48 0.01 2
668 102 65 ARG HG3 H 1.30 0.01 2
669 102 65 ARG CD C 43.6 0.05 1
670 102 65 ARG HD2 H 3.19 0.01 1
671 102 65 ARG HD3 H 3.19 0.01 1
672 102 65 ARG NE N 84.5 0.05 1
673 102 65 ARG HE H 7.10 0.01 1
674 103 66 TYR N N 115.6 0.05 1
675 103 66 TYR H H 8.25 0.01 1
676 103 66 TYR HA H 4.72 0.01 1
677 103 66 TYR CB C 43.9 0.05 1
678 103 66 TYR HB2 H 2.49 0.01 1
679 103 66 TYR HB3 H 2.71 0.01 1
680 103 66 TYR HD1 H 6.78 0.01 1
681 103 66 TYR HD2 H 6.78 0.01 1
682 103 66 TYR HE1 H 6.69 0.01 1
683 103 66 TYR HE2 H 6.69 0.01 1
684 103 66 TYR CD1 C 133.9 0.05 1
685 103 66 TYR CE1 C 117.9 0.05 1
686 104 67 ILE N N 121.7 0.05 1
687 104 67 ILE H H 9.32 0.01 1
688 104 67 ILE HA H 4.85 0.01 1
689 104 67 ILE CB C 40.7 0.05 1
690 104 67 ILE HB H 1.75 0.01 1
691 104 67 ILE HG2 H 0.91 0.01 1
692 104 67 ILE CG2 C 19.6 0.05 1
693 104 67 ILE CG1 C 27.5 0.05 1
694 104 67 ILE HG12 H 1.26 0.01 2
695 104 67 ILE HG13 H 0.87 0.01 2
696 104 67 ILE HD1 H 0.39 0.01 1
697 104 67 ILE CD1 C 13.7 0.05 1
698 105 68 TYR N N 125.5 0.05 1
699 105 68 TYR H H 9.66 0.01 1
700 105 68 TYR CA C 57.7 0.05 1
701 105 68 TYR HA H 5.52 0.01 1
702 105 68 TYR CB C 44.6 0.05 1
703 105 68 TYR HB2 H 2.95 0.01 1
704 105 68 TYR HB3 H 3.37 0.01 1
705 105 68 TYR HD1 H 6.82 0.01 1
706 105 68 TYR HD2 H 6.82 0.01 1
707 105 68 TYR HE1 H 6.67 0.01 1
708 105 68 TYR HE2 H 6.67 0.01 1
709 105 68 TYR CD1 C 132.8 0.05 1
710 105 68 TYR CE1 C 118.0 0.05 1
711 106 69 THR N N 109.3 0.05 1
712 106 69 THR H H 8.60 0.01 1
713 106 69 THR CA C 63.3 0.05 1
714 106 69 THR HA H 4.61 0.01 1
715 106 69 THR HB H 4.79 0.01 1
716 106 69 THR HG2 H 1.45 0.01 1
717 106 69 THR HG1 H 4.50 0.01 1
718 106 69 THR CG2 C 24.7 0.05 1
719 107 70 ILE N N 119.1 0.05 1
720 107 70 ILE H H 8.22 0.01 1
721 107 70 ILE CA C 61.1 0.05 1
722 107 70 ILE HA H 4.01 0.01 1
723 107 70 ILE CB C 39.2 0.05 1
724 107 70 ILE HB H 1.68 0.01 1
725 107 70 ILE HG2 H 0.90 0.01 1
726 107 70 ILE CG2 C 18.7 0.05 1
727 107 70 ILE CG1 C 28.8 0.05 1
728 107 70 ILE HG12 H 1.35 0.01 2
729 107 70 ILE HG13 H 1.26 0.01 2
730 107 70 ILE HD1 H 0.43 0.01 1
731 107 70 ILE CD1 C 15.0 0.05 1
732 108 71 ASP N N 115.5 0.05 1
733 108 71 ASP H H 7.56 0.01 1
734 108 71 ASP CA C 52.2 0.05 1
735 108 71 ASP HA H 4.62 0.01 1
736 108 71 ASP CB C 41.3 0.05 1
737 108 71 ASP HB2 H 3.05 0.01 2
738 108 71 ASP HB3 H 2.57 0.01 2
739 109 72 GLY N N 112.4 0.05 1
740 109 72 GLY H H 7.95 0.01 1
741 109 72 GLY CA C 44.5 0.05 1
742 109 72 GLY HA2 H 2.22 0.01 2
743 109 72 GLY HA3 H 2.35 0.01 2
744 110 73 SER N N 114.7 0.05 1
745 110 73 SER H H 7.75 0.01 1
746 110 73 SER CA C 61.1 0.05 1
747 110 73 SER HA H 3.93 0.01 1
748 110 73 SER CB C 63.9 0.05 1
749 110 73 SER HB2 H 3.83 0.01 2
750 110 73 SER HB3 H 3.71 0.01 2
751 111 74 ARG N N 119.4 0.05 1
752 111 74 ARG H H 7.62 0.01 1
753 111 74 ARG CA C 55.7 0.05 1
754 111 74 ARG HA H 4.67 0.01 1
755 111 74 ARG CB C 34.1 0.05 1
756 111 74 ARG HB2 H 1.85 0.01 2
757 111 74 ARG HB3 H 1.75 0.01 2
758 111 74 ARG CG C 27.5 0.05 1
759 111 74 ARG HG2 H 1.54 0.01 2
760 111 74 ARG HG3 H 1.48 0.01 2
761 111 74 ARG CD C 44.0 0.05 1
762 111 74 ARG HD2 H 3.21 0.01 2
763 111 74 ARG HD3 H 3.16 0.01 2
764 111 74 ARG NE N 84.6 0.05 1
765 111 74 ARG HE H 7.26 0.01 1
766 112 75 LYS N N 121.1 0.05 1
767 112 75 LYS H H 8.29 0.01 1
768 112 75 LYS HA H 4.73 0.01 1
769 112 75 LYS CB C 34.1 0.05 1
770 112 75 LYS HB2 H 1.54 0.01 2
771 112 75 LYS HB3 H 1.42 0.01 2
772 112 75 LYS CG C 25.0 0.05 1
773 112 75 LYS HG2 H 0.99 0.01 2
774 112 75 LYS HG3 H 0.65 0.01 2
775 112 75 LYS CD C 29.9 0.05 1
776 112 75 LYS HD2 H 1.44 0.01 1
777 112 75 LYS HD3 H 1.44 0.01 1
778 112 75 LYS CE C 42.0 0.05 1
779 112 75 LYS HE2 H 2.75 0.01 2
780 112 75 LYS HE3 H 2.69 0.01 2
781 113 76 ILE N N 125.8 0.05 1
782 113 76 ILE H H 8.89 0.01 1
783 113 76 ILE CA C 58.7 0.05 1
784 113 76 ILE HA H 4.10 0.01 1
785 113 76 ILE CB C 37.3 0.05 1
786 113 76 ILE HB H 1.81 0.01 1
787 113 76 ILE HG2 H 0.73 0.01 1
788 113 76 ILE CG2 C 18.5 0.05 1
789 113 76 ILE CG1 C 27.1 0.05 1
790 113 76 ILE HG12 H 1.43 0.01 2
791 113 76 ILE HG13 H 1.13 0.01 2
792 113 76 ILE HD1 H 0.69 0.01 1
793 113 76 ILE CD1 C 10.5 0.05 1
794 114 77 GLY N N 112.4 0.05 1
795 114 77 GLY H H 8.83 0.01 1
796 114 77 GLY CA C 44.7 0.05 1
797 114 77 GLY HA2 H 3.40 0.01 2
798 114 77 GLY HA3 H 4.13 0.01 2
799 115 78 SER N N 112.0 0.05 1
800 115 78 SER H H 6.87 0.01 1
801 115 78 SER CA C 56.9 0.05 1
802 115 78 SER HA H 3.86 0.01 1
803 115 78 SER CB C 65.5 0.05 1
804 115 78 SER HB2 H 3.89 0.01 2
805 115 78 SER HB3 H 3.56 0.01 2
806 116 79 MET N N 121.0 0.05 1
807 116 79 MET H H 9.18 0.01 1
808 116 79 MET CA C 58.9 0.05 1
809 116 79 MET HA H 3.95 0.01 1
810 116 79 MET CB C 33.2 0.05 1
811 116 79 MET HB2 H 2.06 0.01 1
812 116 79 MET HB3 H 2.13 0.01 1
813 116 79 MET CG C 33.5 0.05 1
814 116 79 MET HG2 H 2.64 0.01 2
815 116 79 MET HG3 H 2.45 0.01 2
816 116 79 MET HE H 2.06 0.01 1
817 116 79 MET CE C 17.3 0.05 1
818 117 80 ASP N N 117.1 0.05 1
819 117 80 ASP H H 8.14 0.01 1
820 117 80 ASP CA C 56.6 0.05 1
821 117 80 ASP HA H 4.31 0.01 1
822 117 80 ASP CB C 40.8 0.05 1
823 117 80 ASP HB2 H 2.50 0.01 1
824 117 80 ASP HB3 H 2.67 0.01 1
825 118 81 GLU N N 115.3 0.05 1
826 118 81 GLU H H 7.00 0.01 1
827 118 81 GLU CA C 56.8 0.05 1
828 118 81 GLU HA H 4.08 0.01 1
829 118 81 GLU CB C 32.1 0.05 1
830 118 81 GLU HB2 H 2.21 0.01 2
831 118 81 GLU HB3 H 2.06 0.01 2
832 118 81 GLU CG C 37.6 0.05 1
833 118 81 GLU HG2 H 2.21 0.01 2
834 118 81 GLU HG3 H 2.12 0.01 2
835 119 82 LEU N N 118.0 0.05 1
836 119 82 LEU H H 6.92 0.01 1
837 119 82 LEU CA C 54.8 0.05 1
838 119 82 LEU HA H 4.15 0.01 1
839 119 82 LEU CB C 42.3 0.05 1
840 119 82 LEU HB2 H 1.86 0.01 1
841 119 82 LEU HB3 H 0.99 0.01 1
842 119 82 LEU CG C 26.3 0.05 1
843 119 82 LEU HG H 1.59 0.01 1
844 119 82 LEU HD1 H 0.86 0.01 2
845 119 82 LEU HD2 H 0.05 0.01 2
846 119 82 LEU CD1 C 27.8 0.05 1
847 119 82 LEU CD2 C 23.0 0.05 1
848 120 83 GLU N N 123.0 0.05 1
849 120 83 GLU H H 8.59 0.01 1
850 120 83 GLU CA C 55.3 0.05 1
851 120 83 GLU HA H 4.56 0.01 1
852 120 83 GLU CB C 33.2 0.05 1
853 120 83 GLU HB2 H 1.82 0.01 1
854 120 83 GLU HB3 H 2.02 0.01 1
855 120 83 GLU CG C 36.8 0.05 1
856 120 83 GLU HG2 H 2.31 0.01 2
857 120 83 GLU HG3 H 2.16 0.01 2
858 121 84 GLU N N 121.5 0.05 1
859 121 84 GLU H H 8.57 0.01 1
860 121 84 GLU CA C 57.6 0.05 1
861 121 84 GLU HA H 4.06 0.01 1
862 121 84 GLU CB C 30.4 0.05 1
863 121 84 GLU HB2 H 2.16 0.01 2
864 121 84 GLU HB3 H 1.91 0.01 2
865 121 84 GLU CG C 35.6 0.05 1
866 121 84 GLU HG2 H 2.39 0.01 2
867 121 84 GLU HG3 H 2.18 0.01 2
868 122 85 GLY N N 114.7 0.05 1
869 122 85 GLY H H 9.43 0.01 1
870 122 85 GLY CA C 45.9 0.05 1
871 122 85 GLY HA2 H 3.44 0.01 2
872 122 85 GLY HA3 H 4.14 0.01 2
873 123 86 GLU N N 120.9 0.05 1
874 123 86 GLU H H 7.98 0.01 1
875 123 86 GLU CA C 55.7 0.05 1
876 123 86 GLU HA H 4.62 0.01 1
877 123 86 GLU CB C 31.6 0.05 1
878 123 86 GLU HB2 H 2.46 0.01 1
879 123 86 GLU HB3 H 1.85 0.01 1
880 123 86 GLU CG C 37.4 0.05 1
881 123 86 GLU HG2 H 2.32 0.01 2
882 123 86 GLU HG3 H 2.06 0.01 2
883 124 87 SER N N 113.6 0.05 1
884 124 87 SER H H 8.07 0.01 1
885 124 87 SER CA C 57.7 0.05 1
886 124 87 SER HA H 5.61 0.01 1
887 124 87 SER CB C 66.5 0.05 1
888 124 87 SER HB2 H 3.54 0.01 1
889 124 87 SER HB3 H 3.74 0.01 1
890 125 88 TYR N N 118.8 0.05 1
891 125 88 TYR H H 8.92 0.01 1
892 125 88 TYR CA C 57.6 0.05 1
893 125 88 TYR HA H 4.99 0.01 1
894 125 88 TYR CB C 43.9 0.05 1
895 125 88 TYR HB2 H 2.47 0.01 1
896 125 88 TYR HB3 H 3.32 0.01 1
897 125 88 TYR HD1 H 6.75 0.01 1
898 125 88 TYR HD2 H 6.75 0.01 1
899 125 88 TYR HE1 H 6.69 0.01 1
900 125 88 TYR HE2 H 6.69 0.01 1
901 125 88 TYR CE1 C 118.4 0.05 1
902 126 89 VAL N N 121.4 0.05 1
903 126 89 VAL H H 9.76 0.01 1
904 126 89 VAL CA C 62.5 0.05 1
905 126 89 VAL HA H 4.20 0.01 1
906 126 89 VAL CB C 35.3 0.05 1
907 126 89 VAL HB H 2.00 0.01 1
908 126 89 VAL HG1 H 0.81 0.01 1
909 126 89 VAL HG2 H 0.45 0.01 1
910 126 89 VAL CG1 C 21.1 0.05 1
911 126 89 VAL CG2 C 22.0 0.05 1
912 127 90 CYS N N 125.9 0.05 1
913 127 90 CYS H H 8.80 0.01 1
914 127 90 CYS CA C 59.5 0.05 1
915 127 90 CYS HA H 5.01 0.01 1
916 127 90 CYS CB C 30.4 0.05 1
917 127 90 CYS HB2 H 2.93 0.01 2
918 127 90 CYS HB3 H 2.84 0.01 2
919 127 90 CYS HG H 1.55 0.01 1
920 128 91 SER N N 116.0 0.05 1
921 128 91 SER H H 9.46 0.01 1
922 128 91 SER CA C 56.8 0.05 1
923 128 91 SER HA H 5.28 0.01 1
924 128 91 SER CB C 67.1 0.05 1
925 128 91 SER HB2 H 4.12 0.01 1
926 128 91 SER HB3 H 3.81 0.01 1
927 129 92 SER N N 125.6 0.05 1
928 129 92 SER H H 10.26 0.01 1
929 129 92 SER CB C 65.8 0.05 1
930 129 92 SER HB2 H 4.13 0.01 2
931 129 92 SER HB3 H 4.00 0.01 2
932 130 93 ASP N N 118.9 0.05 1
933 130 93 ASP H H 8.26 0.01 1
934 130 93 ASP CA C 53.7 0.05 1
935 130 93 ASP HA H 4.93 0.01 1
936 130 93 ASP CB C 43.8 0.05 1
937 130 93 ASP HB2 H 2.85 0.01 2
938 130 93 ASP HB3 H 2.65 0.01 2
939 131 94 ASN CB C 37.8 0.05 1
940 131 94 ASN HB2 H 2.50 0.01 2
941 131 94 ASN HB3 H 2.26 0.01 2
942 131 94 ASN ND2 N 110.0 0.05 1
943 131 94 ASN HD21 H 7.13 0.01 1
944 131 94 ASN HD22 H 6.10 0.01 1
945 132 95 PHE N N 120.9 0.05 1
946 132 95 PHE H H 7.88 0.01 1
947 132 95 PHE CA C 57.0 0.05 1
948 132 95 PHE HA H 4.65 0.01 1
949 132 95 PHE CB C 38.7 0.05 1
950 132 95 PHE HB2 H 2.99 0.01 2
951 132 95 PHE HB3 H 2.91 0.01 2
952 132 95 PHE HD1 H 7.12 0.01 1
953 132 95 PHE HD2 H 7.12 0.01 1
954 132 95 PHE HE1 H 7.29 0.01 1
955 132 95 PHE HE2 H 7.29 0.01 1
956 132 95 PHE CD1 C 131.8 0.05 1
957 132 95 PHE CE1 C 131.7 0.05 1
958 133 96 PHE N N 126.7 0.05 1
959 133 96 PHE H H 8.16 0.01 1
960 133 96 PHE CA C 59.4 0.05 1
961 133 96 PHE HA H 3.75 0.01 1
962 133 96 PHE CB C 40.0 0.05 1
963 133 96 PHE HB2 H 1.78 0.01 1
964 133 96 PHE HB3 H 2.56 0.01 1
965 133 96 PHE HD1 H 6.58 0.01 1
966 133 96 PHE HD2 H 6.58 0.01 1
967 133 96 PHE HE1 H 7.10 0.01 1
968 133 96 PHE HE2 H 7.10 0.01 1
969 133 96 PHE CD1 C 131.7 0.05 1
970 133 96 PHE CE1 C 131.5 0.05 1
971 133 96 PHE CZ C 131.4 0.05 1
972 133 96 PHE HZ H 7.46 0.01 1
973 134 97 LYS N N 130.0 0.05 1
974 134 97 LYS H H 8.88 0.01 1
975 134 97 LYS CA C 55.1 0.05 1
976 134 97 LYS HA H 4.24 0.01 1
977 134 97 LYS CB C 32.7 0.05 1
978 134 97 LYS HB2 H 1.45 0.01 2
979 134 97 LYS HB3 H 1.29 0.01 2
980 134 97 LYS CG C 25.5 0.05 1
981 134 97 LYS HG2 H 1.26 0.01 1
982 134 97 LYS HG3 H 1.26 0.01 1
983 134 97 LYS CD C 29.8 0.05 1
984 134 97 LYS HD2 H 1.57 0.01 2
985 134 97 LYS HD3 H 1.37 0.01 2
986 134 97 LYS CE C 42.7 0.05 1
987 134 97 LYS HE2 H 2.90 0.01 2
988 134 97 LYS HE3 H 2.87 0.01 2
989 135 98 LYS N N 126.3 0.05 1
990 135 98 LYS H H 8.48 0.01 1
991 135 98 LYS CA C 57.6 0.05 1
992 135 98 LYS HA H 4.18 0.01 1
993 135 98 LYS CB C 31.9 0.05 1
994 135 98 LYS HB2 H 1.85 0.01 2
995 135 98 LYS HB3 H 1.74 0.01 2
996 135 98 LYS CG C 25.5 0.05 1
997 135 98 LYS HG2 H 1.58 0.01 2
998 135 98 LYS HG3 H 1.40 0.01 2
999 135 98 LYS CD C 29.9 0.05 1
1000 135 98 LYS HD2 H 1.76 0.01 1
1001 135 98 LYS HD3 H 1.76 0.01 1
1002 135 98 LYS CE C 42.5 0.05 1
1003 135 98 LYS HE2 H 3.04 0.01 1
1004 135 98 LYS HE3 H 3.04 0.01 1
1005 136 99 VAL N N 121.8 0.05 1
1006 136 99 VAL H H 6.75 0.01 1
1007 136 99 VAL CA C 59.4 0.05 1
1008 136 99 VAL HA H 4.16 0.01 1
1009 136 99 VAL CB C 34.6 0.05 1
1010 136 99 VAL HB H 1.09 0.01 1
1011 136 99 VAL HG1 H 0.41 0.01 1
1012 136 99 VAL HG2 H -0.20 0.01 1
1013 136 99 VAL CG1 C 22.0 0.05 1
1014 136 99 VAL CG2 C 18.6 0.05 1
1015 137 100 GLU N N 123.0 0.05 1
1016 137 100 GLU H H 8.40 0.01 1
1017 137 100 GLU CA C 55.5 0.05 1
1018 137 100 GLU HA H 4.35 0.01 1
1019 137 100 GLU CB C 27.5 0.05 1
1020 137 100 GLU HB2 H 1.92 0.01 2
1021 137 100 GLU HB3 H 1.79 0.01 2
1022 137 100 GLU HG2 H 2.17 0.01 2
1023 137 100 GLU HG3 H 2.10 0.01 2
1024 137 100 GLU CG C 36.6 0.05 1
1025 138 101 TYR N N 123.5 0.05 1
1026 138 101 TYR H H 7.65 0.01 1
1027 138 101 TYR CA C 61.9 0.05 1
1028 138 101 TYR HA H 3.92 0.01 1
1029 138 101 TYR CB C 39.3 0.05 1
1030 138 101 TYR HB2 H 2.11 0.01 1
1031 138 101 TYR HB3 H 1.86 0.01 1
1032 138 101 TYR HD1 H 7.18 0.01 1
1033 138 101 TYR HD2 H 7.18 0.01 1
1034 138 101 TYR HE1 H 6.96 0.01 1
1035 138 101 TYR HE2 H 6.96 0.01 1
1036 138 101 TYR CD1 C 134.3 0.05 1
1037 138 101 TYR CE1 C 118.5 0.05 1
1038 139 102 THR N N 105.5 0.05 1
1039 139 102 THR H H 7.88 0.01 1
1040 139 102 THR CA C 62.1 0.05 1
1041 139 102 THR HA H 4.22 0.01 1
1042 139 102 THR CB C 69.5 0.05 1
1043 139 102 THR HB H 4.46 0.01 1
1044 139 102 THR HG2 H 1.12 0.01 1
1045 139 102 THR CG2 C 21.8 0.05 1
1046 140 103 LYS N N 124.0 0.05 1
1047 140 103 LYS H H 7.49 0.01 1
1048 140 103 LYS CA C 57.7 0.05 1
1049 140 103 LYS HA H 4.14 0.01 1
1050 140 103 LYS CB C 33.2 0.05 1
1051 140 103 LYS HB2 H 1.73 0.01 1
1052 140 103 LYS HB3 H 1.73 0.01 1
1053 140 103 LYS CG C 24.9 0.05 1
1054 140 103 LYS HG2 H 1.36 0.01 1
1055 140 103 LYS HG3 H 1.36 0.01 1
1056 140 103 LYS CD C 29.5 0.05 1
1057 140 103 LYS HD2 H 1.63 0.01 1
1058 140 103 LYS HD3 H 1.63 0.01 1
1059 140 103 LYS CE C 42.5 0.05 1
1060 140 103 LYS HE2 H 2.97 0.01 1
1061 140 103 LYS HE3 H 2.97 0.01 1
1062 141 104 ASN N N 119.0 0.05 1
1063 141 104 ASN H H 8.78 0.01 1
1064 141 104 ASN CA C 54.6 0.05 1
1065 141 104 ASN HA H 4.54 0.01 1
1066 141 104 ASN CB C 38.5 0.05 1
1067 141 104 ASN HB2 H 2.92 0.01 1
1068 141 104 ASN HB3 H 2.92 0.01 1
1069 141 104 ASN ND2 N 113.3 0.05 1
1070 141 104 ASN HD21 H 7.60 0.01 1
1071 141 104 ASN HD22 H 6.97 0.01 1
1072 142 105 VAL N N 120.3 0.05 1
1073 142 105 VAL H H 7.86 0.01 1
1074 142 105 VAL CA C 62.6 0.05 1
1075 142 105 VAL HA H 4.08 0.01 1
1076 142 105 VAL CB C 33.3 0.05 1
1077 142 105 VAL HB H 2.04 0.01 1
1078 142 105 VAL HG1 H 0.86 0.01 1
1079 142 105 VAL HG2 H 1.00 0.01 1
1080 142 105 VAL CG1 C 20.7 0.05 1
1081 142 105 VAL CG2 C 21.5 0.05 1
1082 143 106 ASN N N 127.2 0.05 1
1083 143 106 ASN H H 8.68 0.01 1
1084 143 106 ASN CA C 51.6 0.05 1
1085 143 106 ASN HA H 4.86 0.01 1
1086 143 106 ASN CB C 39.1 0.05 1
1087 143 106 ASN HB2 H 2.85 0.01 2
1088 143 106 ASN HB3 H 2.79 0.01 2
1089 143 106 ASN ND2 N 113.0 0.05 1
1090 143 106 ASN HD21 H 7.65 0.01 1
1091 143 106 ASN HD22 H 6.99 0.01 1
1092 144 107 PRO CD C 51.3 0.05 1
1093 144 107 PRO CA C 64.2 0.05 1
1094 144 107 PRO HA H 4.46 0.01 1
1095 144 107 PRO CB C 32.3 0.05 1
1096 144 107 PRO HB2 H 2.22 0.01 1
1097 144 107 PRO HB3 H 1.86 0.01 1
1098 144 107 PRO CG C 27.4 0.05 1
1099 144 107 PRO HG2 H 1.89 0.01 2
1100 144 107 PRO HG3 H 2.01 0.01 2
1101 144 107 PRO HD2 H 3.91 0.01 2
1102 144 107 PRO HD3 H 3.80 0.01 2
1103 145 108 ASN N N 117.7 0.05 1
1104 145 108 ASN H H 8.32 0.01 1
1105 145 108 ASN CA C 53.5 0.05 1
1106 145 108 ASN HA H 4.60 0.01 1
1107 145 108 ASN CB C 38.4 0.05 1
1108 145 108 ASN HB2 H 2.80 0.01 2
1109 145 108 ASN HB3 H 2.75 0.01 2
1110 145 108 ASN ND2 N 112.2 0.05 1
1111 145 108 ASN HD21 H 7.55 0.01 1
1112 145 108 ASN HD22 H 6.89 0.01 1
1113 146 109 TRP N N 120.4 0.05 1
1114 146 109 TRP H H 7.67 0.01 1
1115 146 109 TRP CA C 58.0 0.05 1
1116 146 109 TRP HA H 4.50 0.01 1
1117 146 109 TRP CB C 29.1 0.05 1
1118 146 109 TRP HB2 H 3.35 0.01 2
1119 146 109 TRP HB3 H 3.30 0.01 2
1120 146 109 TRP CD1 C 128.3 0.05 1
1121 146 109 TRP CE3 C 121.0 0.05 1
1122 146 109 TRP NE1 N 130.4 0.05 1
1123 146 109 TRP HD1 H 7.56 0.01 1
1124 146 109 TRP HE3 H 7.36 0.01 1
1125 146 109 TRP CZ3 C 121.9 0.05 1
1126 146 109 TRP CZ2 C 115.6 0.05 1
1127 146 109 TRP HE1 H 10.19 0.01 1
1128 146 109 TRP HZ3 H 6.83 0.01 1
1129 146 109 TRP CH2 C 125.2 0.05 1
1130 146 109 TRP HZ2 H 7.33 0.01 1
1131 146 109 TRP HH2 H 7.03 0.01 1
1132 147 110 SER N N 115.7 0.05 1
1133 147 110 SER H H 7.46 0.01 1
1134 147 110 SER CA C 59.2 0.05 1
1135 147 110 SER HA H 4.05 0.01 1
1136 147 110 SER CB C 63.4 0.05 1
1137 147 110 SER HB2 H 3.53 0.01 2
1138 147 110 SER HB3 H 2.81 0.01 2
1139 148 111 VAL N N 120.3 0.05 1
1140 148 111 VAL H H 7.60 0.01 1
1141 148 111 VAL CA C 62.7 0.05 1
1142 148 111 VAL HA H 4.04 0.01 1
1143 148 111 VAL CB C 33.0 0.05 1
1144 148 111 VAL HB H 2.06 0.01 1
1145 148 111 VAL HG1 H 0.88 0.01 1
1146 148 111 VAL HG2 H 0.87 0.01 1
1147 148 111 VAL CG1 C 21.6 0.05 1
1148 148 111 VAL CG2 C 20.8 0.05 1
1149 149 112 ASN N N 122.9 0.05 1
1150 149 112 ASN H H 8.34 0.01 1
1151 149 112 ASN HA H 4.80 0.01 1
1152 149 112 ASN CB C 39.8 0.05 1
1153 149 112 ASN HB2 H 2.68 0.01 1
1154 149 112 ASN HB3 H 2.85 0.01 1
1155 150 113 VAL N N 124.2 0.05 1
1156 150 113 VAL H H 7.66 0.01 1
1157 150 113 VAL CA C 64.0 0.05 1
1158 150 113 VAL HA H 4.02 0.01 1
1159 150 113 VAL CB C 33.7 0.05 1
1160 150 113 VAL HB H 2.00 0.01 1
1161 150 113 VAL HG1 H 0.88 0.01 1
1162 150 113 VAL HG2 H 0.85 0.01 1
1163 150 113 VAL CG1 C 22.0 0.05 1
1164 150 113 VAL CG2 C 20.5 0.05 1
stop_
save_
########################
# Coupling constants #
########################
save_J_values
_Saveframe_category coupling_constants
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $DC_cond_1
_Spectrometer_frequency_1H 500
_Mol_system_component_name 'DC 45-150'
_Text_data_format .
_Text_data .
loop_
_Coupling_constant_ID
_Coupling_constant_code
_Atom_one_residue_seq_code
_Atom_one_residue_label
_Atom_one_name
_Atom_two_residue_seq_code
_Atom_two_residue_label
_Atom_two_name
_Coupling_constant_value
_Coupling_constant_min_value
_Coupling_constant_max_value
_Coupling_constant_value_error
1 3JHNHA 3 MET H 3 MET HA 8.2 . . 0.5
2 3JHNHA 4 ASP H 4 ASP HA 7.1 . . 0.5
3 3JHNHA 6 GLU H 6 GLU HA 6.7 . . 0.5
4 3JHNHA 7 PHE H 7 PHE HA 7.3 . . 0.5
5 3JHNHA 8 ALA H 8 ALA HA 6.3 . . 0.5
6 3JHNHA 9 LEU H 9 LEU HA 6.9 . . 0.5
7 3JHNHA 10 SER H 10 SER HA 6.9 . . 0.5
8 3JHNHA 11 ASN H 11 ASN HA 7.1 . . 0.5
9 3JHNHA 12 GLU H 12 GLU HA 6.6 . . 0.5
10 3JHNHA 13 LYS H 13 LYS HA 8.1 . . 0.5
11 3JHNHA 14 LYS H 14 LYS HA 7.0 . . 0.5
12 3JHNHA 15 ALA H 15 ALA HA 7.1 . . 0.5
13 3JHNHA 16 LYS H 16 LYS HA 8.8 . . 0.5
14 3JHNHA 17 LYS H 17 LYS HA 7.9 . . 0.5
15 3JHNHA 18 VAL H 18 VAL HA 10.1 . . 0.5
16 3JHNHA 19 ARG H 19 ARG HA 9.0 . . 0.5
17 3JHNHA 20 PHE H 20 PHE HA 9.7 . . 0.5
18 3JHNHA 21 TYR H 21 TYR HA 9.5 . . 0.5
19 3JHNHA 22 ARG H 22 ARG HA 9.5 . . 0.5
20 3JHNHA 25 ASP H 25 ASP HA 8.5 . . 0.5
21 3JHNHA 26 ARG H 26 ARG HA 6.3 . . 0.5
22 3JHNHA 28 PHE H 28 PHE HA 6.4 . . 0.5
23 3JHNHA 29 LYS H 29 LYS HA 6.4 . . 0.5
24 3JHNHA 31 ILE H 31 ILE HA 10.9 . . 0.5
25 3JHNHA 32 VAL H 32 VAL HA 7.7 . . 0.5
26 3JHNHA 33 TYR H 33 TYR HA 9.9 . . 0.5
27 3JHNHA 34 ALA H 34 ALA HA 9.7 . . 0.5
28 3JHNHA 35 VAL H 35 VAL HA 8.4 . . 0.5
29 3JHNHA 36 SER H 36 SER HA 7.1 . . 0.5
30 3JHNHA 38 ASP H 38 ASP HA 7.3 . . 0.5
31 3JHNHA 39 ARG H 39 ARG HA 8.5 . . 0.5
32 3JHNHA 40 PHE H 40 PHE HA 9.9 . . 0.5
33 3JHNHA 41 ARG H 41 ARG HA 5.0 . . 0.5
34 3JHNHA 42 SER H 42 SER HA 6.3 . . 0.5
35 3JHNHA 43 PHE H 43 PHE HA 4.2 . . 0.5
36 3JHNHA 44 ASP H 44 ASP HA 3.5 . . 0.5
37 3JHNHA 45 ALA H 45 ALA HA 5.3 . . 0.5
38 3JHNHA 46 LEU H 46 LEU HA 5.7 . . 0.5
39 3JHNHA 47 LEU H 47 LEU HA 3.4 . . 0.5
40 3JHNHA 48 ALA H 48 ALA HA 3.9 . . 0.5
41 3JHNHA 49 ASP H 49 ASP HA 5.4 . . 0.5
42 3JHNHA 50 LEU H 50 LEU HA 4.1 . . 0.5
43 3JHNHA 51 THR H 51 THR HA 3.7 . . 0.5
44 3JHNHA 52 ARG H 52 ARG HA 5.7 . . 0.5
45 3JHNHA 53 SER H 53 SER HA 5.7 . . 0.5
46 3JHNHA 54 LEU H 54 LEU HA 8.3 . . 0.5
47 3JHNHA 55 SER H 55 SER HA 2.9 . . 0.5
48 3JHNHA 56 ASP H 56 ASP HA 7.7 . . 0.5
49 3JHNHA 57 ASN H 57 ASN HA 5.8 . . 0.5
50 3JHNHA 58 ILE H 58 ILE HA 9.9 . . 0.5
51 3JHNHA 59 ASN H 59 ASN HA 8.5 . . 0.5
52 3JHNHA 62 GLN H 62 GLN HA 9.6 . . 0.5
53 3JHNHA 64 VAL H 64 VAL HA 5.7 . . 0.5
54 3JHNHA 65 ARG H 65 ARG HA 9.7 . . 0.5
55 3JHNHA 66 TYR H 66 TYR HA 9.2 . . 0.5
56 3JHNHA 67 ILE H 67 ILE HA 9.6 . . 0.5
57 3JHNHA 68 TYR H 68 TYR HA 9.3 . . 0.5
58 3JHNHA 69 THR H 69 THR HA 6.3 . . 0.5
59 3JHNHA 70 ILE H 70 ILE HA 2.4 . . 0.5
60 3JHNHA 71 ASP H 71 ASP HA 9.0 . . 0.5
61 3JHNHA 73 SER H 73 SER HA 4.9 . . 0.5
62 3JHNHA 74 ARG H 74 ARG HA 9.2 . . 0.5
63 3JHNHA 75 LYS H 75 LYS HA 8.5 . . 0.5
64 3JHNHA 76 ILE H 76 ILE HA 8.2 . . 0.5
65 3JHNHA 78 SER H 78 SER HA 5.6 . . 0.5
66 3JHNHA 79 MET H 79 MET HA 4.3 . . 0.5
67 3JHNHA 81 GLU H 81 GLU HA 7.9 . . 0.5
68 3JHNHA 82 LEU H 82 LEU HA 7.0 . . 0.5
69 3JHNHA 83 GLU H 83 GLU HA 9.5 . . 0.5
70 3JHNHA 84 GLU H 84 GLU HA 3.4 . . 0.5
71 3JHNHA 86 GLU H 86 GLU HA 8.5 . . 0.5
72 3JHNHA 87 SER H 87 SER HA 10.1 . . 0.5
73 3JHNHA 88 TYR H 88 TYR HA 9.9 . . 0.5
74 3JHNHA 89 VAL H 89 VAL HA 9.8 . . 0.5
75 3JHNHA 90 CYS H 90 CYS HA 7.9 . . 0.5
76 3JHNHA 91 SER H 91 SER HA 9.6 . . 0.5
77 3JHNHA 92 SER H 92 SER HA 7.9 . . 0.5
78 3JHNHA 93 ASP H 93 ASP HA 8.6 . . 0.5
79 3JHNHA 95 PHE H 95 PHE HA 7.8 . . 0.5
80 3JHNHA 96 PHE H 96 PHE HA 6.2 . . 0.5
81 3JHNHA 97 LYS H 97 LYS HA 9.4 . . 0.5
82 3JHNHA 98 LYS H 98 LYS HA 6.7 . . 0.5
83 3JHNHA 99 VAL H 99 VAL HA 10.7 . . 0.5
84 3JHNHA 100 GLU H 100 GLU HA 6.5 . . 0.5
85 3JHNHA 102 THR H 102 THR HA 7.8 . . 0.5
86 3JHNHA 103 LYS H 103 LYS HA 5.9 . . 0.5
87 3JHNHA 105 VAL H 105 VAL HA 8.3 . . 0.5
88 3JHNHA 106 ASN H 106 ASN HA 6.4 . . 0.5
89 3JHNHA 108 ASN H 108 ASN HA 7.8 . . 0.5
90 3JHNHA 109 TRP H 109 TRP HA 5.9 . . 0.5
91 3JHNHA 110 SER H 110 SER HA 7.2 . . 0.5
92 3JHNHA 111 VAL H 111 VAL HA 8.2 . . 0.5
93 3JHNHA 112 ASN H 112 ASN HA 8.5 . . 0.5
94 3JHNHA 113 VAL H 113 VAL HA 9.4 . . 0.5
stop_
save_