data_c19130_2m6e
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID c19130_2m6e
_Entry.Title
;
NMR SOLUTION STRUCTURE OF cis (MINOR) FORM OF In936 in Methanol
;
_Entry.Type .
_Entry.Version_type original
_Entry.Submission_date 2013-03-29
_Entry.Accession_date 2013-03-29
_Entry.Last_release_date 2013-10-28
_Entry.Original_release_date 2013-10-28
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype 'NMR, 10 STRUCTURES'
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Rajesh Sonti . . . c19130_2m6e
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
1 'not applicable' 'not applicable' . c19130_2m6e
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
'cis In936 from C.inscriptus' . c19130_2m6e
Methanol . c19130_2m6e
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 c19130_2m6e
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 13 c19130_2m6e
'1H chemical shifts' 50 c19130_2m6e
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2013-10-28 2013-03-29 original author . c19130_2m6e
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 19128 'cis In936 from C.inscriptus' c19130_2m6e
BMRB 19129 'trans (MAJOR) FORM OF In936' c19130_2m6e
BMRB 19131 'trans (MAJOR) FORM OF In937 in Methanol' c19130_2m6e
BMRB 19132 'cis(C2-P3) trans (D5-P6) FORM OF lO959 IN WATER' c19130_2m6e
BMRB 19133 'trans(C2-P3) trans (D5-P6) of LO959 IN METHANOL' c19130_2m6e
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID c19130_2m6e
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 24115170
_Citation.Full_citation .
_Citation.Title 'Conformational Diversity in Contryphans from Conus Venom: cis-trans Isomerisation and Aromatic/Proline Interactions in the 23-Membered Ring of a 7-Residue Peptide Disulfide Loop'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev Chemistry
_Citation.Journal_name_full .
_Citation.Journal_volume 19
_Citation.Journal_issue 45
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first 15175
_Citation.Page_last 15189
_Citation.Year 2013
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Rajesh Sonti . . . c19130_2m6e 1
2 Konkallu Gowd . H. . c19130_2m6e 1
3 'K. N.' Rao . S. . c19130_2m6e 1
4 Srinivasarao Ragothama . . . c19130_2m6e 1
5 Alex Rodriguez . . . c19130_2m6e 1
6 Juan Perez . J. . c19130_2m6e 1
7 Padmanabhan Balaram . . . c19130_2m6e 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID c19130_2m6e
_Assembly.ID 1
_Assembly.Name cIn936M
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 cIn936M 1 $cIn936M A . yes native no no . . . c19130_2m6e 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_cIn936M
_Entity.Sf_category entity
_Entity.Sf_framecode cIn936M
_Entity.Entry_ID c19130_2m6e
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name cIn936M
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code GCVLYPWC
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 8
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state .
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 940.140
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 1 GLY . c19130_2m6e 1
2 2 CYS . c19130_2m6e 1
3 3 VAL . c19130_2m6e 1
4 4 LEU . c19130_2m6e 1
5 5 TYR . c19130_2m6e 1
6 6 PRO . c19130_2m6e 1
7 7 TRP . c19130_2m6e 1
8 8 CYS . c19130_2m6e 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. GLY 1 1 c19130_2m6e 1
. CYS 2 2 c19130_2m6e 1
. VAL 3 3 c19130_2m6e 1
. LEU 4 4 c19130_2m6e 1
. TYR 5 5 c19130_2m6e 1
. PRO 6 6 c19130_2m6e 1
. TRP 7 7 c19130_2m6e 1
. CYS 8 8 c19130_2m6e 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID c19130_2m6e
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Subvariant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $cIn936M . 257329 organism . 'Conus inscriptus' Gastropods . . Eukaryota Metazoa Conus inscriptus . . . . . . . . . . . . . . . . . . . . . c19130_2m6e 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source
_Entity_experimental_src_list.Entry_ID c19130_2m6e
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $cIn936M . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . 'not aplicable' . . . . . . c19130_2m6e 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID c19130_2m6e
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system methanol
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 TSP 'natural abundance' . . . . . . ~3 . . mM . . . . c19130_2m6e 1
2 methanol 'natural abundance' . . . . . . 100 . . % . . . . c19130_2m6e 1
3 cIn936M 'natural abundance' . . 1 $cIn936M . . . . . mM . . . . c19130_2m6e 1
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID c19130_2m6e
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
temperature 273 . K c19130_2m6e 1
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID c19130_2m6e
_Software.ID 1
_Software.Name CYANA
_Software.Version 3
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, Mumenthaler and Wuthrich' . . c19130_2m6e 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' c19130_2m6e 1
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID c19130_2m6e
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID c19130_2m6e
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Bruker Avance . 500 . . . c19130_2m6e 1
stop_
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list
_Experiment_list.Entry_ID c19130_2m6e
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c19130_2m6e 1
2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c19130_2m6e 1
3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c19130_2m6e 1
4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c19130_2m6e 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID c19130_2m6e
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . c19130_2m6e 1
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_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID c19130_2m6e
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-1H TOCSY' . . . c19130_2m6e 1
2 '2D 1H-13C HSQC aliphatic' . . . c19130_2m6e 1
3 '2D 1H-13C HSQC aromatic' . . . c19130_2m6e 1
4 '2D 1H-1H NOESY' . . . c19130_2m6e 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 GLY HA3 H 1 3.633 0.005 . 1 . . . A 1 GLY HA3 . c19130_2m6e 1
2 . 1 1 1 1 GLY H H 1 8.147 0.001 . 1 . . . A 1 GLY H . c19130_2m6e 1
3 . 1 1 2 2 CYS H H 1 8.438 0.002 . 1 . . . A 2 CYS H . c19130_2m6e 1
4 . 1 1 2 2 CYS HA H 1 4.769 0.000 . 1 . . . A 2 CYS HA . c19130_2m6e 1
5 . 1 1 2 2 CYS HB2 H 1 3.283 0.000 . 2 . . . A 2 CYS HB2 . c19130_2m6e 1
6 . 1 1 2 2 CYS HB3 H 1 3.362 0.010 . 2 . . . A 2 CYS HB3 . c19130_2m6e 1
7 . 1 1 3 3 VAL H H 1 8.716 0.003 . 1 . . . A 3 VAL H . c19130_2m6e 1
8 . 1 1 3 3 VAL HA H 1 3.888 0.002 . 1 . . . A 3 VAL HA . c19130_2m6e 1
9 . 1 1 3 3 VAL HB H 1 2.025 0.005 . 1 . . . A 3 VAL HB . c19130_2m6e 1
10 . 1 1 3 3 VAL HG11 H 1 1.018 0.014 . 2 . . . A 3 VAL HG11 . c19130_2m6e 1
11 . 1 1 3 3 VAL HG12 H 1 1.018 0.014 . 2 . . . A 3 VAL HG12 . c19130_2m6e 1
12 . 1 1 3 3 VAL HG13 H 1 1.018 0.014 . 2 . . . A 3 VAL HG13 . c19130_2m6e 1
13 . 1 1 3 3 VAL HG21 H 1 1.027 0.022 . 2 . . . A 3 VAL HG21 . c19130_2m6e 1
14 . 1 1 3 3 VAL HG22 H 1 1.027 0.022 . 2 . . . A 3 VAL HG22 . c19130_2m6e 1
15 . 1 1 3 3 VAL HG23 H 1 1.027 0.022 . 2 . . . A 3 VAL HG23 . c19130_2m6e 1
16 . 1 1 4 4 LEU H H 1 8.745 0.002 . 1 . . . A 4 LEU H . c19130_2m6e 1
17 . 1 1 4 4 LEU HA H 1 4.563 0.000 . 1 . . . A 4 LEU HA . c19130_2m6e 1
18 . 1 1 4 4 LEU HB3 H 1 1.749 0.000 . 1 . . . A 4 LEU HB3 . c19130_2m6e 1
19 . 1 1 4 4 LEU HD21 H 1 0.988 0.003 . 1 . . . A 4 LEU HD21 . c19130_2m6e 1
20 . 1 1 4 4 LEU HD22 H 1 0.988 0.003 . 1 . . . A 4 LEU HD22 . c19130_2m6e 1
21 . 1 1 4 4 LEU HD23 H 1 0.988 0.003 . 1 . . . A 4 LEU HD23 . c19130_2m6e 1
22 . 1 1 4 4 LEU HG H 1 1.734 0.002 . 1 . . . A 4 LEU HG . c19130_2m6e 1
23 . 1 1 5 5 TYR H H 1 7.732 0.002 . 1 . . . A 5 TYR H . c19130_2m6e 1
24 . 1 1 5 5 TYR HA H 1 4.087 0.002 . 1 . . . A 5 TYR HA . c19130_2m6e 1
25 . 1 1 5 5 TYR HB2 H 1 2.800 0.002 . 2 . . . A 5 TYR HB2 . c19130_2m6e 1
26 . 1 1 5 5 TYR HB3 H 1 3.462 0.003 . 2 . . . A 5 TYR HB3 . c19130_2m6e 1
27 . 1 1 5 5 TYR HD1 H 1 7.026 0.002 . 3 . . . A 5 TYR HD1 . c19130_2m6e 1
28 . 1 1 5 5 TYR HD2 H 1 7.026 0.002 . 3 . . . A 5 TYR HD2 . c19130_2m6e 1
29 . 1 1 5 5 TYR HE1 H 1 6.682 0.002 . 3 . . . A 5 TYR HE1 . c19130_2m6e 1
30 . 1 1 5 5 TYR HE2 H 1 6.682 0.002 . 3 . . . A 5 TYR HE2 . c19130_2m6e 1
31 . 1 1 5 5 TYR CD1 C 13 132.874 0.000 . 3 . . . A 5 TYR CD1 . c19130_2m6e 1
32 . 1 1 5 5 TYR CD2 C 13 132.874 0.000 . 3 . . . A 5 TYR CD2 . c19130_2m6e 1
33 . 1 1 5 5 TYR CE1 C 13 117.979 0.000 . 3 . . . A 5 TYR CE1 . c19130_2m6e 1
34 . 1 1 5 5 TYR CE2 C 13 117.979 0.000 . 3 . . . A 5 TYR CE2 . c19130_2m6e 1
35 . 1 1 6 6 PRO HA H 1 3.167 0.001 . 1 . . . A 6 PRO HA . c19130_2m6e 1
36 . 1 1 6 6 PRO HB2 H 1 1.490 0.003 . 2 . . . A 6 PRO HB2 . c19130_2m6e 1
37 . 1 1 6 6 PRO HB3 H 1 0.925 0.001 . 2 . . . A 6 PRO HB3 . c19130_2m6e 1
38 . 1 1 6 6 PRO HG2 H 1 1.159 0.001 . 2 . . . A 6 PRO HG2 . c19130_2m6e 1
39 . 1 1 6 6 PRO HG3 H 1 0.199 0.004 . 2 . . . A 6 PRO HG3 . c19130_2m6e 1
40 . 1 1 6 6 PRO HD2 H 1 2.996 0.003 . 2 . . . A 6 PRO HD2 . c19130_2m6e 1
41 . 1 1 6 6 PRO HD3 H 1 2.800 0.001 . 2 . . . A 6 PRO HD3 . c19130_2m6e 1
42 . 1 1 6 6 PRO CA C 13 61.440 0.000 . 1 . . . A 6 PRO CA . c19130_2m6e 1
43 . 1 1 6 6 PRO CB C 13 31.459 0.000 . 1 . . . A 6 PRO CB . c19130_2m6e 1
44 . 1 1 6 6 PRO CG C 13 21.457 0.000 . 1 . . . A 6 PRO CG . c19130_2m6e 1
45 . 1 1 6 6 PRO CD C 13 47.343 0.000 . 1 . . . A 6 PRO CD . c19130_2m6e 1
46 . 1 1 7 7 TRP H H 1 8.425 0.001 . 1 . . . A 7 TRP H . c19130_2m6e 1
47 . 1 1 7 7 TRP HA H 1 4.548 0.001 . 1 . . . A 7 TRP HA . c19130_2m6e 1
48 . 1 1 7 7 TRP HB3 H 1 3.272 0.002 . 1 . . . A 7 TRP HB3 . c19130_2m6e 1
49 . 1 1 7 7 TRP HD1 H 1 7.090 0.002 . 1 . . . A 7 TRP HD1 . c19130_2m6e 1
50 . 1 1 7 7 TRP HE1 H 1 10.436 0.001 . 1 . . . A 7 TRP HE1 . c19130_2m6e 1
51 . 1 1 7 7 TRP HE3 H 1 7.594 0.001 . 1 . . . A 7 TRP HE3 . c19130_2m6e 1
52 . 1 1 7 7 TRP HZ2 H 1 7.283 0.001 . 1 . . . A 7 TRP HZ2 . c19130_2m6e 1
53 . 1 1 7 7 TRP HZ3 H 1 6.961 0.003 . 1 . . . A 7 TRP HZ3 . c19130_2m6e 1
54 . 1 1 7 7 TRP HH2 H 1 7.051 0.000 . 1 . . . A 7 TRP HH2 . c19130_2m6e 1
55 . 1 1 7 7 TRP CD1 C 13 125.921 0.000 . 1 . . . A 7 TRP CD1 . c19130_2m6e 1
56 . 1 1 7 7 TRP CE3 C 13 120.367 0.000 . 1 . . . A 7 TRP CE3 . c19130_2m6e 1
57 . 1 1 7 7 TRP CZ2 C 13 113.459 0.000 . 1 . . . A 7 TRP CZ2 . c19130_2m6e 1
58 . 1 1 7 7 TRP CZ3 C 13 121.147 0.000 . 1 . . . A 7 TRP CZ3 . c19130_2m6e 1
59 . 1 1 7 7 TRP CH2 C 13 123.613 0.000 . 1 . . . A 7 TRP CH2 . c19130_2m6e 1
60 . 1 1 8 8 CYS H H 1 7.542 0.001 . 1 . . . A 8 CYS H . c19130_2m6e 1
61 . 1 1 8 8 CYS HA H 1 4.634 0.001 . 1 . . . A 8 CYS HA . c19130_2m6e 1
62 . 1 1 8 8 CYS HB2 H 1 3.068 0.001 . 2 . . . A 8 CYS HB2 . c19130_2m6e 1
63 . 1 1 8 8 CYS HB3 H 1 3.295 0.000 . 2 . . . A 8 CYS HB3 . c19130_2m6e 1
stop_
save_
##############################
# Structure determinations #
##############################
##########################
# Conformer statistics #
##########################
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID c19130_2m6e
_Conformer_stat_list.ID 1
_Conformer_stat_list.Conf_family_coord_set_ID 1
_Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures
_Conformer_stat_list.Conformer_submitted_total_num 10
save_
#####################################
# Conformer family coordinate set #
#####################################
save_ensemble_of_conformers
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Sf_framecode ensemble_of_conformers
_Conformer_family_coord_set.Entry_ID c19130_2m6e
_Conformer_family_coord_set.ID 1
loop_
_Conformer_family_refinement.Refine_method
_Conformer_family_refinement.Refine_details
_Conformer_family_refinement.Software_ID
_Conformer_family_refinement.Software_label
_Conformer_family_refinement.Entry_ID
_Conformer_family_refinement.Conformer_family_coord_set_ID
1 . . . c19130_2m6e 1
stop_
loop_
_Conformer_family_software.Software_ID
_Conformer_family_software.Software_label
_Conformer_family_software.Method_ID
_Conformer_family_software.Method_label
_Conformer_family_software.Entry_ID
_Conformer_family_software.Conformer_family_coord_set_ID
. . . . c19130_2m6e 1
stop_
loop_
_Atom_site.Assembly_ID
_Atom_site.Model_ID
_Atom_site.Model_site_ID
_Atom_site.ID
_Atom_site.Assembly_atom_ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Cartn_x_esd
_Atom_site.Cartn_y_esd
_Atom_site.Cartn_z_esd
_Atom_site.Occupancy
_Atom_site.Occupancy_esd
_Atom_site.Uncertainty
_Atom_site.Ordered_flag
_Atom_site.Footnote_ID
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDBX_label_seq_ID
_Atom_site.PDBX_label_comp_ID
_Atom_site.PDBX_label_atom_ID
_Atom_site.PDBX_formal_charge
_Atom_site.PDBX_label_entity_ID
_Atom_site.PDB_record_ID
_Atom_site.PDB_model_num
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_ID
_Atom_site.Auth_alt_ID
_Atom_site.Auth_atom_name
_Atom_site.Details
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
. 1 . 1 . 1 1 1 GLY C C 3.448 -0.617 -1.104 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19130_2m6e 1
. 1 . 2 . 1 1 1 GLY CA C 2.071 0.001 -1.247 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19130_2m6e 1
. 1 . 3 . 1 1 1 GLY H1 H 1.811 -0.001 0.854 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19130_2m6e 1
. 1 . 4 . 1 1 1 GLY HA2 H 1.514 -0.555 -1.986 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19130_2m6e 1
. 1 . 5 . 1 1 1 GLY HA3 H 2.181 1.021 -1.587 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19130_2m6e 1
. 1 . 6 . 1 1 1 GLY N N 1.330 0.000 0.000 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19130_2m6e 1
. 1 . 7 . 1 1 1 GLY O O 4.422 0.079 -0.814 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19130_2m6e 1
. 1 . 8 . 1 1 2 CYS C C 5.631 -2.469 -2.460 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19130_2m6e 1
. 1 . 9 . 1 1 2 CYS CA C 4.797 -2.641 -1.194 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19130_2m6e 1
. 1 . 10 . 1 1 2 CYS CB C 4.548 -4.128 -0.931 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19130_2m6e 1
. 1 . 11 . 1 1 2 CYS H H 2.719 -2.429 -1.533 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19130_2m6e 1
. 1 . 12 . 1 1 2 CYS HA H 5.341 -2.223 -0.360 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19130_2m6e 1
. 1 . 13 . 1 1 2 CYS HB2 H 5.499 -4.633 -0.842 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19130_2m6e 1
. 1 . 14 . 1 1 2 CYS HB3 H 4.001 -4.235 -0.007 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19130_2m6e 1
. 1 . 15 . 1 1 2 CYS N N 3.530 -1.928 -1.304 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19130_2m6e 1
. 1 . 16 . 1 1 2 CYS O O 5.107 -2.523 -3.573 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19130_2m6e 1
. 1 . 17 . 1 1 2 CYS SG S 3.598 -4.965 -2.241 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19130_2m6e 1
. 1 . 18 . 1 1 3 VAL C C 7.683 -3.212 -4.425 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c19130_2m6e 1
. 1 . 19 . 1 1 3 VAL CA C 7.839 -2.084 -3.410 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c19130_2m6e 1
. 1 . 20 . 1 1 3 VAL CB C 9.306 -2.025 -2.947 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c19130_2m6e 1
. 1 . 21 . 1 1 3 VAL CG1 C 10.232 -1.792 -4.131 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c19130_2m6e 1
. 1 . 22 . 1 1 3 VAL CG2 C 9.489 -0.941 -1.895 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c19130_2m6e 1
. 1 . 23 . 1 1 3 VAL H H 7.290 -2.230 -1.371 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c19130_2m6e 1
. 1 . 24 . 1 1 3 VAL HA H 7.596 -1.147 -3.889 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c19130_2m6e 1
. 1 . 25 . 1 1 3 VAL HB H 9.560 -2.976 -2.501 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c19130_2m6e 1
. 1 . 26 . 1 1 3 VAL HG11 H 9.712 -1.220 -4.886 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c19130_2m6e 1
. 1 . 27 . 1 1 3 VAL HG12 H 11.106 -1.249 -3.804 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c19130_2m6e 1
. 1 . 28 . 1 1 3 VAL HG13 H 10.533 -2.743 -4.545 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c19130_2m6e 1
. 1 . 29 . 1 1 3 VAL HG21 H 8.567 -0.390 -1.784 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c19130_2m6e 1
. 1 . 30 . 1 1 3 VAL HG22 H 9.752 -1.396 -0.951 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c19130_2m6e 1
. 1 . 31 . 1 1 3 VAL HG23 H 10.276 -0.270 -2.203 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c19130_2m6e 1
. 1 . 32 . 1 1 3 VAL N N 6.932 -2.263 -2.283 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c19130_2m6e 1
. 1 . 33 . 1 1 3 VAL O O 8.180 -4.311 -4.184 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c19130_2m6e 1
. 1 . 34 . 1 1 4 . C C 5.360 -3.803 -7.085 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . c19130_2m6e 1
. 1 . 35 . 1 1 4 . CA C 6.792 -3.916 -6.560 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . c19130_2m6e 1
. 1 . 36 . 1 1 4 . CB C 7.858 -3.789 -7.651 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . c19130_2m6e 1
. 1 . 37 . 1 1 4 . CD1 C 7.969 -2.762 -9.951 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . c19130_2m6e 1
. 1 . 38 . 1 1 4 . CD2 C 8.934 -1.528 -7.955 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . c19130_2m6e 1
. 1 . 39 . 1 1 4 . CG C 7.848 -2.485 -8.451 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . c19130_2m6e 1
. 1 . 40 . 1 1 4 . H H 6.603 -2.023 -5.712 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . c19130_2m6e 1
. 1 . 41 . 1 1 4 . HA H 6.916 -4.896 -6.101 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . c19130_2m6e 1
. 1 . 42 . 1 1 4 . HB2 H 7.739 -4.620 -8.346 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . c19130_2m6e 1
. 1 . 43 . 1 1 4 . HB3 H 8.839 -3.900 -7.187 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . c19130_2m6e 1
. 1 . 44 . 1 1 4 . HD11 H 8.895 -3.303 -10.147 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . c19130_2m6e 1
. 1 . 45 . 1 1 4 . HD12 H 7.978 -1.817 -10.495 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . c19130_2m6e 1
. 1 . 46 . 1 1 4 . HD13 H 7.121 -3.362 -10.280 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . c19130_2m6e 1
. 1 . 47 . 1 1 4 . HD21 H 8.572 -0.992 -7.078 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . c19130_2m6e 1
. 1 . 48 . 1 1 4 . HD22 H 9.177 -0.815 -8.742 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . c19130_2m6e 1
. 1 . 49 . 1 1 4 . HD23 H 9.826 -2.097 -7.692 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . c19130_2m6e 1
. 1 . 50 . 1 1 4 . HG H 6.888 -1.994 -8.291 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . c19130_2m6e 1
. 1 . 51 . 1 1 4 . N N 7.004 -2.919 -5.524 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . c19130_2m6e 1
. 1 . 52 . 1 1 4 . O O 5.071 -4.060 -8.254 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . c19130_2m6e 1
. 1 . 53 . 1 1 5 TYR C C 2.895 -2.570 -7.886 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . c19130_2m6e 1
. 1 . 54 . 1 1 5 TYR CA C 3.054 -3.257 -6.533 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . c19130_2m6e 1
. 1 . 55 . 1 1 5 TYR CB C 2.328 -2.453 -5.453 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . c19130_2m6e 1
. 1 . 56 . 1 1 5 TYR CD1 C 0.775 -0.848 -6.631 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . c19130_2m6e 1
. 1 . 57 . 1 1 5 TYR CD2 C -0.185 -2.706 -5.487 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . c19130_2m6e 1
. 1 . 58 . 1 1 5 TYR CE1 C -0.484 -0.424 -7.010 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . c19130_2m6e 1
. 1 . 59 . 1 1 5 TYR CE2 C -1.448 -2.290 -5.862 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . c19130_2m6e 1
. 1 . 60 . 1 1 5 TYR CG C 0.947 -1.994 -5.865 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . c19130_2m6e 1
. 1 . 61 . 1 1 5 TYR CZ C -1.592 -1.149 -6.623 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . c19130_2m6e 1
. 1 . 62 . 1 1 5 TYR H H 4.753 -3.220 -5.272 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . c19130_2m6e 1
. 1 . 63 . 1 1 5 TYR HA H 2.617 -4.243 -6.589 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . c19130_2m6e 1
. 1 . 64 . 1 1 5 TYR HB2 H 2.223 -3.064 -4.569 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . c19130_2m6e 1
. 1 . 65 . 1 1 5 TYR HB3 H 2.911 -1.577 -5.212 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . c19130_2m6e 1
. 1 . 66 . 1 1 5 TYR HD1 H 1.645 -0.283 -6.933 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . c19130_2m6e 1
. 1 . 67 . 1 1 5 TYR HD2 H -0.068 -3.599 -4.890 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . c19130_2m6e 1
. 1 . 68 . 1 1 5 TYR HE1 H -0.598 0.469 -7.606 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . c19130_2m6e 1
. 1 . 69 . 1 1 5 TYR HE2 H -2.316 -2.857 -5.559 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . c19130_2m6e 1
. 1 . 70 . 1 1 5 TYR HH H -3.134 -0.019 -6.420 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . c19130_2m6e 1
. 1 . 71 . 1 1 5 TYR N N 4.462 -3.410 -6.188 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . c19130_2m6e 1
. 1 . 72 . 1 1 5 TYR O O 3.592 -1.607 -8.208 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . c19130_2m6e 1
. 1 . 73 . 1 1 5 TYR OH O -2.849 -0.731 -6.997 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . c19130_2m6e 1
. 1 . 74 . 1 1 6 PRO C C 1.914 -5.524 -8.272 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19130_2m6e 1
. 1 . 75 . 1 1 6 PRO CA C 1.121 -4.222 -8.326 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19130_2m6e 1
. 1 . 76 . 1 1 6 PRO CB C 0.077 -4.279 -9.445 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19130_2m6e 1
. 1 . 77 . 1 1 6 PRO CD C 1.637 -2.569 -10.044 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19130_2m6e 1
. 1 . 78 . 1 1 6 PRO CG C 0.738 -3.632 -10.613 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19130_2m6e 1
. 1 . 79 . 1 1 6 PRO HA H 0.628 -4.063 -7.379 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19130_2m6e 1
. 1 . 80 . 1 1 6 PRO HB2 H -0.175 -5.309 -9.653 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19130_2m6e 1
. 1 . 81 . 1 1 6 PRO HB3 H -0.808 -3.740 -9.143 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19130_2m6e 1
. 1 . 82 . 1 1 6 PRO HD2 H 2.531 -2.471 -10.641 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19130_2m6e 1
. 1 . 83 . 1 1 6 PRO HD3 H 1.115 -1.625 -9.985 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19130_2m6e 1
. 1 . 84 . 1 1 6 PRO HG2 H 1.318 -4.361 -11.157 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19130_2m6e 1
. 1 . 85 . 1 1 6 PRO HG3 H -0.007 -3.187 -11.255 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19130_2m6e 1
. 1 . 86 . 1 1 6 PRO N N 1.956 -3.076 -8.699 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19130_2m6e 1
. 1 . 87 . 1 1 6 PRO O O 1.545 -6.457 -7.560 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19130_2m6e 1
. 1 . 88 . 1 1 7 TRP C C 4.777 -6.812 -7.854 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c19130_2m6e 1
. 1 . 89 . 1 1 7 TRP CA C 3.851 -6.766 -9.065 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c19130_2m6e 1
. 1 . 90 . 1 1 7 TRP CB C 4.674 -6.791 -10.353 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c19130_2m6e 1
. 1 . 91 . 1 1 7 TRP CD1 C 4.169 -5.616 -12.574 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c19130_2m6e 1
. 1 . 92 . 1 1 7 TRP CD2 C 2.616 -7.102 -11.944 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c19130_2m6e 1
. 1 . 93 . 1 1 7 TRP CE2 C 2.221 -6.532 -13.171 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c19130_2m6e 1
. 1 . 94 . 1 1 7 TRP CE3 C 1.794 -8.066 -11.355 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c19130_2m6e 1
. 1 . 95 . 1 1 7 TRP CG C 3.864 -6.503 -11.581 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c19130_2m6e 1
. 1 . 96 . 1 1 7 TRP CH2 C 0.255 -7.840 -13.214 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c19130_2m6e 1
. 1 . 97 . 1 1 7 TRP CZ2 C 1.041 -6.894 -13.814 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c19130_2m6e 1
. 1 . 98 . 1 1 7 TRP CZ3 C 0.622 -8.424 -11.994 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c19130_2m6e 1
. 1 . 99 . 1 1 7 TRP H H 3.248 -4.801 -9.574 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c19130_2m6e 1
. 1 . 100 . 1 1 7 TRP HA H 3.205 -7.632 -9.043 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c19130_2m6e 1
. 1 . 101 . 1 1 7 TRP HB2 H 5.456 -6.050 -10.288 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c19130_2m6e 1
. 1 . 102 . 1 1 7 TRP HB3 H 5.119 -7.769 -10.468 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c19130_2m6e 1
. 1 . 103 . 1 1 7 TRP HD1 H 5.055 -5.001 -12.589 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c19130_2m6e 1
. 1 . 104 . 1 1 7 TRP HE1 H 3.175 -5.079 -14.346 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c19130_2m6e 1
. 1 . 105 . 1 1 7 TRP HE3 H 2.060 -8.528 -10.415 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c19130_2m6e 1
. 1 . 106 . 1 1 7 TRP HH2 H -0.669 -8.150 -13.678 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c19130_2m6e 1
. 1 . 107 . 1 1 7 TRP HZ2 H 0.744 -6.454 -14.755 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c19130_2m6e 1
. 1 . 108 . 1 1 7 TRP HZ3 H -0.026 -9.167 -11.553 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c19130_2m6e 1
. 1 . 109 . 1 1 7 TRP N N 3.005 -5.578 -9.028 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c19130_2m6e 1
. 1 . 110 . 1 1 7 TRP NE1 N 3.184 -5.628 -13.533 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c19130_2m6e 1
. 1 . 111 . 1 1 7 TRP O O 5.974 -6.548 -7.966 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c19130_2m6e 1
. 1 . 112 . 1 1 8 CYS C C 5.760 -8.548 -5.393 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19130_2m6e 1
. 1 . 113 . 1 1 8 CYS CA C 4.991 -7.232 -5.466 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19130_2m6e 1
. 1 . 114 . 1 1 8 CYS CB C 4.072 -7.096 -4.251 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19130_2m6e 1
. 1 . 115 . 1 1 8 CYS H H 3.256 -7.350 -6.672 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19130_2m6e 1
. 1 . 116 . 1 1 8 CYS HA H 5.698 -6.416 -5.464 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19130_2m6e 1
. 1 . 117 . 1 1 8 CYS HB2 H 3.099 -7.495 -4.499 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19130_2m6e 1
. 1 . 118 . 1 1 8 CYS HB3 H 4.488 -7.662 -3.430 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19130_2m6e 1
. 1 . 119 . 1 1 8 CYS N N 4.216 -7.151 -6.698 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19130_2m6e 1
. 1 . 120 . 1 1 8 CYS O O 5.326 -9.495 -4.737 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19130_2m6e 1
. 1 . 121 . 1 1 8 CYS SG S 3.838 -5.382 -3.682 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19130_2m6e 1
. 2 . 122 . 1 1 1 GLY C C 3.416 -0.689 -1.050 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19130_2m6e 1
. 2 . 123 . 1 1 1 GLY CA C 2.036 -0.079 -1.193 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19130_2m6e 1
. 2 . 124 . 1 1 1 GLY H1 H 2.298 1.634 0.024 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19130_2m6e 1
. 2 . 125 . 1 1 1 GLY HA2 H 1.354 -0.598 -0.536 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19130_2m6e 1
. 2 . 126 . 1 1 1 GLY HA3 H 1.704 -0.205 -2.213 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19130_2m6e 1
. 2 . 127 . 1 1 1 GLY N N 2.018 1.335 -0.866 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19130_2m6e 1
. 2 . 128 . 1 1 1 GLY O O 4.385 0.010 -0.750 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19130_2m6e 1
. 2 . 129 . 1 1 2 CYS C C 5.616 -2.515 -2.416 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19130_2m6e 1
. 2 . 130 . 1 1 2 CYS CA C 4.779 -2.704 -1.154 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19130_2m6e 1
. 2 . 131 . 1 1 2 CYS CB C 4.539 -4.194 -0.907 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19130_2m6e 1
. 2 . 132 . 1 1 2 CYS H H 2.700 -2.502 -1.499 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19130_2m6e 1
. 2 . 133 . 1 1 2 CYS HA H 5.317 -2.291 -0.315 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19130_2m6e 1
. 2 . 134 . 1 1 2 CYS HB2 H 5.491 -4.687 -0.770 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19130_2m6e 1
. 2 . 135 . 1 1 2 CYS HB3 H 3.946 -4.312 -0.012 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19130_2m6e 1
. 2 . 136 . 1 1 2 CYS N N 3.508 -1.998 -1.263 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19130_2m6e 1
. 2 . 137 . 1 1 2 CYS O O 5.096 -2.556 -3.531 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19130_2m6e 1
. 2 . 138 . 1 1 2 CYS SG S 3.669 -5.042 -2.264 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19130_2m6e 1
. 2 . 139 . 1 1 3 VAL C C 7.676 -3.229 -4.382 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c19130_2m6e 1
. 2 . 140 . 1 1 3 VAL CA C 7.826 -2.113 -3.354 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c19130_2m6e 1
. 2 . 141 . 1 1 3 VAL CB C 9.292 -2.055 -2.884 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c19130_2m6e 1
. 2 . 142 . 1 1 3 VAL CG1 C 10.222 -1.824 -4.065 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c19130_2m6e 1
. 2 . 143 . 1 1 3 VAL CG2 C 9.472 -0.970 -1.833 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c19130_2m6e 1
. 2 . 144 . 1 1 3 VAL H H 7.271 -2.285 -1.319 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c19130_2m6e 1
. 2 . 145 . 1 1 3 VAL HA H 7.582 -1.170 -3.822 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c19130_2m6e 1
. 2 . 146 . 1 1 3 VAL HB H 9.543 -3.005 -2.437 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c19130_2m6e 1
. 2 . 147 . 1 1 3 VAL HG11 H 10.791 -2.722 -4.256 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c19130_2m6e 1
. 2 . 148 . 1 1 3 VAL HG12 H 9.639 -1.573 -4.940 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c19130_2m6e 1
. 2 . 149 . 1 1 3 VAL HG13 H 10.898 -1.012 -3.838 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c19130_2m6e 1
. 2 . 150 . 1 1 3 VAL HG21 H 9.301 -1.388 -0.853 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c19130_2m6e 1
. 2 . 151 . 1 1 3 VAL HG22 H 10.477 -0.578 -1.888 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c19130_2m6e 1
. 2 . 152 . 1 1 3 VAL HG23 H 8.765 -0.173 -2.013 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c19130_2m6e 1
. 2 . 153 . 1 1 3 VAL N N 6.916 -2.307 -2.231 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c19130_2m6e 1
. 2 . 154 . 1 1 3 VAL O O 8.177 -4.329 -4.153 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c19130_2m6e 1
. 2 . 155 . 1 1 4 . C C 5.364 -3.794 -7.057 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . c19130_2m6e 1
. 2 . 156 . 1 1 4 . CA C 6.795 -3.910 -6.529 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . c19130_2m6e 1
. 2 . 157 . 1 1 4 . CB C 7.864 -3.768 -7.613 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . c19130_2m6e 1
. 2 . 158 . 1 1 4 . CD1 C 7.392 -2.534 -9.762 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . c19130_2m6e 1
. 2 . 159 . 1 1 4 . CD2 C 9.329 -1.827 -8.284 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . c19130_2m6e 1
. 2 . 160 . 1 1 4 . CG C 7.918 -2.417 -8.330 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . c19130_2m6e 1
. 2 . 161 . 1 1 4 . H H 6.596 -2.028 -5.658 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . c19130_2m6e 1
. 2 . 162 . 1 1 4 . HA H 6.919 -4.895 -6.080 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . c19130_2m6e 1
. 2 . 163 . 1 1 4 . HB2 H 7.703 -4.546 -8.359 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . c19130_2m6e 1
. 2 . 164 . 1 1 4 . HB3 H 8.838 -3.956 -7.162 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . c19130_2m6e 1
. 2 . 165 . 1 1 4 . HD11 H 6.310 -2.664 -9.742 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . c19130_2m6e 1
. 2 . 166 . 1 1 4 . HD12 H 7.852 -3.395 -10.248 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . c19130_2m6e 1
. 2 . 167 . 1 1 4 . HD13 H 7.640 -1.628 -10.315 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . c19130_2m6e 1
. 2 . 168 . 1 1 4 . HD21 H 9.461 -1.273 -7.355 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . c19130_2m6e 1
. 2 . 169 . 1 1 4 . HD22 H 9.470 -1.156 -9.131 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . c19130_2m6e 1
. 2 . 170 . 1 1 4 . HD23 H 10.061 -2.633 -8.333 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . c19130_2m6e 1
. 2 . 171 . 1 1 4 . HG H 7.263 -1.724 -7.802 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . c19130_2m6e 1
. 2 . 172 . 1 1 4 . N N 7.000 -2.925 -5.480 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . c19130_2m6e 1
. 2 . 173 . 1 1 4 . O O 5.079 -4.040 -8.230 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . c19130_2m6e 1
. 2 . 174 . 1 1 5 TYR C C 2.900 -2.558 -7.854 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . c19130_2m6e 1
. 2 . 175 . 1 1 5 TYR CA C 3.055 -3.259 -6.507 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . c19130_2m6e 1
. 2 . 176 . 1 1 5 TYR CB C 2.323 -2.468 -5.421 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . c19130_2m6e 1
. 2 . 177 . 1 1 5 TYR CD1 C 0.772 -0.853 -6.588 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . c19130_2m6e 1
. 2 . 178 . 1 1 5 TYR CD2 C -0.189 -2.725 -5.468 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . c19130_2m6e 1
. 2 . 179 . 1 1 5 TYR CE1 C -0.487 -0.428 -6.967 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . c19130_2m6e 1
. 2 . 180 . 1 1 5 TYR CE2 C -1.451 -2.307 -5.843 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . c19130_2m6e 1
. 2 . 181 . 1 1 5 TYR CG C 0.943 -2.007 -5.834 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . c19130_2m6e 1
. 2 . 182 . 1 1 5 TYR CZ C -1.595 -1.158 -6.592 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . c19130_2m6e 1
. 2 . 183 . 1 1 5 TYR H H 4.750 -3.231 -5.240 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . c19130_2m6e 1
. 2 . 184 . 1 1 5 TYR HA H 2.620 -4.245 -6.575 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . c19130_2m6e 1
. 2 . 185 . 1 1 5 TYR HB2 H 2.216 -3.088 -4.544 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . c19130_2m6e 1
. 2 . 186 . 1 1 5 TYR HB3 H 2.904 -1.593 -5.169 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . c19130_2m6e 1
. 2 . 187 . 1 1 5 TYR HD1 H 1.642 -0.283 -6.880 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . c19130_2m6e 1
. 2 . 188 . 1 1 5 TYR HD2 H -0.073 -3.624 -4.880 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . c19130_2m6e 1
. 2 . 189 . 1 1 5 TYR HE1 H -0.600 0.472 -7.554 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . c19130_2m6e 1
. 2 . 190 . 1 1 5 TYR HE2 H -2.319 -2.879 -5.549 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . c19130_2m6e 1
. 2 . 191 . 1 1 5 TYR HH H -3.402 -1.503 -7.149 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . c19130_2m6e 1
. 2 . 192 . 1 1 5 TYR N N 4.462 -3.413 -6.159 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . c19130_2m6e 1
. 2 . 193 . 1 1 5 TYR O O 3.595 -1.590 -8.163 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . c19130_2m6e 1
. 2 . 194 . 1 1 5 TYR OH O -2.851 -0.738 -6.967 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . c19130_2m6e 1
. 2 . 195 . 1 1 6 PRO C C 1.926 -5.509 -8.274 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19130_2m6e 1
. 2 . 196 . 1 1 6 PRO CA C 1.131 -4.209 -8.318 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19130_2m6e 1
. 2 . 197 . 1 1 6 PRO CB C 0.091 -4.256 -9.440 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19130_2m6e 1
. 2 . 198 . 1 1 6 PRO CD C 1.648 -2.537 -10.016 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19130_2m6e 1
. 2 . 199 . 1 1 6 PRO CG C 0.754 -3.595 -10.599 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19130_2m6e 1
. 2 . 200 . 1 1 6 PRO HA H 0.634 -4.061 -7.370 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19130_2m6e 1
. 2 . 201 . 1 1 6 PRO HB2 H -0.159 -5.285 -9.660 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19130_2m6e 1
. 2 . 202 . 1 1 6 PRO HB3 H -0.797 -3.722 -9.136 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19130_2m6e 1
. 2 . 203 . 1 1 6 PRO HD2 H 2.544 -2.431 -10.609 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19130_2m6e 1
. 2 . 204 . 1 1 6 PRO HD3 H 1.124 -1.595 -9.949 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19130_2m6e 1
. 2 . 205 . 1 1 6 PRO HG2 H 1.338 -4.318 -11.149 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19130_2m6e 1
. 2 . 206 . 1 1 6 PRO HG3 H 0.010 -3.146 -11.240 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19130_2m6e 1
. 2 . 207 . 1 1 6 PRO N N 1.964 -3.058 -8.675 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19130_2m6e 1
. 2 . 208 . 1 1 6 PRO O O 1.556 -6.451 -7.573 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19130_2m6e 1
. 2 . 209 . 1 1 7 TRP C C 4.790 -6.797 -7.860 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c19130_2m6e 1
. 2 . 210 . 1 1 7 TRP CA C 3.868 -6.739 -9.073 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c19130_2m6e 1
. 2 . 211 . 1 1 7 TRP CB C 4.696 -6.749 -10.359 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c19130_2m6e 1
. 2 . 212 . 1 1 7 TRP CD1 C 4.196 -5.553 -12.569 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c19130_2m6e 1
. 2 . 213 . 1 1 7 TRP CD2 C 2.644 -7.048 -11.960 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c19130_2m6e 1
. 2 . 214 . 1 1 7 TRP CE2 C 2.252 -6.466 -13.182 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c19130_2m6e 1
. 2 . 215 . 1 1 7 TRP CE3 C 1.822 -8.020 -11.383 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c19130_2m6e 1
. 2 . 216 . 1 1 7 TRP CG C 3.890 -6.450 -11.586 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c19130_2m6e 1
. 2 . 217 . 1 1 7 TRP CH2 C 0.289 -7.778 -13.246 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c19130_2m6e 1
. 2 . 218 . 1 1 7 TRP CZ2 C 1.075 -6.824 -13.833 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c19130_2m6e 1
. 2 . 219 . 1 1 7 TRP CZ3 C 0.653 -8.374 -12.031 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c19130_2m6e 1
. 2 . 220 . 1 1 7 TRP H H 3.263 -4.771 -9.564 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c19130_2m6e 1
. 2 . 221 . 1 1 7 TRP HA H 3.224 -7.607 -9.063 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c19130_2m6e 1
. 2 . 222 . 1 1 7 TRP HB2 H 5.476 -6.007 -10.283 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c19130_2m6e 1
. 2 . 223 . 1 1 7 TRP HB3 H 5.143 -7.725 -10.482 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c19130_2m6e 1
. 2 . 224 . 1 1 7 TRP HD1 H 5.081 -4.936 -12.575 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c19130_2m6e 1
. 2 . 225 . 1 1 7 TRP HE1 H 3.208 -4.999 -14.338 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c19130_2m6e 1
. 2 . 226 . 1 1 7 TRP HE3 H 2.085 -8.491 -10.448 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c19130_2m6e 1
. 2 . 227 . 1 1 7 TRP HH2 H -0.632 -8.085 -13.716 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c19130_2m6e 1
. 2 . 228 . 1 1 7 TRP HZ2 H 0.780 -6.374 -14.770 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c19130_2m6e 1
. 2 . 229 . 1 1 7 TRP HZ3 H 0.005 -9.123 -11.600 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c19130_2m6e 1
. 2 . 230 . 1 1 7 TRP N N 3.020 -5.554 -9.026 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c19130_2m6e 1
. 2 . 231 . 1 1 7 TRP NE1 N 3.215 -5.556 -13.531 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c19130_2m6e 1
. 2 . 232 . 1 1 7 TRP O O 5.987 -6.529 -7.964 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c19130_2m6e 1
. 2 . 233 . 1 1 8 CYS C C 5.767 -8.556 -5.413 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19130_2m6e 1
. 2 . 234 . 1 1 8 CYS CA C 4.997 -7.240 -5.475 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19130_2m6e 1
. 2 . 235 . 1 1 8 CYS CB C 4.073 -7.120 -4.262 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19130_2m6e 1
. 2 . 236 . 1 1 8 CYS H H 3.266 -7.350 -6.689 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19130_2m6e 1
. 2 . 237 . 1 1 8 CYS HA H 5.702 -6.423 -5.463 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19130_2m6e 1
. 2 . 238 . 1 1 8 CYS HB2 H 3.102 -7.518 -4.517 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19130_2m6e 1
. 2 . 239 . 1 1 8 CYS HB3 H 4.487 -7.693 -3.445 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19130_2m6e 1
. 2 . 240 . 1 1 8 CYS N N 4.225 -7.148 -6.709 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19130_2m6e 1
. 2 . 241 . 1 1 8 CYS O O 5.229 -9.582 -4.998 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19130_2m6e 1
. 2 . 242 . 1 1 8 CYS SG S 3.834 -5.411 -3.676 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19130_2m6e 1
. 3 . 243 . 1 1 1 GLY C C 3.415 -0.712 -1.031 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19130_2m6e 1
. 3 . 244 . 1 1 1 GLY CA C 2.031 -0.109 -1.166 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19130_2m6e 1
. 3 . 245 . 1 1 1 GLY H1 H 2.743 1.698 -0.324 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19130_2m6e 1
. 3 . 246 . 1 1 1 GLY HA2 H 1.356 -0.632 -0.505 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19130_2m6e 1
. 3 . 247 . 1 1 1 GLY HA3 H 1.694 -0.236 -2.184 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19130_2m6e 1
. 3 . 248 . 1 1 1 GLY N N 2.008 1.304 -0.838 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19130_2m6e 1
. 3 . 249 . 1 1 1 GLY O O 4.381 -0.009 -0.735 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19130_2m6e 1
. 3 . 250 . 1 1 2 CYS C C 5.618 -2.523 -2.412 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19130_2m6e 1
. 3 . 251 . 1 1 2 CYS CA C 4.788 -2.719 -1.147 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19130_2m6e 1
. 3 . 252 . 1 1 2 CYS CB C 4.557 -4.212 -0.902 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19130_2m6e 1
. 3 . 253 . 1 1 2 CYS H H 2.707 -2.528 -1.481 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19130_2m6e 1
. 3 . 254 . 1 1 2 CYS HA H 5.328 -2.305 -0.309 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19130_2m6e 1
. 3 . 255 . 1 1 2 CYS HB2 H 5.513 -4.701 -0.782 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19130_2m6e 1
. 3 . 256 . 1 1 2 CYS HB3 H 3.980 -4.335 0.002 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19130_2m6e 1
. 3 . 257 . 1 1 2 CYS N N 3.513 -2.020 -1.247 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19130_2m6e 1
. 3 . 258 . 1 1 2 CYS O O 5.092 -2.565 -3.525 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19130_2m6e 1
. 3 . 259 . 1 1 2 CYS SG S 3.668 -5.057 -2.249 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19130_2m6e 1
. 3 . 260 . 1 1 3 VAL C C 7.672 -3.220 -4.390 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c19130_2m6e 1
. 3 . 261 . 1 1 3 VAL CA C 7.821 -2.106 -3.361 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c19130_2m6e 1
. 3 . 262 . 1 1 3 VAL CB C 9.288 -2.041 -2.898 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c19130_2m6e 1
. 3 . 263 . 1 1 3 VAL CG1 C 10.214 -1.831 -4.087 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c19130_2m6e 1
. 3 . 264 . 1 1 3 VAL CG2 C 9.473 -0.938 -1.867 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c19130_2m6e 1
. 3 . 265 . 1 1 3 VAL H H 7.277 -2.285 -1.323 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c19130_2m6e 1
. 3 . 266 . 1 1 3 VAL HA H 7.569 -1.163 -3.825 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c19130_2m6e 1
. 3 . 267 . 1 1 3 VAL HB H 9.541 -2.983 -2.436 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c19130_2m6e 1
. 3 . 268 . 1 1 3 VAL HG11 H 10.280 -2.746 -4.657 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c19130_2m6e 1
. 3 . 269 . 1 1 3 VAL HG12 H 9.823 -1.043 -4.714 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c19130_2m6e 1
. 3 . 270 . 1 1 3 VAL HG13 H 11.197 -1.556 -3.734 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c19130_2m6e 1
. 3 . 271 . 1 1 3 VAL HG21 H 10.516 -0.872 -1.595 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c19130_2m6e 1
. 3 . 272 . 1 1 3 VAL HG22 H 9.151 0.005 -2.286 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c19130_2m6e 1
. 3 . 273 . 1 1 3 VAL HG23 H 8.885 -1.162 -0.990 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c19130_2m6e 1
. 3 . 274 . 1 1 3 VAL N N 6.917 -2.307 -2.234 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c19130_2m6e 1
. 3 . 275 . 1 1 3 VAL O O 8.179 -4.318 -4.167 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c19130_2m6e 1
. 3 . 276 . 1 1 4 . C C 5.350 -3.793 -7.056 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . c19130_2m6e 1
. 3 . 277 . 1 1 4 . CA C 6.784 -3.901 -6.535 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . c19130_2m6e 1
. 3 . 278 . 1 1 4 . CB C 7.847 -3.750 -7.624 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . c19130_2m6e 1
. 3 . 279 . 1 1 4 . CD1 C 7.536 -2.489 -9.786 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . c19130_2m6e 1
. 3 . 280 . 1 1 4 . CD2 C 9.295 -1.745 -8.116 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . c19130_2m6e 1
. 3 . 281 . 1 1 4 . CG C 7.918 -2.383 -8.308 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . c19130_2m6e 1
. 3 . 282 . 1 1 4 . H H 6.580 -2.022 -5.659 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . c19130_2m6e 1
. 3 . 283 . 1 1 4 . HA H 6.917 -4.887 -6.089 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . c19130_2m6e 1
. 3 . 284 . 1 1 4 . HB2 H 7.667 -4.507 -8.388 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . c19130_2m6e 1
. 3 . 285 . 1 1 4 . HB3 H 8.822 -3.966 -7.186 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . c19130_2m6e 1
. 3 . 286 . 1 1 4 . HD11 H 7.733 -3.501 -10.140 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . c19130_2m6e 1
. 3 . 287 . 1 1 4 . HD12 H 8.127 -1.780 -10.365 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . c19130_2m6e 1
. 3 . 288 . 1 1 4 . HD13 H 6.477 -2.261 -9.904 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . c19130_2m6e 1
. 3 . 289 . 1 1 4 . HD21 H 9.535 -1.131 -8.984 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . c19130_2m6e 1
. 3 . 290 . 1 1 4 . HD22 H 10.046 -2.527 -8.006 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . c19130_2m6e 1
. 3 . 291 . 1 1 4 . HD23 H 9.285 -1.121 -7.222 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . c19130_2m6e 1
. 3 . 292 . 1 1 4 . HG H 7.190 -1.726 -7.834 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . c19130_2m6e 1
. 3 . 293 . 1 1 4 . N N 6.989 -2.918 -5.484 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . c19130_2m6e 1
. 3 . 294 . 1 1 4 . O O 5.061 -4.037 -8.227 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . c19130_2m6e 1
. 3 . 295 . 1 1 5 TYR C C 2.875 -2.569 -7.836 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . c19130_2m6e 1
. 3 . 296 . 1 1 5 TYR CA C 3.041 -3.271 -6.493 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . c19130_2m6e 1
. 3 . 297 . 1 1 5 TYR CB C 2.310 -2.488 -5.401 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . c19130_2m6e 1
. 3 . 298 . 1 1 5 TYR CD1 C 0.743 -0.879 -6.556 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . c19130_2m6e 1
. 3 . 299 . 1 1 5 TYR CD2 C -0.200 -2.759 -5.435 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . c19130_2m6e 1
. 3 . 300 . 1 1 5 TYR CE1 C -0.520 -0.460 -6.927 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . c19130_2m6e 1
. 3 . 301 . 1 1 5 TYR CE2 C -1.467 -2.348 -5.803 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . c19130_2m6e 1
. 3 . 302 . 1 1 5 TYR CG C 0.925 -2.034 -5.805 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . c19130_2m6e 1
. 3 . 303 . 1 1 5 TYR CZ C -1.622 -1.198 -6.549 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . c19130_2m6e 1
. 3 . 304 . 1 1 5 TYR H H 4.742 -3.237 -5.234 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . c19130_2m6e 1
. 3 . 305 . 1 1 5 TYR HA H 2.611 -4.260 -6.561 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . c19130_2m6e 1
. 3 . 306 . 1 1 5 TYR HB2 H 2.212 -3.110 -4.525 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . c19130_2m6e 1
. 3 . 307 . 1 1 5 TYR HB3 H 2.887 -1.610 -5.150 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . c19130_2m6e 1
. 3 . 308 . 1 1 5 TYR HD1 H 1.609 -0.303 -6.851 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . c19130_2m6e 1
. 3 . 309 . 1 1 5 TYR HD2 H -0.076 -3.659 -4.850 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . c19130_2m6e 1
. 3 . 310 . 1 1 5 TYR HE1 H -0.641 0.440 -7.512 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . c19130_2m6e 1
. 3 . 311 . 1 1 5 TYR HE2 H -2.330 -2.925 -5.506 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . c19130_2m6e 1
. 3 . 312 . 1 1 5 TYR HH H -3.107 -1.164 -7.769 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . c19130_2m6e 1
. 3 . 313 . 1 1 5 TYR N N 4.451 -3.418 -6.152 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . c19130_2m6e 1
. 3 . 314 . 1 1 5 TYR O O 3.563 -1.596 -8.147 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . c19130_2m6e 1
. 3 . 315 . 1 1 5 TYR OH O -2.882 -0.785 -6.916 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . c19130_2m6e 1
. 3 . 316 . 1 1 6 PRO C C 1.916 -5.524 -8.259 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19130_2m6e 1
. 3 . 317 . 1 1 6 PRO CA C 1.113 -4.229 -8.295 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19130_2m6e 1
. 3 . 318 . 1 1 6 PRO CB C 0.068 -4.279 -9.413 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19130_2m6e 1
. 3 . 319 . 1 1 6 PRO CD C 1.612 -2.549 -9.992 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19130_2m6e 1
. 3 . 320 . 1 1 6 PRO CG C 0.721 -3.612 -10.573 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19130_2m6e 1
. 3 . 321 . 1 1 6 PRO HA H 0.620 -4.085 -7.345 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19130_2m6e 1
. 3 . 322 . 1 1 6 PRO HB2 H -0.177 -5.308 -9.634 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19130_2m6e 1
. 3 . 323 . 1 1 6 PRO HB3 H -0.821 -3.751 -9.103 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19130_2m6e 1
. 3 . 324 . 1 1 6 PRO HD2 H 2.505 -2.437 -10.590 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19130_2m6e 1
. 3 . 325 . 1 1 6 PRO HD3 H 1.083 -1.610 -9.920 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19130_2m6e 1
. 3 . 326 . 1 1 6 PRO HG2 H 1.306 -4.329 -11.128 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19130_2m6e 1
. 3 . 327 . 1 1 6 PRO HG3 H -0.029 -3.165 -11.209 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19130_2m6e 1
. 3 . 328 . 1 1 6 PRO N N 1.938 -3.071 -8.654 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19130_2m6e 1
. 3 . 329 . 1 1 6 PRO O O 1.555 -6.470 -7.558 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19130_2m6e 1
. 3 . 330 . 1 1 7 TRP C C 4.789 -6.796 -7.862 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c19130_2m6e 1
. 3 . 331 . 1 1 7 TRP CA C 3.861 -6.741 -9.070 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c19130_2m6e 1
. 3 . 332 . 1 1 7 TRP CB C 4.682 -6.744 -10.361 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c19130_2m6e 1
. 3 . 333 . 1 1 7 TRP CD1 C 4.164 -5.544 -12.566 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c19130_2m6e 1
. 3 . 334 . 1 1 7 TRP CD2 C 2.623 -7.050 -11.952 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c19130_2m6e 1
. 3 . 335 . 1 1 7 TRP CE2 C 2.222 -6.467 -13.170 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c19130_2m6e 1
. 3 . 336 . 1 1 7 TRP CE3 C 1.809 -8.028 -11.373 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c19130_2m6e 1
. 3 . 337 . 1 1 7 TRP CG C 3.868 -6.446 -11.583 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c19130_2m6e 1
. 3 . 338 . 1 1 7 TRP CH2 C 0.266 -7.790 -13.227 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c19130_2m6e 1
. 3 . 339 . 1 1 7 TRP CZ2 C 1.043 -6.830 -13.816 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c19130_2m6e 1
. 3 . 340 . 1 1 7 TRP CZ3 C 0.640 -8.387 -12.016 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c19130_2m6e 1
. 3 . 341 . 1 1 7 TRP H H 3.242 -4.775 -9.554 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c19130_2m6e 1
. 3 . 342 . 1 1 7 TRP HA H 3.222 -7.612 -9.059 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c19130_2m6e 1
. 3 . 343 . 1 1 7 TRP HB2 H 5.458 -5.997 -10.288 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c19130_2m6e 1
. 3 . 344 . 1 1 7 TRP HB3 H 5.134 -7.717 -10.489 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c19130_2m6e 1
. 3 . 345 . 1 1 7 TRP HD1 H 5.046 -4.923 -12.574 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c19130_2m6e 1
. 3 . 346 . 1 1 7 TRP HE1 H 3.163 -4.992 -14.328 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c19130_2m6e 1
. 3 . 347 . 1 1 7 TRP HE3 H 2.081 -8.499 -10.440 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c19130_2m6e 1
. 3 . 348 . 1 1 7 TRP HH2 H -0.656 -8.101 -13.693 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c19130_2m6e 1
. 3 . 349 . 1 1 7 TRP HZ2 H 0.742 -6.380 -14.751 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c19130_2m6e 1
. 3 . 350 . 1 1 7 TRP HZ3 H -0.002 -9.140 -11.583 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c19130_2m6e 1
. 3 . 351 . 1 1 7 TRP N N 3.006 -5.561 -9.017 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c19130_2m6e 1
. 3 . 352 . 1 1 7 TRP NE1 N 3.178 -5.551 -13.523 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c19130_2m6e 1
. 3 . 353 . 1 1 7 TRP O O 5.984 -6.521 -7.972 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c19130_2m6e 1
. 3 . 354 . 1 1 8 CYS C C 5.790 -8.555 -5.425 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19130_2m6e 1
. 3 . 355 . 1 1 8 CYS CA C 5.011 -7.244 -5.480 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19130_2m6e 1
. 3 . 356 . 1 1 8 CYS CB C 4.093 -7.132 -4.261 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19130_2m6e 1
. 3 . 357 . 1 1 8 CYS H H 3.275 -7.361 -6.685 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19130_2m6e 1
. 3 . 358 . 1 1 8 CYS HA H 5.712 -6.423 -5.469 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19130_2m6e 1
. 3 . 359 . 1 1 8 CYS HB2 H 3.123 -7.535 -4.513 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19130_2m6e 1
. 3 . 360 . 1 1 8 CYS HB3 H 4.515 -7.704 -3.449 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19130_2m6e 1
. 3 . 361 . 1 1 8 CYS N N 4.233 -7.153 -6.710 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19130_2m6e 1
. 3 . 362 . 1 1 8 CYS O O 5.215 -9.636 -5.558 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19130_2m6e 1
. 3 . 363 . 1 1 8 CYS SG S 3.847 -5.426 -3.671 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19130_2m6e 1
. 4 . 364 . 1 1 1 GLY C C 3.435 -0.705 -1.038 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19130_2m6e 1
. 4 . 365 . 1 1 1 GLY CA C 2.053 -0.098 -1.171 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19130_2m6e 1
. 4 . 366 . 1 1 1 GLY H1 H 2.859 1.774 -0.596 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19130_2m6e 1
. 4 . 367 . 1 1 1 GLY HA2 H 1.367 -0.649 -0.545 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19130_2m6e 1
. 4 . 368 . 1 1 1 GLY HA3 H 1.732 -0.182 -2.199 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19130_2m6e 1
. 4 . 369 . 1 1 1 GLY N N 2.021 1.300 -0.784 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19130_2m6e 1
. 4 . 370 . 1 1 1 GLY O O 4.404 -0.004 -0.746 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19130_2m6e 1
. 4 . 371 . 1 1 2 CYS C C 5.628 -2.527 -2.420 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19130_2m6e 1
. 4 . 372 . 1 1 2 CYS CA C 4.801 -2.717 -1.152 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19130_2m6e 1
. 4 . 373 . 1 1 2 CYS CB C 4.566 -4.208 -0.902 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19130_2m6e 1
. 4 . 374 . 1 1 2 CYS H H 2.719 -2.520 -1.481 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19130_2m6e 1
. 4 . 375 . 1 1 2 CYS HA H 5.345 -2.303 -0.317 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19130_2m6e 1
. 4 . 376 . 1 1 2 CYS HB2 H 5.520 -4.703 -0.802 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19130_2m6e 1
. 4 . 377 . 1 1 2 CYS HB3 H 4.006 -4.328 0.014 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19130_2m6e 1
. 4 . 378 . 1 1 2 CYS N N 3.528 -2.014 -1.251 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19130_2m6e 1
. 4 . 379 . 1 1 2 CYS O O 5.099 -2.571 -3.531 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19130_2m6e 1
. 4 . 380 . 1 1 2 CYS SG S 3.643 -5.048 -2.229 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19130_2m6e 1
. 4 . 381 . 1 1 3 VAL C C 7.674 -3.236 -4.401 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c19130_2m6e 1
. 4 . 382 . 1 1 3 VAL CA C 7.829 -2.120 -3.375 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c19130_2m6e 1
. 4 . 383 . 1 1 3 VAL CB C 9.299 -2.058 -2.917 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c19130_2m6e 1
. 4 . 384 . 1 1 3 VAL CG1 C 10.223 -1.878 -4.111 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c19130_2m6e 1
. 4 . 385 . 1 1 3 VAL CG2 C 9.495 -0.939 -1.906 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c19130_2m6e 1
. 4 . 386 . 1 1 3 VAL H H 7.291 -2.291 -1.335 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c19130_2m6e 1
. 4 . 387 . 1 1 3 VAL HA H 7.580 -1.178 -3.842 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c19130_2m6e 1
. 4 . 388 . 1 1 3 VAL HB H 9.545 -2.995 -2.438 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c19130_2m6e 1
. 4 . 389 . 1 1 3 VAL HG11 H 9.905 -1.020 -4.686 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c19130_2m6e 1
. 4 . 390 . 1 1 3 VAL HG12 H 11.235 -1.725 -3.764 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c19130_2m6e 1
. 4 . 391 . 1 1 3 VAL HG13 H 10.185 -2.760 -4.733 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c19130_2m6e 1
. 4 . 392 . 1 1 3 VAL HG21 H 8.907 -1.144 -1.024 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c19130_2m6e 1
. 4 . 393 . 1 1 3 VAL HG22 H 10.539 -0.876 -1.636 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c19130_2m6e 1
. 4 . 394 . 1 1 3 VAL HG23 H 9.179 -0.002 -2.340 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c19130_2m6e 1
. 4 . 395 . 1 1 3 VAL N N 6.928 -2.315 -2.246 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c19130_2m6e 1
. 4 . 396 . 1 1 3 VAL O O 8.178 -4.336 -4.176 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c19130_2m6e 1
. 4 . 397 . 1 1 4 . C C 5.344 -3.808 -7.059 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . c19130_2m6e 1
. 4 . 398 . 1 1 4 . CA C 6.779 -3.920 -6.542 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . c19130_2m6e 1
. 4 . 399 . 1 1 4 . CB C 7.840 -3.776 -7.635 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . c19130_2m6e 1
. 4 . 400 . 1 1 4 . CD1 C 8.203 -2.694 -9.884 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . c19130_2m6e 1
. 4 . 401 . 1 1 4 . CD2 C 8.707 -1.411 -7.755 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . c19130_2m6e 1
. 4 . 402 . 1 1 4 . CG C 7.819 -2.463 -8.421 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . c19130_2m6e 1
. 4 . 403 . 1 1 4 . H H 6.584 -2.038 -5.671 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . c19130_2m6e 1
. 4 . 404 . 1 1 4 . HA H 6.909 -4.905 -6.094 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . c19130_2m6e 1
. 4 . 405 . 1 1 4 . HB2 H 7.722 -4.600 -8.338 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . c19130_2m6e 1
. 4 . 406 . 1 1 4 . HB3 H 8.823 -3.886 -7.176 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . c19130_2m6e 1
. 4 . 407 . 1 1 4 . HD11 H 9.289 -2.687 -9.980 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . c19130_2m6e 1
. 4 . 408 . 1 1 4 . HD12 H 7.778 -1.903 -10.501 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . c19130_2m6e 1
. 4 . 409 . 1 1 4 . HD13 H 7.816 -3.659 -10.213 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . c19130_2m6e 1
. 4 . 410 . 1 1 4 . HD21 H 9.156 -0.777 -8.520 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . c19130_2m6e 1
. 4 . 411 . 1 1 4 . HD22 H 9.493 -1.906 -7.185 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . c19130_2m6e 1
. 4 . 412 . 1 1 4 . HD23 H 8.103 -0.798 -7.085 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . c19130_2m6e 1
. 4 . 413 . 1 1 4 . HG H 6.800 -2.077 -8.413 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . c19130_2m6e 1
. 4 . 414 . 1 1 4 . N N 6.990 -2.934 -5.495 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . c19130_2m6e 1
. 4 . 415 . 1 1 4 . O O 5.051 -4.055 -8.229 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . c19130_2m6e 1
. 4 . 416 . 1 1 5 TYR C C 2.871 -2.578 -7.837 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . c19130_2m6e 1
. 4 . 417 . 1 1 5 TYR CA C 3.038 -3.278 -6.491 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . c19130_2m6e 1
. 4 . 418 . 1 1 5 TYR CB C 2.313 -2.489 -5.400 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . c19130_2m6e 1
. 4 . 419 . 1 1 5 TYR CD1 C 0.749 -0.878 -6.555 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . c19130_2m6e 1
. 4 . 420 . 1 1 5 TYR CD2 C -0.199 -2.751 -5.427 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . c19130_2m6e 1
. 4 . 421 . 1 1 5 TYR CE1 C -0.514 -0.455 -6.924 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . c19130_2m6e 1
. 4 . 422 . 1 1 5 TYR CE2 C -1.465 -2.336 -5.792 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . c19130_2m6e 1
. 4 . 423 . 1 1 5 TYR CG C 0.929 -2.031 -5.802 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . c19130_2m6e 1
. 4 . 424 . 1 1 5 TYR CZ C -1.617 -1.188 -6.541 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . c19130_2m6e 1
. 4 . 425 . 1 1 5 TYR H H 4.743 -3.246 -5.238 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . c19130_2m6e 1
. 4 . 426 . 1 1 5 TYR HA H 2.605 -4.265 -6.556 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . c19130_2m6e 1
. 4 . 427 . 1 1 5 TYR HB2 H 2.214 -3.108 -4.522 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . c19130_2m6e 1
. 4 . 428 . 1 1 5 TYR HB3 H 2.894 -1.612 -5.153 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . c19130_2m6e 1
. 4 . 429 . 1 1 5 TYR HD1 H 1.615 -0.305 -6.855 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . c19130_2m6e 1
. 4 . 430 . 1 1 5 TYR HD2 H -0.076 -3.650 -4.840 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . c19130_2m6e 1
. 4 . 431 . 1 1 5 TYR HE1 H -0.633 0.444 -7.511 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . c19130_2m6e 1
. 4 . 432 . 1 1 5 TYR HE2 H -2.329 -2.910 -5.492 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . c19130_2m6e 1
. 4 . 433 . 1 1 5 TYR HH H -2.905 -0.633 -7.855 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . c19130_2m6e 1
. 4 . 434 . 1 1 5 TYR N N 4.448 -3.428 -6.154 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . c19130_2m6e 1
. 4 . 435 . 1 1 5 TYR O O 3.561 -1.609 -8.152 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . c19130_2m6e 1
. 4 . 436 . 1 1 5 TYR OH O -2.877 -0.771 -6.906 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . c19130_2m6e 1
. 4 . 437 . 1 1 6 PRO C C 1.901 -5.532 -8.248 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19130_2m6e 1
. 4 . 438 . 1 1 6 PRO CA C 1.102 -4.233 -8.286 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19130_2m6e 1
. 4 . 439 . 1 1 6 PRO CB C 0.053 -4.283 -9.400 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19130_2m6e 1
. 4 . 440 . 1 1 6 PRO CD C 1.602 -2.560 -9.989 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19130_2m6e 1
. 4 . 441 . 1 1 6 PRO CG C 0.706 -3.621 -10.565 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19130_2m6e 1
. 4 . 442 . 1 1 6 PRO HA H 0.612 -4.086 -7.335 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19130_2m6e 1
. 4 . 443 . 1 1 6 PRO HB2 H -0.196 -5.312 -9.618 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19130_2m6e 1
. 4 . 444 . 1 1 6 PRO HB3 H -0.833 -3.751 -9.090 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19130_2m6e 1
. 4 . 445 . 1 1 6 PRO HD2 H 2.493 -2.452 -10.589 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19130_2m6e 1
. 4 . 446 . 1 1 6 PRO HD3 H 1.076 -1.620 -9.918 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19130_2m6e 1
. 4 . 447 . 1 1 6 PRO HG2 H 1.287 -4.343 -11.119 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19130_2m6e 1
. 4 . 448 . 1 1 6 PRO HG3 H -0.044 -3.173 -11.200 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19130_2m6e 1
. 4 . 449 . 1 1 6 PRO N N 1.930 -3.080 -8.650 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19130_2m6e 1
. 4 . 450 . 1 1 6 PRO O O 1.538 -6.474 -7.544 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19130_2m6e 1
. 4 . 451 . 1 1 7 TRP C C 4.770 -6.812 -7.856 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c19130_2m6e 1
. 4 . 452 . 1 1 7 TRP CA C 3.839 -6.757 -9.062 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c19130_2m6e 1
. 4 . 453 . 1 1 7 TRP CB C 4.657 -6.766 -10.354 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c19130_2m6e 1
. 4 . 454 . 1 1 7 TRP CD1 C 4.137 -5.571 -12.561 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c19130_2m6e 1
. 4 . 455 . 1 1 7 TRP CD2 C 2.593 -7.070 -11.940 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c19130_2m6e 1
. 4 . 456 . 1 1 7 TRP CE2 C 2.190 -6.489 -13.158 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c19130_2m6e 1
. 4 . 457 . 1 1 7 TRP CE3 C 1.777 -8.043 -11.356 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c19130_2m6e 1
. 4 . 458 . 1 1 7 TRP CG C 3.840 -6.469 -11.576 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c19130_2m6e 1
. 4 . 459 . 1 1 7 TRP CH2 C 0.230 -7.806 -13.206 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c19130_2m6e 1
. 4 . 460 . 1 1 7 TRP CZ2 C 1.009 -6.850 -13.800 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c19130_2m6e 1
. 4 . 461 . 1 1 7 TRP CZ3 C 0.605 -8.400 -11.994 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c19130_2m6e 1
. 4 . 462 . 1 1 7 TRP H H 3.225 -4.790 -9.549 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c19130_2m6e 1
. 4 . 463 . 1 1 7 TRP HA H 3.197 -7.626 -9.046 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c19130_2m6e 1
. 4 . 464 . 1 1 7 TRP HB2 H 5.436 -6.022 -10.285 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c19130_2m6e 1
. 4 . 465 . 1 1 7 TRP HB3 H 5.105 -7.741 -10.481 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c19130_2m6e 1
. 4 . 466 . 1 1 7 TRP HD1 H 5.021 -4.952 -12.574 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c19130_2m6e 1
. 4 . 467 . 1 1 7 TRP HE1 H 3.133 -5.021 -14.323 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c19130_2m6e 1
. 4 . 468 . 1 1 7 TRP HE3 H 2.050 -8.513 -10.422 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c19130_2m6e 1
. 4 . 469 . 1 1 7 TRP HH2 H -0.694 -8.115 -13.669 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c19130_2m6e 1
. 4 . 470 . 1 1 7 TRP HZ2 H 0.706 -6.401 -14.735 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c19130_2m6e 1
. 4 . 471 . 1 1 7 TRP HZ3 H -0.038 -9.150 -11.558 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c19130_2m6e 1
. 4 . 472 . 1 1 7 TRP N N 2.988 -5.574 -9.009 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c19130_2m6e 1
. 4 . 473 . 1 1 7 TRP NE1 N 3.148 -5.578 -13.516 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c19130_2m6e 1
. 4 . 474 . 1 1 7 TRP O O 5.966 -6.542 -7.970 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c19130_2m6e 1
. 4 . 475 . 1 1 8 CYS C C 5.771 -8.568 -5.416 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19130_2m6e 1
. 4 . 476 . 1 1 8 CYS CA C 4.997 -7.255 -5.473 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19130_2m6e 1
. 4 . 477 . 1 1 8 CYS CB C 4.082 -7.135 -4.252 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19130_2m6e 1
. 4 . 478 . 1 1 8 CYS H H 3.257 -7.368 -6.673 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19130_2m6e 1
. 4 . 479 . 1 1 8 CYS HA H 5.700 -6.436 -5.466 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19130_2m6e 1
. 4 . 480 . 1 1 8 CYS HB2 H 3.110 -7.536 -4.500 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19130_2m6e 1
. 4 . 481 . 1 1 8 CYS HB3 H 4.504 -7.707 -3.439 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19130_2m6e 1
. 4 . 482 . 1 1 8 CYS N N 4.216 -7.164 -6.701 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19130_2m6e 1
. 4 . 483 . 1 1 8 CYS O O 5.383 -9.556 -6.041 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19130_2m6e 1
. 4 . 484 . 1 1 8 CYS SG S 3.844 -5.427 -3.666 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19130_2m6e 1
. 5 . 485 . 1 1 1 GLY C C 3.419 -0.704 -1.034 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19130_2m6e 1
. 5 . 486 . 1 1 1 GLY CA C 2.038 -0.095 -1.176 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19130_2m6e 1
. 5 . 487 . 1 1 1 GLY H1 H 1.155 1.789 -0.782 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19130_2m6e 1
. 5 . 488 . 1 1 1 GLY HA2 H 1.331 -0.701 -0.630 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19130_2m6e 1
. 5 . 489 . 1 1 1 GLY HA3 H 1.764 -0.093 -2.221 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19130_2m6e 1
. 5 . 490 . 1 1 1 GLY N N 1.977 1.265 -0.674 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19130_2m6e 1
. 5 . 491 . 1 1 1 GLY O O 4.387 -0.003 -0.737 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19130_2m6e 1
. 5 . 492 . 1 1 2 CYS C C 5.618 -2.529 -2.400 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19130_2m6e 1
. 5 . 493 . 1 1 2 CYS CA C 4.783 -2.717 -1.137 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19130_2m6e 1
. 5 . 494 . 1 1 2 CYS CB C 4.544 -4.208 -0.887 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19130_2m6e 1
. 5 . 495 . 1 1 2 CYS H H 2.704 -2.518 -1.479 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19130_2m6e 1
. 5 . 496 . 1 1 2 CYS HA H 5.322 -2.302 -0.299 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19130_2m6e 1
. 5 . 497 . 1 1 2 CYS HB2 H 5.497 -4.701 -0.762 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19130_2m6e 1
. 5 . 498 . 1 1 2 CYS HB3 H 3.963 -4.325 0.015 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19130_2m6e 1
. 5 . 499 . 1 1 2 CYS N N 3.511 -2.013 -1.245 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19130_2m6e 1
. 5 . 500 . 1 1 2 CYS O O 5.097 -2.572 -3.515 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19130_2m6e 1
. 5 . 501 . 1 1 2 CYS SG S 3.657 -5.055 -2.234 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19130_2m6e 1
. 5 . 502 . 1 1 3 VAL C C 7.676 -3.245 -4.368 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c19130_2m6e 1
. 5 . 503 . 1 1 3 VAL CA C 7.827 -2.128 -3.342 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c19130_2m6e 1
. 5 . 504 . 1 1 3 VAL CB C 9.293 -2.069 -2.875 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c19130_2m6e 1
. 5 . 505 . 1 1 3 VAL CG1 C 10.225 -1.884 -4.062 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c19130_2m6e 1
. 5 . 506 . 1 1 3 VAL CG2 C 9.484 -0.954 -1.857 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c19130_2m6e 1
. 5 . 507 . 1 1 3 VAL H H 7.275 -2.297 -1.305 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c19130_2m6e 1
. 5 . 508 . 1 1 3 VAL HA H 7.582 -1.185 -3.811 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c19130_2m6e 1
. 5 . 509 . 1 1 3 VAL HB H 9.536 -3.008 -2.398 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c19130_2m6e 1
. 5 . 510 . 1 1 3 VAL HG11 H 9.653 -1.564 -4.922 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c19130_2m6e 1
. 5 . 511 . 1 1 3 VAL HG12 H 10.968 -1.136 -3.824 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c19130_2m6e 1
. 5 . 512 . 1 1 3 VAL HG13 H 10.715 -2.820 -4.285 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c19130_2m6e 1
. 5 . 513 . 1 1 3 VAL HG21 H 9.383 -1.357 -0.860 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c19130_2m6e 1
. 5 . 514 . 1 1 3 VAL HG22 H 10.468 -0.525 -1.974 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c19130_2m6e 1
. 5 . 515 . 1 1 3 VAL HG23 H 8.737 -0.191 -2.015 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c19130_2m6e 1
. 5 . 516 . 1 1 3 VAL N N 6.918 -2.321 -2.218 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c19130_2m6e 1
. 5 . 517 . 1 1 3 VAL O O 8.175 -4.345 -4.139 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c19130_2m6e 1
. 5 . 518 . 1 1 4 . C C 5.361 -3.813 -7.041 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . c19130_2m6e 1
. 5 . 519 . 1 1 4 . CA C 6.793 -3.927 -6.514 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . c19130_2m6e 1
. 5 . 520 . 1 1 4 . CB C 7.861 -3.786 -7.601 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . c19130_2m6e 1
. 5 . 521 . 1 1 4 . CD1 C 7.665 -2.793 -9.911 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . c19130_2m6e 1
. 5 . 522 . 1 1 4 . CD2 C 9.043 -1.622 -8.132 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . c19130_2m6e 1
. 5 . 523 . 1 1 4 . CG C 7.818 -2.493 -8.418 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . c19130_2m6e 1
. 5 . 524 . 1 1 4 . H H 6.597 -2.044 -5.645 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . c19130_2m6e 1
. 5 . 525 . 1 1 4 . HA H 6.918 -4.912 -6.065 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . c19130_2m6e 1
. 5 . 526 . 1 1 4 . HB2 H 7.768 -4.628 -8.286 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . c19130_2m6e 1
. 5 . 527 . 1 1 4 . HB3 H 8.841 -3.863 -7.131 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . c19130_2m6e 1
. 5 . 528 . 1 1 4 . HD11 H 8.052 -3.790 -10.123 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . c19130_2m6e 1
. 5 . 529 . 1 1 4 . HD12 H 8.223 -2.056 -10.489 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . c19130_2m6e 1
. 5 . 530 . 1 1 4 . HD13 H 6.611 -2.747 -10.185 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . c19130_2m6e 1
. 5 . 531 . 1 1 4 . HD21 H 9.358 -1.767 -7.098 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . c19130_2m6e 1
. 5 . 532 . 1 1 4 . HD22 H 8.790 -0.574 -8.291 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . c19130_2m6e 1
. 5 . 533 . 1 1 4 . HD23 H 9.855 -1.906 -8.801 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . c19130_2m6e 1
. 5 . 534 . 1 1 4 . HG H 6.940 -1.924 -8.113 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . c19130_2m6e 1
. 5 . 535 . 1 1 4 . N N 6.999 -2.942 -5.467 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . c19130_2m6e 1
. 5 . 536 . 1 1 4 . O O 5.075 -4.060 -8.213 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . c19130_2m6e 1
. 5 . 537 . 1 1 5 TYR C C 2.895 -2.578 -7.834 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . c19130_2m6e 1
. 5 . 538 . 1 1 5 TYR CA C 3.053 -3.277 -6.487 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . c19130_2m6e 1
. 5 . 539 . 1 1 5 TYR CB C 2.322 -2.485 -5.401 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . c19130_2m6e 1
. 5 . 540 . 1 1 5 TYR CD1 C 0.769 -0.872 -6.568 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . c19130_2m6e 1
. 5 . 541 . 1 1 5 TYR CD2 C -0.189 -2.742 -5.443 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . c19130_2m6e 1
. 5 . 542 . 1 1 5 TYR CE1 C -0.490 -0.447 -6.945 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . c19130_2m6e 1
. 5 . 543 . 1 1 5 TYR CE2 C -1.452 -2.326 -5.817 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . c19130_2m6e 1
. 5 . 544 . 1 1 5 TYR CG C 0.942 -2.025 -5.812 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . c19130_2m6e 1
. 5 . 545 . 1 1 5 TYR CZ C -1.598 -1.178 -6.567 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . c19130_2m6e 1
. 5 . 546 . 1 1 5 TYR H H 4.750 -3.248 -5.223 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . c19130_2m6e 1
. 5 . 547 . 1 1 5 TYR HA H 2.618 -4.264 -6.554 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . c19130_2m6e 1
. 5 . 548 . 1 1 5 TYR HB2 H 2.218 -3.104 -4.523 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . c19130_2m6e 1
. 5 . 549 . 1 1 5 TYR HB3 H 2.904 -1.610 -5.151 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . c19130_2m6e 1
. 5 . 550 . 1 1 5 TYR HD1 H 1.638 -0.302 -6.862 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . c19130_2m6e 1
. 5 . 551 . 1 1 5 TYR HD2 H -0.072 -3.641 -4.855 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . c19130_2m6e 1
. 5 . 552 . 1 1 5 TYR HE1 H -0.605 0.452 -7.532 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . c19130_2m6e 1
. 5 . 553 . 1 1 5 TYR HE2 H -2.320 -2.898 -5.521 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . c19130_2m6e 1
. 5 . 554 . 1 1 5 TYR HH H -2.925 0.191 -6.817 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . c19130_2m6e 1
. 5 . 555 . 1 1 5 TYR N N 4.461 -3.430 -6.142 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . c19130_2m6e 1
. 5 . 556 . 1 1 5 TYR O O 3.590 -1.611 -8.146 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . c19130_2m6e 1
. 5 . 557 . 1 1 5 TYR OH O -2.854 -0.759 -6.940 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . c19130_2m6e 1
. 5 . 558 . 1 1 6 PRO C C 1.922 -5.530 -8.250 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19130_2m6e 1
. 5 . 559 . 1 1 6 PRO CA C 1.126 -4.230 -8.294 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19130_2m6e 1
. 5 . 560 . 1 1 6 PRO CB C 0.084 -4.279 -9.414 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19130_2m6e 1
. 5 . 561 . 1 1 6 PRO CD C 1.640 -2.559 -9.994 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19130_2m6e 1
. 5 . 562 . 1 1 6 PRO CG C 0.745 -3.619 -10.575 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19130_2m6e 1
. 5 . 563 . 1 1 6 PRO HA H 0.630 -4.081 -7.345 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19130_2m6e 1
. 5 . 564 . 1 1 6 PRO HB2 H -0.166 -5.307 -9.633 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19130_2m6e 1
. 5 . 565 . 1 1 6 PRO HB3 H -0.803 -3.744 -9.109 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19130_2m6e 1
. 5 . 566 . 1 1 6 PRO HD2 H 2.535 -2.454 -10.589 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19130_2m6e 1
. 5 . 567 . 1 1 6 PRO HD3 H 1.116 -1.617 -9.928 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19130_2m6e 1
. 5 . 568 . 1 1 6 PRO HG2 H 1.328 -4.342 -11.125 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19130_2m6e 1
. 5 . 569 . 1 1 6 PRO HG3 H 0.000 -3.170 -11.215 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19130_2m6e 1
. 5 . 570 . 1 1 6 PRO N N 1.958 -3.079 -8.653 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19130_2m6e 1
. 5 . 571 . 1 1 6 PRO O O 1.553 -6.471 -7.547 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19130_2m6e 1
. 5 . 572 . 1 1 7 TRP C C 4.786 -6.816 -7.838 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c19130_2m6e 1
. 5 . 573 . 1 1 7 TRP CA C 3.862 -6.760 -9.050 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c19130_2m6e 1
. 5 . 574 . 1 1 7 TRP CB C 4.688 -6.772 -10.337 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c19130_2m6e 1
. 5 . 575 . 1 1 7 TRP CD1 C 4.184 -5.577 -12.548 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c19130_2m6e 1
. 5 . 576 . 1 1 7 TRP CD2 C 2.633 -7.073 -11.935 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c19130_2m6e 1
. 5 . 577 . 1 1 7 TRP CE2 C 2.240 -6.492 -13.157 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c19130_2m6e 1
. 5 . 578 . 1 1 7 TRP CE3 C 1.813 -8.044 -11.356 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c19130_2m6e 1
. 5 . 579 . 1 1 7 TRP CG C 3.880 -6.474 -11.564 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c19130_2m6e 1
. 5 . 580 . 1 1 7 TRP CH2 C 0.277 -7.804 -13.216 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c19130_2m6e 1
. 5 . 581 . 1 1 7 TRP CZ2 C 1.062 -6.851 -13.806 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c19130_2m6e 1
. 5 . 582 . 1 1 7 TRP CZ3 C 0.643 -8.399 -12.001 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c19130_2m6e 1
. 5 . 583 . 1 1 7 TRP H H 3.256 -4.792 -9.543 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c19130_2m6e 1
. 5 . 584 . 1 1 7 TRP HA H 3.219 -7.628 -9.038 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c19130_2m6e 1
. 5 . 585 . 1 1 7 TRP HB2 H 5.468 -6.029 -10.264 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c19130_2m6e 1
. 5 . 586 . 1 1 7 TRP HB3 H 5.135 -7.748 -10.461 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c19130_2m6e 1
. 5 . 587 . 1 1 7 TRP HD1 H 5.070 -4.960 -12.556 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c19130_2m6e 1
. 5 . 588 . 1 1 7 TRP HE1 H 3.193 -5.026 -14.316 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c19130_2m6e 1
. 5 . 589 . 1 1 7 TRP HE3 H 2.078 -8.514 -10.420 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c19130_2m6e 1
. 5 . 590 . 1 1 7 TRP HH2 H -0.645 -8.112 -13.685 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c19130_2m6e 1
. 5 . 591 . 1 1 7 TRP HZ2 H 0.766 -6.402 -14.743 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c19130_2m6e 1
. 5 . 592 . 1 1 7 TRP HZ3 H -0.004 -9.147 -11.568 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c19130_2m6e 1
. 5 . 593 . 1 1 7 TRP N N 3.014 -5.575 -9.004 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c19130_2m6e 1
. 5 . 594 . 1 1 7 TRP NE1 N 3.202 -5.583 -13.509 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c19130_2m6e 1
. 5 . 595 . 1 1 7 TRP O O 5.983 -6.548 -7.945 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c19130_2m6e 1
. 5 . 596 . 1 1 8 CYS C C 5.768 -8.572 -5.391 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19130_2m6e 1
. 5 . 597 . 1 1 8 CYS CA C 4.997 -7.257 -5.454 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19130_2m6e 1
. 5 . 598 . 1 1 8 CYS CB C 4.075 -7.135 -4.239 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19130_2m6e 1
. 5 . 599 . 1 1 8 CYS H H 3.264 -7.368 -6.664 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19130_2m6e 1
. 5 . 600 . 1 1 8 CYS HA H 5.702 -6.440 -5.443 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19130_2m6e 1
. 5 . 601 . 1 1 8 CYS HB2 H 3.103 -7.533 -4.492 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19130_2m6e 1
. 5 . 602 . 1 1 8 CYS HB3 H 4.491 -7.707 -3.422 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19130_2m6e 1
. 5 . 603 . 1 1 8 CYS N N 4.224 -7.166 -6.686 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19130_2m6e 1
. 5 . 604 . 1 1 8 CYS O O 6.430 -8.961 -6.354 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19130_2m6e 1
. 5 . 605 . 1 1 8 CYS SG S 3.837 -5.426 -3.655 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19130_2m6e 1
. 6 . 606 . 1 1 1 GLY C C 3.445 -0.634 -1.057 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19130_2m6e 1
. 6 . 607 . 1 1 1 GLY CA C 2.069 -0.015 -1.202 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19130_2m6e 1
. 6 . 608 . 1 1 1 GLY H1 H 1.572 0.711 0.724 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19130_2m6e 1
. 6 . 609 . 1 1 1 GLY HA2 H 1.498 -0.594 -1.912 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19130_2m6e 1
. 6 . 610 . 1 1 1 GLY HA3 H 2.178 0.992 -1.578 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19130_2m6e 1
. 6 . 611 . 1 1 1 GLY N N 1.346 0.031 0.056 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19130_2m6e 1
. 6 . 612 . 1 1 1 GLY O O 4.419 0.060 -0.762 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19130_2m6e 1
. 6 . 613 . 1 1 2 CYS C C 5.630 -2.482 -2.416 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19130_2m6e 1
. 6 . 614 . 1 1 2 CYS CA C 4.793 -2.659 -1.152 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19130_2m6e 1
. 6 . 615 . 1 1 2 CYS CB C 4.543 -4.146 -0.896 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19130_2m6e 1
. 6 . 616 . 1 1 2 CYS H H 2.716 -2.444 -1.496 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19130_2m6e 1
. 6 . 617 . 1 1 2 CYS HA H 5.335 -2.245 -0.315 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19130_2m6e 1
. 6 . 618 . 1 1 2 CYS HB2 H 5.492 -4.649 -0.786 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19130_2m6e 1
. 6 . 619 . 1 1 2 CYS HB3 H 3.974 -4.256 0.015 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19130_2m6e 1
. 6 . 620 . 1 1 2 CYS N N 3.527 -1.944 -1.263 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19130_2m6e 1
. 6 . 621 . 1 1 2 CYS O O 5.109 -2.529 -3.530 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19130_2m6e 1
. 6 . 622 . 1 1 2 CYS SG S 3.625 -4.985 -2.228 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19130_2m6e 1
. 6 . 623 . 1 1 3 VAL C C 7.686 -3.220 -4.378 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c19130_2m6e 1
. 6 . 624 . 1 1 3 VAL CA C 7.841 -2.097 -3.358 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c19130_2m6e 1
. 6 . 625 . 1 1 3 VAL CB C 9.307 -2.042 -2.890 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c19130_2m6e 1
. 6 . 626 . 1 1 3 VAL CG1 C 10.238 -1.826 -4.074 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c19130_2m6e 1
. 6 . 627 . 1 1 3 VAL CG2 C 9.493 -0.948 -1.849 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c19130_2m6e 1
. 6 . 628 . 1 1 3 VAL H H 7.287 -2.251 -1.321 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c19130_2m6e 1
. 6 . 629 . 1 1 3 VAL HA H 7.601 -1.157 -3.833 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c19130_2m6e 1
. 6 . 630 . 1 1 3 VAL HB H 9.555 -2.989 -2.435 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c19130_2m6e 1
. 6 . 631 . 1 1 3 VAL HG11 H 10.297 -2.735 -4.655 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c19130_2m6e 1
. 6 . 632 . 1 1 3 VAL HG12 H 9.856 -1.026 -4.692 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c19130_2m6e 1
. 6 . 633 . 1 1 3 VAL HG13 H 11.223 -1.565 -3.715 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c19130_2m6e 1
. 6 . 634 . 1 1 3 VAL HG21 H 9.456 -1.382 -0.862 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c19130_2m6e 1
. 6 . 635 . 1 1 3 VAL HG22 H 10.451 -0.470 -1.996 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c19130_2m6e 1
. 6 . 636 . 1 1 3 VAL HG23 H 8.706 -0.216 -1.951 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c19130_2m6e 1
. 6 . 637 . 1 1 3 VAL N N 6.931 -2.279 -2.234 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c19130_2m6e 1
. 6 . 638 . 1 1 3 VAL O O 8.182 -4.320 -4.142 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c19130_2m6e 1
. 6 . 639 . 1 1 4 . C C 5.369 -3.795 -7.047 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . c19130_2m6e 1
. 6 . 640 . 1 1 4 . CA C 6.800 -3.912 -6.519 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . c19130_2m6e 1
. 6 . 641 . 1 1 4 . CB C 7.869 -3.783 -7.606 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . c19130_2m6e 1
. 6 . 642 . 1 1 4 . CD1 C 7.280 -2.555 -9.728 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . c19130_2m6e 1
. 6 . 643 . 1 1 4 . CD2 C 9.349 -1.907 -8.412 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . c19130_2m6e 1
. 6 . 644 . 1 1 4 . CG C 7.918 -2.443 -8.342 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . c19130_2m6e 1
. 6 . 645 . 1 1 4 . H H 6.610 -2.023 -5.662 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . c19130_2m6e 1
. 6 . 646 . 1 1 4 . HA H 6.921 -4.895 -6.064 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . c19130_2m6e 1
. 6 . 647 . 1 1 4 . HB2 H 7.711 -4.573 -8.340 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . c19130_2m6e 1
. 6 . 648 . 1 1 4 . HB3 H 8.844 -3.961 -7.151 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . c19130_2m6e 1
. 6 . 649 . 1 1 4 . HD11 H 8.036 -2.371 -10.492 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . c19130_2m6e 1
. 6 . 650 . 1 1 4 . HD12 H 6.482 -1.819 -9.822 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . c19130_2m6e 1
. 6 . 651 . 1 1 4 . HD13 H 6.869 -3.556 -9.859 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . c19130_2m6e 1
. 6 . 652 . 1 1 4 . HD21 H 9.327 -0.834 -8.606 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . c19130_2m6e 1
. 6 . 653 . 1 1 4 . HD22 H 9.887 -2.410 -9.215 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . c19130_2m6e 1
. 6 . 654 . 1 1 4 . HD23 H 9.854 -2.094 -7.464 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . c19130_2m6e 1
. 6 . 655 . 1 1 4 . HG H 7.331 -1.720 -7.776 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . c19130_2m6e 1
. 6 . 656 . 1 1 4 . N N 7.010 -2.921 -5.478 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . c19130_2m6e 1
. 6 . 657 . 1 1 4 . O O 5.083 -4.047 -8.218 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . c19130_2m6e 1
. 6 . 658 . 1 1 5 TYR C C 2.909 -2.556 -7.849 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . c19130_2m6e 1
. 6 . 659 . 1 1 5 TYR CA C 3.062 -3.248 -6.499 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . c19130_2m6e 1
. 6 . 660 . 1 1 5 TYR CB C 2.335 -2.448 -5.417 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . c19130_2m6e 1
. 6 . 661 . 1 1 5 TYR CD1 C 0.785 -0.838 -6.594 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . c19130_2m6e 1
. 6 . 662 . 1 1 5 TYR CD2 C -0.178 -2.699 -5.458 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . c19130_2m6e 1
. 6 . 663 . 1 1 5 TYR CE1 C -0.473 -0.413 -6.973 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . c19130_2m6e 1
. 6 . 664 . 1 1 5 TYR CE2 C -1.440 -2.282 -5.834 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . c19130_2m6e 1
. 6 . 665 . 1 1 5 TYR CG C 0.955 -1.986 -5.830 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . c19130_2m6e 1
. 6 . 666 . 1 1 5 TYR CZ C -1.583 -1.138 -6.591 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . c19130_2m6e 1
. 6 . 667 . 1 1 5 TYR H H 4.759 -3.219 -5.233 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . c19130_2m6e 1
. 6 . 668 . 1 1 5 TYR HA H 2.624 -4.233 -6.560 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . c19130_2m6e 1
. 6 . 669 . 1 1 5 TYR HB2 H 2.228 -3.061 -4.536 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . c19130_2m6e 1
. 6 . 670 . 1 1 5 TYR HB3 H 2.918 -1.572 -5.172 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . c19130_2m6e 1
. 6 . 671 . 1 1 5 TYR HD1 H 1.656 -0.273 -6.892 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . c19130_2m6e 1
. 6 . 672 . 1 1 5 TYR HD2 H -0.063 -3.595 -4.865 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . c19130_2m6e 1
. 6 . 673 . 1 1 5 TYR HE1 H -0.585 0.483 -7.567 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . c19130_2m6e 1
. 6 . 674 . 1 1 5 TYR HE2 H -2.309 -2.849 -5.534 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . c19130_2m6e 1
. 6 . 675 . 1 1 5 TYR HH H -2.938 -0.822 -7.917 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . c19130_2m6e 1
. 6 . 676 . 1 1 5 TYR N N 4.470 -3.405 -6.151 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . c19130_2m6e 1
. 6 . 677 . 1 1 5 TYR O O 3.608 -1.592 -8.165 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . c19130_2m6e 1
. 6 . 678 . 1 1 5 TYR OH O -2.838 -0.718 -6.968 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . c19130_2m6e 1
. 6 . 679 . 1 1 6 PRO C C 1.925 -5.506 -8.250 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19130_2m6e 1
. 6 . 680 . 1 1 6 PRO CA C 1.134 -4.204 -8.302 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19130_2m6e 1
. 6 . 681 . 1 1 6 PRO CB C 0.093 -4.254 -9.423 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19130_2m6e 1
. 6 . 682 . 1 1 6 PRO CD C 1.656 -2.544 -10.011 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19130_2m6e 1
. 6 . 683 . 1 1 6 PRO CG C 0.758 -3.603 -10.586 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19130_2m6e 1
. 6 . 684 . 1 1 6 PRO HA H 0.638 -4.047 -7.355 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19130_2m6e 1
. 6 . 685 . 1 1 6 PRO HB2 H -0.160 -5.283 -9.636 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19130_2m6e 1
. 6 . 686 . 1 1 6 PRO HB3 H -0.792 -3.715 -9.122 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19130_2m6e 1
. 6 . 687 . 1 1 6 PRO HD2 H 2.552 -2.445 -10.605 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19130_2m6e 1
. 6 . 688 . 1 1 6 PRO HD3 H 1.135 -1.599 -9.949 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19130_2m6e 1
. 6 . 689 . 1 1 6 PRO HG2 H 1.338 -4.331 -11.132 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19130_2m6e 1
. 6 . 690 . 1 1 6 PRO HG3 H 0.015 -3.155 -11.230 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19130_2m6e 1
. 6 . 691 . 1 1 6 PRO N N 1.971 -3.057 -8.667 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19130_2m6e 1
. 6 . 692 . 1 1 6 PRO O O 1.552 -6.442 -7.542 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19130_2m6e 1
. 6 . 693 . 1 1 7 TRP C C 4.784 -6.801 -7.830 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c19130_2m6e 1
. 6 . 694 . 1 1 7 TRP CA C 3.862 -6.748 -9.043 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c19130_2m6e 1
. 6 . 695 . 1 1 7 TRP CB C 4.688 -6.769 -10.329 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c19130_2m6e 1
. 6 . 696 . 1 1 7 TRP CD1 C 4.190 -5.585 -12.547 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c19130_2m6e 1
. 6 . 697 . 1 1 7 TRP CD2 C 2.633 -7.071 -11.927 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c19130_2m6e 1
. 6 . 698 . 1 1 7 TRP CE2 C 2.243 -6.495 -13.152 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c19130_2m6e 1
. 6 . 699 . 1 1 7 TRP CE3 C 1.809 -8.036 -11.343 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c19130_2m6e 1
. 6 . 700 . 1 1 7 TRP CG C 3.882 -6.475 -11.558 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c19130_2m6e 1
. 6 . 701 . 1 1 7 TRP CH2 C 0.275 -7.801 -13.205 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c19130_2m6e 1
. 6 . 702 . 1 1 7 TRP CZ2 C 1.064 -6.854 -13.800 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c19130_2m6e 1
. 6 . 703 . 1 1 7 TRP CZ3 C 0.638 -8.390 -11.987 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c19130_2m6e 1
. 6 . 704 . 1 1 7 TRP H H 3.263 -4.780 -9.546 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c19130_2m6e 1
. 6 . 705 . 1 1 7 TRP HA H 3.215 -7.613 -9.026 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c19130_2m6e 1
. 6 . 706 . 1 1 7 TRP HB2 H 5.471 -6.029 -10.259 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c19130_2m6e 1
. 6 . 707 . 1 1 7 TRP HB3 H 5.132 -7.748 -10.447 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c19130_2m6e 1
. 6 . 708 . 1 1 7 TRP HD1 H 5.078 -4.971 -12.557 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c19130_2m6e 1
. 6 . 709 . 1 1 7 TRP HE1 H 3.202 -5.040 -14.319 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c19130_2m6e 1
. 6 . 710 . 1 1 7 TRP HE3 H 2.072 -8.502 -10.405 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c19130_2m6e 1
. 6 . 711 . 1 1 7 TRP HH2 H -0.648 -8.108 -13.673 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c19130_2m6e 1
. 6 . 712 . 1 1 7 TRP HZ2 H 0.770 -6.409 -14.740 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c19130_2m6e 1
. 6 . 713 . 1 1 7 TRP HZ3 H -0.012 -9.134 -11.551 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c19130_2m6e 1
. 6 . 714 . 1 1 7 TRP N N 3.017 -5.559 -9.003 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c19130_2m6e 1
. 6 . 715 . 1 1 7 TRP NE1 N 3.209 -5.592 -13.508 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c19130_2m6e 1
. 6 . 716 . 1 1 7 TRP O O 5.982 -6.537 -7.937 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c19130_2m6e 1
. 6 . 717 . 1 1 8 CYS C C 5.759 -8.547 -5.373 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19130_2m6e 1
. 6 . 718 . 1 1 8 CYS CA C 4.992 -7.230 -5.443 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19130_2m6e 1
. 6 . 719 . 1 1 8 CYS CB C 4.070 -7.099 -4.229 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19130_2m6e 1
. 6 . 720 . 1 1 8 CYS H H 3.260 -7.342 -6.654 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19130_2m6e 1
. 6 . 721 . 1 1 8 CYS HA H 5.700 -6.415 -5.436 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19130_2m6e 1
. 6 . 722 . 1 1 8 CYS HB2 H 3.097 -7.495 -4.482 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19130_2m6e 1
. 6 . 723 . 1 1 8 CYS HB3 H 4.483 -7.668 -3.410 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19130_2m6e 1
. 6 . 724 . 1 1 8 CYS N N 4.220 -7.143 -6.677 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19130_2m6e 1
. 6 . 725 . 1 1 8 CYS O O 5.377 -9.533 -6.004 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19130_2m6e 1
. 6 . 726 . 1 1 8 CYS SG S 3.836 -5.386 -3.655 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19130_2m6e 1
. 7 . 727 . 1 1 1 GLY C C 3.406 -0.679 -1.033 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19130_2m6e 1
. 7 . 728 . 1 1 1 GLY CA C 2.029 -0.064 -1.185 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19130_2m6e 1
. 7 . 729 . 1 1 1 GLY H1 H 2.758 1.774 -0.428 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19130_2m6e 1
. 7 . 730 . 1 1 1 GLY HA2 H 1.304 -0.709 -0.711 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19130_2m6e 1
. 7 . 731 . 1 1 1 GLY HA3 H 1.795 0.012 -2.237 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19130_2m6e 1
. 7 . 732 . 1 1 1 GLY N N 1.942 1.256 -0.589 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19130_2m6e 1
. 7 . 733 . 1 1 1 GLY O O 4.375 0.018 -0.731 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19130_2m6e 1
. 7 . 734 . 1 1 2 CYS C C 5.606 -2.515 -2.383 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19130_2m6e 1
. 7 . 735 . 1 1 2 CYS CA C 4.763 -2.698 -1.125 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19130_2m6e 1
. 7 . 736 . 1 1 2 CYS CB C 4.516 -4.187 -0.874 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19130_2m6e 1
. 7 . 737 . 1 1 2 CYS H H 2.686 -2.490 -1.480 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19130_2m6e 1
. 7 . 738 . 1 1 2 CYS HA H 5.298 -2.284 -0.284 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19130_2m6e 1
. 7 . 739 . 1 1 2 CYS HB2 H 5.467 -4.688 -0.770 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19130_2m6e 1
. 7 . 740 . 1 1 2 CYS HB3 H 3.952 -4.302 0.039 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19130_2m6e 1
. 7 . 741 . 1 1 2 CYS N N 3.494 -1.988 -1.242 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19130_2m6e 1
. 7 . 742 . 1 1 2 CYS O O 5.091 -2.555 -3.500 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19130_2m6e 1
. 7 . 743 . 1 1 2 CYS SG S 3.595 -5.022 -2.205 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19130_2m6e 1
. 7 . 744 . 1 1 3 VAL C C 7.671 -3.244 -4.339 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c19130_2m6e 1
. 7 . 745 . 1 1 3 VAL CA C 7.823 -2.127 -3.312 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c19130_2m6e 1
. 7 . 746 . 1 1 3 VAL CB C 9.287 -2.078 -2.836 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c19130_2m6e 1
. 7 . 747 . 1 1 3 VAL CG1 C 10.217 -1.782 -4.002 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c19130_2m6e 1
. 7 . 748 . 1 1 3 VAL CG2 C 9.454 -1.043 -1.734 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c19130_2m6e 1
. 7 . 749 . 1 1 3 VAL H H 7.258 -2.294 -1.279 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c19130_2m6e 1
. 7 . 750 . 1 1 3 VAL HA H 7.587 -1.184 -3.782 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c19130_2m6e 1
. 7 . 751 . 1 1 3 VAL HB H 9.546 -3.047 -2.435 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c19130_2m6e 1
. 7 . 752 . 1 1 3 VAL HG11 H 10.651 -0.800 -3.876 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c19130_2m6e 1
. 7 . 753 . 1 1 3 VAL HG12 H 11.003 -2.522 -4.033 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c19130_2m6e 1
. 7 . 754 . 1 1 3 VAL HG13 H 9.658 -1.811 -4.926 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c19130_2m6e 1
. 7 . 755 . 1 1 3 VAL HG21 H 8.993 -1.407 -0.827 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c19130_2m6e 1
. 7 . 756 . 1 1 3 VAL HG22 H 10.506 -0.870 -1.558 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c19130_2m6e 1
. 7 . 757 . 1 1 3 VAL HG23 H 8.982 -0.119 -2.032 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c19130_2m6e 1
. 7 . 758 . 1 1 3 VAL N N 6.907 -2.315 -2.193 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c19130_2m6e 1
. 7 . 759 . 1 1 3 VAL O O 8.163 -4.347 -4.107 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c19130_2m6e 1
. 7 . 760 . 1 1 4 . C C 5.367 -3.797 -7.025 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . c19130_2m6e 1
. 7 . 761 . 1 1 4 . CA C 6.795 -3.921 -6.489 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . c19130_2m6e 1
. 7 . 762 . 1 1 4 . CB C 7.870 -3.788 -7.569 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . c19130_2m6e 1
. 7 . 763 . 1 1 4 . CD1 C 7.745 -3.085 -9.988 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . c19130_2m6e 1
. 7 . 764 . 1 1 4 . CD2 C 8.756 -1.529 -8.258 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . c19130_2m6e 1
. 7 . 765 . 1 1 4 . CG C 7.710 -2.611 -8.534 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . c19130_2m6e 1
. 7 . 766 . 1 1 4 . H H 6.604 -2.037 -5.621 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . c19130_2m6e 1
. 7 . 767 . 1 1 4 . HA H 6.911 -4.907 -6.039 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . c19130_2m6e 1
. 7 . 768 . 1 1 4 . HB2 H 7.889 -4.709 -8.151 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . c19130_2m6e 1
. 7 . 769 . 1 1 4 . HB3 H 8.840 -3.700 -7.079 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . c19130_2m6e 1
. 7 . 770 . 1 1 4 . HD11 H 7.149 -2.413 -10.604 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . c19130_2m6e 1
. 7 . 771 . 1 1 4 . HD12 H 7.336 -4.094 -10.051 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . c19130_2m6e 1
. 7 . 772 . 1 1 4 . HD13 H 8.775 -3.088 -10.344 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . c19130_2m6e 1
. 7 . 773 . 1 1 4 . HD21 H 9.742 -1.897 -8.541 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . c19130_2m6e 1
. 7 . 774 . 1 1 4 . HD22 H 8.751 -1.281 -7.197 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . c19130_2m6e 1
. 7 . 775 . 1 1 4 . HD23 H 8.519 -0.638 -8.841 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . c19130_2m6e 1
. 7 . 776 . 1 1 4 . HG H 6.731 -2.162 -8.365 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . c19130_2m6e 1
. 7 . 777 . 1 1 4 . N N 7.001 -2.937 -5.441 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . c19130_2m6e 1
. 7 . 778 . 1 1 4 . O O 5.086 -4.043 -8.198 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . c19130_2m6e 1
. 7 . 779 . 1 1 5 TYR C C 2.915 -2.546 -7.835 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . c19130_2m6e 1
. 7 . 780 . 1 1 5 TYR CA C 3.059 -3.245 -6.487 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . c19130_2m6e 1
. 7 . 781 . 1 1 5 TYR CB C 2.328 -2.446 -5.406 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . c19130_2m6e 1
. 7 . 782 . 1 1 5 TYR CD1 C 0.791 -0.826 -6.585 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . c19130_2m6e 1
. 7 . 783 . 1 1 5 TYR CD2 C -0.185 -2.688 -5.462 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . c19130_2m6e 1
. 7 . 784 . 1 1 5 TYR CE1 C -0.463 -0.394 -6.970 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . c19130_2m6e 1
. 7 . 785 . 1 1 5 TYR CE2 C -1.443 -2.264 -5.844 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . c19130_2m6e 1
. 7 . 786 . 1 1 5 TYR CG C 0.953 -1.978 -5.825 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . c19130_2m6e 1
. 7 . 787 . 1 1 5 TYR CZ C -1.577 -1.117 -6.597 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . c19130_2m6e 1
. 7 . 788 . 1 1 5 TYR H H 4.748 -3.226 -5.212 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . c19130_2m6e 1
. 7 . 789 . 1 1 5 TYR HA H 2.618 -4.228 -6.554 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . c19130_2m6e 1
. 7 . 790 . 1 1 5 TYR HB2 H 2.214 -3.063 -4.528 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . c19130_2m6e 1
. 7 . 791 . 1 1 5 TYR HB3 H 2.913 -1.574 -5.154 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . c19130_2m6e 1
. 7 . 792 . 1 1 5 TYR HD1 H 1.666 -0.263 -6.876 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . c19130_2m6e 1
. 7 . 793 . 1 1 5 TYR HD2 H -0.077 -3.587 -4.872 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . c19130_2m6e 1
. 7 . 794 . 1 1 5 TYR HE1 H -0.568 0.504 -7.560 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . c19130_2m6e 1
. 7 . 795 . 1 1 5 TYR HE2 H -2.316 -2.830 -5.552 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . c19130_2m6e 1
. 7 . 796 . 1 1 5 TYR HH H -3.363 -1.449 -7.226 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . c19130_2m6e 1
. 7 . 797 . 1 1 5 TYR N N 4.464 -3.408 -6.132 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . c19130_2m6e 1
. 7 . 798 . 1 1 5 TYR O O 3.619 -1.584 -8.144 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . c19130_2m6e 1
. 7 . 799 . 1 1 5 TYR OH O -2.829 -0.691 -6.979 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . c19130_2m6e 1
. 7 . 800 . 1 1 6 PRO C C 1.924 -5.492 -8.253 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19130_2m6e 1
. 7 . 801 . 1 1 6 PRO CA C 1.137 -4.187 -8.304 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19130_2m6e 1
. 7 . 802 . 1 1 6 PRO CB C 0.102 -4.229 -9.431 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19130_2m6e 1
. 7 . 803 . 1 1 6 PRO CD C 1.674 -2.522 -10.003 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19130_2m6e 1
. 7 . 804 . 1 1 6 PRO CG C 0.776 -3.576 -10.588 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19130_2m6e 1
. 7 . 805 . 1 1 6 PRO HA H 0.637 -4.032 -7.359 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19130_2m6e 1
. 7 . 806 . 1 1 6 PRO HB2 H -0.153 -5.257 -9.650 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19130_2m6e 1
. 7 . 807 . 1 1 6 PRO HB3 H -0.783 -3.688 -9.133 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19130_2m6e 1
. 7 . 808 . 1 1 6 PRO HD2 H 2.574 -2.423 -10.593 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19130_2m6e 1
. 7 . 809 . 1 1 6 PRO HD3 H 1.156 -1.576 -9.941 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19130_2m6e 1
. 7 . 810 . 1 1 6 PRO HG2 H 1.357 -4.304 -11.134 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19130_2m6e 1
. 7 . 811 . 1 1 6 PRO HG3 H 0.038 -3.123 -11.234 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19130_2m6e 1
. 7 . 812 . 1 1 6 PRO N N 1.980 -3.041 -8.660 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19130_2m6e 1
. 7 . 813 . 1 1 6 PRO O O 1.544 -6.429 -7.551 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19130_2m6e 1
. 7 . 814 . 1 1 7 TRP C C 4.777 -6.797 -7.823 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c19130_2m6e 1
. 7 . 815 . 1 1 7 TRP CA C 3.861 -6.737 -9.040 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c19130_2m6e 1
. 7 . 816 . 1 1 7 TRP CB C 4.694 -6.756 -10.322 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c19130_2m6e 1
. 7 . 817 . 1 1 7 TRP CD1 C 4.212 -5.561 -12.538 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c19130_2m6e 1
. 7 . 818 . 1 1 7 TRP CD2 C 2.647 -7.045 -11.932 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c19130_2m6e 1
. 7 . 819 . 1 1 7 TRP CE2 C 2.265 -6.463 -13.157 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c19130_2m6e 1
. 7 . 820 . 1 1 7 TRP CE3 C 1.816 -8.009 -11.357 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c19130_2m6e 1
. 7 . 821 . 1 1 7 TRP CG C 3.896 -6.454 -11.554 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c19130_2m6e 1
. 7 . 822 . 1 1 7 TRP CH2 C 0.294 -7.762 -13.226 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c19130_2m6e 1
. 7 . 823 . 1 1 7 TRP CZ2 C 1.089 -6.815 -13.813 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c19130_2m6e 1
. 7 . 824 . 1 1 7 TRP CZ3 C 0.648 -8.357 -12.009 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c19130_2m6e 1
. 7 . 825 . 1 1 7 TRP H H 3.271 -4.766 -9.539 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c19130_2m6e 1
. 7 . 826 . 1 1 7 TRP HA H 3.211 -7.600 -9.031 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c19130_2m6e 1
. 7 . 827 . 1 1 7 TRP HB2 H 5.479 -6.019 -10.245 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c19130_2m6e 1
. 7 . 828 . 1 1 7 TRP HB3 H 5.135 -7.735 -10.441 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c19130_2m6e 1
. 7 . 829 . 1 1 7 TRP HD1 H 5.102 -4.950 -12.541 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c19130_2m6e 1
. 7 . 830 . 1 1 7 TRP HE1 H 3.236 -5.006 -14.313 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c19130_2m6e 1
. 7 . 831 . 1 1 7 TRP HE3 H 2.072 -8.480 -10.419 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c19130_2m6e 1
. 7 . 832 . 1 1 7 TRP HH2 H -0.628 -8.064 -13.700 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c19130_2m6e 1
. 7 . 833 . 1 1 7 TRP HZ2 H 0.801 -6.365 -14.752 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c19130_2m6e 1
. 7 . 834 . 1 1 7 TRP HZ3 H -0.007 -9.100 -11.579 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c19130_2m6e 1
. 7 . 835 . 1 1 7 TRP N N 3.020 -5.546 -9.001 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c19130_2m6e 1
. 7 . 836 . 1 1 7 TRP NE1 N 3.236 -5.561 -13.505 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c19130_2m6e 1
. 7 . 837 . 1 1 7 TRP O O 5.976 -6.537 -7.922 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c19130_2m6e 1
. 7 . 838 . 1 1 8 CYS C C 5.732 -8.557 -5.367 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19130_2m6e 1
. 7 . 839 . 1 1 8 CYS CA C 4.970 -7.237 -5.436 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19130_2m6e 1
. 7 . 840 . 1 1 8 CYS CB C 4.042 -7.107 -4.227 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19130_2m6e 1
. 7 . 841 . 1 1 8 CYS H H 3.244 -7.338 -6.657 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19130_2m6e 1
. 7 . 842 . 1 1 8 CYS HA H 5.681 -6.424 -5.422 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19130_2m6e 1
. 7 . 843 . 1 1 8 CYS HB2 H 3.069 -7.499 -4.486 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19130_2m6e 1
. 7 . 844 . 1 1 8 CYS HB3 H 4.449 -7.681 -3.408 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19130_2m6e 1
. 7 . 845 . 1 1 8 CYS N N 4.205 -7.142 -6.674 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19130_2m6e 1
. 7 . 846 . 1 1 8 CYS O O 6.168 -9.087 -6.389 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19130_2m6e 1
. 7 . 847 . 1 1 8 CYS SG S 3.811 -5.396 -3.647 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19130_2m6e 1
. 8 . 848 . 1 1 1 GLY C C 3.532 -0.865 -0.878 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19130_2m6e 1
. 8 . 849 . 1 1 1 GLY CA C 2.147 -0.250 -0.939 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19130_2m6e 1
. 8 . 850 . 1 1 1 GLY H1 H 0.482 -0.232 0.369 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19130_2m6e 1
. 8 . 851 . 1 1 1 GLY HA2 H 1.561 -0.780 -1.675 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19130_2m6e 1
. 8 . 852 . 1 1 1 GLY HA3 H 2.238 0.783 -1.241 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19130_2m6e 1
. 8 . 853 . 1 1 1 GLY N N 1.459 -0.305 0.338 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19130_2m6e 1
. 8 . 854 . 1 1 1 GLY O O 4.508 -0.184 -0.562 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19130_2m6e 1
. 8 . 855 . 1 1 2 CYS C C 5.690 -2.589 -2.428 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19130_2m6e 1
. 8 . 856 . 1 1 2 CYS CA C 4.892 -2.864 -1.157 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19130_2m6e 1
. 8 . 857 . 1 1 2 CYS CB C 4.660 -4.368 -1.002 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19130_2m6e 1
. 8 . 858 . 1 1 2 CYS H H 2.803 -2.645 -1.425 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19130_2m6e 1
. 8 . 859 . 1 1 2 CYS HA H 5.455 -2.506 -0.309 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19130_2m6e 1
. 8 . 860 . 1 1 2 CYS HB2 H 5.614 -4.861 -0.880 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19130_2m6e 1
. 8 . 861 . 1 1 2 CYS HB3 H 4.055 -4.543 -0.125 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19130_2m6e 1
. 8 . 862 . 1 1 2 CYS N N 3.618 -2.156 -1.180 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19130_2m6e 1
. 8 . 863 . 1 1 2 CYS O O 5.137 -2.563 -3.528 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19130_2m6e 1
. 8 . 864 . 1 1 2 CYS SG S 3.818 -5.141 -2.421 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19130_2m6e 1
. 8 . 865 . 1 1 3 VAL C C 7.695 -3.163 -4.495 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c19130_2m6e 1
. 8 . 866 . 1 1 3 VAL CA C 7.869 -2.113 -3.403 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c19130_2m6e 1
. 8 . 867 . 1 1 3 VAL CB C 9.348 -2.075 -2.974 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c19130_2m6e 1
. 8 . 868 . 1 1 3 VAL CG1 C 10.238 -1.724 -4.156 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c19130_2m6e 1
. 8 . 869 . 1 1 3 VAL CG2 C 9.546 -1.088 -1.834 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c19130_2m6e 1
. 8 . 870 . 1 1 3 VAL H H 7.376 -2.418 -1.368 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c19130_2m6e 1
. 8 . 871 . 1 1 3 VAL HA H 7.607 -1.145 -3.803 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c19130_2m6e 1
. 8 . 872 . 1 1 3 VAL HB H 9.625 -3.059 -2.623 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c19130_2m6e 1
. 8 . 873 . 1 1 3 VAL HG11 H 10.236 -2.540 -4.864 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c19130_2m6e 1
. 8 . 874 . 1 1 3 VAL HG12 H 9.865 -0.830 -4.635 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c19130_2m6e 1
. 8 . 875 . 1 1 3 VAL HG13 H 11.246 -1.553 -3.809 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c19130_2m6e 1
. 8 . 876 . 1 1 3 VAL HG21 H 10.595 -0.847 -1.746 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c19130_2m6e 1
. 8 . 877 . 1 1 3 VAL HG22 H 8.986 -0.187 -2.037 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c19130_2m6e 1
. 8 . 878 . 1 1 3 VAL HG23 H 9.199 -1.528 -0.912 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c19130_2m6e 1
. 8 . 879 . 1 1 3 VAL N N 6.994 -2.385 -2.269 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c19130_2m6e 1
. 8 . 880 . 1 1 3 VAL O O 8.207 -4.272 -4.352 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c19130_2m6e 1
. 8 . 881 . 1 1 4 . C C 5.307 -3.574 -7.132 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . c19130_2m6e 1
. 8 . 882 . 1 1 4 . CA C 6.754 -3.712 -6.655 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . c19130_2m6e 1
. 8 . 883 . 1 1 4 . CB C 7.789 -3.493 -7.759 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . c19130_2m6e 1
. 8 . 884 . 1 1 4 . CD1 C 7.747 -2.159 -9.899 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . c19130_2m6e 1
. 8 . 885 . 1 1 4 . CD2 C 9.063 -1.321 -7.899 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . c19130_2m6e 1
. 8 . 886 . 1 1 4 . CG C 7.829 -2.092 -8.373 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . c19130_2m6e 1
. 8 . 887 . 1 1 4 . H H 6.572 -1.890 -5.660 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . c19130_2m6e 1
. 8 . 888 . 1 1 4 . HA H 6.897 -4.723 -6.274 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . c19130_2m6e 1
. 8 . 889 . 1 1 4 . HB2 H 7.598 -4.212 -8.556 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . c19130_2m6e 1
. 8 . 890 . 1 1 4 . HB3 H 8.776 -3.720 -7.355 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . c19130_2m6e 1
. 8 . 891 . 1 1 4 . HD11 H 6.967 -2.863 -10.190 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . c19130_2m6e 1
. 8 . 892 . 1 1 4 . HD12 H 8.705 -2.492 -10.300 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . c19130_2m6e 1
. 8 . 893 . 1 1 4 . HD13 H 7.511 -1.171 -10.294 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . c19130_2m6e 1
. 8 . 894 . 1 1 4 . HD21 H 9.301 -1.610 -6.875 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . c19130_2m6e 1
. 8 . 895 . 1 1 4 . HD22 H 8.859 -0.251 -7.936 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . c19130_2m6e 1
. 8 . 896 . 1 1 4 . HD23 H 9.908 -1.553 -8.547 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . c19130_2m6e 1
. 8 . 897 . 1 1 4 . HG H 6.954 -1.542 -8.028 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . c19130_2m6e 1
. 8 . 898 . 1 1 4 . N N 6.985 -2.795 -5.552 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . c19130_2m6e 1
. 8 . 899 . 1 1 4 . O O 4.988 -3.747 -8.309 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . c19130_2m6e 1
. 8 . 900 . 1 1 5 TYR C C 2.813 -2.325 -7.784 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . c19130_2m6e 1
. 8 . 901 . 1 1 5 TYR CA C 3.012 -3.092 -6.480 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . c19130_2m6e 1
. 8 . 902 . 1 1 5 TYR CB C 2.313 -2.360 -5.333 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . c19130_2m6e 1
. 8 . 903 . 1 1 5 TYR CD1 C 0.715 -0.699 -6.364 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . c19130_2m6e 1
. 8 . 904 . 1 1 5 TYR CD2 C -0.197 -2.633 -5.312 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . c19130_2m6e 1
. 8 . 905 . 1 1 5 TYR CE1 C -0.557 -0.264 -6.680 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . c19130_2m6e 1
. 8 . 906 . 1 1 5 TYR CE2 C -1.473 -2.207 -5.624 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . c19130_2m6e 1
. 8 . 907 . 1 1 5 TYR CG C 0.918 -1.889 -5.676 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . c19130_2m6e 1
. 8 . 908 . 1 1 5 TYR CZ C -1.648 -1.022 -6.308 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . c19130_2m6e 1
. 8 . 909 . 1 1 5 TYR H H 4.745 -3.133 -5.265 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . c19130_2m6e 1
. 8 . 910 . 1 1 5 TYR HA H 2.578 -4.076 -6.584 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . c19130_2m6e 1
. 8 . 911 . 1 1 5 TYR HB2 H 2.239 -3.023 -4.484 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . c19130_2m6e 1
. 8 . 912 . 1 1 5 TYR HB3 H 2.898 -1.495 -5.058 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . c19130_2m6e 1
. 8 . 913 . 1 1 5 TYR HD1 H 1.572 -0.108 -6.654 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . c19130_2m6e 1
. 8 . 914 . 1 1 5 TYR HD2 H -0.056 -3.561 -4.776 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . c19130_2m6e 1
. 8 . 915 . 1 1 5 TYR HE1 H -0.695 0.663 -7.215 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . c19130_2m6e 1
. 8 . 916 . 1 1 5 TYR HE2 H -2.328 -2.799 -5.333 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . c19130_2m6e 1
. 8 . 917 . 1 1 5 TYR HH H -2.895 0.342 -6.839 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . c19130_2m6e 1
. 8 . 918 . 1 1 5 TYR N N 4.431 -3.257 -6.185 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . c19130_2m6e 1
. 8 . 919 . 1 1 5 TYR O O 3.494 -1.339 -8.065 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . c19130_2m6e 1
. 8 . 920 . 1 1 5 TYR OH O -2.918 -0.593 -6.620 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . c19130_2m6e 1
. 8 . 921 . 1 1 6 PRO C C 1.841 -5.257 -8.323 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19130_2m6e 1
. 8 . 922 . 1 1 6 PRO CA C 1.038 -3.962 -8.277 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19130_2m6e 1
. 8 . 923 . 1 1 6 PRO CB C -0.036 -3.958 -9.368 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19130_2m6e 1
. 8 . 924 . 1 1 6 PRO CD C 1.496 -2.202 -9.903 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19130_2m6e 1
. 8 . 925 . 1 1 6 PRO CG C 0.589 -3.236 -10.511 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19130_2m6e 1
. 8 . 926 . 1 1 6 PRO HA H 0.570 -3.864 -7.308 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19130_2m6e 1
. 8 . 927 . 1 1 6 PRO HB2 H -0.287 -4.976 -9.632 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19130_2m6e 1
. 8 . 928 . 1 1 6 PRO HB3 H -0.916 -3.446 -9.010 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19130_2m6e 1
. 8 . 929 . 1 1 6 PRO HD2 H 2.373 -2.061 -10.517 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19130_2m6e 1
. 8 . 930 . 1 1 6 PRO HD3 H 0.969 -1.268 -9.772 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19130_2m6e 1
. 8 . 931 . 1 1 6 PRO HG2 H 1.158 -3.926 -11.115 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19130_2m6e 1
. 8 . 932 . 1 1 6 PRO HG3 H -0.177 -2.759 -11.106 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19130_2m6e 1
. 8 . 933 . 1 1 6 PRO N N 1.855 -2.788 -8.600 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19130_2m6e 1
. 8 . 934 . 1 1 6 PRO O O 1.492 -6.238 -7.666 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19130_2m6e 1
. 8 . 935 . 1 1 7 TRP C C 4.719 -6.548 -8.049 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c19130_2m6e 1
. 8 . 936 . 1 1 7 TRP CA C 3.768 -6.430 -9.235 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c19130_2m6e 1
. 8 . 937 . 1 1 7 TRP CB C 4.564 -6.365 -10.539 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c19130_2m6e 1
. 8 . 938 . 1 1 7 TRP CD1 C 4.733 -8.196 -12.324 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c19130_2m6e 1
. 8 . 939 . 1 1 7 TRP CD2 C 2.680 -7.335 -12.080 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c19130_2m6e 1
. 8 . 940 . 1 1 7 TRP CE2 C 2.636 -8.322 -13.083 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c19130_2m6e 1
. 8 . 941 . 1 1 7 TRP CE3 C 1.503 -6.656 -11.751 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c19130_2m6e 1
. 8 . 942 . 1 1 7 TRP CG C 4.030 -7.270 -11.607 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c19130_2m6e 1
. 8 . 943 . 1 1 7 TRP CH2 C 0.326 -7.963 -13.418 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c19130_2m6e 1
. 8 . 944 . 1 1 7 TRP CZ2 C 1.463 -8.644 -13.760 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c19130_2m6e 1
. 8 . 945 . 1 1 7 TRP CZ3 C 0.340 -6.976 -12.424 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c19130_2m6e 1
. 8 . 946 . 1 1 7 TRP H H 3.142 -4.441 -9.603 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c19130_2m6e 1
. 8 . 947 . 1 1 7 TRP HA H 3.129 -7.301 -9.257 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c19130_2m6e 1
. 8 . 948 . 1 1 7 TRP HB2 H 4.542 -5.354 -10.917 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c19130_2m6e 1
. 8 . 949 . 1 1 7 TRP HB3 H 5.588 -6.649 -10.341 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c19130_2m6e 1
. 8 . 950 . 1 1 7 TRP HD1 H 5.788 -8.388 -12.201 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c19130_2m6e 1
. 8 . 951 . 1 1 7 TRP HE1 H 4.170 -9.537 -13.840 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c19130_2m6e 1
. 8 . 952 . 1 1 7 TRP HE3 H 1.494 -5.892 -10.988 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c19130_2m6e 1
. 8 . 953 . 1 1 7 TRP HH2 H -0.606 -8.181 -13.918 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c19130_2m6e 1
. 8 . 954 . 1 1 7 TRP HZ2 H 1.436 -9.403 -14.528 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c19130_2m6e 1
. 8 . 955 . 1 1 7 TRP HZ3 H -0.579 -6.461 -12.184 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c19130_2m6e 1
. 8 . 956 . 1 1 7 TRP N N 2.916 -5.254 -9.103 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c19130_2m6e 1
. 8 . 957 . 1 1 7 TRP NE1 N 3.901 -8.832 -13.214 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c19130_2m6e 1
. 8 . 958 . 1 1 7 TRP O O 5.888 -6.169 -8.138 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c19130_2m6e 1
. 8 . 959 . 1 1 8 CYS C C 5.743 -8.586 -5.749 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19130_2m6e 1
. 8 . 960 . 1 1 8 CYS CA C 5.017 -7.244 -5.736 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19130_2m6e 1
. 8 . 961 . 1 1 8 CYS CB C 4.136 -7.141 -4.490 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19130_2m6e 1
. 8 . 962 . 1 1 8 CYS H H 3.274 -7.360 -6.930 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19130_2m6e 1
. 8 . 963 . 1 1 8 CYS HA H 5.751 -6.452 -5.713 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19130_2m6e 1
. 8 . 964 . 1 1 8 CYS HB2 H 3.144 -7.496 -4.730 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19130_2m6e 1
. 8 . 965 . 1 1 8 CYS HB3 H 4.555 -7.760 -3.710 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19130_2m6e 1
. 8 . 966 . 1 1 8 CYS N N 4.213 -7.076 -6.940 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19130_2m6e 1
. 8 . 967 . 1 1 8 CYS O O 5.152 -9.625 -5.455 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19130_2m6e 1
. 8 . 968 . 1 1 8 CYS SG S 3.974 -5.450 -3.831 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19130_2m6e 1
. 9 . 969 . 1 1 1 GLY C C 3.496 -0.828 -0.882 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19130_2m6e 1
. 9 . 970 . 1 1 1 GLY CA C 2.119 -0.199 -0.957 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19130_2m6e 1
. 9 . 971 . 1 1 1 GLY H1 H 1.874 -0.579 1.112 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19130_2m6e 1
. 9 . 972 . 1 1 1 GLY HA2 H 1.538 -0.718 -1.704 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19130_2m6e 1
. 9 . 973 . 1 1 1 GLY HA3 H 2.224 0.835 -1.251 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19130_2m6e 1
. 9 . 974 . 1 1 1 GLY N N 1.413 -0.256 0.310 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19130_2m6e 1
. 9 . 975 . 1 1 1 GLY O O 4.477 -0.157 -0.560 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19130_2m6e 1
. 9 . 976 . 1 1 2 CYS C C 5.649 -2.583 -2.405 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19130_2m6e 1
. 9 . 977 . 1 1 2 CYS CA C 4.837 -2.843 -1.140 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19130_2m6e 1
. 9 . 978 . 1 1 2 CYS CB C 4.588 -4.345 -0.980 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19130_2m6e 1
. 9 . 979 . 1 1 2 CYS H H 2.753 -2.604 -1.427 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19130_2m6e 1
. 9 . 980 . 1 1 2 CYS HA H 5.397 -2.488 -0.288 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19130_2m6e 1
. 9 . 981 . 1 1 2 CYS HB2 H 5.538 -4.852 -0.895 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19130_2m6e 1
. 9 . 982 . 1 1 2 CYS HB3 H 4.014 -4.513 -0.080 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19130_2m6e 1
. 9 . 983 . 1 1 2 CYS N N 3.571 -2.122 -1.177 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19130_2m6e 1
. 9 . 984 . 1 1 2 CYS O O 5.106 -2.557 -3.510 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19130_2m6e 1
. 9 . 985 . 1 1 2 CYS SG S 3.680 -5.099 -2.367 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19130_2m6e 1
. 9 . 986 . 1 1 3 VAL C C 7.665 -3.187 -4.452 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c19130_2m6e 1
. 9 . 987 . 1 1 3 VAL CA C 7.841 -2.135 -3.364 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c19130_2m6e 1
. 9 . 988 . 1 1 3 VAL CB C 9.316 -2.110 -2.922 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c19130_2m6e 1
. 9 . 989 . 1 1 3 VAL CG1 C 10.221 -1.782 -4.100 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c19130_2m6e 1
. 9 . 990 . 1 1 3 VAL CG2 C 9.517 -1.113 -1.791 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c19130_2m6e 1
. 9 . 991 . 1 1 3 VAL H H 7.327 -2.424 -1.331 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c19130_2m6e 1
. 9 . 992 . 1 1 3 VAL HA H 7.593 -1.165 -3.770 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c19130_2m6e 1
. 9 . 993 . 1 1 3 VAL HB H 9.578 -3.093 -2.558 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c19130_2m6e 1
. 9 . 994 . 1 1 3 VAL HG11 H 10.548 -2.699 -4.569 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c19130_2m6e 1
. 9 . 995 . 1 1 3 VAL HG12 H 9.677 -1.184 -4.816 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c19130_2m6e 1
. 9 . 996 . 1 1 3 VAL HG13 H 11.082 -1.231 -3.750 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c19130_2m6e 1
. 9 . 997 . 1 1 3 VAL HG21 H 8.646 -0.480 -1.712 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c19130_2m6e 1
. 9 . 998 . 1 1 3 VAL HG22 H 9.661 -1.646 -0.862 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c19130_2m6e 1
. 9 . 999 . 1 1 3 VAL HG23 H 10.387 -0.506 -1.995 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c19130_2m6e 1
. 9 . 1000 . 1 1 3 VAL N N 6.953 -2.391 -2.236 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c19130_2m6e 1
. 9 . 1001 . 1 1 3 VAL O O 8.163 -4.301 -4.299 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c19130_2m6e 1
. 9 . 1002 . 1 1 4 . C C 5.295 -3.586 -7.107 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . c19130_2m6e 1
. 9 . 1003 . 1 1 4 . CA C 6.737 -3.736 -6.617 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . c19130_2m6e 1
. 9 . 1004 . 1 1 4 . CB C 7.784 -3.533 -7.714 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . c19130_2m6e 1
. 9 . 1005 . 1 1 4 . CD1 C 7.791 -2.361 -9.947 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . c19130_2m6e 1
. 9 . 1006 . 1 1 4 . CD2 C 8.881 -1.273 -7.930 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . c19130_2m6e 1
. 9 . 1007 . 1 1 4 . CG C 7.754 -2.180 -8.428 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . c19130_2m6e 1
. 9 . 1008 . 1 1 4 . H H 6.566 -1.908 -5.633 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . c19130_2m6e 1
. 9 . 1009 . 1 1 4 . HA H 6.866 -4.747 -6.231 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . c19130_2m6e 1
. 9 . 1010 . 1 1 4 . HB2 H 7.657 -4.318 -8.460 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . c19130_2m6e 1
. 9 . 1011 . 1 1 4 . HB3 H 8.772 -3.668 -7.275 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . c19130_2m6e 1
. 9 . 1012 . 1 1 4 . HD11 H 8.775 -2.722 -10.245 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . c19130_2m6e 1
. 9 . 1013 . 1 1 4 . HD12 H 7.593 -1.405 -10.431 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . c19130_2m6e 1
. 9 . 1014 . 1 1 4 . HD13 H 7.033 -3.084 -10.246 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . c19130_2m6e 1
. 9 . 1015 . 1 1 4 . HD21 H 9.089 -1.493 -6.883 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . c19130_2m6e 1
. 9 . 1016 . 1 1 4 . HD22 H 8.579 -0.231 -8.030 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . c19130_2m6e 1
. 9 . 1017 . 1 1 4 . HD23 H 9.778 -1.450 -8.523 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . c19130_2m6e 1
. 9 . 1018 . 1 1 4 . HG H 6.813 -1.687 -8.185 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . c19130_2m6e 1
. 9 . 1019 . 1 1 4 . N N 6.968 -2.816 -5.516 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . c19130_2m6e 1
. 9 . 1020 . 1 1 4 . O O 4.985 -3.760 -8.286 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . c19130_2m6e 1
. 9 . 1021 . 1 1 5 TYR C C 2.820 -2.314 -7.786 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . c19130_2m6e 1
. 9 . 1022 . 1 1 5 TYR CA C 3.001 -3.077 -6.477 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . c19130_2m6e 1
. 9 . 1023 . 1 1 5 TYR CB C 2.300 -2.333 -5.339 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . c19130_2m6e 1
. 9 . 1024 . 1 1 5 TYR CD1 C 0.728 -0.660 -6.391 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . c19130_2m6e 1
. 9 . 1025 . 1 1 5 TYR CD2 C -0.214 -2.580 -5.338 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . c19130_2m6e 1
. 9 . 1026 . 1 1 5 TYR CE1 C -0.538 -0.213 -6.719 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . c19130_2m6e 1
. 9 . 1027 . 1 1 5 TYR CE2 C -1.483 -2.142 -5.664 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . c19130_2m6e 1
. 9 . 1028 . 1 1 5 TYR CG C 0.912 -1.849 -5.696 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . c19130_2m6e 1
. 9 . 1029 . 1 1 5 TYR CZ C -1.640 -0.958 -6.354 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . c19130_2m6e 1
. 9 . 1030 . 1 1 5 TYR H H 4.722 -3.130 -5.247 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . c19130_2m6e 1
. 9 . 1031 . 1 1 5 TYR HA H 2.558 -4.056 -6.581 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . c19130_2m6e 1
. 9 . 1032 . 1 1 5 TYR HB2 H 2.212 -2.991 -4.489 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . c19130_2m6e 1
. 9 . 1033 . 1 1 5 TYR HB3 H 2.891 -1.472 -5.063 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . c19130_2m6e 1
. 9 . 1034 . 1 1 5 TYR HD1 H 1.593 -0.079 -6.677 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . c19130_2m6e 1
. 9 . 1035 . 1 1 5 TYR HD2 H -0.087 -3.506 -4.797 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . c19130_2m6e 1
. 9 . 1036 . 1 1 5 TYR HE1 H -0.661 0.714 -7.260 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . c19130_2m6e 1
. 9 . 1037 . 1 1 5 TYR HE2 H -2.346 -2.724 -5.377 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . c19130_2m6e 1
. 9 . 1038 . 1 1 5 TYR HH H -2.870 -0.039 -7.510 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . c19130_2m6e 1
. 9 . 1039 . 1 1 5 TYR N N 4.415 -3.255 -6.169 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . c19130_2m6e 1
. 9 . 1040 . 1 1 5 TYR O O 3.514 -1.336 -8.065 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . c19130_2m6e 1
. 9 . 1041 . 1 1 5 TYR OH O -2.902 -0.517 -6.678 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . c19130_2m6e 1
. 9 . 1042 . 1 1 6 PRO C C 1.823 -5.238 -8.321 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19130_2m6e 1
. 9 . 1043 . 1 1 6 PRO CA C 1.033 -3.934 -8.287 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19130_2m6e 1
. 9 . 1044 . 1 1 6 PRO CB C -0.031 -3.924 -9.388 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19130_2m6e 1
. 9 . 1045 . 1 1 6 PRO CD C 1.523 -2.186 -9.917 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19130_2m6e 1
. 9 . 1046 . 1 1 6 PRO CG C 0.610 -3.213 -10.529 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19130_2m6e 1
. 9 . 1047 . 1 1 6 PRO HA H 0.557 -3.828 -7.323 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19130_2m6e 1
. 9 . 1048 . 1 1 6 PRO HB2 H -0.291 -4.940 -9.650 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19130_2m6e 1
. 9 . 1049 . 1 1 6 PRO HB3 H -0.909 -3.401 -9.040 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19130_2m6e 1
. 9 . 1050 . 1 1 6 PRO HD2 H 2.406 -2.057 -10.524 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19130_2m6e 1
. 9 . 1051 . 1 1 6 PRO HD3 H 1.005 -1.246 -9.795 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19130_2m6e 1
. 9 . 1052 . 1 1 6 PRO HG2 H 1.178 -3.912 -11.124 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19130_2m6e 1
. 9 . 1053 . 1 1 6 PRO HG3 H -0.145 -2.731 -11.131 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19130_2m6e 1
. 9 . 1054 . 1 1 6 PRO N N 1.865 -2.770 -8.609 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19130_2m6e 1
. 9 . 1055 . 1 1 6 PRO O O 1.459 -6.212 -7.662 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19130_2m6e 1
. 9 . 1056 . 1 1 7 TRP C C 4.686 -6.557 -8.018 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c19130_2m6e 1
. 9 . 1057 . 1 1 7 TRP CA C 3.745 -6.435 -9.211 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c19130_2m6e 1
. 9 . 1058 . 1 1 7 TRP CB C 4.552 -6.384 -10.510 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c19130_2m6e 1
. 9 . 1059 . 1 1 7 TRP CD1 C 4.716 -8.225 -12.285 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c19130_2m6e 1
. 9 . 1060 . 1 1 7 TRP CD2 C 2.670 -7.341 -12.061 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c19130_2m6e 1
. 9 . 1061 . 1 1 7 TRP CE2 C 2.624 -8.333 -13.060 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c19130_2m6e 1
. 9 . 1062 . 1 1 7 TRP CE3 C 1.499 -6.648 -11.745 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c19130_2m6e 1
. 9 . 1063 . 1 1 7 TRP CG C 4.017 -7.289 -11.578 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c19130_2m6e 1
. 9 . 1064 . 1 1 7 TRP CH2 C 0.321 -7.951 -13.416 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c19130_2m6e 1
. 9 . 1065 . 1 1 7 TRP CZ2 C 1.453 -8.646 -13.745 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c19130_2m6e 1
. 9 . 1066 . 1 1 7 TRP CZ3 C 0.337 -6.960 -12.426 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c19130_2m6e 1
. 9 . 1067 . 1 1 7 TRP H H 3.142 -4.441 -9.594 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c19130_2m6e 1
. 9 . 1068 . 1 1 7 TRP HA H 3.097 -7.299 -9.235 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c19130_2m6e 1
. 9 . 1069 . 1 1 7 TRP HB2 H 4.544 -5.375 -10.893 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c19130_2m6e 1
. 9 . 1070 . 1 1 7 TRP HB3 H 5.571 -6.678 -10.303 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c19130_2m6e 1
. 9 . 1071 . 1 1 7 TRP HD1 H 5.768 -8.428 -12.152 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c19130_2m6e 1
. 9 . 1072 . 1 1 7 TRP HE1 H 4.151 -9.568 -13.799 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c19130_2m6e 1
. 9 . 1073 . 1 1 7 TRP HE3 H 1.491 -5.880 -10.986 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c19130_2m6e 1
. 9 . 1074 . 1 1 7 TRP HH2 H -0.609 -8.161 -13.922 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c19130_2m6e 1
. 9 . 1075 . 1 1 7 TRP HZ2 H 1.424 -9.408 -14.510 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c19130_2m6e 1
. 9 . 1076 . 1 1 7 TRP HZ3 H -0.579 -6.434 -12.196 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c19130_2m6e 1
. 9 . 1077 . 1 1 7 TRP N N 2.904 -5.249 -9.092 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c19130_2m6e 1
. 9 . 1078 . 1 1 7 TRP NE1 N 3.885 -8.856 -13.178 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c19130_2m6e 1
. 9 . 1079 . 1 1 7 TRP O O 5.859 -6.190 -8.099 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c19130_2m6e 1
. 9 . 1080 . 1 1 8 CYS C C 5.672 -8.593 -5.701 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19130_2m6e 1
. 9 . 1081 . 1 1 8 CYS CA C 4.958 -7.244 -5.699 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19130_2m6e 1
. 9 . 1082 . 1 1 8 CYS CB C 4.067 -7.128 -4.460 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19130_2m6e 1
. 9 . 1083 . 1 1 8 CYS H H 3.223 -7.347 -6.907 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19130_2m6e 1
. 9 . 1084 . 1 1 8 CYS HA H 5.699 -6.459 -5.674 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19130_2m6e 1
. 9 . 1085 . 1 1 8 CYS HB2 H 3.074 -7.475 -4.707 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19130_2m6e 1
. 9 . 1086 . 1 1 8 CYS HB3 H 4.474 -7.747 -3.674 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19130_2m6e 1
. 9 . 1087 . 1 1 8 CYS N N 4.165 -7.074 -6.910 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19130_2m6e 1
. 9 . 1088 . 1 1 8 CYS O O 6.579 -8.824 -6.500 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19130_2m6e 1
. 9 . 1089 . 1 1 8 CYS SG S 3.915 -5.433 -3.810 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19130_2m6e 1
. 10 . 1090 . 1 1 1 GLY C C 3.485 -0.822 -0.888 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c19130_2m6e 1
. 10 . 1091 . 1 1 1 GLY CA C 2.107 -0.194 -0.969 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c19130_2m6e 1
. 10 . 1092 . 1 1 1 GLY H1 H 1.338 0.499 0.878 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c19130_2m6e 1
. 10 . 1093 . 1 1 1 GLY HA2 H 1.538 -0.697 -1.737 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c19130_2m6e 1
. 10 . 1094 . 1 1 1 GLY HA3 H 2.214 0.847 -1.239 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c19130_2m6e 1
. 10 . 1095 . 1 1 1 GLY N N 1.383 -0.280 0.285 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c19130_2m6e 1
. 10 . 1096 . 1 1 1 GLY O O 4.463 -0.149 -0.562 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c19130_2m6e 1
. 10 . 1097 . 1 1 2 CYS C C 5.646 -2.575 -2.400 . . . 1.0 . . . . . . . . . . . . A . 2 CYS C . . . . . . . . . c19130_2m6e 1
. 10 . 1098 . 1 1 2 CYS CA C 4.829 -2.835 -1.138 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CA . . . . . . . . . c19130_2m6e 1
. 10 . 1099 . 1 1 2 CYS CB C 4.580 -4.337 -0.978 . . . 1.0 . . . . . . . . . . . . A . 2 CYS CB . . . . . . . . . c19130_2m6e 1
. 10 . 1100 . 1 1 2 CYS H H 2.746 -2.598 -1.434 . . . 1.0 . . . . . . . . . . . . A . 2 CYS H . . . . . . . . . c19130_2m6e 1
. 10 . 1101 . 1 1 2 CYS HA H 5.384 -2.478 -0.284 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HA . . . . . . . . . c19130_2m6e 1
. 10 . 1102 . 1 1 2 CYS HB2 H 5.531 -4.849 -0.944 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB2 . . . . . . . . . c19130_2m6e 1
. 10 . 1103 . 1 1 2 CYS HB3 H 4.051 -4.510 -0.053 . . . 1.0 . . . . . . . . . . . . A . 2 CYS HB3 . . . . . . . . . c19130_2m6e 1
. 10 . 1104 . 1 1 2 CYS N N 3.562 -2.115 -1.182 . . . 1.0 . . . . . . . . . . . . A . 2 CYS N . . . . . . . . . c19130_2m6e 1
. 10 . 1105 . 1 1 2 CYS O O 5.108 -2.550 -3.507 . . . 1.0 . . . . . . . . . . . . A . 2 CYS O . . . . . . . . . c19130_2m6e 1
. 10 . 1106 . 1 1 2 CYS SG S 3.603 -5.076 -2.326 . . . 1.0 . . . . . . . . . . . . A . 2 CYS SG . . . . . . . . . c19130_2m6e 1
. 10 . 1107 . 1 1 3 VAL C C 7.672 -3.179 -4.437 . . . 1.0 . . . . . . . . . . . . A . 3 VAL C . . . . . . . . . c19130_2m6e 1
. 10 . 1108 . 1 1 3 VAL CA C 7.842 -2.125 -3.349 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CA . . . . . . . . . c19130_2m6e 1
. 10 . 1109 . 1 1 3 VAL CB C 9.316 -2.099 -2.900 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CB . . . . . . . . . c19130_2m6e 1
. 10 . 1110 . 1 1 3 VAL CG1 C 10.227 -1.786 -4.078 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG1 . . . . . . . . . c19130_2m6e 1
. 10 . 1111 . 1 1 3 VAL CG2 C 9.513 -1.089 -1.780 . . . 1.0 . . . . . . . . . . . . A . 3 VAL CG2 . . . . . . . . . c19130_2m6e 1
. 10 . 1112 . 1 1 3 VAL H H 7.320 -2.414 -1.318 . . . 1.0 . . . . . . . . . . . . A . 3 VAL H . . . . . . . . . c19130_2m6e 1
. 10 . 1113 . 1 1 3 VAL HA H 7.595 -1.156 -3.757 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HA . . . . . . . . . c19130_2m6e 1
. 10 . 1114 . 1 1 3 VAL HB H 9.574 -3.078 -2.524 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HB . . . . . . . . . c19130_2m6e 1
. 10 . 1115 . 1 1 3 VAL HG11 H 10.828 -0.919 -3.847 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG11 . . . . . . . . . c19130_2m6e 1
. 10 . 1116 . 1 1 3 VAL HG12 H 10.871 -2.632 -4.270 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG12 . . . . . . . . . c19130_2m6e 1
. 10 . 1117 . 1 1 3 VAL HG13 H 9.627 -1.584 -4.953 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG13 . . . . . . . . . c19130_2m6e 1
. 10 . 1118 . 1 1 3 VAL HG21 H 8.896 -0.223 -1.964 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG21 . . . . . . . . . c19130_2m6e 1
. 10 . 1119 . 1 1 3 VAL HG22 H 9.233 -1.537 -0.837 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG22 . . . . . . . . . c19130_2m6e 1
. 10 . 1120 . 1 1 3 VAL HG23 H 10.551 -0.791 -1.742 . . . 1.0 . . . . . . . . . . . . A . 3 VAL HG23 . . . . . . . . . c19130_2m6e 1
. 10 . 1121 . 1 1 3 VAL N N 6.950 -2.382 -2.225 . . . 1.0 . . . . . . . . . . . . A . 3 VAL N . . . . . . . . . c19130_2m6e 1
. 10 . 1122 . 1 1 3 VAL O O 8.171 -4.292 -4.282 . . . 1.0 . . . . . . . . . . . . A . 3 VAL O . . . . . . . . . c19130_2m6e 1
. 10 . 1123 . 1 1 4 . C C 5.315 -3.581 -7.103 . . . 1.0 . . . . . . . . . . . . A . 4 DLE C . . . . . . . . . c19130_2m6e 1
. 10 . 1124 . 1 1 4 . CA C 6.754 -3.730 -6.606 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CA . . . . . . . . . c19130_2m6e 1
. 10 . 1125 . 1 1 4 . CB C 7.806 -3.527 -7.698 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CB . . . . . . . . . c19130_2m6e 1
. 10 . 1126 . 1 1 4 . CD1 C 7.210 -2.060 -9.660 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD1 . . . . . . . . . c19130_2m6e 1
. 10 . 1127 . 1 1 4 . CD2 C 9.344 -1.640 -8.355 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CD2 . . . . . . . . . c19130_2m6e 1
. 10 . 1128 . 1 1 4 . CG C 7.893 -2.120 -8.293 . . . 1.0 . . . . . . . . . . . . A . 4 DLE CG . . . . . . . . . c19130_2m6e 1
. 10 . 1129 . 1 1 4 . H H 6.577 -1.902 -5.624 . . . 1.0 . . . . . . . . . . . . A . 4 DLE H . . . . . . . . . c19130_2m6e 1
. 10 . 1130 . 1 1 4 . HA H 6.883 -4.741 -6.218 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HA . . . . . . . . . c19130_2m6e 1
. 10 . 1131 . 1 1 4 . HB2 H 7.602 -4.230 -8.506 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB2 . . . . . . . . . c19130_2m6e 1
. 10 . 1132 . 1 1 4 . HB3 H 8.782 -3.788 -7.288 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HB3 . . . . . . . . . c19130_2m6e 1
. 10 . 1133 . 1 1 4 . HD11 H 6.413 -1.316 -9.636 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD11 . . . . . . . . . c19130_2m6e 1
. 10 . 1134 . 1 1 4 . HD12 H 6.788 -3.036 -9.899 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD12 . . . . . . . . . c19130_2m6e 1
. 10 . 1135 . 1 1 4 . HD13 H 7.941 -1.784 -10.420 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD13 . . . . . . . . . c19130_2m6e 1
. 10 . 1136 . 1 1 4 . HD21 H 10.013 -2.499 -8.313 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD21 . . . . . . . . . c19130_2m6e 1
. 10 . 1137 . 1 1 4 . HD22 H 9.545 -0.981 -7.511 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD22 . . . . . . . . . c19130_2m6e 1
. 10 . 1138 . 1 1 4 . HD23 H 9.507 -1.097 -9.286 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HD23 . . . . . . . . . c19130_2m6e 1
. 10 . 1139 . 1 1 4 . HG H 7.356 -1.437 -7.634 . . . 1.0 . . . . . . . . . . . . A . 4 DLE HG . . . . . . . . . c19130_2m6e 1
. 10 . 1140 . 1 1 4 . N N 6.980 -2.809 -5.505 . . . 1.0 . . . . . . . . . . . . A . 4 DLE N . . . . . . . . . c19130_2m6e 1
. 10 . 1141 . 1 1 4 . O O 5.010 -3.757 -8.283 . . . 1.0 . . . . . . . . . . . . A . 4 DLE O . . . . . . . . . c19130_2m6e 1
. 10 . 1142 . 1 1 5 TYR C C 2.842 -2.311 -7.794 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . c19130_2m6e 1
. 10 . 1143 . 1 1 5 TYR CA C 3.017 -3.073 -6.484 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . c19130_2m6e 1
. 10 . 1144 . 1 1 5 TYR CB C 2.310 -2.329 -5.350 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . c19130_2m6e 1
. 10 . 1145 . 1 1 5 TYR CD1 C 0.742 -0.658 -6.410 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . c19130_2m6e 1
. 10 . 1146 . 1 1 5 TYR CD2 C -0.203 -2.579 -5.360 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . c19130_2m6e 1
. 10 . 1147 . 1 1 5 TYR CE1 C -0.523 -0.213 -6.744 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . c19130_2m6e 1
. 10 . 1148 . 1 1 5 TYR CE2 C -1.471 -2.142 -5.691 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . c19130_2m6e 1
. 10 . 1149 . 1 1 5 TYR CG C 0.924 -1.847 -5.714 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . c19130_2m6e 1
. 10 . 1150 . 1 1 5 TYR CZ C -1.626 -0.959 -6.383 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . c19130_2m6e 1
. 10 . 1151 . 1 1 5 TYR H H 4.733 -3.124 -5.246 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . c19130_2m6e 1
. 10 . 1152 . 1 1 5 TYR HA H 2.575 -4.053 -6.589 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . c19130_2m6e 1
. 10 . 1153 . 1 1 5 TYR HB2 H 2.219 -2.987 -4.499 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . c19130_2m6e 1
. 10 . 1154 . 1 1 5 TYR HB3 H 2.899 -1.468 -5.071 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . c19130_2m6e 1
. 10 . 1155 . 1 1 5 TYR HD1 H 1.607 -0.077 -6.691 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . c19130_2m6e 1
. 10 . 1156 . 1 1 5 TYR HD2 H -0.078 -3.505 -4.818 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . c19130_2m6e 1
. 10 . 1157 . 1 1 5 TYR HE1 H -0.645 0.713 -7.286 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . c19130_2m6e 1
. 10 . 1158 . 1 1 5 TYR HE2 H -2.335 -2.725 -5.408 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . c19130_2m6e 1
. 10 . 1159 . 1 1 5 TYR HH H -3.534 -1.180 -6.454 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . c19130_2m6e 1
. 10 . 1160 . 1 1 5 TYR N N 4.430 -3.250 -6.169 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . c19130_2m6e 1
. 10 . 1161 . 1 1 5 TYR O O 3.536 -1.332 -8.070 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . c19130_2m6e 1
. 10 . 1162 . 1 1 5 TYR OH O -2.887 -0.519 -6.714 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . c19130_2m6e 1
. 10 . 1163 . 1 1 6 PRO C C 1.849 -5.236 -8.333 . . . 1.0 . . . . . . . . . . . . A . 6 PRO C . . . . . . . . . c19130_2m6e 1
. 10 . 1164 . 1 1 6 PRO CA C 1.058 -3.933 -8.303 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CA . . . . . . . . . c19130_2m6e 1
. 10 . 1165 . 1 1 6 PRO CB C -0.001 -3.925 -9.408 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CB . . . . . . . . . c19130_2m6e 1
. 10 . 1166 . 1 1 6 PRO CD C 1.554 -2.186 -9.931 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CD . . . . . . . . . c19130_2m6e 1
. 10 . 1167 . 1 1 6 PRO CG C 0.646 -3.213 -10.546 . . . 1.0 . . . . . . . . . . . . A . 6 PRO CG . . . . . . . . . c19130_2m6e 1
. 10 . 1168 . 1 1 6 PRO HA H 0.578 -3.826 -7.341 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HA . . . . . . . . . c19130_2m6e 1
. 10 . 1169 . 1 1 6 PRO HB2 H -0.258 -4.941 -9.671 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB2 . . . . . . . . . c19130_2m6e 1
. 10 . 1170 . 1 1 6 PRO HB3 H -0.880 -3.402 -9.065 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HB3 . . . . . . . . . c19130_2m6e 1
. 10 . 1171 . 1 1 6 PRO HD2 H 2.441 -2.056 -10.534 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD2 . . . . . . . . . c19130_2m6e 1
. 10 . 1172 . 1 1 6 PRO HD3 H 1.035 -1.246 -9.812 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HD3 . . . . . . . . . c19130_2m6e 1
. 10 . 1173 . 1 1 6 PRO HG2 H 1.217 -3.912 -11.139 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG2 . . . . . . . . . c19130_2m6e 1
. 10 . 1174 . 1 1 6 PRO HG3 H -0.107 -2.732 -11.153 . . . 1.0 . . . . . . . . . . . . A . 6 PRO HG3 . . . . . . . . . c19130_2m6e 1
. 10 . 1175 . 1 1 6 PRO N N 1.891 -2.769 -8.621 . . . 1.0 . . . . . . . . . . . . A . 6 PRO N . . . . . . . . . c19130_2m6e 1
. 10 . 1176 . 1 1 6 PRO O O 1.483 -6.210 -7.674 . . . 1.0 . . . . . . . . . . . . A . 6 PRO O . . . . . . . . . c19130_2m6e 1
. 10 . 1177 . 1 1 7 TRP C C 4.712 -6.553 -8.016 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c19130_2m6e 1
. 10 . 1178 . 1 1 7 TRP CA C 3.776 -6.432 -9.213 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c19130_2m6e 1
. 10 . 1179 . 1 1 7 TRP CB C 4.589 -6.382 -10.508 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c19130_2m6e 1
. 10 . 1180 . 1 1 7 TRP CD1 C 4.761 -8.224 -12.281 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c19130_2m6e 1
. 10 . 1181 . 1 1 7 TRP CD2 C 2.714 -7.341 -12.067 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c19130_2m6e 1
. 10 . 1182 . 1 1 7 TRP CE2 C 2.673 -8.333 -13.066 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c19130_2m6e 1
. 10 . 1183 . 1 1 7 TRP CE3 C 1.541 -6.649 -11.757 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c19130_2m6e 1
. 10 . 1184 . 1 1 7 TRP CG C 4.059 -7.288 -11.578 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c19130_2m6e 1
. 10 . 1185 . 1 1 7 TRP CH2 C 0.371 -7.954 -13.431 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c19130_2m6e 1
. 10 . 1186 . 1 1 7 TRP CZ2 C 1.505 -8.647 -13.755 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c19130_2m6e 1
. 10 . 1187 . 1 1 7 TRP CZ3 C 0.382 -6.961 -12.442 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c19130_2m6e 1
. 10 . 1188 . 1 1 7 TRP H H 3.174 -4.439 -9.600 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c19130_2m6e 1
. 10 . 1189 . 1 1 7 TRP HA H 3.130 -7.297 -9.239 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c19130_2m6e 1
. 10 . 1190 . 1 1 7 TRP HB2 H 4.581 -5.373 -10.892 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c19130_2m6e 1
. 10 . 1191 . 1 1 7 TRP HB3 H 5.608 -6.675 -10.297 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c19130_2m6e 1
. 10 . 1192 . 1 1 7 TRP HD1 H 5.813 -8.426 -12.144 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c19130_2m6e 1
. 10 . 1193 . 1 1 7 TRP HE1 H 4.204 -9.568 -13.797 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c19130_2m6e 1
. 10 . 1194 . 1 1 7 TRP HE3 H 1.530 -5.880 -10.998 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c19130_2m6e 1
. 10 . 1195 . 1 1 7 TRP HH2 H -0.557 -8.164 -13.941 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c19130_2m6e 1
. 10 . 1196 . 1 1 7 TRP HZ2 H 1.480 -9.410 -14.520 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c19130_2m6e 1
. 10 . 1197 . 1 1 7 TRP HZ3 H -0.534 -6.436 -12.217 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c19130_2m6e 1
. 10 . 1198 . 1 1 7 TRP N N 2.934 -5.247 -9.099 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c19130_2m6e 1
. 10 . 1199 . 1 1 7 TRP NE1 N 3.934 -8.856 -13.178 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c19130_2m6e 1
. 10 . 1200 . 1 1 7 TRP O O 5.885 -6.186 -8.092 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c19130_2m6e 1
. 10 . 1201 . 1 1 8 CYS C C 5.691 -8.584 -5.693 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . c19130_2m6e 1
. 10 . 1202 . 1 1 8 CYS CA C 4.975 -7.236 -5.695 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . c19130_2m6e 1
. 10 . 1203 . 1 1 8 CYS CB C 4.078 -7.122 -4.460 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . c19130_2m6e 1
. 10 . 1204 . 1 1 8 CYS H H 3.245 -7.342 -6.909 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . c19130_2m6e 1
. 10 . 1205 . 1 1 8 CYS HA H 5.714 -6.450 -5.666 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . c19130_2m6e 1
. 10 . 1206 . 1 1 8 CYS HB2 H 3.087 -7.470 -4.711 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . c19130_2m6e 1
. 10 . 1207 . 1 1 8 CYS HB3 H 4.483 -7.740 -3.672 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . c19130_2m6e 1
. 10 . 1208 . 1 1 8 CYS N N 4.187 -7.068 -6.909 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . c19130_2m6e 1
. 10 . 1209 . 1 1 8 CYS O O 6.108 -9.077 -6.741 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . c19130_2m6e 1
. 10 . 1210 . 1 1 8 CYS SG S 3.921 -5.427 -3.810 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . c19130_2m6e 1
stop_
save_
###########################
# Constraint Statistics #
###########################
save_constraint_statistics
_Constraint_stat_list.Sf_framecode constraint_statistics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID c19130_2m6e
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2m6e.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c19130_2m6e 1
1 2m6e.mr . . DYANA/DIANA 2 'dihedral angle' 'Not applicable' 'Not applicable' 7 c19130_2m6e 1
1 2m6e.mr . . DYANA/DIANA 3 distance 'hydrogen bond' simple 2 c19130_2m6e 1
1 2m6e.mr . . DYANA/DIANA 4 distance 'general distance' simple 4 c19130_2m6e 1
1 2m6e.mr . . DYANA/DIANA 5 distance NOE simple 48 c19130_2m6e 1
1 2m6e.mr . . 'MR format' 6 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c19130_2m6e 1
stop_
save_
save_DYANA/DIANA_distance_constraints_4
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_4
_Gen_dist_constraint_list.Entry_ID c19130_2m6e
_Gen_dist_constraint_list.ID 2
_Gen_dist_constraint_list.Constraint_type 'general distance'
_Gen_dist_constraint_list.Details 'Generated by Wattos'
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 4
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . c19130_2m6e 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 2 2 CYS SG S . . . 1 1 8 8 CYS SG S . . . . . . . 2.1 . . . . . A . 2 CYS SG . . A . 8 CYS SG . . . 2 CYSS SG . . . . . 8 CYSS SG . . c19130_2m6e 1
2 1 . . 1 1 2 2 CYS SG S . . . 1 1 8 8 CYS CB C . . . . . . . 3.1 . . . . . A . 2 CYS SG . . A . 8 CYS CB . . . 2 CYSS SG . . . . . 8 CYSS CB . . c19130_2m6e 1
3 1 . . 1 1 8 8 CYS SG S . . . 1 1 2 2 CYS CB C . . . . . . . 3.1 . . . . . A . 8 CYS SG . . A . 2 CYS CB . . . 8 CYSS SG . . . . . 2 CYSS CB . . c19130_2m6e 1
4 1 . . 1 1 8 8 CYS CB C . . . 1 1 2 2 CYS CB C . . . . . . . 4.5 . . . . . A . 8 CYS CB . . A . 2 CYS CB . . . 8 CYSS CB . . . . . 2 CYSS CB . . c19130_2m6e 1
stop_
save_
save_DYANA/DIANA_distance_constraints_5
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_5
_Gen_dist_constraint_list.Entry_ID c19130_2m6e
_Gen_dist_constraint_list.ID 3
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details 'Generated by Wattos'
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 5
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . c19130_2m6e 2
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 OR . 1 1 1 1 GLY H1 H . . . 1 1 1 1 GLY HA2 H . . . . . . . 3.0 . . . . . A . 1 GLY H1 . . A . 1 GLY HA2 . . . 1 GLY H . . . . . 1 GLY QA . . c19130_2m6e 2
1 2 OR . 1 1 1 1 GLY H1 H . . . 1 1 1 1 GLY HA3 H . . . . . . . 3.0 . . . . . A . 1 GLY H1 . . A . 1 GLY HA3 . . . 1 GLY H . . . . . 1 GLY QA . . c19130_2m6e 2
2 1 OR . 1 1 2 2 CYS H H . . . 1 1 1 1 GLY HA2 H . . . . . . . 2.4 . . . . . A . 2 CYS H . . A . 1 GLY HA2 . . . 2 CYSS H . . . . . 1 GLY QA . . c19130_2m6e 2
2 2 OR . 1 1 1 1 GLY HA3 H . . . 1 1 2 2 CYS H H . . . . . . . 2.4 . . . . . A . 1 GLY HA3 . . A . 2 CYS H . . . 1 GLY QA . . . . . 2 CYSS H . . c19130_2m6e 2
3 1 . . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HA H . . . . . . . 3.0 . . . . . A . 2 CYS H . . A . 2 CYS HA . . . 2 CYSS H . . . . . 2 CYSS HA . . c19130_2m6e 2
4 1 . . 1 1 2 2 CYS HA H . . . 1 1 3 3 VAL H H . . . . . . . 2.4 . . . . . A . 2 CYS HA . . A . 3 VAL H . . . 2 CYSS HA . . . . . 3 VAL H . . c19130_2m6e 2
5 1 OR . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HB2 H . . . . . . . 3.5 . . . . . A . 2 CYS H . . A . 2 CYS HB2 . . . 2 CYSS H . . . . . 2 CYSS QB . . c19130_2m6e 2
5 2 OR . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HB3 H . . . . . . . 3.5 . . . . . A . 2 CYS H . . A . 2 CYS HB3 . . . 2 CYSS H . . . . . 2 CYSS QB . . c19130_2m6e 2
6 1 OR . 1 1 3 3 VAL H H . . . 1 1 2 2 CYS HB2 H . . . . . . . 3.5 . . . . . A . 3 VAL H . . A . 2 CYS HB2 . . . 3 VAL H . . . . . 2 CYSS QB . . c19130_2m6e 2
6 2 OR . 1 1 3 3 VAL H H . . . 1 1 2 2 CYS HB3 H . . . . . . . 3.5 . . . . . A . 3 VAL H . . A . 2 CYS HB3 . . . 3 VAL H . . . . . 2 CYSS QB . . c19130_2m6e 2
7 1 . . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL HA H . . . . . . . 3.0 . . . . . A . 3 VAL H . . A . 3 VAL HA . . . 3 VAL H . . . . . 3 VAL HA . . c19130_2m6e 2
8 1 . . 1 1 3 3 VAL HA H . . . 1 1 5 5 TYR H H . . . . . . . 4.5 . . . . . A . 3 VAL HA . . A . 5 TYR H . . . 3 VAL HA . . . . . 5 TYR H . . c19130_2m6e 2
9 1 . . 1 1 3 3 VAL HA H . . . 1 1 3 3 VAL HB H . . . . . . . 4.0 . . . . . A . 3 VAL HA . . A . 3 VAL HB . . . 3 VAL HA . . . . . 3 VAL HB . . c19130_2m6e 2
10 1 OR . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL MG1 H . . . . . . . 3.5 . . . . . A . 3 VAL H . . A . 3 VAL MG1 . . . 3 VAL H . . . . . 3 VAL QQG . . c19130_2m6e 2
10 2 OR . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL MG2 H . . . . . . . 3.5 . . . . . A . 3 VAL H . . A . 3 VAL MG2 . . . 3 VAL H . . . . . 3 VAL QQG . . c19130_2m6e 2
11 1 . . 1 1 3 3 VAL H H . . . 1 1 3 3 VAL HB H . . . . . . . 3.0 . . . . . A . 3 VAL H . . A . 3 VAL HB . . . 3 VAL H . . . . . 3 VAL HB . . c19130_2m6e 2
12 1 OR . 1 1 3 3 VAL HA H . . . 1 1 3 3 VAL MG1 H . . . . . . . 3.0 . . . . . A . 3 VAL HA . . A . 3 VAL MG1 . . . 3 VAL HA . . . . . 3 VAL QQG . . c19130_2m6e 2
12 2 OR . 1 1 3 3 VAL HA H . . . 1 1 3 3 VAL MG2 H . . . . . . . 3.0 . . . . . A . 3 VAL HA . . A . 3 VAL MG2 . . . 3 VAL HA . . . . . 3 VAL QQG . . c19130_2m6e 2
13 1 . . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR HA H . . . . . . . 3.5 . . . . . A . 5 TYR H . . A . 5 TYR HA . . . 5 TYR H . . . . . 5 TYR HA . . c19130_2m6e 2
14 1 . . 1 1 5 5 TYR HA H . . . 1 1 7 7 TRP H H . . . . . . . 3.0 . . . . . A . 5 TYR HA . . A . 7 TRP H . . . 5 TYR HA . . . . . 7 TRP H . . c19130_2m6e 2
15 1 . . 1 1 5 5 TYR H H . . . 1 1 8 8 CYS HA H . . . . . . . 3.5 . . . . . A . 5 TYR H . . A . 8 CYS HA . . . 5 TYR H . . . . . 8 CYSS HA . . c19130_2m6e 2
16 1 . . 1 1 5 5 TYR H H . . . 1 1 8 8 CYS H H . . . . . . . 5.0 . . . . . A . 5 TYR H . . A . 8 CYS H . . . 5 TYR H . . . . . 8 CYSS H . . c19130_2m6e 2
17 1 . . 1 1 5 5 TYR HA H . . . 1 1 8 8 CYS H H . . . . . . . 3.5 . . . . . A . 5 TYR HA . . A . 8 CYS H . . . 5 TYR HA . . . . . 8 CYSS H . . c19130_2m6e 2
18 1 . . 1 1 5 5 TYR HA H . . . 1 1 6 6 PRO HA H . . . . . . . 2.4 . . . . . A . 5 TYR HA . . A . 6 PRO HA . . . 5 TYR HA . . . . . 6 PRO HA . . c19130_2m6e 2
19 1 OR . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR HB2 H . . . . . . . 2.5 . . . . . A . 5 TYR H . . A . 5 TYR HB2 . . . 5 TYR H . . . . . 5 TYR QB . . c19130_2m6e 2
19 2 OR . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR HB3 H . . . . . . . 2.5 . . . . . A . 5 TYR H . . A . 5 TYR HB3 . . . 5 TYR H . . . . . 5 TYR QB . . c19130_2m6e 2
20 1 OR . 1 1 5 5 TYR HA H . . . 1 1 5 5 TYR HB2 H . . . . . . . 2.5 . . . . . A . 5 TYR HA . . A . 5 TYR HB2 . . . 5 TYR HA . . . . . 5 TYR QB . . c19130_2m6e 2
20 2 OR . 1 1 5 5 TYR HA H . . . 1 1 5 5 TYR HB3 H . . . . . . . 2.5 . . . . . A . 5 TYR HA . . A . 5 TYR HB3 . . . 5 TYR HA . . . . . 5 TYR QB . . c19130_2m6e 2
21 1 OR . 1 1 5 5 TYR QD H . . . 1 1 1 1 GLY HA2 H . . . . . . . 4.0 . . . . . A . 5 TYR QD . . A . 1 GLY HA2 . . . 5 TYR QD . . . . . 1 GLY QA . . c19130_2m6e 2
21 2 OR . 1 1 1 1 GLY HA3 H . . . 1 1 5 5 TYR QD H . . . . . . . 4.0 . . . . . A . 1 GLY HA3 . . A . 5 TYR QD . . . 1 GLY QA . . . . . 5 TYR QD . . c19130_2m6e 2
22 1 . . 1 1 2 2 CYS H H . . . 1 1 5 5 TYR QD H . . . . . . . 4.5 . . . . . A . 2 CYS H . . A . 5 TYR QD . . . 2 CYSS H . . . . . 5 TYR QD . . c19130_2m6e 2
23 1 OR . 1 1 5 5 TYR QD H . . . 1 1 6 6 PRO HB2 H . . . . . . . 5.0 . . . . . A . 5 TYR QD . . A . 6 PRO HB2 . . . 5 TYR QD . . . . . 6 PRO QB . . c19130_2m6e 2
23 2 OR . 1 1 5 5 TYR QD H . . . 1 1 6 6 PRO HB3 H . . . . . . . 5.0 . . . . . A . 5 TYR QD . . A . 6 PRO HB3 . . . 5 TYR QD . . . . . 6 PRO QB . . c19130_2m6e 2
24 1 . . 1 1 6 6 PRO HA H . . . 1 1 5 5 TYR QD H . . . . . . . 2.5 . . . . . A . 6 PRO HA . . A . 5 TYR QD . . . 6 PRO HA . . . . . 5 TYR QD . . c19130_2m6e 2
25 1 OR . 1 1 5 5 TYR QD H . . . 1 1 6 6 PRO HD2 H . . . . . . . 3.5 . . . . . A . 5 TYR QD . . A . 6 PRO HD2 . . . 5 TYR QD . . . . . 6 PRO QD . . c19130_2m6e 2
25 2 OR . 1 1 5 5 TYR QD H . . . 1 1 6 6 PRO HD3 H . . . . . . . 3.5 . . . . . A . 5 TYR QD . . A . 6 PRO HD3 . . . 5 TYR QD . . . . . 6 PRO QD . . c19130_2m6e 2
26 1 OR . 1 1 5 5 TYR QD H . . . 1 1 5 5 TYR HB2 H . . . . . . . 2.5 . . . . . A . 5 TYR QD . . A . 5 TYR HB2 . . . 5 TYR QD . . . . . 5 TYR QB . . c19130_2m6e 2
26 2 OR . 1 1 5 5 TYR HB3 H . . . 1 1 5 5 TYR QD H . . . . . . . 2.5 . . . . . A . 5 TYR HB3 . . A . 5 TYR QD . . . 5 TYR QB . . . . . 5 TYR QD . . c19130_2m6e 2
27 1 . . 1 1 5 5 TYR HA H . . . 1 1 5 5 TYR QD H . . . . . . . 4.0 . . . . . A . 5 TYR HA . . A . 5 TYR QD . . . 5 TYR HA . . . . . 5 TYR QD . . c19130_2m6e 2
28 1 OR . 1 1 2 2 CYS H H . . . 1 1 5 5 TYR HB2 H . . . . . . . 3.5 . . . . . A . 2 CYS H . . A . 5 TYR HB2 . . . 2 CYSS H . . . . . 5 TYR QB . . c19130_2m6e 2
28 2 OR . 1 1 2 2 CYS H H . . . 1 1 5 5 TYR HB3 H . . . . . . . 3.5 . . . . . A . 2 CYS H . . A . 5 TYR HB3 . . . 2 CYSS H . . . . . 5 TYR QB . . c19130_2m6e 2
29 1 . . 1 1 6 6 PRO HA H . . . 1 1 5 5 TYR QE H . . . . . . . 4.5 . . . . . A . 6 PRO HA . . A . 5 TYR QE . . . 6 PRO HA . . . . . 5 TYR QE . . c19130_2m6e 2
30 1 OR . 1 1 5 5 TYR QE H . . . 1 1 6 6 PRO HB2 H . . . . . . . 5.0 . . . . . A . 5 TYR QE . . A . 6 PRO HB2 . . . 5 TYR QE . . . . . 6 PRO QB . . c19130_2m6e 2
30 2 OR . 1 1 6 6 PRO HB3 H . . . 1 1 5 5 TYR QE H . . . . . . . 5.0 . . . . . A . 6 PRO HB3 . . A . 5 TYR QE . . . 6 PRO QB . . . . . 5 TYR QE . . c19130_2m6e 2
31 1 . . 1 1 7 7 TRP H H . . . 1 1 6 6 PRO HA H . . . . . . . 3.5 . . . . . A . 7 TRP H . . A . 6 PRO HA . . . 7 TRP H . . . . . 6 PRO HA . . c19130_2m6e 2
32 1 OR . 1 1 7 7 TRP H H . . . 1 1 6 6 PRO HD2 H . . . . . . . 3.5 . . . . . A . 7 TRP H . . A . 6 PRO HD2 . . . 7 TRP H . . . . . 6 PRO QD . . c19130_2m6e 2
32 2 OR . 1 1 7 7 TRP H H . . . 1 1 6 6 PRO HD3 H . . . . . . . 3.5 . . . . . A . 7 TRP H . . A . 6 PRO HD3 . . . 7 TRP H . . . . . 6 PRO QD . . c19130_2m6e 2
33 1 OR . 1 1 7 7 TRP H H . . . 1 1 6 6 PRO HG2 H . . . . . . . 4.5 . . . . . A . 7 TRP H . . A . 6 PRO HG2 . . . 7 TRP H . . . . . 6 PRO QG . . c19130_2m6e 2
33 2 OR . 1 1 7 7 TRP H H . . . 1 1 6 6 PRO HG3 H . . . . . . . 4.5 . . . . . A . 7 TRP H . . A . 6 PRO HG3 . . . 7 TRP H . . . . . 6 PRO QG . . c19130_2m6e 2
34 1 . . 1 1 7 7 TRP H H . . . 1 1 7 7 TRP HA H . . . . . . . 3.0 . . . . . A . 7 TRP H . . A . 7 TRP HA . . . 7 TRP H . . . . . 7 TRP HA . . c19130_2m6e 2
35 1 . . 1 1 7 7 TRP HA H . . . 1 1 7 7 TRP HE3 H . . . . . . . 3.0 . . . . . A . 7 TRP HA . . A . 7 TRP HE3 . . . 7 TRP HA . . . . . 7 TRP HE3 . . c19130_2m6e 2
36 1 . . 1 1 7 7 TRP H H . . . 1 1 7 7 TRP HE3 H . . . . . . . 4.0 . . . . . A . 7 TRP H . . A . 7 TRP HE3 . . . 7 TRP H . . . . . 7 TRP HE3 . . c19130_2m6e 2
37 1 OR . 1 1 7 7 TRP H H . . . 1 1 7 7 TRP HB2 H . . . . . . . 3.0 . . . . . A . 7 TRP H . . A . 7 TRP HB2 . . . 7 TRP H . . . . . 7 TRP QB . . c19130_2m6e 2
37 2 OR . 1 1 7 7 TRP H H . . . 1 1 7 7 TRP HB3 H . . . . . . . 3.0 . . . . . A . 7 TRP H . . A . 7 TRP HB3 . . . 7 TRP H . . . . . 7 TRP QB . . c19130_2m6e 2
38 1 . . 1 1 8 8 CYS H H . . . 1 1 7 7 TRP HA H . . . . . . . 3.5 . . . . . A . 8 CYS H . . A . 7 TRP HA . . . 8 CYSS H . . . . . 7 TRP HA . . c19130_2m6e 2
39 1 . . 1 1 7 7 TRP H H . . . 1 1 8 8 CYS H H . . . . . . . 4.0 . . . . . A . 7 TRP H . . A . 8 CYS H . . . 7 TRP H . . . . . 8 CYSS H . . c19130_2m6e 2
40 1 . . 1 1 8 8 CYS HA H . . . 1 1 8 8 CYS H H . . . . . . . 3.0 . . . . . A . 8 CYS HA . . A . 8 CYS H . . . 8 CYSS HA . . . . . 8 CYSS H . . c19130_2m6e 2
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 5 9 1 "Not handling restraint 9, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" c19130_2m6e 2
2 5 14 1 "Not handling restraint 14, item 1, resonance(s) ' .4.H' (nmrStar names),' .4.HA' (nmrStar names) not linked" c19130_2m6e 2
3 5 15 1 "Not handling restraint 15, item 1, resonance(s) ' .4.H' (nmrStar names) not linked" c19130_2m6e 2
4 5 16 1 "Not handling restraint 16, item 1, resonance(s) ' .4.HA' (nmrStar names) not linked" c19130_2m6e 2
5 5 17 1 "Not handling restraint 17, item 1, resonance(s) ' .4.H' (nmrStar names),' .4.QB' (nmrStar names) not linked" c19130_2m6e 2
6 5 18 1 "Not handling restraint 18, item 1, resonance(s) ' .4.H' (nmrStar names),' .4.HG' (nmrStar names) not linked" c19130_2m6e 2
7 5 19 1 "Not handling restraint 19, item 1, resonance(s) ' .4.HA' (nmrStar names),' .4.QQD' (nmrStar names) not linked" c19130_2m6e 2
8 5 26 1 "Not handling restraint 26, item 1, resonance(s) ' .4.HG' (nmrStar names) not linked" c19130_2m6e 2
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_3
_Gen_dist_constraint_list.Entry_ID c19130_2m6e
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type 'hydrogen bond'
_Gen_dist_constraint_list.Details 'Generated by Wattos'
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 3
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . c19130_2m6e 3
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 5 5 TYR H H . . . 1 1 2 2 CYS O O . . . . . . . 2.2 . . . . . A . 5 TYR H . . A . 2 CYS O . . . 5 TYR H . . . . . 2 CYSS O . . c19130_2m6e 3
2 1 . . 1 1 2 2 CYS O O . . . 1 1 5 5 TYR N N . . . . . . . 3.2 . . . . . A . 2 CYS O . . A . 5 TYR N . . . 2 CYSS O . . . . . 5 TYR N . . c19130_2m6e 3
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Entry_ID c19130_2m6e
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details 'Generated by Wattos'
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . c19130_2m6e 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 PHI . 1 1 1 1 GLY C C . . 1 1 2 2 CYS N N . . 1 1 2 2 CYS CA C . . 1 1 2 2 CYS C C . -160.0 -80.0 . . . A . 1 GLY C . . A . 2 CYS N . . A . 2 CYS CA . . A . 2 CYS C . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . . . . 2 CYSS . . . c19130_2m6e 1
2 CHI1 . 1 1 5 5 TYR N N . . 1 1 5 5 TYR CA C . . 1 1 5 5 TYR CB C . . 1 1 5 5 TYR CG C . -210.0 -150.0 . . . A . 5 TYR N . . A . 5 TYR CA . . A . 5 TYR CB . . A . 5 TYR CG . . . 5 TYR . . . . . . 5 TYR . . . . . . 5 TYR . . . . . . 5 TYR . . . c19130_2m6e 1
3 PHI . 1 1 6 6 PRO C C . . 1 1 7 7 TRP N N . . 1 1 7 7 TRP CA C . . 1 1 7 7 TRP C C . -160.0 -80.0 . . . A . 6 PRO C . . A . 7 TRP N . . A . 7 TRP CA . . A . 7 TRP C . . . 7 TRP . . . . . . 7 TRP . . . . . . 7 TRP . . . . . . 7 TRP . . . c19130_2m6e 1
4 PHI . 1 1 7 7 TRP C C . . 1 1 8 8 CYS N N . . 1 1 8 8 CYS CA C . . 1 1 8 8 CYS C C . -160.0 -80.0 . . . A . 7 TRP C . . A . 8 CYS N . . A . 8 CYS CA . . A . 8 CYS C . . . 8 CYSS . . . . . . 8 CYSS . . . . . . 8 CYSS . . . . . . 8 CYSS . . . c19130_2m6e 1
5 CHI1 . 1 1 8 8 CYS N N . . 1 1 8 8 CYS CA C . . 1 1 8 8 CYS CB C . . 1 1 8 8 CYS SG S . -90.0 -30.0 . . . A . 8 CYS N . . A . 8 CYS CA . . A . 8 CYS CB . . A . 8 CYS SG . . . 8 CYSS . . . . . . 8 CYSS . . . . . . 8 CYSS . . . . . . 8 CYSS . . . c19130_2m6e 1
stop_
loop_
_TA_constraint_conv_err.ID
_TA_constraint_conv_err.Parse_file_ID
_TA_constraint_conv_err.Parse_file_constraint_ID
_TA_constraint_conv_err.Conv_error_type
_TA_constraint_conv_err.Conv_error_note
_TA_constraint_conv_err.Entry_ID
_TA_constraint_conv_err.Torsion_angle_constraint_list_ID
1 2 3 1 "Not handling restraint 3, resonance(s) ' .4.C' (nmrStar names) not linked" c19130_2m6e 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_framecode MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID c19130_2m6e
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details 'Generated by Wattos'
_Org_constr_file_comment.Comment '*HEADER TOXIN 29-MAR-13 2M6E *TITLE NMR SOLUTION STRUCTURE OF CIS (MINOR) FORM OF IN936 IN METHANOL *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CONTRYPHAN-IN; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: CONUS INSCRIPTUS; *SOURCE 4 ORGANISM_COMMON: ENGRAVED CONE; *SOURCE 5 ORGANISM_TAXID: 257329 *KEYWDS CIS IN936, METHANOL, TOXIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR R.SONTI *REVDAT 1 30-OCT-13 2M6E 0'
save_