data_c30557_6nm2
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID c30557_6nm2
_Entry.Title
;
NMR Structure of WW291
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2019-01-10
_Entry.Accession_date 2019-01-10
_Entry.Last_release_date 2019-03-07
_Entry.Original_release_date 2019-03-07
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.6.0
_Entry.NMR_STAR_dict_location .
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype SOLUTION
_Entry.Source_data_format .
_Entry.Source_data_format_version .
_Entry.Generated_software_name .
_Entry.Generated_software_version .
_Entry.Generated_software_ID .
_Entry.Generated_software_label .
_Entry.Generated_date .
_Entry.DOI .
_Entry.UUID .
_Entry.Related_coordinate_file_name .
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_experimental_methods.ID
_Entry_experimental_methods.Method
_Entry_experimental_methods.Subtype
_Entry_experimental_methods.Entry_ID
1 'SOLUTION NMR' 'SOLUTION NMR' c30557_6nm2
stop_
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.ORCID
_Entry_author.Entry_ID
1 G. Wang G. . . . c30557_6nm2
2 D. Zarena D. . . . c30557_6nm2
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
'ANTIMICROBIAL PROTEIN' . c30557_6nm2
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 c30557_6nm2
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 46 c30557_6nm2
'15N chemical shifts' 11 c30557_6nm2
'1H chemical shifts' 79 c30557_6nm2
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 . . 2020-07-13 . original BMRB . c30557_6nm2
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 6NM2 . c30557_6nm2
stop_
save_
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID c30557_6nm2
_Citation.ID 1
_Citation.Name .
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.PubMed_ID .
_Citation.DOI .
_Citation.Full_citation .
_Citation.Title
;
NMR Structure of WW291
;
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev .
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD 0353
_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 .
_Citation.Page_last .
_Citation.Year .
_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.ORCID
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 G. Wang G. . . . c30557_6nm2 1
2 D. Zarena D. . . . c30557_6nm2 1
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID c30557_6nm2
_Assembly.ID 1
_Assembly.Name 'WW291 peptide'
_Assembly.BMRB_code .
_Assembly.Number_of_components .
_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 entity_1 1 $entity_1 A A yes . . . . . . c30557_6nm2 1
stop_
save_
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID c30557_6nm2
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name entity_1
_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
;
WWWLRKIWX
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality .
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 9
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method syn
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 1273.551
_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 . TRP . c30557_6nm2 1
2 . TRP . c30557_6nm2 1
3 . TRP . c30557_6nm2 1
4 . LEU . c30557_6nm2 1
5 . ARG . c30557_6nm2 1
6 . LYS . c30557_6nm2 1
7 . ILE . c30557_6nm2 1
8 . TRP . c30557_6nm2 1
9 . NH2 . c30557_6nm2 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
. TRP 1 1 c30557_6nm2 1
. TRP 2 2 c30557_6nm2 1
. TRP 3 3 c30557_6nm2 1
. LEU 4 4 c30557_6nm2 1
. ARG 5 5 c30557_6nm2 1
. LYS 6 6 c30557_6nm2 1
. ILE 7 7 c30557_6nm2 1
. TRP 8 8 c30557_6nm2 1
. NH2 9 9 c30557_6nm2 1
stop_
save_
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 c30557_6nm2
_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.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.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Details
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $entity_1 . 32630 'no natural source' . 'synthetic construct' . . . . . . . . . . . . . . . . . . . . c30557_6nm2 1
stop_
save_
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 c30557_6nm2
_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_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.Details
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . c30557_6nm2 1
stop_
save_
save_chem_comp_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_NH2
_Chem_comp.Entry_ID c30557_6nm2
_Chem_comp.ID NH2
_Chem_comp.Provenance PDB
_Chem_comp.Name 'AMINO GROUP'
_Chem_comp.Type NON-POLYMER
_Chem_comp.BMRB_code NH2
_Chem_comp.PDB_code NH2
_Chem_comp.Ambiguous_flag yes
_Chem_comp.Initial_date 2012-11-20
_Chem_comp.Modified_date 2012-11-20
_Chem_comp.Release_status REL
_Chem_comp.Replaced_by .
_Chem_comp.Replaces .
_Chem_comp.One_letter_code .
_Chem_comp.Three_letter_code NH2
_Chem_comp.Number_atoms_all 3
_Chem_comp.Number_atoms_nh 1
_Chem_comp.Atom_nomenclature_source .
_Chem_comp.PubChem_code .
_Chem_comp.Subcomponent_list .
_Chem_comp.InChI_code InChI=1/H3N/h1H3
_Chem_comp.Mon_nstd_flag .
_Chem_comp.Mon_nstd_class .
_Chem_comp.Mon_nstd_details .
_Chem_comp.Mon_nstd_parent .
_Chem_comp.Mon_nstd_parent_comp_ID .
_Chem_comp.Std_deriv_one_letter_code .
_Chem_comp.Std_deriv_three_letter_code .
_Chem_comp.Std_deriv_BMRB_code .
_Chem_comp.Std_deriv_PDB_code .
_Chem_comp.Std_deriv_chem_comp_name .
_Chem_comp.Synonyms .
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic .
_Chem_comp.Aromatic no
_Chem_comp.Formula 'H2 N'
_Chem_comp.Formula_weight 16.023
_Chem_comp.Formula_mono_iso_wt_nat .
_Chem_comp.Formula_mono_iso_wt_13C .
_Chem_comp.Formula_mono_iso_wt_15N .
_Chem_comp.Formula_mono_iso_wt_13C_15N .
_Chem_comp.Image_file_name .
_Chem_comp.Image_file_format .
_Chem_comp.Topo_file_name .
_Chem_comp.Topo_file_format .
_Chem_comp.Struct_file_name .
_Chem_comp.Struct_file_format .
_Chem_comp.Stereochem_param_file_name .
_Chem_comp.Stereochem_param_file_format .
_Chem_comp.Model_details .
_Chem_comp.Model_erf .
_Chem_comp.Model_source .
_Chem_comp.Model_coordinates_details .
_Chem_comp.Model_coordinates_missing_flag no
_Chem_comp.Ideal_coordinates_details 'OpenEye OEToolkits'
_Chem_comp.Ideal_coordinates_missing_flag no
_Chem_comp.Model_coordinates_db_code 2FLY
_Chem_comp.Processing_site RCSB
_Chem_comp.Vendor .
_Chem_comp.Vendor_product_code .
_Chem_comp.Details .
_Chem_comp.DB_query_date .
_Chem_comp.DB_last_query_revised_last_date .
loop_
_Chem_comp_descriptor.Descriptor
_Chem_comp_descriptor.Type
_Chem_comp_descriptor.Program
_Chem_comp_descriptor.Program_version
_Chem_comp_descriptor.Entry_ID
_Chem_comp_descriptor.Comp_ID
InChI=1/H3N/h1H3 InChI InChI 1.02b c30557_6nm2 NH2
N SMILES ACDLabs 10.04 c30557_6nm2 NH2
QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b c30557_6nm2 NH2
[NH2] SMILES CACTVS 3.341 c30557_6nm2 NH2
[NH2] SMILES 'OpenEye OEToolkits' 1.5.0 c30557_6nm2 NH2
[NH2] SMILES_CANONICAL CACTVS 3.341 c30557_6nm2 NH2
[NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30557_6nm2 NH2
stop_
loop_
_Chem_comp_identifier.Identifier
_Chem_comp_identifier.Type
_Chem_comp_identifier.Program
_Chem_comp_identifier.Program_version
_Chem_comp_identifier.Entry_ID
_Chem_comp_identifier.Comp_ID
ammonia 'SYSTEMATIC NAME' ACDLabs 10.04 c30557_6nm2 NH2
l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30557_6nm2 NH2
stop_
loop_
_Chem_comp_atom.Atom_ID
_Chem_comp_atom.BMRB_code
_Chem_comp_atom.PDB_atom_ID
_Chem_comp_atom.Alt_atom_ID
_Chem_comp_atom.Auth_atom_ID
_Chem_comp_atom.Type_symbol
_Chem_comp_atom.Isotope_number
_Chem_comp_atom.Chirality
_Chem_comp_atom.Stereo_config
_Chem_comp_atom.Charge
_Chem_comp_atom.Partial_charge
_Chem_comp_atom.Oxidation_number
_Chem_comp_atom.Unpaired_electron_number
_Chem_comp_atom.Align
_Chem_comp_atom.Aromatic_flag
_Chem_comp_atom.Leaving_atom_flag
_Chem_comp_atom.Substruct_code
_Chem_comp_atom.Ionizable
_Chem_comp_atom.Drawing_2D_coord_x
_Chem_comp_atom.Drawing_2D_coord_y
_Chem_comp_atom.Model_Cartn_x
_Chem_comp_atom.Model_Cartn_x_esd
_Chem_comp_atom.Model_Cartn_y
_Chem_comp_atom.Model_Cartn_y_esd
_Chem_comp_atom.Model_Cartn_z
_Chem_comp_atom.Model_Cartn_z_esd
_Chem_comp_atom.Model_Cartn_x_ideal
_Chem_comp_atom.Model_Cartn_y_ideal
_Chem_comp_atom.Model_Cartn_z_ideal
_Chem_comp_atom.PDBX_ordinal
_Chem_comp_atom.Details
_Chem_comp_atom.Entry_ID
_Chem_comp_atom.Comp_ID
N N N N . N . . N 0 . . . 1 no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . c30557_6nm2 NH2
HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . c30557_6nm2 NH2
HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . c30557_6nm2 NH2
stop_
loop_
_Chem_comp_bond.ID
_Chem_comp_bond.Type
_Chem_comp_bond.Value_order
_Chem_comp_bond.Atom_ID_1
_Chem_comp_bond.Atom_ID_2
_Chem_comp_bond.Aromatic_flag
_Chem_comp_bond.Stereo_config
_Chem_comp_bond.Ordinal
_Chem_comp_bond.Details
_Chem_comp_bond.Entry_ID
_Chem_comp_bond.Comp_ID
1 . SING N HN1 no N 1 . c30557_6nm2 NH2
2 . SING N HN2 no N 2 . c30557_6nm2 NH2
stop_
save_
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID c30557_6nm2
_Sample.ID 1
_Sample.Name .
_Sample.Type micelle
_Sample.Sub_type .
_Sample.Details '4.0 mM WW291, 90% H2O/10% D2O'
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_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 WW291 'natural abundance' . . 1 $entity_1 . . 4.0 . . mM 0.1 . . . c30557_6nm2 1
stop_
save_
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID c30557_6nm2
_Sample_condition_list.ID 1
_Sample_condition_list.Name .
_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
pH 6.2 0.1 pH c30557_6nm2 1
pressure 1 0.01 atm c30557_6nm2 1
temperature 298 0.2 K c30557_6nm2 1
stop_
save_
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID c30557_6nm2
_Software.ID 1
_Software.Type .
_Software.Name NMRPipe
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . c30557_6nm2 1
stop_
loop_
_Task.Software_module
_Task.Task
_Task.Entry_ID
_Task.Software_ID
. 'data analysis' c30557_6nm2 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID c30557_6nm2
_Software.ID 2
_Software.Type .
_Software.Name Xplor-NIH
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Schwieters, Kuszewski, Tjandra and Clore' . . c30557_6nm2 2
stop_
loop_
_Task.Software_module
_Task.Task
_Task.Entry_ID
_Task.Software_ID
. refinement c30557_6nm2 2
. 'structure calculation' c30557_6nm2 2
stop_
save_
save_software_3
_Software.Sf_category software
_Software.Sf_framecode software_3
_Software.Entry_ID c30557_6nm2
_Software.ID 3
_Software.Type .
_Software.Name PIPP
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Garrett . . c30557_6nm2 3
stop_
loop_
_Task.Software_module
_Task.Task
_Task.Entry_ID
_Task.Software_ID
. 'chemical shift assignment' c30557_6nm2 3
. 'peak picking' c30557_6nm2 3
stop_
save_
save_NMR_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_1
_NMR_spectrometer.Entry_ID c30557_6nm2
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name .
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
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 c30557_6nm2
_NMR_spectrometer_list.ID 1
_NMR_spectrometer_list.Name .
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 NMR_spectrometer_1 Bruker Avance . 600 . . . c30557_6nm2 1
stop_
save_
save_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list
_Experiment_list.Entry_ID c30557_6nm2
_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 NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30557_6nm2 1
2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30557_6nm2 1
3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30557_6nm2 1
4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30557_6nm2 1
5 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30557_6nm2 1
stop_
save_
save_chem_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chem_shift_reference_1
_Chem_shift_reference.Entry_ID c30557_6nm2
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name .
_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.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . c30557_6nm2 1
H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . c30557_6nm2 1
N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . c30557_6nm2 1
stop_
save_
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID c30557_6nm2
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 $chem_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 NOESY' . . . c30557_6nm2 1
2 '2D 1H-1H TOCSY' . . . c30557_6nm2 1
3 '2D DQF-COSY' . . . c30557_6nm2 1
4 '2D 1H-15N HSQC' . . . c30557_6nm2 1
5 '2D 1H-13C HSQC' . . . c30557_6nm2 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_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 TRP HA H 1 3.5887 . . . . . . . A 1 TRP HA . c30557_6nm2 1
2 . 1 . 1 1 1 TRP HB2 H 1 2.4901 . . . . . . . A 1 TRP HB2 . c30557_6nm2 1
3 . 1 . 1 1 1 TRP HB3 H 1 2.8285 . . . . . . . A 1 TRP HB3 . c30557_6nm2 1
4 . 1 . 1 1 1 TRP HD1 H 1 7.3610 . . . . . . . A 1 TRP HD1 . c30557_6nm2 1
5 . 1 . 1 1 1 TRP HE1 H 1 10.7497 . . . . . . . A 1 TRP HE1 . c30557_6nm2 1
6 . 1 . 1 1 1 TRP HE3 H 1 7.2320 . . . . . . . A 1 TRP HE3 . c30557_6nm2 1
7 . 1 . 1 1 1 TRP HZ2 H 1 7.4805 . . . . . . . A 1 TRP HZ2 . c30557_6nm2 1
8 . 1 . 1 1 1 TRP HZ3 H 1 6.9695 . . . . . . . A 1 TRP HZ3 . c30557_6nm2 1
9 . 1 . 1 1 1 TRP HH2 H 1 7.0750 . . . . . . . A 1 TRP HH2 . c30557_6nm2 1
10 . 1 . 1 1 1 TRP CA C 13 57.2218 . . . . . . . A 1 TRP CA . c30557_6nm2 1
11 . 1 . 1 1 1 TRP CB C 13 32.0444 . . . . . . . A 1 TRP CB . c30557_6nm2 1
12 . 1 . 1 1 1 TRP CD1 C 13 127.5395 . . . . . . . A 1 TRP CD1 . c30557_6nm2 1
13 . 1 . 1 1 1 TRP CE3 C 13 121.1824 . . . . . . . A 1 TRP CE3 . c30557_6nm2 1
14 . 1 . 1 1 1 TRP CZ2 C 13 114.7493 . . . . . . . A 1 TRP CZ2 . c30557_6nm2 1
15 . 1 . 1 1 1 TRP CZ3 C 13 121.3796 . . . . . . . A 1 TRP CZ3 . c30557_6nm2 1
16 . 1 . 1 1 1 TRP CH2 C 13 124.0601 . . . . . . . A 1 TRP CH2 . c30557_6nm2 1
17 . 1 . 1 1 1 TRP NE1 N 15 131.1013 . . . . . . . A 1 TRP NE1 . c30557_6nm2 1
18 . 1 . 1 2 2 TRP HA H 1 4.3027 . . . . . . . A 2 TRP HA . c30557_6nm2 1
19 . 1 . 1 2 2 TRP HB2 H 1 3.3565 . . . . . . . A 2 TRP HB2 . c30557_6nm2 1
20 . 1 . 1 2 2 TRP HB3 H 1 3.3914 . . . . . . . A 2 TRP HB3 . c30557_6nm2 1
21 . 1 . 1 2 2 TRP HD1 H 1 7.5273 . . . . . . . A 2 TRP HD1 . c30557_6nm2 1
22 . 1 . 1 2 2 TRP HE1 H 1 10.9549 . . . . . . . A 2 TRP HE1 . c30557_6nm2 1
23 . 1 . 1 2 2 TRP HE3 H 1 7.4085 . . . . . . . A 2 TRP HE3 . c30557_6nm2 1
24 . 1 . 1 2 2 TRP HZ2 H 1 7.5728 . . . . . . . A 2 TRP HZ2 . c30557_6nm2 1
25 . 1 . 1 2 2 TRP HZ3 H 1 7.0515 . . . . . . . A 2 TRP HZ3 . c30557_6nm2 1
26 . 1 . 1 2 2 TRP HH2 H 1 7.2030 . . . . . . . A 2 TRP HH2 . c30557_6nm2 1
27 . 1 . 1 2 2 TRP CA C 13 59.3027 . . . . . . . A 2 TRP CA . c30557_6nm2 1
28 . 1 . 1 2 2 TRP CB C 13 28.3175 . . . . . . . A 2 TRP CB . c30557_6nm2 1
29 . 1 . 1 2 2 TRP CD1 C 13 128.3566 . . . . . . . A 2 TRP CD1 . c30557_6nm2 1
30 . 1 . 1 2 2 TRP CE3 C 13 120.8729 . . . . . . . A 2 TRP CE3 . c30557_6nm2 1
31 . 1 . 1 2 2 TRP CZ2 C 13 115.2332 . . . . . . . A 2 TRP CZ2 . c30557_6nm2 1
32 . 1 . 1 2 2 TRP CZ3 C 13 121.8557 . . . . . . . A 2 TRP CZ3 . c30557_6nm2 1
33 . 1 . 1 2 2 TRP CH2 C 13 124.6161 . . . . . . . A 2 TRP CH2 . c30557_6nm2 1
34 . 1 . 1 2 2 TRP NE1 N 15 131.9467 . . . . . . . A 2 TRP NE1 . c30557_6nm2 1
35 . 1 . 1 3 3 TRP H H 1 6.6149 . . . . . . . A 3 TRP H . c30557_6nm2 1
36 . 1 . 1 3 3 TRP HA H 1 3.9303 . . . . . . . A 3 TRP HA . c30557_6nm2 1
37 . 1 . 1 3 3 TRP HB2 H 1 1.9836 . . . . . . . A 3 TRP HB2 . c30557_6nm2 1
38 . 1 . 1 3 3 TRP HB3 H 1 2.9064 . . . . . . . A 3 TRP HB3 . c30557_6nm2 1
39 . 1 . 1 3 3 TRP HD1 H 1 6.4907 . . . . . . . A 3 TRP HD1 . c30557_6nm2 1
40 . 1 . 1 3 3 TRP HE1 H 1 10.4270 . . . . . . . A 3 TRP HE1 . c30557_6nm2 1
41 . 1 . 1 3 3 TRP HE3 H 1 7.0720 . . . . . . . A 3 TRP HE3 . c30557_6nm2 1
42 . 1 . 1 3 3 TRP HZ2 H 1 7.0104 . . . . . . . A 3 TRP HZ2 . c30557_6nm2 1
43 . 1 . 1 3 3 TRP HZ3 H 1 6.8225 . . . . . . . A 3 TRP HZ3 . c30557_6nm2 1
44 . 1 . 1 3 3 TRP HH2 H 1 6.8425 . . . . . . . A 3 TRP HH2 . c30557_6nm2 1
45 . 1 . 1 3 3 TRP CA C 13 57.1829 . . . . . . . A 3 TRP CA . c30557_6nm2 1
46 . 1 . 1 3 3 TRP CB C 13 27.6919 . . . . . . . A 3 TRP CB . c30557_6nm2 1
47 . 1 . 1 3 3 TRP CD1 C 13 127.2193 . . . . . . . A 3 TRP CD1 . c30557_6nm2 1
48 . 1 . 1 3 3 TRP CE3 C 13 120.7767 . . . . . . . A 3 TRP CE3 . c30557_6nm2 1
49 . 1 . 1 3 3 TRP CZ2 C 13 114.7721 . . . . . . . A 3 TRP CZ2 . c30557_6nm2 1
50 . 1 . 1 3 3 TRP CZ3 C 13 121.7382 . . . . . . . A 3 TRP CZ3 . c30557_6nm2 1
51 . 1 . 1 3 3 TRP CH2 C 13 124.1556 . . . . . . . A 3 TRP CH2 . c30557_6nm2 1
52 . 1 . 1 3 3 TRP N N 15 119.0160 . . . . . . . A 3 TRP N . c30557_6nm2 1
53 . 1 . 1 3 3 TRP NE1 N 15 131.2832 . . . . . . . A 3 TRP NE1 . c30557_6nm2 1
54 . 1 . 1 4 4 LEU H H 1 6.8911 . . . . . . . A 4 LEU H . c30557_6nm2 1
55 . 1 . 1 4 4 LEU HA H 1 3.9720 . . . . . . . A 4 LEU HA . c30557_6nm2 1
56 . 1 . 1 4 4 LEU HB2 H 1 1.2640 . . . . . . . A 4 LEU HB2 . c30557_6nm2 1
57 . 1 . 1 4 4 LEU HB3 H 1 1.4390 . . . . . . . A 4 LEU HB3 . c30557_6nm2 1
58 . 1 . 1 4 4 LEU HD11 H 1 0.7670 . . . . . . . A 4 LEU HD11 . c30557_6nm2 1
59 . 1 . 1 4 4 LEU HD12 H 1 0.7670 . . . . . . . A 4 LEU HD12 . c30557_6nm2 1
60 . 1 . 1 4 4 LEU HD13 H 1 0.7670 . . . . . . . A 4 LEU HD13 . c30557_6nm2 1
61 . 1 . 1 4 4 LEU HD21 H 1 0.8590 . . . . . . . A 4 LEU HD21 . c30557_6nm2 1
62 . 1 . 1 4 4 LEU HD22 H 1 0.8590 . . . . . . . A 4 LEU HD22 . c30557_6nm2 1
63 . 1 . 1 4 4 LEU HD23 H 1 0.8590 . . . . . . . A 4 LEU HD23 . c30557_6nm2 1
64 . 1 . 1 4 4 LEU CA C 13 57.1662 . . . . . . . A 4 LEU CA . c30557_6nm2 1
65 . 1 . 1 4 4 LEU CB C 13 41.9176 . . . . . . . A 4 LEU CB . c30557_6nm2 1
66 . 1 . 1 4 4 LEU CD1 C 13 24.7559 . . . . . . . A 4 LEU CD1 . c30557_6nm2 1
67 . 1 . 1 4 4 LEU CD2 C 13 25.2393 . . . . . . . A 4 LEU CD2 . c30557_6nm2 1
68 . 1 . 1 4 4 LEU N N 15 121.2910 . . . . . . . A 4 LEU N . c30557_6nm2 1
69 . 1 . 1 5 5 ARG H H 1 7.6024 . . . . . . . A 5 ARG H . c30557_6nm2 1
70 . 1 . 1 5 5 ARG HA H 1 4.0050 . . . . . . . A 5 ARG HA . c30557_6nm2 1
71 . 1 . 1 5 5 ARG HB2 H 1 1.8290 . . . . . . . A 5 ARG HB2 . c30557_6nm2 1
72 . 1 . 1 5 5 ARG HB3 H 1 1.9060 . . . . . . . A 5 ARG HB3 . c30557_6nm2 1
73 . 1 . 1 5 5 ARG HG2 H 1 1.6585 . . . . . . . A 5 ARG HG2 . c30557_6nm2 1
74 . 1 . 1 5 5 ARG HG3 H 1 1.6585 . . . . . . . A 5 ARG HG3 . c30557_6nm2 1
75 . 1 . 1 5 5 ARG HD2 H 1 3.1650 . . . . . . . A 5 ARG HD2 . c30557_6nm2 1
76 . 1 . 1 5 5 ARG HD3 H 1 3.1650 . . . . . . . A 5 ARG HD3 . c30557_6nm2 1
77 . 1 . 1 5 5 ARG CA C 13 58.1798 . . . . . . . A 5 ARG CA . c30557_6nm2 1
78 . 1 . 1 5 5 ARG CB C 13 30.0806 . . . . . . . A 5 ARG CB . c30557_6nm2 1
79 . 1 . 1 5 5 ARG CG C 13 27.7459 . . . . . . . A 5 ARG CG . c30557_6nm2 1
80 . 1 . 1 5 5 ARG CD C 13 43.4806 . . . . . . . A 5 ARG CD . c30557_6nm2 1
81 . 1 . 1 5 5 ARG N N 15 116.4023 . . . . . . . A 5 ARG N . c30557_6nm2 1
82 . 1 . 1 6 6 LYS H H 1 7.7287 . . . . . . . A 6 LYS H . c30557_6nm2 1
83 . 1 . 1 6 6 LYS HA H 1 4.1090 . . . . . . . A 6 LYS HA . c30557_6nm2 1
84 . 1 . 1 6 6 LYS HB2 H 1 1.8730 . . . . . . . A 6 LYS HB2 . c30557_6nm2 1
85 . 1 . 1 6 6 LYS HB3 H 1 1.8730 . . . . . . . A 6 LYS HB3 . c30557_6nm2 1
86 . 1 . 1 6 6 LYS HG2 H 1 1.4655 . . . . . . . A 6 LYS HG2 . c30557_6nm2 1
87 . 1 . 1 6 6 LYS HG3 H 1 1.4655 . . . . . . . A 6 LYS HG3 . c30557_6nm2 1
88 . 1 . 1 6 6 LYS HD2 H 1 1.7390 . . . . . . . A 6 LYS HD2 . c30557_6nm2 1
89 . 1 . 1 6 6 LYS HD3 H 1 1.7390 . . . . . . . A 6 LYS HD3 . c30557_6nm2 1
90 . 1 . 1 6 6 LYS HE2 H 1 2.9880 . . . . . . . A 6 LYS HE2 . c30557_6nm2 1
91 . 1 . 1 6 6 LYS HE3 H 1 2.9880 . . . . . . . A 6 LYS HE3 . c30557_6nm2 1
92 . 1 . 1 6 6 LYS CA C 13 57.6041 . . . . . . . A 6 LYS CA . c30557_6nm2 1
93 . 1 . 1 6 6 LYS CB C 13 32.4357 . . . . . . . A 6 LYS CB . c30557_6nm2 1
94 . 1 . 1 6 6 LYS CG C 13 25.0450 . . . . . . . A 6 LYS CG . c30557_6nm2 1
95 . 1 . 1 6 6 LYS CD C 13 28.9688 . . . . . . . A 6 LYS CD . c30557_6nm2 1
96 . 1 . 1 6 6 LYS CE C 13 42.0750 . . . . . . . A 6 LYS CE . c30557_6nm2 1
97 . 1 . 1 6 6 LYS N N 15 117.4544 . . . . . . . A 6 LYS N . c30557_6nm2 1
98 . 1 . 1 7 7 ILE H H 1 7.4775 . . . . . . . A 7 ILE H . c30557_6nm2 1
99 . 1 . 1 7 7 ILE HA H 1 3.9740 . . . . . . . A 7 ILE HA . c30557_6nm2 1
100 . 1 . 1 7 7 ILE HB H 1 1.9150 . . . . . . . A 7 ILE HB . c30557_6nm2 1
101 . 1 . 1 7 7 ILE HG12 H 1 1.2435 . . . . . . . A 7 ILE HG12 . c30557_6nm2 1
102 . 1 . 1 7 7 ILE HG13 H 1 1.6130 . . . . . . . A 7 ILE HG13 . c30557_6nm2 1
103 . 1 . 1 7 7 ILE HG21 H 1 0.7865 . . . . . . . A 7 ILE HG21 . c30557_6nm2 1
104 . 1 . 1 7 7 ILE HG22 H 1 0.7865 . . . . . . . A 7 ILE HG22 . c30557_6nm2 1
105 . 1 . 1 7 7 ILE HG23 H 1 0.7865 . . . . . . . A 7 ILE HG23 . c30557_6nm2 1
106 . 1 . 1 7 7 ILE HD11 H 1 0.8970 . . . . . . . A 7 ILE HD11 . c30557_6nm2 1
107 . 1 . 1 7 7 ILE HD12 H 1 0.8970 . . . . . . . A 7 ILE HD12 . c30557_6nm2 1
108 . 1 . 1 7 7 ILE HD13 H 1 0.8970 . . . . . . . A 7 ILE HD13 . c30557_6nm2 1
109 . 1 . 1 7 7 ILE CA C 13 63.1688 . . . . . . . A 7 ILE CA . c30557_6nm2 1
110 . 1 . 1 7 7 ILE CB C 13 38.6928 . . . . . . . A 7 ILE CB . c30557_6nm2 1
111 . 1 . 1 7 7 ILE CG1 C 13 27.5902 . . . . . . . A 7 ILE CG1 . c30557_6nm2 1
112 . 1 . 1 7 7 ILE CG2 C 13 17.8126 . . . . . . . A 7 ILE CG2 . c30557_6nm2 1
113 . 1 . 1 7 7 ILE CD1 C 13 13.8873 . . . . . . . A 7 ILE CD1 . c30557_6nm2 1
114 . 1 . 1 7 7 ILE N N 15 116.0646 . . . . . . . A 7 ILE N . c30557_6nm2 1
115 . 1 . 1 8 8 TRP H H 1 7.5899 . . . . . . . A 8 TRP H . c30557_6nm2 1
116 . 1 . 1 8 8 TRP HA H 1 4.5730 . . . . . . . A 8 TRP HA . c30557_6nm2 1
117 . 1 . 1 8 8 TRP HB2 H 1 3.1471 . . . . . . . A 8 TRP HB2 . c30557_6nm2 1
118 . 1 . 1 8 8 TRP HB3 H 1 3.2581 . . . . . . . A 8 TRP HB3 . c30557_6nm2 1
119 . 1 . 1 8 8 TRP HD1 H 1 7.2407 . . . . . . . A 8 TRP HD1 . c30557_6nm2 1
120 . 1 . 1 8 8 TRP HE1 H 1 10.5545 . . . . . . . A 8 TRP HE1 . c30557_6nm2 1
121 . 1 . 1 8 8 TRP HE3 H 1 7.5050 . . . . . . . A 8 TRP HE3 . c30557_6nm2 1
122 . 1 . 1 8 8 TRP HZ2 H 1 7.4389 . . . . . . . A 8 TRP HZ2 . c30557_6nm2 1
123 . 1 . 1 8 8 TRP HZ3 H 1 6.9700 . . . . . . . A 8 TRP HZ3 . c30557_6nm2 1
124 . 1 . 1 8 8 TRP HH2 H 1 7.0610 . . . . . . . A 8 TRP HH2 . c30557_6nm2 1
125 . 1 . 1 8 8 TRP CA C 13 57.8159 . . . . . . . A 8 TRP CA . c30557_6nm2 1
126 . 1 . 1 8 8 TRP CB C 13 30.5187 . . . . . . . A 8 TRP CB . c30557_6nm2 1
127 . 1 . 1 8 8 TRP CD1 C 13 127.2991 . . . . . . . A 8 TRP CD1 . c30557_6nm2 1
128 . 1 . 1 8 8 TRP CE3 C 13 120.7457 . . . . . . . A 8 TRP CE3 . c30557_6nm2 1
129 . 1 . 1 8 8 TRP CZ2 C 13 114.7185 . . . . . . . A 8 TRP CZ2 . c30557_6nm2 1
130 . 1 . 1 8 8 TRP CZ3 C 13 121.5091 . . . . . . . A 8 TRP CZ3 . c30557_6nm2 1
131 . 1 . 1 8 8 TRP CH2 C 13 124.0080 . . . . . . . A 8 TRP CH2 . c30557_6nm2 1
132 . 1 . 1 8 8 TRP N N 15 119.0111 . . . . . . . A 8 TRP N . c30557_6nm2 1
133 . 1 . 1 8 8 TRP NE1 N 15 130.1639 . . . . . . . A 8 TRP NE1 . c30557_6nm2 1
134 . 1 . 1 9 9 NH2 N N 15 106.0312 . . . . . . . A 9 NH2 N . c30557_6nm2 1
135 . 1 . 1 9 9 NH2 HN1 H 1 7.2180 . . . . . . . A 9 NH2 HN1 . c30557_6nm2 1
136 . 1 . 1 9 9 NH2 HN2 H 1 7.0380 . . . . . . . A 9 NH2 HN2 . c30557_6nm2 1
stop_
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID c30557_6nm2
_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 5
save_
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 c30557_6nm2
_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 . . . c30557_6nm2 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
. . . . c30557_6nm2 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 TRP C C -3.787 2.924 2.110 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30557_6nm2 1
. 1 . 2 . 1 1 1 TRP CA C -4.801 2.870 0.974 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30557_6nm2 1
. 1 . 3 . 1 1 1 TRP CB C -4.474 1.669 0.083 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30557_6nm2 1
. 1 . 4 . 1 1 1 TRP CD1 C -6.387 0.751 -1.267 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30557_6nm2 1
. 1 . 5 . 1 1 1 TRP CD2 C -5.384 2.499 -2.244 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30557_6nm2 1
. 1 . 6 . 1 1 1 TRP CE2 C -6.428 2.103 -3.110 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30557_6nm2 1
. 1 . 7 . 1 1 1 TRP CE3 C -4.584 3.582 -2.616 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30557_6nm2 1
. 1 . 8 . 1 1 1 TRP CG C -5.386 1.636 -1.087 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30557_6nm2 1
. 1 . 9 . 1 1 1 TRP CH2 C -5.853 3.848 -4.670 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30557_6nm2 1
. 1 . 10 . 1 1 1 TRP CZ2 C -6.666 2.768 -4.314 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30557_6nm2 1
. 1 . 11 . 1 1 1 TRP CZ3 C -4.813 4.250 -3.817 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30557_6nm2 1
. 1 . 12 . 1 1 1 TRP H1 H -5.010 4.931 0.760 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c30557_6nm2 1
. 1 . 13 . 1 1 1 TRP H2 H -5.341 4.050 -0.654 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H2 . . . . . . . . . c30557_6nm2 1
. 1 . 14 . 1 1 1 TRP H3 H -3.736 4.268 -0.142 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H3 . . . . . . . . . c30557_6nm2 1
. 1 . 15 . 1 1 1 TRP HA H -5.796 2.766 1.369 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30557_6nm2 1
. 1 . 16 . 1 1 1 TRP HB2 H -3.459 1.756 -0.259 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30557_6nm2 1
. 1 . 17 . 1 1 1 TRP HB3 H -4.581 0.757 0.644 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30557_6nm2 1
. 1 . 18 . 1 1 1 TRP HD1 H -6.652 -0.040 -0.583 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30557_6nm2 1
. 1 . 19 . 1 1 1 TRP HE1 H -7.780 0.538 -2.837 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30557_6nm2 1
. 1 . 20 . 1 1 1 TRP HE3 H -3.779 3.901 -1.972 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30557_6nm2 1
. 1 . 21 . 1 1 1 TRP HH2 H -6.024 4.371 -5.600 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30557_6nm2 1
. 1 . 22 . 1 1 1 TRP HZ2 H -7.469 2.451 -4.963 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30557_6nm2 1
. 1 . 23 . 1 1 1 TRP HZ3 H -4.183 5.074 -4.085 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30557_6nm2 1
. 1 . 24 . 1 1 1 TRP N N -4.715 4.124 0.174 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30557_6nm2 1
. 1 . 25 . 1 1 1 TRP NE1 N -7.016 1.029 -2.469 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30557_6nm2 1
. 1 . 26 . 1 1 1 TRP O O -3.690 3.910 2.839 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30557_6nm2 1
. 1 . 27 . 1 1 2 TRP C C -1.050 0.603 2.839 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c30557_6nm2 1
. 1 . 28 . 1 1 2 TRP CA C -1.986 1.726 3.234 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c30557_6nm2 1
. 1 . 29 . 1 1 2 TRP CB C -2.587 1.451 4.601 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c30557_6nm2 1
. 1 . 30 . 1 1 2 TRP CD1 C -4.580 -0.032 4.258 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c30557_6nm2 1
. 1 . 31 . 1 1 2 TRP CD2 C -2.718 -1.148 4.783 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c30557_6nm2 1
. 1 . 32 . 1 1 2 TRP CE2 C -3.726 -2.120 4.632 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c30557_6nm2 1
. 1 . 33 . 1 1 2 TRP CE3 C -1.430 -1.555 5.112 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c30557_6nm2 1
. 1 . 34 . 1 1 2 TRP CG C -3.283 0.151 4.551 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c30557_6nm2 1
. 1 . 35 . 1 1 2 TRP CH2 C -2.161 -3.879 5.141 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c30557_6nm2 1
. 1 . 36 . 1 1 2 TRP CZ2 C -3.458 -3.476 4.807 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c30557_6nm2 1
. 1 . 37 . 1 1 2 TRP CZ3 C -1.145 -2.920 5.291 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c30557_6nm2 1
. 1 . 38 . 1 1 2 TRP H H -3.153 1.107 1.594 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c30557_6nm2 1
. 1 . 39 . 1 1 2 TRP HA H -1.428 2.633 3.275 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c30557_6nm2 1
. 1 . 40 . 1 1 2 TRP HB2 H -1.801 1.412 5.341 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c30557_6nm2 1
. 1 . 41 . 1 1 2 TRP HB3 H -3.282 2.222 4.858 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c30557_6nm2 1
. 1 . 42 . 1 1 2 TRP HD1 H -5.283 0.751 4.023 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c30557_6nm2 1
. 1 . 43 . 1 1 2 TRP HE1 H -5.721 -1.795 4.132 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c30557_6nm2 1
. 1 . 44 . 1 1 2 TRP HE3 H -0.653 -0.803 5.214 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c30557_6nm2 1
. 1 . 45 . 1 1 2 TRP HH2 H -1.941 -4.925 5.277 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c30557_6nm2 1
. 1 . 46 . 1 1 2 TRP HZ2 H -4.242 -4.207 4.689 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c30557_6nm2 1
. 1 . 47 . 1 1 2 TRP HZ3 H -0.148 -3.234 5.553 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c30557_6nm2 1
. 1 . 48 . 1 1 2 TRP N N -3.023 1.846 2.224 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c30557_6nm2 1
. 1 . 49 . 1 1 2 TRP NE1 N -4.853 -1.388 4.306 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c30557_6nm2 1
. 1 . 50 . 1 1 2 TRP O O 0.166 0.712 2.986 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c30557_6nm2 1
. 1 . 51 . 1 1 3 TRP C C -0.155 -1.213 0.525 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . c30557_6nm2 1
. 1 . 52 . 1 1 3 TRP CA C -0.805 -1.581 1.850 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . c30557_6nm2 1
. 1 . 53 . 1 1 3 TRP CB C -1.641 -2.834 1.659 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . c30557_6nm2 1
. 1 . 54 . 1 1 3 TRP CD1 C -3.877 -1.862 1.203 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . c30557_6nm2 1
. 1 . 55 . 1 1 3 TRP CD2 C -2.924 -2.742 -0.607 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . c30557_6nm2 1
. 1 . 56 . 1 1 3 TRP CE2 C -4.175 -2.250 -1.024 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . c30557_6nm2 1
. 1 . 57 . 1 1 3 TRP CE3 C -2.095 -3.350 -1.542 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . c30557_6nm2 1
. 1 . 58 . 1 1 3 TRP CG C -2.777 -2.497 0.798 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . c30557_6nm2 1
. 1 . 59 . 1 1 3 TRP CH2 C -3.749 -2.968 -3.282 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . c30557_6nm2 1
. 1 . 60 . 1 1 3 TRP CZ2 C -4.594 -2.360 -2.349 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . c30557_6nm2 1
. 1 . 61 . 1 1 3 TRP CZ3 C -2.499 -3.460 -2.871 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . c30557_6nm2 1
. 1 . 62 . 1 1 3 TRP H H -2.596 -0.498 2.187 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . c30557_6nm2 1
. 1 . 63 . 1 1 3 TRP HA H -0.053 -1.776 2.577 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . c30557_6nm2 1
. 1 . 64 . 1 1 3 TRP HB2 H -1.047 -3.600 1.187 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . c30557_6nm2 1
. 1 . 65 . 1 1 3 TRP HB3 H -2.002 -3.187 2.603 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . c30557_6nm2 1
. 1 . 66 . 1 1 3 TRP HD1 H -4.060 -1.528 2.208 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . c30557_6nm2 1
. 1 . 67 . 1 1 3 TRP HE1 H -5.597 -1.299 0.154 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . c30557_6nm2 1
. 1 . 68 . 1 1 3 TRP HE3 H -1.130 -3.729 -1.233 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . c30557_6nm2 1
. 1 . 69 . 1 1 3 TRP HH2 H -4.054 -3.057 -4.314 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . c30557_6nm2 1
. 1 . 70 . 1 1 3 TRP HZ2 H -5.558 -1.977 -2.652 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . c30557_6nm2 1
. 1 . 71 . 1 1 3 TRP HZ3 H -1.840 -3.907 -3.579 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . c30557_6nm2 1
. 1 . 72 . 1 1 3 TRP N N -1.620 -0.469 2.301 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . c30557_6nm2 1
. 1 . 73 . 1 1 3 TRP NE1 N -4.725 -1.719 0.126 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . c30557_6nm2 1
. 1 . 74 . 1 1 3 TRP O O 0.871 -1.769 0.146 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . c30557_6nm2 1
. 1 . 75 . 1 1 4 LEU C C 1.072 0.923 -1.263 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30557_6nm2 1
. 1 . 76 . 1 1 4 LEU CA C -0.239 0.173 -1.468 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30557_6nm2 1
. 1 . 77 . 1 1 4 LEU CB C -1.254 1.103 -2.164 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30557_6nm2 1
. 1 . 78 . 1 1 4 LEU CD1 C -1.618 -0.867 -3.718 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30557_6nm2 1
. 1 . 79 . 1 1 4 LEU CD2 C -2.932 1.208 -3.996 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30557_6nm2 1
. 1 . 80 . 1 1 4 LEU CG C -1.566 0.655 -3.608 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30557_6nm2 1
. 1 . 81 . 1 1 4 LEU H H -1.590 0.150 0.171 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30557_6nm2 1
. 1 . 82 . 1 1 4 LEU HA H -0.056 -0.692 -2.082 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30557_6nm2 1
. 1 . 83 . 1 1 4 LEU HB2 H -2.168 1.108 -1.599 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30557_6nm2 1
. 1 . 84 . 1 1 4 LEU HB3 H -0.857 2.108 -2.189 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30557_6nm2 1
. 1 . 85 . 1 1 4 LEU HD11 H -2.328 -1.152 -4.482 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30557_6nm2 1
. 1 . 86 . 1 1 4 LEU HD12 H -1.927 -1.273 -2.775 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30557_6nm2 1
. 1 . 87 . 1 1 4 LEU HD13 H -0.641 -1.249 -3.980 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30557_6nm2 1
. 1 . 88 . 1 1 4 LEU HD21 H -3.194 0.855 -4.980 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30557_6nm2 1
. 1 . 89 . 1 1 4 LEU HD22 H -2.896 2.284 -3.991 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30557_6nm2 1
. 1 . 90 . 1 1 4 LEU HD23 H -3.669 0.865 -3.283 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30557_6nm2 1
. 1 . 91 . 1 1 4 LEU HG H -0.815 1.044 -4.280 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30557_6nm2 1
. 1 . 92 . 1 1 4 LEU N N -0.769 -0.263 -0.181 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30557_6nm2 1
. 1 . 93 . 1 1 4 LEU O O 2.077 0.623 -1.895 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30557_6nm2 1
. 1 . 94 . 1 1 5 ARG C C 3.317 1.819 0.583 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30557_6nm2 1
. 1 . 95 . 1 1 5 ARG CA C 2.271 2.669 -0.133 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30557_6nm2 1
. 1 . 96 . 1 1 5 ARG CB C 1.946 3.916 0.690 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30557_6nm2 1
. 1 . 97 . 1 1 5 ARG CD C 1.071 4.332 3.003 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30557_6nm2 1
. 1 . 98 . 1 1 5 ARG CG C 0.820 3.600 1.684 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30557_6nm2 1
. 1 . 99 . 1 1 5 ARG CZ C 0.543 6.502 3.954 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30557_6nm2 1
. 1 . 100 . 1 1 5 ARG H H 0.236 2.115 0.116 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30557_6nm2 1
. 1 . 101 . 1 1 5 ARG HA H 2.677 2.978 -1.087 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30557_6nm2 1
. 1 . 102 . 1 1 5 ARG HB2 H 2.828 4.226 1.224 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30557_6nm2 1
. 1 . 103 . 1 1 5 ARG HB3 H 1.629 4.710 0.030 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30557_6nm2 1
. 1 . 104 . 1 1 5 ARG HD2 H 0.470 3.880 3.775 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30557_6nm2 1
. 1 . 105 . 1 1 5 ARG HD3 H 2.115 4.245 3.267 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30557_6nm2 1
. 1 . 106 . 1 1 5 ARG HE H 0.611 6.134 1.987 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30557_6nm2 1
. 1 . 107 . 1 1 5 ARG HG2 H -0.126 3.920 1.271 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30557_6nm2 1
. 1 . 108 . 1 1 5 ARG HG3 H 0.788 2.539 1.869 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30557_6nm2 1
. 1 . 109 . 1 1 5 ARG HH11 H 0.121 8.154 2.905 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30557_6nm2 1
. 1 . 110 . 1 1 5 ARG HH12 H 0.097 8.334 4.627 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30557_6nm2 1
. 1 . 111 . 1 1 5 ARG HH21 H 0.926 5.025 5.250 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30557_6nm2 1
. 1 . 112 . 1 1 5 ARG HH22 H 0.552 6.562 5.955 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30557_6nm2 1
. 1 . 113 . 1 1 5 ARG N N 1.062 1.902 -0.377 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30557_6nm2 1
. 1 . 114 . 1 1 5 ARG NE N 0.719 5.741 2.879 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30557_6nm2 1
. 1 . 115 . 1 1 5 ARG NH1 N 0.229 7.761 3.818 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30557_6nm2 1
. 1 . 116 . 1 1 5 ARG NH2 N 0.685 5.990 5.146 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30557_6nm2 1
. 1 . 117 . 1 1 5 ARG O O 4.516 2.006 0.378 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30557_6nm2 1
. 1 . 118 . 1 1 6 LYS C C 4.462 -0.939 1.126 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c30557_6nm2 1
. 1 . 119 . 1 1 6 LYS CA C 3.809 0.016 2.117 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c30557_6nm2 1
. 1 . 120 . 1 1 6 LYS CB C 3.100 -0.756 3.246 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c30557_6nm2 1
. 1 . 121 . 1 1 6 LYS CD C 2.090 -2.923 3.964 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c30557_6nm2 1
. 1 . 122 . 1 1 6 LYS CE C 1.323 -4.144 3.437 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c30557_6nm2 1
. 1 . 123 . 1 1 6 LYS CG C 2.770 -2.189 2.810 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c30557_6nm2 1
. 1 . 124 . 1 1 6 LYS H H 1.905 0.756 1.535 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c30557_6nm2 1
. 1 . 125 . 1 1 6 LYS HA H 4.579 0.635 2.549 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c30557_6nm2 1
. 1 . 126 . 1 1 6 LYS HB2 H 3.745 -0.790 4.113 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c30557_6nm2 1
. 1 . 127 . 1 1 6 LYS HB3 H 2.186 -0.245 3.505 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c30557_6nm2 1
. 1 . 128 . 1 1 6 LYS HD2 H 2.841 -3.250 4.669 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c30557_6nm2 1
. 1 . 129 . 1 1 6 LYS HD3 H 1.405 -2.252 4.455 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c30557_6nm2 1
. 1 . 130 . 1 1 6 LYS HE2 H 0.273 -3.904 3.351 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c30557_6nm2 1
. 1 . 131 . 1 1 6 LYS HE3 H 1.706 -4.426 2.467 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c30557_6nm2 1
. 1 . 132 . 1 1 6 LYS HG2 H 2.110 -2.164 1.959 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c30557_6nm2 1
. 1 . 133 . 1 1 6 LYS HG3 H 3.678 -2.709 2.549 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c30557_6nm2 1
. 1 . 134 . 1 1 6 LYS HZ1 H 0.627 -5.855 4.398 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c30557_6nm2 1
. 1 . 135 . 1 1 6 LYS HZ2 H 1.680 -4.911 5.339 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c30557_6nm2 1
. 1 . 136 . 1 1 6 LYS HZ3 H 2.293 -5.871 4.078 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c30557_6nm2 1
. 1 . 137 . 1 1 6 LYS N N 2.869 0.878 1.410 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c30557_6nm2 1
. 1 . 138 . 1 1 6 LYS NZ N 1.493 -5.281 4.385 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c30557_6nm2 1
. 1 . 139 . 1 1 6 LYS O O 5.677 -1.135 1.147 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c30557_6nm2 1
. 1 . 140 . 1 1 7 ILE C C 4.996 -1.566 -1.753 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . c30557_6nm2 1
. 1 . 141 . 1 1 7 ILE CA C 4.177 -2.403 -0.777 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . c30557_6nm2 1
. 1 . 142 . 1 1 7 ILE CB C 3.019 -3.127 -1.504 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . c30557_6nm2 1
. 1 . 143 . 1 1 7 ILE CD1 C 4.742 -4.396 -2.830 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . c30557_6nm2 1
. 1 . 144 . 1 1 7 ILE CG1 C 3.467 -4.512 -1.991 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . c30557_6nm2 1
. 1 . 145 . 1 1 7 ILE CG2 C 2.562 -2.312 -2.703 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . c30557_6nm2 1
. 1 . 146 . 1 1 7 ILE H H 2.697 -1.293 0.246 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . c30557_6nm2 1
. 1 . 147 . 1 1 7 ILE HA H 4.819 -3.129 -0.301 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . c30557_6nm2 1
. 1 . 148 . 1 1 7 ILE HB H 2.185 -3.240 -0.827 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . c30557_6nm2 1
. 1 . 149 . 1 1 7 ILE HD11 H 4.661 -3.549 -3.496 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . c30557_6nm2 1
. 1 . 150 . 1 1 7 ILE HD12 H 4.869 -5.296 -3.413 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . c30557_6nm2 1
. 1 . 151 . 1 1 7 ILE HD13 H 5.592 -4.266 -2.180 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . c30557_6nm2 1
. 1 . 152 . 1 1 7 ILE HG12 H 3.652 -5.149 -1.141 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . c30557_6nm2 1
. 1 . 153 . 1 1 7 ILE HG13 H 2.685 -4.941 -2.601 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . c30557_6nm2 1
. 1 . 154 . 1 1 7 ILE HG21 H 2.537 -1.272 -2.440 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . c30557_6nm2 1
. 1 . 155 . 1 1 7 ILE HG22 H 1.576 -2.634 -3.005 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . c30557_6nm2 1
. 1 . 156 . 1 1 7 ILE HG23 H 3.253 -2.463 -3.511 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . c30557_6nm2 1
. 1 . 157 . 1 1 7 ILE N N 3.651 -1.505 0.236 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . c30557_6nm2 1
. 1 . 158 . 1 1 7 ILE O O 5.928 -2.048 -2.395 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . c30557_6nm2 1
. 1 . 159 . 1 1 8 TRP C C 6.081 1.678 -1.862 . . . 1.0 . . . . . . . . . . . . A . 8 TRP C . . . . . . . . . c30557_6nm2 1
. 1 . 160 . 1 1 8 TRP CA C 5.320 0.659 -2.699 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CA . . . . . . . . . c30557_6nm2 1
. 1 . 161 . 1 1 8 TRP CB C 4.300 1.370 -3.596 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CB . . . . . . . . . c30557_6nm2 1
. 1 . 162 . 1 1 8 TRP CD1 C 2.159 0.298 -4.369 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CD1 . . . . . . . . . c30557_6nm2 1
. 1 . 163 . 1 1 8 TRP CD2 C 3.976 -0.790 -5.128 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CD2 . . . . . . . . . c30557_6nm2 1
. 1 . 164 . 1 1 8 TRP CE2 C 2.845 -1.500 -5.596 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CE2 . . . . . . . . . c30557_6nm2 1
. 1 . 165 . 1 1 8 TRP CE3 C 5.252 -1.276 -5.480 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CE3 . . . . . . . . . c30557_6nm2 1
. 1 . 166 . 1 1 8 TRP CG C 3.507 0.343 -4.332 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CG . . . . . . . . . c30557_6nm2 1
. 1 . 167 . 1 1 8 TRP CH2 C 4.241 -3.114 -6.714 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CH2 . . . . . . . . . c30557_6nm2 1
. 1 . 168 . 1 1 8 TRP CZ2 C 2.971 -2.647 -6.376 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CZ2 . . . . . . . . . c30557_6nm2 1
. 1 . 169 . 1 1 8 TRP CZ3 C 5.380 -2.430 -6.270 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CZ3 . . . . . . . . . c30557_6nm2 1
. 1 . 170 . 1 1 8 TRP H H 3.890 0.031 -1.276 . . . 1.0 . . . . . . . . . . . . A . 8 TRP H . . . . . . . . . c30557_6nm2 1
. 1 . 171 . 1 1 8 TRP HA H 6.018 0.125 -3.315 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HA . . . . . . . . . c30557_6nm2 1
. 1 . 172 . 1 1 8 TRP HB2 H 3.638 1.964 -2.984 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HB2 . . . . . . . . . c30557_6nm2 1
. 1 . 173 . 1 1 8 TRP HB3 H 4.804 2.007 -4.294 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HB3 . . . . . . . . . c30557_6nm2 1
. 1 . 174 . 1 1 8 TRP HD1 H 1.495 0.993 -3.885 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HD1 . . . . . . . . . c30557_6nm2 1
. 1 . 175 . 1 1 8 TRP HE1 H 0.845 -1.062 -5.250 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HE1 . . . . . . . . . c30557_6nm2 1
. 1 . 176 . 1 1 8 TRP HE3 H 6.137 -0.757 -5.150 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HE3 . . . . . . . . . c30557_6nm2 1
. 1 . 177 . 1 1 8 TRP HH2 H 4.345 -4.004 -7.314 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HH2 . . . . . . . . . c30557_6nm2 1
. 1 . 178 . 1 1 8 TRP HZ2 H 2.093 -3.174 -6.713 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HZ2 . . . . . . . . . c30557_6nm2 1
. 1 . 179 . 1 1 8 TRP HZ3 H 6.362 -2.794 -6.533 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HZ3 . . . . . . . . . c30557_6nm2 1
. 1 . 180 . 1 1 8 TRP N N 4.634 -0.286 -1.830 . . . 1.0 . . . . . . . . . . . . A . 8 TRP N . . . . . . . . . c30557_6nm2 1
. 1 . 181 . 1 1 8 TRP NE1 N 1.767 -0.800 -5.095 . . . 1.0 . . . . . . . . . . . . A . 8 TRP NE1 . . . . . . . . . c30557_6nm2 1
. 1 . 182 . 1 1 8 TRP O O 6.261 2.822 -2.278 . . . 1.0 . . . . . . . . . . . . A . 8 TRP O . . . . . . . . . c30557_6nm2 1
. 1 . 183 . 1 1 9 NH2 HN1 H 6.397 0.404 -0.370 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN1 . . . . . . . . . c30557_6nm2 1
. 1 . 184 . 1 1 9 NH2 HN2 H 7.039 1.962 -0.146 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN2 . . . . . . . . . c30557_6nm2 1
. 1 . 185 . 1 1 9 NH2 N N 6.545 1.320 -0.696 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 N . . . . . . . . . c30557_6nm2 1
. 2 . 186 . 1 1 1 TRP C C -3.868 2.865 2.085 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30557_6nm2 1
. 2 . 187 . 1 1 1 TRP CA C -4.968 2.693 1.048 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30557_6nm2 1
. 2 . 188 . 1 1 1 TRP CB C -4.631 1.474 0.183 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30557_6nm2 1
. 2 . 189 . 1 1 1 TRP CD1 C -6.511 0.457 -1.137 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30557_6nm2 1
. 2 . 190 . 1 1 1 TRP CD2 C -5.621 2.258 -2.128 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30557_6nm2 1
. 2 . 191 . 1 1 1 TRP CE2 C -6.657 1.807 -2.977 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30557_6nm2 1
. 2 . 192 . 1 1 1 TRP CE3 C -4.886 3.383 -2.513 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30557_6nm2 1
. 2 . 193 . 1 1 1 TRP CG C -5.558 1.394 -0.973 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30557_6nm2 1
. 2 . 194 . 1 1 1 TRP CH2 C -6.203 3.583 -4.543 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30557_6nm2 1
. 2 . 195 . 1 1 1 TRP CZ2 C -6.951 2.459 -4.175 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30557_6nm2 1
. 2 . 196 . 1 1 1 TRP CZ3 C -5.171 4.038 -3.708 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30557_6nm2 1
. 2 . 197 . 1 1 1 TRP H1 H -5.431 4.701 0.751 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c30557_6nm2 1
. 2 . 198 . 1 1 1 TRP H2 H -5.654 3.727 -0.623 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H2 . . . . . . . . . c30557_6nm2 1
. 2 . 199 . 1 1 1 TRP H3 H -4.087 4.164 -0.134 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H3 . . . . . . . . . c30557_6nm2 1
. 2 . 200 . 1 1 1 TRP HA H -5.915 2.541 1.534 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30557_6nm2 1
. 2 . 201 . 1 1 1 TRP HB2 H -3.622 1.566 -0.175 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30557_6nm2 1
. 2 . 202 . 1 1 1 TRP HB3 H -4.717 0.576 0.772 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30557_6nm2 1
. 2 . 203 . 1 1 1 TRP HD1 H -6.720 -0.347 -0.448 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30557_6nm2 1
. 2 . 204 . 1 1 1 TRP HE1 H -7.918 0.171 -2.683 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30557_6nm2 1
. 2 . 205 . 1 1 1 TRP HE3 H -4.087 3.743 -1.884 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30557_6nm2 1
. 2 . 206 . 1 1 1 TRP HH2 H -6.418 4.096 -5.469 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30557_6nm2 1
. 2 . 207 . 1 1 1 TRP HZ2 H -7.746 2.101 -4.811 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30557_6nm2 1
. 2 . 208 . 1 1 1 TRP HZ3 H -4.591 4.897 -3.984 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30557_6nm2 1
. 2 . 209 . 1 1 1 TRP N N -5.040 3.913 0.196 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30557_6nm2 1
. 2 . 210 . 1 1 1 TRP NE1 N -7.175 0.702 -2.328 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30557_6nm2 1
. 2 . 211 . 1 1 1 TRP O O -3.728 3.918 2.706 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30557_6nm2 1
. 2 . 212 . 1 1 2 TRP C C -0.988 0.716 2.742 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c30557_6nm2 1
. 2 . 213 . 1 1 2 TRP CA C -1.965 1.799 3.163 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c30557_6nm2 1
. 2 . 214 . 1 1 2 TRP CB C -2.440 1.536 4.580 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c30557_6nm2 1
. 2 . 215 . 1 1 2 TRP CD1 C -4.297 -0.142 4.507 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c30557_6nm2 1
. 2 . 216 . 1 1 2 TRP CD2 C -2.281 -1.058 4.795 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c30557_6nm2 1
. 2 . 217 . 1 1 2 TRP CE2 C -3.198 -2.127 4.785 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c30557_6nm2 1
. 2 . 218 . 1 1 2 TRP CE3 C -0.927 -1.330 4.956 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c30557_6nm2 1
. 2 . 219 . 1 1 2 TRP CG C -2.999 0.174 4.633 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c30557_6nm2 1
. 2 . 220 . 1 1 2 TRP CH2 C -1.410 -3.710 5.098 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c30557_6nm2 1
. 2 . 221 . 1 1 2 TRP CZ2 C -2.773 -3.446 4.935 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c30557_6nm2 1
. 2 . 222 . 1 1 2 TRP CZ3 C -0.485 -2.652 5.106 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c30557_6nm2 1
. 2 . 223 . 1 1 2 TRP H H -3.250 1.013 1.693 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c30557_6nm2 1
. 2 . 224 . 1 1 2 TRP HA H -1.474 2.745 3.133 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c30557_6nm2 1
. 2 . 225 . 1 1 2 TRP HB2 H -1.605 1.610 5.262 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c30557_6nm2 1
. 2 . 226 . 1 1 2 TRP HB3 H -3.190 2.244 4.854 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c30557_6nm2 1
. 2 . 227 . 1 1 2 TRP HD1 H -5.096 0.565 4.359 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c30557_6nm2 1
. 2 . 228 . 1 1 2 TRP HE1 H -5.265 -2.011 4.547 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c30557_6nm2 1
. 2 . 229 . 1 1 2 TRP HE3 H -0.220 -0.507 4.949 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c30557_6nm2 1
. 2 . 230 . 1 1 2 TRP HH2 H -1.071 -4.725 5.209 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c30557_6nm2 1
. 2 . 231 . 1 1 2 TRP HZ2 H -3.487 -4.254 4.928 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c30557_6nm2 1
. 2 . 232 . 1 1 2 TRP HZ3 H 0.566 -2.857 5.234 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c30557_6nm2 1
. 2 . 233 . 1 1 2 TRP N N -3.082 1.809 2.237 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c30557_6nm2 1
. 2 . 234 . 1 1 2 TRP NE1 N -4.425 -1.518 4.602 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c30557_6nm2 1
. 2 . 235 . 1 1 2 TRP O O 0.226 0.913 2.770 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c30557_6nm2 1
. 2 . 236 . 1 1 3 TRP C C -0.041 -1.133 0.551 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . c30557_6nm2 1
. 2 . 237 . 1 1 3 TRP CA C -0.683 -1.517 1.871 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . c30557_6nm2 1
. 2 . 238 . 1 1 3 TRP CB C -1.473 -2.801 1.686 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . c30557_6nm2 1
. 2 . 239 . 1 1 3 TRP CD1 C -3.770 -1.921 1.351 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . c30557_6nm2 1
. 2 . 240 . 1 1 3 TRP CD2 C -2.882 -2.787 -0.500 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . c30557_6nm2 1
. 2 . 241 . 1 1 3 TRP CE2 C -4.172 -2.350 -0.856 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . c30557_6nm2 1
. 2 . 242 . 1 1 3 TRP CE3 C -2.078 -3.375 -1.468 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . c30557_6nm2 1
. 2 . 243 . 1 1 3 TRP CG C -2.668 -2.514 0.889 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . c30557_6nm2 1
. 2 . 244 . 1 1 3 TRP CH2 C -3.834 -3.086 -3.124 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . c30557_6nm2 1
. 2 . 245 . 1 1 3 TRP CZ2 C -4.655 -2.496 -2.155 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . c30557_6nm2 1
. 2 . 246 . 1 1 3 TRP CZ3 C -2.545 -3.523 -2.773 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . c30557_6nm2 1
. 2 . 247 . 1 1 3 TRP H H -2.504 -0.524 2.304 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . c30557_6nm2 1
. 2 . 248 . 1 1 3 TRP HA H 0.073 -1.687 2.597 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . c30557_6nm2 1
. 2 . 249 . 1 1 3 TRP HB2 H -0.867 -3.527 1.168 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . c30557_6nm2 1
. 2 . 250 . 1 1 3 TRP HB3 H -1.767 -3.194 2.635 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . c30557_6nm2 1
. 2 . 251 . 1 1 3 TRP HD1 H -3.914 -1.584 2.361 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . c30557_6nm2 1
. 2 . 252 . 1 1 3 TRP HE1 H -5.568 -1.439 0.387 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . c30557_6nm2 1
. 2 . 253 . 1 1 3 TRP HE3 H -1.083 -3.710 -1.202 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . c30557_6nm2 1
. 2 . 254 . 1 1 3 TRP HH2 H -4.190 -3.204 -4.136 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . c30557_6nm2 1
. 2 . 255 . 1 1 3 TRP HZ2 H -5.646 -2.156 -2.412 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . c30557_6nm2 1
. 2 . 256 . 1 1 3 TRP HZ3 H -1.906 -3.957 -3.509 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . c30557_6nm2 1
. 2 . 257 . 1 1 3 TRP N N -1.529 -0.427 2.323 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . c30557_6nm2 1
. 2 . 258 . 1 1 3 TRP NE1 N -4.681 -1.826 0.318 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . c30557_6nm2 1
. 2 . 259 . 1 1 3 TRP O O 1.077 -1.542 0.245 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . c30557_6nm2 1
. 2 . 260 . 1 1 4 LEU C C 1.061 0.880 -1.278 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30557_6nm2 1
. 2 . 261 . 1 1 4 LEU CA C -0.245 0.133 -1.505 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30557_6nm2 1
. 2 . 262 . 1 1 4 LEU CB C -1.272 1.075 -2.169 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30557_6nm2 1
. 2 . 263 . 1 1 4 LEU CD1 C -1.760 -0.938 -3.633 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30557_6nm2 1
. 2 . 264 . 1 1 4 LEU CD2 C -3.093 1.124 -3.867 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30557_6nm2 1
. 2 . 265 . 1 1 4 LEU CG C -1.699 0.584 -3.571 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30557_6nm2 1
. 2 . 266 . 1 1 4 LEU H H -1.641 -0.012 0.086 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30557_6nm2 1
. 2 . 267 . 1 1 4 LEU HA H -0.062 -0.721 -2.137 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30557_6nm2 1
. 2 . 268 . 1 1 4 LEU HB2 H -2.147 1.136 -1.542 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30557_6nm2 1
. 2 . 269 . 1 1 4 LEU HB3 H -0.843 2.063 -2.261 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30557_6nm2 1
. 2 . 270 . 1 1 4 LEU HD11 H -2.500 -1.243 -4.359 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30557_6nm2 1
. 2 . 271 . 1 1 4 LEU HD12 H -2.034 -1.313 -2.666 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30557_6nm2 1
. 2 . 272 . 1 1 4 LEU HD13 H -0.794 -1.332 -3.920 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30557_6nm2 1
. 2 . 273 . 1 1 4 LEU HD21 H -3.409 0.787 -4.841 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30557_6nm2 1
. 2 . 274 . 1 1 4 LEU HD22 H -3.075 2.199 -3.840 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30557_6nm2 1
. 2 . 275 . 1 1 4 LEU HD23 H -3.782 0.754 -3.118 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30557_6nm2 1
. 2 . 276 . 1 1 4 LEU HG H -1.006 0.952 -4.312 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30557_6nm2 1
. 2 . 277 . 1 1 4 LEU N N -0.757 -0.321 -0.221 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30557_6nm2 1
. 2 . 278 . 1 1 4 LEU O O 2.073 0.613 -1.914 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30557_6nm2 1
. 2 . 279 . 1 1 5 ARG C C 3.275 1.751 0.632 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30557_6nm2 1
. 2 . 280 . 1 1 5 ARG CA C 2.211 2.605 -0.062 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30557_6nm2 1
. 2 . 281 . 1 1 5 ARG CB C 1.809 3.803 0.809 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30557_6nm2 1
. 2 . 282 . 1 1 5 ARG CD C 1.410 4.549 3.178 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30557_6nm2 1
. 2 . 283 . 1 1 5 ARG CG C 2.143 3.540 2.286 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30557_6nm2 1
. 2 . 284 . 1 1 5 ARG CZ C 2.025 6.331 4.709 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30557_6nm2 1
. 2 . 285 . 1 1 5 ARG H H 0.196 1.999 0.127 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30557_6nm2 1
. 2 . 286 . 1 1 5 ARG HA H 2.623 2.971 -0.999 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30557_6nm2 1
. 2 . 287 . 1 1 5 ARG HB2 H 2.332 4.678 0.473 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30557_6nm2 1
. 2 . 288 . 1 1 5 ARG HB3 H 0.746 3.966 0.711 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30557_6nm2 1
. 2 . 289 . 1 1 5 ARG HD2 H 0.920 5.289 2.563 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30557_6nm2 1
. 2 . 290 . 1 1 5 ARG HD3 H 0.669 4.030 3.770 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30557_6nm2 1
. 2 . 291 . 1 1 5 ARG HE H 3.248 4.833 4.192 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30557_6nm2 1
. 2 . 292 . 1 1 5 ARG HG2 H 1.833 2.541 2.552 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30557_6nm2 1
. 2 . 293 . 1 1 5 ARG HG3 H 3.208 3.638 2.436 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30557_6nm2 1
. 2 . 294 . 1 1 5 ARG HH11 H 3.799 6.513 5.620 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30557_6nm2 1
. 2 . 295 . 1 1 5 ARG HH12 H 2.640 7.750 5.980 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30557_6nm2 1
. 2 . 296 . 1 1 5 ARG HH21 H 0.176 6.406 3.945 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30557_6nm2 1
. 2 . 297 . 1 1 5 ARG HH22 H 0.590 7.688 5.033 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30557_6nm2 1
. 2 . 298 . 1 1 5 ARG N N 1.029 1.822 -0.359 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30557_6nm2 1
. 2 . 299 . 1 1 5 ARG NE N 2.355 5.215 4.067 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30557_6nm2 1
. 2 . 300 . 1 1 5 ARG NH1 N 2.889 6.909 5.498 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30557_6nm2 1
. 2 . 301 . 1 1 5 ARG NH2 N 0.837 6.849 4.550 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30557_6nm2 1
. 2 . 302 . 1 1 5 ARG O O 4.470 1.933 0.403 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30557_6nm2 1
. 2 . 303 . 1 1 6 LYS C C 4.411 -1.015 1.185 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c30557_6nm2 1
. 2 . 304 . 1 1 6 LYS CA C 3.776 -0.048 2.178 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c30557_6nm2 1
. 2 . 305 . 1 1 6 LYS CB C 3.059 -0.780 3.330 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c30557_6nm2 1
. 2 . 306 . 1 1 6 LYS CD C 2.808 -3.146 2.478 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c30557_6nm2 1
. 2 . 307 . 1 1 6 LYS CE C 2.392 -4.451 3.168 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c30557_6nm2 1
. 2 . 308 . 1 1 6 LYS CG C 3.553 -2.231 3.470 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c30557_6nm2 1
. 2 . 309 . 1 1 6 LYS H H 1.874 0.710 1.622 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c30557_6nm2 1
. 2 . 310 . 1 1 6 LYS HA H 4.559 0.569 2.593 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c30557_6nm2 1
. 2 . 311 . 1 1 6 LYS HB2 H 3.251 -0.255 4.255 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c30557_6nm2 1
. 2 . 312 . 1 1 6 LYS HB3 H 1.999 -0.777 3.144 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c30557_6nm2 1
. 2 . 313 . 1 1 6 LYS HD2 H 1.928 -2.645 2.110 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c30557_6nm2 1
. 2 . 314 . 1 1 6 LYS HD3 H 3.456 -3.376 1.649 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c30557_6nm2 1
. 2 . 315 . 1 1 6 LYS HE2 H 1.955 -4.229 4.130 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c30557_6nm2 1
. 2 . 316 . 1 1 6 LYS HE3 H 1.664 -4.962 2.556 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c30557_6nm2 1
. 2 . 317 . 1 1 6 LYS HG2 H 4.615 -2.271 3.274 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c30557_6nm2 1
. 2 . 318 . 1 1 6 LYS HG3 H 3.368 -2.569 4.480 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c30557_6nm2 1
. 2 . 319 . 1 1 6 LYS HZ1 H 3.873 -5.310 4.352 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c30557_6nm2 1
. 2 . 320 . 1 1 6 LYS HZ2 H 4.368 -4.964 2.763 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c30557_6nm2 1
. 2 . 321 . 1 1 6 LYS HZ3 H 3.356 -6.293 3.070 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c30557_6nm2 1
. 2 . 322 . 1 1 6 LYS N N 2.838 0.818 1.476 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c30557_6nm2 1
. 2 . 323 . 1 1 6 LYS NZ N 3.587 -5.320 3.352 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c30557_6nm2 1
. 2 . 324 . 1 1 6 LYS O O 5.598 -1.328 1.283 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c30557_6nm2 1
. 2 . 325 . 1 1 7 ILE C C 4.951 -1.477 -1.813 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . c30557_6nm2 1
. 2 . 326 . 1 1 7 ILE CA C 4.154 -2.333 -0.831 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . c30557_6nm2 1
. 2 . 327 . 1 1 7 ILE CB C 2.997 -3.065 -1.547 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . c30557_6nm2 1
. 2 . 328 . 1 1 7 ILE CD1 C 4.715 -4.302 -2.910 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . c30557_6nm2 1
. 2 . 329 . 1 1 7 ILE CG1 C 3.454 -4.440 -2.055 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . c30557_6nm2 1
. 2 . 330 . 1 1 7 ILE CG2 C 2.511 -2.246 -2.732 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . c30557_6nm2 1
. 2 . 331 . 1 1 7 ILE H H 2.700 -1.142 0.149 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . c30557_6nm2 1
. 2 . 332 . 1 1 7 ILE HA H 4.816 -3.055 -0.376 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . c30557_6nm2 1
. 2 . 333 . 1 1 7 ILE HB H 2.175 -3.195 -0.859 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . c30557_6nm2 1
. 2 . 334 . 1 1 7 ILE HD11 H 5.572 -4.163 -2.270 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . c30557_6nm2 1
. 2 . 335 . 1 1 7 ILE HD12 H 4.613 -3.454 -3.570 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . c30557_6nm2 1
. 2 . 336 . 1 1 7 ILE HD13 H 4.848 -5.197 -3.499 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . c30557_6nm2 1
. 2 . 337 . 1 1 7 ILE HG12 H 3.657 -5.083 -1.213 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . c30557_6nm2 1
. 2 . 338 . 1 1 7 ILE HG13 H 2.668 -4.873 -2.659 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . c30557_6nm2 1
. 2 . 339 . 1 1 7 ILE HG21 H 2.488 -1.208 -2.463 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . c30557_6nm2 1
. 2 . 340 . 1 1 7 ILE HG22 H 1.519 -2.568 -3.014 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . c30557_6nm2 1
. 2 . 341 . 1 1 7 ILE HG23 H 3.184 -2.390 -3.557 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . c30557_6nm2 1
. 2 . 342 . 1 1 7 ILE N N 3.630 -1.449 0.200 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . c30557_6nm2 1
. 2 . 343 . 1 1 7 ILE O O 5.873 -1.945 -2.480 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . c30557_6nm2 1
. 2 . 344 . 1 1 8 TRP C C 6.009 1.781 -1.902 . . . 1.0 . . . . . . . . . . . . A . 8 TRP C . . . . . . . . . c30557_6nm2 1
. 2 . 345 . 1 1 8 TRP CA C 5.246 0.765 -2.739 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CA . . . . . . . . . c30557_6nm2 1
. 2 . 346 . 1 1 8 TRP CB C 4.202 1.474 -3.607 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CB . . . . . . . . . c30557_6nm2 1
. 2 . 347 . 1 1 8 TRP CD1 C 2.062 0.386 -4.363 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CD1 . . . . . . . . . c30557_6nm2 1
. 2 . 348 . 1 1 8 TRP CD2 C 3.881 -0.673 -5.159 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CD2 . . . . . . . . . c30557_6nm2 1
. 2 . 349 . 1 1 8 TRP CE2 C 2.751 -1.391 -5.617 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CE2 . . . . . . . . . c30557_6nm2 1
. 2 . 350 . 1 1 8 TRP CE3 C 5.157 -1.140 -5.534 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CE3 . . . . . . . . . c30557_6nm2 1
. 2 . 351 . 1 1 8 TRP CG C 3.410 0.446 -4.344 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CG . . . . . . . . . c30557_6nm2 1
. 2 . 352 . 1 1 8 TRP CH2 C 4.149 -2.978 -6.772 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CH2 . . . . . . . . . c30557_6nm2 1
. 2 . 353 . 1 1 8 TRP CZ2 C 2.879 -2.529 -6.411 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CZ2 . . . . . . . . . c30557_6nm2 1
. 2 . 354 . 1 1 8 TRP CZ3 C 5.287 -2.284 -6.338 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CZ3 . . . . . . . . . c30557_6nm2 1
. 2 . 355 . 1 1 8 TRP H H 3.849 0.108 -1.295 . . . 1.0 . . . . . . . . . . . . A . 8 TRP H . . . . . . . . . c30557_6nm2 1
. 2 . 356 . 1 1 8 TRP HA H 5.942 0.247 -3.374 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HA . . . . . . . . . c30557_6nm2 1
. 2 . 357 . 1 1 8 TRP HB2 H 3.543 2.050 -2.975 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HB2 . . . . . . . . . c30557_6nm2 1
. 2 . 358 . 1 1 8 TRP HB3 H 4.685 2.128 -4.305 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HB3 . . . . . . . . . c30557_6nm2 1
. 2 . 359 . 1 1 8 TRP HD1 H 1.397 1.068 -3.861 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HD1 . . . . . . . . . c30557_6nm2 1
. 2 . 360 . 1 1 8 TRP HE1 H 0.752 -0.980 -5.238 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HE1 . . . . . . . . . c30557_6nm2 1
. 2 . 361 . 1 1 8 TRP HE3 H 6.041 -0.615 -5.212 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HE3 . . . . . . . . . c30557_6nm2 1
. 2 . 362 . 1 1 8 TRP HH2 H 4.255 -3.860 -7.384 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HH2 . . . . . . . . . c30557_6nm2 1
. 2 . 363 . 1 1 8 TRP HZ2 H 2.003 -3.063 -6.741 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HZ2 . . . . . . . . . c30557_6nm2 1
. 2 . 364 . 1 1 8 TRP HZ3 H 6.268 -2.634 -6.619 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HZ3 . . . . . . . . . c30557_6nm2 1
. 2 . 365 . 1 1 8 TRP N N 4.582 -0.198 -1.868 . . . 1.0 . . . . . . . . . . . . A . 8 TRP N . . . . . . . . . c30557_6nm2 1
. 2 . 366 . 1 1 8 TRP NE1 N 1.673 -0.709 -5.094 . . . 1.0 . . . . . . . . . . . . A . 8 TRP NE1 . . . . . . . . . c30557_6nm2 1
. 2 . 367 . 1 1 8 TRP O O 6.163 2.936 -2.301 . . . 1.0 . . . . . . . . . . . . A . 8 TRP O . . . . . . . . . c30557_6nm2 1
. 2 . 368 . 1 1 9 NH2 HN1 H 6.378 0.488 -0.438 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN1 . . . . . . . . . c30557_6nm2 1
. 2 . 369 . 1 1 9 NH2 HN2 H 7.000 2.053 -0.201 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN2 . . . . . . . . . c30557_6nm2 1
. 2 . 370 . 1 1 9 NH2 N N 6.503 1.412 -0.751 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 N . . . . . . . . . c30557_6nm2 1
. 3 . 371 . 1 1 1 TRP C C -3.896 2.877 2.039 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30557_6nm2 1
. 3 . 372 . 1 1 1 TRP CA C -4.928 2.741 0.926 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30557_6nm2 1
. 3 . 373 . 1 1 1 TRP CB C -4.577 1.516 0.075 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30557_6nm2 1
. 3 . 374 . 1 1 1 TRP CD1 C -6.459 0.516 -1.266 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30557_6nm2 1
. 3 . 375 . 1 1 1 TRP CD2 C -5.506 2.277 -2.271 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30557_6nm2 1
. 3 . 376 . 1 1 1 TRP CE2 C -6.534 1.834 -3.132 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30557_6nm2 1
. 3 . 377 . 1 1 1 TRP CE3 C -4.738 3.379 -2.661 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30557_6nm2 1
. 3 . 378 . 1 1 1 TRP CG C -5.485 1.434 -1.098 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30557_6nm2 1
. 3 . 379 . 1 1 1 TRP CH2 C -6.010 3.569 -4.723 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30557_6nm2 1
. 3 . 380 . 1 1 1 TRP CZ2 C -6.789 2.470 -4.348 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30557_6nm2 1
. 3 . 381 . 1 1 1 TRP CZ3 C -4.984 4.018 -3.875 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30557_6nm2 1
. 3 . 382 . 1 1 1 TRP H1 H -5.504 3.820 -0.759 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c30557_6nm2 1
. 3 . 383 . 1 1 1 TRP H2 H -3.927 4.158 -0.224 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H2 . . . . . . . . . c30557_6nm2 1
. 3 . 384 . 1 1 1 TRP H3 H -5.265 4.773 0.624 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H3 . . . . . . . . . c30557_6nm2 1
. 3 . 385 . 1 1 1 TRP HA H -5.911 2.618 1.347 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30557_6nm2 1
. 3 . 386 . 1 1 1 TRP HB2 H -3.562 1.606 -0.266 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30557_6nm2 1
. 3 . 387 . 1 1 1 TRP HB3 H -4.674 0.621 0.664 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30557_6nm2 1
. 3 . 388 . 1 1 1 TRP HD1 H -6.702 -0.271 -0.568 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30557_6nm2 1
. 3 . 389 . 1 1 1 TRP HE1 H -7.838 0.233 -2.836 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30557_6nm2 1
. 3 . 390 . 1 1 1 TRP HE3 H -3.945 3.735 -2.022 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30557_6nm2 1
. 3 . 391 . 1 1 1 TRP HH2 H -6.194 4.069 -5.662 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30557_6nm2 1
. 3 . 392 . 1 1 1 TRP HZ2 H -7.580 2.117 -4.994 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30557_6nm2 1
. 3 . 393 . 1 1 1 TRP HZ3 H -4.381 4.857 -4.156 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30557_6nm2 1
. 3 . 394 . 1 1 1 TRP N N -4.905 3.965 0.078 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30557_6nm2 1
. 3 . 395 . 1 1 1 TRP NE1 N -7.091 0.754 -2.474 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30557_6nm2 1
. 3 . 396 . 1 1 1 TRP O O -3.832 3.890 2.734 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30557_6nm2 1
. 3 . 397 . 1 1 2 TRP C C -1.047 0.700 2.808 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c30557_6nm2 1
. 3 . 398 . 1 1 2 TRP CA C -2.024 1.804 3.169 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c30557_6nm2 1
. 3 . 399 . 1 1 2 TRP CB C -2.595 1.561 4.555 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c30557_6nm2 1
. 3 . 400 . 1 1 2 TRP CD1 C -4.515 -0.032 4.330 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c30557_6nm2 1
. 3 . 401 . 1 1 2 TRP CD2 C -2.577 -1.032 4.806 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c30557_6nm2 1
. 3 . 402 . 1 1 2 TRP CE2 C -3.535 -2.061 4.722 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c30557_6nm2 1
. 3 . 403 . 1 1 2 TRP CE3 C -1.256 -1.360 5.091 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c30557_6nm2 1
. 3 . 404 . 1 1 2 TRP CG C -3.220 0.227 4.568 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c30557_6nm2 1
. 3 . 405 . 1 1 2 TRP CH2 C -1.857 -3.717 5.210 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c30557_6nm2 1
. 3 . 406 . 1 1 2 TRP CZ2 C -3.186 -3.394 4.921 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c30557_6nm2 1
. 3 . 407 . 1 1 2 TRP CZ3 C -0.891 -2.700 5.293 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c30557_6nm2 1
. 3 . 408 . 1 1 2 TRP H H -3.189 1.074 1.572 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c30557_6nm2 1
. 3 . 409 . 1 1 2 TRP HA H -1.506 2.736 3.166 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c30557_6nm2 1
. 3 . 410 . 1 1 2 TRP HB2 H -1.799 1.594 5.285 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c30557_6nm2 1
. 3 . 411 . 1 1 2 TRP HB3 H -3.326 2.304 4.785 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c30557_6nm2 1
. 3 . 412 . 1 1 2 TRP HD1 H -5.267 0.706 4.105 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c30557_6nm2 1
. 3 . 413 . 1 1 2 TRP HE1 H -5.564 -1.857 4.296 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c30557_6nm2 1
. 3 . 414 . 1 1 2 TRP HE3 H -0.518 -0.564 5.142 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c30557_6nm2 1
. 3 . 415 . 1 1 2 TRP HH2 H -1.573 -4.745 5.364 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c30557_6nm2 1
. 3 . 416 . 1 1 2 TRP HZ2 H -3.934 -4.170 4.854 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c30557_6nm2 1
. 3 . 417 . 1 1 2 TRP HZ3 H 0.133 -2.950 5.521 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c30557_6nm2 1
. 3 . 418 . 1 1 2 TRP N N -3.081 1.840 2.174 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c30557_6nm2 1
. 3 . 419 . 1 1 2 TRP NE1 N -4.712 -1.399 4.424 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c30557_6nm2 1
. 3 . 420 . 1 1 2 TRP O O 0.167 0.861 2.935 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c30557_6nm2 1
. 3 . 421 . 1 1 3 TRP C C -0.049 -1.141 0.602 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . c30557_6nm2 1
. 3 . 422 . 1 1 3 TRP CA C -0.729 -1.516 1.910 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . c30557_6nm2 1
. 3 . 423 . 1 1 3 TRP CB C -1.525 -2.796 1.723 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . c30557_6nm2 1
. 3 . 424 . 1 1 3 TRP CD1 C -3.801 -1.901 1.284 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . c30557_6nm2 1
. 3 . 425 . 1 1 3 TRP CD2 C -2.851 -2.804 -0.517 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . c30557_6nm2 1
. 3 . 426 . 1 1 3 TRP CE2 C -4.124 -2.362 -0.926 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . c30557_6nm2 1
. 3 . 427 . 1 1 3 TRP CE3 C -2.019 -3.413 -1.446 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . c30557_6nm2 1
. 3 . 428 . 1 1 3 TRP CG C -2.687 -2.511 0.876 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . c30557_6nm2 1
. 3 . 429 . 1 1 3 TRP CH2 C -3.712 -3.135 -3.168 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . c30557_6nm2 1
. 3 . 430 . 1 1 3 TRP CZ2 C -4.561 -2.525 -2.241 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . c30557_6nm2 1
. 3 . 431 . 1 1 3 TRP CZ3 C -2.440 -3.577 -2.765 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . c30557_6nm2 1
. 3 . 432 . 1 1 3 TRP H H -2.556 -0.488 2.224 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . c30557_6nm2 1
. 3 . 433 . 1 1 3 TRP HA H 0.010 -1.679 2.660 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . c30557_6nm2 1
. 3 . 434 . 1 1 3 TRP HB2 H -0.908 -3.539 1.244 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . c30557_6nm2 1
. 3 . 435 . 1 1 3 TRP HB3 H -1.859 -3.165 2.671 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . c30557_6nm2 1
. 3 . 436 . 1 1 3 TRP HD1 H -3.980 -1.545 2.281 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . c30557_6nm2 1
. 3 . 437 . 1 1 3 TRP HE1 H -5.558 -1.423 0.249 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . c30557_6nm2 1
. 3 . 438 . 1 1 3 TRP HE3 H -1.037 -3.751 -1.139 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . c30557_6nm2 1
. 3 . 439 . 1 1 3 TRP HH2 H -4.031 -3.266 -4.192 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . c30557_6nm2 1
. 3 . 440 . 1 1 3 TRP HZ2 H -5.541 -2.182 -2.538 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . c30557_6nm2 1
. 3 . 441 . 1 1 3 TRP HZ3 H -1.778 -4.025 -3.470 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . c30557_6nm2 1
. 3 . 442 . 1 1 3 TRP N N -1.581 -0.417 2.324 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . c30557_6nm2 1
. 3 . 443 . 1 1 3 TRP NE1 N -4.673 -1.817 0.218 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . c30557_6nm2 1
. 3 . 444 . 1 1 3 TRP O O 1.081 -1.547 0.332 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . c30557_6nm2 1
. 3 . 445 . 1 1 4 LEU C C 1.095 0.869 -1.242 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30557_6nm2 1
. 3 . 446 . 1 1 4 LEU CA C -0.204 0.103 -1.483 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30557_6nm2 1
. 3 . 447 . 1 1 4 LEU CB C -1.219 1.027 -2.190 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30557_6nm2 1
. 3 . 448 . 1 1 4 LEU CD1 C -1.635 -0.999 -3.658 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30557_6nm2 1
. 3 . 449 . 1 1 4 LEU CD2 C -2.969 1.056 -3.960 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30557_6nm2 1
. 3 . 450 . 1 1 4 LEU CG C -1.586 0.525 -3.605 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30557_6nm2 1
. 3 . 451 . 1 1 4 LEU H H -1.646 -0.043 0.070 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30557_6nm2 1
. 3 . 452 . 1 1 4 LEU HA H 0.002 -0.756 -2.099 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30557_6nm2 1
. 3 . 453 . 1 1 4 LEU HB2 H -2.115 1.078 -1.596 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30557_6nm2 1
. 3 . 454 . 1 1 4 LEU HB3 H -0.800 2.020 -2.270 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30557_6nm2 1
. 3 . 455 . 1 1 4 LEU HD11 H -2.354 -1.312 -4.402 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30557_6nm2 1
. 3 . 456 . 1 1 4 LEU HD12 H -1.931 -1.370 -2.696 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30557_6nm2 1
. 3 . 457 . 1 1 4 LEU HD13 H -0.661 -1.388 -3.919 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30557_6nm2 1
. 3 . 458 . 1 1 4 LEU HD21 H -2.948 2.132 -3.969 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30557_6nm2 1
. 3 . 459 . 1 1 4 LEU HD22 H -3.682 0.712 -3.222 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30557_6nm2 1
. 3 . 460 . 1 1 4 LEU HD23 H -3.255 0.688 -4.933 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30557_6nm2 1
. 3 . 461 . 1 1 4 LEU HG H -0.866 0.891 -4.320 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30557_6nm2 1
. 3 . 462 . 1 1 4 LEU N N -0.750 -0.343 -0.205 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30557_6nm2 1
. 3 . 463 . 1 1 4 LEU O O 2.123 0.582 -1.842 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30557_6nm2 1
. 3 . 464 . 1 1 5 ARG C C 3.290 1.744 0.619 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30557_6nm2 1
. 3 . 465 . 1 1 5 ARG CA C 2.241 2.622 -0.057 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30557_6nm2 1
. 3 . 466 . 1 1 5 ARG CB C 1.913 3.833 0.843 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30557_6nm2 1
. 3 . 467 . 1 1 5 ARG CD C 0.458 4.417 2.816 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30557_6nm2 1
. 3 . 468 . 1 1 5 ARG CG C 0.513 3.687 1.467 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30557_6nm2 1
. 3 . 469 . 1 1 5 ARG CZ C -1.253 5.443 4.200 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30557_6nm2 1
. 3 . 470 . 1 1 5 ARG H H 0.206 2.038 0.114 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30557_6nm2 1
. 3 . 471 . 1 1 5 ARG HA H 2.652 2.981 -0.999 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30557_6nm2 1
. 3 . 472 . 1 1 5 ARG HB2 H 2.649 3.900 1.630 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30557_6nm2 1
. 3 . 473 . 1 1 5 ARG HB3 H 1.945 4.737 0.251 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30557_6nm2 1
. 3 . 474 . 1 1 5 ARG HD2 H 0.631 3.707 3.615 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30557_6nm2 1
. 3 . 475 . 1 1 5 ARG HD3 H 1.220 5.181 2.849 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30557_6nm2 1
. 3 . 476 . 1 1 5 ARG HE H -1.440 5.153 2.228 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30557_6nm2 1
. 3 . 477 . 1 1 5 ARG HG2 H -0.223 4.115 0.802 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30557_6nm2 1
. 3 . 478 . 1 1 5 ARG HG3 H 0.292 2.645 1.622 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30557_6nm2 1
. 3 . 479 . 1 1 5 ARG HH11 H -3.024 6.110 3.546 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30557_6nm2 1
. 3 . 480 . 1 1 5 ARG HH12 H -2.731 6.301 5.243 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30557_6nm2 1
. 3 . 481 . 1 1 5 ARG HH21 H 0.425 4.869 5.129 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30557_6nm2 1
. 3 . 482 . 1 1 5 ARG HH22 H -0.779 5.599 6.139 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30557_6nm2 1
. 3 . 483 . 1 1 5 ARG N N 1.047 1.844 -0.350 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30557_6nm2 1
. 3 . 484 . 1 1 5 ARG NE N -0.849 5.035 3.001 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30557_6nm2 1
. 3 . 485 . 1 1 5 ARG NH1 N -2.427 5.994 4.340 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30557_6nm2 1
. 3 . 486 . 1 1 5 ARG NH2 N -0.475 5.292 5.237 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30557_6nm2 1
. 3 . 487 . 1 1 5 ARG O O 4.485 1.893 0.369 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30557_6nm2 1
. 3 . 488 . 1 1 6 LYS C C 4.437 -0.987 1.130 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c30557_6nm2 1
. 3 . 489 . 1 1 6 LYS CA C 3.776 -0.067 2.150 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c30557_6nm2 1
. 3 . 490 . 1 1 6 LYS CB C 3.052 -0.861 3.260 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c30557_6nm2 1
. 3 . 491 . 1 1 6 LYS CD C 2.603 -3.167 4.152 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c30557_6nm2 1
. 3 . 492 . 1 1 6 LYS CE C 1.586 -4.266 3.830 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c30557_6nm2 1
. 3 . 493 . 1 1 6 LYS CG C 2.900 -2.346 2.887 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c30557_6nm2 1
. 3 . 494 . 1 1 6 LYS H H 1.881 0.736 1.633 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c30557_6nm2 1
. 3 . 495 . 1 1 6 LYS HA H 4.546 0.539 2.603 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c30557_6nm2 1
. 3 . 496 . 1 1 6 LYS HB2 H 3.618 -0.785 4.178 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c30557_6nm2 1
. 3 . 497 . 1 1 6 LYS HB3 H 2.072 -0.435 3.416 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c30557_6nm2 1
. 3 . 498 . 1 1 6 LYS HD2 H 3.519 -3.619 4.509 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c30557_6nm2 1
. 3 . 499 . 1 1 6 LYS HD3 H 2.204 -2.520 4.917 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c30557_6nm2 1
. 3 . 500 . 1 1 6 LYS HE2 H 0.683 -3.820 3.442 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c30557_6nm2 1
. 3 . 501 . 1 1 6 LYS HE3 H 2.001 -4.937 3.093 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c30557_6nm2 1
. 3 . 502 . 1 1 6 LYS HG2 H 2.089 -2.456 2.186 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c30557_6nm2 1
. 3 . 503 . 1 1 6 LYS HG3 H 3.812 -2.706 2.442 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c30557_6nm2 1
. 3 . 504 . 1 1 6 LYS HZ1 H 1.927 -5.828 5.165 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c30557_6nm2 1
. 3 . 505 . 1 1 6 LYS HZ2 H 0.294 -5.384 5.020 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c30557_6nm2 1
. 3 . 506 . 1 1 6 LYS HZ3 H 1.369 -4.403 5.897 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c30557_6nm2 1
. 3 . 507 . 1 1 6 LYS N N 2.843 0.822 1.469 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c30557_6nm2 1
. 3 . 508 . 1 1 6 LYS NZ N 1.270 -5.028 5.071 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c30557_6nm2 1
. 3 . 509 . 1 1 6 LYS O O 5.643 -1.226 1.184 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c30557_6nm2 1
. 3 . 510 . 1 1 7 ILE C C 4.961 -1.457 -1.841 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . c30557_6nm2 1
. 3 . 511 . 1 1 7 ILE CA C 4.177 -2.331 -0.867 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . c30557_6nm2 1
. 3 . 512 . 1 1 7 ILE CB C 3.021 -3.063 -1.585 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . c30557_6nm2 1
. 3 . 513 . 1 1 7 ILE CD1 C 4.738 -4.277 -2.971 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . c30557_6nm2 1
. 3 . 514 . 1 1 7 ILE CG1 C 3.484 -4.430 -2.107 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . c30557_6nm2 1
. 3 . 515 . 1 1 7 ILE CG2 C 2.526 -2.237 -2.762 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . c30557_6nm2 1
. 3 . 516 . 1 1 7 ILE H H 2.697 -1.229 0.168 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . c30557_6nm2 1
. 3 . 517 . 1 1 7 ILE HA H 4.845 -3.053 -0.425 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . c30557_6nm2 1
. 3 . 518 . 1 1 7 ILE HB H 2.202 -3.202 -0.894 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . c30557_6nm2 1
. 3 . 519 . 1 1 7 ILE HD11 H 4.626 -3.421 -3.621 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . c30557_6nm2 1
. 3 . 520 . 1 1 7 ILE HD12 H 4.871 -5.165 -3.571 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . c30557_6nm2 1
. 3 . 521 . 1 1 7 ILE HD13 H 5.599 -4.140 -2.337 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . c30557_6nm2 1
. 3 . 522 . 1 1 7 ILE HG12 H 3.699 -5.079 -1.272 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . c30557_6nm2 1
. 3 . 523 . 1 1 7 ILE HG13 H 2.696 -4.864 -2.708 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . c30557_6nm2 1
. 3 . 524 . 1 1 7 ILE HG21 H 1.538 -2.566 -3.045 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . c30557_6nm2 1
. 3 . 525 . 1 1 7 ILE HG22 H 3.200 -2.365 -3.586 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . c30557_6nm2 1
. 3 . 526 . 1 1 7 ILE HG23 H 2.492 -1.202 -2.480 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . c30557_6nm2 1
. 3 . 527 . 1 1 7 ILE N N 3.645 -1.473 0.179 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . c30557_6nm2 1
. 3 . 528 . 1 1 7 ILE O O 5.883 -1.910 -2.518 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . c30557_6nm2 1
. 3 . 529 . 1 1 8 TRP C C 6.007 1.804 -1.900 . . . 1.0 . . . . . . . . . . . . A . 8 TRP C . . . . . . . . . c30557_6nm2 1
. 3 . 530 . 1 1 8 TRP CA C 5.242 0.792 -2.743 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CA . . . . . . . . . c30557_6nm2 1
. 3 . 531 . 1 1 8 TRP CB C 4.195 1.507 -3.604 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CB . . . . . . . . . c30557_6nm2 1
. 3 . 532 . 1 1 8 TRP CD1 C 2.051 0.418 -4.340 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CD1 . . . . . . . . . c30557_6nm2 1
. 3 . 533 . 1 1 8 TRP CD2 C 3.862 -0.624 -5.173 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CD2 . . . . . . . . . c30557_6nm2 1
. 3 . 534 . 1 1 8 TRP CE2 C 2.729 -1.341 -5.626 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CE2 . . . . . . . . . c30557_6nm2 1
. 3 . 535 . 1 1 8 TRP CE3 C 5.135 -1.081 -5.569 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CE3 . . . . . . . . . c30557_6nm2 1
. 3 . 536 . 1 1 8 TRP CG C 3.397 0.484 -4.340 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CG . . . . . . . . . c30557_6nm2 1
. 3 . 537 . 1 1 8 TRP CH2 C 4.120 -2.909 -6.816 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CH2 . . . . . . . . . c30557_6nm2 1
. 3 . 538 . 1 1 8 TRP CZ2 C 2.853 -2.469 -6.435 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CZ2 . . . . . . . . . c30557_6nm2 1
. 3 . 539 . 1 1 8 TRP CZ3 C 5.259 -2.215 -6.387 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CZ3 . . . . . . . . . c30557_6nm2 1
. 3 . 540 . 1 1 8 TRP H H 3.850 0.117 -1.300 . . . 1.0 . . . . . . . . . . . . A . 8 TRP H . . . . . . . . . c30557_6nm2 1
. 3 . 541 . 1 1 8 TRP HA H 5.936 0.281 -3.385 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HA . . . . . . . . . c30557_6nm2 1
. 3 . 542 . 1 1 8 TRP HB2 H 3.539 2.081 -2.966 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HB2 . . . . . . . . . c30557_6nm2 1
. 3 . 543 . 1 1 8 TRP HB3 H 4.676 2.162 -4.302 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HB3 . . . . . . . . . c30557_6nm2 1
. 3 . 544 . 1 1 8 TRP HD1 H 1.390 1.092 -3.821 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HD1 . . . . . . . . . c30557_6nm2 1
. 3 . 545 . 1 1 8 TRP HE1 H 0.733 -0.943 -5.219 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HE1 . . . . . . . . . c30557_6nm2 1
. 3 . 546 . 1 1 8 TRP HE3 H 6.020 -0.556 -5.252 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HE3 . . . . . . . . . c30557_6nm2 1
. 3 . 547 . 1 1 8 TRP HH2 H 4.222 -3.783 -7.439 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HH2 . . . . . . . . . c30557_6nm2 1
. 3 . 548 . 1 1 8 TRP HZ2 H 1.975 -3.003 -6.759 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HZ2 . . . . . . . . . c30557_6nm2 1
. 3 . 549 . 1 1 8 TRP HZ3 H 6.239 -2.558 -6.685 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HZ3 . . . . . . . . . c30557_6nm2 1
. 3 . 550 . 1 1 8 TRP N N 4.584 -0.180 -1.879 . . . 1.0 . . . . . . . . . . . . A . 8 TRP N . . . . . . . . . c30557_6nm2 1
. 3 . 551 . 1 1 8 TRP NE1 N 1.656 -0.671 -5.081 . . . 1.0 . . . . . . . . . . . . A . 8 TRP NE1 . . . . . . . . . c30557_6nm2 1
. 3 . 552 . 1 1 8 TRP O O 6.140 2.966 -2.282 . . . 1.0 . . . . . . . . . . . . A . 8 TRP O . . . . . . . . . c30557_6nm2 1
. 3 . 553 . 1 1 9 NH2 HN1 H 6.414 0.489 -0.466 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN1 . . . . . . . . . c30557_6nm2 1
. 3 . 554 . 1 1 9 NH2 HN2 H 7.023 2.056 -0.213 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN2 . . . . . . . . . c30557_6nm2 1
. 3 . 555 . 1 1 9 NH2 N N 6.525 1.419 -0.766 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 N . . . . . . . . . c30557_6nm2 1
. 4 . 556 . 1 1 1 TRP C C -3.781 2.937 2.109 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30557_6nm2 1
. 4 . 557 . 1 1 1 TRP CA C -4.790 2.891 0.968 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30557_6nm2 1
. 4 . 558 . 1 1 1 TRP CB C -4.463 1.691 0.074 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30557_6nm2 1
. 4 . 559 . 1 1 1 TRP CD1 C -6.385 0.784 -1.273 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30557_6nm2 1
. 4 . 560 . 1 1 1 TRP CD2 C -5.369 2.522 -2.254 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30557_6nm2 1
. 4 . 561 . 1 1 1 TRP CE2 C -6.415 2.133 -3.119 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30557_6nm2 1
. 4 . 562 . 1 1 1 TRP CE3 C -4.559 3.597 -2.627 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30557_6nm2 1
. 4 . 563 . 1 1 1 TRP CG C -5.377 1.662 -1.095 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30557_6nm2 1
. 4 . 564 . 1 1 1 TRP CH2 C -5.825 3.869 -4.682 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30557_6nm2 1
. 4 . 565 . 1 1 1 TRP CZ2 C -6.647 2.796 -4.324 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30557_6nm2 1
. 4 . 566 . 1 1 1 TRP CZ3 C -4.783 4.265 -3.830 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30557_6nm2 1
. 4 . 567 . 1 1 1 TRP H1 H -4.917 4.960 0.780 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c30557_6nm2 1
. 4 . 568 . 1 1 1 TRP H2 H -5.373 4.108 -0.617 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H2 . . . . . . . . . c30557_6nm2 1
. 4 . 569 . 1 1 1 TRP H3 H -3.732 4.249 -0.202 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H3 . . . . . . . . . c30557_6nm2 1
. 4 . 570 . 1 1 1 TRP HA H -5.787 2.789 1.358 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30557_6nm2 1
. 4 . 571 . 1 1 1 TRP HB2 H -3.449 1.780 -0.269 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30557_6nm2 1
. 4 . 572 . 1 1 1 TRP HB3 H -4.570 0.778 0.633 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30557_6nm2 1
. 4 . 573 . 1 1 1 TRP HD1 H -6.657 -0.002 -0.585 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30557_6nm2 1
. 4 . 574 . 1 1 1 TRP HE1 H -7.780 0.579 -2.842 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30557_6nm2 1
. 4 . 575 . 1 1 1 TRP HE3 H -3.752 3.911 -1.983 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30557_6nm2 1
. 4 . 576 . 1 1 1 TRP HH2 H -5.992 4.393 -5.612 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30557_6nm2 1
. 4 . 577 . 1 1 1 TRP HZ2 H -7.452 2.485 -4.973 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30557_6nm2 1
. 4 . 578 . 1 1 1 TRP HZ3 H -4.146 5.083 -4.098 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30557_6nm2 1
. 4 . 579 . 1 1 1 TRP N N -4.696 4.147 0.172 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30557_6nm2 1
. 4 . 580 . 1 1 1 TRP NE1 N -7.012 1.065 -2.476 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30557_6nm2 1
. 4 . 581 . 1 1 1 TRP O O -3.690 3.918 2.847 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30557_6nm2 1
. 4 . 582 . 1 1 2 TRP C C -1.049 0.609 2.832 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c30557_6nm2 1
. 4 . 583 . 1 1 2 TRP CA C -1.981 1.734 3.228 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c30557_6nm2 1
. 4 . 584 . 1 1 2 TRP CB C -2.586 1.455 4.594 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c30557_6nm2 1
. 4 . 585 . 1 1 2 TRP CD1 C -4.596 -0.003 4.255 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c30557_6nm2 1
. 4 . 586 . 1 1 2 TRP CD2 C -2.743 -1.143 4.755 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c30557_6nm2 1
. 4 . 587 . 1 1 2 TRP CE2 C -3.762 -2.103 4.606 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c30557_6nm2 1
. 4 . 588 . 1 1 2 TRP CE3 C -1.456 -1.567 5.067 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c30557_6nm2 1
. 4 . 589 . 1 1 2 TRP CG C -3.294 0.164 4.538 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c30557_6nm2 1
. 4 . 590 . 1 1 2 TRP CH2 C -2.211 -3.884 5.088 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c30557_6nm2 1
. 4 . 591 . 1 1 2 TRP CZ2 C -3.508 -3.464 4.770 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c30557_6nm2 1
. 4 . 592 . 1 1 2 TRP CZ3 C -1.183 -2.936 5.234 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c30557_6nm2 1
. 4 . 593 . 1 1 2 TRP H H -3.140 1.128 1.578 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c30557_6nm2 1
. 4 . 594 . 1 1 2 TRP HA H -1.420 2.639 3.274 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c30557_6nm2 1
. 4 . 595 . 1 1 2 TRP HB2 H -1.799 1.404 5.333 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c30557_6nm2 1
. 4 . 596 . 1 1 2 TRP HB3 H -3.272 2.233 4.856 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c30557_6nm2 1
. 4 . 597 . 1 1 2 TRP HD1 H -5.292 0.789 4.032 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c30557_6nm2 1
. 4 . 598 . 1 1 2 TRP HE1 H -5.759 -1.753 4.128 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c30557_6nm2 1
. 4 . 599 . 1 1 2 TRP HE3 H -0.670 -0.825 5.167 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c30557_6nm2 1
. 4 . 600 . 1 1 2 TRP HH2 H -2.000 -4.934 5.215 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c30557_6nm2 1
. 4 . 601 . 1 1 2 TRP HZ2 H -4.303 -4.186 4.656 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c30557_6nm2 1
. 4 . 602 . 1 1 2 TRP HZ3 H -0.185 -3.261 5.481 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c30557_6nm2 1
. 4 . 603 . 1 1 2 TRP N N -3.014 1.860 2.216 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c30557_6nm2 1
. 4 . 604 . 1 1 2 TRP NE1 N -4.884 -1.357 4.297 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c30557_6nm2 1
. 4 . 605 . 1 1 2 TRP O O 0.168 0.719 2.964 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c30557_6nm2 1
. 4 . 606 . 1 1 3 TRP C C -0.158 -1.216 0.537 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . c30557_6nm2 1
. 4 . 607 . 1 1 3 TRP CA C -0.817 -1.582 1.858 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . c30557_6nm2 1
. 4 . 608 . 1 1 3 TRP CB C -1.661 -2.827 1.659 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . c30557_6nm2 1
. 4 . 609 . 1 1 3 TRP CD1 C -3.887 -1.838 1.188 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . c30557_6nm2 1
. 4 . 610 . 1 1 3 TRP CD2 C -2.931 -2.728 -0.616 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . c30557_6nm2 1
. 4 . 611 . 1 1 3 TRP CE2 C -4.176 -2.227 -1.041 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . c30557_6nm2 1
. 4 . 612 . 1 1 3 TRP CE3 C -2.102 -3.345 -1.546 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . c30557_6nm2 1
. 4 . 613 . 1 1 3 TRP CG C -2.790 -2.483 0.790 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . c30557_6nm2 1
. 4 . 614 . 1 1 3 TRP CH2 C -3.744 -2.951 -3.295 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . c30557_6nm2 1
. 4 . 615 . 1 1 3 TRP CZ2 C -4.590 -2.335 -2.368 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . c30557_6nm2 1
. 4 . 616 . 1 1 3 TRP CZ3 C -2.500 -3.453 -2.877 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . c30557_6nm2 1
. 4 . 617 . 1 1 3 TRP H H -2.602 -0.495 2.206 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . c30557_6nm2 1
. 4 . 618 . 1 1 3 TRP HA H -0.070 -1.786 2.588 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . c30557_6nm2 1
. 4 . 619 . 1 1 3 TRP HB2 H -1.070 -3.597 1.190 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . c30557_6nm2 1
. 4 . 620 . 1 1 3 TRP HB3 H -2.032 -3.180 2.599 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . c30557_6nm2 1
. 4 . 621 . 1 1 3 TRP HD1 H -4.076 -1.501 2.190 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . c30557_6nm2 1
. 4 . 622 . 1 1 3 TRP HE1 H -5.595 -1.264 0.127 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . c30557_6nm2 1
. 4 . 623 . 1 1 3 TRP HE3 H -1.142 -3.730 -1.232 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . c30557_6nm2 1
. 4 . 624 . 1 1 3 TRP HH2 H -4.045 -3.039 -4.328 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . c30557_6nm2 1
. 4 . 625 . 1 1 3 TRP HZ2 H -5.548 -1.944 -2.676 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . c30557_6nm2 1
. 4 . 626 . 1 1 3 TRP HZ3 H -1.841 -3.907 -3.581 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . c30557_6nm2 1
. 4 . 627 . 1 1 3 TRP N N -1.625 -0.467 2.309 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . c30557_6nm2 1
. 4 . 628 . 1 1 3 TRP NE1 N -4.727 -1.691 0.105 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . c30557_6nm2 1
. 4 . 629 . 1 1 3 TRP O O 0.873 -1.772 0.168 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . c30557_6nm2 1
. 4 . 630 . 1 1 4 LEU C C 1.070 0.918 -1.260 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30557_6nm2 1
. 4 . 631 . 1 1 4 LEU CA C -0.239 0.167 -1.462 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30557_6nm2 1
. 4 . 632 . 1 1 4 LEU CB C -1.256 1.095 -2.160 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30557_6nm2 1
. 4 . 633 . 1 1 4 LEU CD1 C -1.602 -0.864 -3.730 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30557_6nm2 1
. 4 . 634 . 1 1 4 LEU CD2 C -2.912 1.216 -4.010 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30557_6nm2 1
. 4 . 635 . 1 1 4 LEU CG C -1.550 0.659 -3.609 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30557_6nm2 1
. 4 . 636 . 1 1 4 LEU H H -1.595 0.141 0.172 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30557_6nm2 1
. 4 . 637 . 1 1 4 LEU HA H -0.055 -0.698 -2.076 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30557_6nm2 1
. 4 . 638 . 1 1 4 LEU HB2 H -2.174 1.089 -1.603 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30557_6nm2 1
. 4 . 639 . 1 1 4 LEU HB3 H -0.866 2.104 -2.172 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30557_6nm2 1
. 4 . 640 . 1 1 4 LEU HD11 H -1.912 -1.276 -2.789 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30557_6nm2 1
. 4 . 641 . 1 1 4 LEU HD12 H -0.626 -1.243 -3.993 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30557_6nm2 1
. 4 . 642 . 1 1 4 LEU HD13 H -2.311 -1.143 -4.496 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30557_6nm2 1
. 4 . 643 . 1 1 4 LEU HD21 H -3.657 0.876 -3.303 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30557_6nm2 1
. 4 . 644 . 1 1 4 LEU HD22 H -3.166 0.864 -4.996 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30557_6nm2 1
. 4 . 645 . 1 1 4 LEU HD23 H -2.872 2.292 -4.004 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30557_6nm2 1
. 4 . 646 . 1 1 4 LEU HG H -0.791 1.050 -4.270 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30557_6nm2 1
. 4 . 647 . 1 1 4 LEU N N -0.770 -0.270 -0.175 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30557_6nm2 1
. 4 . 648 . 1 1 4 LEU O O 2.075 0.621 -1.895 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30557_6nm2 1
. 4 . 649 . 1 1 5 ARG C C 3.311 1.825 0.596 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30557_6nm2 1
. 4 . 650 . 1 1 5 ARG CA C 2.268 2.668 -0.132 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30557_6nm2 1
. 4 . 651 . 1 1 5 ARG CB C 1.942 3.925 0.677 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30557_6nm2 1
. 4 . 652 . 1 1 5 ARG CD C 1.149 4.285 3.026 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30557_6nm2 1
. 4 . 653 . 1 1 5 ARG CG C 0.824 3.625 1.686 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30557_6nm2 1
. 4 . 654 . 1 1 5 ARG CZ C 0.888 6.480 4.030 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30557_6nm2 1
. 4 . 655 . 1 1 5 ARG H H 0.235 2.109 0.120 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30557_6nm2 1
. 4 . 656 . 1 1 5 ARG HA H 2.678 2.966 -1.087 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30557_6nm2 1
. 4 . 657 . 1 1 5 ARG HB2 H 2.826 4.245 1.200 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30557_6nm2 1
. 4 . 658 . 1 1 5 ARG HB3 H 1.619 4.708 0.008 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30557_6nm2 1
. 4 . 659 . 1 1 5 ARG HD2 H 0.488 3.892 3.782 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30557_6nm2 1
. 4 . 660 . 1 1 5 ARG HD3 H 2.172 4.063 3.295 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30557_6nm2 1
. 4 . 661 . 1 1 5 ARG HE H 0.920 6.154 2.056 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30557_6nm2 1
. 4 . 662 . 1 1 5 ARG HG2 H -0.113 4.013 1.312 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30557_6nm2 1
. 4 . 663 . 1 1 5 ARG HG3 H 0.739 2.560 1.828 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30557_6nm2 1
. 4 . 664 . 1 1 5 ARG HH11 H 0.673 8.196 3.021 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30557_6nm2 1
. 4 . 665 . 1 1 5 ARG HH12 H 0.663 8.337 4.747 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30557_6nm2 1
. 4 . 666 . 1 1 5 ARG HH21 H 1.084 4.938 5.292 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30557_6nm2 1
. 4 . 667 . 1 1 5 ARG HH22 H 0.897 6.492 6.033 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30557_6nm2 1
. 4 . 668 . 1 1 5 ARG N N 1.060 1.898 -0.373 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30557_6nm2 1
. 4 . 669 . 1 1 5 ARG NE N 0.975 5.729 2.937 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30557_6nm2 1
. 4 . 670 . 1 1 5 ARG NH1 N 0.730 7.772 3.925 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30557_6nm2 1
. 4 . 671 . 1 1 5 ARG NH2 N 0.962 5.927 5.210 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30557_6nm2 1
. 4 . 672 . 1 1 5 ARG O O 4.511 2.031 0.419 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30557_6nm2 1
. 4 . 673 . 1 1 6 LYS C C 4.460 -0.944 1.126 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c30557_6nm2 1
. 4 . 674 . 1 1 6 LYS CA C 3.798 0.006 2.114 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c30557_6nm2 1
. 4 . 675 . 1 1 6 LYS CB C 3.085 -0.764 3.244 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c30557_6nm2 1
. 4 . 676 . 1 1 6 LYS CD C 2.315 -2.992 4.065 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c30557_6nm2 1
. 4 . 677 . 1 1 6 LYS CE C 1.544 -4.232 3.608 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c30557_6nm2 1
. 4 . 678 . 1 1 6 LYS CG C 2.828 -2.224 2.847 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c30557_6nm2 1
. 4 . 679 . 1 1 6 LYS H H 1.895 0.726 1.504 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c30557_6nm2 1
. 4 . 680 . 1 1 6 LYS HA H 4.565 0.630 2.549 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c30557_6nm2 1
. 4 . 681 . 1 1 6 LYS HB2 H 3.701 -0.745 4.132 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c30557_6nm2 1
. 4 . 682 . 1 1 6 LYS HB3 H 2.143 -0.286 3.459 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c30557_6nm2 1
. 4 . 683 . 1 1 6 LYS HD2 H 3.152 -3.295 4.677 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c30557_6nm2 1
. 4 . 684 . 1 1 6 LYS HD3 H 1.661 -2.355 4.641 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c30557_6nm2 1
. 4 . 685 . 1 1 6 LYS HE2 H 1.257 -4.815 4.469 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c30557_6nm2 1
. 4 . 686 . 1 1 6 LYS HE3 H 0.660 -3.927 3.068 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c30557_6nm2 1
. 4 . 687 . 1 1 6 LYS HG2 H 2.092 -2.259 2.060 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c30557_6nm2 1
. 4 . 688 . 1 1 6 LYS HG3 H 3.744 -2.678 2.509 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c30557_6nm2 1
. 4 . 689 . 1 1 6 LYS HZ1 H 2.992 -4.428 2.125 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c30557_6nm2 1
. 4 . 690 . 1 1 6 LYS HZ2 H 1.814 -5.652 2.109 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c30557_6nm2 1
. 4 . 691 . 1 1 6 LYS HZ3 H 3.031 -5.655 3.295 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c30557_6nm2 1
. 4 . 692 . 1 1 6 LYS N N 2.860 0.864 1.400 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c30557_6nm2 1
. 4 . 693 . 1 1 6 LYS NZ N 2.411 -5.054 2.717 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c30557_6nm2 1
. 4 . 694 . 1 1 6 LYS O O 5.675 -1.142 1.158 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c30557_6nm2 1
. 4 . 695 . 1 1 7 ILE C C 5.018 -1.554 -1.756 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . c30557_6nm2 1
. 4 . 696 . 1 1 7 ILE CA C 4.194 -2.397 -0.790 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . c30557_6nm2 1
. 4 . 697 . 1 1 7 ILE CB C 3.041 -3.119 -1.527 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . c30557_6nm2 1
. 4 . 698 . 1 1 7 ILE CD1 C 4.778 -4.401 -2.821 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . c30557_6nm2 1
. 4 . 699 . 1 1 7 ILE CG1 C 3.489 -4.508 -2.003 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . c30557_6nm2 1
. 4 . 700 . 1 1 7 ILE CG2 C 2.602 -2.307 -2.737 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . c30557_6nm2 1
. 4 . 701 . 1 1 7 ILE H H 2.705 -1.290 0.224 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . c30557_6nm2 1
. 4 . 702 . 1 1 7 ILE HA H 4.834 -3.123 -0.314 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . c30557_6nm2 1
. 4 . 703 . 1 1 7 ILE HB H 2.197 -3.225 -0.860 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . c30557_6nm2 1
. 4 . 704 . 1 1 7 ILE HD11 H 4.920 -5.311 -3.386 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . c30557_6nm2 1
. 4 . 705 . 1 1 7 ILE HD12 H 5.617 -4.257 -2.159 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . c30557_6nm2 1
. 4 . 706 . 1 1 7 ILE HD13 H 4.705 -3.566 -3.502 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . c30557_6nm2 1
. 4 . 707 . 1 1 7 ILE HG12 H 3.657 -5.143 -1.148 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . c30557_6nm2 1
. 4 . 708 . 1 1 7 ILE HG13 H 2.715 -4.934 -2.625 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . c30557_6nm2 1
. 4 . 709 . 1 1 7 ILE HG21 H 3.293 -2.477 -3.541 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . c30557_6nm2 1
. 4 . 710 . 1 1 7 ILE HG22 H 2.593 -1.264 -2.482 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . c30557_6nm2 1
. 4 . 711 . 1 1 7 ILE HG23 H 1.612 -2.615 -3.039 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . c30557_6nm2 1
. 4 . 712 . 1 1 7 ILE N N 3.659 -1.504 0.223 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . c30557_6nm2 1
. 4 . 713 . 1 1 7 ILE O O 5.944 -2.036 -2.408 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . c30557_6nm2 1
. 4 . 714 . 1 1 8 TRP C C 6.105 1.699 -1.823 . . . 1.0 . . . . . . . . . . . . A . 8 TRP C . . . . . . . . . c30557_6nm2 1
. 4 . 715 . 1 1 8 TRP CA C 5.359 0.680 -2.673 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CA . . . . . . . . . c30557_6nm2 1
. 4 . 716 . 1 1 8 TRP CB C 4.345 1.387 -3.578 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CB . . . . . . . . . c30557_6nm2 1
. 4 . 717 . 1 1 8 TRP CD1 C 2.221 0.311 -4.392 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CD1 . . . . . . . . . c30557_6nm2 1
. 4 . 718 . 1 1 8 TRP CD2 C 4.056 -0.771 -5.119 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CD2 . . . . . . . . . c30557_6nm2 1
. 4 . 719 . 1 1 8 TRP CE2 C 2.935 -1.483 -5.609 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CE2 . . . . . . . . . c30557_6nm2 1
. 4 . 720 . 1 1 8 TRP CE3 C 5.339 -1.253 -5.447 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CE3 . . . . . . . . . c30557_6nm2 1
. 4 . 721 . 1 1 8 TRP CG C 3.569 0.358 -4.330 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CG . . . . . . . . . c30557_6nm2 1
. 4 . 722 . 1 1 8 TRP CH2 C 4.356 -3.093 -6.703 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CH2 . . . . . . . . . c30557_6nm2 1
. 4 . 723 . 1 1 8 TRP CZ2 C 3.080 -2.629 -6.390 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CZ2 . . . . . . . . . c30557_6nm2 1
. 4 . 724 . 1 1 8 TRP CZ3 C 5.485 -2.405 -6.236 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CZ3 . . . . . . . . . c30557_6nm2 1
. 4 . 725 . 1 1 8 TRP H H 3.929 0.045 -1.254 . . . 1.0 . . . . . . . . . . . . A . 8 TRP H . . . . . . . . . c30557_6nm2 1
. 4 . 726 . 1 1 8 TRP HA H 6.067 0.151 -3.282 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HA . . . . . . . . . c30557_6nm2 1
. 4 . 727 . 1 1 8 TRP HB2 H 3.670 1.971 -2.970 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HB2 . . . . . . . . . c30557_6nm2 1
. 4 . 728 . 1 1 8 TRP HB3 H 4.852 2.033 -4.266 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HB3 . . . . . . . . . c30557_6nm2 1
. 4 . 729 . 1 1 8 TRP HD1 H 1.546 1.003 -3.918 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HD1 . . . . . . . . . c30557_6nm2 1
. 4 . 730 . 1 1 8 TRP HE1 H 0.928 -1.051 -5.302 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HE1 . . . . . . . . . c30557_6nm2 1
. 4 . 731 . 1 1 8 TRP HE3 H 6.216 -0.734 -5.100 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HE3 . . . . . . . . . c30557_6nm2 1
. 4 . 732 . 1 1 8 TRP HH2 H 4.474 -3.980 -7.303 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HH2 . . . . . . . . . c30557_6nm2 1
. 4 . 733 . 1 1 8 TRP HZ2 H 2.209 -3.158 -6.743 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HZ2 . . . . . . . . . c30557_6nm2 1
. 4 . 734 . 1 1 8 TRP HZ3 H 6.473 -2.768 -6.481 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HZ3 . . . . . . . . . c30557_6nm2 1
. 4 . 735 . 1 1 8 TRP N N 4.668 -0.271 -1.814 . . . 1.0 . . . . . . . . . . . . A . 8 TRP N . . . . . . . . . c30557_6nm2 1
. 4 . 736 . 1 1 8 TRP NE1 N 1.847 -0.788 -5.128 . . . 1.0 . . . . . . . . . . . . A . 8 TRP NE1 . . . . . . . . . c30557_6nm2 1
. 4 . 737 . 1 1 8 TRP O O 6.295 2.842 -2.237 . . . 1.0 . . . . . . . . . . . . A . 8 TRP O . . . . . . . . . c30557_6nm2 1
. 4 . 738 . 1 1 9 NH2 HN1 H 6.388 0.426 -0.323 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN1 . . . . . . . . . c30557_6nm2 1
. 4 . 739 . 1 1 9 NH2 HN2 H 7.028 1.985 -0.088 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN2 . . . . . . . . . c30557_6nm2 1
. 4 . 740 . 1 1 9 NH2 N N 6.544 1.341 -0.647 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 N . . . . . . . . . c30557_6nm2 1
. 5 . 741 . 1 1 1 TRP C C -3.618 3.029 1.976 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c30557_6nm2 1
. 5 . 742 . 1 1 1 TRP CA C -4.661 2.975 0.866 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c30557_6nm2 1
. 5 . 743 . 1 1 1 TRP CB C -4.390 1.739 0.003 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c30557_6nm2 1
. 5 . 744 . 1 1 1 TRP CD1 C -6.357 0.860 -1.296 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c30557_6nm2 1
. 5 . 745 . 1 1 1 TRP CD2 C -5.304 2.544 -2.331 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c30557_6nm2 1
. 5 . 746 . 1 1 1 TRP CE2 C -6.374 2.166 -3.172 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c30557_6nm2 1
. 5 . 747 . 1 1 1 TRP CE3 C -4.468 3.586 -2.741 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c30557_6nm2 1
. 5 . 748 . 1 1 1 TRP CG C -5.321 1.710 -1.153 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c30557_6nm2 1
. 5 . 749 . 1 1 1 TRP CH2 C -5.756 3.848 -4.784 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c30557_6nm2 1
. 5 . 750 . 1 1 1 TRP CZ2 C -6.604 2.809 -4.389 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c30557_6nm2 1
. 5 . 751 . 1 1 1 TRP CZ3 C -4.689 4.232 -3.955 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c30557_6nm2 1
. 5 . 752 . 1 1 1 TRP H1 H -4.891 5.022 0.572 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c30557_6nm2 1
. 5 . 753 . 1 1 1 TRP H2 H -5.140 4.089 -0.826 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H2 . . . . . . . . . c30557_6nm2 1
. 5 . 754 . 1 1 1 TRP H3 H -3.565 4.352 -0.246 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H3 . . . . . . . . . c30557_6nm2 1
. 5 . 755 . 1 1 1 TRP HA H -5.648 2.912 1.286 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c30557_6nm2 1
. 5 . 756 . 1 1 1 TRP HB2 H -3.379 1.780 -0.355 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c30557_6nm2 1
. 5 . 757 . 1 1 1 TRP HB3 H -4.523 0.846 0.588 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c30557_6nm2 1
. 5 . 758 . 1 1 1 TRP HD1 H -6.642 0.097 -0.587 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c30557_6nm2 1
. 5 . 759 . 1 1 1 TRP HE1 H -7.780 0.661 -2.841 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c30557_6nm2 1
. 5 . 760 . 1 1 1 TRP HE3 H -3.643 3.891 -2.115 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c30557_6nm2 1
. 5 . 761 . 1 1 1 TRP HH2 H -5.920 4.355 -5.723 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c30557_6nm2 1
. 5 . 762 . 1 1 1 TRP HZ2 H -7.427 2.507 -5.019 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c30557_6nm2 1
. 5 . 763 . 1 1 1 TRP HZ3 H -4.033 5.025 -4.251 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c30557_6nm2 1
. 5 . 764 . 1 1 1 TRP N N -4.556 4.202 0.028 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c30557_6nm2 1
. 5 . 765 . 1 1 1 TRP NE1 N -6.993 1.131 -2.496 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c30557_6nm2 1
. 5 . 766 . 1 1 1 TRP O O -3.373 4.077 2.575 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c30557_6nm2 1
. 5 . 767 . 1 1 2 TRP C C -1.026 0.626 2.819 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . c30557_6nm2 1
. 5 . 768 . 1 1 2 TRP CA C -1.951 1.757 3.219 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . c30557_6nm2 1
. 5 . 769 . 1 1 2 TRP CB C -2.547 1.485 4.589 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . c30557_6nm2 1
. 5 . 770 . 1 1 2 TRP CD1 C -4.570 0.038 4.266 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . c30557_6nm2 1
. 5 . 771 . 1 1 2 TRP CD2 C -2.721 -1.112 4.755 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . c30557_6nm2 1
. 5 . 772 . 1 1 2 TRP CE2 C -3.747 -2.067 4.616 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . c30557_6nm2 1
. 5 . 773 . 1 1 2 TRP CE3 C -1.436 -1.545 5.060 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . c30557_6nm2 1
. 5 . 774 . 1 1 2 TRP CG C -3.266 0.197 4.540 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . c30557_6nm2 1
. 5 . 775 . 1 1 2 TRP CH2 C -2.206 -3.856 5.090 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . c30557_6nm2 1
. 5 . 776 . 1 1 2 TRP CZ2 C -3.501 -3.429 4.780 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . c30557_6nm2 1
. 5 . 777 . 1 1 2 TRP CZ3 C -1.171 -2.915 5.228 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . c30557_6nm2 1
. 5 . 778 . 1 1 2 TRP H H -3.233 1.096 1.683 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . c30557_6nm2 1
. 5 . 779 . 1 1 2 TRP HA H -1.388 2.660 3.258 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . c30557_6nm2 1
. 5 . 780 . 1 1 2 TRP HB2 H -1.755 1.429 5.321 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . c30557_6nm2 1
. 5 . 781 . 1 1 2 TRP HB3 H -3.225 2.267 4.855 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . c30557_6nm2 1
. 5 . 782 . 1 1 2 TRP HD1 H -5.263 0.835 4.047 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . c30557_6nm2 1
. 5 . 783 . 1 1 2 TRP HE1 H -5.745 -1.704 4.150 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . c30557_6nm2 1
. 5 . 784 . 1 1 2 TRP HE3 H -0.644 -0.806 5.154 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . c30557_6nm2 1
. 5 . 785 . 1 1 2 TRP HH2 H -2.000 -4.907 5.218 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . c30557_6nm2 1
. 5 . 786 . 1 1 2 TRP HZ2 H -4.302 -4.145 4.672 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . c30557_6nm2 1
. 5 . 787 . 1 1 2 TRP HZ3 H -0.172 -3.246 5.469 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . c30557_6nm2 1
. 5 . 788 . 1 1 2 TRP N N -2.995 1.883 2.214 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . c30557_6nm2 1
. 5 . 789 . 1 1 2 TRP NE1 N -4.867 -1.313 4.312 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . c30557_6nm2 1
. 5 . 790 . 1 1 2 TRP O O 0.192 0.736 2.938 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . c30557_6nm2 1
. 5 . 791 . 1 1 3 TRP C C -0.154 -1.225 0.537 . . . 1.0 . . . . . . . . . . . . A . 3 TRP C . . . . . . . . . c30557_6nm2 1
. 5 . 792 . 1 1 3 TRP CA C -0.812 -1.577 1.864 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CA . . . . . . . . . c30557_6nm2 1
. 5 . 793 . 1 1 3 TRP CB C -1.664 -2.818 1.676 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CB . . . . . . . . . c30557_6nm2 1
. 5 . 794 . 1 1 3 TRP CD1 C -3.879 -1.815 1.184 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD1 . . . . . . . . . c30557_6nm2 1
. 5 . 795 . 1 1 3 TRP CD2 C -2.920 -2.733 -0.605 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CD2 . . . . . . . . . c30557_6nm2 1
. 5 . 796 . 1 1 3 TRP CE2 C -4.157 -2.224 -1.044 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE2 . . . . . . . . . c30557_6nm2 1
. 5 . 797 . 1 1 3 TRP CE3 C -2.090 -3.366 -1.524 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CE3 . . . . . . . . . c30557_6nm2 1
. 5 . 798 . 1 1 3 TRP CG C -2.785 -2.472 0.798 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CG . . . . . . . . . c30557_6nm2 1
. 5 . 799 . 1 1 3 TRP CH2 C -3.717 -2.976 -3.287 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CH2 . . . . . . . . . c30557_6nm2 1
. 5 . 800 . 1 1 3 TRP CZ2 C -4.563 -2.343 -2.372 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ2 . . . . . . . . . c30557_6nm2 1
. 5 . 801 . 1 1 3 TRP CZ3 C -2.481 -3.485 -2.856 . . . 1.0 . . . . . . . . . . . . A . 3 TRP CZ3 . . . . . . . . . c30557_6nm2 1
. 5 . 802 . 1 1 3 TRP H H -2.589 -0.480 2.222 . . . 1.0 . . . . . . . . . . . . A . 3 TRP H . . . . . . . . . c30557_6nm2 1
. 5 . 803 . 1 1 3 TRP HA H -0.064 -1.781 2.591 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HA . . . . . . . . . c30557_6nm2 1
. 5 . 804 . 1 1 3 TRP HB2 H -1.076 -3.597 1.217 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB2 . . . . . . . . . c30557_6nm2 1
. 5 . 805 . 1 1 3 TRP HB3 H -2.041 -3.157 2.617 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HB3 . . . . . . . . . c30557_6nm2 1
. 5 . 806 . 1 1 3 TRP HD1 H -4.070 -1.466 2.182 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HD1 . . . . . . . . . c30557_6nm2 1
. 5 . 807 . 1 1 3 TRP HE1 H -5.576 -1.236 0.107 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE1 . . . . . . . . . c30557_6nm2 1
. 5 . 808 . 1 1 3 TRP HE3 H -1.136 -3.758 -1.200 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HE3 . . . . . . . . . c30557_6nm2 1
. 5 . 809 . 1 1 3 TRP HH2 H -4.013 -3.073 -4.322 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HH2 . . . . . . . . . c30557_6nm2 1
. 5 . 810 . 1 1 3 TRP HZ2 H -5.516 -1.947 -2.690 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ2 . . . . . . . . . c30557_6nm2 1
. 5 . 811 . 1 1 3 TRP HZ3 H -1.822 -3.953 -3.551 . . . 1.0 . . . . . . . . . . . . A . 3 TRP HZ3 . . . . . . . . . c30557_6nm2 1
. 5 . 812 . 1 1 3 TRP N N -1.611 -0.453 2.313 . . . 1.0 . . . . . . . . . . . . A . 3 TRP N . . . . . . . . . c30557_6nm2 1
. 5 . 813 . 1 1 3 TRP NE1 N -4.711 -1.672 0.094 . . . 1.0 . . . . . . . . . . . . A . 3 TRP NE1 . . . . . . . . . c30557_6nm2 1
. 5 . 814 . 1 1 3 TRP O O 0.875 -1.789 0.171 . . . 1.0 . . . . . . . . . . . . A . 3 TRP O . . . . . . . . . c30557_6nm2 1
. 5 . 815 . 1 1 4 LEU C C 1.078 0.901 -1.257 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c30557_6nm2 1
. 5 . 816 . 1 1 4 LEU CA C -0.223 0.142 -1.471 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c30557_6nm2 1
. 5 . 817 . 1 1 4 LEU CB C -1.237 1.057 -2.190 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c30557_6nm2 1
. 5 . 818 . 1 1 4 LEU CD1 C -1.537 -0.914 -3.759 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c30557_6nm2 1
. 5 . 819 . 1 1 4 LEU CD2 C -2.864 1.152 -4.069 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c30557_6nm2 1
. 5 . 820 . 1 1 4 LEU CG C -1.504 0.609 -3.642 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c30557_6nm2 1
. 5 . 821 . 1 1 4 LEU H H -1.580 0.141 0.162 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c30557_6nm2 1
. 5 . 822 . 1 1 4 LEU HA H -0.028 -0.730 -2.072 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c30557_6nm2 1
. 5 . 823 . 1 1 4 LEU HB2 H -2.164 1.042 -1.648 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c30557_6nm2 1
. 5 . 824 . 1 1 4 LEU HB3 H -0.858 2.069 -2.200 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c30557_6nm2 1
. 5 . 825 . 1 1 4 LEU HD11 H -0.554 -1.283 -4.009 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c30557_6nm2 1
. 5 . 826 . 1 1 4 LEU HD12 H -2.236 -1.205 -4.531 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c30557_6nm2 1
. 5 . 827 . 1 1 4 LEU HD13 H -1.851 -1.327 -2.820 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c30557_6nm2 1
. 5 . 828 . 1 1 4 LEU HD21 H -2.822 2.226 -4.113 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c30557_6nm2 1
. 5 . 829 . 1 1 4 LEU HD22 H -3.611 0.848 -3.346 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c30557_6nm2 1
. 5 . 830 . 1 1 4 LEU HD23 H -3.120 0.755 -5.037 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c30557_6nm2 1
. 5 . 831 . 1 1 4 LEU HG H -0.739 1.007 -4.292 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c30557_6nm2 1
. 5 . 832 . 1 1 4 LEU N N -0.760 -0.281 -0.182 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c30557_6nm2 1
. 5 . 833 . 1 1 4 LEU O O 2.095 0.609 -1.875 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c30557_6nm2 1
. 5 . 834 . 1 1 5 ARG C C 3.282 1.820 0.618 . . . 1.0 . . . . . . . . . . . . A . 5 ARG C . . . . . . . . . c30557_6nm2 1
. 5 . 835 . 1 1 5 ARG CA C 2.237 2.662 -0.108 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CA . . . . . . . . . c30557_6nm2 1
. 5 . 836 . 1 1 5 ARG CB C 1.887 3.905 0.718 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CB . . . . . . . . . c30557_6nm2 1
. 5 . 837 . 1 1 5 ARG CD C 1.869 3.360 3.172 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CD . . . . . . . . . c30557_6nm2 1
. 5 . 838 . 1 1 5 ARG CG C 1.002 3.529 1.919 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CG . . . . . . . . . c30557_6nm2 1
. 5 . 839 . 1 1 5 ARG CZ C 2.673 4.779 4.972 . . . 1.0 . . . . . . . . . . . . A . 5 ARG CZ . . . . . . . . . c30557_6nm2 1
. 5 . 840 . 1 1 5 ARG H H 0.208 2.083 0.103 . . . 1.0 . . . . . . . . . . . . A . 5 ARG H . . . . . . . . . c30557_6nm2 1
. 5 . 841 . 1 1 5 ARG HA H 2.655 2.979 -1.061 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HA . . . . . . . . . c30557_6nm2 1
. 5 . 842 . 1 1 5 ARG HB2 H 2.795 4.357 1.072 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB2 . . . . . . . . . c30557_6nm2 1
. 5 . 843 . 1 1 5 ARG HB3 H 1.359 4.611 0.093 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HB3 . . . . . . . . . c30557_6nm2 1
. 5 . 844 . 1 1 5 ARG HD2 H 1.327 2.781 3.905 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD2 . . . . . . . . . c30557_6nm2 1
. 5 . 845 . 1 1 5 ARG HD3 H 2.780 2.843 2.912 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HD3 . . . . . . . . . c30557_6nm2 1
. 5 . 846 . 1 1 5 ARG HE H 2.059 5.470 3.197 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HE . . . . . . . . . c30557_6nm2 1
. 5 . 847 . 1 1 5 ARG HG2 H 0.279 4.315 2.091 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG2 . . . . . . . . . c30557_6nm2 1
. 5 . 848 . 1 1 5 ARG HG3 H 0.483 2.607 1.718 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HG3 . . . . . . . . . c30557_6nm2 1
. 5 . 849 . 1 1 5 ARG HH11 H 2.807 6.776 4.898 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH11 . . . . . . . . . c30557_6nm2 1
. 5 . 850 . 1 1 5 ARG HH12 H 3.311 6.046 6.385 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH12 . . . . . . . . . c30557_6nm2 1
. 5 . 851 . 1 1 5 ARG HH21 H 2.651 2.810 5.329 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH21 . . . . . . . . . c30557_6nm2 1
. 5 . 852 . 1 1 5 ARG HH22 H 3.224 3.801 6.629 . . . 1.0 . . . . . . . . . . . . A . 5 ARG HH22 . . . . . . . . . c30557_6nm2 1
. 5 . 853 . 1 1 5 ARG N N 1.044 1.881 -0.373 . . . 1.0 . . . . . . . . . . . . A . 5 ARG N . . . . . . . . . c30557_6nm2 1
. 5 . 854 . 1 1 5 ARG NE N 2.196 4.664 3.737 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NE . . . . . . . . . c30557_6nm2 1
. 5 . 855 . 1 1 5 ARG NH1 N 2.952 5.959 5.456 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH1 . . . . . . . . . c30557_6nm2 1
. 5 . 856 . 1 1 5 ARG NH2 N 2.863 3.714 5.700 . . . 1.0 . . . . . . . . . . . . A . 5 ARG NH2 . . . . . . . . . c30557_6nm2 1
. 5 . 857 . 1 1 5 ARG O O 4.482 2.042 0.453 . . . 1.0 . . . . . . . . . . . . A . 5 ARG O . . . . . . . . . c30557_6nm2 1
. 5 . 858 . 1 1 6 LYS C C 4.447 -0.950 1.125 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c30557_6nm2 1
. 5 . 859 . 1 1 6 LYS CA C 3.773 -0.013 2.120 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c30557_6nm2 1
. 5 . 860 . 1 1 6 LYS CB C 3.062 -0.797 3.241 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c30557_6nm2 1
. 5 . 861 . 1 1 6 LYS CD C 2.331 -3.044 4.058 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c30557_6nm2 1
. 5 . 862 . 1 1 6 LYS CE C 1.500 -4.244 3.598 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c30557_6nm2 1
. 5 . 863 . 1 1 6 LYS CG C 2.829 -2.261 2.840 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c30557_6nm2 1
. 5 . 864 . 1 1 6 LYS H H 1.869 0.697 1.501 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c30557_6nm2 1
. 5 . 865 . 1 1 6 LYS HA H 4.534 0.613 2.562 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c30557_6nm2 1
. 5 . 866 . 1 1 6 LYS HB2 H 3.669 -0.772 4.134 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c30557_6nm2 1
. 5 . 867 . 1 1 6 LYS HB3 H 2.111 -0.334 3.450 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c30557_6nm2 1
. 5 . 868 . 1 1 6 LYS HD2 H 3.179 -3.393 4.631 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c30557_6nm2 1
. 5 . 869 . 1 1 6 LYS HD3 H 1.722 -2.401 4.674 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c30557_6nm2 1
. 5 . 870 . 1 1 6 LYS HE2 H 1.407 -4.948 4.411 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c30557_6nm2 1
. 5 . 871 . 1 1 6 LYS HE3 H 0.519 -3.908 3.298 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c30557_6nm2 1
. 5 . 872 . 1 1 6 LYS HG2 H 2.092 -2.305 2.055 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c30557_6nm2 1
. 5 . 873 . 1 1 6 LYS HG3 H 3.752 -2.697 2.497 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c30557_6nm2 1
. 5 . 874 . 1 1 6 LYS HZ1 H 3.196 -4.710 2.482 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c30557_6nm2 1
. 5 . 875 . 1 1 6 LYS HZ2 H 1.783 -4.532 1.555 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c30557_6nm2 1
. 5 . 876 . 1 1 6 LYS HZ3 H 2.018 -5.930 2.492 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c30557_6nm2 1
. 5 . 877 . 1 1 6 LYS N N 2.833 0.846 1.408 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c30557_6nm2 1
. 5 . 878 . 1 1 6 LYS NZ N 2.175 -4.903 2.445 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c30557_6nm2 1
. 5 . 879 . 1 1 6 LYS O O 5.663 -1.143 1.165 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c30557_6nm2 1
. 5 . 880 . 1 1 7 ILE C C 5.028 -1.522 -1.758 . . . 1.0 . . . . . . . . . . . . A . 7 ILE C . . . . . . . . . c30557_6nm2 1
. 5 . 881 . 1 1 7 ILE CA C 4.202 -2.381 -0.808 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CA . . . . . . . . . c30557_6nm2 1
. 5 . 882 . 1 1 7 ILE CB C 3.059 -3.101 -1.563 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CB . . . . . . . . . c30557_6nm2 1
. 5 . 883 . 1 1 7 ILE CD1 C 4.813 -4.353 -2.864 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CD1 . . . . . . . . . c30557_6nm2 1
. 5 . 884 . 1 1 7 ILE CG1 C 3.519 -4.481 -2.054 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG1 . . . . . . . . . c30557_6nm2 1
. 5 . 885 . 1 1 7 ILE CG2 C 2.623 -2.278 -2.763 . . . 1.0 . . . . . . . . . . . . A . 7 ILE CG2 . . . . . . . . . c30557_6nm2 1
. 5 . 886 . 1 1 7 ILE H H 2.700 -1.293 0.207 . . . 1.0 . . . . . . . . . . . . A . 7 ILE H . . . . . . . . . c30557_6nm2 1
. 5 . 887 . 1 1 7 ILE HA H 4.844 -3.109 -0.337 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HA . . . . . . . . . c30557_6nm2 1
. 5 . 888 . 1 1 7 ILE HB H 2.211 -3.221 -0.903 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HB . . . . . . . . . c30557_6nm2 1
. 5 . 889 . 1 1 7 ILE HD11 H 4.962 -5.254 -3.441 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD11 . . . . . . . . . c30557_6nm2 1
. 5 . 890 . 1 1 7 ILE HD12 H 5.646 -4.214 -2.196 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD12 . . . . . . . . . c30557_6nm2 1
. 5 . 891 . 1 1 7 ILE HD13 H 4.738 -3.509 -3.533 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HD13 . . . . . . . . . c30557_6nm2 1
. 5 . 892 . 1 1 7 ILE HG12 H 3.686 -5.126 -1.207 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG12 . . . . . . . . . c30557_6nm2 1
. 5 . 893 . 1 1 7 ILE HG13 H 2.751 -4.905 -2.686 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG13 . . . . . . . . . c30557_6nm2 1
. 5 . 894 . 1 1 7 ILE HG21 H 2.594 -1.239 -2.493 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG21 . . . . . . . . . c30557_6nm2 1
. 5 . 895 . 1 1 7 ILE HG22 H 1.641 -2.595 -3.084 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG22 . . . . . . . . . c30557_6nm2 1
. 5 . 896 . 1 1 7 ILE HG23 H 3.327 -2.423 -3.562 . . . 1.0 . . . . . . . . . . . . A . 7 ILE HG23 . . . . . . . . . c30557_6nm2 1
. 5 . 897 . 1 1 7 ILE N N 3.656 -1.503 0.212 . . . 1.0 . . . . . . . . . . . . A . 7 ILE N . . . . . . . . . c30557_6nm2 1
. 5 . 898 . 1 1 7 ILE O O 5.964 -1.988 -2.405 . . . 1.0 . . . . . . . . . . . . A . 7 ILE O . . . . . . . . . c30557_6nm2 1
. 5 . 899 . 1 1 8 TRP C C 6.085 1.740 -1.780 . . . 1.0 . . . . . . . . . . . . A . 8 TRP C . . . . . . . . . c30557_6nm2 1
. 5 . 900 . 1 1 8 TRP CA C 5.356 0.726 -2.649 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CA . . . . . . . . . c30557_6nm2 1
. 5 . 901 . 1 1 8 TRP CB C 4.344 1.437 -3.555 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CB . . . . . . . . . c30557_6nm2 1
. 5 . 902 . 1 1 8 TRP CD1 C 2.233 0.355 -4.387 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CD1 . . . . . . . . . c30557_6nm2 1
. 5 . 903 . 1 1 8 TRP CD2 C 4.076 -0.704 -5.124 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CD2 . . . . . . . . . c30557_6nm2 1
. 5 . 904 . 1 1 8 TRP CE2 C 2.962 -1.417 -5.627 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CE2 . . . . . . . . . c30557_6nm2 1
. 5 . 905 . 1 1 8 TRP CE3 C 5.363 -1.172 -5.455 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CE3 . . . . . . . . . c30557_6nm2 1
. 5 . 906 . 1 1 8 TRP CG C 3.579 0.412 -4.322 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CG . . . . . . . . . c30557_6nm2 1
. 5 . 907 . 1 1 8 TRP CH2 C 4.398 -3.003 -6.736 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CH2 . . . . . . . . . c30557_6nm2 1
. 5 . 908 . 1 1 8 TRP CZ2 C 3.117 -2.553 -6.421 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CZ2 . . . . . . . . . c30557_6nm2 1
. 5 . 909 . 1 1 8 TRP CZ3 C 5.520 -2.314 -6.258 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CZ3 . . . . . . . . . c30557_6nm2 1
. 5 . 910 . 1 1 8 TRP H H 3.917 0.063 -1.252 . . . 1.0 . . . . . . . . . . . . A . 8 TRP H . . . . . . . . . c30557_6nm2 1
. 5 . 911 . 1 1 8 TRP HA H 6.074 0.210 -3.258 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HA . . . . . . . . . c30557_6nm2 1
. 5 . 912 . 1 1 8 TRP HB2 H 3.663 2.012 -2.946 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HB2 . . . . . . . . . c30557_6nm2 1
. 5 . 913 . 1 1 8 TRP HB3 H 4.854 2.092 -4.234 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HB3 . . . . . . . . . c30557_6nm2 1
. 5 . 914 . 1 1 8 TRP HD1 H 1.552 1.037 -3.908 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HD1 . . . . . . . . . c30557_6nm2 1
. 5 . 915 . 1 1 8 TRP HE1 H 0.950 -1.004 -5.319 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HE1 . . . . . . . . . c30557_6nm2 1
. 5 . 916 . 1 1 8 TRP HE3 H 6.236 -0.651 -5.098 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HE3 . . . . . . . . . c30557_6nm2 1
. 5 . 917 . 1 1 8 TRP HH2 H 4.524 -3.883 -7.347 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HH2 . . . . . . . . . c30557_6nm2 1
. 5 . 918 . 1 1 8 TRP HZ2 H 2.251 -3.083 -6.783 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HZ2 . . . . . . . . . c30557_6nm2 1
. 5 . 919 . 1 1 8 TRP HZ3 H 6.511 -2.666 -6.504 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HZ3 . . . . . . . . . c30557_6nm2 1
. 5 . 920 . 1 1 8 TRP N N 4.665 -0.241 -1.808 . . . 1.0 . . . . . . . . . . . . A . 8 TRP N . . . . . . . . . c30557_6nm2 1
. 5 . 921 . 1 1 8 TRP NE1 N 1.868 -0.735 -5.140 . . . 1.0 . . . . . . . . . . . . A . 8 TRP NE1 . . . . . . . . . c30557_6nm2 1
. 5 . 922 . 1 1 8 TRP O O 6.263 2.892 -2.175 . . . 1.0 . . . . . . . . . . . . A . 8 TRP O . . . . . . . . . c30557_6nm2 1
. 5 . 923 . 1 1 9 NH2 HN1 H 6.376 0.449 -0.298 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN1 . . . . . . . . . c30557_6nm2 1
. 5 . 924 . 1 1 9 NH2 HN2 H 6.995 2.011 -0.036 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 HN2 . . . . . . . . . c30557_6nm2 1
. 5 . 925 . 1 1 9 NH2 N N 6.522 1.371 -0.607 . . . 1.0 . . . . . . . . . . . . A . 9 NH2 N . . . . . . . . . c30557_6nm2 1
stop_
save_
save_constraint_statistics
_Constraint_stat_list.Sf_framecode constraint_statistics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID c30557_6nm2
_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 6nm2.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c30557_6nm2 1
1 6nm2.mr . . XPLOR/CNS 2 distance NOE ambi 228 c30557_6nm2 1
1 6nm2.mr . . XPLOR/CNS 3 'dihedral angle' 'Not applicable' 'Not applicable' 10 c30557_6nm2 1
1 6nm2.mr . . 'MR format' 4 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c30557_6nm2 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID c30557_6nm2
_Gen_dist_constraint_list.ID 1
_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 2
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
. . . . c30557_6nm2 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 1 1 TRP HZ3 H . . . 1 1 1 1 TRP HA H . . . . . 4.0 1.8 6.0 . . . . . A . 1 TRP HZ3 . . A . 1 TRP HA . . . 1 . HZ3 . . . . . 1 . HA . . c30557_6nm2 1
2 1 OR . 1 1 1 1 TRP HE1 H . . . 1 1 1 1 TRP HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 1 TRP HE1 . . A . 1 TRP HB2 . . . 1 . HE1 . . . . . 1 . HB# . . c30557_6nm2 1
2 2 OR . 1 1 1 1 TRP HE1 H . . . 1 1 1 1 TRP HB3 H . . . . . 4.0 1.8 6.0 . . . . . A . 1 TRP HE1 . . A . 1 TRP HB3 . . . 1 . HE1 . . . . . 1 . HB# . . c30557_6nm2 1
3 1 OR . 1 1 1 1 TRP HZ3 H . . . 1 1 1 1 TRP HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 1 TRP HZ3 . . A . 1 TRP HB2 . . . 1 . HZ3 . . . . . 1 . HB# . . c30557_6nm2 1
3 2 OR . 1 1 1 1 TRP HZ3 H . . . 1 1 1 1 TRP HB3 H . . . . . 4.0 1.8 6.0 . . . . . A . 1 TRP HZ3 . . A . 1 TRP HB3 . . . 1 . HZ3 . . . . . 1 . HB# . . c30557_6nm2 1
4 1 . . 1 1 1 1 TRP HA H . . . 1 1 1 1 TRP HE1 H . . . . . 4.0 1.8 6.0 . . . . . A . 1 TRP HA . . A . 1 TRP HE1 . . . 1 . HA . . . . . 1 . HE1 . . c30557_6nm2 1
5 1 OR . 1 1 1 1 TRP HE1 H . . . 1 1 1 1 TRP HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 1 TRP HE1 . . A . 1 TRP HB2 . . . 1 . HE1 . . . . . 1 . HB# . . c30557_6nm2 1
5 2 OR . 1 1 1 1 TRP HE1 H . . . 1 1 1 1 TRP HB3 H . . . . . 4.0 1.8 6.0 . . . . . A . 1 TRP HE1 . . A . 1 TRP HB3 . . . 1 . HE1 . . . . . 1 . HB# . . c30557_6nm2 1
6 1 . . 1 1 1 1 TRP HA H . . . 1 1 1 1 TRP HD1 H . . . . . 3.0 1.8 3.8 . . . . . A . 1 TRP HA . . A . 1 TRP HD1 . . . 1 . HA . . . . . 1 . HD1 . . c30557_6nm2 1
7 1 . . 1 1 1 1 TRP HB3 H . . . 1 1 1 1 TRP HD1 H . . . . . 4.0 1.8 5.0 . . . . . A . 1 TRP HB3 . . A . 1 TRP HD1 . . . 1 . HB1 . . . . . 1 . HD1 . . c30557_6nm2 1
8 1 . . 1 1 1 1 TRP HD1 H . . . 1 1 1 1 TRP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 1 TRP HD1 . . A . 1 TRP HB2 . . . 1 . HD1 . . . . . 1 . HB2 . . c30557_6nm2 1
9 1 . . 1 1 1 1 TRP HA H . . . 1 1 2 2 TRP HD1 H . . . . . 4.0 1.8 6.0 . . . . . A . 1 TRP HA . . A . 2 TRP HD1 . . . 1 . HA . . . . . 2 . HD1 . . c30557_6nm2 1
10 1 . . 1 1 1 1 TRP HE3 H . . . 1 1 2 2 TRP HA H . . . . . 4.0 1.8 6.0 . . . . . A . 1 TRP HE3 . . A . 2 TRP HA . . . 1 . HE3 . . . . . 2 . HA . . c30557_6nm2 1
11 1 . . 1 1 3 3 TRP HD1 H . . . 1 1 1 1 TRP HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 3 TRP HD1 . . A . 1 TRP HB2 . . . 3 . HD1 . . . . . 1 . HB2 . . c30557_6nm2 1
12 1 . . 1 1 1 1 TRP HB3 H . . . 1 1 3 3 TRP HZ2 H . . . . . 4.0 1.8 5.0 . . . . . A . 1 TRP HB3 . . A . 3 TRP HZ2 . . . 1 . HB1 . . . . . 3 . HZ2 . . c30557_6nm2 1
13 1 . . 1 1 3 3 TRP HE1 H . . . 1 1 1 1 TRP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 3 TRP HE1 . . A . 1 TRP HB2 . . . 3 . HE1 . . . . . 1 . HB2 . . c30557_6nm2 1
14 1 . . 1 1 1 1 TRP HA H . . . 1 1 3 3 TRP HD1 H . . . . . 4.0 1.8 5.0 . . . . . A . 1 TRP HA . . A . 3 TRP HD1 . . . 1 . HA . . . . . 3 . HD1 . . c30557_6nm2 1
15 1 . . 1 1 1 1 TRP HD1 H . . . 1 1 3 3 TRP HD1 H . . . . . 4.0 1.8 5.0 . . . . . A . 1 TRP HD1 . . A . 3 TRP HD1 . . . 1 . HD1 . . . . . 3 . HD1 . . c30557_6nm2 1
16 1 . . 1 1 1 1 TRP HB3 H . . . 1 1 3 3 TRP H H . . . . . 4.0 1.8 5.0 . . . . . A . 1 TRP HB3 . . A . 3 TRP H . . . 1 . HB1 . . . . . 3 . HN . . c30557_6nm2 1
17 1 . . 1 1 1 1 TRP HE3 H . . . 1 1 3 3 TRP HE1 H . . . . . 4.0 1.8 6.0 . . . . . A . 1 TRP HE3 . . A . 3 TRP HE1 . . . 1 . HE3 . . . . . 3 . HE1 . . c30557_6nm2 1
18 1 . . 1 1 1 1 TRP HD1 H . . . 1 1 3 3 TRP HE1 H . . . . . 4.0 1.8 6.0 . . . . . A . 1 TRP HD1 . . A . 3 TRP HE1 . . . 1 . HD1 . . . . . 3 . HE1 . . c30557_6nm2 1
19 1 . . 1 1 1 1 TRP HA H . . . 1 1 3 3 TRP HE1 H . . . . . 4.0 1.8 6.0 . . . . . A . 1 TRP HA . . A . 3 TRP HE1 . . . 1 . HA . . . . . 3 . HE1 . . c30557_6nm2 1
20 1 . . 1 1 1 1 TRP HD1 H . . . 1 1 3 3 TRP H H . . . . . 4.0 1.8 5.0 . . . . . A . 1 TRP HD1 . . A . 3 TRP H . . . 1 . HD1 . . . . . 3 . HN . . c30557_6nm2 1
21 1 . . 1 1 1 1 TRP HB3 H . . . 1 1 3 3 TRP HD1 H . . . . . 4.0 1.8 6.0 . . . . . A . 1 TRP HB3 . . A . 3 TRP HD1 . . . 1 . HB1 . . . . . 3 . HD1 . . c30557_6nm2 1
22 1 . . 1 1 1 1 TRP HB3 H . . . 1 1 3 3 TRP HE1 H . . . . . 4.0 1.8 6.0 . . . . . A . 1 TRP HB3 . . A . 3 TRP HE1 . . . 1 . HB1 . . . . . 3 . HE1 . . c30557_6nm2 1
23 1 . . 1 1 1 1 TRP HD1 H . . . 1 1 4 4 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 1 TRP HD1 . . A . 4 LEU MD1 . . . 1 . HD1 . . . . . 4 . HD1# . . c30557_6nm2 1
24 1 . . 1 1 1 1 TRP HB2 H . . . 1 1 4 4 LEU HB3 H . . . . . 4.0 1.8 6.0 . . . . . A . 1 TRP HB2 . . A . 4 LEU HB3 . . . 1 . HB2 . . . . . 4 . HB1 . . c30557_6nm2 1
25 1 . . 1 1 1 1 TRP HB3 H . . . 1 1 4 4 LEU HB3 H . . . . . 4.0 1.8 6.0 . . . . . A . 1 TRP HB3 . . A . 4 LEU HB3 . . . 1 . HB1 . . . . . 4 . HB1 . . c30557_6nm2 1
26 1 . . 1 1 1 1 TRP HD1 H . . . 1 1 4 4 LEU HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 1 TRP HD1 . . A . 4 LEU HB2 . . . 1 . HD1 . . . . . 4 . HB2 . . c30557_6nm2 1
27 1 . . 1 1 1 1 TRP HB3 H . . . 1 1 4 4 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 1 TRP HB3 . . A . 4 LEU MD1 . . . 1 . HB1 . . . . . 4 . HD1# . . c30557_6nm2 1
28 1 . . 1 1 1 1 TRP HZ3 H . . . 1 1 4 4 LEU HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 1 TRP HZ3 . . A . 4 LEU HB3 . . . 1 . HZ3 . . . . . 4 . HB1 . . c30557_6nm2 1
29 1 . . 1 1 4 4 LEU H H . . . 1 1 1 1 TRP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 4 LEU H . . A . 1 TRP HB2 . . . 4 . HN . . . . . 1 . HB2 . . c30557_6nm2 1
30 1 . . 1 1 1 1 TRP HD1 H . . . 1 1 4 4 LEU H H . . . . . 4.0 1.8 5.0 . . . . . A . 1 TRP HD1 . . A . 4 LEU H . . . 1 . HD1 . . . . . 4 . HN . . c30557_6nm2 1
31 1 . . 1 1 1 1 TRP HB3 H . . . 1 1 4 4 LEU H H . . . . . 4.0 1.8 5.0 . . . . . A . 1 TRP HB3 . . A . 4 LEU H . . . 1 . HB1 . . . . . 4 . HN . . c30557_6nm2 1
32 1 . . 1 1 4 4 LEU MD1 H . . . 1 1 1 1 TRP HB2 H . . . . . 4.0 1.8 5.5 . . . . . A . 4 LEU MD1 . . A . 1 TRP HB2 . . . 4 . HD1# . . . . . 1 . HB2 . . c30557_6nm2 1
33 1 . . 1 1 4 4 LEU HB2 H . . . 1 1 1 1 TRP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 4 LEU HB2 . . A . 1 TRP HB2 . . . 4 . HB2 . . . . . 1 . HB2 . . c30557_6nm2 1
34 1 . . 1 1 1 1 TRP HD1 H . . . 1 1 4 4 LEU MD2 H . . . . . 4.0 1.8 5.5 . . . . . A . 1 TRP HD1 . . A . 4 LEU MD2 . . . 1 . HD1 . . . . . 4 . HD2# . . c30557_6nm2 1
35 1 . . 1 1 1 1 TRP HB3 H . . . 1 1 4 4 LEU MD2 H . . . . . 3.0 1.8 4.8 . . . . . A . 1 TRP HB3 . . A . 4 LEU MD2 . . . 1 . HB1 . . . . . 4 . HD2# . . c30557_6nm2 1
36 1 . . 1 1 1 1 TRP HB3 H . . . 1 1 4 4 LEU HB2 H . . . . . 3.0 1.8 4.3 . . . . . A . 1 TRP HB3 . . A . 4 LEU HB2 . . . 1 . HB1 . . . . . 4 . HB2 . . c30557_6nm2 1
37 1 . . 1 1 1 1 TRP HZ3 H . . . 1 1 4 4 LEU HB2 H . . . . . 3.0 1.8 5.0 . . . . . A . 1 TRP HZ3 . . A . 4 LEU HB2 . . . 1 . HZ3 . . . . . 4 . HB2 . . c30557_6nm2 1
38 1 . . 1 1 1 1 TRP HB2 H . . . 1 1 4 4 LEU MD2 H . . . . . 3.0 1.8 4.8 . . . . . A . 1 TRP HB2 . . A . 4 LEU MD2 . . . 1 . HB2 . . . . . 4 . HD2# . . c30557_6nm2 1
39 1 . . 1 1 1 1 TRP HE3 H . . . 1 1 4 4 LEU HB3 H . . . . . 3.0 1.8 3.8 . . . . . A . 1 TRP HE3 . . A . 4 LEU HB3 . . . 1 . HE3 . . . . . 4 . HB1 . . c30557_6nm2 1
40 1 . . 1 1 1 1 TRP HZ3 H . . . 1 1 4 4 LEU MD2 H . . . . . 3.0 1.8 3.8 . . . . . A . 1 TRP HZ3 . . A . 4 LEU MD2 . . . 1 . HZ3 . . . . . 4 . HD2# . . c30557_6nm2 1
41 1 OR . 1 1 3 3 TRP HE3 H . . . 1 1 4 4 LEU MD2 H . . . . . 3.0 1.8 5.8 . . . . . A . 3 TRP HE3 . . A . 4 LEU MD2 . . . 3 . HE3 . . . . . 4 . HD* . . c30557_6nm2 1
41 2 OR . 1 1 3 3 TRP HE3 H . . . 1 1 4 4 LEU MD1 H . . . . . 3.0 1.8 5.8 . . . . . A . 3 TRP HE3 . . A . 4 LEU MD1 . . . 3 . HE3 . . . . . 4 . HD* . . c30557_6nm2 1
42 1 OR . 1 1 3 3 TRP HE3 H . . . 1 1 4 4 LEU HB3 H . . . . . 4.0 1.8 6.0 . . . . . A . 3 TRP HE3 . . A . 4 LEU HB3 . . . 3 . HE3 . . . . . 4 . HB# . . c30557_6nm2 1
42 2 OR . 1 1 3 3 TRP HE3 H . . . 1 1 4 4 LEU HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 3 TRP HE3 . . A . 4 LEU HB2 . . . 3 . HE3 . . . . . 4 . HB# . . c30557_6nm2 1
43 1 . . 1 1 2 2 TRP HE1 H . . . 1 1 2 2 TRP HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 2 TRP HE1 . . A . 2 TRP HB2 . . . 2 . HE1 . . . . . 2 . HB2 . . c30557_6nm2 1
44 1 OR . 1 1 2 2 TRP HZ3 H . . . 1 1 2 2 TRP HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 2 TRP HZ3 . . A . 2 TRP HB2 . . . 2 . HZ3 . . . . . 2 . HB# . . c30557_6nm2 1
44 2 OR . 1 1 2 2 TRP HZ3 H . . . 1 1 2 2 TRP HB3 H . . . . . 4.0 1.8 6.0 . . . . . A . 2 TRP HZ3 . . A . 2 TRP HB3 . . . 2 . HZ3 . . . . . 2 . HB# . . c30557_6nm2 1
45 1 . . 1 1 2 2 TRP HA H . . . 1 1 2 2 TRP HE3 H . . . . . 3.0 1.8 3.8 . . . . . A . 2 TRP HA . . A . 2 TRP HE3 . . . 2 . HA . . . . . 2 . HE3 . . c30557_6nm2 1
46 1 . . 1 1 2 2 TRP HD1 H . . . 1 1 2 2 TRP HA H . . . . . 3.0 1.8 4.2 . . . . . A . 2 TRP HD1 . . A . 2 TRP HA . . . 2 . HD1 . . . . . 2 . HA . . c30557_6nm2 1
47 1 . . 1 1 2 2 TRP HB3 H . . . 1 1 2 2 TRP HE3 H . . . . . 3.0 1.8 3.8 . . . . . A . 2 TRP HB3 . . A . 2 TRP HE3 . . . 2 . HB1 . . . . . 2 . HE3 . . c30557_6nm2 1
48 1 . . 1 1 2 2 TRP HD1 H . . . 1 1 2 2 TRP HB2 H . . . . . 3.0 1.8 3.8 . . . . . A . 2 TRP HD1 . . A . 2 TRP HB2 . . . 2 . HD1 . . . . . 2 . HB2 . . c30557_6nm2 1
49 1 . . 1 1 2 2 TRP HD1 H . . . 1 1 3 3 TRP HE1 H . . . . . 4.0 1.8 6.0 . . . . . A . 2 TRP HD1 . . A . 3 TRP HE1 . . . 2 . HD1 . . . . . 3 . HE1 . . c30557_6nm2 1
50 1 . . 1 1 2 2 TRP HH2 H . . . 1 1 3 3 TRP HB3 H . . . . . 4.0 1.8 6.0 . . . . . A . 2 TRP HH2 . . A . 3 TRP HB3 . . . 2 . HH2 . . . . . 3 . HB1 . . c30557_6nm2 1
51 1 . . 1 1 3 3 TRP HD1 H . . . 1 1 2 2 TRP HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 3 TRP HD1 . . A . 2 TRP HB2 . . . 3 . HD1 . . . . . 2 . HB2 . . c30557_6nm2 1
52 1 . . 1 1 2 2 TRP HZ2 H . . . 1 1 3 3 TRP HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 2 TRP HZ2 . . A . 3 TRP HB3 . . . 2 . HZ2 . . . . . 3 . HB1 . . c30557_6nm2 1
53 1 . . 1 1 3 3 TRP HE1 H . . . 1 1 2 2 TRP HE1 H . . . . . 4.0 1.8 6.0 . . . . . A . 3 TRP HE1 . . A . 2 TRP HE1 . . . 3 . HE1 . . . . . 2 . HE1 . . c30557_6nm2 1
54 1 . . 1 1 2 2 TRP HH2 H . . . 1 1 3 3 TRP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 2 TRP HH2 . . A . 3 TRP HB2 . . . 2 . HH2 . . . . . 3 . HB2 . . c30557_6nm2 1
55 1 . . 1 1 2 2 TRP HA H . . . 1 1 3 3 TRP HD1 H . . . . . 4.0 1.8 5.0 . . . . . A . 2 TRP HA . . A . 3 TRP HD1 . . . 2 . HA . . . . . 3 . HD1 . . c30557_6nm2 1
56 1 . . 1 1 3 3 TRP HD1 H . . . 1 1 2 2 TRP HE1 H . . . . . 3.0 1.8 4.0 . . . . . A . 3 TRP HD1 . . A . 2 TRP HE1 . . . 3 . HD1 . . . . . 2 . HE1 . . c30557_6nm2 1
57 1 . . 1 1 2 2 TRP HH2 H . . . 1 1 3 3 TRP HA H . . . . . 4.0 1.8 5.0 . . . . . A . 2 TRP HH2 . . A . 3 TRP HA . . . 2 . HH2 . . . . . 3 . HA . . c30557_6nm2 1
58 1 . . 1 1 3 3 TRP HD1 H . . . 1 1 2 2 TRP HH2 H . . . . . 4.0 1.8 5.0 . . . . . A . 3 TRP HD1 . . A . 2 TRP HH2 . . . 3 . HD1 . . . . . 2 . HH2 . . c30557_6nm2 1
59 1 OR . 1 1 2 2 TRP HE3 H . . . 1 1 3 3 TRP HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 2 TRP HE3 . . A . 3 TRP HB2 . . . 2 . HE3 . . . . . 3 . HB# . . c30557_6nm2 1
59 2 OR . 1 1 2 2 TRP HE3 H . . . 1 1 3 3 TRP HB3 H . . . . . 4.0 1.8 6.0 . . . . . A . 2 TRP HE3 . . A . 3 TRP HB3 . . . 2 . HE3 . . . . . 3 . HB# . . c30557_6nm2 1
60 1 OR . 1 1 2 2 TRP HE3 H . . . 1 1 3 3 TRP HB2 H . . . . . 3.0 1.8 4.8 . . . . . A . 2 TRP HE3 . . A . 3 TRP HB2 . . . 2 . HE3 . . . . . 3 . HB# . . c30557_6nm2 1
60 2 OR . 1 1 2 2 TRP HE3 H . . . 1 1 3 3 TRP HB3 H . . . . . 3.0 1.8 4.8 . . . . . A . 2 TRP HE3 . . A . 3 TRP HB3 . . . 2 . HE3 . . . . . 3 . HB# . . c30557_6nm2 1
61 1 OR . 1 1 3 3 TRP H H . . . 1 1 2 2 TRP HB2 H . . . . . 3.0 1.8 4.8 . . . . . A . 3 TRP H . . A . 2 TRP HB2 . . . 3 . HN . . . . . 2 . HB# . . c30557_6nm2 1
61 2 OR . 1 1 3 3 TRP H H . . . 1 1 2 2 TRP HB3 H . . . . . 3.0 1.8 4.8 . . . . . A . 3 TRP H . . A . 2 TRP HB3 . . . 3 . HN . . . . . 2 . HB# . . c30557_6nm2 1
62 1 . . 1 1 3 3 TRP HD1 H . . . 1 1 2 2 TRP HZ2 H . . . . . 3.0 1.8 3.8 . . . . . A . 3 TRP HD1 . . A . 2 TRP HZ2 . . . 3 . HD1 . . . . . 2 . HZ2 . . c30557_6nm2 1
63 1 . . 1 1 3 3 TRP H H . . . 1 1 2 2 TRP HE1 H . . . . . 3.0 1.8 3.8 . . . . . A . 3 TRP H . . A . 2 TRP HE1 . . . 3 . HN . . . . . 2 . HE1 . . c30557_6nm2 1
64 1 . . 1 1 2 2 TRP HD1 H . . . 1 1 3 3 TRP H H . . . . . 3.0 1.8 3.8 . . . . . A . 2 TRP HD1 . . A . 3 TRP H . . . 2 . HD1 . . . . . 3 . HN . . c30557_6nm2 1
65 1 OR . 1 1 2 2 TRP HZ3 H . . . 1 1 3 3 TRP HB2 H . . . . . 3.0 1.8 4.8 . . . . . A . 2 TRP HZ3 . . A . 3 TRP HB2 . . . 2 . HZ3 . . . . . 3 . HB# . . c30557_6nm2 1
65 2 OR . 1 1 2 2 TRP HZ3 H . . . 1 1 3 3 TRP HB3 H . . . . . 3.0 1.8 4.8 . . . . . A . 2 TRP HZ3 . . A . 3 TRP HB3 . . . 2 . HZ3 . . . . . 3 . HB# . . c30557_6nm2 1
66 1 . . 1 1 2 2 TRP HA H . . . 1 1 3 3 TRP H H . . . . . 3.0 1.8 3.5 . . . . . A . 2 TRP HA . . A . 3 TRP H . . . 2 . HA . . . . . 3 . HN . . c30557_6nm2 1
67 1 . . 1 1 2 2 TRP HD1 H . . . 1 1 3 3 TRP HD1 H . . . . . 3.0 1.8 3.3 . . . . . A . 2 TRP HD1 . . A . 3 TRP HD1 . . . 2 . HD1 . . . . . 3 . HD1 . . c30557_6nm2 1
68 1 . . 1 1 3 3 TRP HD1 H . . . 1 1 2 2 TRP HE1 H . . . . . 3.0 1.8 3.3 . . . . . A . 3 TRP HD1 . . A . 2 TRP HE1 . . . 3 . HD1 . . . . . 2 . HE1 . . c30557_6nm2 1
69 1 . . 1 1 2 2 TRP HZ3 H . . . 1 1 3 3 TRP HA H . . . . . 3.0 1.8 3.8 . . . . . A . 2 TRP HZ3 . . A . 3 TRP HA . . . 2 . HZ3 . . . . . 3 . HA . . c30557_6nm2 1
70 1 OR . 1 1 2 2 TRP HZ2 H . . . 1 1 3 3 TRP HB2 H . . . . . 3.0 1.8 4.8 . . . . . A . 2 TRP HZ2 . . A . 3 TRP HB2 . . . 2 . HZ2 . . . . . 3 . HB# . . c30557_6nm2 1
70 2 OR . 1 1 2 2 TRP HZ2 H . . . 1 1 3 3 TRP HB3 H . . . . . 3.0 1.8 4.8 . . . . . A . 2 TRP HZ2 . . A . 3 TRP HB3 . . . 2 . HZ2 . . . . . 3 . HB# . . c30557_6nm2 1
71 1 . . 1 1 2 2 TRP HD1 H . . . 1 1 4 4 LEU H H . . . . . 4.0 1.8 6.0 . . . . . A . 2 TRP HD1 . . A . 4 LEU H . . . 2 . HD1 . . . . . 4 . HN . . c30557_6nm2 1
72 1 . . 1 1 4 4 LEU H H . . . 1 1 2 2 TRP HE1 H . . . . . 4.0 1.8 6.0 . . . . . A . 4 LEU H . . A . 2 TRP HE1 . . . 4 . HN . . . . . 2 . HE1 . . c30557_6nm2 1
73 1 . . 1 1 2 2 TRP HA H . . . 1 1 4 4 LEU H H . . . . . 4.0 1.8 5.0 . . . . . A . 2 TRP HA . . A . 4 LEU H . . . 2 . HA . . . . . 4 . HN . . c30557_6nm2 1
74 1 OR . 1 1 2 2 TRP HE3 H . . . 1 1 5 5 ARG HG2 H . . . . . 4.0 1.8 6.5 . . . . . A . 2 TRP HE3 . . A . 5 ARG HG2 . . . 2 . HE3 . . . . . 5 . HG# . . c30557_6nm2 1
74 2 OR . 1 1 2 2 TRP HE3 H . . . 1 1 5 5 ARG HG3 H . . . . . 4.0 1.8 6.5 . . . . . A . 2 TRP HE3 . . A . 5 ARG HG3 . . . 2 . HE3 . . . . . 5 . HG# . . c30557_6nm2 1
75 1 . . 1 1 2 2 TRP HA H . . . 1 1 5 5 ARG HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 2 TRP HA . . A . 5 ARG HB2 . . . 2 . HA . . . . . 5 . HB2 . . c30557_6nm2 1
76 1 OR . 1 1 2 2 TRP HA H . . . 1 1 5 5 ARG HG2 H . . . . . 4.0 1.8 5.5 . . . . . A . 2 TRP HA . . A . 5 ARG HG2 . . . 2 . HA . . . . . 5 . HG# . . c30557_6nm2 1
76 2 OR . 1 1 2 2 TRP HA H . . . 1 1 5 5 ARG HG3 H . . . . . 4.0 1.8 5.5 . . . . . A . 2 TRP HA . . A . 5 ARG HG3 . . . 2 . HA . . . . . 5 . HG# . . c30557_6nm2 1
77 1 OR . 1 1 2 2 TRP HE3 H . . . 1 1 5 5 ARG HD2 H . . . . . 4.0 1.8 5.5 . . . . . A . 2 TRP HE3 . . A . 5 ARG HD2 . . . 2 . HE3 . . . . . 5 . HD# . . c30557_6nm2 1
77 2 OR . 1 1 2 2 TRP HE3 H . . . 1 1 5 5 ARG HD3 H . . . . . 4.0 1.8 5.5 . . . . . A . 2 TRP HE3 . . A . 5 ARG HD3 . . . 2 . HE3 . . . . . 5 . HD# . . c30557_6nm2 1
78 1 . . 1 1 2 2 TRP HA H . . . 1 1 5 5 ARG H H . . . . . 3.0 1.8 3.5 . . . . . A . 2 TRP HA . . A . 5 ARG H . . . 2 . HA . . . . . 5 . HN . . c30557_6nm2 1
79 1 OR . 1 1 2 2 TRP HH2 H . . . 1 1 6 6 LYS HE2 H . . . . . 4.0 1.8 5.5 . . . . . A . 2 TRP HH2 . . A . 6 LYS HE2 . . . 2 . HH2 . . . . . 6 . HE# . . c30557_6nm2 1
79 2 OR . 1 1 2 2 TRP HH2 H . . . 1 1 6 6 LYS HE3 H . . . . . 4.0 1.8 5.5 . . . . . A . 2 TRP HH2 . . A . 6 LYS HE3 . . . 2 . HH2 . . . . . 6 . HE# . . c30557_6nm2 1
80 1 OR . 1 1 2 2 TRP HE3 H . . . 1 1 6 6 LYS HD2 H . . . . . 3.0 1.8 4.8 . . . . . A . 2 TRP HE3 . . A . 6 LYS HD2 . . . 2 . HE3 . . . . . 6 . HD# . . c30557_6nm2 1
80 2 OR . 1 1 2 2 TRP HE3 H . . . 1 1 6 6 LYS HD3 H . . . . . 3.0 1.8 4.8 . . . . . A . 2 TRP HE3 . . A . 6 LYS HD3 . . . 2 . HE3 . . . . . 6 . HD# . . c30557_6nm2 1
81 1 OR . 1 1 2 2 TRP HE3 H . . . 1 1 6 6 LYS HB2 H . . . . . 3.0 1.8 4.8 . . . . . A . 2 TRP HE3 . . A . 6 LYS HB2 . . . 2 . HE3 . . . . . 6 . HB# . . c30557_6nm2 1
81 2 OR . 1 1 2 2 TRP HE3 H . . . 1 1 6 6 LYS HB3 H . . . . . 3.0 1.8 4.8 . . . . . A . 2 TRP HE3 . . A . 6 LYS HB3 . . . 2 . HE3 . . . . . 6 . HB# . . c30557_6nm2 1
82 1 OR . 1 1 2 2 TRP HE3 H . . . 1 1 6 6 LYS HE2 H . . . . . 3.0 1.8 4.8 . . . . . A . 2 TRP HE3 . . A . 6 LYS HE2 . . . 2 . HE3 . . . . . 6 . HE# . . c30557_6nm2 1
82 2 OR . 1 1 2 2 TRP HE3 H . . . 1 1 6 6 LYS HE3 H . . . . . 3.0 1.8 4.8 . . . . . A . 2 TRP HE3 . . A . 6 LYS HE3 . . . 2 . HE3 . . . . . 6 . HE# . . c30557_6nm2 1
83 1 OR . 1 1 2 2 TRP HZ3 H . . . 1 1 6 6 LYS HE2 H . . . . . 3.0 1.8 4.8 . . . . . A . 2 TRP HZ3 . . A . 6 LYS HE2 . . . 2 . HZ3 . . . . . 6 . HE# . . c30557_6nm2 1
83 2 OR . 1 1 2 2 TRP HZ3 H . . . 1 1 6 6 LYS HE3 H . . . . . 3.0 1.8 4.8 . . . . . A . 2 TRP HZ3 . . A . 6 LYS HE3 . . . 2 . HZ3 . . . . . 6 . HE# . . c30557_6nm2 1
84 1 OR . 1 1 2 2 TRP HZ3 H . . . 1 1 6 6 LYS HD2 H . . . . . 3.0 1.8 4.8 . . . . . A . 2 TRP HZ3 . . A . 6 LYS HD2 . . . 2 . HZ3 . . . . . 6 . HD# . . c30557_6nm2 1
84 2 OR . 1 1 2 2 TRP HZ3 H . . . 1 1 6 6 LYS HD3 H . . . . . 3.0 1.8 4.8 . . . . . A . 2 TRP HZ3 . . A . 6 LYS HD3 . . . 2 . HZ3 . . . . . 6 . HD# . . c30557_6nm2 1
85 1 OR . 1 1 2 2 TRP HE3 H . . . 1 1 6 6 LYS HG2 H . . . . . 3.0 1.8 4.8 . . . . . A . 2 TRP HE3 . . A . 6 LYS HG2 . . . 2 . HE3 . . . . . 6 . HG# . . c30557_6nm2 1
85 2 OR . 1 1 2 2 TRP HE3 H . . . 1 1 6 6 LYS HG3 H . . . . . 3.0 1.8 4.8 . . . . . A . 2 TRP HE3 . . A . 6 LYS HG3 . . . 2 . HE3 . . . . . 6 . HG# . . c30557_6nm2 1
86 1 OR . 1 1 2 2 TRP HZ3 H . . . 1 1 6 6 LYS HG2 H . . . . . 3.0 1.8 4.8 . . . . . A . 2 TRP HZ3 . . A . 6 LYS HG2 . . . 2 . HZ3 . . . . . 6 . HG# . . c30557_6nm2 1
86 2 OR . 1 1 2 2 TRP HZ3 H . . . 1 1 6 6 LYS HG3 H . . . . . 3.0 1.8 4.8 . . . . . A . 2 TRP HZ3 . . A . 6 LYS HG3 . . . 2 . HZ3 . . . . . 6 . HG# . . c30557_6nm2 1
87 1 . . 1 1 3 3 TRP HE1 H . . . 1 1 3 3 TRP HA H . . . . . 4.0 1.8 6.0 . . . . . A . 3 TRP HE1 . . A . 3 TRP HA . . . 3 . HE1 . . . . . 3 . HA . . c30557_6nm2 1
88 1 . . 1 1 3 3 TRP HZ3 H . . . 1 1 3 3 TRP HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 3 TRP HZ3 . . A . 3 TRP HB2 . . . 3 . HZ3 . . . . . 3 . HB2 . . c30557_6nm2 1
89 1 . . 1 1 3 3 TRP HZ2 H . . . 1 1 3 3 TRP H H . . . . . 4.0 1.8 6.0 . . . . . A . 3 TRP HZ2 . . A . 3 TRP H . . . 3 . HZ2 . . . . . 3 . HN . . c30557_6nm2 1
90 1 OR . 1 1 3 3 TRP HE1 H . . . 1 1 3 3 TRP HB2 H . . . . . 4.0 1.8 7.0 . . . . . A . 3 TRP HE1 . . A . 3 TRP HB2 . . . 3 . HE1 . . . . . 3 . HB# . . c30557_6nm2 1
90 2 OR . 1 1 3 3 TRP HE1 H . . . 1 1 3 3 TRP HB3 H . . . . . 4.0 1.8 7.0 . . . . . A . 3 TRP HE1 . . A . 3 TRP HB3 . . . 3 . HE1 . . . . . 3 . HB# . . c30557_6nm2 1
91 1 . . 1 1 3 3 TRP HB3 H . . . 1 1 3 3 TRP HZ3 H . . . . . 4.0 1.8 6.0 . . . . . A . 3 TRP HB3 . . A . 3 TRP HZ3 . . . 3 . HB1 . . . . . 3 . HZ3 . . c30557_6nm2 1
92 1 . . 1 1 3 3 TRP HE1 H . . . 1 1 3 3 TRP H H . . . . . 4.0 1.8 5.0 . . . . . A . 3 TRP HE1 . . A . 3 TRP H . . . 3 . HE1 . . . . . 3 . HN . . c30557_6nm2 1
93 1 . . 1 1 3 3 TRP HE1 H . . . 1 1 3 3 TRP H H . . . . . 3.0 1.8 3.8 . . . . . A . 3 TRP HE1 . . A . 3 TRP H . . . 3 . HE1 . . . . . 3 . HN . . c30557_6nm2 1
94 1 . . 1 1 3 3 TRP H H . . . 1 1 3 3 TRP HB3 H . . . . . 3.0 1.8 3.8 . . . . . A . 3 TRP H . . A . 3 TRP HB3 . . . 3 . HN . . . . . 3 . HB1 . . c30557_6nm2 1
95 1 . . 1 1 3 3 TRP H H . . . 1 1 3 3 TRP HB2 H . . . . . 3.0 1.8 3.8 . . . . . A . 3 TRP H . . A . 3 TRP HB2 . . . 3 . HN . . . . . 3 . HB2 . . c30557_6nm2 1
96 1 . . 1 1 3 3 TRP HD1 H . . . 1 1 3 3 TRP HA H . . . . . 3.0 1.8 3.8 . . . . . A . 3 TRP HD1 . . A . 3 TRP HA . . . 3 . HD1 . . . . . 3 . HA . . c30557_6nm2 1
97 1 . . 1 1 3 3 TRP HE3 H . . . 1 1 3 3 TRP HA H . . . . . 3.0 1.8 4.3 . . . . . A . 3 TRP HE3 . . A . 3 TRP HA . . . 3 . HE3 . . . . . 3 . HA . . c30557_6nm2 1
98 1 OR . 1 1 3 3 TRP HE1 H . . . 1 1 3 3 TRP HB2 H . . . . . 3.0 1.8 4.8 . . . . . A . 3 TRP HE1 . . A . 3 TRP HB2 . . . 3 . HE1 . . . . . 3 . HB# . . c30557_6nm2 1
98 2 OR . 1 1 3 3 TRP HE1 H . . . 1 1 3 3 TRP HB3 H . . . . . 3.0 1.8 4.8 . . . . . A . 3 TRP HE1 . . A . 3 TRP HB3 . . . 3 . HE1 . . . . . 3 . HB# . . c30557_6nm2 1
99 1 . . 1 1 3 3 TRP HD1 H . . . 1 1 3 3 TRP HB3 H . . . . . 3.0 1.8 4.8 . . . . . A . 3 TRP HD1 . . A . 3 TRP HB3 . . . 3 . HD1 . . . . . 3 . HB1 . . c30557_6nm2 1
100 1 . . 1 1 3 3 TRP HD1 H . . . 1 1 3 3 TRP H H . . . . . 4.0 1.8 5.0 . . . . . A . 3 TRP HD1 . . A . 3 TRP H . . . 3 . HD1 . . . . . 3 . HN . . c30557_6nm2 1
101 1 . . 1 1 3 3 TRP HD1 H . . . 1 1 3 3 TRP HB2 H . . . . . 3.0 1.8 4.8 . . . . . A . 3 TRP HD1 . . A . 3 TRP HB2 . . . 3 . HD1 . . . . . 3 . HB2 . . c30557_6nm2 1
102 1 . . 1 1 3 3 TRP HE1 H . . . 1 1 4 4 LEU HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 3 TRP HE1 . . A . 4 LEU HB2 . . . 3 . HE1 . . . . . 4 . HB2 . . c30557_6nm2 1
103 1 OR . 1 1 3 3 TRP HZ3 H . . . 1 1 4 4 LEU HB3 H . . . . . 4.0 1.8 6.0 . . . . . A . 3 TRP HZ3 . . A . 4 LEU HB3 . . . 3 . HZ3 . . . . . 4 . HB# . . c30557_6nm2 1
103 2 OR . 1 1 4 4 LEU HB2 H . . . 1 1 3 3 TRP HZ3 H . . . . . 4.0 1.8 6.0 . . . . . A . 4 LEU HB2 . . A . 3 TRP HZ3 . . . 4 . HB# . . . . . 3 . HZ3 . . c30557_6nm2 1
104 1 . . 1 1 3 3 TRP HE1 H . . . 1 1 4 4 LEU MD2 H . . . . . 4.0 1.8 5.5 . . . . . A . 3 TRP HE1 . . A . 4 LEU MD2 . . . 3 . HE1 . . . . . 4 . HD2# . . c30557_6nm2 1
105 1 . . 1 1 3 3 TRP HD1 H . . . 1 1 4 4 LEU HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 3 TRP HD1 . . A . 4 LEU HB2 . . . 3 . HD1 . . . . . 4 . HB2 . . c30557_6nm2 1
106 1 . . 1 1 3 3 TRP H H . . . 1 1 4 4 LEU HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 3 TRP H . . A . 4 LEU HB2 . . . 3 . HN . . . . . 4 . HB2 . . c30557_6nm2 1
107 1 . . 1 1 3 3 TRP HZ2 H . . . 1 1 4 4 LEU HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 3 TRP HZ2 . . A . 4 LEU HB2 . . . 3 . HZ2 . . . . . 4 . HB2 . . c30557_6nm2 1
108 1 . . 1 1 3 3 TRP HE1 H . . . 1 1 4 4 LEU MD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 3 TRP HE1 . . A . 4 LEU MD1 . . . 3 . HE1 . . . . . 4 . HD1# . . c30557_6nm2 1
109 1 . . 1 1 3 3 TRP HD1 H . . . 1 1 4 4 LEU MD1 H . . . . . 4.0 1.8 7.0 . . . . . A . 3 TRP HD1 . . A . 4 LEU MD1 . . . 3 . HD1 . . . . . 4 . HD1# . . c30557_6nm2 1
110 1 . . 1 1 3 3 TRP HZ2 H . . . 1 1 4 4 LEU MD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 3 TRP HZ2 . . A . 4 LEU MD2 . . . 3 . HZ2 . . . . . 4 . HD2# . . c30557_6nm2 1
111 1 . . 1 1 4 4 LEU H H . . . 1 1 3 3 TRP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 4 LEU H . . A . 3 TRP HB2 . . . 4 . HN . . . . . 3 . HB2 . . c30557_6nm2 1
112 1 . . 1 1 3 3 TRP HD1 H . . . 1 1 4 4 LEU H H . . . . . 4.0 1.8 5.0 . . . . . A . 3 TRP HD1 . . A . 4 LEU H . . . 3 . HD1 . . . . . 4 . HN . . c30557_6nm2 1
113 1 . . 1 1 4 4 LEU H H . . . 1 1 3 3 TRP HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 4 LEU H . . A . 3 TRP HB3 . . . 4 . HN . . . . . 3 . HB1 . . c30557_6nm2 1
114 1 . . 1 1 3 3 TRP HZ2 H . . . 1 1 4 4 LEU MD1 H . . . . . 3.0 1.8 4.8 . . . . . A . 3 TRP HZ2 . . A . 4 LEU MD1 . . . 3 . HZ2 . . . . . 4 . HD1# . . c30557_6nm2 1
115 1 . . 1 1 3 3 TRP HZ3 H . . . 1 1 4 4 LEU HA H . . . . . 3.0 1.8 3.8 . . . . . A . 3 TRP HZ3 . . A . 4 LEU HA . . . 3 . HZ3 . . . . . 4 . HA . . c30557_6nm2 1
116 1 . . 1 1 3 3 TRP HZ3 H . . . 1 1 4 4 LEU MD2 H . . . . . 3.0 1.8 5.3 . . . . . A . 3 TRP HZ3 . . A . 4 LEU MD2 . . . 3 . HZ3 . . . . . 4 . HD2# . . c30557_6nm2 1
117 1 . . 1 1 3 3 TRP H H . . . 1 1 4 4 LEU H H . . . . . 3.0 1.8 3.8 . . . . . A . 3 TRP H . . A . 4 LEU H . . . 3 . HN . . . . . 4 . HN . . c30557_6nm2 1
118 1 . . 1 1 4 4 LEU MD1 H . . . 1 1 3 3 TRP HZ3 H . . . . . 3.0 1.8 4.8 . . . . . A . 4 LEU MD1 . . A . 3 TRP HZ3 . . . 4 . HD1# . . . . . 3 . HZ3 . . c30557_6nm2 1
119 1 . . 1 1 3 3 TRP HE1 H . . . 1 1 7 7 ILE HB H . . . . . 4.0 1.8 8.0 . . . . . A . 3 TRP HE1 . . A . 7 ILE HB . . . 3 . HE1 . . . . . 7 . HB# . . c30557_6nm2 1
120 1 . . 1 1 3 3 TRP H H . . . 1 1 5 5 ARG H H . . . . . 4.0 1.8 5.0 . . . . . A . 3 TRP H . . A . 5 ARG H . . . 3 . HN . . . . . 5 . HN . . c30557_6nm2 1
121 1 . . 1 1 3 3 TRP HA H . . . 1 1 5 5 ARG H H . . . . . 4.0 1.8 5.0 . . . . . A . 3 TRP HA . . A . 5 ARG H . . . 3 . HA . . . . . 5 . HN . . c30557_6nm2 1
122 1 OR . 1 1 3 3 TRP HA H . . . 1 1 6 6 LYS HD2 H . . . . . 4.0 1.8 5.5 . . . . . A . 3 TRP HA . . A . 6 LYS HD2 . . . 3 . HA . . . . . 6 . HD# . . c30557_6nm2 1
122 2 OR . 1 1 3 3 TRP HA H . . . 1 1 6 6 LYS HD3 H . . . . . 4.0 1.8 5.5 . . . . . A . 3 TRP HA . . A . 6 LYS HD3 . . . 3 . HA . . . . . 6 . HD# . . c30557_6nm2 1
123 1 OR . 1 1 3 3 TRP HD1 H . . . 1 1 6 6 LYS HE2 H . . . . . 4.0 1.8 7.0 . . . . . A . 3 TRP HD1 . . A . 6 LYS HE2 . . . 3 . HD1 . . . . . 6 . HE# . . c30557_6nm2 1
123 2 OR . 1 1 3 3 TRP HD1 H . . . 1 1 6 6 LYS HE3 H . . . . . 4.0 1.8 7.0 . . . . . A . 3 TRP HD1 . . A . 6 LYS HE3 . . . 3 . HD1 . . . . . 6 . HE# . . c30557_6nm2 1
124 1 OR . 1 1 3 3 TRP HA H . . . 1 1 6 6 LYS HE2 H . . . . . 4.0 1.8 5.5 . . . . . A . 3 TRP HA . . A . 6 LYS HE2 . . . 3 . HA . . . . . 6 . HE# . . c30557_6nm2 1
124 2 OR . 1 1 3 3 TRP HA H . . . 1 1 6 6 LYS HE3 H . . . . . 4.0 1.8 5.5 . . . . . A . 3 TRP HA . . A . 6 LYS HE3 . . . 3 . HA . . . . . 6 . HE# . . c30557_6nm2 1
125 1 OR . 1 1 3 3 TRP HA H . . . 1 1 6 6 LYS HB2 H . . . . . 3.0 1.8 4.8 . . . . . A . 3 TRP HA . . A . 6 LYS HB2 . . . 3 . HA . . . . . 6 . HB# . . c30557_6nm2 1
125 2 OR . 1 1 3 3 TRP HA H . . . 1 1 6 6 LYS HB3 H . . . . . 3.0 1.8 4.8 . . . . . A . 3 TRP HA . . A . 6 LYS HB3 . . . 3 . HA . . . . . 6 . HB# . . c30557_6nm2 1
126 1 . . 1 1 3 3 TRP HA H . . . 1 1 6 6 LYS H H . . . . . 3.0 1.8 3.8 . . . . . A . 3 TRP HA . . A . 6 LYS H . . . 3 . HA . . . . . 6 . HN . . c30557_6nm2 1
127 1 OR . 1 1 3 3 TRP HA H . . . 1 1 6 6 LYS HG2 H . . . . . 3.0 1.8 4.8 . . . . . A . 3 TRP HA . . A . 6 LYS HG2 . . . 3 . HA . . . . . 6 . HG# . . c30557_6nm2 1
127 2 OR . 1 1 3 3 TRP HA H . . . 1 1 6 6 LYS HG3 H . . . . . 3.0 1.8 4.8 . . . . . A . 3 TRP HA . . A . 6 LYS HG3 . . . 3 . HA . . . . . 6 . HG# . . c30557_6nm2 1
128 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU MD1 H . . . . . 3.0 1.8 5.5 . . . . . A . 4 LEU H . . A . 4 LEU MD1 . . . 4 . HN . . . . . 4 . HD1# . . c30557_6nm2 1
129 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU MD2 H . . . . . 3.0 1.8 5.5 . . . . . A . 4 LEU H . . A . 4 LEU MD2 . . . 4 . HN . . . . . 4 . HD2# . . c30557_6nm2 1
130 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HB3 H . . . . . 3.0 1.8 4.8 . . . . . A . 4 LEU H . . A . 4 LEU HB3 . . . 4 . HN . . . . . 4 . HB1 . . c30557_6nm2 1
131 1 . . 1 1 4 4 LEU HB3 H . . . 1 1 4 4 LEU MD2 H . . . . . 2.5 1.8 4.2 . . . . . A . 4 LEU HB3 . . A . 4 LEU MD2 . . . 4 . HB1 . . . . . 4 . HD2# . . c30557_6nm2 1
132 1 . . 1 1 4 4 LEU HA H . . . 1 1 4 4 LEU MD2 H . . . . . 2.5 1.8 4.2 . . . . . A . 4 LEU HA . . A . 4 LEU MD2 . . . 4 . HA . . . . . 4 . HD2# . . c30557_6nm2 1
133 1 . . 1 1 4 4 LEU MD1 H . . . 1 1 4 4 LEU HB3 H . . . . . 2.5 1.8 4.2 . . . . . A . 4 LEU MD1 . . A . 4 LEU HB3 . . . 4 . HD1# . . . . . 4 . HB1 . . c30557_6nm2 1
134 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HB2 H . . . . . 2.5 1.8 3.9 . . . . . A . 4 LEU H . . A . 4 LEU HB2 . . . 4 . HN . . . . . 4 . HB2 . . c30557_6nm2 1
135 1 . . 1 1 4 4 LEU MD1 H . . . 1 1 4 4 LEU HB2 H . . . . . 2.5 1.8 4.2 . . . . . A . 4 LEU MD1 . . A . 4 LEU HB2 . . . 4 . HD1# . . . . . 4 . HB2 . . c30557_6nm2 1
136 1 . . 1 1 4 4 LEU HB2 H . . . 1 1 4 4 LEU MD2 H . . . . . 2.5 1.8 4.2 . . . . . A . 4 LEU HB2 . . A . 4 LEU MD2 . . . 4 . HB2 . . . . . 4 . HD2# . . c30557_6nm2 1
137 1 . . 1 1 4 4 LEU H H . . . 1 1 5 5 ARG HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 4 LEU H . . A . 5 ARG HB2 . . . 4 . HN . . . . . 5 . HB2 . . c30557_6nm2 1
138 1 OR . 1 1 4 4 LEU H H . . . 1 1 5 5 ARG HG2 H . . . . . 4.0 1.8 6.0 . . . . . A . 4 LEU H . . A . 5 ARG HG2 . . . 4 . HN . . . . . 5 . HG# . . c30557_6nm2 1
138 2 OR . 1 1 4 4 LEU H H . . . 1 1 5 5 ARG HG3 H . . . . . 4.0 1.8 6.0 . . . . . A . 4 LEU H . . A . 5 ARG HG3 . . . 4 . HN . . . . . 5 . HG# . . c30557_6nm2 1
139 1 . . 1 1 5 5 ARG H H . . . 1 1 4 4 LEU MD2 H . . . . . 3.0 1.8 5.5 . . . . . A . 5 ARG H . . A . 4 LEU MD2 . . . 5 . HN . . . . . 4 . HD2# . . c30557_6nm2 1
140 1 . . 1 1 5 5 ARG H H . . . 1 1 4 4 LEU HB3 H . . . . . 3.0 1.8 4.8 . . . . . A . 5 ARG H . . A . 4 LEU HB3 . . . 5 . HN . . . . . 4 . HB1 . . c30557_6nm2 1
141 1 . . 1 1 4 4 LEU HB2 H . . . 1 1 5 5 ARG H H . . . . . 3.0 1.8 3.8 . . . . . A . 4 LEU HB2 . . A . 5 ARG H . . . 4 . HB2 . . . . . 5 . HN . . c30557_6nm2 1
142 1 . . 1 1 4 4 LEU H H . . . 1 1 5 5 ARG H H . . . . . 2.5 1.8 2.9 . . . . . A . 4 LEU H . . A . 5 ARG H . . . 4 . HN . . . . . 5 . HN . . c30557_6nm2 1
143 1 OR . 1 1 7 7 ILE HA H . . . 1 1 6 6 LYS HD2 H . . . . . 4.0 1.8 5.5 . . . . . A . 7 ILE HA . . A . 6 LYS HD2 . . . 7 . HA . . . . . 6 . HD# . . c30557_6nm2 1
143 2 OR . 1 1 6 6 LYS HD3 H . . . 1 1 7 7 ILE HA H . . . . . 4.0 1.8 5.5 . . . . . A . 6 LYS HD3 . . A . 7 ILE HA . . . 6 . HD# . . . . . 7 . HA . . c30557_6nm2 1
144 1 . . 1 1 4 4 LEU H H . . . 1 1 6 6 LYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 4 LEU H . . A . 6 LYS H . . . 4 . HN . . . . . 6 . HN . . c30557_6nm2 1
145 1 OR . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HD2 H . . . . . 3.0 1.8 4.8 . . . . . A . 5 ARG HA . . A . 5 ARG HD2 . . . 5 . HA . . . . . 5 . HD# . . c30557_6nm2 1
145 2 OR . 1 1 5 5 ARG HD3 H . . . 1 1 5 5 ARG HA H . . . . . 3.0 1.8 4.8 . . . . . A . 5 ARG HD3 . . A . 5 ARG HA . . . 5 . HD# . . . . . 5 . HA . . c30557_6nm2 1
146 1 OR . 1 1 5 5 ARG HB2 H . . . 1 1 5 5 ARG HD2 H . . . . . 3.0 1.8 4.8 . . . . . A . 5 ARG HB2 . . A . 5 ARG HD2 . . . 5 . HB2 . . . . . 5 . HD# . . c30557_6nm2 1
146 2 OR . 1 1 5 5 ARG HB2 H . . . 1 1 5 5 ARG HD3 H . . . . . 3.0 1.8 4.8 . . . . . A . 5 ARG HB2 . . A . 5 ARG HD3 . . . 5 . HB2 . . . . . 5 . HD# . . c30557_6nm2 1
147 1 OR . 1 1 5 5 ARG HB3 H . . . 1 1 5 5 ARG HD2 H . . . . . 3.0 1.8 4.8 . . . . . A . 5 ARG HB3 . . A . 5 ARG HD2 . . . 5 . HB1 . . . . . 5 . HD# . . c30557_6nm2 1
147 2 OR . 1 1 5 5 ARG HD3 H . . . 1 1 5 5 ARG HB3 H . . . . . 3.0 1.8 4.8 . . . . . A . 5 ARG HD3 . . A . 5 ARG HB3 . . . 5 . HD# . . . . . 5 . HB1 . . c30557_6nm2 1
148 1 OR . 1 1 5 5 ARG HA H . . . 1 1 5 5 ARG HG2 H . . . . . 2.5 1.8 4.2 . . . . . A . 5 ARG HA . . A . 5 ARG HG2 . . . 5 . HA . . . . . 5 . HG# . . c30557_6nm2 1
148 2 OR . 1 1 5 5 ARG HG3 H . . . 1 1 5 5 ARG HA H . . . . . 2.5 1.8 4.2 . . . . . A . 5 ARG HG3 . . A . 5 ARG HA . . . 5 . HG# . . . . . 5 . HA . . c30557_6nm2 1
149 1 OR . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HG2 H . . . . . 2.5 1.8 4.4 . . . . . A . 5 ARG H . . A . 5 ARG HG2 . . . 5 . HN . . . . . 5 . HG# . . c30557_6nm2 1
149 2 OR . 1 1 5 5 ARG HG3 H . . . 1 1 5 5 ARG H H . . . . . 2.5 1.8 4.4 . . . . . A . 5 ARG HG3 . . A . 5 ARG H . . . 5 . HG# . . . . . 5 . HN . . c30557_6nm2 1
150 1 . . 1 1 5 5 ARG HB2 H . . . 1 1 5 5 ARG H H . . . . . 2.5 1.8 3.9 . . . . . A . 5 ARG HB2 . . A . 5 ARG H . . . 5 . HB2 . . . . . 5 . HN . . c30557_6nm2 1
151 1 . . 1 1 5 5 ARG H H . . . 1 1 5 5 ARG HB3 H . . . . . 2.5 1.8 3.9 . . . . . A . 5 ARG H . . A . 5 ARG HB3 . . . 5 . HN . . . . . 5 . HB1 . . c30557_6nm2 1
152 1 OR . 1 1 6 6 LYS HA H . . . 1 1 5 5 ARG HG2 H . . . . . 4.0 1.8 6.5 . . . . . A . 6 LYS HA . . A . 5 ARG HG2 . . . 6 . HA . . . . . 5 . HG# . . c30557_6nm2 1
152 2 OR . 1 1 5 5 ARG HG3 H . . . 1 1 6 6 LYS HA H . . . . . 4.0 1.8 6.5 . . . . . A . 5 ARG HG3 . . A . 6 LYS HA . . . 5 . HG# . . . . . 6 . HA . . c30557_6nm2 1
153 1 OR . 1 1 6 6 LYS H H . . . 1 1 5 5 ARG HD2 H . . . . . 4.0 1.8 5.5 . . . . . A . 6 LYS H . . A . 5 ARG HD2 . . . 6 . HN . . . . . 5 . HD# . . c30557_6nm2 1
153 2 OR . 1 1 5 5 ARG HD3 H . . . 1 1 6 6 LYS H H . . . . . 4.0 1.8 5.5 . . . . . A . 5 ARG HD3 . . A . 6 LYS H . . . 5 . HD# . . . . . 6 . HN . . c30557_6nm2 1
154 1 OR . 1 1 6 6 LYS HA H . . . 1 1 6 6 LYS HB2 H . . . . . 2.5 1.8 3.8 . . . . . A . 6 LYS HA . . A . 6 LYS HB2 . . . 6 . HA . . . . . 6 . HB# . . c30557_6nm2 1
154 2 OR . 1 1 6 6 LYS HB3 H . . . 1 1 6 6 LYS HA H . . . . . 2.5 1.8 3.8 . . . . . A . 6 LYS HB3 . . A . 6 LYS HA . . . 6 . HB# . . . . . 6 . HA . . c30557_6nm2 1
155 1 OR . 1 1 6 6 LYS H H . . . 1 1 5 5 ARG HG2 H . . . . . 3.0 1.8 5.0 . . . . . A . 6 LYS H . . A . 5 ARG HG2 . . . 6 . HN . . . . . 5 . HG# . . c30557_6nm2 1
155 2 OR . 1 1 5 5 ARG HG3 H . . . 1 1 6 6 LYS H H . . . . . 3.0 1.8 5.0 . . . . . A . 5 ARG HG3 . . A . 6 LYS H . . . 5 . HG# . . . . . 6 . HN . . c30557_6nm2 1
156 1 . . 1 1 6 6 LYS H H . . . 1 1 5 5 ARG HA H . . . . . 3.0 1.8 3.8 . . . . . A . 6 LYS H . . A . 5 ARG HA . . . 6 . HN . . . . . 5 . HA . . c30557_6nm2 1
157 1 . . 1 1 5 5 ARG H H . . . 1 1 6 6 LYS H H . . . . . 2.5 1.8 2.9 . . . . . A . 5 ARG H . . A . 6 LYS H . . . 5 . HN . . . . . 6 . HN . . c30557_6nm2 1
158 1 OR . 1 1 7 7 ILE H H . . . 1 1 6 6 LYS HB2 H . . . . . 3.0 1.8 4.8 . . . . . A . 7 ILE H . . A . 6 LYS HB2 . . . 7 . HN . . . . . 6 . HB# . . c30557_6nm2 1
158 2 OR . 1 1 6 6 LYS HB3 H . . . 1 1 7 7 ILE H H . . . . . 3.0 1.8 4.8 . . . . . A . 6 LYS HB3 . . A . 7 ILE H . . . 6 . HB# . . . . . 7 . HN . . c30557_6nm2 1
159 1 OR . 1 1 8 8 TRP HZ3 H . . . 1 1 8 8 TRP HB2 H . . . . . 4.0 1.8 6.5 . . . . . A . 8 TRP HZ3 . . A . 8 TRP HB2 . . . 8 . HZ3 . . . . . 8 . HB# . . c30557_6nm2 1
159 2 OR . 1 1 8 8 TRP HB3 H . . . 1 1 8 8 TRP HZ3 H . . . . . 4.0 1.8 6.5 . . . . . A . 8 TRP HB3 . . A . 8 TRP HZ3 . . . 8 . HB# . . . . . 8 . HZ3 . . c30557_6nm2 1
160 1 . . 1 1 5 5 ARG HA H . . . 1 1 8 8 TRP HE1 H . . . . . 4.0 1.8 6.0 . . . . . A . 5 ARG HA . . A . 8 TRP HE1 . . . 5 . HA . . . . . 8 . HE1 . . c30557_6nm2 1
161 1 OR . 1 1 8 8 TRP HD1 H . . . 1 1 7 7 ILE HG13 H . . . . . 4.0 1.8 6.5 . . . . . A . 8 TRP HD1 . . A . 7 ILE HG13 . . . 8 . HD1 . . . . . 7 . HG1# . . c30557_6nm2 1
161 2 OR . 1 1 7 7 ILE HG12 H . . . 1 1 8 8 TRP HD1 H . . . . . 4.0 1.8 6.5 . . . . . A . 7 ILE HG12 . . A . 8 TRP HD1 . . . 7 . HG1# . . . . . 8 . HD1 . . c30557_6nm2 1
162 1 . . 1 1 5 5 ARG HA H . . . 1 1 8 8 TRP HB3 H . . . . . 3.0 1.8 3.8 . . . . . A . 5 ARG HA . . A . 8 TRP HB3 . . . 5 . HA . . . . . 8 . HB1 . . c30557_6nm2 1
163 1 . . 1 1 5 5 ARG HA H . . . 1 1 8 8 TRP HD1 H . . . . . 3.0 1.8 3.8 . . . . . A . 5 ARG HA . . A . 8 TRP HD1 . . . 5 . HA . . . . . 8 . HD1 . . c30557_6nm2 1
164 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HE2 H . . . . . 4.0 1.8 6.5 . . . . . A . 6 LYS H . . A . 6 LYS HE2 . . . 6 . HN . . . . . 6 . HE# . . c30557_6nm2 1
164 2 OR . 1 1 6 6 LYS HE3 H . . . 1 1 6 6 LYS H H . . . . . 4.0 1.8 6.5 . . . . . A . 6 LYS HE3 . . A . 6 LYS H . . . 6 . HE# . . . . . 6 . HN . . c30557_6nm2 1
165 1 OR . 1 1 6 6 LYS HB3 H . . . 1 1 6 6 LYS HE2 H . . . . . 3.0 1.8 4.3 . . . . . A . 6 LYS HB3 . . A . 6 LYS HE2 . . . 6 . HB# . . . . . 6 . HE# . . c30557_6nm2 1
165 2 OR . 1 1 6 6 LYS HE3 H . . . 1 1 6 6 LYS HB2 H . . . . . 3.0 1.8 4.3 . . . . . A . 6 LYS HE3 . . A . 6 LYS HB2 . . . 6 . HE# . . . . . 6 . HB# . . c30557_6nm2 1
165 3 OR . 1 1 6 6 LYS HE3 H . . . 1 1 6 6 LYS HB3 H . . . . . 3.0 1.8 4.3 . . . . . A . 6 LYS HE3 . . A . 6 LYS HB3 . . . 6 . HE# . . . . . 6 . HB# . . c30557_6nm2 1
165 4 OR . 1 1 6 6 LYS HB2 H . . . 1 1 6 6 LYS HE2 H . . . . . 3.0 1.8 4.3 . . . . . A . 6 LYS HB2 . . A . 6 LYS HE2 . . . 6 . HB# . . . . . 6 . HE# . . c30557_6nm2 1
166 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HD2 H . . . . . 3.0 1.8 5.0 . . . . . A . 6 LYS H . . A . 6 LYS HD2 . . . 6 . HN . . . . . 6 . HD# . . c30557_6nm2 1
166 2 OR . 1 1 6 6 LYS HD3 H . . . 1 1 6 6 LYS H H . . . . . 3.0 1.8 5.0 . . . . . A . 6 LYS HD3 . . A . 6 LYS H . . . 6 . HD# . . . . . 6 . HN . . c30557_6nm2 1
167 1 OR . 1 1 6 6 LYS HA H . . . 1 1 6 6 LYS HD2 H . . . . . 3.0 1.8 4.8 . . . . . A . 6 LYS HA . . A . 6 LYS HD2 . . . 6 . HA . . . . . 6 . HD# . . c30557_6nm2 1
167 2 OR . 1 1 6 6 LYS HD3 H . . . 1 1 6 6 LYS HA H . . . . . 3.0 1.8 4.8 . . . . . A . 6 LYS HD3 . . A . 6 LYS HA . . . 6 . HD# . . . . . 6 . HA . . c30557_6nm2 1
168 1 OR . 1 1 6 6 LYS HE3 H . . . 1 1 6 6 LYS HG2 H . . . . . 3.0 1.8 5.3 . . . . . A . 6 LYS HE3 . . A . 6 LYS HG2 . . . 6 . HE# . . . . . 6 . HG# . . c30557_6nm2 1
168 2 OR . 1 1 6 6 LYS HE2 H . . . 1 1 6 6 LYS HG2 H . . . . . 3.0 1.8 5.3 . . . . . A . 6 LYS HE2 . . A . 6 LYS HG2 . . . 6 . HE# . . . . . 6 . HG# . . c30557_6nm2 1
168 3 OR . 1 1 6 6 LYS HG3 H . . . 1 1 6 6 LYS HE2 H . . . . . 3.0 1.8 5.3 . . . . . A . 6 LYS HG3 . . A . 6 LYS HE2 . . . 6 . HG# . . . . . 6 . HE# . . c30557_6nm2 1
168 4 OR . 1 1 6 6 LYS HE3 H . . . 1 1 6 6 LYS HG3 H . . . . . 3.0 1.8 5.3 . . . . . A . 6 LYS HE3 . . A . 6 LYS HG3 . . . 6 . HE# . . . . . 6 . HG# . . c30557_6nm2 1
169 1 OR . 1 1 6 6 LYS HA H . . . 1 1 6 6 LYS HG2 H . . . . . 3.0 1.8 4.8 . . . . . A . 6 LYS HA . . A . 6 LYS HG2 . . . 6 . HA . . . . . 6 . HG# . . c30557_6nm2 1
169 2 OR . 1 1 6 6 LYS HG3 H . . . 1 1 6 6 LYS HA H . . . . . 3.0 1.8 4.8 . . . . . A . 6 LYS HG3 . . A . 6 LYS HA . . . 6 . HG# . . . . . 6 . HA . . c30557_6nm2 1
170 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HG2 H . . . . . 2.5 1.8 4.4 . . . . . A . 6 LYS H . . A . 6 LYS HG2 . . . 6 . HN . . . . . 6 . HG# . . c30557_6nm2 1
170 2 OR . 1 1 6 6 LYS HG3 H . . . 1 1 6 6 LYS H H . . . . . 2.5 1.8 4.4 . . . . . A . 6 LYS HG3 . . A . 6 LYS H . . . 6 . HG# . . . . . 6 . HN . . c30557_6nm2 1
171 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HB2 H . . . . . 2.5 1.8 4.4 . . . . . A . 6 LYS H . . A . 6 LYS HB2 . . . 6 . HN . . . . . 6 . HB# . . c30557_6nm2 1
171 2 OR . 1 1 6 6 LYS HB3 H . . . 1 1 6 6 LYS H H . . . . . 2.5 1.8 4.4 . . . . . A . 6 LYS HB3 . . A . 6 LYS H . . . 6 . HB# . . . . . 6 . HN . . c30557_6nm2 1
172 1 OR . 1 1 7 7 ILE H H . . . 1 1 6 6 LYS HD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 7 ILE H . . A . 6 LYS HD2 . . . 7 . HN . . . . . 6 . HD# . . c30557_6nm2 1
172 2 OR . 1 1 6 6 LYS HD3 H . . . 1 1 7 7 ILE H H . . . . . 4.0 1.8 6.5 . . . . . A . 6 LYS HD3 . . A . 7 ILE H . . . 6 . HD# . . . . . 7 . HN . . c30557_6nm2 1
173 1 . . 1 1 6 6 LYS H H . . . 1 1 7 7 ILE MG H . . . . . 4.0 1.8 7.5 . . . . . A . 6 LYS H . . A . 7 ILE MG . . . 6 . HN . . . . . 7 . HG2# . . c30557_6nm2 1
174 1 OR . 1 1 6 6 LYS H H . . . 1 1 7 7 ILE HG13 H . . . . . 4.0 1.8 7.0 . . . . . A . 6 LYS H . . A . 7 ILE HG13 . . . 6 . HN . . . . . 7 . HG1# . . c30557_6nm2 1
174 2 OR . 1 1 6 6 LYS H H . . . 1 1 7 7 ILE HG12 H . . . . . 4.0 1.8 7.0 . . . . . A . 6 LYS H . . A . 7 ILE HG12 . . . 6 . HN . . . . . 7 . HG1# . . c30557_6nm2 1
175 1 . . 1 1 6 6 LYS HA H . . . 1 1 7 7 ILE MG H . . . . . 4.0 1.8 6.5 . . . . . A . 6 LYS HA . . A . 7 ILE MG . . . 6 . HA . . . . . 7 . HG2# . . c30557_6nm2 1
176 1 OR . 1 1 7 7 ILE H H . . . 1 1 6 6 LYS HG2 H . . . . . 3.0 1.8 5.0 . . . . . A . 7 ILE H . . A . 6 LYS HG2 . . . 7 . HN . . . . . 6 . HG# . . c30557_6nm2 1
176 2 OR . 1 1 6 6 LYS HG3 H . . . 1 1 7 7 ILE H H . . . . . 3.0 1.8 5.0 . . . . . A . 6 LYS HG3 . . A . 7 ILE H . . . 6 . HG# . . . . . 7 . HN . . c30557_6nm2 1
177 1 . . 1 1 6 6 LYS HA H . . . 1 1 7 7 ILE H H . . . . . 3.0 1.8 3.8 . . . . . A . 6 LYS HA . . A . 7 ILE H . . . 6 . HA . . . . . 7 . HN . . c30557_6nm2 1
178 1 . . 1 1 6 6 LYS H H . . . 1 1 7 7 ILE H H . . . . . 2.5 1.8 2.9 . . . . . A . 6 LYS H . . A . 7 ILE H . . . 6 . HN . . . . . 7 . HN . . c30557_6nm2 1
179 1 OR . 1 1 2 2 TRP HH2 H . . . 1 1 6 6 LYS HD2 H . . . . . 4.0 1.8 6.5 . . . . . A . 2 TRP HH2 . . A . 6 LYS HD2 . . . 2 . HH2 . . . . . 6 . HD# . . c30557_6nm2 1
179 2 OR . 1 1 2 2 TRP HH2 H . . . 1 1 6 6 LYS HD3 H . . . . . 4.0 1.8 6.5 . . . . . A . 2 TRP HH2 . . A . 6 LYS HD3 . . . 2 . HH2 . . . . . 6 . HD# . . c30557_6nm2 1
180 1 OR . 1 1 2 2 TRP HZ2 H . . . 1 1 6 6 LYS HE2 H . . . . . 4.0 1.8 5.5 . . . . . A . 2 TRP HZ2 . . A . 6 LYS HE2 . . . 2 . HZ2 . . . . . 6 . HE# . . c30557_6nm2 1
180 2 OR . 1 1 2 2 TRP HZ2 H . . . 1 1 6 6 LYS HE3 H . . . . . 4.0 1.8 5.5 . . . . . A . 2 TRP HZ2 . . A . 6 LYS HE3 . . . 2 . HZ2 . . . . . 6 . HE# . . c30557_6nm2 1
181 1 OR . 1 1 2 2 TRP HZ3 H . . . 1 1 6 6 LYS HB2 H . . . . . 4.0 1.8 6.0 . . . . . A . 2 TRP HZ3 . . A . 6 LYS HB2 . . . 2 . HZ3 . . . . . 6 . HB# . . c30557_6nm2 1
181 2 OR . 1 1 2 2 TRP HZ3 H . . . 1 1 6 6 LYS HB3 H . . . . . 4.0 1.8 6.0 . . . . . A . 2 TRP HZ3 . . A . 6 LYS HB3 . . . 2 . HZ3 . . . . . 6 . HB# . . c30557_6nm2 1
182 1 . . 1 1 6 6 LYS HA H . . . 1 1 8 8 TRP H H . . . . . 4.0 1.8 5.0 . . . . . A . 6 LYS HA . . A . 8 TRP H . . . 6 . HA . . . . . 8 . HN . . c30557_6nm2 1
183 1 . . 1 1 7 7 ILE H H . . . 1 1 7 7 ILE MD H . . . . . 3.0 1.8 5.5 . . . . . A . 7 ILE H . . A . 7 ILE MD . . . 7 . HN . . . . . 7 . HD1# . . c30557_6nm2 1
184 1 . . 1 1 7 7 ILE HA H . . . 1 1 7 7 ILE HG13 H . . . . . 3.0 1.8 3.8 . . . . . A . 7 ILE HA . . A . 7 ILE HG13 . . . 7 . HA . . . . . 7 . HG11 . . c30557_6nm2 1
185 1 OR . 1 1 7 7 ILE H H . . . 1 1 7 7 ILE HG13 H . . . . . 3.0 1.8 4.8 . . . . . A . 7 ILE H . . A . 7 ILE HG13 . . . 7 . HN . . . . . 7 . HG1# . . c30557_6nm2 1
185 2 OR . 1 1 7 7 ILE H H . . . 1 1 7 7 ILE HG12 H . . . . . 3.0 1.8 4.8 . . . . . A . 7 ILE H . . A . 7 ILE HG12 . . . 7 . HN . . . . . 7 . HG1# . . c30557_6nm2 1
186 1 . . 1 1 7 7 ILE H H . . . 1 1 7 7 ILE MG H . . . . . 3.0 1.8 4.5 . . . . . A . 7 ILE H . . A . 7 ILE MG . . . 7 . HN . . . . . 7 . HG2# . . c30557_6nm2 1
187 1 . . 1 1 7 7 ILE MD H . . . 1 1 7 7 ILE HB H . . . . . 2.5 1.8 4.2 . . . . . A . 7 ILE MD . . A . 7 ILE HB . . . 7 . HD1# . . . . . 7 . HB . . c30557_6nm2 1
188 1 . . 1 1 7 7 ILE HA H . . . 1 1 7 7 ILE MD H . . . . . 2.5 1.8 5.2 . . . . . A . 7 ILE HA . . A . 7 ILE MD . . . 7 . HA . . . . . 7 . HD1# . . c30557_6nm2 1
189 1 . . 1 1 7 7 ILE H H . . . 1 1 7 7 ILE HB H . . . . . 2.5 1.8 3.4 . . . . . A . 7 ILE H . . A . 7 ILE HB . . . 7 . HN . . . . . 7 . HB . . c30557_6nm2 1
190 1 . . 1 1 7 7 ILE HA H . . . 1 1 7 7 ILE MG H . . . . . 2.5 1.8 4.2 . . . . . A . 7 ILE HA . . A . 7 ILE MG . . . 7 . HA . . . . . 7 . HG2# . . c30557_6nm2 1
191 1 . . 1 1 8 8 TRP HE1 H . . . 1 1 7 7 ILE MD H . . . . . 4.0 1.8 6.5 . . . . . A . 8 TRP HE1 . . A . 7 ILE MD . . . 8 . HE1 . . . . . 7 . HD1# . . c30557_6nm2 1
192 1 . . 1 1 7 7 ILE MD H . . . 1 1 8 8 TRP HB2 H . . . . . 4.0 1.8 6.5 . . . . . A . 7 ILE MD . . A . 8 TRP HB2 . . . 7 . HD1# . . . . . 8 . HB2 . . c30557_6nm2 1
193 1 . . 1 1 8 8 TRP HE1 H . . . 1 1 7 7 ILE HB H . . . . . 4.0 1.8 5.0 . . . . . A . 8 TRP HE1 . . A . 7 ILE HB . . . 8 . HE1 . . . . . 7 . HB . . c30557_6nm2 1
194 1 . . 1 1 8 8 TRP HD1 H . . . 1 1 7 7 ILE HB H . . . . . 4.0 1.8 6.0 . . . . . A . 8 TRP HD1 . . A . 7 ILE HB . . . 8 . HD1 . . . . . 7 . HB . . c30557_6nm2 1
195 1 . . 1 1 8 8 TRP HE1 H . . . 1 1 7 7 ILE MG H . . . . . 4.0 1.8 5.5 . . . . . A . 8 TRP HE1 . . A . 7 ILE MG . . . 8 . HE1 . . . . . 7 . HG2# . . c30557_6nm2 1
196 1 . . 1 1 8 8 TRP HH2 H . . . 1 1 7 7 ILE HG13 H . . . . . 4.0 1.8 5.0 . . . . . A . 8 TRP HH2 . . A . 7 ILE HG13 . . . 8 . HH2 . . . . . 7 . HG11 . . c30557_6nm2 1
197 1 . . 1 1 7 7 ILE H H . . . 1 1 8 8 TRP HA H . . . . . 4.0 1.8 5.0 . . . . . A . 7 ILE H . . A . 8 TRP HA . . . 7 . HN . . . . . 8 . HA . . c30557_6nm2 1
198 1 OR . 1 1 7 7 ILE MG H . . . 1 1 8 8 TRP HB2 H . . . . . 3.0 1.8 5.8 . . . . . A . 7 ILE MG . . A . 8 TRP HB2 . . . 7 . HG2# . . . . . 8 . HB# . . c30557_6nm2 1
198 2 OR . 1 1 8 8 TRP HB3 H . . . 1 1 7 7 ILE MG H . . . . . 3.0 1.8 5.8 . . . . . A . 8 TRP HB3 . . A . 7 ILE MG . . . 8 . HB# . . . . . 7 . HG2# . . c30557_6nm2 1
199 1 . . 1 1 7 7 ILE MD H . . . 1 1 8 8 TRP HE3 H . . . . . 3.0 1.8 4.8 . . . . . A . 7 ILE MD . . A . 8 TRP HE3 . . . 7 . HD1# . . . . . 8 . HE3 . . c30557_6nm2 1
200 1 . . 1 1 7 7 ILE MG H . . . 1 1 8 8 TRP HZ2 H . . . . . 3.0 1.8 4.8 . . . . . A . 7 ILE MG . . A . 8 TRP HZ2 . . . 7 . HG2# . . . . . 8 . HZ2 . . c30557_6nm2 1
201 1 . . 1 1 7 7 ILE MD H . . . 1 1 8 8 TRP HZ2 H . . . . . 3.0 1.8 4.8 . . . . . A . 7 ILE MD . . A . 8 TRP HZ2 . . . 7 . HD1# . . . . . 8 . HZ2 . . c30557_6nm2 1
202 1 . . 1 1 7 7 ILE MG H . . . 1 1 8 8 TRP HA H . . . . . 3.0 1.8 4.8 . . . . . A . 7 ILE MG . . A . 8 TRP HA . . . 7 . HG2# . . . . . 8 . HA . . c30557_6nm2 1
203 1 . . 1 1 7 7 ILE MG H . . . 1 1 8 8 TRP H H . . . . . 3.0 1.8 5.5 . . . . . A . 7 ILE MG . . A . 8 TRP H . . . 7 . HG2# . . . . . 8 . HN . . c30557_6nm2 1
204 1 OR . 1 1 4 4 LEU MD1 H . . . 1 1 8 8 TRP HD1 H . . . . . 3.0 1.8 4.8 . . . . . A . 4 LEU MD1 . . A . 8 TRP HD1 . . . 4 . HD1* . . . . . 8 . HD1 . . c30557_6nm2 1
204 2 OR . 1 1 8 8 TRP HD1 H . . . 1 1 7 7 ILE MD H . . . . . 3.0 1.8 4.8 . . . . . A . 8 TRP HD1 . . A . 7 ILE MD . . . 8 . HD1 . . . . . 7 . HD1# . . c30557_6nm2 1
205 1 OR . 1 1 8 8 TRP HD1 H . . . 1 1 4 4 LEU MD2 H . . . . . 2.5 1.8 4.2 . . . . . A . 8 TRP HD1 . . A . 4 LEU MD2 . . . 8 . HD1 . . . . . 4 . HD2* . . c30557_6nm2 1
205 2 OR . 1 1 8 8 TRP HD1 H . . . 1 1 7 7 ILE MG H . . . . . 2.5 1.8 4.2 . . . . . A . 8 TRP HD1 . . A . 7 ILE MG . . . 8 . HD1 . . . . . 7 . HG2# . . c30557_6nm2 1
206 1 . . 1 1 7 7 ILE H H . . . 1 1 8 8 TRP H H . . . . . 2.5 1.8 2.9 . . . . . A . 7 ILE H . . A . 8 TRP H . . . 7 . HN . . . . . 8 . HN . . c30557_6nm2 1
207 1 . . 1 1 8 8 TRP HE1 H . . . 1 1 8 8 TRP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 8 TRP HE1 . . A . 8 TRP HB2 . . . 8 . HE1 . . . . . 8 . HB2 . . c30557_6nm2 1
208 1 . . 1 1 8 8 TRP HB3 H . . . 1 1 8 8 TRP HE1 H . . . . . 4.0 1.8 5.0 . . . . . A . 8 TRP HB3 . . A . 8 TRP HE1 . . . 8 . HB1 . . . . . 8 . HE1 . . c30557_6nm2 1
209 1 . . 1 1 8 8 TRP HZ3 H . . . 1 1 8 8 TRP HA H . . . . . 4.0 1.8 5.0 . . . . . A . 8 TRP HZ3 . . A . 8 TRP HA . . . 8 . HZ3 . . . . . 8 . HA . . c30557_6nm2 1
210 1 OR . 1 1 8 8 TRP HE3 H . . . 1 1 8 8 TRP HB2 H . . . . . 3.0 1.8 4.8 . . . . . A . 8 TRP HE3 . . A . 8 TRP HB2 . . . 8 . HE3 . . . . . 8 . HB# . . c30557_6nm2 1
210 2 OR . 1 1 8 8 TRP HB3 H . . . 1 1 8 8 TRP HE3 H . . . . . 3.0 1.8 4.8 . . . . . A . 8 TRP HB3 . . A . 8 TRP HE3 . . . 8 . HB# . . . . . 8 . HE3 . . c30557_6nm2 1
211 1 . . 1 1 8 8 TRP HD1 H . . . 1 1 8 8 TRP HA H . . . . . 4.0 1.8 5.0 . . . . . A . 8 TRP HD1 . . A . 8 TRP HA . . . 8 . HD1 . . . . . 8 . HA . . c30557_6nm2 1
212 1 OR . 1 1 8 8 TRP HE3 H . . . 1 1 8 8 TRP HB2 H . . . . . 3.0 1.8 4.8 . . . . . A . 8 TRP HE3 . . A . 8 TRP HB2 . . . 8 . HE3 . . . . . 8 . HB# . . c30557_6nm2 1
212 2 OR . 1 1 8 8 TRP HB3 H . . . 1 1 8 8 TRP HE3 H . . . . . 3.0 1.8 4.8 . . . . . A . 8 TRP HB3 . . A . 8 TRP HE3 . . . 8 . HB# . . . . . 8 . HE3 . . c30557_6nm2 1
213 1 . . 1 1 8 8 TRP HD1 H . . . 1 1 8 8 TRP HB2 H . . . . . 2.5 1.8 3.7 . . . . . A . 8 TRP HD1 . . A . 8 TRP HB2 . . . 8 . HD1 . . . . . 8 . HB2 . . c30557_6nm2 1
214 1 OR . 1 1 8 8 TRP H H . . . 1 1 8 8 TRP HB2 H . . . . . 3.0 1.8 4.8 . . . . . A . 8 TRP H . . A . 8 TRP HB2 . . . 8 . HN . . . . . 8 . HB# . . c30557_6nm2 1
214 2 OR . 1 1 8 8 TRP HB3 H . . . 1 1 8 8 TRP H H . . . . . 3.0 1.8 4.8 . . . . . A . 8 TRP HB3 . . A . 8 TRP H . . . 8 . HB# . . . . . 8 . HN . . c30557_6nm2 1
215 1 . . 1 1 8 8 TRP HA H . . . 1 1 8 8 TRP HE3 H . . . . . 3.0 1.8 3.8 . . . . . A . 8 TRP HA . . A . 8 TRP HE3 . . . 8 . HA . . . . . 8 . HE3 . . c30557_6nm2 1
216 1 . . 1 1 8 8 TRP HB3 H . . . 1 1 8 8 TRP HD1 H . . . . . 2.5 1.8 3.8 . . . . . A . 8 TRP HB3 . . A . 8 TRP HD1 . . . 8 . HB1 . . . . . 8 . HD1 . . c30557_6nm2 1
stop_
loop_
_Gen_dist_constraint_parse_err.ID
_Gen_dist_constraint_parse_err.Content
_Gen_dist_constraint_parse_err.Begin_line
_Gen_dist_constraint_parse_err.Begin_column
_Gen_dist_constraint_parse_err.End_line
_Gen_dist_constraint_parse_err.End_column
_Gen_dist_constraint_parse_err.Entry_ID
_Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID
1 '# Restraints file 1: ww291_restraints_12202018comb.tbl' 1 1 1 54 c30557_6nm2 1
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1
;
The NMR restrains for WW291
pck2xplr.nawk Table; Input File: W312noe_J252017.sort
Date: Wed Jan 25 18:08:05 EST 2017
Path: /hbar1/gswang/W312/w312_noesy_4ass_Z.fid @ BEGIN_XPLR_PCK_SUM
LBL File-Name All Intra Seq. Short Long
A W312noe_J252017.sort 229 76 81 62 0
Total 229 76 81 62 0
@ END_XPLR_PCK_SUM
@ BEGIN_XPLR_NOE_FILE 1
;
2
1
15
4
c30557_6nm2
1
2 'A.329 at 1.06e+04' 16 77 16 97 c30557_6nm2 1
3 'A.230 at 1.19e+04' 17 77 17 97 c30557_6nm2 1
4 'A.301 at 1.63e+04' 18 78 18 98 c30557_6nm2 1
5 'A.253 at 8.86e+04' 19 78 19 98 c30557_6nm2 1
6 'A.216 at 1.10e+05' 20 78 20 98 c30557_6nm2 1
7 'A.254 at 1.34e+05' 21 77 21 97 c30557_6nm2 1
8 'A.245 at 1.61e+05' 22 77 22 97 c30557_6nm2 1
9 'A.243 at 1.83e+05' 23 77 23 97 c30557_6nm2 1
10 'A.337 at 1.06e+04' 24 77 24 97 c30557_6nm2 1
11 'A.238 at 1.50e+04' 25 78 25 98 c30557_6nm2 1
12 'A.440 at 1.03e+04' 26 77 26 97 c30557_6nm2 1
13 'A.302 at 1.18e+04' 27 77 27 97 c30557_6nm2 1
14 'A.232 at 1.41e+04' 28 77 28 97 c30557_6nm2 1
15 'A.255 at 1.44e+04' 29 77 29 97 c30557_6nm2 1
16 'A.395 at 1.67e+04' 30 77 30 97 c30557_6nm2 1
17 'A.114 at 1.69e+04' 31 77 31 97 c30557_6nm2 1
18 'A.570 at 2.00e+04' 32 78 32 98 c30557_6nm2 1
19 'A.358 at 2.06e+04' 33 77 33 97 c30557_6nm2 1
20 'A.228 at 2.08e+04' 34 77 34 97 c30557_6nm2 1
21 'A.396 at 2.24e+04' 35 77 35 97 c30557_6nm2 1
22 'A.331 at 2.60e+04' 36 77 36 97 c30557_6nm2 1
23 'A.231 at 2.75e+04' 37 77 37 97 c30557_6nm2 1
24 'A.318 at 1.11e+04' 38 77 38 97 c30557_6nm2 1
25 'A.280 at 1.16e+04' 39 77 39 97 c30557_6nm2 1
26 'A.282 at 1.43e+04' 40 77 40 97 c30557_6nm2 1
27 'A.246 at 1.52e+04' 41 77 41 97 c30557_6nm2 1
28 'A.494 at 1.54e+04' 42 77 42 97 c30557_6nm2 1
29 'A.259 at 1.66e+04' 43 78 43 98 c30557_6nm2 1
30 'A.115 at 1.70e+04' 44 77 44 97 c30557_6nm2 1
31 'A.400 at 2.05e+04' 45 77 45 97 c30557_6nm2 1
32 'A.113 at 2.07e+04' 46 77 46 97 c30557_6nm2 1
33 'A.279 at 2.23e+04' 47 77 47 97 c30557_6nm2 1
34 'A.546 at 2.42e+04' 48 77 48 97 c30557_6nm2 1
35 'A.247 at 2.48e+04' 49 77 49 97 c30557_6nm2 1
36 'A.493 at 4.43e+04' 50 77 50 97 c30557_6nm2 1
37 'A.281 at 2.93e+04' 51 77 51 97 c30557_6nm2 1
38 'A.258 at 3.76e+04' 52 78 52 98 c30557_6nm2 1
39 'A.278 at 4.19e+04' 53 77 53 97 c30557_6nm2 1
40 'A.219 at 4.76e+04' 54 78 54 98 c30557_6nm2 1
41 'A.260 at 7.01e+04' 55 77 55 97 c30557_6nm2 1
42 'A.261 at 1.00e+05 (RA)' 56 76 56 101 c30557_6nm2 1
43
;
A.220 at 1.14e+05 (RA)
2
;
57
78
59
4
c30557_6nm2
1
44 'A.252 at 1.21e+04' 60 77 60 97 c30557_6nm2 1
45 'A.225 at 1.98e+04' 61 78 61 98 c30557_6nm2 1
46 'A.236 at 9.61e+04' 62 78 62 98 c30557_6nm2 1
47 'A.235 at 1.10e+05' 63 77 63 97 c30557_6nm2 1
48 'A.320 at 1.66e+05' 64 78 64 98 c30557_6nm2 1
49 'A.334 at 1.70e+05' 65 77 65 97 c30557_6nm2 1
50 'A.359 at 1.06e+04' 66 77 66 97 c30557_6nm2 1
51 'A.296 at 1.16e+04' 67 77 67 97 c30557_6nm2 1
52 'A.257 at 1.37e+04' 68 77 68 97 c30557_6nm2 1
53 'A.125 at 1.47e+04' 69 77 69 97 c30557_6nm2 1
54 'A.249 at 1.58e+04' 70 77 70 97 c30557_6nm2 1
55 'A.291 at 1.69e+04' 71 77 71 97 c30557_6nm2 1
56 'A.237 at 1.84e+04' 72 77 72 97 c30557_6nm2 1
57 'A.394 at 1.84e+04' 73 78 73 98 c30557_6nm2 1
58 'A.362 at 1.92e+04' 74 77 74 97 c30557_6nm2 1
59 'A.417 at 1.95e+04' 75 77 75 97 c30557_6nm2 1
60 'A.290 at 2.73e+04' 76 78 76 98 c30557_6nm2 1
61 'A.310 at 3.08e+04' 77 78 77 98 c30557_6nm2 1
62 'A.90 at 3.75e+04' 78 77 78 97 c30557_6nm2 1
63 'A.384 at 3.80e+04' 79 77 79 97 c30557_6nm2 1
64 'A.393 at 3.82e+04' 80 77 80 97 c30557_6nm2 1
65 'A.385 at 4.30e+04' 81 77 81 97 c30557_6nm2 1
66 'A.343 at 5.74e+04' 82 77 82 97 c30557_6nm2 1
67 'A.91 at 6.14e+04' 83 77 83 97 c30557_6nm2 1
68 'A.386 at 6.58e+04' 84 77 84 97 c30557_6nm2 1
69 'A.227 at 7.78e+04' 85 77 85 97 c30557_6nm2 1
70 'A.361 at 8.51e+04' 86 77 86 97 c30557_6nm2 1
71 'A.370 at 8.58e+04' 87 77 87 97 c30557_6nm2 1
72 'A.401 at 1.79e+04' 88 77 88 97 c30557_6nm2 1
73 'A.404 at 2.08e+04' 89 78 89 98 c30557_6nm2 1
74 'A.87 at 2.37e+04' 90 77 90 97 c30557_6nm2 1
75 'A.313 at 1.33e+04' 91 78 91 98 c30557_6nm2 1
76 'A.275 at 1.34e+04' 92 77 92 97 c30557_6nm2 1
77 'A.276 at 1.44e+04' 93 77 93 97 c30557_6nm2 1
78 'A.330 at 2.01e+04' 94 78 94 98 c30557_6nm2 1
79 'A.99 at 2.84e+04' 95 77 95 97 c30557_6nm2 1
80 'A.293 at 1.61e+04' 96 77 96 97 c30557_6nm2 1
81 'A.312 at 3.14e+04' 97 77 97 97 c30557_6nm2 1
82 'A.311 at 3.18e+04' 98 77 98 97 c30557_6nm2 1
83 'A.297 at 3.36e+04' 99 77 99 97 c30557_6nm2 1
84 'A.300 at 3.80e+04' 100 77 100 97 c30557_6nm2 1
85 'A.307 at 4.47e+04' 101 77 101 97 c30557_6nm2 1
86 'A.314 at 4.61e+04' 102 77 102 97 c30557_6nm2 1
87
;
A.316 at 4.95e+04
3
;
103
77
105
4
c30557_6nm2
1
88 'A.38 at 1.04e+04' 106 77 106 97 c30557_6nm2 1
89 'A.292 at 1.12e+04' 107 77 107 97 c30557_6nm2 1
90 'A.430 at 1.35e+04' 108 77 108 97 c30557_6nm2 1
91 'A.41 at 1.38e+04' 109 77 109 97 c30557_6nm2 1
92 'A.366 at 1.89e+04' 110 77 110 97 c30557_6nm2 1
93 'A.15 at 2.43e+04' 111 77 111 97 c30557_6nm2 1
94 'A.420 at 5.11e+04' 112 78 112 98 c30557_6nm2 1
95 'A.96 at 6.89e+04' 113 77 113 97 c30557_6nm2 1
96 'A.110 at 6.94e+04' 114 77 114 97 c30557_6nm2 1
97 'A.241 at 8.99e+04' 115 77 115 97 c30557_6nm2 1
98 'A.305 at 1.07e+05' 117 78 117 98 c30557_6nm2 1
99 'A.364 at 1.22e+05' 118 77 118 97 c30557_6nm2 1
100 'A.188 at 1.41e+05' 119 77 119 97 c30557_6nm2 1
101 'A.244 at 1.47e+05' 120 77 120 97 c30557_6nm2 1
102 'A.44 at 1.32e+04' 121 77 121 97 c30557_6nm2 1
103 'A.340 at 1.38e+04' 122 77 122 97 c30557_6nm2 1
104 'A.45 at 1.43e+04' 123 77 123 97 c30557_6nm2 1
105 'A.267 at 1.48e+04' 124 77 124 97 c30557_6nm2 1
106 'A.138 at 1.51e+04' 125 77 125 97 c30557_6nm2 1
107 'A.263 at 1.76e+04' 126 77 126 97 c30557_6nm2 1
108 'A.46 at 2.10e+04' 127 77 127 97 c30557_6nm2 1
109 'A.248 at 2.35e+04' 128 77 128 97 c30557_6nm2 1
110 'A.262 at 2.43e+04' 129 77 129 97 c30557_6nm2 1
111 'A.116 at 2.51e+04' 130 77 130 97 c30557_6nm2 1
112 'A.187 at 2.65e+04' 131 77 131 97 c30557_6nm2 1
113 'A.112 at 2.71e+04' 132 77 132 97 c30557_6nm2 1
114 'A.264 at 3.48e+04' 133 77 133 97 c30557_6nm2 1
115 'A.240 at 4.68e+04' 134 77 134 97 c30557_6nm2 1
116 'A.349 at 9.24e+04' 135 77 135 97 c30557_6nm2 1
117 'A.186 at 1.01e+05' 136 77 136 97 c30557_6nm2 1
118 'A.347 at 1.26e+05' 137 77 137 97 c30557_6nm2 1
119 'A.351 at 1.27e+05' 138 77 138 97 c30557_6nm2 1
120 'A.499 at 1.79e+05' 139 77 139 97 c30557_6nm2 1
121 'A.43 at 1.09e+04' 140 77 140 97 c30557_6nm2 1
122 'A.184 at 1.76e+04' 141 77 141 97 c30557_6nm2 1
123 'A.66 at 2.15e+05' 142 77 142 97 c30557_6nm2 1
124 'A.272 at 1.64e+04' 143 77 143 97 c30557_6nm2 1
125 'A.365 at 1.88e+04' 144 77 144 97 c30557_6nm2 1
126 'A.467 at 2.21e+04' 145 77 145 97 c30557_6nm2 1
127 'A.306 at 2.34e+04' 146 77 146 97 c30557_6nm2 1
128 'A.273 at 5.07e+04' 147 77 147 97 c30557_6nm2 1
129 'A.56 at 5.62e+04' 148 77 148 97 c30557_6nm2 1
130
;
A.567 at 7.72e+04
4
;
149
77
151
4
c30557_6nm2
1
131 'A.141 at 5.75e+04' 152 77 152 97 c30557_6nm2 1
132 'A.140 at 5.81e+04' 153 77 153 97 c30557_6nm2 1
133 'A.119 at 1.44e+05' 154 77 154 97 c30557_6nm2 1
134 'A.523 at 2.17e+05' 155 77 155 97 c30557_6nm2 1
135 'A.455 at 2.33e+05' 156 77 156 97 c30557_6nm2 1
136 'A.504 at 2.55e+05' 157 77 157 97 c30557_6nm2 1
137 'A.139 at 3.33e+05' 158 77 158 97 c30557_6nm2 1
138 'A.509 at 4.80e+05' 159 77 159 97 c30557_6nm2 1
139 'A.510 at 7.30e+05' 160 77 160 97 c30557_6nm2 1
140 'A.117 at 1.67e+04' 161 77 161 97 c30557_6nm2 1
141 'A.118 at 1.97e+04' 162 77 162 97 c30557_6nm2 1
142 'A.146 at 4.52e+04' 163 77 163 97 c30557_6nm2 1
143 'A.128 at 1.14e+05' 164 77 164 97 c30557_6nm2 1
144 'A.145 at 1.44e+05' 165 77 165 97 c30557_6nm2 1
145 'A.182 at 2.00e+05' 166 77 166 97 c30557_6nm2 1
146 'A.452 at 1.41e+04' 167 77 167 97 c30557_6nm2 1
147
;
A.175 at 2.27e+04
5
;
168
77
170
4
c30557_6nm2
1
148 'A.287 at 7.72e+04' 171 77 171 97 c30557_6nm2 1
149 'A.477 at 9.75e+04' 172 77 172 97 c30557_6nm2 1
150 'A.478 at 1.03e+05' 173 77 173 97 c30557_6nm2 1
151 'A.442 at 1.84e+05' 174 77 174 97 c30557_6nm2 1
152 'A.127 at 2.24e+05' 175 77 175 97 c30557_6nm2 1
153 'A.126 at 2.33e+05' 176 77 176 97 c30557_6nm2 1
154 'A.124 at 3.21e+05' 177 77 177 97 c30557_6nm2 1
155 'A.445 at 1.22e+04' 178 77 178 97 c30557_6nm2 1
156 'A.97 at 2.04e+04' 179 77 179 97 c30557_6nm2 1
157 'A.448 at 1.89e+05' 180 77 180 97 c30557_6nm2 1
158 'A.122 at 5.89e+04' 181 77 181 97 c30557_6nm2 1
159 'A.55 at 1.50e+05' 182 77 182 97 c30557_6nm2 1
160 'A.171 at 2.10e+05' 183 77 183 97 c30557_6nm2 1
161 'A.134 at 1.24e+05' 184 77 184 97 c30557_6nm2 1
162 'A.344 at 1.19e+04' 185 77 185 97 c30557_6nm2 1
163 'A.30 at 1.35e+04' 186 77 186 97 c30557_6nm2 1
164 'A.218 at 1.68e+04-RA' 187 78 187 101 c30557_6nm2 1
165 'A.332 at 1.92e+04' 188 77 188 97 c30557_6nm2 1
166 'A.283 at 3.17e+04' 189 77 189 97 c30557_6nm2 1
167
;
A.326 at 4.86e+04
6
;
190
77
192
4
c30557_6nm2
1
168 'A.98 at 1.22e+04' 193 77 193 97 c30557_6nm2 1
169 'A.473 at 2.86e+04' 194 77 194 97 c30557_6nm2 1
170 'A.121 at 4.43e+04' 195 77 195 97 c30557_6nm2 1
171 'A.446 at 1.10e+05' 196 77 196 97 c30557_6nm2 1
172 'A.475 at 1.30e+05' 197 77 197 97 c30557_6nm2 1
173 'A.444 at 1.47e+05' 198 77 198 97 c30557_6nm2 1
174 'A.123 at 1.83e+05' 199 77 199 97 c30557_6nm2 1
175 'A.120 at 3.61e+05' 200 77 200 97 c30557_6nm2 1
176 'A.136 at 1.89e+04' 201 77 201 97 c30557_6nm2 1
177 'A.143 at 2.08e+04' 202 77 202 97 c30557_6nm2 1
178 'A.142 at 2.43e+04' 203 77 203 97 c30557_6nm2 1
179 'A.456 at 2.72e+04' 204 77 204 97 c30557_6nm2 1
180 'A.137 at 4.57e+04' 205 77 205 97 c30557_6nm2 1
181 'A.72 at 1.55e+05' 206 77 206 97 c30557_6nm2 1
182 'A.173 at 2.05e+05' 207 77 207 97 c30557_6nm2 1
183 'A.304 at 1.25e+04' 208 77 208 97 c30557_6nm2 1
184 'A.95 at 1.45e+04' 209 77 209 97 c30557_6nm2 1
185 'A.174 at 1.78e+04' 210 77 210 97 c30557_6nm2 1
186 'A.342 at 1.87e+04' 211 78 211 98 c30557_6nm2 1
187 'A.224 at 2.09e+04' 212 77 212 97 c30557_6nm2 1
188 'A.239 at 2.88e+04' 213 77 213 97 c30557_6nm2 1
189
;
A.100 at 4.67e+04
7
;
214
77
216
4
c30557_6nm2
1
190 'A.150 at 6.69e+04' 217 77 217 97 c30557_6nm2 1
191 'A.451 at 1.13e+05' 218 77 218 97 c30557_6nm2 1
192 'A.149 at 1.48e+05' 219 77 219 97 c30557_6nm2 1
193 'A.151 at 1.48e+05' 220 77 220 97 c30557_6nm2 1
194 'A.500 at 2.06e+05' 221 77 221 97 c30557_6nm2 1
195 'A.454 at 2.09e+05' 222 77 222 97 c30557_6nm2 1
196 'A.133 at 3.22e+05' 223 77 223 97 c30557_6nm2 1
197 'A.530 at 5.67e+05' 224 77 224 97 c30557_6nm2 1
198 'A.50 at 1.15e+04' 225 77 225 97 c30557_6nm2 1
199 'A.538 at 1.27e+04' 226 77 226 97 c30557_6nm2 1
200 'A.48 at 1.45e+04' 227 77 227 97 c30557_6nm2 1
201 'A.217 at 1.45e+04' 228 77 228 97 c30557_6nm2 1
202 'A.51 at 2.03e+04' 229 77 229 97 c30557_6nm2 1
203 'A.308 at 2.14e+04' 230 77 230 97 c30557_6nm2 1
204 'A.109 at 2.37e+04' 231 77 231 97 c30557_6nm2 1
205 'A.489 at 3.52e+04' 232 77 232 97 c30557_6nm2 1
206 'A.434 at 3.84e+04' 233 78 233 98 c30557_6nm2 1
207 'A.438 at 4.37e+04' 234 77 234 97 c30557_6nm2 1
208 'A.328 at 4.86e+04' 236 77 236 97 c30557_6nm2 1
209 'A.288 at 5.46e+04' 237 77 237 97 c30557_6nm2 1
210 'A.148 at 1.22e+05' 238 77 238 97 c30557_6nm2 1
211 'A.221 at 1.60e+05' 239 106 239 126 c30557_6nm2 1
212 'A.222 at 1.72e+05' 240 108 240 128 c30557_6nm2 1
213
;
A.177 at 3.40e+05
8
;
241
77
243
4
c30557_6nm2
1
214 'A.36 at 1.47e+04' 244 77 244 97 c30557_6nm2 1
215 'A.37 at 1.53e+04' 245 77 245 97 c30557_6nm2 1
216 'A.233 at 2.07e+04' 246 78 246 98 c30557_6nm2 1
217 'A.298 at 2.81e+04' 247 76 247 96 c30557_6nm2 1
218 'A.207 at 5.90e+04' 248 77 248 97 c30557_6nm2 1
219 'A.338 at 7.44e+04' 249 77 249 97 c30557_6nm2 1
220 'A.234 at 9.44e+04' 250 77 250 97 c30557_6nm2 1
221 'A.335 at 1.22e+05' 251 78 251 98 c30557_6nm2 1
222 'A.208 at 1.40e+05' 252 77 252 97 c30557_6nm2 1
223 'A.336 at 1.65e+05' 253 77 253 97 c30557_6nm2 1
224 'A.213 at 1.79e+05' 254 77 254 97 c30557_6nm2 1
225 'A.70 at 2.09e+05' 255 77 255 97 c30557_6nm2 1
226 'A.223 at 2.25e+05' 256 78 256 98 c30557_6nm2 1
227
;
A.212 at 2.58e+05
@ END_XPLR_NOE_FILE
;
257
77
259
21
c30557_6nm2
1
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 2 118 1 "Not handling restraint 118, item 1, resonance(s) ' .3.HE' (nmrStar names) not linked" c30557_6nm2 1
2 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .3.HE' (nmrStar names) not linked" c30557_6nm2 1
3 2 127 1 "Not handling restraint 127, item 1, resonance(s) ' .3.HE' (nmrStar names) not linked" c30557_6nm2 1
4 2 127 1 "Not handling restraint 127, item 1, resonance(s) ' .3.HE' (nmrStar names) not linked" c30557_6nm2 1
5 2 165 1 "Not handling restraint 165, item 1, resonance(s) ' .8.H2' (nmrStar names) not linked" c30557_6nm2 1
6 2 185 1 "Not handling restraint 185, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" c30557_6nm2 1
7 2 187 1 "Not handling restraint 187, item 1, resonance(s) ' .8.H2' (nmrStar names) not linked" c30557_6nm2 1
8 2 188 1 "Not handling restraint 188, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" c30557_6nm2 1
9 2 209 1 "Not handling restraint 209, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" c30557_6nm2 1
10 2 218 1 "Not handling restraint 218, item 1, resonance(s) ' .8.H2' (nmrStar names) not linked" c30557_6nm2 1
11 2 218 1 "Not handling restraint 218, item 1, resonance(s) ' .8.H2' (nmrStar names) not linked" c30557_6nm2 1
12 2 219 1 "Not handling restraint 219, item 1, resonance(s) ' .8.H2' (nmrStar names) not linked" c30557_6nm2 1
13 2 220 1 "Not handling restraint 220, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" c30557_6nm2 1
14 2 220 1 "Not handling restraint 220, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" c30557_6nm2 1
15 2 221 1 "Not handling restraint 221, item 1, resonance(s) ' .8.H1' (nmrStar names) not linked" c30557_6nm2 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Entry_ID c30557_6nm2
_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 3
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
. . . . c30557_6nm2 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 . . 1 1 2 2 TRP C C . . 1 1 3 3 TRP N N . . 1 1 3 3 TRP CA C . . 1 1 3 3 TRP C C . -103.0 -43.0 . . . A . 2 TRP C . . A . 3 TRP N . . A . 3 TRP CA . . A . 3 TRP C . . . 2 . C . . . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . c30557_6nm2 1
2 . . 1 1 3 3 TRP N N . . 1 1 3 3 TRP CA C . . 1 1 3 3 TRP C C . . 1 1 4 4 LEU N N . -55.0 5.0 . . . A . 3 TRP N . . A . 3 TRP CA . . A . 3 TRP C . . A . 4 LEU N . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . . . . 4 . N . . c30557_6nm2 1
3 . . 1 1 3 3 TRP C C . . 1 1 4 4 LEU N N . . 1 1 4 4 LEU CA C . . 1 1 4 4 LEU C C . -78.0 -58.0 . . . A . 3 TRP C . . A . 4 LEU N . . A . 4 LEU CA . . A . 4 LEU C . . . 3 . C . . . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . c30557_6nm2 1
4 . . 1 1 4 4 LEU N N . . 1 1 4 4 LEU CA C . . 1 1 4 4 LEU C C . . 1 1 5 5 ARG N N . -50.0 -20.0 . . . A . 4 LEU N . . A . 4 LEU CA . . A . 4 LEU C . . A . 5 ARG N . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . . . . 5 . N . . c30557_6nm2 1
5 . . 1 1 4 4 LEU C C . . 1 1 5 5 ARG N N . . 1 1 5 5 ARG CA C . . 1 1 5 5 ARG C C . -80.0 -50.0 . . . A . 4 LEU C . . A . 5 ARG N . . A . 5 ARG CA . . A . 5 ARG C . . . 4 . C . . . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . c30557_6nm2 1
6 . . 1 1 5 5 ARG N N . . 1 1 5 5 ARG CA C . . 1 1 5 5 ARG C C . . 1 1 6 6 LYS N N . -48.0 -18.0 . . . A . 5 ARG N . . A . 5 ARG CA . . A . 5 ARG C . . A . 6 LYS N . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . . . . 6 . N . . c30557_6nm2 1
7 . . 1 1 5 5 ARG C C . . 1 1 6 6 LYS N N . . 1 1 6 6 LYS CA C . . 1 1 6 6 LYS C C . -85.0 -55.0 . . . A . 5 ARG C . . A . 6 LYS N . . A . 6 LYS CA . . A . 6 LYS C . . . 5 . C . . . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . c30557_6nm2 1
8 . . 1 1 6 6 LYS N N . . 1 1 6 6 LYS CA C . . 1 1 6 6 LYS C C . . 1 1 7 7 ILE N N . -45.0 -15.0 . . . A . 6 LYS N . . A . 6 LYS CA . . A . 6 LYS C . . A . 7 ILE N . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . . . . 7 . N . . c30557_6nm2 1
9 . . 1 1 6 6 LYS C C . . 1 1 7 7 ILE N N . . 1 1 7 7 ILE CA C . . 1 1 7 7 ILE C C . -93.0 -53.0 . . . A . 6 LYS C . . A . 7 ILE N . . A . 7 ILE CA . . A . 7 ILE C . . . 6 . C . . . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . c30557_6nm2 1
10 . . 1 1 7 7 ILE N N . . 1 1 7 7 ILE CA C . . 1 1 7 7 ILE C C . . 1 1 8 8 TRP N N . -45.0 -5.0 . . . A . 7 ILE N . . A . 7 ILE CA . . A . 7 ILE C . . A . 8 TRP N . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . . . . 8 . N . . c30557_6nm2 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
! phi and phi angles for w312 #Z Jan 12 2017
! 3
;
1
1
3
5
c30557_6nm2
1
2 '! 4' 7 72 9 5 c30557_6nm2 1
3 '! 5' 13 72 15 5 c30557_6nm2 1
4 '! 6' 19 72 21 11 c30557_6nm2 1
5 '! 7' 25 72 27 5 c30557_6nm2 1
6 END 31 72 33 5 c30557_6nm2 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 c30557_6nm2
_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 ANTIMICROBIAL PROTEIN 10-JAN-19 6NM2 *TITLE NMR STRUCTURE OF WW291 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: WW291 PEPTIDE; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; *SOURCE 4 ORGANISM_TAXID: 32630 *KEYWDS ANTIMICROBIAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 5 *AUTHOR G.WANG,D.ZARENA *REVDAT 1 15-JUL-20 6NM2 0'
save_