data_c17669_2ldj ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c17669_2ldj _Entry.Title ; 1H Chemical Shift Assignments and structure of Trp-Cage mini-protein with D-amino acid ; _Entry.Version_type original _Entry.Submission_date 2011-05-27 _Entry.Accession_date 2011-05-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.0.52 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Agustina Granillo . Rodriguez . c17669_2ldj 2 Srinivas Annavarapu . . . c17669_2ldj 3 Lei Zhang . . . c17669_2ldj 4 Ronald Koder . . . c17669_2ldj 5 Vikas Nanda . . . c17669_2ldj stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . c17669_2ldj stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Trp-Cage mini-protein' . c17669_2ldj 'computational protein design' . c17669_2ldj 'D-amino acid' . c17669_2ldj 'hydrogen bonding' . c17669_2ldj alpha-helix . c17669_2ldj stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c17669_2ldj stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 141 c17669_2ldj '15N chemical shifts' 1 c17669_2ldj stop_ loop_ _Release.Release_number _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 2011-06-24 2011-05-27 original author . c17669_2ldj stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c17669_2ldj _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Computational design of stabilizing D-amino acid substitutions' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _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.Entry_ID _Citation_author.Citation_ID 1 Agustina Granillo . Rodriguez . c17669_2ldj 1 2 Srinivas Annavarapu . . . c17669_2ldj 1 3 Lei Zhang . . . c17669_2ldj 1 4 Ronald Koder . . . c17669_2ldj 1 5 Vikas Nanda . . . c17669_2ldj 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c17669_2ldj _Assembly.ID 1 _Assembly.Name 'Computational design of stabilizing D-amino acid substitutions' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Trp-Cage mini-protein' 1 $Trp-Cage_mini-protein A . yes native no no . . . c17669_2ldj 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Trp-Cage_mini-protein _Entity.Sf_category entity _Entity.Sf_framecode Trp-Cage_mini-protein _Entity.Entry_ID c17669_2ldj _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Trp-Cage_mini-protein _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 NLYIQWLKDXGPSSGRPPPS _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 20 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2271.578 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2011-12-03 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2LDJ . '1h Chemical Shift Assignments And Structure Of Trp-Cage Mini-Protein With D-Amino Acid' . . . . . 100.00 20 100.00 100.00 4.29e-02 . . . . c17669_2ldj 1 stop_ 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 . ASN . c17669_2ldj 1 2 . LEU . c17669_2ldj 1 3 . TYR . c17669_2ldj 1 4 . ILE . c17669_2ldj 1 5 . GLN . c17669_2ldj 1 6 . TRP . c17669_2ldj 1 7 . LEU . c17669_2ldj 1 8 . LYS . c17669_2ldj 1 9 . ASP . c17669_2ldj 1 10 . GND . c17669_2ldj 1 11 . GLY . c17669_2ldj 1 12 . PRO . c17669_2ldj 1 13 . SER . c17669_2ldj 1 14 . SER . c17669_2ldj 1 15 . GLY . c17669_2ldj 1 16 . ARG . c17669_2ldj 1 17 . PRO . c17669_2ldj 1 18 . PRO . c17669_2ldj 1 19 . PRO . c17669_2ldj 1 20 . SER . c17669_2ldj 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 . ASN 1 1 c17669_2ldj 1 . LEU 2 2 c17669_2ldj 1 . TYR 3 3 c17669_2ldj 1 . ILE 4 4 c17669_2ldj 1 . GLN 5 5 c17669_2ldj 1 . TRP 6 6 c17669_2ldj 1 . LEU 7 7 c17669_2ldj 1 . LYS 8 8 c17669_2ldj 1 . ASP 9 9 c17669_2ldj 1 . GND 10 10 c17669_2ldj 1 . GLY 11 11 c17669_2ldj 1 . PRO 12 12 c17669_2ldj 1 . SER 13 13 c17669_2ldj 1 . SER 14 14 c17669_2ldj 1 . GLY 15 15 c17669_2ldj 1 . ARG 16 16 c17669_2ldj 1 . PRO 17 17 c17669_2ldj 1 . PRO 18 18 c17669_2ldj 1 . PRO 19 19 c17669_2ldj 1 . SER 20 20 c17669_2ldj 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID c17669_2ldj _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Trp-Cage_mini-protein . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c17669_2ldj 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID c17669_2ldj _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Trp-Cage_mini-protein . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c17669_2ldj 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GND _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GND _Chem_comp.Entry_ID c17669_2ldj _Chem_comp.ID GND _Chem_comp.Provenance . _Chem_comp.Name '2-AMINO-5-GUANIDINO-PENTANOIC ACID' _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code . _Chem_comp.PDB_code GND _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2003-01-17 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code X _Chem_comp.Three_letter_code GND _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code . _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 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H15 N4 O2' _Chem_comp.Formula_weight 175.209 _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 . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 17:53:56 2011 ; _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 O=C(O)C(CCCNC(=[N@H])N)[NH3+] SMILES ACDLabs 10.04 c17669_2ldj GND NC(=N)NCCC[C@H]([NH3+])C(O)=O SMILES_CANONICAL CACTVS 3.341 c17669_2ldj GND NC(=N)NCCC[CH]([NH3+])C(O)=O SMILES CACTVS 3.341 c17669_2ldj GND [H]/N=C(/N)\NCCC[C@@H](C(=O)O)[NH3+] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c17669_2ldj GND [H]N=C(N)NCCCC(C(=O)O)[NH3+] SMILES 'OpenEye OEToolkits' 1.5.0 c17669_2ldj GND InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1 InChI InChI 1.03 c17669_2ldj GND ODKSFYDXXFIFQN-BYPYZUCNSA-O InChIKey InChI 1.03 c17669_2ldj GND 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 (1S)-4-carbamimidamido-1-carboxybutan-1-aminium 'SYSTEMATIC NAME' ACDLabs 10.04 c17669_2ldj GND [(2S)-5-carbamimidamido-1-hydroxy-1-oxo-pentan-2-yl]azanium 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c17669_2ldj GND 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 CA . CA . . C . . S 0 . . . . no no . . . . 56.100 . 0.107 . -2.538 . 1.495 1.476 2.040 1 . c17669_2ldj GND CB . CB . . C . . N 0 . . . . no no . . . . 56.860 . 1.174 . -3.327 . 2.375 0.247 2.292 2 . c17669_2ldj GND CG . CG . . C . . N 0 . . . . no no . . . . 58.341 . 1.091 . -2.993 . 1.615 -0.927 2.923 3 . c17669_2ldj GND CD . CD . . C . . N 0 . . . . no no . . . . 59.120 . 1.865 . -4.039 . 2.517 -2.129 3.197 4 . c17669_2ldj GND NE . NE . . N . . N 0 . . . . no no . . . . 60.419 . 2.204 . -3.408 . 1.763 -3.210 3.785 5 . c17669_2ldj GND CZ . CZ . . C . . N 0 . . . . no no . . . . 60.587 . 3.363 . -2.847 . 2.243 -4.445 4.168 6 . c17669_2ldj GND NH1 . NH1 . . N . . N 0 . . . . no no . . . . 61.767 . 3.711 . -2.417 . 1.454 -5.347 4.690 7 . c17669_2ldj GND NH2 . NH2 . . N . . N 0 . . . . no no . . . . 59.574 . 4.161 . -2.681 . 3.581 -4.681 3.974 8 . c17669_2ldj GND C . C . . C . . N 0 . . . . no no . . . . 54.619 . 0.477 . -2.418 . 0.371 1.146 1.081 9 . c17669_2ldj GND OXT . OXT . . O . . N 0 . . . . no yes . . . . 54.227 . 1.470 . -3.008 . 0.835 0.810 -0.151 10 . c17669_2ldj GND O . O . . O . . N 0 . . . . no no . . . . 53.904 . -0.240 . -1.739 . -0.820 1.171 1.360 11 . c17669_2ldj GND N . N . . N . . N 1 . . . . no no . . . . 56.255 . -1.144 . -3.334 . 0.923 1.950 3.335 12 . c17669_2ldj GND HA . HA . . H . . N 0 . . . . no no . . . . 56.542 . -0.011 . -1.561 . 2.067 2.322 1.645 13 . c17669_2ldj GND HB1 . HB1 . . H . . N 0 . . . . no no . . . . 56.492 . 2.153 . -3.064 . 2.805 -0.087 1.339 14 . c17669_2ldj GND HB2 . HB2 . . H . . N 0 . . . . no no . . . . 56.725 . 1.008 . -4.385 . 3.226 0.527 2.926 15 . c17669_2ldj GND HG1 . HG1 . . H . . N 0 . . . . no no . . . . 58.656 . 0.061 . -3.006 . 1.139 -0.611 3.859 16 . c17669_2ldj GND HG2 . HG2 . . H . . N 0 . . . . no no . . . . 58.516 . 1.520 . -2.022 . 0.815 -1.242 2.242 17 . c17669_2ldj GND HD1 . HD1 . . H . . N 0 . . . . no no . . . . 58.592 . 2.764 . -4.302 . 2.954 -2.477 2.256 18 . c17669_2ldj GND HD2 . HD2 . . H . . N 0 . . . . no no . . . . 59.277 . 1.249 . -4.903 . 3.343 -1.852 3.860 19 . c17669_2ldj GND HE . HE . . H . . N 0 . . . . no no . . . . 61.164 . 1.578 . -3.462 . 0.772 -3.031 3.926 20 . c17669_2ldj GND HH11 . HH11 . . H . . N 0 . . . . no no . . . . 62.540 . 3.089 . -2.525 . 0.506 -4.960 4.742 21 . c17669_2ldj GND HH21 . HH21 . . H . . N 0 . . . . no no . . . . 58.660 . 3.888 . -2.971 . 4.201 -3.988 3.571 22 . c17669_2ldj GND HH22 . HH22 . . H . . N 0 . . . . no no . . . . 59.713 . 5.057 . -2.259 . 3.998 -5.569 4.234 23 . c17669_2ldj GND HXT . HXT . . H . . N 0 . . . . no yes . . . . 53.308 . 1.699 . -2.933 . 0.143 0.587 -0.810 24 . c17669_2ldj GND HN1 . HN1 . . H . . N 0 . . . . no no . . . . 57.186 . -1.566 . -3.141 . 1.600 1.830 4.091 25 . c17669_2ldj GND HN2 . HN2 . . H . . N 0 . . . . no no . . . . 56.178 . -0.921 . -4.348 . 0.080 1.421 3.568 26 . c17669_2ldj GND HN3 . HN3 . . H . . N 0 . . . . no no . . . . 55.510 . -1.818 . -3.070 . 0.677 2.941 3.276 27 . c17669_2ldj GND 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 CA CB no N 1 . c17669_2ldj GND 2 . SING CA C no N 2 . c17669_2ldj GND 3 . SING CA N no N 3 . c17669_2ldj GND 4 . SING CA HA no N 4 . c17669_2ldj GND 5 . SING CB CG no N 5 . c17669_2ldj GND 6 . SING CB HB1 no N 6 . c17669_2ldj GND 7 . SING CB HB2 no N 7 . c17669_2ldj GND 8 . SING CG CD no N 8 . c17669_2ldj GND 9 . SING CG HG1 no N 9 . c17669_2ldj GND 10 . SING CG HG2 no N 10 . c17669_2ldj GND 11 . SING CD NE no N 11 . c17669_2ldj GND 12 . SING CD HD1 no N 12 . c17669_2ldj GND 13 . SING CD HD2 no N 13 . c17669_2ldj GND 14 . SING NE CZ no N 14 . c17669_2ldj GND 15 . SING NE HE no N 15 . c17669_2ldj GND 16 . DOUB CZ NH1 no N 16 . c17669_2ldj GND 17 . SING CZ NH2 no N 17 . c17669_2ldj GND 18 . SING NH1 HH11 no N 18 . c17669_2ldj GND 19 . SING NH2 HH21 no N 19 . c17669_2ldj GND 20 . SING NH2 HH22 no N 20 . c17669_2ldj GND 21 . SING C OXT no N 21 . c17669_2ldj GND 22 . DOUB C O no N 22 . c17669_2ldj GND 23 . SING OXT HXT no N 23 . c17669_2ldj GND 24 . SING N HN1 no N 24 . c17669_2ldj GND 25 . SING N HN2 no N 25 . c17669_2ldj GND 26 . SING N HN3 no N 26 . c17669_2ldj GND stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID c17669_2ldj _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'Trp-Cage mini-protein' 'natural abundance' . . 1 $Trp-Cage_mini-protein . . 2.5 . . mM . . . . c17669_2ldj 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . c17669_2ldj 1 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . c17669_2ldj 1 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c17669_2ldj _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'Trp-Cage mini-protein' 'natural abundance' . . . . . . 1.5 . . mM . . . . c17669_2ldj 2 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . c17669_2ldj 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . c17669_2ldj 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . c17669_2ldj 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c17669_2ldj _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 278 . K c17669_2ldj 1 pH 7 . pH c17669_2ldj 1 pressure 1 . atm c17669_2ldj 1 'ionic strength' 0.05 . M c17669_2ldj 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID c17669_2ldj _Software.ID 1 _Software.Name ARIA _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . c17669_2ldj 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' c17669_2ldj 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID c17669_2ldj _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . c17669_2ldj 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' c17669_2ldj 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID c17669_2ldj _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 c17669_2ldj _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . c17669_2ldj 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID c17669_2ldj _Experiment_list.ID 1 _Experiment_list.Details 'The structure was determined using NOE' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . c17669_2ldj 1 2 '2D 1H-1H TOCSY' no . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . c17669_2ldj 1 3 '2D 1H-13C HSQC' no . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . c17669_2ldj 1 4 '2D 1H-15N HSQC' no . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . c17669_2ldj 1 5 '2D 1H-13C HSQC' no . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . c17669_2ldj 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID c17669_2ldj _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . c17669_2ldj 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID c17669_2ldj _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . c17669_2ldj 1 2 '2D 1H-1H TOCSY' . . . c17669_2ldj 1 3 '2D 1H-13C HSQC' . . . c17669_2ldj 1 4 '2D 1H-15N HSQC' . . . c17669_2ldj 1 5 '2D 1H-13C HSQC' . . . c17669_2ldj 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASN HA H 1 4.316 0.005 . 1 . . . A 1 ASN HA . c17669_2ldj 1 2 . 1 1 1 1 ASN HB2 H 1 3.216 0.004 . 2 . . . A 1 ASN HB2 . c17669_2ldj 1 3 . 1 1 1 1 ASN HB3 H 1 3.024 0.008 . 2 . . . A 1 ASN HB3 . c17669_2ldj 1 4 . 1 1 1 1 ASN HD21 H 1 7.949 0.001 . 2 . . . A 1 ASN HD21 . c17669_2ldj 1 5 . 1 1 1 1 ASN HD22 H 1 7.3 0.002 . 2 . . . A 1 ASN HD22 . c17669_2ldj 1 6 . 1 1 2 2 LEU H H 1 9.086 0.001 . 1 . . . A 2 LEU H . c17669_2ldj 1 7 . 1 1 2 2 LEU HA H 1 4.194 0.005 . 1 . . . A 2 LEU HA . c17669_2ldj 1 8 . 1 1 2 2 LEU HB2 H 1 1.803 0.004 . 2 . . . A 2 LEU HB2 . c17669_2ldj 1 9 . 1 1 2 2 LEU HB3 H 1 1.437 0.002 . 2 . . . A 2 LEU HB3 . c17669_2ldj 1 10 . 1 1 2 2 LEU HG H 1 1.788 0.007 . 1 . . . A 2 LEU HG . c17669_2ldj 1 11 . 1 1 2 2 LEU HD11 H 1 0.948 0.002 . 2 . . . A 2 LEU HD11 . c17669_2ldj 1 12 . 1 1 2 2 LEU HD12 H 1 0.948 0.002 . 2 . . . A 2 LEU HD12 . c17669_2ldj 1 13 . 1 1 2 2 LEU HD13 H 1 0.948 0.002 . 2 . . . A 2 LEU HD13 . c17669_2ldj 1 14 . 1 1 2 2 LEU HD21 H 1 0.899 0.005 . 2 . . . A 2 LEU HD21 . c17669_2ldj 1 15 . 1 1 2 2 LEU HD22 H 1 0.899 0.005 . 2 . . . A 2 LEU HD22 . c17669_2ldj 1 16 . 1 1 2 2 LEU HD23 H 1 0.899 0.005 . 2 . . . A 2 LEU HD23 . c17669_2ldj 1 17 . 1 1 3 3 TYR H H 1 8.65 0.001 . 1 . . . A 3 TYR H . c17669_2ldj 1 18 . 1 1 3 3 TYR HA H 1 4.056 0.001 . 1 . . . A 3 TYR HA . c17669_2ldj 1 19 . 1 1 3 3 TYR HB2 H 1 3.096 0.001 . 2 . . . A 3 TYR HB2 . c17669_2ldj 1 20 . 1 1 3 3 TYR HB3 H 1 3.097 0.001 . 2 . . . A 3 TYR HB3 . c17669_2ldj 1 21 . 1 1 3 3 TYR HD1 H 1 6.991 0.003 . 3 . . . A 3 TYR HD1 . c17669_2ldj 1 22 . 1 1 3 3 TYR HD2 H 1 6.991 0.003 . 3 . . . A 3 TYR HD2 . c17669_2ldj 1 23 . 1 1 3 3 TYR HE1 H 1 6.784 0.011 . 3 . . . A 3 TYR HE1 . c17669_2ldj 1 24 . 1 1 3 3 TYR HE2 H 1 6.798 0.003 . 3 . . . A 3 TYR HE2 . c17669_2ldj 1 25 . 1 1 4 4 ILE H H 1 8.19 0.001 . 1 . . . A 4 ILE H . c17669_2ldj 1 26 . 1 1 4 4 ILE HA H 1 3.721 0.002 . 1 . . . A 4 ILE HA . c17669_2ldj 1 27 . 1 1 4 4 ILE HB H 1 1.965 0.003 . 1 . . . A 4 ILE HB . c17669_2ldj 1 28 . 1 1 4 4 ILE HG12 H 1 1.678 0.003 . 2 . . . A 4 ILE HG12 . c17669_2ldj 1 29 . 1 1 4 4 ILE HG13 H 1 1.433 0.003 . 2 . . . A 4 ILE HG13 . c17669_2ldj 1 30 . 1 1 4 4 ILE HG21 H 1 0.938 0.003 . 1 . . . A 4 ILE HG21 . c17669_2ldj 1 31 . 1 1 4 4 ILE HG22 H 1 0.938 0.003 . 1 . . . A 4 ILE HG22 . c17669_2ldj 1 32 . 1 1 4 4 ILE HG23 H 1 0.938 0.003 . 1 . . . A 4 ILE HG23 . c17669_2ldj 1 33 . 1 1 4 4 ILE HD11 H 1 0.905 0.005 . 1 . . . A 4 ILE HD11 . c17669_2ldj 1 34 . 1 1 4 4 ILE HD12 H 1 0.905 0.005 . 1 . . . A 4 ILE HD12 . c17669_2ldj 1 35 . 1 1 4 4 ILE HD13 H 1 0.905 0.005 . 1 . . . A 4 ILE HD13 . c17669_2ldj 1 36 . 1 1 5 5 GLN H H 1 7.877 0.001 . 1 . . . A 5 GLN H . c17669_2ldj 1 37 . 1 1 5 5 GLN HA H 1 3.871 0.002 . 1 . . . A 5 GLN HA . c17669_2ldj 1 38 . 1 1 5 5 GLN HB2 H 1 2.062 0.002 . 2 . . . A 5 GLN HB2 . c17669_2ldj 1 39 . 1 1 5 5 GLN HB3 H 1 2.181 0.002 . 2 . . . A 5 GLN HB3 . c17669_2ldj 1 40 . 1 1 5 5 GLN HG2 H 1 2.398 0.001 . 2 . . . A 5 GLN HG2 . c17669_2ldj 1 41 . 1 1 5 5 GLN HG3 H 1 2.398 0.001 . 2 . . . A 5 GLN HG3 . c17669_2ldj 1 42 . 1 1 5 5 GLN HE21 H 1 7.785 0.001 . 2 . . . A 5 GLN HE21 . c17669_2ldj 1 43 . 1 1 5 5 GLN HE22 H 1 7.043 0.001 . 2 . . . A 5 GLN HE22 . c17669_2ldj 1 44 . 1 1 6 6 TRP H H 1 8.045 0.001 . 1 . . . A 6 TRP H . c17669_2ldj 1 45 . 1 1 6 6 TRP HA H 1 4.186 0.005 . 1 . . . A 6 TRP HA . c17669_2ldj 1 46 . 1 1 6 6 TRP HB2 H 1 3.118 0.003 . 2 . . . A 6 TRP HB2 . c17669_2ldj 1 47 . 1 1 6 6 TRP HB3 H 1 3.554 0.005 . 2 . . . A 6 TRP HB3 . c17669_2ldj 1 48 . 1 1 6 6 TRP HD1 H 1 6.954 0.001 . 1 . . . A 6 TRP HD1 . c17669_2ldj 1 49 . 1 1 6 6 TRP HE1 H 1 9.67 0.001 . 1 . . . A 6 TRP HE1 . c17669_2ldj 1 50 . 1 1 6 6 TRP HE3 H 1 7.03 0.004 . 1 . . . A 6 TRP HE3 . c17669_2ldj 1 51 . 1 1 6 6 TRP HZ2 H 1 7.146 0.004 . 1 . . . A 6 TRP HZ2 . c17669_2ldj 1 52 . 1 1 6 6 TRP HZ3 H 1 7.1 0.002 . 1 . . . A 6 TRP HZ3 . c17669_2ldj 1 53 . 1 1 6 6 TRP HH2 H 1 7.18 0.003 . 1 . . . A 6 TRP HH2 . c17669_2ldj 1 54 . 1 1 7 7 LEU H H 1 8.329 0.001 . 1 . . . A 7 LEU H . c17669_2ldj 1 55 . 1 1 7 7 LEU HA H 1 3.323 0.001 . 1 . . . A 7 LEU HA . c17669_2ldj 1 56 . 1 1 7 7 LEU HB2 H 1 1.917 0.004 . 2 . . . A 7 LEU HB2 . c17669_2ldj 1 57 . 1 1 7 7 LEU HB3 H 1 1.294 0.002 . 2 . . . A 7 LEU HB3 . c17669_2ldj 1 58 . 1 1 7 7 LEU HG H 1 1.559 0.002 . 1 . . . A 7 LEU HG . c17669_2ldj 1 59 . 1 1 7 7 LEU HD11 H 1 0.906 0.001 . 2 . . . A 7 LEU HD11 . c17669_2ldj 1 60 . 1 1 7 7 LEU HD12 H 1 0.906 0.001 . 2 . . . A 7 LEU HD12 . c17669_2ldj 1 61 . 1 1 7 7 LEU HD13 H 1 0.906 0.001 . 2 . . . A 7 LEU HD13 . c17669_2ldj 1 62 . 1 1 7 7 LEU HD21 H 1 0.816 0.002 . 2 . . . A 7 LEU HD21 . c17669_2ldj 1 63 . 1 1 7 7 LEU HD22 H 1 0.816 0.002 . 2 . . . A 7 LEU HD22 . c17669_2ldj 1 64 . 1 1 7 7 LEU HD23 H 1 0.816 0.002 . 2 . . . A 7 LEU HD23 . c17669_2ldj 1 65 . 1 1 8 8 LYS H H 1 8.294 0.001 . 1 . . . A 8 LYS H . c17669_2ldj 1 66 . 1 1 8 8 LYS HA H 1 3.879 0.002 . 1 . . . A 8 LYS HA . c17669_2ldj 1 67 . 1 1 8 8 LYS HB2 H 1 1.892 0.003 . 2 . . . A 8 LYS HB2 . c17669_2ldj 1 68 . 1 1 8 8 LYS HB3 H 1 1.897 0.001 . 2 . . . A 8 LYS HB3 . c17669_2ldj 1 69 . 1 1 8 8 LYS HG2 H 1 1.513 0.005 . 2 . . . A 8 LYS HG2 . c17669_2ldj 1 70 . 1 1 8 8 LYS HG3 H 1 1.412 0.003 . 2 . . . A 8 LYS HG3 . c17669_2ldj 1 71 . 1 1 8 8 LYS HD2 H 1 1.598 0.007 . 2 . . . A 8 LYS HD2 . c17669_2ldj 1 72 . 1 1 8 8 LYS HD3 H 1 1.598 0.007 . 2 . . . A 8 LYS HD3 . c17669_2ldj 1 73 . 1 1 8 8 LYS HE2 H 1 2.902 0.006 . 2 . . . A 8 LYS HE2 . c17669_2ldj 1 74 . 1 1 8 8 LYS HE3 H 1 2.904 0.001 . 2 . . . A 8 LYS HE3 . c17669_2ldj 1 75 . 1 1 8 8 LYS HZ1 H 1 7.589 0.001 . 1 . . . A 8 LYS HZ1 . c17669_2ldj 1 76 . 1 1 8 8 LYS HZ2 H 1 7.589 0.001 . 1 . . . A 8 LYS HZ2 . c17669_2ldj 1 77 . 1 1 8 8 LYS HZ3 H 1 7.589 0.001 . 1 . . . A 8 LYS HZ3 . c17669_2ldj 1 78 . 1 1 9 9 ASP H H 1 8.001 0.001 . 1 . . . A 9 ASP H . c17669_2ldj 1 79 . 1 1 9 9 ASP HA H 1 4.506 0.002 . 1 . . . A 9 ASP HA . c17669_2ldj 1 80 . 1 1 9 9 ASP HB2 H 1 2.921 0.014 . 2 . . . A 9 ASP HB2 . c17669_2ldj 1 81 . 1 1 9 9 ASP HB3 H 1 2.772 0.004 . 2 . . . A 9 ASP HB3 . c17669_2ldj 1 82 . 1 1 10 10 GND HA H 1 4.144 0.002 . 1 . . . A 10 GND HA . c17669_2ldj 1 83 . 1 1 10 10 GND HB2 H 1 1.62 0.003 . 2 . . . . 10 GND HB3 . c17669_2ldj 1 84 . 1 1 10 10 GND HB1 H 1 2.204 0.005 . 2 . . . A 10 GND HB2 . c17669_2ldj 1 85 . 1 1 10 10 GND HG2 H 1 2.092 0.003 . 2 . . . . 10 GND HG3 . c17669_2ldj 1 86 . 1 1 10 10 GND HH21 H 1 7.472 0.001 . 2 . . . A 10 GND HE21 . c17669_2ldj 1 87 . 1 1 10 10 GND HN1 H 1 7.314 0.001 . 1 . . . . 10 GND NH . c17669_2ldj 1 88 . 1 1 10 10 GND HN2 H 1 7.314 0.001 . 1 . . . . 10 GND NH . c17669_2ldj 1 89 . 1 1 10 10 GND HN3 H 1 7.314 0.001 . 1 . . . . 10 GND NH . c17669_2ldj 1 90 . 1 1 10 10 GND HH22 H 1 6.773 0.002 . 2 . . . A 10 GND HE22 . c17669_2ldj 1 91 . 1 1 10 10 GND HG1 H 1 2.212 0.003 . 2 . . . A 10 GND HG2 . c17669_2ldj 1 92 . 1 1 11 11 GLY H H 1 8.51 0.001 . 1 . . . A 11 GLY H . c17669_2ldj 1 93 . 1 1 11 11 GLY HA2 H 1 0.631 0.004 . 2 . . . A 11 GLY HA2 . c17669_2ldj 1 94 . 1 1 11 11 GLY HA3 H 1 3.113 0.003 . 2 . . . A 11 GLY HA3 . c17669_2ldj 1 95 . 1 1 12 12 PRO HA H 1 4.623 0.003 . 1 . . . A 12 PRO HA . c17669_2ldj 1 96 . 1 1 12 12 PRO HB2 H 1 2.043 0.003 . 2 . . . A 12 PRO HB2 . c17669_2ldj 1 97 . 1 1 12 12 PRO HB3 H 1 2.493 0.003 . 2 . . . A 12 PRO HB3 . c17669_2ldj 1 98 . 1 1 12 12 PRO HG2 H 1 2.145 0.001 . 2 . . . A 12 PRO HG2 . c17669_2ldj 1 99 . 1 1 12 12 PRO HG3 H 1 2.145 0.001 . 2 . . . A 12 PRO HG3 . c17669_2ldj 1 100 . 1 1 12 12 PRO HD2 H 1 3.787 0.002 . 2 . . . A 12 PRO HD2 . c17669_2ldj 1 101 . 1 1 12 12 PRO HD3 H 1 3.481 0.001 . 2 . . . A 12 PRO HD3 . c17669_2ldj 1 102 . 1 1 13 13 SER H H 1 7.708 0.001 . 1 . . . A 13 SER H . c17669_2ldj 1 103 . 1 1 13 13 SER HA H 1 4.44 0.007 . 1 . . . A 13 SER HA . c17669_2ldj 1 104 . 1 1 13 13 SER HB2 H 1 3.866 0.001 . 2 . . . A 13 SER HB2 . c17669_2ldj 1 105 . 1 1 13 13 SER HB3 H 1 3.912 0.003 . 2 . . . A 13 SER HB3 . c17669_2ldj 1 106 . 1 1 14 14 SER H H 1 8.193 0.001 . 1 . . . A 14 SER H . c17669_2ldj 1 107 . 1 1 14 14 SER HA H 1 4.064 0.005 . 1 . . . A 14 SER HA . c17669_2ldj 1 108 . 1 1 14 14 SER HB2 H 1 3.383 0.004 . 2 . . . A 14 SER HB2 . c17669_2ldj 1 109 . 1 1 14 14 SER HB3 H 1 3.782 0.003 . 2 . . . A 14 SER HB3 . c17669_2ldj 1 110 . 1 1 15 15 GLY H H 1 7.943 0.001 . 1 . . . A 15 GLY H . c17669_2ldj 1 111 . 1 1 15 15 GLY HA2 H 1 3.757 0.001 . 2 . . . A 15 GLY HA2 . c17669_2ldj 1 112 . 1 1 15 15 GLY HA3 H 1 4.236 0.001 . 2 . . . A 15 GLY HA3 . c17669_2ldj 1 113 . 1 1 16 16 ARG H H 1 8.097 0.001 . 1 . . . A 16 ARG H . c17669_2ldj 1 114 . 1 1 16 16 ARG HB2 H 1 1.838 0.005 . 2 . . . A 16 ARG HB2 . c17669_2ldj 1 115 . 1 1 16 16 ARG HB3 H 1 1.611 0.001 . 2 . . . A 16 ARG HB3 . c17669_2ldj 1 116 . 1 1 16 16 ARG HG2 H 1 1.769 0.006 . 2 . . . A 16 ARG HG2 . c17669_2ldj 1 117 . 1 1 16 16 ARG HG3 H 1 1.74 0.005 . 2 . . . A 16 ARG HG3 . c17669_2ldj 1 118 . 1 1 16 16 ARG HD2 H 1 3.185 0.005 . 2 . . . A 16 ARG HD2 . c17669_2ldj 1 119 . 1 1 16 16 ARG HD3 H 1 3.255 0.002 . 2 . . . A 16 ARG HD3 . c17669_2ldj 1 120 . 1 1 16 16 ARG HE H 1 7.647 0.001 . 1 . . . A 16 ARG HE . c17669_2ldj 1 121 . 1 1 17 17 PRO HA H 1 4.705 0.001 . 1 . . . A 17 PRO HA . c17669_2ldj 1 122 . 1 1 17 17 PRO HB2 H 1 1.744 0.009 . 2 . . . A 17 PRO HB2 . c17669_2ldj 1 123 . 1 1 17 17 PRO HB3 H 1 2.282 0.006 . 2 . . . A 17 PRO HB3 . c17669_2ldj 1 124 . 1 1 17 17 PRO HG2 H 1 1.963 0.003 . 2 . . . A 17 PRO HG2 . c17669_2ldj 1 125 . 1 1 17 17 PRO HG3 H 1 1.963 0.003 . 2 . . . A 17 PRO HG3 . c17669_2ldj 1 126 . 1 1 17 17 PRO HD2 H 1 3.623 0.001 . 2 . . . A 17 PRO HD2 . c17669_2ldj 1 127 . 1 1 17 17 PRO HD3 H 1 3.818 0.004 . 2 . . . A 17 PRO HD3 . c17669_2ldj 1 128 . 1 1 18 18 PRO HA H 1 2.437 0.002 . 1 . . . A 18 PRO HA . c17669_2ldj 1 129 . 1 1 18 18 PRO HB2 H 1 1.278 0.001 . 2 . . . A 18 PRO HB2 . c17669_2ldj 1 130 . 1 1 18 18 PRO HB3 H 1 0.291 0.003 . 2 . . . A 18 PRO HB3 . c17669_2ldj 1 131 . 1 1 18 18 PRO HG2 H 1 1.693 0.001 . 2 . . . A 18 PRO HG2 . c17669_2ldj 1 132 . 1 1 18 18 PRO HG3 H 1 1.646 0.003 . 2 . . . A 18 PRO HG3 . c17669_2ldj 1 133 . 1 1 18 18 PRO HD2 H 1 3.482 0.004 . 2 . . . A 18 PRO HD2 . c17669_2ldj 1 134 . 1 1 18 18 PRO HD3 H 1 3.473 0.003 . 2 . . . A 18 PRO HD3 . c17669_2ldj 1 135 . 1 1 19 19 PRO HA H 1 4.309 0.005 . 1 . . . A 19 PRO HA . c17669_2ldj 1 136 . 1 1 19 19 PRO HB2 H 1 1.951 0.007 . 2 . . . A 19 PRO HB2 . c17669_2ldj 1 137 . 1 1 19 19 PRO HB3 H 1 2.179 0.003 . 2 . . . A 19 PRO HB3 . c17669_2ldj 1 138 . 1 1 19 19 PRO HG2 H 1 1.749 0.003 . 2 . . . A 19 PRO HG2 . c17669_2ldj 1 139 . 1 1 19 19 PRO HG3 H 1 1.81 0.004 . 2 . . . A 19 PRO HG3 . c17669_2ldj 1 140 . 1 1 19 19 PRO HD2 H 1 2.913 0.004 . 2 . . . A 19 PRO HD2 . c17669_2ldj 1 141 . 1 1 19 19 PRO HD3 H 1 3.103 0.004 . 2 . . . A 19 PRO HD3 . c17669_2ldj 1 142 . 1 1 20 20 SER H H 1 8.031 0.004 . 1 . . . A 20 SER H . c17669_2ldj 1 143 . 1 1 20 20 SER HA H 1 4.157 0.004 . 1 . . . A 20 SER HA . c17669_2ldj 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c17669_2ldj _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 1 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c17669_2ldj _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 . . . c17669_2ldj 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 . . . . c17669_2ldj 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 ASN C C 8.650 -1.956 0.594 . . . 1.0 . . . . . . . . . . . . A . 1 ASN C . . . . . . . . . c17669_2ldj 1 . 1 . 2 . 1 1 1 ASN CA C 9.640 -2.330 -0.500 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CA . . . . . . . . . c17669_2ldj 1 . 1 . 3 . 1 1 1 ASN CB C 9.530 -3.822 -0.806 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CB . . . . . . . . . c17669_2ldj 1 . 1 . 4 . 1 1 1 ASN CG C 9.579 -4.110 -2.291 . . . 1.0 . . . . . . . . . . . . A . 1 ASN CG . . . . . . . . . c17669_2ldj 1 . 1 . 5 . 1 1 1 ASN H1 H 11.292 -2.506 0.759 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H1 . . . . . . . . . c17669_2ldj 1 . 1 . 6 . 1 1 1 ASN H2 H 11.110 -0.969 0.077 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H2 . . . . . . . . . c17669_2ldj 1 . 1 . 7 . 1 1 1 ASN H3 H 11.691 -2.247 -0.865 . . . 1.0 . . . . . . . . . . . . A . 1 ASN H3 . . . . . . . . . c17669_2ldj 1 . 1 . 8 . 1 1 1 ASN HA H 9.397 -1.770 -1.392 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HA . . . . . . . . . c17669_2ldj 1 . 1 . 9 . 1 1 1 ASN HB2 H 10.348 -4.342 -0.330 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HB2 . . . . . . . . . c17669_2ldj 1 . 1 . 10 . 1 1 1 ASN HB3 H 8.596 -4.196 -0.414 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HB3 . . . . . . . . . c17669_2ldj 1 . 1 . 11 . 1 1 1 ASN HD21 H 10.392 -5.889 -1.943 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HD21 . . . . . . . . . c17669_2ldj 1 . 1 . 12 . 1 1 1 ASN HD22 H 10.128 -5.496 -3.604 . . . 1.0 . . . . . . . . . . . . A . 1 ASN HD22 . . . . . . . . . c17669_2ldj 1 . 1 . 13 . 1 1 1 ASN N N 11.030 -1.989 -0.105 . . . 1.0 . . . . . . . . . . . . A . 1 ASN N . . . . . . . . . c17669_2ldj 1 . 1 . 14 . 1 1 1 ASN ND2 N 10.084 -5.283 -2.649 . . . 1.0 . . . . . . . . . . . . A . 1 ASN ND2 . . . . . . . . . c17669_2ldj 1 . 1 . 15 . 1 1 1 ASN O O 8.185 -2.812 1.345 . . . 1.0 . . . . . . . . . . . . A . 1 ASN O . . . . . . . . . c17669_2ldj 1 . 1 . 16 . 1 1 1 ASN OD1 O 9.165 -3.288 -3.108 . . . 1.0 . . . . . . . . . . . . A . 1 ASN OD1 . . . . . . . . . c17669_2ldj 1 . 1 . 17 . 1 1 2 LEU C C 5.986 -0.108 1.097 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . c17669_2ldj 1 . 1 . 18 . 1 1 2 LEU CA C 7.390 -0.191 1.679 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . c17669_2ldj 1 . 1 . 19 . 1 1 2 LEU CB C 7.829 1.178 2.202 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . c17669_2ldj 1 . 1 . 20 . 1 1 2 LEU CD1 C 7.304 2.595 0.192 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . c17669_2ldj 1 . 1 . 21 . 1 1 2 LEU CD2 C 9.051 3.329 1.817 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . c17669_2ldj 1 . 1 . 22 . 1 1 2 LEU CG C 8.393 2.135 1.148 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . c17669_2ldj 1 . 1 . 23 . 1 1 2 LEU H H 8.734 -0.037 0.053 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . c17669_2ldj 1 . 1 . 24 . 1 1 2 LEU HA H 7.386 -0.896 2.497 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . c17669_2ldj 1 . 1 . 25 . 1 1 2 LEU HB2 H 6.977 1.652 2.668 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . c17669_2ldj 1 . 1 . 26 . 1 1 2 LEU HB3 H 8.587 1.024 2.956 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . c17669_2ldj 1 . 1 . 27 . 1 1 2 LEU HD11 H 7.723 3.286 -0.524 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . c17669_2ldj 1 . 1 . 28 . 1 1 2 LEU HD12 H 6.519 3.085 0.749 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . c17669_2ldj 1 . 1 . 29 . 1 1 2 LEU HD13 H 6.897 1.741 -0.329 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . c17669_2ldj 1 . 1 . 30 . 1 1 2 LEU HD21 H 9.846 2.987 2.464 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . c17669_2ldj 1 . 1 . 31 . 1 1 2 LEU HD22 H 8.317 3.865 2.401 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . c17669_2ldj 1 . 1 . 32 . 1 1 2 LEU HD23 H 9.459 3.986 1.063 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . c17669_2ldj 1 . 1 . 33 . 1 1 2 LEU HG H 9.146 1.619 0.570 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . c17669_2ldj 1 . 1 . 34 . 1 1 2 LEU N N 8.330 -0.674 0.679 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . c17669_2ldj 1 . 1 . 35 . 1 1 2 LEU O O 5.051 0.337 1.761 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . c17669_2ldj 1 . 1 . 36 . 1 1 3 TYR C C 3.929 -1.897 -0.879 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . c17669_2ldj 1 . 1 . 37 . 1 1 3 TYR CA C 4.569 -0.516 -0.837 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . c17669_2ldj 1 . 1 . 38 . 1 1 3 TYR CB C 4.760 0.009 -2.258 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . c17669_2ldj 1 . 1 . 39 . 1 1 3 TYR CD1 C 4.195 2.392 -1.634 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . c17669_2ldj 1 . 1 . 40 . 1 1 3 TYR CD2 C 3.307 1.511 -3.663 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . c17669_2ldj 1 . 1 . 41 . 1 1 3 TYR CE1 C 3.570 3.598 -1.880 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . c17669_2ldj 1 . 1 . 42 . 1 1 3 TYR CE2 C 2.679 2.714 -3.915 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . c17669_2ldj 1 . 1 . 43 . 1 1 3 TYR CG C 4.073 1.329 -2.521 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . c17669_2ldj 1 . 1 . 44 . 1 1 3 TYR CZ C 2.814 3.754 -3.021 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . c17669_2ldj 1 . 1 . 45 . 1 1 3 TYR H H 6.636 -0.898 -0.617 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . c17669_2ldj 1 . 1 . 46 . 1 1 3 TYR HA H 3.917 0.155 -0.299 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . c17669_2ldj 1 . 1 . 47 . 1 1 3 TYR HB2 H 5.814 0.144 -2.446 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . c17669_2ldj 1 . 1 . 48 . 1 1 3 TYR HB3 H 4.366 -0.715 -2.957 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . c17669_2ldj 1 . 1 . 49 . 1 1 3 TYR HD1 H 4.788 2.266 -0.741 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . c17669_2ldj 1 . 1 . 50 . 1 1 3 TYR HD2 H 3.203 0.693 -4.361 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . c17669_2ldj 1 . 1 . 51 . 1 1 3 TYR HE1 H 3.677 4.414 -1.180 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . c17669_2ldj 1 . 1 . 52 . 1 1 3 TYR HE2 H 2.086 2.836 -4.809 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . c17669_2ldj 1 . 1 . 53 . 1 1 3 TYR HH H 1.303 4.792 -3.597 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . c17669_2ldj 1 . 1 . 54 . 1 1 3 TYR N N 5.851 -0.545 -0.148 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . c17669_2ldj 1 . 1 . 55 . 1 1 3 TYR O O 2.724 -2.024 -1.094 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . c17669_2ldj 1 . 1 . 56 . 1 1 3 TYR OH O 2.191 4.953 -3.271 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . c17669_2ldj 1 . 1 . 57 . 1 1 4 ILE C C 3.177 -4.512 0.368 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c17669_2ldj 1 . 1 . 58 . 1 1 4 ILE CA C 4.246 -4.302 -0.698 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c17669_2ldj 1 . 1 . 59 . 1 1 4 ILE CB C 5.388 -5.314 -0.484 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c17669_2ldj 1 . 1 . 60 . 1 1 4 ILE CD1 C 5.981 -5.281 -2.971 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c17669_2ldj 1 . 1 . 61 . 1 1 4 ILE CG1 C 6.475 -5.125 -1.546 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c17669_2ldj 1 . 1 . 62 . 1 1 4 ILE CG2 C 4.853 -6.740 -0.510 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c17669_2ldj 1 . 1 . 63 . 1 1 4 ILE H H 5.692 -2.766 -0.512 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c17669_2ldj 1 . 1 . 64 . 1 1 4 ILE HA H 3.809 -4.483 -1.670 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c17669_2ldj 1 . 1 . 65 . 1 1 4 ILE HB H 5.815 -5.137 0.492 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c17669_2ldj 1 . 1 . 66 . 1 1 4 ILE HD11 H 5.231 -4.532 -3.175 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c17669_2ldj 1 . 1 . 67 . 1 1 4 ILE HD12 H 5.552 -6.264 -3.098 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c17669_2ldj 1 . 1 . 68 . 1 1 4 ILE HD13 H 6.809 -5.158 -3.654 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c17669_2ldj 1 . 1 . 69 . 1 1 4 ILE HG12 H 6.891 -4.134 -1.450 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c17669_2ldj 1 . 1 . 70 . 1 1 4 ILE HG13 H 7.256 -5.854 -1.384 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c17669_2ldj 1 . 1 . 71 . 1 1 4 ILE HG21 H 4.375 -6.927 -1.461 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c17669_2ldj 1 . 1 . 72 . 1 1 4 ILE HG22 H 4.134 -6.870 0.285 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c17669_2ldj 1 . 1 . 73 . 1 1 4 ILE HG23 H 5.669 -7.433 -0.375 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c17669_2ldj 1 . 1 . 74 . 1 1 4 ILE N N 4.740 -2.930 -0.678 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c17669_2ldj 1 . 1 . 75 . 1 1 4 ILE O O 2.077 -4.981 0.073 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c17669_2ldj 1 . 1 . 76 . 1 1 5 GLN C C 1.452 -3.274 2.601 . . . 1.0 . . . . . . . . . . . . A . 5 GLN C . . . . . . . . . c17669_2ldj 1 . 1 . 77 . 1 1 5 GLN CA C 2.571 -4.304 2.714 . . . 1.0 . . . . . . . . . . . . A . 5 GLN CA . . . . . . . . . c17669_2ldj 1 . 1 . 78 . 1 1 5 GLN CB C 3.304 -4.155 4.048 . . . 1.0 . . . . . . . . . . . . A . 5 GLN CB . . . . . . . . . c17669_2ldj 1 . 1 . 79 . 1 1 5 GLN CD C 5.130 -2.947 5.304 . . . 1.0 . . . . . . . . . . . . A . 5 GLN CD . . . . . . . . . c17669_2ldj 1 . 1 . 80 . 1 1 5 GLN CG C 4.169 -2.910 4.132 . . . 1.0 . . . . . . . . . . . . A . 5 GLN CG . . . . . . . . . c17669_2ldj 1 . 1 . 81 . 1 1 5 GLN H H 4.401 -3.799 1.778 . . . 1.0 . . . . . . . . . . . . A . 5 GLN H . . . . . . . . . c17669_2ldj 1 . 1 . 82 . 1 1 5 GLN HA H 2.140 -5.293 2.658 . . . 1.0 . . . . . . . . . . . . A . 5 GLN HA . . . . . . . . . c17669_2ldj 1 . 1 . 83 . 1 1 5 GLN HB2 H 2.575 -4.115 4.844 . . . 1.0 . . . . . . . . . . . . A . 5 GLN HB2 . . . . . . . . . c17669_2ldj 1 . 1 . 84 . 1 1 5 GLN HB3 H 3.937 -5.018 4.195 . . . 1.0 . . . . . . . . . . . . A . 5 GLN HB3 . . . . . . . . . c17669_2ldj 1 . 1 . 85 . 1 1 5 GLN HE21 H 3.759 -2.126 6.487 . . . 1.0 . . . . . . . . . . . . A . 5 GLN HE21 . . . . . . . . . c17669_2ldj 1 . 1 . 86 . 1 1 5 GLN HE22 H 5.277 -2.484 7.231 . . . 1.0 . . . . . . . . . . . . A . 5 GLN HE22 . . . . . . . . . c17669_2ldj 1 . 1 . 87 . 1 1 5 GLN HG2 H 4.741 -2.822 3.220 . . . 1.0 . . . . . . . . . . . . A . 5 GLN HG2 . . . . . . . . . c17669_2ldj 1 . 1 . 88 . 1 1 5 GLN HG3 H 3.528 -2.047 4.238 . . . 1.0 . . . . . . . . . . . . A . 5 GLN HG3 . . . . . . . . . c17669_2ldj 1 . 1 . 89 . 1 1 5 GLN N N 3.507 -4.162 1.606 . . . 1.0 . . . . . . . . . . . . A . 5 GLN N . . . . . . . . . c17669_2ldj 1 . 1 . 90 . 1 1 5 GLN NE2 N 4.676 -2.471 6.457 . . . 1.0 . . . . . . . . . . . . A . 5 GLN NE2 . . . . . . . . . c17669_2ldj 1 . 1 . 91 . 1 1 5 GLN O O 0.524 -3.252 3.409 . . . 1.0 . . . . . . . . . . . . A . 5 GLN O . . . . . . . . . c17669_2ldj 1 . 1 . 92 . 1 1 5 GLN OE1 O 6.265 -3.403 5.176 . . . 1.0 . . . . . . . . . . . . A . 5 GLN OE1 . . . . . . . . . c17669_2ldj 1 . 1 . 93 . 1 1 6 TRP C C -0.391 -1.823 0.226 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . c17669_2ldj 1 . 1 . 94 . 1 1 6 TRP CA C 0.560 -1.387 1.338 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . c17669_2ldj 1 . 1 . 95 . 1 1 6 TRP CB C 1.264 -0.078 0.964 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . c17669_2ldj 1 . 1 . 96 . 1 1 6 TRP CD1 C -0.273 1.931 1.382 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . c17669_2ldj 1 . 1 . 97 . 1 1 6 TRP CD2 C -0.082 1.347 -0.770 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . c17669_2ldj 1 . 1 . 98 . 1 1 6 TRP CE2 C -0.943 2.456 -0.683 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . c17669_2ldj 1 . 1 . 99 . 1 1 6 TRP CE3 C 0.190 0.801 -2.028 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . c17669_2ldj 1 . 1 . 100 . 1 1 6 TRP CG C 0.335 1.026 0.560 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . c17669_2ldj 1 . 1 . 101 . 1 1 6 TRP CH2 C -1.248 2.477 -3.024 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . c17669_2ldj 1 . 1 . 102 . 1 1 6 TRP CZ2 C -1.533 3.030 -1.806 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . c17669_2ldj 1 . 1 . 103 . 1 1 6 TRP CZ3 C -0.396 1.372 -3.141 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . c17669_2ldj 1 . 1 . 104 . 1 1 6 TRP H H 2.323 -2.493 0.983 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . c17669_2ldj 1 . 1 . 105 . 1 1 6 TRP HA H -0.004 -1.240 2.247 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . c17669_2ldj 1 . 1 . 106 . 1 1 6 TRP HB2 H 1.836 0.267 1.812 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB2 . . . . . . . . . c17669_2ldj 1 . 1 . 107 . 1 1 6 TRP HB3 H 1.936 -0.265 0.139 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . c17669_2ldj 1 . 1 . 108 . 1 1 6 TRP HD1 H -0.157 1.953 2.455 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . c17669_2ldj 1 . 1 . 109 . 1 1 6 TRP HE1 H -1.578 3.533 1.002 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . c17669_2ldj 1 . 1 . 110 . 1 1 6 TRP HE3 H 0.844 -0.051 -2.138 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . c17669_2ldj 1 . 1 . 111 . 1 1 6 TRP HH2 H -1.685 2.889 -3.921 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . c17669_2ldj 1 . 1 . 112 . 1 1 6 TRP HZ2 H -2.191 3.883 -1.733 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . c17669_2ldj 1 . 1 . 113 . 1 1 6 TRP HZ3 H -0.198 0.964 -4.121 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . c17669_2ldj 1 . 1 . 114 . 1 1 6 TRP N N 1.554 -2.423 1.586 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . c17669_2ldj 1 . 1 . 115 . 1 1 6 TRP NE1 N -1.044 2.795 0.641 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . c17669_2ldj 1 . 1 . 116 . 1 1 6 TRP O O -1.525 -1.351 0.142 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . c17669_2ldj 1 . 1 . 117 . 1 1 7 LEU C C -1.604 -4.404 -1.280 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . c17669_2ldj 1 . 1 . 118 . 1 1 7 LEU CA C -0.717 -3.248 -1.729 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . c17669_2ldj 1 . 1 . 119 . 1 1 7 LEU CB C 0.192 -3.718 -2.868 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . c17669_2ldj 1 . 1 . 120 . 1 1 7 LEU CD1 C 1.902 -3.190 -4.620 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . c17669_2ldj 1 . 1 . 121 . 1 1 7 LEU CD2 C -0.171 -1.808 -4.448 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . c17669_2ldj 1 . 1 . 122 . 1 1 7 LEU CG C 0.866 -2.606 -3.673 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . c17669_2ldj 1 . 1 . 123 . 1 1 7 LEU H H 0.992 -3.075 -0.493 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . c17669_2ldj 1 . 1 . 124 . 1 1 7 LEU HA H -1.344 -2.445 -2.088 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . c17669_2ldj 1 . 1 . 125 . 1 1 7 LEU HB2 H 0.964 -4.345 -2.445 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . c17669_2ldj 1 . 1 . 126 . 1 1 7 LEU HB3 H -0.399 -4.314 -3.547 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . c17669_2ldj 1 . 1 . 127 . 1 1 7 LEU HD11 H 2.380 -2.391 -5.168 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . c17669_2ldj 1 . 1 . 128 . 1 1 7 LEU HD12 H 1.417 -3.861 -5.314 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . c17669_2ldj 1 . 1 . 129 . 1 1 7 LEU HD13 H 2.644 -3.733 -4.053 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . c17669_2ldj 1 . 1 . 130 . 1 1 7 LEU HD21 H -0.874 -1.365 -3.758 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . c17669_2ldj 1 . 1 . 131 . 1 1 7 LEU HD22 H -0.697 -2.463 -5.126 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . c17669_2ldj 1 . 1 . 132 . 1 1 7 LEU HD23 H 0.321 -1.028 -5.010 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . c17669_2ldj 1 . 1 . 133 . 1 1 7 LEU HG H 1.372 -1.934 -2.995 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . c17669_2ldj 1 . 1 . 134 . 1 1 7 LEU N N 0.081 -2.736 -0.620 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . c17669_2ldj 1 . 1 . 135 . 1 1 7 LEU O O -2.666 -4.645 -1.854 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . c17669_2ldj 1 . 1 . 136 . 1 1 8 LYS C C -2.992 -5.814 1.240 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . c17669_2ldj 1 . 1 . 137 . 1 1 8 LYS CA C -1.903 -6.258 0.270 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . c17669_2ldj 1 . 1 . 138 . 1 1 8 LYS CB C -0.954 -7.227 0.979 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . c17669_2ldj 1 . 1 . 139 . 1 1 8 LYS CD C 0.460 -7.608 3.033 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . c17669_2ldj 1 . 1 . 140 . 1 1 8 LYS CE C 1.632 -8.329 2.384 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . c17669_2ldj 1 . 1 . 141 . 1 1 8 LYS CG C -0.159 -6.577 2.101 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . c17669_2ldj 1 . 1 . 142 . 1 1 8 LYS H H -0.306 -4.873 0.166 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . c17669_2ldj 1 . 1 . 143 . 1 1 8 LYS HA H -2.362 -6.766 -0.564 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . c17669_2ldj 1 . 1 . 144 . 1 1 8 LYS HB2 H -1.531 -8.038 1.398 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . c17669_2ldj 1 . 1 . 145 . 1 1 8 LYS HB3 H -0.258 -7.626 0.257 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . c17669_2ldj 1 . 1 . 146 . 1 1 8 LYS HD2 H 0.810 -7.108 3.923 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . c17669_2ldj 1 . 1 . 147 . 1 1 8 LYS HD3 H -0.294 -8.334 3.300 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . c17669_2ldj 1 . 1 . 148 . 1 1 8 LYS HE2 H 2.202 -7.616 1.808 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . c17669_2ldj 1 . 1 . 149 . 1 1 8 LYS HE3 H 2.257 -8.745 3.160 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . c17669_2ldj 1 . 1 . 150 . 1 1 8 LYS HG2 H 0.630 -5.982 1.668 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . c17669_2ldj 1 . 1 . 151 . 1 1 8 LYS HG3 H -0.819 -5.940 2.671 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . c17669_2ldj 1 . 1 . 152 . 1 1 8 LYS HZ1 H 2.005 -9.932 1.099 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . c17669_2ldj 1 . 1 . 153 . 1 1 8 LYS HZ2 H 0.628 -9.038 0.695 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . c17669_2ldj 1 . 1 . 154 . 1 1 8 LYS HZ3 H 0.590 -10.100 2.011 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . c17669_2ldj 1 . 1 . 155 . 1 1 8 LYS N N -1.158 -5.118 -0.252 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . c17669_2ldj 1 . 1 . 156 . 1 1 8 LYS NZ N 1.182 -9.426 1.485 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . c17669_2ldj 1 . 1 . 157 . 1 1 8 LYS O O -3.864 -6.602 1.606 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . c17669_2ldj 1 . 1 . 158 . 1 1 9 ASP C C -5.082 -3.340 1.879 . . . 1.0 . . . . . . . . . . . . A . 9 ASP C . . . . . . . . . c17669_2ldj 1 . 1 . 159 . 1 1 9 ASP CA C -3.926 -4.027 2.593 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CA . . . . . . . . . c17669_2ldj 1 . 1 . 160 . 1 1 9 ASP CB C -3.267 -3.053 3.564 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CB . . . . . . . . . c17669_2ldj 1 . 1 . 161 . 1 1 9 ASP CG C -4.056 -2.915 4.848 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CG . . . . . . . . . c17669_2ldj 1 . 1 . 162 . 1 1 9 ASP H H -2.235 -3.963 1.317 . . . 1.0 . . . . . . . . . . . . A . 9 ASP H . . . . . . . . . c17669_2ldj 1 . 1 . 163 . 1 1 9 ASP HA H -4.318 -4.862 3.154 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HA . . . . . . . . . c17669_2ldj 1 . 1 . 164 . 1 1 9 ASP HB2 H -2.276 -3.407 3.805 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB2 . . . . . . . . . c17669_2ldj 1 . 1 . 165 . 1 1 9 ASP HB3 H -3.196 -2.081 3.098 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB3 . . . . . . . . . c17669_2ldj 1 . 1 . 166 . 1 1 9 ASP N N -2.944 -4.552 1.651 . . . 1.0 . . . . . . . . . . . . A . 9 ASP N . . . . . . . . . c17669_2ldj 1 . 1 . 167 . 1 1 9 ASP O O -6.040 -2.906 2.516 . . . 1.0 . . . . . . . . . . . . A . 9 ASP O . . . . . . . . . c17669_2ldj 1 . 1 . 168 . 1 1 9 ASP OD1 O -4.999 -2.099 4.882 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD1 . . . . . . . . . c17669_2ldj 1 . 1 . 169 . 1 1 9 ASP OD2 O -3.734 -3.630 5.818 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD2 . . . . . . . . . c17669_2ldj 1 . 1 . 170 . 1 1 10 . C C -5.583 -1.285 -0.829 . . . 1.0 . . . . . . . . . . . . A . 10 DGN C . . . . . . . . . c17669_2ldj 1 . 1 . 171 . 1 1 10 . CA C -6.045 -2.608 -0.229 . . . 1.0 . . . . . . . . . . . . A . 10 DGN CA . . . . . . . . . c17669_2ldj 1 . 1 . 172 . 1 1 10 . CB C -6.509 -3.548 -1.340 . . . 1.0 . . . . . . . . . . . . A . 10 DGN CB . . . . . . . . . c17669_2ldj 1 . 1 . 173 . 1 1 10 . CD C -6.978 -5.404 0.314 . . . 1.0 . . . . . . . . . . . . A . 10 DGN CD . . . . . . . . . c17669_2ldj 1 . 1 . 174 . 1 1 10 . CG C -7.486 -4.616 -0.876 . . . 1.0 . . . . . . . . . . . . A . 10 DGN CG . . . . . . . . . c17669_2ldj 1 . 1 . 175 . 1 1 10 . H H -4.198 -3.593 0.104 . . . 1.0 . . . . . . . . . . . . A . 10 DGN H . . . . . . . . . c17669_2ldj 1 . 1 . 176 . 1 1 10 . HA H -6.878 -2.420 0.426 . . . 1.0 . . . . . . . . . . . . A . 10 DGN HA . . . . . . . . . c17669_2ldj 1 . 1 . 177 . 1 1 10 . HB2 H -6.990 -2.964 -2.111 . . . 1.0 . . . . . . . . . . . . A . 10 DGN HB2 . . . . . . . . . c17669_2ldj 1 . 1 . 178 . 1 1 10 . HB3 H -5.645 -4.040 -1.762 . . . 1.0 . . . . . . . . . . . . A . 10 DGN HB3 . . . . . . . . . c17669_2ldj 1 . 1 . 179 . 1 1 10 . HE21 H -5.998 -6.641 -0.893 . . . 1.0 . . . . . . . . . . . . A . 10 DGN HE21 . . . . . . . . . c17669_2ldj 1 . 1 . 180 . 1 1 10 . HE22 H -5.857 -6.971 0.797 . . . 1.0 . . . . . . . . . . . . A . 10 DGN HE22 . . . . . . . . . c17669_2ldj 1 . 1 . 181 . 1 1 10 . HG2 H -8.415 -4.140 -0.601 . . . 1.0 . . . . . . . . . . . . A . 10 DGN HG2 . . . . . . . . . c17669_2ldj 1 . 1 . 182 . 1 1 10 . HG3 H -7.663 -5.301 -1.692 . . . 1.0 . . . . . . . . . . . . A . 10 DGN HG3 . . . . . . . . . c17669_2ldj 1 . 1 . 183 . 1 1 10 . N N -4.990 -3.238 0.559 . . . 1.0 . . . . . . . . . . . . A . 10 DGN N . . . . . . . . . c17669_2ldj 1 . 1 . 184 . 1 1 10 . NE2 N -6.199 -6.443 0.046 . . . 1.0 . . . . . . . . . . . . A . 10 DGN NE2 . . . . . . . . . c17669_2ldj 1 . 1 . 185 . 1 1 10 . O O -6.403 -0.438 -1.183 . . . 1.0 . . . . . . . . . . . . A . 10 DGN O . . . . . . . . . c17669_2ldj 1 . 1 . 186 . 1 1 10 . OE1 O -7.277 -5.077 1.462 . . . 1.0 . . . . . . . . . . . . A . 10 DGN OE1 . . . . . . . . . c17669_2ldj 1 . 1 . 187 . 1 1 11 GLY C C -4.274 1.360 -0.843 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . c17669_2ldj 1 . 1 . 188 . 1 1 11 GLY CA C -3.728 0.108 -1.512 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . c17669_2ldj 1 . 1 . 189 . 1 1 11 GLY H H -3.665 -1.823 -0.643 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . c17669_2ldj 1 . 1 . 190 . 1 1 11 GLY HA2 H -2.654 0.095 -1.401 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . c17669_2ldj 1 . 1 . 191 . 1 1 11 GLY HA3 H -3.968 0.137 -2.563 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . c17669_2ldj 1 . 1 . 192 . 1 1 11 GLY N N -4.271 -1.114 -0.945 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . c17669_2ldj 1 . 1 . 193 . 1 1 11 GLY O O -4.312 1.434 0.384 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . c17669_2ldj 1 . 1 . 194 . 1 1 12 PRO C C -6.701 3.463 -0.638 . . . 1.0 . . . . . . . . . . . . A . 12 PRO C . . . . . . . . . c17669_2ldj 1 . 1 . 195 . 1 1 12 PRO CA C -5.252 3.608 -1.073 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CA . . . . . . . . . c17669_2ldj 1 . 1 . 196 . 1 1 12 PRO CB C -5.139 4.576 -2.246 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CB . . . . . . . . . c17669_2ldj 1 . 1 . 197 . 1 1 12 PRO CD C -4.749 2.369 -3.104 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CD . . . . . . . . . c17669_2ldj 1 . 1 . 198 . 1 1 12 PRO CG C -5.320 3.721 -3.452 . . . 1.0 . . . . . . . . . . . . A . 12 PRO CG . . . . . . . . . c17669_2ldj 1 . 1 . 199 . 1 1 12 PRO HA H -4.658 3.965 -0.245 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HA . . . . . . . . . c17669_2ldj 1 . 1 . 200 . 1 1 12 PRO HB2 H -5.911 5.329 -2.172 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB2 . . . . . . . . . c17669_2ldj 1 . 1 . 201 . 1 1 12 PRO HB3 H -4.167 5.044 -2.238 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HB3 . . . . . . . . . c17669_2ldj 1 . 1 . 202 . 1 1 12 PRO HD2 H -5.391 1.583 -3.475 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD2 . . . . . . . . . c17669_2ldj 1 . 1 . 203 . 1 1 12 PRO HD3 H -3.755 2.266 -3.510 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HD3 . . . . . . . . . c17669_2ldj 1 . 1 . 204 . 1 1 12 PRO HG2 H -6.372 3.634 -3.684 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG2 . . . . . . . . . c17669_2ldj 1 . 1 . 205 . 1 1 12 PRO HG3 H -4.785 4.148 -4.287 . . . 1.0 . . . . . . . . . . . . A . 12 PRO HG3 . . . . . . . . . c17669_2ldj 1 . 1 . 206 . 1 1 12 PRO N N -4.718 2.365 -1.625 . . . 1.0 . . . . . . . . . . . . A . 12 PRO N . . . . . . . . . c17669_2ldj 1 . 1 . 207 . 1 1 12 PRO O O -7.228 4.296 0.097 . . . 1.0 . . . . . . . . . . . . A . 12 PRO O . . . . . . . . . c17669_2ldj 1 . 1 . 208 . 1 1 13 SER C C -8.895 1.919 0.731 . . . 1.0 . . . . . . . . . . . . A . 13 SER C . . . . . . . . . c17669_2ldj 1 . 1 . 209 . 1 1 13 SER CA C -8.729 2.131 -0.768 . . . 1.0 . . . . . . . . . . . . A . 13 SER CA . . . . . . . . . c17669_2ldj 1 . 1 . 210 . 1 1 13 SER CB C -9.226 0.902 -1.526 . . . 1.0 . . . . . . . . . . . . A . 13 SER CB . . . . . . . . . c17669_2ldj 1 . 1 . 211 . 1 1 13 SER H H -6.860 1.768 -1.682 . . . 1.0 . . . . . . . . . . . . A . 13 SER H . . . . . . . . . c17669_2ldj 1 . 1 . 212 . 1 1 13 SER HA H -9.312 2.989 -1.066 . . . 1.0 . . . . . . . . . . . . A . 13 SER HA . . . . . . . . . c17669_2ldj 1 . 1 . 213 . 1 1 13 SER HB2 H -8.756 0.018 -1.124 . . . 1.0 . . . . . . . . . . . . A . 13 SER HB2 . . . . . . . . . c17669_2ldj 1 . 1 . 214 . 1 1 13 SER HB3 H -10.297 0.823 -1.417 . . . 1.0 . . . . . . . . . . . . A . 13 SER HB3 . . . . . . . . . c17669_2ldj 1 . 1 . 215 . 1 1 13 SER HG H -9.267 1.817 -3.257 . . . 1.0 . . . . . . . . . . . . A . 13 SER HG . . . . . . . . . c17669_2ldj 1 . 1 . 216 . 1 1 13 SER N N -7.338 2.396 -1.101 . . . 1.0 . . . . . . . . . . . . A . 13 SER N . . . . . . . . . c17669_2ldj 1 . 1 . 217 . 1 1 13 SER O O -9.462 2.758 1.428 . . . 1.0 . . . . . . . . . . . . A . 13 SER O . . . . . . . . . c17669_2ldj 1 . 1 . 218 . 1 1 13 SER OG O -8.913 0.998 -2.904 . . . 1.0 . . . . . . . . . . . . A . 13 SER OG . . . . . . . . . c17669_2ldj 1 . 1 . 219 . 1 1 14 SER C C -7.132 0.625 3.312 . . . 1.0 . . . . . . . . . . . . A . 14 SER C . . . . . . . . . c17669_2ldj 1 . 1 . 220 . 1 1 14 SER CA C -8.488 0.470 2.635 . . . 1.0 . . . . . . . . . . . . A . 14 SER CA . . . . . . . . . c17669_2ldj 1 . 1 . 221 . 1 1 14 SER CB C -9.013 -0.954 2.820 . . . 1.0 . . . . . . . . . . . . A . 14 SER CB . . . . . . . . . c17669_2ldj 1 . 1 . 222 . 1 1 14 SER H H -7.954 0.162 0.613 . . . 1.0 . . . . . . . . . . . . A . 14 SER H . . . . . . . . . c17669_2ldj 1 . 1 . 223 . 1 1 14 SER HA H -9.183 1.162 3.087 . . . 1.0 . . . . . . . . . . . . A . 14 SER HA . . . . . . . . . c17669_2ldj 1 . 1 . 224 . 1 1 14 SER HB2 H -8.846 -1.267 3.839 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB2 . . . . . . . . . c17669_2ldj 1 . 1 . 225 . 1 1 14 SER HB3 H -10.071 -0.976 2.605 . . . 1.0 . . . . . . . . . . . . A . 14 SER HB3 . . . . . . . . . c17669_2ldj 1 . 1 . 226 . 1 1 14 SER HG H -8.958 -2.142 1.265 . . . 1.0 . . . . . . . . . . . . A . 14 SER HG . . . . . . . . . c17669_2ldj 1 . 1 . 227 . 1 1 14 SER N N -8.396 0.792 1.219 . . . 1.0 . . . . . . . . . . . . A . 14 SER N . . . . . . . . . c17669_2ldj 1 . 1 . 228 . 1 1 14 SER O O -6.818 -0.084 4.268 . . . 1.0 . . . . . . . . . . . . A . 14 SER O . . . . . . . . . c17669_2ldj 1 . 1 . 229 . 1 1 14 SER OG O -8.352 -1.856 1.953 . . . 1.0 . . . . . . . . . . . . A . 14 SER OG . . . . . . . . . c17669_2ldj 1 . 1 . 230 . 1 1 15 GLY C C -4.742 3.263 3.628 . . . 1.0 . . . . . . . . . . . . A . 15 GLY C . . . . . . . . . c17669_2ldj 1 . 1 . 231 . 1 1 15 GLY CA C -5.018 1.794 3.377 . . . 1.0 . . . . . . . . . . . . A . 15 GLY CA . . . . . . . . . c17669_2ldj 1 . 1 . 232 . 1 1 15 GLY H H -6.640 2.101 2.052 . . . 1.0 . . . . . . . . . . . . A . 15 GLY H . . . . . . . . . c17669_2ldj 1 . 1 . 233 . 1 1 15 GLY HA2 H -4.942 1.260 4.313 . . . 1.0 . . . . . . . . . . . . A . 15 GLY HA2 . . . . . . . . . c17669_2ldj 1 . 1 . 234 . 1 1 15 GLY HA3 H -4.273 1.411 2.696 . . . 1.0 . . . . . . . . . . . . A . 15 GLY HA3 . . . . . . . . . c17669_2ldj 1 . 1 . 235 . 1 1 15 GLY N N -6.333 1.562 2.811 . . . 1.0 . . . . . . . . . . . . A . 15 GLY N . . . . . . . . . c17669_2ldj 1 . 1 . 236 . 1 1 15 GLY O O -5.232 3.836 4.601 . . . 1.0 . . . . . . . . . . . . A . 15 GLY O . . . . . . . . . c17669_2ldj 1 . 1 . 237 . 1 1 16 ARG C C -3.294 5.892 1.518 . . . 1.0 . . . . . . . . . . . . A . 16 ARG C . . . . . . . . . c17669_2ldj 1 . 1 . 238 . 1 1 16 ARG CA C -3.611 5.282 2.881 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CA . . . . . . . . . c17669_2ldj 1 . 1 . 239 . 1 1 16 ARG CB C -2.401 5.438 3.805 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CB . . . . . . . . . c17669_2ldj 1 . 1 . 240 . 1 1 16 ARG CD C 0.081 5.167 4.105 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CD . . . . . . . . . c17669_2ldj 1 . 1 . 241 . 1 1 16 ARG CG C -1.117 4.872 3.220 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CG . . . . . . . . . c17669_2ldj 1 . 1 . 242 . 1 1 16 ARG CZ C 0.989 4.313 6.223 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CZ . . . . . . . . . c17669_2ldj 1 . 1 . 243 . 1 1 16 ARG H H -3.604 3.363 1.988 . . . 1.0 . . . . . . . . . . . . A . 16 ARG H . . . . . . . . . c17669_2ldj 1 . 1 . 244 . 1 1 16 ARG HA H -4.457 5.796 3.312 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HA . . . . . . . . . c17669_2ldj 1 . 1 . 245 . 1 1 16 ARG HB2 H -2.249 6.489 4.006 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB2 . . . . . . . . . c17669_2ldj 1 . 1 . 246 . 1 1 16 ARG HB3 H -2.604 4.928 4.735 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB3 . . . . . . . . . c17669_2ldj 1 . 1 . 247 . 1 1 16 ARG HD2 H 0.970 4.788 3.624 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD2 . . . . . . . . . c17669_2ldj 1 . 1 . 248 . 1 1 16 ARG HD3 H 0.168 6.237 4.228 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD3 . . . . . . . . . c17669_2ldj 1 . 1 . 249 . 1 1 16 ARG HE H -0.942 4.299 5.722 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HE . . . . . . . . . c17669_2ldj 1 . 1 . 250 . 1 1 16 ARG HG2 H -1.221 3.803 3.118 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG2 . . . . . . . . . c17669_2ldj 1 . 1 . 251 . 1 1 16 ARG HG3 H -0.952 5.314 2.248 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG3 . . . . . . . . . c17669_2ldj 1 . 1 . 252 . 1 1 16 ARG HH11 H 2.370 5.055 4.948 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH11 . . . . . . . . . c17669_2ldj 1 . 1 . 253 . 1 1 16 ARG HH12 H 2.992 4.454 6.449 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH12 . . . . . . . . . c17669_2ldj 1 . 1 . 254 . 1 1 16 ARG HH21 H -0.130 3.508 7.699 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH21 . . . . . . . . . c17669_2ldj 1 . 1 . 255 . 1 1 16 ARG HH22 H 1.572 3.577 8.011 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH22 . . . . . . . . . c17669_2ldj 1 . 1 . 256 . 1 1 16 ARG N N -3.958 3.872 2.747 . . . 1.0 . . . . . . . . . . . . A . 16 ARG N . . . . . . . . . c17669_2ldj 1 . 1 . 257 . 1 1 16 ARG NE N -0.043 4.549 5.421 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NE . . . . . . . . . c17669_2ldj 1 . 1 . 258 . 1 1 16 ARG NH1 N 2.217 4.633 5.842 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH1 . . . . . . . . . c17669_2ldj 1 . 1 . 259 . 1 1 16 ARG NH2 N 0.794 3.753 7.408 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH2 . . . . . . . . . c17669_2ldj 1 . 1 . 260 . 1 1 16 ARG O O -2.927 5.175 0.587 . . . 1.0 . . . . . . . . . . . . A . 16 ARG O . . . . . . . . . c17669_2ldj 1 . 1 . 261 . 1 1 17 PRO C C -1.731 7.559 -0.369 . . . 1.0 . . . . . . . . . . . . A . 17 PRO C . . . . . . . . . c17669_2ldj 1 . 1 . 262 . 1 1 17 PRO CA C -3.134 7.910 0.119 . . . 1.0 . . . . . . . . . . . . A . 17 PRO CA . . . . . . . . . c17669_2ldj 1 . 1 . 263 . 1 1 17 PRO CB C -3.219 9.393 0.487 . . . 1.0 . . . . . . . . . . . . A . 17 PRO CB . . . . . . . . . c17669_2ldj 1 . 1 . 264 . 1 1 17 PRO CD C -3.890 8.162 2.423 . . . 1.0 . . . . . . . . . . . . A . 17 PRO CD . . . . . . . . . c17669_2ldj 1 . 1 . 265 . 1 1 17 PRO CG C -4.126 9.440 1.667 . . . 1.0 . . . . . . . . . . . . A . 17 PRO CG . . . . . . . . . c17669_2ldj 1 . 1 . 266 . 1 1 17 PRO HA H -3.860 7.676 -0.644 . . . 1.0 . . . . . . . . . . . . A . 17 PRO HA . . . . . . . . . c17669_2ldj 1 . 1 . 267 . 1 1 17 PRO HB2 H -2.234 9.763 0.730 . . . 1.0 . . . . . . . . . . . . A . 17 PRO HB2 . . . . . . . . . c17669_2ldj 1 . 1 . 268 . 1 1 17 PRO HB3 H -3.625 9.950 -0.344 . . . 1.0 . . . . . . . . . . . . A . 17 PRO HB3 . . . . . . . . . c17669_2ldj 1 . 1 . 269 . 1 1 17 PRO HD2 H -3.127 8.304 3.174 . . . 1.0 . . . . . . . . . . . . A . 17 PRO HD2 . . . . . . . . . c17669_2ldj 1 . 1 . 270 . 1 1 17 PRO HD3 H -4.808 7.817 2.876 . . . 1.0 . . . . . . . . . . . . A . 17 PRO HD3 . . . . . . . . . c17669_2ldj 1 . 1 . 271 . 1 1 17 PRO HG2 H -3.881 10.292 2.285 . . . 1.0 . . . . . . . . . . . . A . 17 PRO HG2 . . . . . . . . . c17669_2ldj 1 . 1 . 272 . 1 1 17 PRO HG3 H -5.153 9.497 1.339 . . . 1.0 . . . . . . . . . . . . A . 17 PRO HG3 . . . . . . . . . c17669_2ldj 1 . 1 . 273 . 1 1 17 PRO N N -3.434 7.226 1.378 . . . 1.0 . . . . . . . . . . . . A . 17 PRO N . . . . . . . . . c17669_2ldj 1 . 1 . 274 . 1 1 17 PRO O O -0.796 7.550 0.429 . . . 1.0 . . . . . . . . . . . . A . 17 PRO O . . . . . . . . . c17669_2ldj 1 . 1 . 275 . 1 1 18 PRO C C 0.907 7.621 -1.624 . . . 1.0 . . . . . . . . . . . . A . 18 PRO C . . . . . . . . . c17669_2ldj 1 . 1 . 276 . 1 1 18 PRO CA C -0.276 6.902 -2.264 . . . 1.0 . . . . . . . . . . . . A . 18 PRO CA . . . . . . . . . c17669_2ldj 1 . 1 . 277 . 1 1 18 PRO CB C -0.435 7.323 -3.719 . . . 1.0 . . . . . . . . . . . . A . 18 PRO CB . . . . . . . . . c17669_2ldj 1 . 1 . 278 . 1 1 18 PRO CD C -2.623 7.327 -2.713 . . . 1.0 . . . . . . . . . . . . A . 18 PRO CD . . . . . . . . . c17669_2ldj 1 . 1 . 279 . 1 1 18 PRO CG C -1.881 7.109 -4.011 . . . 1.0 . . . . . . . . . . . . A . 18 PRO CG . . . . . . . . . c17669_2ldj 1 . 1 . 280 . 1 1 18 PRO HA H -0.117 5.835 -2.216 . . . 1.0 . . . . . . . . . . . . A . 18 PRO HA . . . . . . . . . c17669_2ldj 1 . 1 . 281 . 1 1 18 PRO HB2 H -0.156 8.361 -3.830 . . . 1.0 . . . . . . . . . . . . A . 18 PRO HB2 . . . . . . . . . c17669_2ldj 1 . 1 . 282 . 1 1 18 PRO HB3 H 0.190 6.706 -4.347 . . . 1.0 . . . . . . . . . . . . A . 18 PRO HB3 . . . . . . . . . c17669_2ldj 1 . 1 . 283 . 1 1 18 PRO HD2 H -3.109 8.291 -2.716 . . . 1.0 . . . . . . . . . . . . A . 18 PRO HD2 . . . . . . . . . c17669_2ldj 1 . 1 . 284 . 1 1 18 PRO HD3 H -3.346 6.541 -2.558 . . . 1.0 . . . . . . . . . . . . A . 18 PRO HD3 . . . . . . . . . c17669_2ldj 1 . 1 . 285 . 1 1 18 PRO HG2 H -2.212 7.819 -4.753 . . . 1.0 . . . . . . . . . . . . A . 18 PRO HG2 . . . . . . . . . c17669_2ldj 1 . 1 . 286 . 1 1 18 PRO HG3 H -2.036 6.100 -4.364 . . . 1.0 . . . . . . . . . . . . A . 18 PRO HG3 . . . . . . . . . c17669_2ldj 1 . 1 . 287 . 1 1 18 PRO N N -1.566 7.277 -1.682 . . . 1.0 . . . . . . . . . . . . A . 18 PRO N . . . . . . . . . c17669_2ldj 1 . 1 . 288 . 1 1 18 PRO O O 1.229 8.750 -1.995 . . . 1.0 . . . . . . . . . . . . A . 18 PRO O . . . . . . . . . c17669_2ldj 1 . 1 . 289 . 1 1 19 PRO C C 4.002 7.367 -0.757 . . . 1.0 . . . . . . . . . . . . A . 19 PRO C . . . . . . . . . c17669_2ldj 1 . 1 . 290 . 1 1 19 PRO CA C 2.719 7.561 0.034 . . . 1.0 . . . . . . . . . . . . A . 19 PRO CA . . . . . . . . . c17669_2ldj 1 . 1 . 291 . 1 1 19 PRO CB C 2.769 6.781 1.343 . . . 1.0 . . . . . . . . . . . . A . 19 PRO CB . . . . . . . . . c17669_2ldj 1 . 1 . 292 . 1 1 19 PRO CD C 1.273 5.618 -0.141 . . . 1.0 . . . . . . . . . . . . A . 19 PRO CD . . . . . . . . . c17669_2ldj 1 . 1 . 293 . 1 1 19 PRO CG C 2.252 5.427 0.992 . . . 1.0 . . . . . . . . . . . . A . 19 PRO CG . . . . . . . . . c17669_2ldj 1 . 1 . 294 . 1 1 19 PRO HA H 2.570 8.612 0.236 . . . 1.0 . . . . . . . . . . . . A . 19 PRO HA . . . . . . . . . c17669_2ldj 1 . 1 . 295 . 1 1 19 PRO HB2 H 3.787 6.736 1.701 . . . 1.0 . . . . . . . . . . . . A . 19 PRO HB2 . . . . . . . . . c17669_2ldj 1 . 1 . 296 . 1 1 19 PRO HB3 H 2.143 7.263 2.079 . . . 1.0 . . . . . . . . . . . . A . 19 PRO HB3 . . . . . . . . . c17669_2ldj 1 . 1 . 297 . 1 1 19 PRO HD2 H 1.437 4.876 -0.908 . . . 1.0 . . . . . . . . . . . . A . 19 PRO HD2 . . . . . . . . . c17669_2ldj 1 . 1 . 298 . 1 1 19 PRO HD3 H 0.259 5.563 0.226 . . . 1.0 . . . . . . . . . . . . A . 19 PRO HD3 . . . . . . . . . c17669_2ldj 1 . 1 . 299 . 1 1 19 PRO HG2 H 3.068 4.795 0.676 . . . 1.0 . . . . . . . . . . . . A . 19 PRO HG2 . . . . . . . . . c17669_2ldj 1 . 1 . 300 . 1 1 19 PRO HG3 H 1.753 4.993 1.846 . . . 1.0 . . . . . . . . . . . . A . 19 PRO HG3 . . . . . . . . . c17669_2ldj 1 . 1 . 301 . 1 1 19 PRO N N 1.575 6.975 -0.649 . . . 1.0 . . . . . . . . . . . . A . 19 PRO N . . . . . . . . . c17669_2ldj 1 . 1 . 302 . 1 1 19 PRO O O 3.967 7.094 -1.957 . . . 1.0 . . . . . . . . . . . . A . 19 PRO O . . . . . . . . . c17669_2ldj 1 . 1 . 303 . 1 1 20 SER C C 6.920 5.913 -0.561 . . . 1.0 . . . . . . . . . . . . A . 20 SER C . . . . . . . . . c17669_2ldj 1 . 1 . 304 . 1 1 20 SER CA C 6.422 7.340 -0.732 . . . 1.0 . . . . . . . . . . . . A . 20 SER CA . . . . . . . . . c17669_2ldj 1 . 1 . 305 . 1 1 20 SER CB C 7.439 8.324 -0.160 . . . 1.0 . . . . . . . . . . . . A . 20 SER CB . . . . . . . . . c17669_2ldj 1 . 1 . 306 . 1 1 20 SER H H 5.100 7.731 0.870 . . . 1.0 . . . . . . . . . . . . A . 20 SER H . . . . . . . . . c17669_2ldj 1 . 1 . 307 . 1 1 20 SER HA H 6.292 7.540 -1.785 . . . 1.0 . . . . . . . . . . . . A . 20 SER HA . . . . . . . . . c17669_2ldj 1 . 1 . 308 . 1 1 20 SER HB2 H 7.067 9.332 -0.274 . . . 1.0 . . . . . . . . . . . . A . 20 SER HB2 . . . . . . . . . c17669_2ldj 1 . 1 . 309 . 1 1 20 SER HB3 H 7.592 8.113 0.888 . . . 1.0 . . . . . . . . . . . . A . 20 SER HB3 . . . . . . . . . c17669_2ldj 1 . 1 . 310 . 1 1 20 SER HG H 9.391 8.449 -0.232 . . . 1.0 . . . . . . . . . . . . A . 20 SER HG . . . . . . . . . c17669_2ldj 1 . 1 . 311 . 1 1 20 SER N N 5.133 7.509 -0.084 . . . 1.0 . . . . . . . . . . . . A . 20 SER N . . . . . . . . . c17669_2ldj 1 . 1 . 312 . 1 1 20 SER O O 7.653 5.655 0.415 . . . 1.0 . . . . . . . . . . . . A . 20 SER O . . . . . . . . . c17669_2ldj 1 . 1 . 313 . 1 1 20 SER OXT O 6.566 5.061 -1.402 . . . 1.0 . . . . . . . . . . . . A . 20 SER OXT . . . . . . . . . c17669_2ldj 1 . 1 . 314 . 1 1 20 SER OG O 8.679 8.217 -0.833 . . . 1.0 . . . . . . . . . . . . A . 20 SER OG . . . . . . . . . c17669_2ldj 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID c17669_2ldj _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 2ldj.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c17669_2ldj 1 1 2ldj.mr . . XPLOR/CNS 2 distance NOE ambi 425 c17669_2ldj 1 1 2ldj.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c17669_2ldj 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 c17669_2ldj _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 . . . . c17669_2ldj 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 OR . 1 1 3 3 TYR H H . . . 1 1 19 19 PRO HA H . . . . . 0.808 0.000 6.000 . . . . . A . 3 TYR H . . A . 19 PRO HA . . . 3 . HN . . . . . 19 . HA . . c17669_2ldj 1 1 2 OR . 1 1 1 1 ASN HA H . . . 1 1 3 3 TYR H H . . . . . 0.808 0.000 6.000 . . . . . A . 1 ASN HA . . A . 3 TYR H . . . 1 . HA . . . . . 3 . HN . . c17669_2ldj 1 2 1 OR . 1 1 1 1 ASN HB3 H . . . 1 1 16 16 ARG HD2 H . . . . . 0.388 0.000 6.000 . . . . . A . 1 ASN HB3 . . A . 16 ARG HD2 . . . 1 . HB2 . . . . . 16 . HD1 . . c17669_2ldj 1 2 2 OR . 1 1 1 1 ASN HB3 H . . . 1 1 16 16 ARG HD3 H . . . . . 0.388 0.000 6.000 . . . . . A . 1 ASN HB3 . . A . 16 ARG HD3 . . . 1 . HB2 . . . . . 16 . HD2 . . c17669_2ldj 1 2 3 OR . 1 1 1 1 ASN HB2 H . . . 1 1 1 1 ASN HB3 H . . . . . 0.388 0.000 6.000 . . . . . A . 1 ASN HB2 . . A . 1 ASN HB3 . . . 1 . HB1 . . . . . 1 . HB2 . . c17669_2ldj 1 3 1 OR . 1 1 16 16 ARG HD2 H . . . 1 1 2 2 LEU H H . . . . . 0.591 0.000 6.000 . . . . . A . 16 ARG HD2 . . A . 2 LEU H . . . 16 . HD1 . . . . . 2 . HN . . c17669_2ldj 1 3 2 OR . 1 1 16 16 ARG HD3 H . . . 1 1 2 2 LEU H H . . . . . 0.591 0.000 6.000 . . . . . A . 16 ARG HD3 . . A . 2 LEU H . . . 16 . HD2 . . . . . 2 . HN . . c17669_2ldj 1 3 3 OR . 1 1 1 1 ASN HB2 H . . . 1 1 2 2 LEU H H . . . . . 0.591 0.000 6.000 . . . . . A . 1 ASN HB2 . . A . 2 LEU H . . . 1 . HB1 . . . . . 2 . HN . . c17669_2ldj 1 4 1 OR . 1 1 3 3 TYR H H . . . 1 1 16 16 ARG HD2 H . . . . . 0.814 0.000 6.000 . . . . . A . 3 TYR H . . A . 16 ARG HD2 . . . 3 . HN . . . . . 16 . HD1 . . c17669_2ldj 1 4 2 OR . 1 1 3 3 TYR H H . . . 1 1 16 16 ARG HD3 H . . . . . 0.814 0.000 6.000 . . . . . A . 3 TYR H . . A . 16 ARG HD3 . . . 3 . HN . . . . . 16 . HD2 . . c17669_2ldj 1 4 3 OR . 1 1 3 3 TYR H H . . . 1 1 1 1 ASN HB2 H . . . . . 0.814 0.000 6.000 . . . . . A . 3 TYR H . . A . 1 ASN HB2 . . . 3 . HN . . . . . 1 . HB1 . . c17669_2ldj 1 5 1 OR . 1 1 4 4 ILE H H . . . 1 1 2 2 LEU HG H . . . . . 0.719 0.000 6.000 . . . . . A . 4 ILE H . . A . 2 LEU HG . . . 4 . HN . . . . . 2 . HG . . c17669_2ldj 1 5 2 OR . 1 1 2 2 LEU HB3 H . . . 1 1 4 4 ILE H H . . . . . 0.719 0.000 6.000 . . . . . A . 2 LEU HB3 . . A . 4 ILE H . . . 2 . HB2 . . . . . 4 . HN . . c17669_2ldj 1 6 1 OR . 1 1 2 2 LEU H H . . . 1 1 4 4 ILE HG12 H . . . . . 0.650 0.000 6.000 . . . . . A . 2 LEU H . . A . 4 ILE HG12 . . . 2 . HN . . . . . 4 . HG11 . . c17669_2ldj 1 6 2 OR . 1 1 2 2 LEU H H . . . 1 1 2 2 LEU HB2 H . . . . . 0.650 0.000 6.000 . . . . . A . 2 LEU H . . A . 2 LEU HB2 . . . 2 . HN . . . . . 2 . HB1 . . c17669_2ldj 1 7 1 OR . 1 1 2 2 LEU HA H . . . 1 1 4 4 ILE MD H . . . . . 0.662 0.000 6.000 . . . . . A . 2 LEU HA . . A . 4 ILE MD . . . 2 . HA . . . . . 4 . HD11 . . c17669_2ldj 1 7 2 OR . 1 1 4 4 ILE MD H . . . 1 1 6 6 TRP HA H . . . . . 0.662 0.000 6.000 . . . . . A . 4 ILE MD . . A . 6 TRP HA . . . 4 . HD11 . . . . . 6 . HA . . c17669_2ldj 1 8 1 OR . 1 1 4 4 ILE MD H . . . 1 1 6 6 TRP H H . . . . . 0.803 0.000 6.000 . . . . . A . 4 ILE MD . . A . 6 TRP H . . . 4 . HD11 . . . . . 6 . HN . . c17669_2ldj 1 8 2 OR . 1 1 4 4 ILE MD H . . . 1 1 20 20 SER H H . . . . . 0.803 0.000 6.000 . . . . . A . 4 ILE MD . . A . 20 SER H . . . 4 . HD11 . . . . . 20 . HN . . c17669_2ldj 1 9 1 OR . 1 1 16 16 ARG HD2 H . . . 1 1 4 4 ILE MD H . . . . . 0.714 0.000 6.000 . . . . . A . 16 ARG HD2 . . A . 4 ILE MD . . . 16 . HD1 . . . . . 4 . HD11 . . c17669_2ldj 1 9 2 OR . 1 1 16 16 ARG HD3 H . . . 1 1 4 4 ILE MD H . . . . . 0.714 0.000 6.000 . . . . . A . 16 ARG HD3 . . A . 4 ILE MD . . . 16 . HD2 . . . . . 4 . HD11 . . c17669_2ldj 1 9 3 OR . 1 1 1 1 ASN HB2 H . . . 1 1 4 4 ILE MD H . . . . . 0.714 0.000 6.000 . . . . . A . 1 ASN HB2 . . A . 4 ILE MD . . . 1 . HB1 . . . . . 4 . HD11 . . c17669_2ldj 1 10 1 OR . 1 1 1 1 ASN HB3 H . . . 1 1 2 2 LEU MD1 H . . . . . 0.573 0.000 6.000 . . . . . A . 1 ASN HB3 . . A . 2 LEU MD1 . . . 1 . HB2 . . . . . 2 . HD11 . . c17669_2ldj 1 10 2 OR . 1 1 1 1 ASN HB3 H . . . 1 1 4 4 ILE MD H . . . . . 0.573 0.000 6.000 . . . . . A . 1 ASN HB3 . . A . 4 ILE MD . . . 1 . HB2 . . . . . 4 . HD11 . . c17669_2ldj 1 10 3 OR . 1 1 1 1 ASN HB3 H . . . 1 1 2 2 LEU MD2 H . . . . . 0.573 0.000 6.000 . . . . . A . 1 ASN HB3 . . A . 2 LEU MD2 . . . 1 . HB2 . . . . . 2 . HD21 . . c17669_2ldj 1 11 1 OR . 1 1 6 6 TRP HA H . . . 1 1 2 2 LEU MD2 H . . . . . 0.465 0.000 6.000 . . . . . A . 6 TRP HA . . A . 2 LEU MD2 . . . 6 . HA . . . . . 2 . HD21 . . c17669_2ldj 1 11 2 OR . 1 1 2 2 LEU HA H . . . 1 1 2 2 LEU MD1 H . . . . . 0.465 0.000 6.000 . . . . . A . 2 LEU HA . . A . 2 LEU MD1 . . . 2 . HA . . . . . 2 . HD11 . . c17669_2ldj 1 11 3 OR . 1 1 6 6 TRP HA H . . . 1 1 2 2 LEU MD1 H . . . . . 0.465 0.000 6.000 . . . . . A . 6 TRP HA . . A . 2 LEU MD1 . . . 6 . HA . . . . . 2 . HD11 . . c17669_2ldj 1 11 4 OR . 1 1 2 2 LEU HA H . . . 1 1 2 2 LEU MD2 H . . . . . 0.465 0.000 6.000 . . . . . A . 2 LEU HA . . A . 2 LEU MD2 . . . 2 . HA . . . . . 2 . HD21 . . c17669_2ldj 1 12 1 OR . 1 1 2 2 LEU H H . . . 1 1 2 2 LEU MD2 H . . . . . 0.643 0.000 6.000 . . . . . A . 2 LEU H . . A . 2 LEU MD2 . . . 2 . HN . . . . . 2 . HD21 . . c17669_2ldj 1 12 2 OR . 1 1 2 2 LEU H H . . . 1 1 2 2 LEU MD1 H . . . . . 0.643 0.000 6.000 . . . . . A . 2 LEU H . . A . 2 LEU MD1 . . . 2 . HN . . . . . 2 . HD11 . . c17669_2ldj 1 12 3 OR . 1 1 2 2 LEU H H . . . 1 1 4 4 ILE MD H . . . . . 0.643 0.000 6.000 . . . . . A . 2 LEU H . . A . 4 ILE MD . . . 2 . HN . . . . . 4 . HD11 . . c17669_2ldj 1 13 1 OR . 1 1 3 3 TYR H H . . . 1 1 2 2 LEU MD2 H . . . . . 0.784 0.000 6.000 . . . . . A . 3 TYR H . . A . 2 LEU MD2 . . . 3 . HN . . . . . 2 . HD21 . . c17669_2ldj 1 13 2 OR . 1 1 3 3 TYR H H . . . 1 1 4 4 ILE MD H . . . . . 0.784 0.000 6.000 . . . . . A . 3 TYR H . . A . 4 ILE MD . . . 3 . HN . . . . . 4 . HD11 . . c17669_2ldj 1 13 3 OR . 1 1 3 3 TYR H H . . . 1 1 2 2 LEU MD1 H . . . . . 0.784 0.000 6.000 . . . . . A . 3 TYR H . . A . 2 LEU MD1 . . . 3 . HN . . . . . 2 . HD11 . . c17669_2ldj 1 14 1 OR . 1 1 2 2 LEU HG H . . . 1 1 2 2 LEU HA H . . . . . 0.557 0.000 6.000 . . . . . A . 2 LEU HG . . A . 2 LEU HA . . . 2 . HG . . . . . 2 . HA . . c17669_2ldj 1 14 2 OR . 1 1 2 2 LEU HB3 H . . . 1 1 2 2 LEU HA H . . . . . 0.557 0.000 6.000 . . . . . A . 2 LEU HB3 . . A . 2 LEU HA . . . 2 . HB2 . . . . . 2 . HA . . c17669_2ldj 1 15 1 OR . 1 1 2 2 LEU H H . . . 1 1 19 19 PRO HG2 H . . . . . 0.481 0.000 6.000 . . . . . A . 2 LEU H . . A . 19 PRO HG2 . . . 2 . HN . . . . . 19 . HG1 . . c17669_2ldj 1 15 2 OR . 1 1 2 2 LEU H H . . . 1 1 2 2 LEU HB3 H . . . . . 0.481 0.000 6.000 . . . . . A . 2 LEU H . . A . 2 LEU HB3 . . . 2 . HN . . . . . 2 . HB2 . . c17669_2ldj 1 16 1 OR . 1 1 14 14 SER HA H . . . 1 1 14 14 SER H H . . . . . 0.609 0.000 6.000 . . . . . A . 14 SER HA . . A . 14 SER H . . . 14 . HA . . . . . 14 . HN . . c17669_2ldj 1 16 2 OR . 1 1 4 4 ILE H H . . . 1 1 3 3 TYR HA H . . . . . 0.609 0.000 6.000 . . . . . A . 4 ILE H . . A . 3 TYR HA . . . 4 . HN . . . . . 3 . HA . . c17669_2ldj 1 17 1 OR . 1 1 14 14 SER HA H . . . 1 1 7 7 LEU H H . . . . . 0.754 0.000 6.000 . . . . . A . 14 SER HA . . A . 7 LEU H . . . 14 . HA . . . . . 7 . HN . . c17669_2ldj 1 17 2 OR . 1 1 3 3 TYR HA H . . . 1 1 7 7 LEU H H . . . . . 0.754 0.000 6.000 . . . . . A . 3 TYR HA . . A . 7 LEU H . . . 3 . HA . . . . . 7 . HN . . c17669_2ldj 1 18 1 OR . 1 1 3 3 TYR H H . . . 1 1 6 6 TRP HD1 H . . . . . 0.729 0.000 6.000 . . . . . A . 3 TYR H . . A . 6 TRP HD1 . . . 3 . HN . . . . . 6 . HD1 . . c17669_2ldj 1 18 2 OR . 1 1 3 3 TYR H H . . . 1 1 3 3 TYR HD2 H . . . . . 0.729 0.000 6.000 . . . . . A . 3 TYR H . . A . 3 TYR HD2 . . . 3 . HN . . . . . 3 . HD2 . . c17669_2ldj 1 18 3 OR . 1 1 3 3 TYR H H . . . 1 1 3 3 TYR HD1 H . . . . . 0.729 0.000 6.000 . . . . . A . 3 TYR H . . A . 3 TYR HD1 . . . 3 . HN . . . . . 3 . HD1 . . c17669_2ldj 1 19 1 OR . 1 1 3 3 TYR HD2 H . . . 1 1 8 8 LYS HG2 H . . . . . 0.686 0.000 6.000 . . . . . A . 3 TYR HD2 . . A . 8 LYS HG2 . . . 3 . HD2 . . . . . 8 . HG1 . . c17669_2ldj 1 19 2 OR . 1 1 3 3 TYR HD1 H . . . 1 1 8 8 LYS HG2 H . . . . . 0.686 0.000 6.000 . . . . . A . 3 TYR HD1 . . A . 8 LYS HG2 . . . 3 . HD1 . . . . . 8 . HG1 . . c17669_2ldj 1 19 3 OR . 1 1 2 2 LEU HB2 H . . . 1 1 3 3 TYR HD2 H . . . . . 0.686 0.000 6.000 . . . . . A . 2 LEU HB2 . . A . 3 TYR HD2 . . . 2 . HB1 . . . . . 3 . HD2 . . c17669_2ldj 1 19 4 OR . 1 1 2 2 LEU HB2 H . . . 1 1 3 3 TYR HD1 H . . . . . 0.686 0.000 6.000 . . . . . A . 2 LEU HB2 . . A . 3 TYR HD1 . . . 2 . HB1 . . . . . 3 . HD1 . . c17669_2ldj 1 20 1 OR . 1 1 3 3 TYR H H . . . 1 1 4 4 ILE HB H . . . . . 0.769 0.000 6.000 . . . . . A . 3 TYR H . . A . 4 ILE HB . . . 3 . HN . . . . . 4 . HB . . c17669_2ldj 1 20 2 OR . 1 1 3 3 TYR H H . . . 1 1 19 19 PRO HB3 H . . . . . 0.769 0.000 6.000 . . . . . A . 3 TYR H . . A . 19 PRO HB3 . . . 3 . HN . . . . . 19 . HB2 . . c17669_2ldj 1 21 1 OR . 1 1 4 4 ILE MD H . . . 1 1 4 4 ILE HA H . . . . . 0.483 0.000 6.000 . . . . . A . 4 ILE MD . . A . 4 ILE HA . . . 4 . HD11 . . . . . 4 . HA . . c17669_2ldj 1 21 2 OR . 1 1 2 2 LEU MD1 H . . . 1 1 4 4 ILE HA H . . . . . 0.483 0.000 6.000 . . . . . A . 2 LEU MD1 . . A . 4 ILE HA . . . 2 . HD11 . . . . . 4 . HA . . c17669_2ldj 1 21 3 OR . 1 1 2 2 LEU MD2 H . . . 1 1 4 4 ILE HA H . . . . . 0.483 0.000 6.000 . . . . . A . 2 LEU MD2 . . A . 4 ILE HA . . . 2 . HD21 . . . . . 4 . HA . . c17669_2ldj 1 22 1 OR . 1 1 3 3 TYR H H . . . 1 1 2 2 LEU HB2 H . . . . . 0.676 0.000 6.000 . . . . . A . 3 TYR H . . A . 2 LEU HB2 . . . 3 . HN . . . . . 2 . HB1 . . c17669_2ldj 1 22 2 OR . 1 1 3 3 TYR H H . . . 1 1 8 8 LYS HG2 H . . . . . 0.676 0.000 6.000 . . . . . A . 3 TYR H . . A . 8 LYS HG2 . . . 3 . HN . . . . . 8 . HG1 . . c17669_2ldj 1 23 1 OR . 1 1 4 4 ILE HG12 H . . . 1 1 4 4 ILE HA H . . . . . 0.544 0.000 6.000 . . . . . A . 4 ILE HG12 . . A . 4 ILE HA . . . 4 . HG11 . . . . . 4 . HA . . c17669_2ldj 1 23 2 OR . 1 1 2 2 LEU HB2 H . . . 1 1 4 4 ILE HA H . . . . . 0.544 0.000 6.000 . . . . . A . 2 LEU HB2 . . A . 4 ILE HA . . . 2 . HB1 . . . . . 4 . HA . . c17669_2ldj 1 24 1 OR . 1 1 4 4 ILE HG12 H . . . 1 1 5 5 GLN H H . . . . . 0.787 0.000 6.000 . . . . . A . 4 ILE HG12 . . A . 5 GLN H . . . 4 . HG11 . . . . . 5 . HN . . c17669_2ldj 1 24 2 OR . 1 1 2 2 LEU HB2 H . . . 1 1 5 5 GLN H H . . . . . 0.787 0.000 6.000 . . . . . A . 2 LEU HB2 . . A . 5 GLN H . . . 2 . HB1 . . . . . 5 . HN . . c17669_2ldj 1 25 1 OR . 1 1 2 2 LEU HB2 H . . . 1 1 2 2 LEU MD2 H . . . . . 0.472 0.000 6.000 . . . . . A . 2 LEU HB2 . . A . 2 LEU MD2 . . . 2 . HB1 . . . . . 2 . HD21 . . c17669_2ldj 1 25 2 OR . 1 1 4 4 ILE HG12 H . . . 1 1 4 4 ILE MD H . . . . . 0.472 0.000 6.000 . . . . . A . 4 ILE HG12 . . A . 4 ILE MD . . . 4 . HG11 . . . . . 4 . HD11 . . c17669_2ldj 1 25 3 OR . 1 1 2 2 LEU HB2 H . . . 1 1 2 2 LEU MD1 H . . . . . 0.472 0.000 6.000 . . . . . A . 2 LEU HB2 . . A . 2 LEU MD1 . . . 2 . HB1 . . . . . 2 . HD11 . . c17669_2ldj 1 26 1 OR . 1 1 10 10 Dgn HG2 H . . . 1 1 8 8 LYS HA H . . . . . 0.487 0.000 6.000 . . . . . A . 10 DGN HG2 . . A . 8 LYS HA . . . 10 . HG2 . . . . . 8 . HA . . c17669_2ldj 1 26 2 OR . 1 1 5 5 GLN HG3 H . . . 1 1 5 5 GLN HA H . . . . . 0.487 0.000 6.000 . . . . . A . 5 GLN HG3 . . A . 5 GLN HA . . . 5 . HG2 . . . . . 5 . HA . . c17669_2ldj 1 27 1 OR . 1 1 2 2 LEU HA H . . . 1 1 5 5 GLN HG3 H . . . . . 0.590 0.000 6.000 . . . . . A . 2 LEU HA . . A . 5 GLN HG3 . . . 2 . HA . . . . . 5 . HG2 . . c17669_2ldj 1 27 2 OR . 1 1 6 6 TRP HA H . . . 1 1 5 5 GLN HG3 H . . . . . 0.590 0.000 6.000 . . . . . A . 6 TRP HA . . A . 5 GLN HG3 . . . 6 . HA . . . . . 5 . HG2 . . c17669_2ldj 1 27 3 OR . 1 1 2 2 LEU HA H . . . 1 1 19 19 PRO HB2 H . . . . . 0.590 0.000 6.000 . . . . . A . 2 LEU HA . . A . 19 PRO HB2 . . . 2 . HA . . . . . 19 . HB1 . . c17669_2ldj 1 27 4 OR . 1 1 6 6 TRP HA H . . . 1 1 10 10 Dgn HG2 H . . . . . 0.590 0.000 6.000 . . . . . A . 6 TRP HA . . A . 10 DGN HG2 . . . 6 . HA . . . . . 10 . HG2 . . c17669_2ldj 1 28 1 OR . 1 1 5 5 GLN HG2 H . . . 1 1 5 5 GLN HE22 H . . . . . 0.621 0.000 6.000 . . . . . A . 5 GLN HG2 . . A . 5 GLN HE22 . . . 5 . HG1 . . . . . 5 . HE22 . . c17669_2ldj 1 28 2 OR . 1 1 18 18 PRO HA H . . . 1 1 6 6 TRP HE3 H . . . . . 0.621 0.000 6.000 . . . . . A . 18 PRO HA . . A . 6 TRP HE3 . . . 18 . HA . . . . . 6 . HE3 . . c17669_2ldj 1 29 1 OR . 1 1 6 6 TRP HA H . . . 1 1 18 18 PRO HA H . . . . . 0.629 0.000 6.000 . . . . . A . 6 TRP HA . . A . 18 PRO HA . . . 6 . HA . . . . . 18 . HA . . c17669_2ldj 1 29 2 OR . 1 1 2 2 LEU HA H . . . 1 1 18 18 PRO HA H . . . . . 0.629 0.000 6.000 . . . . . A . 2 LEU HA . . A . 18 PRO HA . . . 2 . HA . . . . . 18 . HA . . c17669_2ldj 1 29 3 OR . 1 1 6 6 TRP HA H . . . 1 1 5 5 GLN HG2 H . . . . . 0.629 0.000 6.000 . . . . . A . 6 TRP HA . . A . 5 GLN HG2 . . . 6 . HA . . . . . 5 . HG1 . . c17669_2ldj 1 29 4 OR . 1 1 2 2 LEU HA H . . . 1 1 5 5 GLN HG2 H . . . . . 0.629 0.000 6.000 . . . . . A . 2 LEU HA . . A . 5 GLN HG2 . . . 2 . HA . . . . . 5 . HG1 . . c17669_2ldj 1 30 1 OR . 1 1 20 20 SER H H . . . 1 1 5 5 GLN HG2 H . . . . . 0.751 0.000 6.000 . . . . . A . 20 SER H . . A . 5 GLN HG2 . . . 20 . HN . . . . . 5 . HG1 . . c17669_2ldj 1 30 2 OR . 1 1 6 6 TRP H H . . . 1 1 5 5 GLN HG2 H . . . . . 0.751 0.000 6.000 . . . . . A . 6 TRP H . . A . 5 GLN HG2 . . . 6 . HN . . . . . 5 . HG1 . . c17669_2ldj 1 31 1 OR . 1 1 5 5 GLN H H . . . 1 1 20 20 SER HA H . . . . . 0.665 0.000 6.000 . . . . . A . 5 GLN H . . A . 20 SER HA . . . 5 . HN . . . . . 20 . HA . . c17669_2ldj 1 31 2 OR . 1 1 6 6 TRP HA H . . . 1 1 5 5 GLN H H . . . . . 0.665 0.000 6.000 . . . . . A . 6 TRP HA . . A . 5 GLN H . . . 6 . HA . . . . . 5 . HN . . c17669_2ldj 1 31 3 OR . 1 1 2 2 LEU HA H . . . 1 1 5 5 GLN H H . . . . . 0.665 0.000 6.000 . . . . . A . 2 LEU HA . . A . 5 GLN H . . . 2 . HA . . . . . 5 . HN . . c17669_2ldj 1 32 1 OR . 1 1 6 6 TRP HD1 H . . . 1 1 19 19 PRO HD2 H . . . . . 0.548 0.000 6.000 . . . . . A . 6 TRP HD1 . . A . 19 PRO HD2 . . . 6 . HD1 . . . . . 19 . HD1 . . c17669_2ldj 1 32 2 OR . 1 1 6 6 TRP HD1 H . . . 1 1 6 6 TRP HB3 H . . . . . 0.548 0.000 6.000 . . . . . A . 6 TRP HD1 . . A . 6 TRP HB3 . . . 6 . HD1 . . . . . 6 . HB2 . . c17669_2ldj 1 32 3 OR . 1 1 6 6 TRP HD1 H . . . 1 1 3 3 TYR HB2 H . . . . . 0.548 0.000 6.000 . . . . . A . 6 TRP HD1 . . A . 3 TYR HB2 . . . 6 . HD1 . . . . . 3 . HB1 . . c17669_2ldj 1 32 4 OR . 1 1 6 6 TRP HD1 H . . . 1 1 3 3 TYR HB3 H . . . . . 0.548 0.000 6.000 . . . . . A . 6 TRP HD1 . . A . 3 TYR HB3 . . . 6 . HD1 . . . . . 3 . HB2 . . c17669_2ldj 1 33 1 OR . 1 1 3 3 TYR HB2 H . . . 1 1 6 6 TRP HE1 H . . . . . 0.760 0.000 6.000 . . . . . A . 3 TYR HB2 . . A . 6 TRP HE1 . . . 3 . HB1 . . . . . 6 . HE1 . . c17669_2ldj 1 33 2 OR . 1 1 3 3 TYR HB3 H . . . 1 1 6 6 TRP HE1 H . . . . . 0.760 0.000 6.000 . . . . . A . 3 TYR HB3 . . A . 6 TRP HE1 . . . 3 . HB2 . . . . . 6 . HE1 . . c17669_2ldj 1 33 3 OR . 1 1 19 19 PRO HD2 H . . . 1 1 6 6 TRP HE1 H . . . . . 0.760 0.000 6.000 . . . . . A . 19 PRO HD2 . . A . 6 TRP HE1 . . . 19 . HD1 . . . . . 6 . HE1 . . c17669_2ldj 1 34 1 OR . 1 1 7 7 LEU H H . . . 1 1 19 19 PRO HD2 H . . . . . 0.649 0.000 6.000 . . . . . A . 7 LEU H . . A . 19 PRO HD2 . . . 7 . HN . . . . . 19 . HD1 . . c17669_2ldj 1 34 2 OR . 1 1 7 7 LEU H H . . . 1 1 6 6 TRP HB3 H . . . . . 0.649 0.000 6.000 . . . . . A . 7 LEU H . . A . 6 TRP HB3 . . . 7 . HN . . . . . 6 . HB2 . . c17669_2ldj 1 35 1 OR . 1 1 6 6 TRP HE3 H . . . 1 1 6 6 TRP HB2 H . . . . . 0.517 0.000 6.000 . . . . . A . 6 TRP HE3 . . A . 6 TRP HB2 . . . 6 . HE3 . . . . . 6 . HB1 . . c17669_2ldj 1 35 2 OR . 1 1 5 5 GLN HE22 H . . . 1 1 6 6 TRP HB2 H . . . . . 0.517 0.000 6.000 . . . . . A . 5 GLN HE22 . . A . 6 TRP HB2 . . . 5 . HE22 . . . . . 6 . HB1 . . c17669_2ldj 1 36 1 OR . 1 1 6 6 TRP HD1 H . . . 1 1 6 6 TRP HE1 H . . . . . 0.520 0.000 6.000 . . . . . A . 6 TRP HD1 . . A . 6 TRP HE1 . . . 6 . HD1 . . . . . 6 . HE1 . . c17669_2ldj 1 36 2 OR . 1 1 3 3 TYR HD2 H . . . 1 1 6 6 TRP HE1 H . . . . . 0.520 0.000 6.000 . . . . . A . 3 TYR HD2 . . A . 6 TRP HE1 . . . 3 . HD2 . . . . . 6 . HE1 . . c17669_2ldj 1 36 3 OR . 1 1 3 3 TYR HD1 H . . . 1 1 6 6 TRP HE1 H . . . . . 0.520 0.000 6.000 . . . . . A . 3 TYR HD1 . . A . 6 TRP HE1 . . . 3 . HD1 . . . . . 6 . HE1 . . c17669_2ldj 1 37 1 OR . 1 1 3 3 TYR HD2 H . . . 1 1 16 16 ARG HE H . . . . . 0.684 0.000 6.000 . . . . . A . 3 TYR HD2 . . A . 16 ARG HE . . . 3 . HD2 . . . . . 16 . HE . . c17669_2ldj 1 37 2 OR . 1 1 3 3 TYR HD1 H . . . 1 1 16 16 ARG HE H . . . . . 0.684 0.000 6.000 . . . . . A . 3 TYR HD1 . . A . 16 ARG HE . . . 3 . HD1 . . . . . 16 . HE . . c17669_2ldj 1 37 3 OR . 1 1 6 6 TRP HD1 H . . . 1 1 16 16 ARG HE H . . . . . 0.684 0.000 6.000 . . . . . A . 6 TRP HD1 . . A . 16 ARG HE . . . 6 . HD1 . . . . . 16 . HE . . c17669_2ldj 1 38 1 OR . 1 1 6 6 TRP HE3 H . . . 1 1 6 6 TRP HH2 H . . . . . 5.743 1.621 9.865 . . . . . A . 6 TRP HE3 . . A . 6 TRP HH2 . . . 6 . HE3 . . . . . 6 . HH2 . . c17669_2ldj 1 38 2 OR . 1 1 5 5 GLN HE22 H . . . 1 1 6 6 TRP HH2 H . . . . . 5.743 1.621 9.865 . . . . . A . 5 GLN HE22 . . A . 6 TRP HH2 . . . 5 . HE22 . . . . . 6 . HH2 . . c17669_2ldj 1 39 1 OR . 1 1 6 6 TRP HE3 H . . . 1 1 6 6 TRP HZ3 H . . . . . 5.753 0.000 6.000 . . . . . A . 6 TRP HE3 . . A . 6 TRP HZ3 . . . 6 . HE3 . . . . . 6 . HZ3 . . c17669_2ldj 1 39 2 OR . 1 1 5 5 GLN HE22 H . . . 1 1 6 6 TRP HZ3 H . . . . . 5.753 0.000 6.000 . . . . . A . 5 GLN HE22 . . A . 6 TRP HZ3 . . . 5 . HE22 . . . . . 6 . HZ3 . . c17669_2ldj 1 40 1 OR . 1 1 7 7 LEU H H . . . 1 1 6 6 TRP HE3 H . . . . . 0.621 0.000 6.000 . . . . . A . 7 LEU H . . A . 6 TRP HE3 . . . 7 . HN . . . . . 6 . HE3 . . c17669_2ldj 1 40 2 OR . 1 1 7 7 LEU H H . . . 1 1 5 5 GLN HE22 H . . . . . 0.621 0.000 6.000 . . . . . A . 7 LEU H . . A . 5 GLN HE22 . . . 7 . HN . . . . . 5 . HE22 . . c17669_2ldj 1 41 1 OR . 1 1 6 6 TRP HE1 H . . . 1 1 6 6 TRP HZ2 H . . . . . 0.591 0.000 6.000 . . . . . A . 6 TRP HE1 . . A . 6 TRP HZ2 . . . 6 . HE1 . . . . . 6 . HZ2 . . c17669_2ldj 1 41 2 OR . 1 1 6 6 TRP HE1 H . . . 1 1 6 6 TRP HH2 H . . . . . 0.591 0.000 6.000 . . . . . A . 6 TRP HE1 . . A . 6 TRP HH2 . . . 6 . HE1 . . . . . 6 . HH2 . . c17669_2ldj 1 42 1 OR . 1 1 3 3 TYR HD1 H . . . 1 1 7 7 LEU HG H . . . . . 0.678 0.000 6.000 . . . . . A . 3 TYR HD1 . . A . 7 LEU HG . . . 3 . HD1 . . . . . 7 . HG . . c17669_2ldj 1 42 2 OR . 1 1 3 3 TYR HD2 H . . . 1 1 8 8 LYS HD3 H . . . . . 0.678 0.000 6.000 . . . . . A . 3 TYR HD2 . . A . 8 LYS HD3 . . . 3 . HD2 . . . . . 8 . HD2 . . c17669_2ldj 1 42 3 OR . 1 1 3 3 TYR HD1 H . . . 1 1 8 8 LYS HD3 H . . . . . 0.678 0.000 6.000 . . . . . A . 3 TYR HD1 . . A . 8 LYS HD3 . . . 3 . HD1 . . . . . 8 . HD2 . . c17669_2ldj 1 42 4 OR . 1 1 3 3 TYR HD1 H . . . 1 1 8 8 LYS HD2 H . . . . . 0.678 0.000 6.000 . . . . . A . 3 TYR HD1 . . A . 8 LYS HD2 . . . 3 . HD1 . . . . . 8 . HD1 . . c17669_2ldj 1 42 5 OR . 1 1 3 3 TYR HD2 H . . . 1 1 7 7 LEU HG H . . . . . 0.678 0.000 6.000 . . . . . A . 3 TYR HD2 . . A . 7 LEU HG . . . 3 . HD2 . . . . . 7 . HG . . c17669_2ldj 1 42 6 OR . 1 1 3 3 TYR HD2 H . . . 1 1 8 8 LYS HD2 H . . . . . 0.678 0.000 6.000 . . . . . A . 3 TYR HD2 . . A . 8 LYS HD2 . . . 3 . HD2 . . . . . 8 . HD1 . . c17669_2ldj 1 43 1 OR . 1 1 16 16 ARG HD2 H . . . 1 1 6 6 TRP HE3 H . . . . . 0.526 0.000 6.000 . . . . . A . 16 ARG HD2 . . A . 6 TRP HE3 . . . 16 . HD1 . . . . . 6 . HE3 . . c17669_2ldj 1 43 2 OR . 1 1 16 16 ARG HD3 H . . . 1 1 6 6 TRP HE3 H . . . . . 0.526 0.000 6.000 . . . . . A . 16 ARG HD3 . . A . 6 TRP HE3 . . . 16 . HD2 . . . . . 6 . HE3 . . c17669_2ldj 1 43 3 OR . 1 1 6 6 TRP HE3 H . . . 1 1 7 7 LEU HA H . . . . . 0.526 0.000 6.000 . . . . . A . 6 TRP HE3 . . A . 7 LEU HA . . . 6 . HE3 . . . . . 7 . HA . . c17669_2ldj 1 44 1 OR . 1 1 16 16 ARG HD2 H . . . 1 1 7 7 LEU H H . . . . . 0.578 0.000 6.000 . . . . . A . 16 ARG HD2 . . A . 7 LEU H . . . 16 . HD1 . . . . . 7 . HN . . c17669_2ldj 1 44 2 OR . 1 1 16 16 ARG HD3 H . . . 1 1 7 7 LEU H H . . . . . 0.578 0.000 6.000 . . . . . A . 16 ARG HD3 . . A . 7 LEU H . . . 16 . HD2 . . . . . 7 . HN . . c17669_2ldj 1 44 3 OR . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU HA H . . . . . 0.578 0.000 6.000 . . . . . A . 7 LEU H . . A . 7 LEU HA . . . 7 . HN . . . . . 7 . HA . . c17669_2ldj 1 45 1 OR . 1 1 7 7 LEU HA H . . . 1 1 8 8 LYS H H . . . . . 0.674 0.000 6.000 . . . . . A . 7 LEU HA . . A . 8 LYS H . . . 7 . HA . . . . . 8 . HN . . c17669_2ldj 1 45 2 OR . 1 1 16 16 ARG HD2 H . . . 1 1 8 8 LYS H H . . . . . 0.674 0.000 6.000 . . . . . A . 16 ARG HD2 . . A . 8 LYS H . . . 16 . HD1 . . . . . 8 . HN . . c17669_2ldj 1 45 3 OR . 1 1 16 16 ARG HD3 H . . . 1 1 8 8 LYS H H . . . . . 0.674 0.000 6.000 . . . . . A . 16 ARG HD3 . . A . 8 LYS H . . . 16 . HD2 . . . . . 8 . HN . . c17669_2ldj 1 46 1 OR . 1 1 16 16 ARG HD2 H . . . 1 1 9 9 ASP H H . . . . . 0.818 0.000 6.000 . . . . . A . 16 ARG HD2 . . A . 9 ASP H . . . 16 . HD1 . . . . . 9 . HN . . c17669_2ldj 1 46 2 OR . 1 1 16 16 ARG HD3 H . . . 1 1 9 9 ASP H H . . . . . 0.818 0.000 6.000 . . . . . A . 16 ARG HD3 . . A . 9 ASP H . . . 16 . HD2 . . . . . 9 . HN . . c17669_2ldj 1 46 3 OR . 1 1 7 7 LEU HA H . . . 1 1 9 9 ASP H H . . . . . 0.818 0.000 6.000 . . . . . A . 7 LEU HA . . A . 9 ASP H . . . 7 . HA . . . . . 9 . HN . . c17669_2ldj 1 47 1 OR . 1 1 7 7 LEU HA H . . . 1 1 11 11 GLY H H . . . . . 0.549 0.000 6.000 . . . . . A . 7 LEU HA . . A . 11 GLY H . . . 7 . HA . . . . . 11 . HN . . c17669_2ldj 1 47 2 OR . 1 1 16 16 ARG HD2 H . . . 1 1 11 11 GLY H H . . . . . 0.549 0.000 6.000 . . . . . A . 16 ARG HD2 . . A . 11 GLY H . . . 16 . HD1 . . . . . 11 . HN . . c17669_2ldj 1 47 3 OR . 1 1 16 16 ARG HD3 H . . . 1 1 11 11 GLY H H . . . . . 0.549 0.000 6.000 . . . . . A . 16 ARG HD3 . . A . 11 GLY H . . . 16 . HD2 . . . . . 11 . HN . . c17669_2ldj 1 48 1 OR . 1 1 6 6 TRP HE3 H . . . 1 1 7 7 LEU HB3 H . . . . . 0.542 0.000 6.000 . . . . . A . 6 TRP HE3 . . A . 7 LEU HB3 . . . 6 . HE3 . . . . . 7 . HB2 . . c17669_2ldj 1 48 2 OR . 1 1 5 5 GLN HE22 H . . . 1 1 8 8 LYS HB2 H . . . . . 0.542 0.000 6.000 . . . . . A . 5 GLN HE22 . . A . 8 LYS HB2 . . . 5 . HE22 . . . . . 8 . HB1 . . c17669_2ldj 1 48 3 OR . 1 1 5 5 GLN HE22 H . . . 1 1 8 8 LYS HB3 H . . . . . 0.542 0.000 6.000 . . . . . A . 5 GLN HE22 . . A . 8 LYS HB3 . . . 5 . HE22 . . . . . 8 . HB2 . . c17669_2ldj 1 49 1 OR . 1 1 4 4 ILE HA H . . . 1 1 18 18 PRO HB3 H . . . . . 0.629 0.000 6.000 . . . . . A . 4 ILE HA . . A . 18 PRO HB3 . . . 4 . HA . . . . . 18 . HB2 . . c17669_2ldj 1 49 2 OR . 1 1 4 4 ILE HA H . . . 1 1 7 7 LEU HB2 H . . . . . 0.629 0.000 6.000 . . . . . A . 4 ILE HA . . A . 7 LEU HB2 . . . 4 . HA . . . . . 7 . HB1 . . c17669_2ldj 1 50 1 OR . 1 1 7 7 LEU HA H . . . 1 1 18 18 PRO HB3 H . . . . . 0.511 0.000 6.000 . . . . . A . 7 LEU HA . . A . 18 PRO HB3 . . . 7 . HA . . . . . 18 . HB2 . . c17669_2ldj 1 50 2 OR . 1 1 7 7 LEU HA H . . . 1 1 7 7 LEU HB2 H . . . . . 0.511 0.000 6.000 . . . . . A . 7 LEU HA . . A . 7 LEU HB2 . . . 7 . HA . . . . . 7 . HB1 . . c17669_2ldj 1 51 1 OR . 1 1 4 4 ILE MD H . . . 1 1 3 3 TYR HD1 H . . . . . 0.555 0.000 6.000 . . . . . A . 4 ILE MD . . A . 3 TYR HD1 . . . 4 . HD11 . . . . . 3 . HD1 . . c17669_2ldj 1 51 2 OR . 1 1 2 2 LEU MD1 H . . . 1 1 3 3 TYR HD1 H . . . . . 0.555 0.000 6.000 . . . . . A . 2 LEU MD1 . . A . 3 TYR HD1 . . . 2 . HD11 . . . . . 3 . HD1 . . c17669_2ldj 1 51 3 OR . 1 1 4 4 ILE MD H . . . 1 1 3 3 TYR HD2 H . . . . . 0.555 0.000 6.000 . . . . . A . 4 ILE MD . . A . 3 TYR HD2 . . . 4 . HD11 . . . . . 3 . HD2 . . c17669_2ldj 1 51 4 OR . 1 1 2 2 LEU MD2 H . . . 1 1 3 3 TYR HD1 H . . . . . 0.555 0.000 6.000 . . . . . A . 2 LEU MD2 . . A . 3 TYR HD1 . . . 2 . HD21 . . . . . 3 . HD1 . . c17669_2ldj 1 51 5 OR . 1 1 2 2 LEU MD1 H . . . 1 1 3 3 TYR HD2 H . . . . . 0.555 0.000 6.000 . . . . . A . 2 LEU MD1 . . A . 3 TYR HD2 . . . 2 . HD11 . . . . . 3 . HD2 . . c17669_2ldj 1 51 6 OR . 1 1 2 2 LEU MD2 H . . . 1 1 3 3 TYR HD2 H . . . . . 0.555 0.000 6.000 . . . . . A . 2 LEU MD2 . . A . 3 TYR HD2 . . . 2 . HD21 . . . . . 3 . HD2 . . c17669_2ldj 1 52 1 OR . 1 1 4 4 ILE MD H . . . 1 1 3 3 TYR HE1 H . . . . . 0.525 0.000 6.000 . . . . . A . 4 ILE MD . . A . 3 TYR HE1 . . . 4 . HD11 . . . . . 3 . HE1 . . c17669_2ldj 1 52 2 OR . 1 1 2 2 LEU MD1 H . . . 1 1 3 3 TYR HE2 H . . . . . 0.525 0.000 6.000 . . . . . A . 2 LEU MD1 . . A . 3 TYR HE2 . . . 2 . HD11 . . . . . 3 . HE2 . . c17669_2ldj 1 52 3 OR . 1 1 2 2 LEU MD2 H . . . 1 1 3 3 TYR HE2 H . . . . . 0.525 0.000 6.000 . . . . . A . 2 LEU MD2 . . A . 3 TYR HE2 . . . 2 . HD21 . . . . . 3 . HE2 . . c17669_2ldj 1 52 4 OR . 1 1 4 4 ILE MD H . . . 1 1 3 3 TYR HE2 H . . . . . 0.525 0.000 6.000 . . . . . A . 4 ILE MD . . A . 3 TYR HE2 . . . 4 . HD11 . . . . . 3 . HE2 . . c17669_2ldj 1 52 5 OR . 1 1 2 2 LEU MD1 H . . . 1 1 3 3 TYR HE1 H . . . . . 0.525 0.000 6.000 . . . . . A . 2 LEU MD1 . . A . 3 TYR HE1 . . . 2 . HD11 . . . . . 3 . HE1 . . c17669_2ldj 1 52 6 OR . 1 1 2 2 LEU MD2 H . . . 1 1 3 3 TYR HE1 H . . . . . 0.525 0.000 6.000 . . . . . A . 2 LEU MD2 . . A . 3 TYR HE1 . . . 2 . HD21 . . . . . 3 . HE1 . . c17669_2ldj 1 53 1 OR . 1 1 4 4 ILE MD H . . . 1 1 6 6 TRP HE3 H . . . . . 0.655 0.000 6.000 . . . . . A . 4 ILE MD . . A . 6 TRP HE3 . . . 4 . HD11 . . . . . 6 . HE3 . . c17669_2ldj 1 53 2 OR . 1 1 2 2 LEU MD2 H . . . 1 1 5 5 GLN HE22 H . . . . . 0.655 0.000 6.000 . . . . . A . 2 LEU MD2 . . A . 5 GLN HE22 . . . 2 . HD21 . . . . . 5 . HE22 . . c17669_2ldj 1 53 3 OR . 1 1 2 2 LEU MD1 H . . . 1 1 5 5 GLN HE22 H . . . . . 0.655 0.000 6.000 . . . . . A . 2 LEU MD1 . . A . 5 GLN HE22 . . . 2 . HD11 . . . . . 5 . HE22 . . c17669_2ldj 1 53 4 OR . 1 1 4 4 ILE MD H . . . 1 1 5 5 GLN HE22 H . . . . . 0.655 0.000 6.000 . . . . . A . 4 ILE MD . . A . 5 GLN HE22 . . . 4 . HD11 . . . . . 5 . HE22 . . c17669_2ldj 1 54 1 OR . 1 1 2 2 LEU MD2 H . . . 1 1 6 6 TRP HZ3 H . . . . . 0.713 0.000 6.000 . . . . . A . 2 LEU MD2 . . A . 6 TRP HZ3 . . . 2 . HD21 . . . . . 6 . HZ3 . . c17669_2ldj 1 54 2 OR . 1 1 2 2 LEU MD1 H . . . 1 1 6 6 TRP HZ3 H . . . . . 0.713 0.000 6.000 . . . . . A . 2 LEU MD1 . . A . 6 TRP HZ3 . . . 2 . HD11 . . . . . 6 . HZ3 . . c17669_2ldj 1 54 3 OR . 1 1 4 4 ILE MD H . . . 1 1 6 6 TRP HZ3 H . . . . . 0.713 0.000 6.000 . . . . . A . 4 ILE MD . . A . 6 TRP HZ3 . . . 4 . HD11 . . . . . 6 . HZ3 . . c17669_2ldj 1 55 1 OR . 1 1 4 4 ILE MD H . . . 1 1 7 7 LEU HA H . . . . . 0.605 0.000 6.000 . . . . . A . 4 ILE MD . . A . 7 LEU HA . . . 4 . HD11 . . . . . 7 . HA . . c17669_2ldj 1 55 2 OR . 1 1 2 2 LEU MD2 H . . . 1 1 7 7 LEU HA H . . . . . 0.605 0.000 6.000 . . . . . A . 2 LEU MD2 . . A . 7 LEU HA . . . 2 . HD21 . . . . . 7 . HA . . c17669_2ldj 1 55 3 OR . 1 1 2 2 LEU MD1 H . . . 1 1 7 7 LEU HA H . . . . . 0.605 0.000 6.000 . . . . . A . 2 LEU MD1 . . A . 7 LEU HA . . . 2 . HD11 . . . . . 7 . HA . . c17669_2ldj 1 56 1 OR . 1 1 4 4 ILE MD H . . . 1 1 7 7 LEU HB2 H . . . . . 0.501 0.000 6.000 . . . . . A . 4 ILE MD . . A . 7 LEU HB2 . . . 4 . HD11 . . . . . 7 . HB1 . . c17669_2ldj 1 56 2 OR . 1 1 4 4 ILE MD H . . . 1 1 18 18 PRO HB3 H . . . . . 0.501 0.000 6.000 . . . . . A . 4 ILE MD . . A . 18 PRO HB3 . . . 4 . HD11 . . . . . 18 . HB2 . . c17669_2ldj 1 57 1 OR . 1 1 2 2 LEU MD2 H . . . 1 1 7 7 LEU HG H . . . . . 0.469 0.000 6.000 . . . . . A . 2 LEU MD2 . . A . 7 LEU HG . . . 2 . HD21 . . . . . 7 . HG . . c17669_2ldj 1 57 2 OR . 1 1 4 4 ILE MD H . . . 1 1 7 7 LEU HG H . . . . . 0.469 0.000 6.000 . . . . . A . 4 ILE MD . . A . 7 LEU HG . . . 4 . HD11 . . . . . 7 . HG . . c17669_2ldj 1 57 3 OR . 1 1 2 2 LEU MD1 H . . . 1 1 7 7 LEU HG H . . . . . 0.469 0.000 6.000 . . . . . A . 2 LEU MD1 . . A . 7 LEU HG . . . 2 . HD11 . . . . . 7 . HG . . c17669_2ldj 1 58 1 OR . 1 1 2 2 LEU MD2 H . . . 1 1 7 7 LEU H H . . . . . 0.655 0.000 6.000 . . . . . A . 2 LEU MD2 . . A . 7 LEU H . . . 2 . HD21 . . . . . 7 . HN . . c17669_2ldj 1 58 2 OR . 1 1 2 2 LEU MD1 H . . . 1 1 7 7 LEU H H . . . . . 0.655 0.000 6.000 . . . . . A . 2 LEU MD1 . . A . 7 LEU H . . . 2 . HD11 . . . . . 7 . HN . . c17669_2ldj 1 58 3 OR . 1 1 4 4 ILE MD H . . . 1 1 7 7 LEU H H . . . . . 0.655 0.000 6.000 . . . . . A . 4 ILE MD . . A . 7 LEU H . . . 4 . HD11 . . . . . 7 . HN . . c17669_2ldj 1 59 1 OR . 1 1 2 2 LEU MD1 H . . . 1 1 8 8 LYS H H . . . . . 0.708 0.000 6.000 . . . . . A . 2 LEU MD1 . . A . 8 LYS H . . . 2 . HD11 . . . . . 8 . HN . . c17669_2ldj 1 59 2 OR . 1 1 2 2 LEU MD2 H . . . 1 1 8 8 LYS H H . . . . . 0.708 0.000 6.000 . . . . . A . 2 LEU MD2 . . A . 8 LYS H . . . 2 . HD21 . . . . . 8 . HN . . c17669_2ldj 1 59 3 OR . 1 1 4 4 ILE MD H . . . 1 1 8 8 LYS H H . . . . . 0.708 0.000 6.000 . . . . . A . 4 ILE MD . . A . 8 LYS H . . . 4 . HD11 . . . . . 8 . HN . . c17669_2ldj 1 60 1 OR . 1 1 6 6 TRP HE3 H . . . 1 1 7 7 LEU MD1 H . . . . . 0.552 0.000 6.000 . . . . . A . 6 TRP HE3 . . A . 7 LEU MD1 . . . 6 . HE3 . . . . . 7 . HD11 . . c17669_2ldj 1 60 2 OR . 1 1 5 5 GLN HE22 H . . . 1 1 7 7 LEU MD1 H . . . . . 0.552 0.000 6.000 . . . . . A . 5 GLN HE22 . . A . 7 LEU MD1 . . . 5 . HE22 . . . . . 7 . HD11 . . c17669_2ldj 1 60 3 OR . 1 1 5 5 GLN HE22 H . . . 1 1 7 7 LEU MD2 H . . . . . 0.552 0.000 6.000 . . . . . A . 5 GLN HE22 . . A . 7 LEU MD2 . . . 5 . HE22 . . . . . 7 . HD21 . . c17669_2ldj 1 60 4 OR . 1 1 6 6 TRP HE3 H . . . 1 1 7 7 LEU MD2 H . . . . . 0.552 0.000 6.000 . . . . . A . 6 TRP HE3 . . A . 7 LEU MD2 . . . 6 . HE3 . . . . . 7 . HD21 . . c17669_2ldj 1 61 1 OR . 1 1 7 7 LEU MD1 H . . . 1 1 12 12 PRO HD3 H . . . . . 0.631 0.000 6.000 . . . . . A . 7 LEU MD1 . . A . 12 PRO HD3 . . . 7 . HD11 . . . . . 12 . HD2 . . c17669_2ldj 1 61 2 OR . 1 1 7 7 LEU MD2 H . . . 1 1 12 12 PRO HD3 H . . . . . 0.631 0.000 6.000 . . . . . A . 7 LEU MD2 . . A . 12 PRO HD3 . . . 7 . HD21 . . . . . 12 . HD2 . . c17669_2ldj 1 61 3 OR . 1 1 7 7 LEU MD1 H . . . 1 1 14 14 SER HB2 H . . . . . 0.631 0.000 6.000 . . . . . A . 7 LEU MD1 . . A . 14 SER HB2 . . . 7 . HD11 . . . . . 14 . HB1 . . c17669_2ldj 1 61 4 OR . 1 1 7 7 LEU MD2 H . . . 1 1 14 14 SER HB2 H . . . . . 0.631 0.000 6.000 . . . . . A . 7 LEU MD2 . . A . 14 SER HB2 . . . 7 . HD21 . . . . . 14 . HB1 . . c17669_2ldj 1 62 1 OR . 1 1 7 7 LEU MD2 H . . . 1 1 18 18 PRO HD2 H . . . . . 0.704 0.000 6.000 . . . . . A . 7 LEU MD2 . . A . 18 PRO HD2 . . . 7 . HD21 . . . . . 18 . HD1 . . c17669_2ldj 1 62 2 OR . 1 1 7 7 LEU MD1 H . . . 1 1 18 18 PRO HD2 H . . . . . 0.704 0.000 6.000 . . . . . A . 7 LEU MD1 . . A . 18 PRO HD2 . . . 7 . HD11 . . . . . 18 . HD1 . . c17669_2ldj 1 62 3 OR . 1 1 7 7 LEU MD2 H . . . 1 1 12 12 PRO HD2 H . . . . . 0.704 0.000 6.000 . . . . . A . 7 LEU MD2 . . A . 12 PRO HD2 . . . 7 . HD21 . . . . . 12 . HD1 . . c17669_2ldj 1 62 4 OR . 1 1 7 7 LEU MD1 H . . . 1 1 12 12 PRO HD2 H . . . . . 0.704 0.000 6.000 . . . . . A . 7 LEU MD1 . . A . 12 PRO HD2 . . . 7 . HD11 . . . . . 12 . HD1 . . c17669_2ldj 1 62 5 OR . 1 1 7 7 LEU MD2 H . . . 1 1 18 18 PRO HD3 H . . . . . 0.704 0.000 6.000 . . . . . A . 7 LEU MD2 . . A . 18 PRO HD3 . . . 7 . HD21 . . . . . 18 . HD2 . . c17669_2ldj 1 62 6 OR . 1 1 7 7 LEU MD1 H . . . 1 1 18 18 PRO HD3 H . . . . . 0.704 0.000 6.000 . . . . . A . 7 LEU MD1 . . A . 18 PRO HD3 . . . 7 . HD11 . . . . . 18 . HD2 . . c17669_2ldj 1 63 1 OR . 1 1 4 4 ILE HA H . . . 1 1 7 7 LEU HG H . . . . . 0.624 0.000 6.000 . . . . . A . 4 ILE HA . . A . 7 LEU HG . . . 4 . HA . . . . . 7 . HG . . c17669_2ldj 1 63 2 OR . 1 1 4 4 ILE HA H . . . 1 1 8 8 LYS HD2 H . . . . . 0.624 0.000 6.000 . . . . . A . 4 ILE HA . . A . 8 LYS HD2 . . . 4 . HA . . . . . 8 . HD1 . . c17669_2ldj 1 63 3 OR . 1 1 4 4 ILE HA H . . . 1 1 8 8 LYS HD3 H . . . . . 0.624 0.000 6.000 . . . . . A . 4 ILE HA . . A . 8 LYS HD3 . . . 4 . HA . . . . . 8 . HD2 . . c17669_2ldj 1 63 4 OR . 1 1 4 4 ILE HA H . . . 1 1 8 8 LYS HG3 H . . . . . 0.624 0.000 6.000 . . . . . A . 4 ILE HA . . A . 8 LYS HG3 . . . 4 . HA . . . . . 8 . HG2 . . c17669_2ldj 1 64 1 OR . 1 1 5 5 GLN HE22 H . . . 1 1 8 8 LYS HD2 H . . . . . 0.513 0.000 6.000 . . . . . A . 5 GLN HE22 . . A . 8 LYS HD2 . . . 5 . HE22 . . . . . 8 . HD1 . . c17669_2ldj 1 64 2 OR . 1 1 5 5 GLN HE22 H . . . 1 1 8 8 LYS HD3 H . . . . . 0.513 0.000 6.000 . . . . . A . 5 GLN HE22 . . A . 8 LYS HD3 . . . 5 . HE22 . . . . . 8 . HD2 . . c17669_2ldj 1 64 3 OR . 1 1 6 6 TRP HE3 H . . . 1 1 7 7 LEU HG H . . . . . 0.513 0.000 6.000 . . . . . A . 6 TRP HE3 . . A . 7 LEU HG . . . 6 . HE3 . . . . . 7 . HG . . c17669_2ldj 1 65 1 OR . 1 1 6 6 TRP HZ3 H . . . 1 1 8 8 LYS HD2 H . . . . . 0.690 0.000 6.000 . . . . . A . 6 TRP HZ3 . . A . 8 LYS HD2 . . . 6 . HZ3 . . . . . 8 . HD1 . . c17669_2ldj 1 65 2 OR . 1 1 6 6 TRP HZ3 H . . . 1 1 8 8 LYS HD3 H . . . . . 0.690 0.000 6.000 . . . . . A . 6 TRP HZ3 . . A . 8 LYS HD3 . . . 6 . HZ3 . . . . . 8 . HD2 . . c17669_2ldj 1 65 3 OR . 1 1 6 6 TRP HZ3 H . . . 1 1 7 7 LEU HG H . . . . . 0.690 0.000 6.000 . . . . . A . 6 TRP HZ3 . . A . 7 LEU HG . . . 6 . HZ3 . . . . . 7 . HG . . c17669_2ldj 1 66 1 OR . 1 1 7 7 LEU HA H . . . 1 1 8 8 LYS HG3 H . . . . . 0.584 0.000 6.000 . . . . . A . 7 LEU HA . . A . 8 LYS HG3 . . . 7 . HA . . . . . 8 . HG2 . . c17669_2ldj 1 66 2 OR . 1 1 7 7 LEU HG H . . . 1 1 7 7 LEU HA H . . . . . 0.584 0.000 6.000 . . . . . A . 7 LEU HG . . A . 7 LEU HA . . . 7 . HG . . . . . 7 . HA . . c17669_2ldj 1 67 1 OR . 1 1 8 8 LYS HA H . . . 1 1 8 8 LYS HB2 H . . . . . 0.425 0.000 6.000 . . . . . A . 8 LYS HA . . A . 8 LYS HB2 . . . 8 . HA . . . . . 8 . HB1 . . c17669_2ldj 1 67 2 OR . 1 1 8 8 LYS HA H . . . 1 1 8 8 LYS HB3 H . . . . . 0.425 0.000 6.000 . . . . . A . 8 LYS HA . . A . 8 LYS HB3 . . . 8 . HA . . . . . 8 . HB2 . . c17669_2ldj 1 67 3 OR . 1 1 5 5 GLN HA H . . . 1 1 7 7 LEU HB3 H . . . . . 0.425 0.000 6.000 . . . . . A . 5 GLN HA . . A . 7 LEU HB3 . . . 5 . HA . . . . . 7 . HB2 . . c17669_2ldj 1 68 1 OR . 1 1 9 9 ASP H H . . . 1 1 7 7 LEU HB3 H . . . . . 0.546 0.000 6.000 . . . . . A . 9 ASP H . . A . 7 LEU HB3 . . . 9 . HN . . . . . 7 . HB2 . . c17669_2ldj 1 68 2 OR . 1 1 9 9 ASP H H . . . 1 1 8 8 LYS HB2 H . . . . . 0.546 0.000 6.000 . . . . . A . 9 ASP H . . A . 8 LYS HB2 . . . 9 . HN . . . . . 8 . HB1 . . c17669_2ldj 1 68 3 OR . 1 1 9 9 ASP H H . . . 1 1 8 8 LYS HB3 H . . . . . 0.546 0.000 6.000 . . . . . A . 9 ASP H . . A . 8 LYS HB3 . . . 9 . HN . . . . . 8 . HB2 . . c17669_2ldj 1 69 1 OR . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HG3 H . . . . . 0.620 0.000 6.000 . . . . . A . 8 LYS H . . A . 8 LYS HG3 . . . 8 . HN . . . . . 8 . HG2 . . c17669_2ldj 1 69 2 OR . 1 1 7 7 LEU HG H . . . 1 1 8 8 LYS H H . . . . . 0.620 0.000 6.000 . . . . . A . 7 LEU HG . . A . 8 LYS H . . . 7 . HG . . . . . 8 . HN . . c17669_2ldj 1 70 1 OR . 1 1 8 8 LYS HG2 H . . . 1 1 8 8 LYS HE2 H . . . . . 0.670 0.000 6.000 . . . . . A . 8 LYS HG2 . . A . 8 LYS HE2 . . . 8 . HG1 . . . . . 8 . HE1 . . c17669_2ldj 1 70 2 OR . 1 1 8 8 LYS HG2 H . . . 1 1 8 8 LYS HE3 H . . . . . 0.670 0.000 6.000 . . . . . A . 8 LYS HG2 . . A . 8 LYS HE3 . . . 8 . HG1 . . . . . 8 . HE2 . . c17669_2ldj 1 70 3 OR . 1 1 4 4 ILE HG12 H . . . 1 1 8 8 LYS HE2 H . . . . . 0.670 0.000 6.000 . . . . . A . 4 ILE HG12 . . A . 8 LYS HE2 . . . 4 . HG11 . . . . . 8 . HE1 . . c17669_2ldj 1 70 4 OR . 1 1 4 4 ILE HG12 H . . . 1 1 8 8 LYS HE3 H . . . . . 0.670 0.000 6.000 . . . . . A . 4 ILE HG12 . . A . 8 LYS HE3 . . . 4 . HG11 . . . . . 8 . HE2 . . c17669_2ldj 1 71 1 OR . 1 1 8 8 LYS HG2 H . . . 1 1 8 8 LYS H H . . . . . 0.734 0.000 6.000 . . . . . A . 8 LYS HG2 . . A . 8 LYS H . . . 8 . HG1 . . . . . 8 . HN . . c17669_2ldj 1 71 2 OR . 1 1 2 2 LEU HB2 H . . . 1 1 8 8 LYS H H . . . . . 0.734 0.000 6.000 . . . . . A . 2 LEU HB2 . . A . 8 LYS H . . . 2 . HB1 . . . . . 8 . HN . . c17669_2ldj 1 72 1 OR . 1 1 6 6 TRP HA H . . . 1 1 9 9 ASP HB3 H . . . . . 0.614 0.000 6.000 . . . . . A . 6 TRP HA . . A . 9 ASP HB3 . . . 6 . HA . . . . . 9 . HB2 . . c17669_2ldj 1 72 2 OR . 1 1 6 6 TRP HA H . . . 1 1 19 19 PRO HD3 H . . . . . 0.614 0.000 6.000 . . . . . A . 6 TRP HA . . A . 19 PRO HD3 . . . 6 . HA . . . . . 19 . HD2 . . c17669_2ldj 1 72 3 OR . 1 1 2 2 LEU HA H . . . 1 1 19 19 PRO HD3 H . . . . . 0.614 0.000 6.000 . . . . . A . 2 LEU HA . . A . 19 PRO HD3 . . . 2 . HA . . . . . 19 . HD2 . . c17669_2ldj 1 73 1 OR . 1 1 14 14 SER HB2 H . . . 1 1 9 9 ASP HB2 H . . . . . 0.574 0.000 6.000 . . . . . A . 14 SER HB2 . . A . 9 ASP HB2 . . . 14 . HB1 . . . . . 9 . HB1 . . c17669_2ldj 1 73 2 OR . 1 1 12 12 PRO HD3 H . . . 1 1 9 9 ASP HB2 H . . . . . 0.574 0.000 6.000 . . . . . A . 12 PRO HD3 . . A . 9 ASP HB2 . . . 12 . HD2 . . . . . 9 . HB1 . . c17669_2ldj 1 74 1 OR . 1 1 20 20 SER H H . . . 1 1 7 7 LEU H H . . . . . 0.972 0.000 6.000 . . . . . A . 20 SER H . . A . 7 LEU H . . . 20 . HN . . . . . 7 . HN . . c17669_2ldj 1 74 2 OR . 1 1 7 7 LEU H H . . . 1 1 9 9 ASP H H . . . . . 0.972 0.000 6.000 . . . . . A . 7 LEU H . . A . 9 ASP H . . . 7 . HN . . . . . 9 . HN . . c17669_2ldj 1 75 1 OR . 1 1 19 19 PRO HB2 H . . . 1 1 3 3 TYR HE2 H . . . . . 0.828 0.000 6.000 . . . . . A . 19 PRO HB2 . . A . 3 TYR HE2 . . . 19 . HB1 . . . . . 3 . HE2 . . c17669_2ldj 1 75 2 OR . 1 1 19 19 PRO HB2 H . . . 1 1 3 3 TYR HE1 H . . . . . 0.828 0.000 6.000 . . . . . A . 19 PRO HB2 . . A . 3 TYR HE1 . . . 19 . HB1 . . . . . 3 . HE1 . . c17669_2ldj 1 75 3 OR . 1 1 10 10 Dgn HB2 H . . . 1 1 10 10 Dgn HE22 H . . . . . 0.828 0.000 6.000 . . . . . A . 10 DGN HB2 . . A . 10 DGN HE22 . . . 10 . HB2 . . . . . 10 . HE22 . . c17669_2ldj 1 76 1 OR . 1 1 9 9 ASP HA H . . . 1 1 12 12 PRO HG3 H . . . . . 0.670 0.000 6.000 . . . . . A . 9 ASP HA . . A . 12 PRO HG3 . . . 9 . HA . . . . . 12 . HG2 . . c17669_2ldj 1 76 2 OR . 1 1 10 10 Dgn HG3 H . . . 1 1 9 9 ASP HA H . . . . . 0.670 0.000 6.000 . . . . . A . 10 DGN HG3 . . A . 9 ASP HA . . . 10 . HG1 . . . . . 9 . HA . . c17669_2ldj 1 77 1 OR . 1 1 14 14 SER HB2 H . . . 1 1 11 11 GLY HA3 H . . . . . 0.601 0.000 6.000 . . . . . A . 14 SER HB2 . . A . 11 GLY HA3 . . . 14 . HB1 . . . . . 11 . HA2 . . c17669_2ldj 1 77 2 OR . 1 1 12 12 PRO HD3 H . . . 1 1 11 11 GLY HA3 H . . . . . 0.601 0.000 6.000 . . . . . A . 12 PRO HD3 . . A . 11 GLY HA3 . . . 12 . HD2 . . . . . 11 . HA2 . . c17669_2ldj 1 78 1 OR . 1 1 3 3 TYR HB2 H . . . 1 1 6 6 TRP HH2 H . . . . . 0.666 0.000 6.000 . . . . . A . 3 TYR HB2 . . A . 6 TRP HH2 . . . 3 . HB1 . . . . . 6 . HH2 . . c17669_2ldj 1 78 2 OR . 1 1 6 6 TRP HB3 H . . . 1 1 6 6 TRP HH2 H . . . . . 0.666 0.000 6.000 . . . . . A . 6 TRP HB3 . . A . 6 TRP HH2 . . . 6 . HB2 . . . . . 6 . HH2 . . c17669_2ldj 1 78 3 OR . 1 1 3 3 TYR HB3 H . . . 1 1 6 6 TRP HH2 H . . . . . 0.666 0.000 6.000 . . . . . A . 3 TYR HB3 . . A . 6 TRP HH2 . . . 3 . HB2 . . . . . 6 . HH2 . . c17669_2ldj 1 78 4 OR . 1 1 19 19 PRO HD2 H . . . 1 1 6 6 TRP HH2 H . . . . . 0.666 0.000 6.000 . . . . . A . 19 PRO HD2 . . A . 6 TRP HH2 . . . 19 . HD1 . . . . . 6 . HH2 . . c17669_2ldj 1 79 1 OR . 1 1 3 3 TYR HB2 H . . . 1 1 6 6 TRP HZ2 H . . . . . 0.695 0.000 6.000 . . . . . A . 3 TYR HB2 . . A . 6 TRP HZ2 . . . 3 . HB1 . . . . . 6 . HZ2 . . c17669_2ldj 1 79 2 OR . 1 1 3 3 TYR HB3 H . . . 1 1 6 6 TRP HZ2 H . . . . . 0.695 0.000 6.000 . . . . . A . 3 TYR HB3 . . A . 6 TRP HZ2 . . . 3 . HB2 . . . . . 6 . HZ2 . . c17669_2ldj 1 79 3 OR . 1 1 19 19 PRO HD2 H . . . 1 1 6 6 TRP HZ2 H . . . . . 0.695 0.000 6.000 . . . . . A . 19 PRO HD2 . . A . 6 TRP HZ2 . . . 19 . HD1 . . . . . 6 . HZ2 . . c17669_2ldj 1 80 1 OR . 1 1 6 6 TRP HB3 H . . . 1 1 6 6 TRP HZ3 H . . . . . 0.635 0.000 6.000 . . . . . A . 6 TRP HB3 . . A . 6 TRP HZ3 . . . 6 . HB2 . . . . . 6 . HZ3 . . c17669_2ldj 1 80 2 OR . 1 1 3 3 TYR HB2 H . . . 1 1 6 6 TRP HZ3 H . . . . . 0.635 0.000 6.000 . . . . . A . 3 TYR HB2 . . A . 6 TRP HZ3 . . . 3 . HB1 . . . . . 6 . HZ3 . . c17669_2ldj 1 80 3 OR . 1 1 3 3 TYR HB3 H . . . 1 1 6 6 TRP HZ3 H . . . . . 0.635 0.000 6.000 . . . . . A . 3 TYR HB3 . . A . 6 TRP HZ3 . . . 3 . HB2 . . . . . 6 . HZ3 . . c17669_2ldj 1 81 1 OR . 1 1 14 14 SER HB2 H . . . 1 1 11 11 GLY HA2 H . . . . . 0.487 0.000 6.000 . . . . . A . 14 SER HB2 . . A . 11 GLY HA2 . . . 14 . HB1 . . . . . 11 . HA1 . . c17669_2ldj 1 81 2 OR . 1 1 12 12 PRO HD3 H . . . 1 1 11 11 GLY HA2 H . . . . . 0.487 0.000 6.000 . . . . . A . 12 PRO HD3 . . A . 11 GLY HA2 . . . 12 . HD2 . . . . . 11 . HA1 . . c17669_2ldj 1 82 1 OR . 1 1 19 19 PRO HD2 H . . . 1 1 18 18 PRO HD2 H . . . . . 0.484 0.000 6.000 . . . . . A . 19 PRO HD2 . . A . 18 PRO HD2 . . . 19 . HD1 . . . . . 18 . HD1 . . c17669_2ldj 1 82 2 OR . 1 1 19 19 PRO HD2 H . . . 1 1 18 18 PRO HD3 H . . . . . 0.484 0.000 6.000 . . . . . A . 19 PRO HD2 . . A . 18 PRO HD3 . . . 19 . HD1 . . . . . 18 . HD2 . . c17669_2ldj 1 82 3 OR . 1 1 12 12 PRO HD2 H . . . 1 1 11 11 GLY HA2 H . . . . . 0.484 0.000 6.000 . . . . . A . 12 PRO HD2 . . A . 11 GLY HA2 . . . 12 . HD1 . . . . . 11 . HA1 . . c17669_2ldj 1 83 1 OR . 1 1 11 11 GLY HA2 H . . . 1 1 13 13 SER H H . . . . . 0.728 0.000 6.000 . . . . . A . 11 GLY HA2 . . A . 13 SER H . . . 11 . HA1 . . . . . 13 . HN . . c17669_2ldj 1 83 2 OR . 1 1 3 3 TYR HB2 H . . . 1 1 13 13 SER H H . . . . . 0.728 0.000 6.000 . . . . . A . 3 TYR HB2 . . A . 13 SER H . . . 3 . HB1 . . . . . 13 . HN . . c17669_2ldj 1 83 3 OR . 1 1 3 3 TYR HB3 H . . . 1 1 13 13 SER H H . . . . . 0.728 0.000 6.000 . . . . . A . 3 TYR HB3 . . A . 13 SER H . . . 3 . HB2 . . . . . 13 . HN . . c17669_2ldj 1 84 1 OR . 1 1 12 12 PRO HG3 H . . . 1 1 12 12 PRO HA H . . . . . 0.715 0.000 6.000 . . . . . A . 12 PRO HG3 . . A . 12 PRO HA . . . 12 . HG2 . . . . . 12 . HA . . c17669_2ldj 1 84 2 OR . 1 1 12 12 PRO HA H . . . 1 1 12 12 PRO HB3 H . . . . . 0.715 0.000 6.000 . . . . . A . 12 PRO HA . . A . 12 PRO HB3 . . . 12 . HA . . . . . 12 . HB2 . . c17669_2ldj 1 85 1 OR . 1 1 14 14 SER H H . . . 1 1 12 12 PRO HA H . . . . . 0.745 0.000 6.000 . . . . . A . 14 SER H . . A . 12 PRO HA . . . 14 . HN . . . . . 12 . HA . . c17669_2ldj 1 85 2 OR . 1 1 4 4 ILE H H . . . 1 1 12 12 PRO HA H . . . . . 0.745 0.000 6.000 . . . . . A . 4 ILE H . . A . 12 PRO HA . . . 4 . HN . . . . . 12 . HA . . c17669_2ldj 1 86 1 OR . 1 1 12 12 PRO HB3 H . . . 1 1 12 12 PRO HB2 H . . . . . 0.408 0.000 6.000 . . . . . A . 12 PRO HB3 . . A . 12 PRO HB2 . . . 12 . HB2 . . . . . 12 . HB1 . . c17669_2ldj 1 86 2 OR . 1 1 12 12 PRO HG3 H . . . 1 1 12 12 PRO HB2 H . . . . . 0.408 0.000 6.000 . . . . . A . 12 PRO HG3 . . A . 12 PRO HB2 . . . 12 . HG2 . . . . . 12 . HB1 . . c17669_2ldj 1 87 1 OR . 1 1 18 18 PRO HD2 H . . . 1 1 12 12 PRO HB2 H . . . . . 0.662 0.000 6.000 . . . . . A . 18 PRO HD2 . . A . 12 PRO HB2 . . . 18 . HD1 . . . . . 12 . HB1 . . c17669_2ldj 1 87 2 OR . 1 1 18 18 PRO HD3 H . . . 1 1 12 12 PRO HB2 H . . . . . 0.662 0.000 6.000 . . . . . A . 18 PRO HD3 . . A . 12 PRO HB2 . . . 18 . HD2 . . . . . 12 . HB1 . . c17669_2ldj 1 87 3 OR . 1 1 12 12 PRO HD2 H . . . 1 1 12 12 PRO HB2 H . . . . . 0.662 0.000 6.000 . . . . . A . 12 PRO HD2 . . A . 12 PRO HB2 . . . 12 . HD1 . . . . . 12 . HB1 . . c17669_2ldj 1 88 1 OR . 1 1 6 6 TRP HH2 H . . . 1 1 12 12 PRO HD3 H . . . . . 0.696 0.000 6.000 . . . . . A . 6 TRP HH2 . . A . 12 PRO HD3 . . . 6 . HH2 . . . . . 12 . HD2 . . c17669_2ldj 1 88 2 OR . 1 1 6 6 TRP HH2 H . . . 1 1 17 17 PRO HD2 H . . . . . 0.696 0.000 6.000 . . . . . A . 6 TRP HH2 . . A . 17 PRO HD2 . . . 6 . HH2 . . . . . 17 . HD1 . . c17669_2ldj 1 89 1 OR . 1 1 6 6 TRP HZ2 H . . . 1 1 17 17 PRO HD2 H . . . . . 0.811 0.000 6.000 . . . . . A . 6 TRP HZ2 . . A . 17 PRO HD2 . . . 6 . HZ2 . . . . . 17 . HD1 . . c17669_2ldj 1 89 2 OR . 1 1 6 6 TRP HZ2 H . . . 1 1 12 12 PRO HD3 H . . . . . 0.811 0.000 6.000 . . . . . A . 6 TRP HZ2 . . A . 12 PRO HD3 . . . 6 . HZ2 . . . . . 12 . HD2 . . c17669_2ldj 1 90 1 OR . 1 1 6 6 TRP HZ3 H . . . 1 1 17 17 PRO HD2 H . . . . . 0.723 0.000 6.000 . . . . . A . 6 TRP HZ3 . . A . 17 PRO HD2 . . . 6 . HZ3 . . . . . 17 . HD1 . . c17669_2ldj 1 90 2 OR . 1 1 6 6 TRP HZ3 H . . . 1 1 14 14 SER HB2 H . . . . . 0.723 0.000 6.000 . . . . . A . 6 TRP HZ3 . . A . 14 SER HB2 . . . 6 . HZ3 . . . . . 14 . HB1 . . c17669_2ldj 1 90 3 OR . 1 1 6 6 TRP HZ3 H . . . 1 1 12 12 PRO HD3 H . . . . . 0.723 0.000 6.000 . . . . . A . 6 TRP HZ3 . . A . 12 PRO HD3 . . . 6 . HZ3 . . . . . 12 . HD2 . . c17669_2ldj 1 91 1 OR . 1 1 6 6 TRP HH2 H . . . 1 1 18 18 PRO HD2 H . . . . . 0.535 0.000 6.000 . . . . . A . 6 TRP HH2 . . A . 18 PRO HD2 . . . 6 . HH2 . . . . . 18 . HD1 . . c17669_2ldj 1 91 2 OR . 1 1 6 6 TRP HH2 H . . . 1 1 18 18 PRO HD3 H . . . . . 0.535 0.000 6.000 . . . . . A . 6 TRP HH2 . . A . 18 PRO HD3 . . . 6 . HH2 . . . . . 18 . HD2 . . c17669_2ldj 1 91 3 OR . 1 1 6 6 TRP HH2 H . . . 1 1 12 12 PRO HD2 H . . . . . 0.535 0.000 6.000 . . . . . A . 6 TRP HH2 . . A . 12 PRO HD2 . . . 6 . HH2 . . . . . 12 . HD1 . . c17669_2ldj 1 92 1 OR . 1 1 6 6 TRP HZ2 H . . . 1 1 18 18 PRO HD2 H . . . . . 0.530 0.000 6.000 . . . . . A . 6 TRP HZ2 . . A . 18 PRO HD2 . . . 6 . HZ2 . . . . . 18 . HD1 . . c17669_2ldj 1 92 2 OR . 1 1 6 6 TRP HZ2 H . . . 1 1 18 18 PRO HD3 H . . . . . 0.530 0.000 6.000 . . . . . A . 6 TRP HZ2 . . A . 18 PRO HD3 . . . 6 . HZ2 . . . . . 18 . HD2 . . c17669_2ldj 1 92 3 OR . 1 1 6 6 TRP HZ2 H . . . 1 1 12 12 PRO HD2 H . . . . . 0.530 0.000 6.000 . . . . . A . 6 TRP HZ2 . . A . 12 PRO HD2 . . . 6 . HZ2 . . . . . 12 . HD1 . . c17669_2ldj 1 93 1 OR . 1 1 6 6 TRP HZ3 H . . . 1 1 12 12 PRO HD2 H . . . . . 0.664 0.000 6.000 . . . . . A . 6 TRP HZ3 . . A . 12 PRO HD2 . . . 6 . HZ3 . . . . . 12 . HD1 . . c17669_2ldj 1 93 2 OR . 1 1 6 6 TRP HZ3 H . . . 1 1 18 18 PRO HD2 H . . . . . 0.664 0.000 6.000 . . . . . A . 6 TRP HZ3 . . A . 18 PRO HD2 . . . 6 . HZ3 . . . . . 18 . HD1 . . c17669_2ldj 1 93 3 OR . 1 1 6 6 TRP HZ3 H . . . 1 1 18 18 PRO HD3 H . . . . . 0.664 0.000 6.000 . . . . . A . 6 TRP HZ3 . . A . 18 PRO HD3 . . . 6 . HZ3 . . . . . 18 . HD2 . . c17669_2ldj 1 94 1 OR . 1 1 11 11 GLY H H . . . 1 1 18 18 PRO HD2 H . . . . . 0.751 0.000 6.000 . . . . . A . 11 GLY H . . A . 18 PRO HD2 . . . 11 . HN . . . . . 18 . HD1 . . c17669_2ldj 1 94 2 OR . 1 1 11 11 GLY H H . . . 1 1 18 18 PRO HD3 H . . . . . 0.751 0.000 6.000 . . . . . A . 11 GLY H . . A . 18 PRO HD3 . . . 11 . HN . . . . . 18 . HD2 . . c17669_2ldj 1 94 3 OR . 1 1 11 11 GLY H H . . . 1 1 12 12 PRO HD2 H . . . . . 0.751 0.000 6.000 . . . . . A . 11 GLY H . . A . 12 PRO HD2 . . . 11 . HN . . . . . 12 . HD1 . . c17669_2ldj 1 95 1 OR . 1 1 18 18 PRO HD2 H . . . 1 1 12 12 PRO HA H . . . . . 0.654 0.000 6.000 . . . . . A . 18 PRO HD2 . . A . 12 PRO HA . . . 18 . HD1 . . . . . 12 . HA . . c17669_2ldj 1 95 2 OR . 1 1 18 18 PRO HD3 H . . . 1 1 12 12 PRO HA H . . . . . 0.654 0.000 6.000 . . . . . A . 18 PRO HD3 . . A . 12 PRO HA . . . 18 . HD2 . . . . . 12 . HA . . c17669_2ldj 1 95 3 OR . 1 1 12 12 PRO HD2 H . . . 1 1 12 12 PRO HA H . . . . . 0.654 0.000 6.000 . . . . . A . 12 PRO HD2 . . A . 12 PRO HA . . . 12 . HD1 . . . . . 12 . HA . . c17669_2ldj 1 96 1 OR . 1 1 18 18 PRO HD2 H . . . 1 1 13 13 SER H H . . . . . 0.722 0.000 6.000 . . . . . A . 18 PRO HD2 . . A . 13 SER H . . . 18 . HD1 . . . . . 13 . HN . . c17669_2ldj 1 96 2 OR . 1 1 18 18 PRO HD3 H . . . 1 1 13 13 SER H H . . . . . 0.722 0.000 6.000 . . . . . A . 18 PRO HD3 . . A . 13 SER H . . . 18 . HD2 . . . . . 13 . HN . . c17669_2ldj 1 96 3 OR . 1 1 12 12 PRO HD2 H . . . 1 1 13 13 SER H H . . . . . 0.722 0.000 6.000 . . . . . A . 12 PRO HD2 . . A . 13 SER H . . . 12 . HD1 . . . . . 13 . HN . . c17669_2ldj 1 97 1 OR . 1 1 12 12 PRO HD3 H . . . 1 1 12 12 PRO HG2 H . . . . . 0.495 0.000 6.000 . . . . . A . 12 PRO HD3 . . A . 12 PRO HG2 . . . 12 . HD2 . . . . . 12 . HG1 . . c17669_2ldj 1 97 2 OR . 1 1 12 12 PRO HD3 H . . . 1 1 12 12 PRO HG3 H . . . . . 0.495 0.000 6.000 . . . . . A . 12 PRO HD3 . . A . 12 PRO HG3 . . . 12 . HD2 . . . . . 12 . HG2 . . c17669_2ldj 1 98 1 OR . 1 1 19 19 PRO HB2 H . . . 1 1 6 6 TRP HZ3 H . . . . . 0.792 0.000 6.000 . . . . . A . 19 PRO HB2 . . A . 6 TRP HZ3 . . . 19 . HB1 . . . . . 6 . HZ3 . . c17669_2ldj 1 98 2 OR . 1 1 5 5 GLN HG3 H . . . 1 1 6 6 TRP HZ3 H . . . . . 0.792 0.000 6.000 . . . . . A . 5 GLN HG3 . . A . 6 TRP HZ3 . . . 5 . HG2 . . . . . 6 . HZ3 . . c17669_2ldj 1 98 3 OR . 1 1 6 6 TRP HZ3 H . . . 1 1 12 12 PRO HG2 H . . . . . 0.792 0.000 6.000 . . . . . A . 6 TRP HZ3 . . A . 12 PRO HG2 . . . 6 . HZ3 . . . . . 12 . HG1 . . c17669_2ldj 1 98 4 OR . 1 1 6 6 TRP HZ3 H . . . 1 1 12 12 PRO HG3 H . . . . . 0.792 0.000 6.000 . . . . . A . 6 TRP HZ3 . . A . 12 PRO HG3 . . . 6 . HZ3 . . . . . 12 . HG2 . . c17669_2ldj 1 99 1 OR . 1 1 12 12 PRO HD3 H . . . 1 1 14 14 SER HB3 H . . . . . 0.405 0.000 6.000 . . . . . A . 12 PRO HD3 . . A . 14 SER HB3 . . . 12 . HD2 . . . . . 14 . HB2 . . c17669_2ldj 1 99 2 OR . 1 1 14 14 SER HB2 H . . . 1 1 14 14 SER HB3 H . . . . . 0.405 0.000 6.000 . . . . . A . 14 SER HB2 . . A . 14 SER HB3 . . . 14 . HB1 . . . . . 14 . HB2 . . c17669_2ldj 1 100 1 OR . 1 1 14 14 SER H H . . . 1 1 14 14 SER HB2 H . . . . . 0.653 0.000 6.000 . . . . . A . 14 SER H . . A . 14 SER HB2 . . . 14 . HN . . . . . 14 . HB1 . . c17669_2ldj 1 100 2 OR . 1 1 14 14 SER H H . . . 1 1 12 12 PRO HD3 H . . . . . 0.653 0.000 6.000 . . . . . A . 14 SER H . . A . 12 PRO HD3 . . . 14 . HN . . . . . 12 . HD2 . . c17669_2ldj 1 101 1 OR . 1 1 14 14 SER HB2 H . . . 1 1 16 16 ARG H H . . . . . 0.745 0.000 6.000 . . . . . A . 14 SER HB2 . . A . 16 ARG H . . . 14 . HB1 . . . . . 16 . HN . . c17669_2ldj 1 101 2 OR . 1 1 12 12 PRO HD3 H . . . 1 1 16 16 ARG H H . . . . . 0.745 0.000 6.000 . . . . . A . 12 PRO HD3 . . A . 16 ARG H . . . 12 . HD2 . . . . . 16 . HN . . c17669_2ldj 1 102 1 OR . 1 1 16 16 ARG H H . . . 1 1 15 15 GLY HA2 H . . . . . 0.622 0.000 6.000 . . . . . A . 16 ARG H . . A . 15 GLY HA2 . . . 16 . HN . . . . . 15 . HA1 . . c17669_2ldj 1 102 2 OR . 1 1 16 16 ARG H H . . . 1 1 15 15 GLY HA3 H . . . . . 0.622 0.000 6.000 . . . . . A . 16 ARG H . . A . 15 GLY HA3 . . . 16 . HN . . . . . 15 . HA2 . . c17669_2ldj 1 102 3 OR . 1 1 2 2 LEU HA H . . . 1 1 16 16 ARG H H . . . . . 0.622 0.000 6.000 . . . . . A . 2 LEU HA . . A . 16 ARG H . . . 2 . HA . . . . . 16 . HN . . c17669_2ldj 1 103 1 OR . 1 1 19 19 PRO HG2 H . . . 1 1 6 6 TRP HD1 H . . . . . 0.630 0.000 6.000 . . . . . A . 19 PRO HG2 . . A . 6 TRP HD1 . . . 19 . HG1 . . . . . 6 . HD1 . . c17669_2ldj 1 103 2 OR . 1 1 2 2 LEU HB3 H . . . 1 1 6 6 TRP HD1 H . . . . . 0.630 0.000 6.000 . . . . . A . 2 LEU HB3 . . A . 6 TRP HD1 . . . 2 . HB2 . . . . . 6 . HD1 . . c17669_2ldj 1 104 1 OR . 1 1 2 2 LEU HB3 H . . . 1 1 6 6 TRP HE1 H . . . . . 0.748 0.000 6.000 . . . . . A . 2 LEU HB3 . . A . 6 TRP HE1 . . . 2 . HB2 . . . . . 6 . HE1 . . c17669_2ldj 1 104 2 OR . 1 1 19 19 PRO HG2 H . . . 1 1 6 6 TRP HE1 H . . . . . 0.748 0.000 6.000 . . . . . A . 19 PRO HG2 . . A . 6 TRP HE1 . . . 19 . HG1 . . . . . 6 . HE1 . . c17669_2ldj 1 105 1 OR . 1 1 16 16 ARG HD2 H . . . 1 1 19 19 PRO HG2 H . . . . . 0.661 0.000 6.000 . . . . . A . 16 ARG HD2 . . A . 19 PRO HG2 . . . 16 . HD1 . . . . . 19 . HG1 . . c17669_2ldj 1 105 2 OR . 1 1 16 16 ARG HD3 H . . . 1 1 19 19 PRO HG2 H . . . . . 0.661 0.000 6.000 . . . . . A . 16 ARG HD3 . . A . 19 PRO HG2 . . . 16 . HD2 . . . . . 19 . HG1 . . c17669_2ldj 1 105 3 OR . 1 1 16 16 ARG HD2 H . . . 1 1 2 2 LEU HB3 H . . . . . 0.661 0.000 6.000 . . . . . A . 16 ARG HD2 . . A . 2 LEU HB3 . . . 16 . HD1 . . . . . 2 . HB2 . . c17669_2ldj 1 105 4 OR . 1 1 16 16 ARG HD3 H . . . 1 1 2 2 LEU HB3 H . . . . . 0.661 0.000 6.000 . . . . . A . 16 ARG HD3 . . A . 2 LEU HB3 . . . 16 . HD2 . . . . . 2 . HB2 . . c17669_2ldj 1 106 1 OR . 1 1 19 19 PRO HG2 H . . . 1 1 16 16 ARG HE H . . . . . 0.642 0.000 6.000 . . . . . A . 19 PRO HG2 . . A . 16 ARG HE . . . 19 . HG1 . . . . . 16 . HE . . c17669_2ldj 1 106 2 OR . 1 1 2 2 LEU HB3 H . . . 1 1 16 16 ARG HE H . . . . . 0.642 0.000 6.000 . . . . . A . 2 LEU HB3 . . A . 16 ARG HE . . . 2 . HB2 . . . . . 16 . HE . . c17669_2ldj 1 107 1 OR . 1 1 19 19 PRO HG2 H . . . 1 1 16 16 ARG H H . . . . . 0.590 0.000 6.000 . . . . . A . 19 PRO HG2 . . A . 16 ARG H . . . 19 . HG1 . . . . . 16 . HN . . c17669_2ldj 1 107 2 OR . 1 1 2 2 LEU HB3 H . . . 1 1 16 16 ARG H H . . . . . 0.590 0.000 6.000 . . . . . A . 2 LEU HB3 . . A . 16 ARG H . . . 2 . HB2 . . . . . 16 . HN . . c17669_2ldj 1 108 1 OR . 1 1 12 12 PRO HD3 H . . . 1 1 16 16 ARG HB3 H . . . . . 0.577 0.000 6.000 . . . . . A . 12 PRO HD3 . . A . 16 ARG HB3 . . . 12 . HD2 . . . . . 16 . HB2 . . c17669_2ldj 1 108 2 OR . 1 1 14 14 SER HB2 H . . . 1 1 10 10 Dgn HB3 H . . . . . 0.577 0.000 6.000 . . . . . A . 14 SER HB2 . . A . 10 DGN HB3 . . . 14 . HB1 . . . . . 10 . HB1 . . c17669_2ldj 1 108 3 OR . 1 1 12 12 PRO HD3 H . . . 1 1 16 16 ARG HB2 H . . . . . 0.577 0.000 6.000 . . . . . A . 12 PRO HD3 . . A . 16 ARG HB2 . . . 12 . HD2 . . . . . 16 . HB1 . . c17669_2ldj 1 109 1 OR . 1 1 16 16 ARG HE H . . . 1 1 16 16 ARG HB2 H . . . . . 0.646 0.000 6.000 . . . . . A . 16 ARG HE . . A . 16 ARG HB2 . . . 16 . HE . . . . . 16 . HB1 . . c17669_2ldj 1 109 2 OR . 1 1 16 16 ARG HE H . . . 1 1 16 16 ARG HB3 H . . . . . 0.646 0.000 6.000 . . . . . A . 16 ARG HE . . A . 16 ARG HB3 . . . 16 . HE . . . . . 16 . HB2 . . c17669_2ldj 1 109 3 OR . 1 1 16 16 ARG HE H . . . 1 1 10 10 Dgn HB3 H . . . . . 0.646 0.000 6.000 . . . . . A . 16 ARG HE . . A . 10 DGN HB3 . . . 16 . HE . . . . . 10 . HB1 . . c17669_2ldj 1 110 1 OR . 1 1 16 16 ARG HD2 H . . . 1 1 6 6 TRP HD1 H . . . . . 0.719 0.000 6.000 . . . . . A . 16 ARG HD2 . . A . 6 TRP HD1 . . . 16 . HD1 . . . . . 6 . HD1 . . c17669_2ldj 1 110 2 OR . 1 1 16 16 ARG HD3 H . . . 1 1 6 6 TRP HD1 H . . . . . 0.719 0.000 6.000 . . . . . A . 16 ARG HD3 . . A . 6 TRP HD1 . . . 16 . HD2 . . . . . 6 . HD1 . . c17669_2ldj 1 110 3 OR . 1 1 1 1 ASN HB2 H . . . 1 1 6 6 TRP HD1 H . . . . . 0.719 0.000 6.000 . . . . . A . 1 ASN HB2 . . A . 6 TRP HD1 . . . 1 . HB1 . . . . . 6 . HD1 . . c17669_2ldj 1 111 1 OR . 1 1 1 1 ASN HB2 H . . . 1 1 2 2 LEU HG H . . . . . 0.666 0.000 6.000 . . . . . A . 1 ASN HB2 . . A . 2 LEU HG . . . 1 . HB1 . . . . . 2 . HG . . c17669_2ldj 1 111 2 OR . 1 1 1 1 ASN HB2 H . . . 1 1 2 2 LEU HB3 H . . . . . 0.666 0.000 6.000 . . . . . A . 1 ASN HB2 . . A . 2 LEU HB3 . . . 1 . HB1 . . . . . 2 . HB2 . . c17669_2ldj 1 112 1 OR . 1 1 16 16 ARG HE H . . . 1 1 19 19 PRO HG3 H . . . . . 0.713 0.000 6.000 . . . . . A . 16 ARG HE . . A . 19 PRO HG3 . . . 16 . HE . . . . . 19 . HG2 . . c17669_2ldj 1 112 2 OR . 1 1 16 16 ARG HE H . . . 1 1 16 16 ARG HG2 H . . . . . 0.713 0.000 6.000 . . . . . A . 16 ARG HE . . A . 16 ARG HG2 . . . 16 . HE . . . . . 16 . HG1 . . c17669_2ldj 1 112 3 OR . 1 1 16 16 ARG HE H . . . 1 1 16 16 ARG HG3 H . . . . . 0.713 0.000 6.000 . . . . . A . 16 ARG HE . . A . 16 ARG HG3 . . . 16 . HE . . . . . 16 . HG2 . . c17669_2ldj 1 113 1 OR . 1 1 6 6 TRP HD1 H . . . 1 1 17 17 PRO HB3 H . . . . . 0.708 0.000 6.000 . . . . . A . 6 TRP HD1 . . A . 17 PRO HB3 . . . 6 . HD1 . . . . . 17 . HB2 . . c17669_2ldj 1 113 2 OR . 1 1 6 6 TRP HD1 H . . . 1 1 16 16 ARG HG2 H . . . . . 0.708 0.000 6.000 . . . . . A . 6 TRP HD1 . . A . 16 ARG HG2 . . . 6 . HD1 . . . . . 16 . HG1 . . c17669_2ldj 1 113 3 OR . 1 1 6 6 TRP HD1 H . . . 1 1 16 16 ARG HG3 H . . . . . 0.708 0.000 6.000 . . . . . A . 6 TRP HD1 . . A . 16 ARG HG3 . . . 6 . HD1 . . . . . 16 . HG2 . . c17669_2ldj 1 114 1 OR . 1 1 18 18 PRO HA H . . . 1 1 16 16 ARG HG2 H . . . . . 0.583 0.000 6.000 . . . . . A . 18 PRO HA . . A . 16 ARG HG2 . . . 18 . HA . . . . . 16 . HG1 . . c17669_2ldj 1 114 2 OR . 1 1 18 18 PRO HA H . . . 1 1 16 16 ARG HG3 H . . . . . 0.583 0.000 6.000 . . . . . A . 18 PRO HA . . A . 16 ARG HG3 . . . 18 . HA . . . . . 16 . HG2 . . c17669_2ldj 1 114 3 OR . 1 1 2 2 LEU HG H . . . 1 1 18 18 PRO HA H . . . . . 0.583 0.000 6.000 . . . . . A . 2 LEU HG . . A . 18 PRO HA . . . 2 . HG . . . . . 18 . HA . . c17669_2ldj 1 115 1 OR . 1 1 17 17 PRO HD2 H . . . 1 1 17 17 PRO HG2 H . . . . . 0.490 0.000 6.000 . . . . . A . 17 PRO HD2 . . A . 17 PRO HG2 . . . 17 . HD1 . . . . . 17 . HG1 . . c17669_2ldj 1 115 2 OR . 1 1 17 17 PRO HD2 H . . . 1 1 17 17 PRO HG3 H . . . . . 0.490 0.000 6.000 . . . . . A . 17 PRO HD2 . . A . 17 PRO HG3 . . . 17 . HD1 . . . . . 17 . HG2 . . c17669_2ldj 1 116 1 OR . 1 1 6 6 TRP HD1 H . . . 1 1 18 18 PRO HA H . . . . . 0.719 0.000 6.000 . . . . . A . 6 TRP HD1 . . A . 18 PRO HA . . . 6 . HD1 . . . . . 18 . HA . . c17669_2ldj 1 116 2 OR . 1 1 6 6 TRP HD1 H . . . 1 1 5 5 GLN HG2 H . . . . . 0.719 0.000 6.000 . . . . . A . 6 TRP HD1 . . A . 5 GLN HG2 . . . 6 . HD1 . . . . . 5 . HG1 . . c17669_2ldj 1 117 1 OR . 1 1 18 18 PRO HA H . . . 1 1 4 4 ILE HG13 H . . . . . 7.311 0.629 13.993 . . . . . A . 18 PRO HA . . A . 4 ILE HG13 . . . 18 . HA . . . . . 4 . HG12 . . c17669_2ldj 1 117 2 OR . 1 1 5 5 GLN HG2 H . . . 1 1 4 4 ILE HG13 H . . . . . 7.311 0.629 13.993 . . . . . A . 5 GLN HG2 . . A . 4 ILE HG13 . . . 5 . HG1 . . . . . 4 . HG12 . . c17669_2ldj 1 118 1 OR . 1 1 18 18 PRO HA H . . . 1 1 19 19 PRO HD3 H . . . . . 0.516 0.000 6.000 . . . . . A . 18 PRO HA . . A . 19 PRO HD3 . . . 18 . HA . . . . . 19 . HD2 . . c17669_2ldj 1 118 2 OR . 1 1 5 5 GLN HG2 H . . . 1 1 8 8 LYS HE2 H . . . . . 0.516 0.000 6.000 . . . . . A . 5 GLN HG2 . . A . 8 LYS HE2 . . . 5 . HG1 . . . . . 8 . HE1 . . c17669_2ldj 1 118 3 OR . 1 1 5 5 GLN HG2 H . . . 1 1 8 8 LYS HE3 H . . . . . 0.516 0.000 6.000 . . . . . A . 5 GLN HG2 . . A . 8 LYS HE3 . . . 5 . HG1 . . . . . 8 . HE2 . . c17669_2ldj 1 119 1 OR . 1 1 3 3 TYR HD2 H . . . 1 1 18 18 PRO HB3 H . . . . . 0.669 0.000 6.000 . . . . . A . 3 TYR HD2 . . A . 18 PRO HB3 . . . 3 . HD2 . . . . . 18 . HB2 . . c17669_2ldj 1 119 2 OR . 1 1 3 3 TYR HD1 H . . . 1 1 18 18 PRO HB3 H . . . . . 0.669 0.000 6.000 . . . . . A . 3 TYR HD1 . . A . 18 PRO HB3 . . . 3 . HD1 . . . . . 18 . HB2 . . c17669_2ldj 1 119 3 OR . 1 1 3 3 TYR HD2 H . . . 1 1 7 7 LEU HB2 H . . . . . 0.669 0.000 6.000 . . . . . A . 3 TYR HD2 . . A . 7 LEU HB2 . . . 3 . HD2 . . . . . 7 . HB1 . . c17669_2ldj 1 119 4 OR . 1 1 3 3 TYR HD1 H . . . 1 1 7 7 LEU HB2 H . . . . . 0.669 0.000 6.000 . . . . . A . 3 TYR HD1 . . A . 7 LEU HB2 . . . 3 . HD1 . . . . . 7 . HB1 . . c17669_2ldj 1 120 1 OR . 1 1 7 7 LEU HB2 H . . . 1 1 3 3 TYR HE1 H . . . . . 0.626 0.000 6.000 . . . . . A . 7 LEU HB2 . . A . 3 TYR HE1 . . . 7 . HB1 . . . . . 3 . HE1 . . c17669_2ldj 1 120 2 OR . 1 1 7 7 LEU HB2 H . . . 1 1 3 3 TYR HE2 H . . . . . 0.626 0.000 6.000 . . . . . A . 7 LEU HB2 . . A . 3 TYR HE2 . . . 7 . HB1 . . . . . 3 . HE2 . . c17669_2ldj 1 120 3 OR . 1 1 18 18 PRO HB3 H . . . 1 1 3 3 TYR HE2 H . . . . . 0.626 0.000 6.000 . . . . . A . 18 PRO HB3 . . A . 3 TYR HE2 . . . 18 . HB2 . . . . . 3 . HE2 . . c17669_2ldj 1 120 4 OR . 1 1 18 18 PRO HB3 H . . . 1 1 3 3 TYR HE1 H . . . . . 0.626 0.000 6.000 . . . . . A . 18 PRO HB3 . . A . 3 TYR HE1 . . . 18 . HB2 . . . . . 3 . HE1 . . c17669_2ldj 1 121 1 OR . 1 1 7 7 LEU HB2 H . . . 1 1 4 4 ILE HG13 H . . . . . 0.542 0.000 6.000 . . . . . A . 7 LEU HB2 . . A . 4 ILE HG13 . . . 7 . HB1 . . . . . 4 . HG12 . . c17669_2ldj 1 121 2 OR . 1 1 18 18 PRO HB3 H . . . 1 1 4 4 ILE HG13 H . . . . . 0.542 0.000 6.000 . . . . . A . 18 PRO HB3 . . A . 4 ILE HG13 . . . 18 . HB2 . . . . . 4 . HG12 . . c17669_2ldj 1 122 1 OR . 1 1 18 18 PRO HB3 H . . . 1 1 19 19 PRO HD3 H . . . . . 0.594 0.000 6.000 . . . . . A . 18 PRO HB3 . . A . 19 PRO HD3 . . . 18 . HB2 . . . . . 19 . HD2 . . c17669_2ldj 1 122 2 OR . 1 1 7 7 LEU HB2 H . . . 1 1 8 8 LYS HE2 H . . . . . 0.594 0.000 6.000 . . . . . A . 7 LEU HB2 . . A . 8 LYS HE2 . . . 7 . HB1 . . . . . 8 . HE1 . . c17669_2ldj 1 122 3 OR . 1 1 7 7 LEU HB2 H . . . 1 1 8 8 LYS HE3 H . . . . . 0.594 0.000 6.000 . . . . . A . 7 LEU HB2 . . A . 8 LYS HE3 . . . 7 . HB1 . . . . . 8 . HE2 . . c17669_2ldj 1 123 1 OR . 1 1 12 12 PRO HD2 H . . . 1 1 18 18 PRO HB2 H . . . . . 0.645 0.000 6.000 . . . . . A . 12 PRO HD2 . . A . 18 PRO HB2 . . . 12 . HD1 . . . . . 18 . HB1 . . c17669_2ldj 1 123 2 OR . 1 1 18 18 PRO HD2 H . . . 1 1 18 18 PRO HB2 H . . . . . 0.645 0.000 6.000 . . . . . A . 18 PRO HD2 . . A . 18 PRO HB2 . . . 18 . HD1 . . . . . 18 . HB1 . . c17669_2ldj 1 123 3 OR . 1 1 18 18 PRO HD3 H . . . 1 1 18 18 PRO HB2 H . . . . . 0.645 0.000 6.000 . . . . . A . 18 PRO HD3 . . A . 18 PRO HB2 . . . 18 . HD2 . . . . . 18 . HB1 . . c17669_2ldj 1 124 1 OR . 1 1 6 6 TRP HE1 H . . . 1 1 12 12 PRO HD2 H . . . . . 0.738 0.000 6.000 . . . . . A . 6 TRP HE1 . . A . 12 PRO HD2 . . . 6 . HE1 . . . . . 12 . HD1 . . c17669_2ldj 1 124 2 OR . 1 1 6 6 TRP HE1 H . . . 1 1 18 18 PRO HD2 H . . . . . 0.738 0.000 6.000 . . . . . A . 6 TRP HE1 . . A . 18 PRO HD2 . . . 6 . HE1 . . . . . 18 . HD1 . . c17669_2ldj 1 124 3 OR . 1 1 6 6 TRP HE1 H . . . 1 1 18 18 PRO HD3 H . . . . . 0.738 0.000 6.000 . . . . . A . 6 TRP HE1 . . A . 18 PRO HD3 . . . 6 . HE1 . . . . . 18 . HD2 . . c17669_2ldj 1 125 1 OR . 1 1 3 3 TYR HD1 H . . . 1 1 4 4 ILE HG13 H . . . . . 0.658 0.000 6.000 . . . . . A . 3 TYR HD1 . . A . 4 ILE HG13 . . . 3 . HD1 . . . . . 4 . HG12 . . c17669_2ldj 1 125 2 OR . 1 1 3 3 TYR HD1 H . . . 1 1 18 18 PRO HG2 H . . . . . 0.658 0.000 6.000 . . . . . A . 3 TYR HD1 . . A . 18 PRO HG2 . . . 3 . HD1 . . . . . 18 . HG1 . . c17669_2ldj 1 125 3 OR . 1 1 3 3 TYR HD1 H . . . 1 1 18 18 PRO HG3 H . . . . . 0.658 0.000 6.000 . . . . . A . 3 TYR HD1 . . A . 18 PRO HG3 . . . 3 . HD1 . . . . . 18 . HG2 . . c17669_2ldj 1 125 4 OR . 1 1 3 3 TYR HD2 H . . . 1 1 18 18 PRO HG3 H . . . . . 0.658 0.000 6.000 . . . . . A . 3 TYR HD2 . . A . 18 PRO HG3 . . . 3 . HD2 . . . . . 18 . HG2 . . c17669_2ldj 1 125 5 OR . 1 1 3 3 TYR HD2 H . . . 1 1 18 18 PRO HG2 H . . . . . 0.658 0.000 6.000 . . . . . A . 3 TYR HD2 . . A . 18 PRO HG2 . . . 3 . HD2 . . . . . 18 . HG1 . . c17669_2ldj 1 125 6 OR . 1 1 3 3 TYR HD2 H . . . 1 1 4 4 ILE HG13 H . . . . . 0.658 0.000 6.000 . . . . . A . 3 TYR HD2 . . A . 4 ILE HG13 . . . 3 . HD2 . . . . . 4 . HG12 . . c17669_2ldj 1 126 1 OR . 1 1 18 18 PRO HD3 H . . . 1 1 16 16 ARG HG3 H . . . . . 0.442 0.000 6.000 . . . . . A . 18 PRO HD3 . . A . 16 ARG HG3 . . . 18 . HD2 . . . . . 16 . HG2 . . c17669_2ldj 1 126 2 OR . 1 1 18 18 PRO HD3 H . . . 1 1 16 16 ARG HG2 H . . . . . 0.442 0.000 6.000 . . . . . A . 18 PRO HD3 . . A . 16 ARG HG2 . . . 18 . HD2 . . . . . 16 . HG1 . . c17669_2ldj 1 126 3 OR . 1 1 18 18 PRO HD2 H . . . 1 1 17 17 PRO HB3 H . . . . . 0.442 0.000 6.000 . . . . . A . 18 PRO HD2 . . A . 17 PRO HB3 . . . 18 . HD1 . . . . . 17 . HB2 . . c17669_2ldj 1 126 4 OR . 1 1 18 18 PRO HD3 H . . . 1 1 17 17 PRO HB3 H . . . . . 0.442 0.000 6.000 . . . . . A . 18 PRO HD3 . . A . 17 PRO HB3 . . . 18 . HD2 . . . . . 17 . HB2 . . c17669_2ldj 1 126 5 OR . 1 1 18 18 PRO HD2 H . . . 1 1 16 16 ARG HG3 H . . . . . 0.442 0.000 6.000 . . . . . A . 18 PRO HD2 . . A . 16 ARG HG3 . . . 18 . HD1 . . . . . 16 . HG2 . . c17669_2ldj 1 126 6 OR . 1 1 18 18 PRO HD2 H . . . 1 1 16 16 ARG HG2 H . . . . . 0.442 0.000 6.000 . . . . . A . 18 PRO HD2 . . A . 16 ARG HG2 . . . 18 . HD1 . . . . . 16 . HG1 . . c17669_2ldj 1 127 1 OR . 1 1 3 3 TYR HE2 H . . . 1 1 10 10 Dgn HB3 H . . . . . 0.801 0.000 6.000 . . . . . A . 3 TYR HE2 . . A . 10 DGN HB3 . . . 3 . HE2 . . . . . 10 . HB1 . . c17669_2ldj 1 127 2 OR . 1 1 3 3 TYR HE2 H . . . 1 1 16 16 ARG HB3 H . . . . . 0.801 0.000 6.000 . . . . . A . 3 TYR HE2 . . A . 16 ARG HB3 . . . 3 . HE2 . . . . . 16 . HB2 . . c17669_2ldj 1 127 3 OR . 1 1 3 3 TYR HE1 H . . . 1 1 10 10 Dgn HB3 H . . . . . 0.801 0.000 6.000 . . . . . A . 3 TYR HE1 . . A . 10 DGN HB3 . . . 3 . HE1 . . . . . 10 . HB1 . . c17669_2ldj 1 127 4 OR . 1 1 3 3 TYR HE2 H . . . 1 1 16 16 ARG HB2 H . . . . . 0.801 0.000 6.000 . . . . . A . 3 TYR HE2 . . A . 16 ARG HB2 . . . 3 . HE2 . . . . . 16 . HB1 . . c17669_2ldj 1 127 5 OR . 1 1 3 3 TYR HE1 H . . . 1 1 16 16 ARG HB2 H . . . . . 0.801 0.000 6.000 . . . . . A . 3 TYR HE1 . . A . 16 ARG HB2 . . . 3 . HE1 . . . . . 16 . HB1 . . c17669_2ldj 1 127 6 OR . 1 1 3 3 TYR HE1 H . . . 1 1 16 16 ARG HB3 H . . . . . 0.801 0.000 6.000 . . . . . A . 3 TYR HE1 . . A . 16 ARG HB3 . . . 3 . HE1 . . . . . 16 . HB2 . . c17669_2ldj 1 128 1 OR . 1 1 18 18 PRO HA H . . . 1 1 18 18 PRO HG3 H . . . . . 0.730 0.000 6.000 . . . . . A . 18 PRO HA . . A . 18 PRO HG3 . . . 18 . HA . . . . . 18 . HG2 . . c17669_2ldj 1 128 2 OR . 1 1 18 18 PRO HA H . . . 1 1 18 18 PRO HG2 H . . . . . 0.730 0.000 6.000 . . . . . A . 18 PRO HA . . A . 18 PRO HG2 . . . 18 . HA . . . . . 18 . HG1 . . c17669_2ldj 1 128 3 OR . 1 1 18 18 PRO HA H . . . 1 1 16 16 ARG HB2 H . . . . . 0.730 0.000 6.000 . . . . . A . 18 PRO HA . . A . 16 ARG HB2 . . . 18 . HA . . . . . 16 . HB1 . . c17669_2ldj 1 128 4 OR . 1 1 18 18 PRO HA H . . . 1 1 16 16 ARG HB3 H . . . . . 0.730 0.000 6.000 . . . . . A . 18 PRO HA . . A . 16 ARG HB3 . . . 18 . HA . . . . . 16 . HB2 . . c17669_2ldj 1 129 1 OR . 1 1 19 19 PRO HB3 H . . . 1 1 3 3 TYR HB2 H . . . . . 0.645 0.000 6.000 . . . . . A . 19 PRO HB3 . . A . 3 TYR HB2 . . . 19 . HB2 . . . . . 3 . HB1 . . c17669_2ldj 1 129 2 OR . 1 1 19 19 PRO HB3 H . . . 1 1 3 3 TYR HB3 H . . . . . 0.645 0.000 6.000 . . . . . A . 19 PRO HB3 . . A . 3 TYR HB3 . . . 19 . HB2 . . . . . 3 . HB2 . . c17669_2ldj 1 129 3 OR . 1 1 19 19 PRO HB3 H . . . 1 1 19 19 PRO HD2 H . . . . . 0.645 0.000 6.000 . . . . . A . 19 PRO HB3 . . A . 19 PRO HD2 . . . 19 . HB2 . . . . . 19 . HD1 . . c17669_2ldj 1 129 4 OR . 1 1 19 19 PRO HD2 H . . . 1 1 17 17 PRO HG3 H . . . . . 0.645 0.000 6.000 . . . . . A . 19 PRO HD2 . . A . 17 PRO HG3 . . . 19 . HD1 . . . . . 17 . HG2 . . c17669_2ldj 1 129 5 OR . 1 1 6 6 TRP HB3 H . . . 1 1 7 7 LEU HB3 H . . . . . 0.645 0.000 6.000 . . . . . A . 6 TRP HB3 . . A . 7 LEU HB3 . . . 6 . HB2 . . . . . 7 . HB2 . . c17669_2ldj 1 130 1 OR . 1 1 5 5 GLN HG3 H . . . 1 1 3 3 TYR HB3 H . . . . . 0.568 0.000 6.000 . . . . . A . 5 GLN HG3 . . A . 3 TYR HB3 . . . 5 . HG2 . . . . . 3 . HB2 . . c17669_2ldj 1 130 2 OR . 1 1 19 19 PRO HB2 H . . . 1 1 19 19 PRO HD2 H . . . . . 0.568 0.000 6.000 . . . . . A . 19 PRO HB2 . . A . 19 PRO HD2 . . . 19 . HB1 . . . . . 19 . HD1 . . c17669_2ldj 1 130 3 OR . 1 1 10 10 Dgn HG2 H . . . 1 1 11 11 GLY HA2 H . . . . . 0.568 0.000 6.000 . . . . . A . 10 DGN HG2 . . A . 11 GLY HA2 . . . 10 . HG2 . . . . . 11 . HA1 . . c17669_2ldj 1 130 4 OR . 1 1 5 5 GLN HG3 H . . . 1 1 3 3 TYR HB2 H . . . . . 0.568 0.000 6.000 . . . . . A . 5 GLN HG3 . . A . 3 TYR HB2 . . . 5 . HG2 . . . . . 3 . HB1 . . c17669_2ldj 1 130 5 OR . 1 1 19 19 PRO HB2 H . . . 1 1 3 3 TYR HB2 H . . . . . 0.568 0.000 6.000 . . . . . A . 19 PRO HB2 . . A . 3 TYR HB2 . . . 19 . HB1 . . . . . 3 . HB1 . . c17669_2ldj 1 130 6 OR . 1 1 19 19 PRO HB2 H . . . 1 1 3 3 TYR HB3 H . . . . . 0.568 0.000 6.000 . . . . . A . 19 PRO HB2 . . A . 3 TYR HB3 . . . 19 . HB1 . . . . . 3 . HB2 . . c17669_2ldj 1 130 7 OR . 1 1 12 12 PRO HG3 H . . . 1 1 11 11 GLY HA2 H . . . . . 0.568 0.000 6.000 . . . . . A . 12 PRO HG3 . . A . 11 GLY HA2 . . . 12 . HG2 . . . . . 11 . HA1 . . c17669_2ldj 1 131 1 OR . 1 1 14 14 SER HA H . . . 1 1 8 8 LYS HE2 H . . . . . 0.572 0.000 6.000 . . . . . A . 14 SER HA . . A . 8 LYS HE2 . . . 14 . HA . . . . . 8 . HE1 . . c17669_2ldj 1 131 2 OR . 1 1 14 14 SER HA H . . . 1 1 8 8 LYS HE3 H . . . . . 0.572 0.000 6.000 . . . . . A . 14 SER HA . . A . 8 LYS HE3 . . . 14 . HA . . . . . 8 . HE2 . . c17669_2ldj 1 131 3 OR . 1 1 3 3 TYR HA H . . . 1 1 19 19 PRO HD3 H . . . . . 0.572 0.000 6.000 . . . . . A . 3 TYR HA . . A . 19 PRO HD3 . . . 3 . HA . . . . . 19 . HD2 . . c17669_2ldj 1 132 1 OR . 1 1 6 6 TRP HD1 H . . . 1 1 19 19 PRO HD3 H . . . . . 0.753 0.000 6.000 . . . . . A . 6 TRP HD1 . . A . 19 PRO HD3 . . . 6 . HD1 . . . . . 19 . HD2 . . c17669_2ldj 1 132 2 OR . 1 1 6 6 TRP HD1 H . . . 1 1 8 8 LYS HE2 H . . . . . 0.753 0.000 6.000 . . . . . A . 6 TRP HD1 . . A . 8 LYS HE2 . . . 6 . HD1 . . . . . 8 . HE1 . . c17669_2ldj 1 132 3 OR . 1 1 6 6 TRP HD1 H . . . 1 1 8 8 LYS HE3 H . . . . . 0.753 0.000 6.000 . . . . . A . 6 TRP HD1 . . A . 8 LYS HE3 . . . 6 . HD1 . . . . . 8 . HE2 . . c17669_2ldj 1 133 1 OR . 1 1 5 5 GLN HE22 H . . . 1 1 19 19 PRO HD3 H . . . . . 0.560 0.000 6.000 . . . . . A . 5 GLN HE22 . . A . 19 PRO HD3 . . . 5 . HE22 . . . . . 19 . HD2 . . c17669_2ldj 1 133 2 OR . 1 1 5 5 GLN HE22 H . . . 1 1 8 8 LYS HE2 H . . . . . 0.560 0.000 6.000 . . . . . A . 5 GLN HE22 . . A . 8 LYS HE2 . . . 5 . HE22 . . . . . 8 . HE1 . . c17669_2ldj 1 133 3 OR . 1 1 5 5 GLN HE22 H . . . 1 1 8 8 LYS HE3 H . . . . . 0.560 0.000 6.000 . . . . . A . 5 GLN HE22 . . A . 8 LYS HE3 . . . 5 . HE22 . . . . . 8 . HE2 . . c17669_2ldj 1 134 1 OR . 1 1 6 6 TRP HZ3 H . . . 1 1 19 19 PRO HD3 H . . . . . 0.602 0.000 6.000 . . . . . A . 6 TRP HZ3 . . A . 19 PRO HD3 . . . 6 . HZ3 . . . . . 19 . HD2 . . c17669_2ldj 1 134 2 OR . 1 1 6 6 TRP HZ3 H . . . 1 1 8 8 LYS HE2 H . . . . . 0.602 0.000 6.000 . . . . . A . 6 TRP HZ3 . . A . 8 LYS HE2 . . . 6 . HZ3 . . . . . 8 . HE1 . . c17669_2ldj 1 134 3 OR . 1 1 6 6 TRP HZ3 H . . . 1 1 8 8 LYS HE3 H . . . . . 0.602 0.000 6.000 . . . . . A . 6 TRP HZ3 . . A . 8 LYS HE3 . . . 6 . HZ3 . . . . . 8 . HE2 . . c17669_2ldj 1 135 1 OR . 1 1 19 19 PRO HA H . . . 1 1 19 19 PRO HD2 H . . . . . 0.639 0.000 6.000 . . . . . A . 19 PRO HA . . A . 19 PRO HD2 . . . 19 . HA . . . . . 19 . HD1 . . c17669_2ldj 1 135 2 OR . 1 1 1 1 ASN HA H . . . 1 1 3 3 TYR HB2 H . . . . . 0.639 0.000 6.000 . . . . . A . 1 ASN HA . . A . 3 TYR HB2 . . . 1 . HA . . . . . 3 . HB1 . . c17669_2ldj 1 135 3 OR . 1 1 1 1 ASN HA H . . . 1 1 3 3 TYR HB3 H . . . . . 0.639 0.000 6.000 . . . . . A . 1 ASN HA . . A . 3 TYR HB3 . . . 1 . HA . . . . . 3 . HB2 . . c17669_2ldj 1 136 1 OR . 1 1 2 2 LEU HG H . . . 1 1 3 3 TYR HA H . . . . . 0.558 0.000 6.000 . . . . . A . 2 LEU HG . . A . 3 TYR HA . . . 2 . HG . . . . . 3 . HA . . c17669_2ldj 1 136 2 OR . 1 1 3 3 TYR HA H . . . 1 1 19 19 PRO HG3 H . . . . . 0.558 0.000 6.000 . . . . . A . 3 TYR HA . . A . 19 PRO HG3 . . . 3 . HA . . . . . 19 . HG2 . . c17669_2ldj 1 137 1 OR . 1 1 6 6 TRP HB2 H . . . 1 1 17 17 PRO HB3 H . . . . . 0.777 0.000 6.000 . . . . . A . 6 TRP HB2 . . A . 17 PRO HB3 . . . 6 . HB1 . . . . . 17 . HB2 . . c17669_2ldj 1 137 2 OR . 1 1 6 6 TRP HB2 H . . . 1 1 19 19 PRO HG3 H . . . . . 0.777 0.000 6.000 . . . . . A . 6 TRP HB2 . . A . 19 PRO HG3 . . . 6 . HB1 . . . . . 19 . HG2 . . c17669_2ldj 1 137 3 OR . 1 1 6 6 TRP HB2 H . . . 1 1 16 16 ARG HG2 H . . . . . 0.777 0.000 6.000 . . . . . A . 6 TRP HB2 . . A . 16 ARG HG2 . . . 6 . HB1 . . . . . 16 . HG1 . . c17669_2ldj 1 137 4 OR . 1 1 6 6 TRP HB2 H . . . 1 1 16 16 ARG HG3 H . . . . . 0.777 0.000 6.000 . . . . . A . 6 TRP HB2 . . A . 16 ARG HG3 . . . 6 . HB1 . . . . . 16 . HG2 . . c17669_2ldj 1 138 1 OR . 1 1 20 20 SER H H . . . 1 1 19 19 PRO HG3 H . . . . . 0.723 0.000 6.000 . . . . . A . 20 SER H . . A . 19 PRO HG3 . . . 20 . HN . . . . . 19 . HG2 . . c17669_2ldj 1 138 2 OR . 1 1 2 2 LEU HG H . . . 1 1 20 20 SER H H . . . . . 0.723 0.000 6.000 . . . . . A . 2 LEU HG . . A . 20 SER H . . . 2 . HG . . . . . 20 . HN . . c17669_2ldj 1 139 1 OR . 1 1 19 19 PRO HG2 H . . . 1 1 3 3 TYR HA H . . . . . 0.548 0.000 6.000 . . . . . A . 19 PRO HG2 . . A . 3 TYR HA . . . 19 . HG1 . . . . . 3 . HA . . c17669_2ldj 1 139 2 OR . 1 1 2 2 LEU HG H . . . 1 1 3 3 TYR HA H . . . . . 0.548 0.000 6.000 . . . . . A . 2 LEU HG . . A . 3 TYR HA . . . 2 . HG . . . . . 3 . HA . . c17669_2ldj 1 140 1 OR . 1 1 3 3 TYR H H . . . 1 1 19 19 PRO HG2 H . . . . . 0.583 0.000 6.000 . . . . . A . 3 TYR H . . A . 19 PRO HG2 . . . 3 . HN . . . . . 19 . HG1 . . c17669_2ldj 1 140 2 OR . 1 1 3 3 TYR H H . . . 1 1 2 2 LEU HG H . . . . . 0.583 0.000 6.000 . . . . . A . 3 TYR H . . A . 2 LEU HG . . . 3 . HN . . . . . 2 . HG . . c17669_2ldj 1 140 3 OR . 1 1 3 3 TYR H H . . . 1 1 2 2 LEU HB3 H . . . . . 0.583 0.000 6.000 . . . . . A . 3 TYR H . . A . 2 LEU HB3 . . . 3 . HN . . . . . 2 . HB2 . . c17669_2ldj 1 141 1 OR . 1 1 2 2 LEU HB3 H . . . 1 1 6 6 TRP HB2 H . . . . . 0.725 0.000 6.000 . . . . . A . 2 LEU HB3 . . A . 6 TRP HB2 . . . 2 . HB2 . . . . . 6 . HB1 . . c17669_2ldj 1 141 2 OR . 1 1 19 19 PRO HG2 H . . . 1 1 6 6 TRP HB2 H . . . . . 0.725 0.000 6.000 . . . . . A . 19 PRO HG2 . . A . 6 TRP HB2 . . . 19 . HG1 . . . . . 6 . HB1 . . c17669_2ldj 1 142 1 OR . 1 1 19 19 PRO HG2 H . . . 1 1 19 19 PRO HB3 H . . . . . 7.135 0.771 13.499 . . . . . A . 19 PRO HG2 . . A . 19 PRO HB3 . . . 19 . HG1 . . . . . 19 . HB2 . . c17669_2ldj 1 142 2 OR . 1 1 2 2 LEU HG H . . . 1 1 19 19 PRO HB3 H . . . . . 7.135 0.771 13.499 . . . . . A . 2 LEU HG . . A . 19 PRO HB3 . . . 2 . HG . . . . . 19 . HB2 . . c17669_2ldj 1 143 1 OR . 1 1 19 19 PRO HG2 H . . . 1 1 19 19 PRO HB2 H . . . . . 0.558 0.000 6.000 . . . . . A . 19 PRO HG2 . . A . 19 PRO HB2 . . . 19 . HG1 . . . . . 19 . HB1 . . c17669_2ldj 1 143 2 OR . 1 1 19 19 PRO HG2 H . . . 1 1 5 5 GLN HG3 H . . . . . 0.558 0.000 6.000 . . . . . A . 19 PRO HG2 . . A . 5 GLN HG3 . . . 19 . HG1 . . . . . 5 . HG2 . . c17669_2ldj 1 144 1 . . 1 1 1 1 ASN HA H . . . 1 1 1 1 ASN HD21 H . . . . . 0.808 0.000 6.000 . . . . . A . 1 ASN HA . . A . 1 ASN HD21 . . . 1 . HA . . . . . 1 . HD21 . . c17669_2ldj 1 145 1 . . 1 1 1 1 ASN HA H . . . 1 1 1 1 ASN HB2 H . . . . . 6.250 1.368 11.132 . . . . . A . 1 ASN HA . . A . 1 ASN HB2 . . . 1 . HA . . . . . 1 . HB1 . . c17669_2ldj 1 146 1 . . 1 1 1 1 ASN HB2 H . . . 1 1 1 1 ASN HD21 H . . . . . 0.579 0.000 6.000 . . . . . A . 1 ASN HB2 . . A . 1 ASN HD21 . . . 1 . HB1 . . . . . 1 . HD21 . . c17669_2ldj 1 147 1 . . 1 1 1 1 ASN HB2 H . . . 1 1 1 1 ASN HD22 H . . . . . 0.727 0.000 6.000 . . . . . A . 1 ASN HB2 . . A . 1 ASN HD22 . . . 1 . HB1 . . . . . 1 . HD22 . . c17669_2ldj 1 148 1 . . 1 1 1 1 ASN HB2 H . . . 1 1 4 4 ILE H H . . . . . 0.790 0.000 6.000 . . . . . A . 1 ASN HB2 . . A . 4 ILE H . . . 1 . HB1 . . . . . 4 . HN . . c17669_2ldj 1 149 1 . . 1 1 1 1 ASN HA H . . . 1 1 1 1 ASN HB3 H . . . . . 0.546 0.000 6.000 . . . . . A . 1 ASN HA . . A . 1 ASN HB3 . . . 1 . HA . . . . . 1 . HB2 . . c17669_2ldj 1 150 1 . . 1 1 1 1 ASN HB3 H . . . 1 1 1 1 ASN HD21 H . . . . . 0.615 0.000 6.000 . . . . . A . 1 ASN HB3 . . A . 1 ASN HD21 . . . 1 . HB2 . . . . . 1 . HD21 . . c17669_2ldj 1 151 1 . . 1 1 1 1 ASN HB3 H . . . 1 1 1 1 ASN HD22 H . . . . . 0.723 0.000 6.000 . . . . . A . 1 ASN HB3 . . A . 1 ASN HD22 . . . 1 . HB2 . . . . . 1 . HD22 . . c17669_2ldj 1 152 1 . . 1 1 1 1 ASN HB3 H . . . 1 1 2 2 LEU H H . . . . . 0.712 0.000 6.000 . . . . . A . 1 ASN HB3 . . A . 2 LEU H . . . 1 . HB2 . . . . . 2 . HN . . c17669_2ldj 1 153 1 . . 1 1 1 1 ASN HB3 H . . . 1 1 4 4 ILE H H . . . . . 0.639 0.000 6.000 . . . . . A . 1 ASN HB3 . . A . 4 ILE H . . . 1 . HB2 . . . . . 4 . HN . . c17669_2ldj 1 154 1 . . 1 1 1 1 ASN HD21 H . . . 1 1 1 1 ASN HD22 H . . . . . 0.404 0.000 6.000 . . . . . A . 1 ASN HD21 . . A . 1 ASN HD22 . . . 1 . HD21 . . . . . 1 . HD22 . . c17669_2ldj 1 155 1 . . 1 1 2 2 LEU H H . . . 1 1 2 2 LEU HA H . . . . . 0.594 0.000 6.000 . . . . . A . 2 LEU H . . A . 2 LEU HA . . . 2 . HN . . . . . 2 . HA . . c17669_2ldj 1 156 1 . . 1 1 3 3 TYR H H . . . 1 1 2 2 LEU HA H . . . . . 0.645 0.000 6.000 . . . . . A . 3 TYR H . . A . 2 LEU HA . . . 3 . HN . . . . . 2 . HA . . c17669_2ldj 1 157 1 . . 1 1 2 2 LEU HB2 H . . . 1 1 2 2 LEU HA H . . . . . 0.508 0.000 6.000 . . . . . A . 2 LEU HB2 . . A . 2 LEU HA . . . 2 . HB1 . . . . . 2 . HA . . c17669_2ldj 1 158 1 . . 1 1 4 4 ILE HG12 H . . . 1 1 4 4 ILE HB H . . . . . 0.519 0.000 6.000 . . . . . A . 4 ILE HG12 . . A . 4 ILE HB . . . 4 . HG11 . . . . . 4 . HB . . c17669_2ldj 1 159 1 . . 1 1 4 4 ILE HG12 H . . . 1 1 5 5 GLN HG3 H . . . . . 0.628 0.000 6.000 . . . . . A . 4 ILE HG12 . . A . 5 GLN HG3 . . . 4 . HG11 . . . . . 5 . HG2 . . c17669_2ldj 1 160 1 . . 1 1 2 2 LEU H H . . . 1 1 4 4 ILE MD H . . . . . 0.708 0.000 6.000 . . . . . A . 2 LEU H . . A . 4 ILE MD . . . 2 . HN . . . . . 4 . HD11 . . c17669_2ldj 1 161 1 . . 1 1 3 3 TYR H H . . . 1 1 4 4 ILE MD H . . . . . 0.822 0.000 6.000 . . . . . A . 3 TYR H . . A . 4 ILE MD . . . 3 . HN . . . . . 4 . HD11 . . c17669_2ldj 1 162 1 . . 1 1 4 4 ILE MD H . . . 1 1 5 5 GLN HG3 H . . . . . 0.646 0.000 6.000 . . . . . A . 4 ILE MD . . A . 5 GLN HG3 . . . 4 . HD11 . . . . . 5 . HG2 . . c17669_2ldj 1 163 1 . . 1 1 4 4 ILE MD H . . . 1 1 1 1 ASN HD21 H . . . . . 0.769 0.000 6.000 . . . . . A . 4 ILE MD . . A . 1 ASN HD21 . . . 4 . HD11 . . . . . 1 . HD21 . . c17669_2ldj 1 164 1 . . 1 1 4 4 ILE MD H . . . 1 1 5 5 GLN HG2 H . . . . . 0.737 0.000 6.000 . . . . . A . 4 ILE MD . . A . 5 GLN HG2 . . . 4 . HD11 . . . . . 5 . HG1 . . c17669_2ldj 1 165 1 OR . 1 1 20 20 SER H H . . . 1 1 2 2 LEU MD1 H . . . . . 0.816 0.000 6.000 . . . . . A . 20 SER H . . A . 2 LEU MD1 . . . 20 . HN . . . . . 2 . HD11 . . c17669_2ldj 1 165 2 OR . 1 1 20 20 SER H H . . . 1 1 2 2 LEU MD2 H . . . . . 0.816 0.000 6.000 . . . . . A . 20 SER H . . A . 2 LEU MD2 . . . 20 . HN . . . . . 2 . HD21 . . c17669_2ldj 1 166 1 OR . 1 1 3 3 TYR HA H . . . 1 1 3 3 TYR HD2 H . . . . . 0.539 0.000 6.000 . . . . . A . 3 TYR HA . . A . 3 TYR HD2 . . . 3 . HA . . . . . 3 . HD2 . . c17669_2ldj 1 166 2 OR . 1 1 3 3 TYR HA H . . . 1 1 3 3 TYR HD1 H . . . . . 0.539 0.000 6.000 . . . . . A . 3 TYR HA . . A . 3 TYR HD1 . . . 3 . HA . . . . . 3 . HD1 . . c17669_2ldj 1 167 1 . . 1 1 3 3 TYR H H . . . 1 1 3 3 TYR HA H . . . . . 0.584 0.000 6.000 . . . . . A . 3 TYR H . . A . 3 TYR HA . . . 3 . HN . . . . . 3 . HA . . c17669_2ldj 1 168 1 . . 1 1 3 3 TYR HA H . . . 1 1 6 6 TRP HE3 H . . . . . 0.690 0.000 6.000 . . . . . A . 3 TYR HA . . A . 6 TRP HE3 . . . 3 . HA . . . . . 6 . HE3 . . c17669_2ldj 1 169 1 . . 1 1 6 6 TRP H H . . . 1 1 3 3 TYR HA H . . . . . 0.638 0.000 6.000 . . . . . A . 6 TRP H . . A . 3 TYR HA . . . 6 . HN . . . . . 3 . HA . . c17669_2ldj 1 170 1 OR . 1 1 4 4 ILE H H . . . 1 1 3 3 TYR HB2 H . . . . . 0.554 0.000 6.000 . . . . . A . 4 ILE H . . A . 3 TYR HB2 . . . 4 . HN . . . . . 3 . HB1 . . c17669_2ldj 1 170 2 OR . 1 1 4 4 ILE H H . . . 1 1 3 3 TYR HB3 H . . . . . 0.554 0.000 6.000 . . . . . A . 4 ILE H . . A . 3 TYR HB3 . . . 4 . HN . . . . . 3 . HB2 . . c17669_2ldj 1 171 1 OR . 1 1 3 3 TYR H H . . . 1 1 3 3 TYR HB2 H . . . . . 0.466 0.000 6.000 . . . . . A . 3 TYR H . . A . 3 TYR HB2 . . . 3 . HN . . . . . 3 . HB1 . . c17669_2ldj 1 171 2 OR . 1 1 3 3 TYR H H . . . 1 1 3 3 TYR HB3 H . . . . . 0.466 0.000 6.000 . . . . . A . 3 TYR H . . A . 3 TYR HB3 . . . 3 . HN . . . . . 3 . HB2 . . c17669_2ldj 1 172 1 OR . 1 1 4 4 ILE H H . . . 1 1 3 3 TYR HD2 H . . . . . 0.714 0.000 6.000 . . . . . A . 4 ILE H . . A . 3 TYR HD2 . . . 4 . HN . . . . . 3 . HD2 . . c17669_2ldj 1 172 2 OR . 1 1 4 4 ILE H H . . . 1 1 3 3 TYR HD1 H . . . . . 0.714 0.000 6.000 . . . . . A . 4 ILE H . . A . 3 TYR HD1 . . . 4 . HN . . . . . 3 . HD1 . . c17669_2ldj 1 173 1 OR . 1 1 6 6 TRP HE3 H . . . 1 1 3 3 TYR HE2 H . . . . . 0.528 0.000 6.000 . . . . . A . 6 TRP HE3 . . A . 3 TYR HE2 . . . 6 . HE3 . . . . . 3 . HE2 . . c17669_2ldj 1 173 2 OR . 1 1 6 6 TRP HE3 H . . . 1 1 3 3 TYR HE1 H . . . . . 0.528 0.000 6.000 . . . . . A . 6 TRP HE3 . . A . 3 TYR HE1 . . . 6 . HE3 . . . . . 3 . HE1 . . c17669_2ldj 1 174 1 OR . 1 1 6 6 TRP HZ3 H . . . 1 1 3 3 TYR HE2 H . . . . . 0.590 0.000 6.000 . . . . . A . 6 TRP HZ3 . . A . 3 TYR HE2 . . . 6 . HZ3 . . . . . 3 . HE2 . . c17669_2ldj 1 174 2 OR . 1 1 6 6 TRP HZ3 H . . . 1 1 3 3 TYR HE1 H . . . . . 0.590 0.000 6.000 . . . . . A . 6 TRP HZ3 . . A . 3 TYR HE1 . . . 6 . HZ3 . . . . . 3 . HE1 . . c17669_2ldj 1 175 1 OR . 1 1 3 3 TYR HD2 H . . . 1 1 3 3 TYR HE2 H . . . . . 0.432 0.000 6.000 . . . . . A . 3 TYR HD2 . . A . 3 TYR HE2 . . . 3 . HD2 . . . . . 3 . HE2 . . c17669_2ldj 1 175 2 OR . 1 1 3 3 TYR HD1 H . . . 1 1 3 3 TYR HE2 H . . . . . 0.432 0.000 6.000 . . . . . A . 3 TYR HD1 . . A . 3 TYR HE2 . . . 3 . HD1 . . . . . 3 . HE2 . . c17669_2ldj 1 175 3 OR . 1 1 3 3 TYR HD2 H . . . 1 1 3 3 TYR HE1 H . . . . . 0.432 0.000 6.000 . . . . . A . 3 TYR HD2 . . A . 3 TYR HE1 . . . 3 . HD2 . . . . . 3 . HE1 . . c17669_2ldj 1 175 4 OR . 1 1 3 3 TYR HD1 H . . . 1 1 3 3 TYR HE1 H . . . . . 0.432 0.000 6.000 . . . . . A . 3 TYR HD1 . . A . 3 TYR HE1 . . . 3 . HD1 . . . . . 3 . HE1 . . c17669_2ldj 1 176 1 . . 1 1 3 3 TYR H H . . . 1 1 2 2 LEU H H . . . . . 0.607 0.000 6.000 . . . . . A . 3 TYR H . . A . 2 LEU H . . . 3 . HN . . . . . 2 . HN . . c17669_2ldj 1 177 1 OR . 1 1 3 3 TYR HD2 H . . . 1 1 4 4 ILE HA H . . . . . 0.651 0.000 6.000 . . . . . A . 3 TYR HD2 . . A . 4 ILE HA . . . 3 . HD2 . . . . . 4 . HA . . c17669_2ldj 1 177 2 OR . 1 1 3 3 TYR HD1 H . . . 1 1 4 4 ILE HA H . . . . . 0.651 0.000 6.000 . . . . . A . 3 TYR HD1 . . A . 4 ILE HA . . . 3 . HD1 . . . . . 4 . HA . . c17669_2ldj 1 178 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE HA H . . . . . 0.570 0.000 6.000 . . . . . A . 4 ILE H . . A . 4 ILE HA . . . 4 . HN . . . . . 4 . HA . . c17669_2ldj 1 179 1 . . 1 1 4 4 ILE HA H . . . 1 1 5 5 GLN H H . . . . . 0.664 0.000 6.000 . . . . . A . 4 ILE HA . . A . 5 GLN H . . . 4 . HA . . . . . 5 . HN . . c17669_2ldj 1 180 1 . . 1 1 7 7 LEU H H . . . 1 1 4 4 ILE HA H . . . . . 0.640 0.000 6.000 . . . . . A . 7 LEU H . . A . 4 ILE HA . . . 7 . HN . . . . . 4 . HA . . c17669_2ldj 1 181 1 . . 1 1 4 4 ILE HA H . . . 1 1 8 8 LYS H H . . . . . 0.748 0.000 6.000 . . . . . A . 4 ILE HA . . A . 8 LYS H . . . 4 . HA . . . . . 8 . HN . . c17669_2ldj 1 182 1 . . 1 1 19 19 PRO HA H . . . 1 1 19 19 PRO HB3 H . . . . . 0.628 0.000 6.000 . . . . . A . 19 PRO HA . . A . 19 PRO HB3 . . . 19 . HA . . . . . 19 . HB2 . . c17669_2ldj 1 183 1 . . 1 1 1 1 ASN HB3 H . . . 1 1 4 4 ILE HB H . . . . . 0.544 0.000 6.000 . . . . . A . 1 ASN HB3 . . A . 4 ILE HB . . . 1 . HB2 . . . . . 4 . HB . . c17669_2ldj 1 184 1 . . 1 1 4 4 ILE HB H . . . 1 1 4 4 ILE HA H . . . . . 0.530 0.000 6.000 . . . . . A . 4 ILE HB . . A . 4 ILE HA . . . 4 . HB . . . . . 4 . HA . . c17669_2ldj 1 185 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE HB H . . . . . 0.487 0.000 6.000 . . . . . A . 4 ILE H . . A . 4 ILE HB . . . 4 . HN . . . . . 4 . HB . . c17669_2ldj 1 186 1 . . 1 1 4 4 ILE HB H . . . 1 1 5 5 GLN H H . . . . . 0.567 0.000 6.000 . . . . . A . 4 ILE HB . . A . 5 GLN H . . . 4 . HB . . . . . 5 . HN . . c17669_2ldj 1 187 1 . . 1 1 4 4 ILE MD H . . . 1 1 1 1 ASN HD22 H . . . . . 0.745 0.000 6.000 . . . . . A . 4 ILE MD . . A . 1 ASN HD22 . . . 4 . HD11 . . . . . 1 . HD22 . . c17669_2ldj 1 188 1 . . 1 1 4 4 ILE MD H . . . 1 1 4 4 ILE HG13 H . . . . . 0.480 0.000 6.000 . . . . . A . 4 ILE MD . . A . 4 ILE HG13 . . . 4 . HD11 . . . . . 4 . HG12 . . c17669_2ldj 1 189 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE MD H . . . . . 0.626 0.000 6.000 . . . . . A . 4 ILE H . . A . 4 ILE MD . . . 4 . HN . . . . . 4 . HD11 . . c17669_2ldj 1 190 1 . . 1 1 4 4 ILE HG13 H . . . 1 1 1 1 ASN HD22 H . . . . . 0.876 0.000 6.000 . . . . . A . 4 ILE HG13 . . A . 1 ASN HD22 . . . 4 . HG12 . . . . . 1 . HD22 . . c17669_2ldj 1 191 1 . . 1 1 4 4 ILE HA H . . . 1 1 4 4 ILE HG13 H . . . . . 0.587 0.000 6.000 . . . . . A . 4 ILE HA . . A . 4 ILE HG13 . . . 4 . HA . . . . . 4 . HG12 . . c17669_2ldj 1 192 1 OR . 1 1 17 17 PRO HG2 H . . . 1 1 18 18 PRO HG2 H . . . . . 7.126 0.778 13.474 . . . . . A . 17 PRO HG2 . . A . 18 PRO HG2 . . . 17 . HG1 . . . . . 18 . HG1 . . c17669_2ldj 1 192 2 OR . 1 1 17 17 PRO HG2 H . . . 1 1 18 18 PRO HG3 H . . . . . 7.126 0.778 13.474 . . . . . A . 17 PRO HG2 . . A . 18 PRO HG3 . . . 17 . HG1 . . . . . 18 . HG2 . . c17669_2ldj 1 193 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE HG13 H . . . . . 0.561 0.000 6.000 . . . . . A . 4 ILE H . . A . 4 ILE HG13 . . . 4 . HN . . . . . 4 . HG12 . . c17669_2ldj 1 194 1 . . 1 1 5 5 GLN H H . . . 1 1 4 4 ILE HG13 H . . . . . 0.781 0.000 6.000 . . . . . A . 5 GLN H . . A . 4 ILE HG13 . . . 5 . HN . . . . . 4 . HG12 . . c17669_2ldj 1 195 1 . . 1 1 4 4 ILE HG12 H . . . 1 1 1 1 ASN HD22 H . . . . . 5.726 1.628 9.824 . . . . . A . 4 ILE HG12 . . A . 1 ASN HD22 . . . 4 . HG11 . . . . . 1 . HD22 . . c17669_2ldj 1 196 1 . . 1 1 4 4 ILE HG12 H . . . 1 1 4 4 ILE HG13 H . . . . . 0.403 0.000 6.000 . . . . . A . 4 ILE HG12 . . A . 4 ILE HG13 . . . 4 . HG11 . . . . . 4 . HG12 . . c17669_2ldj 1 197 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE HG12 H . . . . . 0.551 0.000 6.000 . . . . . A . 4 ILE H . . A . 4 ILE HG12 . . . 4 . HN . . . . . 4 . HG11 . . c17669_2ldj 1 198 1 OR . 1 1 2 2 LEU MD2 H . . . 1 1 19 19 PRO HB3 H . . . . . 0.464 0.000 6.000 . . . . . A . 2 LEU MD2 . . A . 19 PRO HB3 . . . 2 . HD21 . . . . . 19 . HB2 . . c17669_2ldj 1 198 2 OR . 1 1 2 2 LEU MD1 H . . . 1 1 19 19 PRO HB3 H . . . . . 0.464 0.000 6.000 . . . . . A . 2 LEU MD1 . . A . 19 PRO HB3 . . . 2 . HD11 . . . . . 19 . HB2 . . c17669_2ldj 1 199 1 . . 1 1 4 4 ILE MD H . . . 1 1 5 5 GLN HA H . . . . . 0.589 0.000 6.000 . . . . . A . 4 ILE MD . . A . 5 GLN HA . . . 4 . HD11 . . . . . 5 . HA . . c17669_2ldj 1 200 1 . . 1 1 4 4 ILE MD H . . . 1 1 5 5 GLN H H . . . . . 0.667 0.000 6.000 . . . . . A . 4 ILE MD . . A . 5 GLN H . . . 4 . HD11 . . . . . 5 . HN . . c17669_2ldj 1 201 1 . . 1 1 3 3 TYR H H . . . 1 1 4 4 ILE H H . . . . . 0.561 0.000 6.000 . . . . . A . 3 TYR H . . A . 4 ILE H . . . 3 . HN . . . . . 4 . HN . . c17669_2ldj 1 202 1 . . 1 1 5 5 GLN HA H . . . 1 1 5 5 GLN HE21 H . . . . . 0.751 0.000 6.000 . . . . . A . 5 GLN HA . . A . 5 GLN HE21 . . . 5 . HA . . . . . 5 . HE21 . . c17669_2ldj 1 203 1 . . 1 1 5 5 GLN H H . . . 1 1 5 5 GLN HA H . . . . . 0.569 0.000 6.000 . . . . . A . 5 GLN H . . A . 5 GLN HA . . . 5 . HN . . . . . 5 . HA . . c17669_2ldj 1 204 1 . . 1 1 6 6 TRP H H . . . 1 1 5 5 GLN HA H . . . . . 0.661 0.000 6.000 . . . . . A . 6 TRP H . . A . 5 GLN HA . . . 6 . HN . . . . . 5 . HA . . c17669_2ldj 1 205 1 . . 1 1 7 7 LEU H H . . . 1 1 5 5 GLN HA H . . . . . 0.721 0.000 6.000 . . . . . A . 7 LEU H . . A . 5 GLN HA . . . 7 . HN . . . . . 5 . HA . . c17669_2ldj 1 206 1 OR . 1 1 5 5 GLN HE21 H . . . 1 1 5 5 GLN HB2 H . . . . . 0.821 0.000 6.000 . . . . . A . 5 GLN HE21 . . A . 5 GLN HB2 . . . 5 . HE21 . . . . . 5 . HB1 . . c17669_2ldj 1 206 2 OR . 1 1 5 5 GLN HE21 H . . . 1 1 5 5 GLN HB3 H . . . . . 0.821 0.000 6.000 . . . . . A . 5 GLN HE21 . . A . 5 GLN HB3 . . . 5 . HE21 . . . . . 5 . HB2 . . c17669_2ldj 1 207 1 OR . 1 1 5 5 GLN HG3 H . . . 1 1 5 5 GLN HB2 H . . . . . 7.006 0.870 13.142 . . . . . A . 5 GLN HG3 . . A . 5 GLN HB2 . . . 5 . HG2 . . . . . 5 . HB1 . . c17669_2ldj 1 207 2 OR . 1 1 5 5 GLN HG3 H . . . 1 1 5 5 GLN HB3 H . . . . . 7.006 0.870 13.142 . . . . . A . 5 GLN HG3 . . A . 5 GLN HB3 . . . 5 . HG2 . . . . . 5 . HB2 . . c17669_2ldj 1 208 1 OR . 1 1 5 5 GLN HG2 H . . . 1 1 5 5 GLN HB2 H . . . . . 0.467 0.000 6.000 . . . . . A . 5 GLN HG2 . . A . 5 GLN HB2 . . . 5 . HG1 . . . . . 5 . HB1 . . c17669_2ldj 1 208 2 OR . 1 1 5 5 GLN HG2 H . . . 1 1 5 5 GLN HB3 H . . . . . 0.467 0.000 6.000 . . . . . A . 5 GLN HG2 . . A . 5 GLN HB3 . . . 5 . HG1 . . . . . 5 . HB2 . . c17669_2ldj 1 209 1 OR . 1 1 5 5 GLN H H . . . 1 1 5 5 GLN HB2 H . . . . . 0.548 0.000 6.000 . . . . . A . 5 GLN H . . A . 5 GLN HB2 . . . 5 . HN . . . . . 5 . HB1 . . c17669_2ldj 1 209 2 OR . 1 1 5 5 GLN H H . . . 1 1 5 5 GLN HB3 H . . . . . 0.548 0.000 6.000 . . . . . A . 5 GLN H . . A . 5 GLN HB3 . . . 5 . HN . . . . . 5 . HB2 . . c17669_2ldj 1 210 1 OR . 1 1 6 6 TRP H H . . . 1 1 5 5 GLN HB2 H . . . . . 0.596 0.000 6.000 . . . . . A . 6 TRP H . . A . 5 GLN HB2 . . . 6 . HN . . . . . 5 . HB1 . . c17669_2ldj 1 210 2 OR . 1 1 6 6 TRP H H . . . 1 1 5 5 GLN HB3 H . . . . . 0.596 0.000 6.000 . . . . . A . 6 TRP H . . A . 5 GLN HB3 . . . 6 . HN . . . . . 5 . HB2 . . c17669_2ldj 1 211 1 OR . 1 1 6 6 TRP HA H . . . 1 1 5 5 GLN HB2 H . . . . . 0.573 0.000 6.000 . . . . . A . 6 TRP HA . . A . 5 GLN HB2 . . . 6 . HA . . . . . 5 . HB1 . . c17669_2ldj 1 211 2 OR . 1 1 6 6 TRP HA H . . . 1 1 5 5 GLN HB3 H . . . . . 0.573 0.000 6.000 . . . . . A . 6 TRP HA . . A . 5 GLN HB3 . . . 6 . HA . . . . . 5 . HB2 . . c17669_2ldj 1 212 1 . . 1 1 5 5 GLN HE22 H . . . 1 1 5 5 GLN HE21 H . . . . . 0.411 0.000 6.000 . . . . . A . 5 GLN HE22 . . A . 5 GLN HE21 . . . 5 . HE22 . . . . . 5 . HE21 . . c17669_2ldj 1 213 1 . . 1 1 5 5 GLN HG3 H . . . 1 1 5 5 GLN HE21 H . . . . . 0.811 0.000 6.000 . . . . . A . 5 GLN HG3 . . A . 5 GLN HE21 . . . 5 . HG2 . . . . . 5 . HE21 . . c17669_2ldj 1 214 1 . . 1 1 5 5 GLN HG3 H . . . 1 1 5 5 GLN HG2 H . . . . . 0.468 0.000 6.000 . . . . . A . 5 GLN HG3 . . A . 5 GLN HG2 . . . 5 . HG2 . . . . . 5 . HG1 . . c17669_2ldj 1 215 1 . . 1 1 5 5 GLN H H . . . 1 1 5 5 GLN HG3 H . . . . . 0.519 0.485 0.553 . . . . . A . 5 GLN H . . A . 5 GLN HG3 . . . 5 . HN . . . . . 5 . HG2 . . c17669_2ldj 1 216 1 . . 1 1 20 20 SER H H . . . 1 1 19 19 PRO HB2 H . . . . . 0.593 0.000 6.000 . . . . . A . 20 SER H . . A . 19 PRO HB2 . . . 20 . HN . . . . . 19 . HB1 . . c17669_2ldj 1 217 1 . . 1 1 5 5 GLN HA H . . . 1 1 5 5 GLN HG2 H . . . . . 0.562 0.000 6.000 . . . . . A . 5 GLN HA . . A . 5 GLN HG2 . . . 5 . HA . . . . . 5 . HG1 . . c17669_2ldj 1 218 1 . . 1 1 5 5 GLN HG2 H . . . 1 1 5 5 GLN HE21 H . . . . . 0.521 0.000 6.000 . . . . . A . 5 GLN HG2 . . A . 5 GLN HE21 . . . 5 . HG1 . . . . . 5 . HE21 . . c17669_2ldj 1 219 1 . . 1 1 5 5 GLN H H . . . 1 1 5 5 GLN HG2 H . . . . . 0.606 0.560 0.652 . . . . . A . 5 GLN H . . A . 5 GLN HG2 . . . 5 . HN . . . . . 5 . HG1 . . c17669_2ldj 1 220 1 . . 1 1 3 3 TYR H H . . . 1 1 5 5 GLN H H . . . . . 0.842 0.000 6.000 . . . . . A . 3 TYR H . . A . 5 GLN H . . . 3 . HN . . . . . 5 . HN . . c17669_2ldj 1 221 1 . . 1 1 4 4 ILE H H . . . 1 1 5 5 GLN H H . . . . . 0.574 0.000 6.000 . . . . . A . 4 ILE H . . A . 5 GLN H . . . 4 . HN . . . . . 5 . HN . . c17669_2ldj 1 222 1 . . 1 1 6 6 TRP H H . . . 1 1 5 5 GLN H H . . . . . 0.574 0.000 6.000 . . . . . A . 6 TRP H . . A . 5 GLN H . . . 6 . HN . . . . . 5 . HN . . c17669_2ldj 1 223 1 . . 1 1 7 7 LEU H H . . . 1 1 5 5 GLN H H . . . . . 5.602 1.680 9.524 . . . . . A . 7 LEU H . . A . 5 GLN H . . . 7 . HN . . . . . 5 . HN . . c17669_2ldj 1 224 1 . . 1 1 6 6 TRP HA H . . . 1 1 6 6 TRP HD1 H . . . . . 0.593 0.000 6.000 . . . . . A . 6 TRP HA . . A . 6 TRP HD1 . . . 6 . HA . . . . . 6 . HD1 . . c17669_2ldj 1 225 1 . . 1 1 6 6 TRP HA H . . . 1 1 6 6 TRP HE3 H . . . . . 0.583 0.000 6.000 . . . . . A . 6 TRP HA . . A . 6 TRP HE3 . . . 6 . HA . . . . . 6 . HE3 . . c17669_2ldj 1 226 1 . . 1 1 6 6 TRP HA H . . . 1 1 6 6 TRP HZ3 H . . . . . 0.642 0.000 6.000 . . . . . A . 6 TRP HA . . A . 6 TRP HZ3 . . . 6 . HA . . . . . 6 . HZ3 . . c17669_2ldj 1 227 1 . . 1 1 20 20 SER H H . . . 1 1 20 20 SER HA H . . . . . 0.548 0.000 6.000 . . . . . A . 20 SER H . . A . 20 SER HA . . . 20 . HN . . . . . 20 . HA . . c17669_2ldj 1 228 1 . . 1 1 6 6 TRP HA H . . . 1 1 7 7 LEU H H . . . . . 0.692 0.000 6.000 . . . . . A . 6 TRP HA . . A . 7 LEU H . . . 6 . HA . . . . . 7 . HN . . c17669_2ldj 1 229 1 . . 1 1 9 9 ASP H H . . . 1 1 10 10 Dgn HA H . . . . . 0.665 0.000 6.000 . . . . . A . 9 ASP H . . A . 10 DGN HA . . . 9 . HN . . . . . 10 . HA . . c17669_2ldj 1 230 1 OR . 1 1 2 2 LEU HA H . . . 1 1 3 3 TYR HB2 H . . . . . 0.483 0.000 6.000 . . . . . A . 2 LEU HA . . A . 3 TYR HB2 . . . 2 . HA . . . . . 3 . HB1 . . c17669_2ldj 1 230 2 OR . 1 1 2 2 LEU HA H . . . 1 1 3 3 TYR HB3 H . . . . . 0.483 0.000 6.000 . . . . . A . 2 LEU HA . . A . 3 TYR HB3 . . . 2 . HA . . . . . 3 . HB2 . . c17669_2ldj 1 231 1 . . 1 1 6 6 TRP HB3 H . . . 1 1 6 6 TRP HB2 H . . . . . 0.381 0.000 6.000 . . . . . A . 6 TRP HB3 . . A . 6 TRP HB2 . . . 6 . HB2 . . . . . 6 . HB1 . . c17669_2ldj 1 232 1 . . 1 1 6 6 TRP HE3 H . . . 1 1 6 6 TRP HB3 H . . . . . 0.588 0.000 6.000 . . . . . A . 6 TRP HE3 . . A . 6 TRP HB3 . . . 6 . HE3 . . . . . 6 . HB2 . . c17669_2ldj 1 233 1 . . 1 1 6 6 TRP H H . . . 1 1 6 6 TRP HB3 H . . . . . 0.511 0.000 6.000 . . . . . A . 6 TRP H . . A . 6 TRP HB3 . . . 6 . HN . . . . . 6 . HB2 . . c17669_2ldj 1 234 1 . . 1 1 11 11 GLY H H . . . 1 1 11 11 GLY HA2 H . . . . . 0.549 0.000 6.000 . . . . . A . 11 GLY H . . A . 11 GLY HA2 . . . 11 . HN . . . . . 11 . HA1 . . c17669_2ldj 1 235 1 . . 1 1 3 3 TYR HA H . . . 1 1 6 6 TRP HB2 H . . . . . 0.530 0.000 6.000 . . . . . A . 3 TYR HA . . A . 6 TRP HB2 . . . 3 . HA . . . . . 6 . HB1 . . c17669_2ldj 1 236 1 OR . 1 1 3 3 TYR HD2 H . . . 1 1 6 6 TRP HB2 H . . . . . 0.451 0.000 6.000 . . . . . A . 3 TYR HD2 . . A . 6 TRP HB2 . . . 3 . HD2 . . . . . 6 . HB1 . . c17669_2ldj 1 236 2 OR . 1 1 3 3 TYR HD1 H . . . 1 1 6 6 TRP HB2 H . . . . . 0.451 0.000 6.000 . . . . . A . 3 TYR HD1 . . A . 6 TRP HB2 . . . 3 . HD1 . . . . . 6 . HB1 . . c17669_2ldj 1 237 1 . . 1 1 6 6 TRP HA H . . . 1 1 6 6 TRP HB2 H . . . . . 0.621 0.000 6.000 . . . . . A . 6 TRP HA . . A . 6 TRP HB2 . . . 6 . HA . . . . . 6 . HB1 . . c17669_2ldj 1 238 1 . . 1 1 6 6 TRP HD1 H . . . 1 1 6 6 TRP HB2 H . . . . . 0.680 0.000 6.000 . . . . . A . 6 TRP HD1 . . A . 6 TRP HB2 . . . 6 . HD1 . . . . . 6 . HB1 . . c17669_2ldj 1 239 1 . . 1 1 6 6 TRP H H . . . 1 1 6 6 TRP HB2 H . . . . . 0.507 0.000 6.000 . . . . . A . 6 TRP H . . A . 6 TRP HB2 . . . 6 . HN . . . . . 6 . HB1 . . c17669_2ldj 1 240 1 . . 1 1 7 7 LEU H H . . . 1 1 6 6 TRP HB2 H . . . . . 0.564 0.000 6.000 . . . . . A . 7 LEU H . . A . 6 TRP HB2 . . . 7 . HN . . . . . 6 . HB1 . . c17669_2ldj 1 241 1 . . 1 1 6 6 TRP H H . . . 1 1 6 6 TRP HE3 H . . . . . 0.730 0.000 6.000 . . . . . A . 6 TRP H . . A . 6 TRP HE3 . . . 6 . HN . . . . . 6 . HE3 . . c17669_2ldj 1 242 1 . . 1 1 6 6 TRP HH2 H . . . 1 1 6 6 TRP HZ3 H . . . . . 5.742 1.620 9.864 . . . . . A . 6 TRP HH2 . . A . 6 TRP HZ3 . . . 6 . HH2 . . . . . 6 . HZ3 . . c17669_2ldj 1 243 1 . . 1 1 6 6 TRP H H . . . 1 1 7 7 LEU H H . . . . . 0.581 0.000 6.000 . . . . . A . 6 TRP H . . A . 7 LEU H . . . 6 . HN . . . . . 7 . HN . . c17669_2ldj 1 244 1 OR . 1 1 7 7 LEU HG H . . . 1 1 3 3 TYR HE2 H . . . . . 0.667 0.000 6.000 . . . . . A . 7 LEU HG . . A . 3 TYR HE2 . . . 7 . HG . . . . . 3 . HE2 . . c17669_2ldj 1 244 2 OR . 1 1 7 7 LEU HG H . . . 1 1 3 3 TYR HE1 H . . . . . 0.667 0.000 6.000 . . . . . A . 7 LEU HG . . A . 3 TYR HE1 . . . 7 . HG . . . . . 3 . HE1 . . c17669_2ldj 1 245 1 . . 1 1 7 7 LEU HA H . . . 1 1 10 10 Dgn H H . . . . . 0.648 0.000 6.000 . . . . . A . 7 LEU HA . . A . 10 DGN H . . . 7 . HA . . . . . 10 . HN . . c17669_2ldj 1 246 1 . . 1 1 4 4 ILE HA H . . . 1 1 7 7 LEU HB3 H . . . . . 0.544 0.000 6.000 . . . . . A . 4 ILE HA . . A . 7 LEU HB3 . . . 4 . HA . . . . . 7 . HB2 . . c17669_2ldj 1 247 1 . . 1 1 7 7 LEU HA H . . . 1 1 7 7 LEU HB3 H . . . . . 0.527 0.000 6.000 . . . . . A . 7 LEU HA . . A . 7 LEU HB3 . . . 7 . HA . . . . . 7 . HB2 . . c17669_2ldj 1 248 1 . . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU HB3 H . . . . . 0.509 0.000 6.000 . . . . . A . 7 LEU H . . A . 7 LEU HB3 . . . 7 . HN . . . . . 7 . HB2 . . c17669_2ldj 1 249 1 . . 1 1 7 7 LEU HB3 H . . . 1 1 7 7 LEU HB2 H . . . . . 0.382 0.000 6.000 . . . . . A . 7 LEU HB3 . . A . 7 LEU HB2 . . . 7 . HB2 . . . . . 7 . HB1 . . c17669_2ldj 1 250 1 . . 1 1 7 7 LEU HG H . . . 1 1 7 7 LEU HB2 H . . . . . 0.534 0.000 6.000 . . . . . A . 7 LEU HG . . A . 7 LEU HB2 . . . 7 . HG . . . . . 7 . HB1 . . c17669_2ldj 1 251 1 . . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU HB2 H . . . . . 0.602 0.000 6.000 . . . . . A . 7 LEU H . . A . 7 LEU HB2 . . . 7 . HN . . . . . 7 . HB1 . . c17669_2ldj 1 252 1 . . 1 1 8 8 LYS H H . . . 1 1 7 7 LEU HB2 H . . . . . 0.635 0.000 6.000 . . . . . A . 8 LYS H . . A . 7 LEU HB2 . . . 8 . HN . . . . . 7 . HB1 . . c17669_2ldj 1 253 1 . . 1 1 4 4 ILE MD H . . . 1 1 7 7 LEU HB3 H . . . . . 0.483 0.000 6.000 . . . . . A . 4 ILE MD . . A . 7 LEU HB3 . . . 4 . HD11 . . . . . 7 . HB2 . . c17669_2ldj 1 254 1 OR . 1 1 2 2 LEU MD1 H . . . 1 1 3 3 TYR HB2 H . . . . . 0.566 0.000 6.000 . . . . . A . 2 LEU MD1 . . A . 3 TYR HB2 . . . 2 . HD11 . . . . . 3 . HB1 . . c17669_2ldj 1 254 2 OR . 1 1 2 2 LEU MD2 H . . . 1 1 3 3 TYR HB3 H . . . . . 0.566 0.000 6.000 . . . . . A . 2 LEU MD2 . . A . 3 TYR HB3 . . . 2 . HD21 . . . . . 3 . HB2 . . c17669_2ldj 1 254 3 OR . 1 1 2 2 LEU MD1 H . . . 1 1 3 3 TYR HB3 H . . . . . 0.566 0.000 6.000 . . . . . A . 2 LEU MD1 . . A . 3 TYR HB3 . . . 2 . HD11 . . . . . 3 . HB2 . . c17669_2ldj 1 254 4 OR . 1 1 2 2 LEU MD2 H . . . 1 1 3 3 TYR HB2 H . . . . . 0.566 0.000 6.000 . . . . . A . 2 LEU MD2 . . A . 3 TYR HB2 . . . 2 . HD21 . . . . . 3 . HB1 . . c17669_2ldj 1 255 1 OR . 1 1 3 3 TYR HD2 H . . . 1 1 7 7 LEU MD1 H . . . . . 0.706 0.000 6.000 . . . . . A . 3 TYR HD2 . . A . 7 LEU MD1 . . . 3 . HD2 . . . . . 7 . HD11 . . c17669_2ldj 1 255 2 OR . 1 1 3 3 TYR HD2 H . . . 1 1 7 7 LEU MD2 H . . . . . 0.706 0.000 6.000 . . . . . A . 3 TYR HD2 . . A . 7 LEU MD2 . . . 3 . HD2 . . . . . 7 . HD21 . . c17669_2ldj 1 255 3 OR . 1 1 3 3 TYR HD1 H . . . 1 1 7 7 LEU MD1 H . . . . . 0.706 0.000 6.000 . . . . . A . 3 TYR HD1 . . A . 7 LEU MD1 . . . 3 . HD1 . . . . . 7 . HD11 . . c17669_2ldj 1 255 4 OR . 1 1 3 3 TYR HD1 H . . . 1 1 7 7 LEU MD2 H . . . . . 0.706 0.000 6.000 . . . . . A . 3 TYR HD1 . . A . 7 LEU MD2 . . . 3 . HD1 . . . . . 7 . HD21 . . c17669_2ldj 1 256 1 OR . 1 1 3 3 TYR HE2 H . . . 1 1 7 7 LEU MD2 H . . . . . 0.596 0.000 6.000 . . . . . A . 3 TYR HE2 . . A . 7 LEU MD2 . . . 3 . HE2 . . . . . 7 . HD21 . . c17669_2ldj 1 256 2 OR . 1 1 3 3 TYR HE1 H . . . 1 1 7 7 LEU MD1 H . . . . . 0.596 0.000 6.000 . . . . . A . 3 TYR HE1 . . A . 7 LEU MD1 . . . 3 . HE1 . . . . . 7 . HD11 . . c17669_2ldj 1 256 3 OR . 1 1 3 3 TYR HE2 H . . . 1 1 7 7 LEU MD1 H . . . . . 0.596 0.000 6.000 . . . . . A . 3 TYR HE2 . . A . 7 LEU MD1 . . . 3 . HE2 . . . . . 7 . HD11 . . c17669_2ldj 1 256 4 OR . 1 1 3 3 TYR HE1 H . . . 1 1 7 7 LEU MD2 H . . . . . 0.596 0.000 6.000 . . . . . A . 3 TYR HE1 . . A . 7 LEU MD2 . . . 3 . HE1 . . . . . 7 . HD21 . . c17669_2ldj 1 257 1 OR . 1 1 6 6 TRP HH2 H . . . 1 1 7 7 LEU MD2 H . . . . . 0.709 0.000 6.000 . . . . . A . 6 TRP HH2 . . A . 7 LEU MD2 . . . 6 . HH2 . . . . . 7 . HD21 . . c17669_2ldj 1 257 2 OR . 1 1 6 6 TRP HH2 H . . . 1 1 7 7 LEU MD1 H . . . . . 0.709 0.000 6.000 . . . . . A . 6 TRP HH2 . . A . 7 LEU MD1 . . . 6 . HH2 . . . . . 7 . HD11 . . c17669_2ldj 1 258 1 OR . 1 1 6 6 TRP HZ3 H . . . 1 1 7 7 LEU MD2 H . . . . . 0.526 0.000 6.000 . . . . . A . 6 TRP HZ3 . . A . 7 LEU MD2 . . . 6 . HZ3 . . . . . 7 . HD21 . . c17669_2ldj 1 258 2 OR . 1 1 6 6 TRP HZ3 H . . . 1 1 7 7 LEU MD1 H . . . . . 0.526 0.000 6.000 . . . . . A . 6 TRP HZ3 . . A . 7 LEU MD1 . . . 6 . HZ3 . . . . . 7 . HD11 . . c17669_2ldj 1 259 1 OR . 1 1 7 7 LEU HA H . . . 1 1 7 7 LEU MD1 H . . . . . 0.475 0.000 6.000 . . . . . A . 7 LEU HA . . A . 7 LEU MD1 . . . 7 . HA . . . . . 7 . HD11 . . c17669_2ldj 1 259 2 OR . 1 1 7 7 LEU HA H . . . 1 1 7 7 LEU MD2 H . . . . . 0.475 0.000 6.000 . . . . . A . 7 LEU HA . . A . 7 LEU MD2 . . . 7 . HA . . . . . 7 . HD21 . . c17669_2ldj 1 260 1 OR . 1 1 7 7 LEU HB3 H . . . 1 1 7 7 LEU MD2 H . . . . . 0.594 0.000 6.000 . . . . . A . 7 LEU HB3 . . A . 7 LEU MD2 . . . 7 . HB2 . . . . . 7 . HD21 . . c17669_2ldj 1 260 2 OR . 1 1 7 7 LEU HB3 H . . . 1 1 7 7 LEU MD1 H . . . . . 0.594 0.000 6.000 . . . . . A . 7 LEU HB3 . . A . 7 LEU MD1 . . . 7 . HB2 . . . . . 7 . HD11 . . c17669_2ldj 1 261 1 OR . 1 1 7 7 LEU HB2 H . . . 1 1 7 7 LEU MD1 H . . . . . 0.517 0.000 6.000 . . . . . A . 7 LEU HB2 . . A . 7 LEU MD1 . . . 7 . HB1 . . . . . 7 . HD11 . . c17669_2ldj 1 261 2 OR . 1 1 7 7 LEU HB2 H . . . 1 1 7 7 LEU MD2 H . . . . . 0.517 0.000 6.000 . . . . . A . 7 LEU HB2 . . A . 7 LEU MD2 . . . 7 . HB1 . . . . . 7 . HD21 . . c17669_2ldj 1 262 1 OR . 1 1 7 7 LEU HG H . . . 1 1 7 7 LEU MD2 H . . . . . 0.475 0.000 6.000 . . . . . A . 7 LEU HG . . A . 7 LEU MD2 . . . 7 . HG . . . . . 7 . HD21 . . c17669_2ldj 1 262 2 OR . 1 1 7 7 LEU HG H . . . 1 1 7 7 LEU MD1 H . . . . . 0.475 0.000 6.000 . . . . . A . 7 LEU HG . . A . 7 LEU MD1 . . . 7 . HG . . . . . 7 . HD11 . . c17669_2ldj 1 263 1 OR . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU MD2 H . . . . . 0.685 0.000 6.000 . . . . . A . 7 LEU H . . A . 7 LEU MD2 . . . 7 . HN . . . . . 7 . HD21 . . c17669_2ldj 1 263 2 OR . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU MD1 H . . . . . 0.685 0.000 6.000 . . . . . A . 7 LEU H . . A . 7 LEU MD1 . . . 7 . HN . . . . . 7 . HD11 . . c17669_2ldj 1 264 1 OR . 1 1 8 8 LYS H H . . . 1 1 7 7 LEU MD1 H . . . . . 0.817 0.000 6.000 . . . . . A . 8 LYS H . . A . 7 LEU MD1 . . . 8 . HN . . . . . 7 . HD11 . . c17669_2ldj 1 264 2 OR . 1 1 8 8 LYS H H . . . 1 1 7 7 LEU MD2 H . . . . . 0.817 0.000 6.000 . . . . . A . 8 LYS H . . A . 7 LEU MD2 . . . 8 . HN . . . . . 7 . HD21 . . c17669_2ldj 1 265 1 OR . 1 1 6 6 TRP HB3 H . . . 1 1 7 7 LEU MD2 H . . . . . 0.570 0.000 6.000 . . . . . A . 6 TRP HB3 . . A . 7 LEU MD2 . . . 6 . HB2 . . . . . 7 . HD21 . . c17669_2ldj 1 265 2 OR . 1 1 6 6 TRP HB3 H . . . 1 1 7 7 LEU MD1 H . . . . . 0.570 0.000 6.000 . . . . . A . 6 TRP HB3 . . A . 7 LEU MD1 . . . 6 . HB2 . . . . . 7 . HD11 . . c17669_2ldj 1 266 1 OR . 1 1 11 11 GLY H H . . . 1 1 7 7 LEU MD2 H . . . . . 0.751 0.000 6.000 . . . . . A . 11 GLY H . . A . 7 LEU MD2 . . . 11 . HN . . . . . 7 . HD21 . . c17669_2ldj 1 266 2 OR . 1 1 11 11 GLY H H . . . 1 1 7 7 LEU MD1 H . . . . . 0.751 0.000 6.000 . . . . . A . 11 GLY H . . A . 7 LEU MD1 . . . 11 . HN . . . . . 7 . HD11 . . c17669_2ldj 1 267 1 OR . 1 1 8 8 LYS HD2 H . . . 1 1 7 7 LEU HB3 H . . . . . 7.156 0.756 13.556 . . . . . A . 8 LYS HD2 . . A . 7 LEU HB3 . . . 8 . HD1 . . . . . 7 . HB2 . . c17669_2ldj 1 267 2 OR . 1 1 8 8 LYS HD3 H . . . 1 1 7 7 LEU HB3 H . . . . . 7.156 0.756 13.556 . . . . . A . 8 LYS HD3 . . A . 7 LEU HB3 . . . 8 . HD2 . . . . . 7 . HB2 . . c17669_2ldj 1 268 1 . . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU HG H . . . . . 0.519 0.000 6.000 . . . . . A . 7 LEU H . . A . 7 LEU HG . . . 7 . HN . . . . . 7 . HG . . c17669_2ldj 1 269 1 . . 1 1 5 5 GLN HA H . . . 1 1 8 8 LYS H H . . . . . 0.526 0.000 6.000 . . . . . A . 5 GLN HA . . A . 8 LYS H . . . 5 . HA . . . . . 8 . HN . . c17669_2ldj 1 270 1 . . 1 1 8 8 LYS HA H . . . 1 1 9 9 ASP H H . . . . . 0.618 0.000 6.000 . . . . . A . 8 LYS HA . . A . 9 ASP H . . . 8 . HA . . . . . 9 . HN . . c17669_2ldj 1 271 1 . . 1 1 8 8 LYS HA H . . . 1 1 10 10 Dgn H H . . . . . 0.652 0.000 6.000 . . . . . A . 8 LYS HA . . A . 10 DGN H . . . 8 . HA . . . . . 10 . HN . . c17669_2ldj 1 272 1 . . 1 1 8 8 LYS H H . . . 1 1 7 7 LEU HB3 H . . . . . 0.452 0.000 6.000 . . . . . A . 8 LYS H . . A . 7 LEU HB3 . . . 8 . HN . . . . . 7 . HB2 . . c17669_2ldj 1 273 1 OR . 1 1 8 8 LYS HB2 H . . . 1 1 9 9 ASP HA H . . . . . 0.694 0.000 6.000 . . . . . A . 8 LYS HB2 . . A . 9 ASP HA . . . 8 . HB1 . . . . . 9 . HA . . c17669_2ldj 1 273 2 OR . 1 1 8 8 LYS HB3 H . . . 1 1 9 9 ASP HA H . . . . . 0.694 0.000 6.000 . . . . . A . 8 LYS HB3 . . A . 9 ASP HA . . . 8 . HB2 . . . . . 9 . HA . . c17669_2ldj 1 274 1 OR . 1 1 5 5 GLN HA H . . . 1 1 8 8 LYS HD2 H . . . . . 0.578 0.000 6.000 . . . . . A . 5 GLN HA . . A . 8 LYS HD2 . . . 5 . HA . . . . . 8 . HD1 . . c17669_2ldj 1 274 2 OR . 1 1 5 5 GLN HA H . . . 1 1 8 8 LYS HD3 H . . . . . 0.578 0.000 6.000 . . . . . A . 5 GLN HA . . A . 8 LYS HD3 . . . 5 . HA . . . . . 8 . HD2 . . c17669_2ldj 1 275 1 OR . 1 1 8 8 LYS HD2 H . . . 1 1 8 8 LYS HE2 H . . . . . 0.511 0.000 6.000 . . . . . A . 8 LYS HD2 . . A . 8 LYS HE2 . . . 8 . HD1 . . . . . 8 . HE1 . . c17669_2ldj 1 275 2 OR . 1 1 8 8 LYS HD3 H . . . 1 1 8 8 LYS HE2 H . . . . . 0.511 0.000 6.000 . . . . . A . 8 LYS HD3 . . A . 8 LYS HE2 . . . 8 . HD2 . . . . . 8 . HE1 . . c17669_2ldj 1 275 3 OR . 1 1 8 8 LYS HD3 H . . . 1 1 8 8 LYS HE3 H . . . . . 0.511 0.000 6.000 . . . . . A . 8 LYS HD3 . . A . 8 LYS HE3 . . . 8 . HD2 . . . . . 8 . HE2 . . c17669_2ldj 1 275 4 OR . 1 1 8 8 LYS HD2 H . . . 1 1 8 8 LYS HE3 H . . . . . 0.511 0.000 6.000 . . . . . A . 8 LYS HD2 . . A . 8 LYS HE3 . . . 8 . HD1 . . . . . 8 . HE2 . . c17669_2ldj 1 276 1 . . 1 1 9 9 ASP HB3 H . . . 1 1 9 9 ASP HA H . . . . . 0.482 0.000 6.000 . . . . . A . 9 ASP HB3 . . A . 9 ASP HA . . . 9 . HB2 . . . . . 9 . HA . . c17669_2ldj 1 277 1 . . 1 1 5 5 GLN HA H . . . 1 1 8 8 LYS HG3 H . . . . . 0.587 0.000 6.000 . . . . . A . 5 GLN HA . . A . 8 LYS HG3 . . . 5 . HA . . . . . 8 . HG2 . . c17669_2ldj 1 278 1 OR . 1 1 8 8 LYS HG3 H . . . 1 1 8 8 LYS HE2 H . . . . . 0.656 0.000 6.000 . . . . . A . 8 LYS HG3 . . A . 8 LYS HE2 . . . 8 . HG2 . . . . . 8 . HE1 . . c17669_2ldj 1 278 2 OR . 1 1 8 8 LYS HG3 H . . . 1 1 8 8 LYS HE3 H . . . . . 0.656 0.000 6.000 . . . . . A . 8 LYS HG3 . . A . 8 LYS HE3 . . . 8 . HG2 . . . . . 8 . HE2 . . c17669_2ldj 1 279 1 OR . 1 1 8 8 LYS HG2 H . . . 1 1 8 8 LYS HD2 H . . . . . 7.386 0.000 6.000 . . . . . A . 8 LYS HG2 . . A . 8 LYS HD2 . . . 8 . HG1 . . . . . 8 . HD1 . . c17669_2ldj 1 279 2 OR . 1 1 8 8 LYS HG2 H . . . 1 1 8 8 LYS HD3 H . . . . . 7.386 0.000 6.000 . . . . . A . 8 LYS HG2 . . A . 8 LYS HD3 . . . 8 . HG1 . . . . . 8 . HD2 . . c17669_2ldj 1 280 1 . . 1 1 8 8 LYS HG2 H . . . 1 1 5 5 GLN HA H . . . . . 0.578 0.000 6.000 . . . . . A . 8 LYS HG2 . . A . 5 GLN HA . . . 8 . HG1 . . . . . 5 . HA . . c17669_2ldj 1 281 1 . . 1 1 8 8 LYS HG2 H . . . 1 1 8 8 LYS HG3 H . . . . . 7.450 0.512 14.388 . . . . . A . 8 LYS HG2 . . A . 8 LYS HG3 . . . 8 . HG1 . . . . . 8 . HG2 . . c17669_2ldj 1 282 1 . . 1 1 9 9 ASP H H . . . 1 1 9 9 ASP HA H . . . . . 0.581 0.000 6.000 . . . . . A . 9 ASP H . . A . 9 ASP HA . . . 9 . HN . . . . . 9 . HA . . c17669_2ldj 1 283 1 . . 1 1 9 9 ASP HA H . . . 1 1 10 10 Dgn H H . . . . . 0.647 0.000 6.000 . . . . . A . 9 ASP HA . . A . 10 DGN H . . . 9 . HA . . . . . 10 . HN . . c17669_2ldj 1 284 1 . . 1 1 9 9 ASP H H . . . 1 1 9 9 ASP HB3 H . . . . . 0.591 0.000 6.000 . . . . . A . 9 ASP H . . A . 9 ASP HB3 . . . 9 . HN . . . . . 9 . HB2 . . c17669_2ldj 1 285 1 . . 1 1 11 11 GLY H H . . . 1 1 9 9 ASP HB3 H . . . . . 5.582 0.000 6.000 . . . . . A . 11 GLY H . . A . 9 ASP HB3 . . . 11 . HN . . . . . 9 . HB2 . . c17669_2ldj 1 286 1 . . 1 1 9 9 ASP HB3 H . . . 1 1 14 14 SER HB3 H . . . . . 0.586 0.000 6.000 . . . . . A . 9 ASP HB3 . . A . 14 SER HB3 . . . 9 . HB2 . . . . . 14 . HB2 . . c17669_2ldj 1 287 1 . . 1 1 6 6 TRP HA H . . . 1 1 9 9 ASP HB2 H . . . . . 0.532 0.000 6.000 . . . . . A . 6 TRP HA . . A . 9 ASP HB2 . . . 6 . HA . . . . . 9 . HB1 . . c17669_2ldj 1 288 1 . . 1 1 9 9 ASP HB2 H . . . 1 1 9 9 ASP HA H . . . . . 0.566 0.000 6.000 . . . . . A . 9 ASP HB2 . . A . 9 ASP HA . . . 9 . HB1 . . . . . 9 . HA . . c17669_2ldj 1 289 1 . . 1 1 9 9 ASP HB3 H . . . 1 1 9 9 ASP HB2 H . . . . . 0.374 0.000 6.000 . . . . . A . 9 ASP HB3 . . A . 9 ASP HB2 . . . 9 . HB2 . . . . . 9 . HB1 . . c17669_2ldj 1 290 1 . . 1 1 9 9 ASP H H . . . 1 1 9 9 ASP HB2 H . . . . . 0.506 0.000 6.000 . . . . . A . 9 ASP H . . A . 9 ASP HB2 . . . 9 . HN . . . . . 9 . HB1 . . c17669_2ldj 1 291 1 . . 1 1 11 11 GLY H H . . . 1 1 9 9 ASP HB2 H . . . . . 5.582 1.687 9.477 . . . . . A . 11 GLY H . . A . 9 ASP HB2 . . . 11 . HN . . . . . 9 . HB1 . . c17669_2ldj 1 292 1 . . 1 1 9 9 ASP HB2 H . . . 1 1 14 14 SER HB3 H . . . . . 0.446 0.000 6.000 . . . . . A . 9 ASP HB2 . . A . 14 SER HB3 . . . 9 . HB1 . . . . . 14 . HB2 . . c17669_2ldj 1 293 1 . . 1 1 8 8 LYS H H . . . 1 1 9 9 ASP H H . . . . . 0.569 0.000 6.000 . . . . . A . 8 LYS H . . A . 9 ASP H . . . 8 . HN . . . . . 9 . HN . . c17669_2ldj 1 294 1 . . 1 1 9 9 ASP H H . . . 1 1 11 11 GLY H H . . . . . 0.772 0.000 6.000 . . . . . A . 9 ASP H . . A . 11 GLY H . . . 9 . HN . . . . . 11 . HN . . c17669_2ldj 1 295 1 . . 1 1 10 10 Dgn HE22 H . . . 1 1 10 10 Dgn HE21 H . . . . . 0.433 0.000 6.000 . . . . . A . 10 DGN HE22 . . A . 10 DGN HE21 . . . 10 . HE22 . . . . . 10 . HE21 . . c17669_2ldj 1 296 1 . . 1 1 10 10 Dgn HE22 H . . . 1 1 10 10 Dgn HG3 H . . . . . 0.801 0.000 6.000 . . . . . A . 10 DGN HE22 . . A . 10 DGN HG3 . . . 10 . HE22 . . . . . 10 . HG1 . . c17669_2ldj 1 297 1 . . 1 1 10 10 Dgn HA H . . . 1 1 10 10 Dgn H H . . . . . 0.569 0.000 6.000 . . . . . A . 10 DGN HA . . A . 10 DGN H . . . 10 . HA . . . . . 10 . HN . . c17669_2ldj 1 298 1 . . 1 1 11 11 GLY H H . . . 1 1 10 10 Dgn HA H . . . . . 0.648 0.000 6.000 . . . . . A . 11 GLY H . . A . 10 DGN HA . . . 11 . HN . . . . . 10 . HA . . c17669_2ldj 1 299 1 . . 1 1 4 4 ILE H H . . . 1 1 2 2 LEU HA H . . . . . 0.678 0.000 6.000 . . . . . A . 4 ILE H . . A . 2 LEU HA . . . 4 . HN . . . . . 2 . HA . . c17669_2ldj 1 300 1 . . 1 1 10 10 Dgn HB2 H . . . 1 1 10 10 Dgn HA H . . . . . 0.387 0.000 6.000 . . . . . A . 10 DGN HB2 . . A . 10 DGN HA . . . 10 . HB2 . . . . . 10 . HA . . c17669_2ldj 1 301 1 . . 1 1 10 10 Dgn HG2 H . . . 1 1 11 11 GLY H H . . . . . 0.730 0.000 6.000 . . . . . A . 10 DGN HG2 . . A . 11 GLY H . . . 10 . HG2 . . . . . 11 . HN . . c17669_2ldj 1 302 1 . . 1 1 10 10 Dgn HB3 H . . . 1 1 10 10 Dgn HA H . . . . . 0.542 0.000 6.000 . . . . . A . 10 DGN HB3 . . A . 10 DGN HA . . . 10 . HB1 . . . . . 10 . HA . . c17669_2ldj 1 303 1 . . 1 1 10 10 Dgn HB2 H . . . 1 1 10 10 Dgn HB3 H . . . . . 0.376 0.000 6.000 . . . . . A . 10 DGN HB2 . . A . 10 DGN HB3 . . . 10 . HB2 . . . . . 10 . HB1 . . c17669_2ldj 1 304 1 OR . 1 1 12 12 PRO HG3 H . . . 1 1 18 18 PRO HG2 H . . . . . 0.521 0.000 6.000 . . . . . A . 12 PRO HG3 . . A . 18 PRO HG2 . . . 12 . HG2 . . . . . 18 . HG1 . . c17669_2ldj 1 304 2 OR . 1 1 12 12 PRO HG3 H . . . 1 1 18 18 PRO HG3 H . . . . . 0.521 0.000 6.000 . . . . . A . 12 PRO HG3 . . A . 18 PRO HG3 . . . 12 . HG2 . . . . . 18 . HG2 . . c17669_2ldj 1 305 1 . . 1 1 10 10 Dgn HB3 H . . . 1 1 10 10 Dgn H H . . . . . 0.533 0.000 6.000 . . . . . A . 10 DGN HB3 . . A . 10 DGN H . . . 10 . HB1 . . . . . 10 . HN . . c17669_2ldj 1 306 1 . . 1 1 11 11 GLY H H . . . 1 1 10 10 Dgn HB3 H . . . . . 0.697 0.000 6.000 . . . . . A . 11 GLY H . . A . 10 DGN HB3 . . . 11 . HN . . . . . 10 . HB1 . . c17669_2ldj 1 307 1 . . 1 1 10 10 Dgn HB2 H . . . 1 1 10 10 Dgn HE21 H . . . . . 0.735 0.000 6.000 . . . . . A . 10 DGN HB2 . . A . 10 DGN HE21 . . . 10 . HB2 . . . . . 10 . HE21 . . c17669_2ldj 1 308 1 . . 1 1 10 10 Dgn HG2 H . . . 1 1 10 10 Dgn H H . . . . . 0.407 0.000 6.000 . . . . . A . 10 DGN HG2 . . A . 10 DGN H . . . 10 . HG2 . . . . . 10 . HN . . c17669_2ldj 1 309 1 . . 1 1 10 10 Dgn HG3 H . . . 1 1 10 10 Dgn HE21 H . . . . . 0.630 0.000 6.000 . . . . . A . 10 DGN HG3 . . A . 10 DGN HE21 . . . 10 . HG1 . . . . . 10 . HE21 . . c17669_2ldj 1 310 1 . . 1 1 10 10 Dgn HG3 H . . . 1 1 10 10 Dgn HA H . . . . . 0.560 0.000 6.000 . . . . . A . 10 DGN HG3 . . A . 10 DGN HA . . . 10 . HG1 . . . . . 10 . HA . . c17669_2ldj 1 311 1 . . 1 1 10 10 Dgn HG2 H . . . 1 1 10 10 Dgn HG3 H . . . . . 6.986 0.885 13.087 . . . . . A . 10 DGN HG2 . . A . 10 DGN HG3 . . . 10 . HG2 . . . . . 10 . HG1 . . c17669_2ldj 1 312 1 . . 1 1 10 10 Dgn HG3 H . . . 1 1 10 10 Dgn H H . . . . . 0.617 0.000 6.000 . . . . . A . 10 DGN HG3 . . A . 10 DGN H . . . 10 . HG1 . . . . . 10 . HN . . c17669_2ldj 1 313 1 . . 1 1 9 9 ASP H H . . . 1 1 10 10 Dgn H H . . . . . 0.566 0.000 6.000 . . . . . A . 9 ASP H . . A . 10 DGN H . . . 9 . HN . . . . . 10 . HN . . c17669_2ldj 1 314 1 . . 1 1 11 11 GLY H H . . . 1 1 10 10 Dgn H H . . . . . 0.501 0.000 6.000 . . . . . A . 11 GLY H . . A . 10 DGN H . . . 11 . HN . . . . . 10 . HN . . c17669_2ldj 1 315 1 . . 1 1 7 7 LEU HA H . . . 1 1 11 11 GLY HA3 H . . . . . 0.577 0.000 6.000 . . . . . A . 7 LEU HA . . A . 11 GLY HA3 . . . 7 . HA . . . . . 11 . HA2 . . c17669_2ldj 1 316 1 . . 1 1 11 11 GLY HA3 H . . . 1 1 11 11 GLY HA2 H . . . . . 0.401 0.000 6.000 . . . . . A . 11 GLY HA3 . . A . 11 GLY HA2 . . . 11 . HA2 . . . . . 11 . HA1 . . c17669_2ldj 1 317 1 . . 1 1 11 11 GLY H H . . . 1 1 11 11 GLY HA3 H . . . . . 0.514 0.000 6.000 . . . . . A . 11 GLY H . . A . 11 GLY HA3 . . . 11 . HN . . . . . 11 . HA2 . . c17669_2ldj 1 318 1 . . 1 1 12 12 PRO HD2 H . . . 1 1 11 11 GLY HA3 H . . . . . 0.600 0.000 6.000 . . . . . A . 12 PRO HD2 . . A . 11 GLY HA3 . . . 12 . HD1 . . . . . 11 . HA2 . . c17669_2ldj 1 319 1 . . 1 1 6 6 TRP HB3 H . . . 1 1 7 7 LEU HA H . . . . . 6.529 1.201 11.857 . . . . . A . 6 TRP HB3 . . A . 7 LEU HA . . . 6 . HB2 . . . . . 7 . HA . . c17669_2ldj 1 320 1 . . 1 1 6 6 TRP HH2 H . . . 1 1 12 12 PRO HA H . . . . . 0.687 0.000 6.000 . . . . . A . 6 TRP HH2 . . A . 12 PRO HA . . . 6 . HH2 . . . . . 12 . HA . . c17669_2ldj 1 321 1 . . 1 1 6 6 TRP HZ2 H . . . 1 1 12 12 PRO HA H . . . . . 0.554 0.000 6.000 . . . . . A . 6 TRP HZ2 . . A . 12 PRO HA . . . 6 . HZ2 . . . . . 12 . HA . . c17669_2ldj 1 322 1 . . 1 1 13 13 SER H H . . . 1 1 12 12 PRO HA H . . . . . 0.659 0.000 6.000 . . . . . A . 13 SER H . . A . 12 PRO HA . . . 13 . HN . . . . . 12 . HA . . c17669_2ldj 1 323 1 . . 1 1 12 12 PRO HG3 H . . . 1 1 12 12 PRO HA H . . . . . 0.597 0.000 6.000 . . . . . A . 12 PRO HG3 . . A . 12 PRO HA . . . 12 . HG2 . . . . . 12 . HA . . c17669_2ldj 1 324 1 . . 1 1 12 12 PRO HD3 H . . . 1 1 12 12 PRO HG3 H . . . . . 0.629 0.000 6.000 . . . . . A . 12 PRO HD3 . . A . 12 PRO HG3 . . . 12 . HD2 . . . . . 12 . HG2 . . c17669_2ldj 1 325 1 . . 1 1 13 13 SER H H . . . 1 1 12 12 PRO HB3 H . . . . . 0.647 0.000 6.000 . . . . . A . 13 SER H . . A . 12 PRO HB3 . . . 13 . HN . . . . . 12 . HB2 . . c17669_2ldj 1 326 1 . . 1 1 6 6 TRP HZ2 H . . . 1 1 12 12 PRO HB2 H . . . . . 0.662 0.000 6.000 . . . . . A . 6 TRP HZ2 . . A . 12 PRO HB2 . . . 6 . HZ2 . . . . . 12 . HB1 . . c17669_2ldj 1 327 1 . . 1 1 12 12 PRO HA H . . . 1 1 12 12 PRO HB2 H . . . . . 0.494 0.000 6.000 . . . . . A . 12 PRO HA . . A . 12 PRO HB2 . . . 12 . HA . . . . . 12 . HB1 . . c17669_2ldj 1 328 1 . . 1 1 13 13 SER H H . . . 1 1 12 12 PRO HB2 H . . . . . 0.748 0.000 6.000 . . . . . A . 13 SER H . . A . 12 PRO HB2 . . . 13 . HN . . . . . 12 . HB1 . . c17669_2ldj 1 329 1 . . 1 1 12 12 PRO HD3 H . . . 1 1 13 13 SER H H . . . . . 0.624 0.000 6.000 . . . . . A . 12 PRO HD3 . . A . 13 SER H . . . 12 . HD2 . . . . . 13 . HN . . c17669_2ldj 1 330 1 . . 1 1 12 12 PRO HD3 H . . . 1 1 12 12 PRO HD2 H . . . . . 6.388 1.287 11.489 . . . . . A . 12 PRO HD3 . . A . 12 PRO HD2 . . . 12 . HD2 . . . . . 12 . HD1 . . c17669_2ldj 1 331 1 . . 1 1 13 13 SER H H . . . 1 1 12 12 PRO HG2 H . . . . . 0.684 0.000 6.000 . . . . . A . 13 SER H . . A . 12 PRO HG2 . . . 13 . HN . . . . . 12 . HG1 . . c17669_2ldj 1 332 1 . . 1 1 12 12 PRO HB2 H . . . 1 1 12 12 PRO HG2 H . . . . . 0.511 0.000 6.000 . . . . . A . 12 PRO HB2 . . A . 12 PRO HG2 . . . 12 . HB1 . . . . . 12 . HG1 . . c17669_2ldj 1 333 1 . . 1 1 6 6 TRP HH2 H . . . 1 1 12 12 PRO HG3 H . . . . . 0.584 0.000 6.000 . . . . . A . 6 TRP HH2 . . A . 12 PRO HG3 . . . 6 . HH2 . . . . . 12 . HG2 . . c17669_2ldj 1 334 1 . . 1 1 6 6 TRP HZ2 H . . . 1 1 12 12 PRO HG3 H . . . . . 0.663 0.000 6.000 . . . . . A . 6 TRP HZ2 . . A . 12 PRO HG3 . . . 6 . HZ2 . . . . . 12 . HG2 . . c17669_2ldj 1 335 1 OR . 1 1 18 18 PRO HD2 H . . . 1 1 12 12 PRO HG3 H . . . . . 0.492 0.000 6.000 . . . . . A . 18 PRO HD2 . . A . 12 PRO HG3 . . . 18 . HD1 . . . . . 12 . HG2 . . c17669_2ldj 1 335 2 OR . 1 1 18 18 PRO HD3 H . . . 1 1 12 12 PRO HG3 H . . . . . 0.492 0.000 6.000 . . . . . A . 18 PRO HD3 . . A . 12 PRO HG3 . . . 18 . HD2 . . . . . 12 . HG2 . . c17669_2ldj 1 336 1 . . 1 1 13 13 SER H H . . . 1 1 13 13 SER HA H . . . . . 0.593 0.000 6.000 . . . . . A . 13 SER H . . A . 13 SER HA . . . 13 . HN . . . . . 13 . HA . . c17669_2ldj 1 337 1 . . 1 1 14 14 SER H H . . . 1 1 13 13 SER HA H . . . . . 0.656 0.000 6.000 . . . . . A . 14 SER H . . A . 13 SER HA . . . 14 . HN . . . . . 13 . HA . . c17669_2ldj 1 338 1 . . 1 1 13 13 SER HA H . . . 1 1 15 15 GLY H H . . . . . 0.723 0.000 6.000 . . . . . A . 13 SER HA . . A . 15 GLY H . . . 13 . HA . . . . . 15 . HN . . c17669_2ldj 1 339 1 . . 1 1 13 13 SER HA H . . . 1 1 13 13 SER HB3 H . . . . . 0.602 0.000 6.000 . . . . . A . 13 SER HA . . A . 13 SER HB3 . . . 13 . HA . . . . . 13 . HB2 . . c17669_2ldj 1 340 1 . . 1 1 13 13 SER H H . . . 1 1 13 13 SER HB3 H . . . . . 0.580 0.000 6.000 . . . . . A . 13 SER H . . A . 13 SER HB3 . . . 13 . HN . . . . . 13 . HB2 . . c17669_2ldj 1 341 1 . . 1 1 14 14 SER H H . . . 1 1 13 13 SER HB3 H . . . . . 0.679 0.000 6.000 . . . . . A . 14 SER H . . A . 13 SER HB3 . . . 14 . HN . . . . . 13 . HB2 . . c17669_2ldj 1 342 1 . . 1 1 13 13 SER HA H . . . 1 1 13 13 SER HB2 H . . . . . 0.488 0.000 6.000 . . . . . A . 13 SER HA . . A . 13 SER HB2 . . . 13 . HA . . . . . 13 . HB1 . . c17669_2ldj 1 343 1 . . 1 1 13 13 SER H H . . . 1 1 13 13 SER HB2 H . . . . . 0.607 0.000 6.000 . . . . . A . 13 SER H . . A . 13 SER HB2 . . . 13 . HN . . . . . 13 . HB1 . . c17669_2ldj 1 344 1 . . 1 1 14 14 SER H H . . . 1 1 13 13 SER HB2 H . . . . . 0.820 0.000 6.000 . . . . . A . 14 SER H . . A . 13 SER HB2 . . . 14 . HN . . . . . 13 . HB1 . . c17669_2ldj 1 345 1 . . 1 1 14 14 SER H H . . . 1 1 13 13 SER H H . . . . . 0.554 0.000 6.000 . . . . . A . 14 SER H . . A . 13 SER H . . . 14 . HN . . . . . 13 . HN . . c17669_2ldj 1 346 1 . . 1 1 14 14 SER HA H . . . 1 1 13 13 SER HA H . . . . . 0.455 0.000 6.000 . . . . . A . 14 SER HA . . A . 13 SER HA . . . 14 . HA . . . . . 13 . HA . . c17669_2ldj 1 347 1 . . 1 1 14 14 SER HA H . . . 1 1 15 15 GLY H H . . . . . 0.670 0.000 6.000 . . . . . A . 14 SER HA . . A . 15 GLY H . . . 14 . HA . . . . . 15 . HN . . c17669_2ldj 1 348 1 . . 1 1 14 14 SER HB3 H . . . 1 1 10 10 Dgn HA H . . . . . 0.593 0.000 6.000 . . . . . A . 14 SER HB3 . . A . 10 DGN HA . . . 14 . HB2 . . . . . 10 . HA . . c17669_2ldj 1 349 1 . . 1 1 11 11 GLY H H . . . 1 1 14 14 SER HB3 H . . . . . 0.699 0.000 6.000 . . . . . A . 11 GLY H . . A . 14 SER HB3 . . . 11 . HN . . . . . 14 . HB2 . . c17669_2ldj 1 350 1 . . 1 1 14 14 SER HA H . . . 1 1 14 14 SER HB3 H . . . . . 0.511 0.000 6.000 . . . . . A . 14 SER HA . . A . 14 SER HB3 . . . 14 . HA . . . . . 14 . HB2 . . c17669_2ldj 1 351 1 . . 1 1 14 14 SER H H . . . 1 1 14 14 SER HB3 H . . . . . 0.564 0.000 6.000 . . . . . A . 14 SER H . . A . 14 SER HB3 . . . 14 . HN . . . . . 14 . HB2 . . c17669_2ldj 1 352 1 . . 1 1 11 11 GLY H H . . . 1 1 14 14 SER HB2 H . . . . . 0.732 0.000 6.000 . . . . . A . 11 GLY H . . A . 14 SER HB2 . . . 11 . HN . . . . . 14 . HB1 . . c17669_2ldj 1 353 1 . . 1 1 14 14 SER HA H . . . 1 1 14 14 SER HB2 H . . . . . 0.489 0.000 6.000 . . . . . A . 14 SER HA . . A . 14 SER HB2 . . . 14 . HA . . . . . 14 . HB1 . . c17669_2ldj 1 354 1 OR . 1 1 12 12 PRO HD3 H . . . 1 1 15 15 GLY HA2 H . . . . . 0.371 0.000 6.000 . . . . . A . 12 PRO HD3 . . A . 15 GLY HA2 . . . 12 . HD2 . . . . . 15 . HA1 . . c17669_2ldj 1 354 2 OR . 1 1 12 12 PRO HD3 H . . . 1 1 15 15 GLY HA3 H . . . . . 0.371 0.000 6.000 . . . . . A . 12 PRO HD3 . . A . 15 GLY HA3 . . . 12 . HD2 . . . . . 15 . HA2 . . c17669_2ldj 1 355 1 . . 1 1 12 12 PRO HD3 H . . . 1 1 15 15 GLY H H . . . . . 0.486 0.000 6.000 . . . . . A . 12 PRO HD3 . . A . 15 GLY H . . . 12 . HD2 . . . . . 15 . HN . . c17669_2ldj 1 356 1 . . 1 1 12 12 PRO HD3 H . . . 1 1 16 16 ARG H H . . . . . 0.614 0.000 6.000 . . . . . A . 12 PRO HD3 . . A . 16 ARG H . . . 12 . HD2 . . . . . 16 . HN . . c17669_2ldj 1 357 1 OR . 1 1 15 15 GLY HA2 H . . . 1 1 15 15 GLY H H . . . . . 0.562 0.000 6.000 . . . . . A . 15 GLY HA2 . . A . 15 GLY H . . . 15 . HA1 . . . . . 15 . HN . . c17669_2ldj 1 357 2 OR . 1 1 15 15 GLY HA3 H . . . 1 1 15 15 GLY H H . . . . . 0.562 0.000 6.000 . . . . . A . 15 GLY HA3 . . A . 15 GLY H . . . 15 . HA2 . . . . . 15 . HN . . c17669_2ldj 1 358 1 . . 1 1 14 14 SER H H . . . 1 1 15 15 GLY H H . . . . . 0.578 0.000 6.000 . . . . . A . 14 SER H . . A . 15 GLY H . . . 14 . HN . . . . . 15 . HN . . c17669_2ldj 1 359 1 . . 1 1 16 16 ARG H H . . . 1 1 15 15 GLY H H . . . . . 0.558 0.000 6.000 . . . . . A . 16 ARG H . . A . 15 GLY H . . . 16 . HN . . . . . 15 . HN . . c17669_2ldj 1 360 1 . . 1 1 19 19 PRO HG2 H . . . 1 1 17 17 PRO HD3 H . . . . . 0.529 0.000 6.000 . . . . . A . 19 PRO HG2 . . A . 17 PRO HD3 . . . 19 . HG1 . . . . . 17 . HD2 . . c17669_2ldj 1 361 1 . . 1 1 19 19 PRO HG2 H . . . 1 1 17 17 PRO HD2 H . . . . . 1.222 0.000 6.000 . . . . . A . 19 PRO HG2 . . A . 17 PRO HD2 . . . 19 . HG1 . . . . . 17 . HD1 . . c17669_2ldj 1 362 1 OR . 1 1 6 6 TRP HD1 H . . . 1 1 16 16 ARG HB2 H . . . . . 0.562 0.000 6.000 . . . . . A . 6 TRP HD1 . . A . 16 ARG HB2 . . . 6 . HD1 . . . . . 16 . HB1 . . c17669_2ldj 1 362 2 OR . 1 1 6 6 TRP HD1 H . . . 1 1 16 16 ARG HB3 H . . . . . 0.562 0.000 6.000 . . . . . A . 6 TRP HD1 . . A . 16 ARG HB3 . . . 6 . HD1 . . . . . 16 . HB2 . . c17669_2ldj 1 363 1 OR . 1 1 6 6 TRP HE1 H . . . 1 1 18 18 PRO HG2 H . . . . . 0.660 0.000 6.000 . . . . . A . 6 TRP HE1 . . A . 18 PRO HG2 . . . 6 . HE1 . . . . . 18 . HG1 . . c17669_2ldj 1 363 2 OR . 1 1 6 6 TRP HE1 H . . . 1 1 18 18 PRO HG3 H . . . . . 0.660 0.000 6.000 . . . . . A . 6 TRP HE1 . . A . 18 PRO HG3 . . . 6 . HE1 . . . . . 18 . HG2 . . c17669_2ldj 1 364 1 OR . 1 1 16 16 ARG HD2 H . . . 1 1 16 16 ARG HB2 H . . . . . 0.555 0.000 6.000 . . . . . A . 16 ARG HD2 . . A . 16 ARG HB2 . . . 16 . HD1 . . . . . 16 . HB1 . . c17669_2ldj 1 364 2 OR . 1 1 16 16 ARG HD3 H . . . 1 1 16 16 ARG HB2 H . . . . . 0.555 0.000 6.000 . . . . . A . 16 ARG HD3 . . A . 16 ARG HB2 . . . 16 . HD2 . . . . . 16 . HB1 . . c17669_2ldj 1 364 3 OR . 1 1 16 16 ARG HD2 H . . . 1 1 16 16 ARG HB3 H . . . . . 0.555 0.000 6.000 . . . . . A . 16 ARG HD2 . . A . 16 ARG HB3 . . . 16 . HD1 . . . . . 16 . HB2 . . c17669_2ldj 1 364 4 OR . 1 1 16 16 ARG HD3 H . . . 1 1 16 16 ARG HB3 H . . . . . 0.555 0.000 6.000 . . . . . A . 16 ARG HD3 . . A . 16 ARG HB3 . . . 16 . HD2 . . . . . 16 . HB2 . . c17669_2ldj 1 365 1 OR . 1 1 16 16 ARG H H . . . 1 1 16 16 ARG HB2 H . . . . . 0.611 0.000 6.000 . . . . . A . 16 ARG H . . A . 16 ARG HB2 . . . 16 . HN . . . . . 16 . HB1 . . c17669_2ldj 1 365 2 OR . 1 1 16 16 ARG H H . . . 1 1 16 16 ARG HB3 H . . . . . 0.611 0.000 6.000 . . . . . A . 16 ARG H . . A . 16 ARG HB3 . . . 16 . HN . . . . . 16 . HB2 . . c17669_2ldj 1 366 1 OR . 1 1 18 18 PRO HG2 H . . . 1 1 17 17 PRO HD3 H . . . . . 0.649 0.000 6.000 . . . . . A . 18 PRO HG2 . . A . 17 PRO HD3 . . . 18 . HG1 . . . . . 17 . HD2 . . c17669_2ldj 1 366 2 OR . 1 1 18 18 PRO HG3 H . . . 1 1 17 17 PRO HD3 H . . . . . 0.649 0.000 6.000 . . . . . A . 18 PRO HG3 . . A . 17 PRO HD3 . . . 18 . HG2 . . . . . 17 . HD2 . . c17669_2ldj 1 367 1 OR . 1 1 1 1 ASN HB2 H . . . 1 1 16 16 ARG HD2 H . . . . . 6.547 1.189 11.905 . . . . . A . 1 ASN HB2 . . A . 16 ARG HD2 . . . 1 . HB1 . . . . . 16 . HD1 . . c17669_2ldj 1 367 2 OR . 1 1 1 1 ASN HB2 H . . . 1 1 16 16 ARG HD3 H . . . . . 6.547 1.189 11.905 . . . . . A . 1 ASN HB2 . . A . 16 ARG HD3 . . . 1 . HB1 . . . . . 16 . HD2 . . c17669_2ldj 1 368 1 OR . 1 1 16 16 ARG HD2 H . . . 1 1 6 6 TRP HD1 H . . . . . 0.687 0.000 6.000 . . . . . A . 16 ARG HD2 . . A . 6 TRP HD1 . . . 16 . HD1 . . . . . 6 . HD1 . . c17669_2ldj 1 368 2 OR . 1 1 16 16 ARG HD3 H . . . 1 1 6 6 TRP HD1 H . . . . . 0.687 0.000 6.000 . . . . . A . 16 ARG HD3 . . A . 6 TRP HD1 . . . 16 . HD2 . . . . . 6 . HD1 . . c17669_2ldj 1 369 1 OR . 1 1 16 16 ARG HD2 H . . . 1 1 16 16 ARG HE H . . . . . 0.573 0.000 6.000 . . . . . A . 16 ARG HD2 . . A . 16 ARG HE . . . 16 . HD1 . . . . . 16 . HE . . c17669_2ldj 1 369 2 OR . 1 1 16 16 ARG HD3 H . . . 1 1 16 16 ARG HE H . . . . . 0.573 0.000 6.000 . . . . . A . 16 ARG HD3 . . A . 16 ARG HE . . . 16 . HD2 . . . . . 16 . HE . . c17669_2ldj 1 370 1 OR . 1 1 6 6 TRP HD1 H . . . 1 1 16 16 ARG HG2 H . . . . . 0.613 0.000 6.000 . . . . . A . 6 TRP HD1 . . A . 16 ARG HG2 . . . 6 . HD1 . . . . . 16 . HG1 . . c17669_2ldj 1 370 2 OR . 1 1 6 6 TRP HD1 H . . . 1 1 16 16 ARG HG3 H . . . . . 0.613 0.000 6.000 . . . . . A . 6 TRP HD1 . . A . 16 ARG HG3 . . . 6 . HD1 . . . . . 16 . HG2 . . c17669_2ldj 1 371 1 OR . 1 1 6 6 TRP HE1 H . . . 1 1 16 16 ARG HG2 H . . . . . 0.658 0.000 6.000 . . . . . A . 6 TRP HE1 . . A . 16 ARG HG2 . . . 6 . HE1 . . . . . 16 . HG1 . . c17669_2ldj 1 371 2 OR . 1 1 6 6 TRP HE1 H . . . 1 1 16 16 ARG HG3 H . . . . . 0.658 0.000 6.000 . . . . . A . 6 TRP HE1 . . A . 16 ARG HG3 . . . 6 . HE1 . . . . . 16 . HG2 . . c17669_2ldj 1 372 1 OR . 1 1 16 16 ARG HD2 H . . . 1 1 19 19 PRO HG2 H . . . . . 0.508 0.000 6.000 . . . . . A . 16 ARG HD2 . . A . 19 PRO HG2 . . . 16 . HD1 . . . . . 19 . HG1 . . c17669_2ldj 1 372 2 OR . 1 1 16 16 ARG HD3 H . . . 1 1 19 19 PRO HG2 H . . . . . 0.508 0.000 6.000 . . . . . A . 16 ARG HD3 . . A . 19 PRO HG2 . . . 16 . HD2 . . . . . 19 . HG1 . . c17669_2ldj 1 373 1 OR . 1 1 16 16 ARG H H . . . 1 1 16 16 ARG HG2 H . . . . . 0.554 0.000 6.000 . . . . . A . 16 ARG H . . A . 16 ARG HG2 . . . 16 . HN . . . . . 16 . HG1 . . c17669_2ldj 1 373 2 OR . 1 1 16 16 ARG H H . . . 1 1 16 16 ARG HG3 H . . . . . 0.554 0.000 6.000 . . . . . A . 16 ARG H . . A . 16 ARG HG3 . . . 16 . HN . . . . . 16 . HG2 . . c17669_2ldj 1 374 1 OR . 1 1 16 16 ARG HD2 H . . . 1 1 19 19 PRO HG3 H . . . . . 0.615 0.000 6.000 . . . . . A . 16 ARG HD2 . . A . 19 PRO HG3 . . . 16 . HD1 . . . . . 19 . HG2 . . c17669_2ldj 1 374 2 OR . 1 1 16 16 ARG HD3 H . . . 1 1 19 19 PRO HG3 H . . . . . 0.615 0.000 6.000 . . . . . A . 16 ARG HD3 . . A . 19 PRO HG3 . . . 16 . HD2 . . . . . 19 . HG2 . . c17669_2ldj 1 375 1 . . 1 1 6 6 TRP HE1 H . . . 1 1 16 16 ARG H H . . . . . 0.751 0.000 6.000 . . . . . A . 6 TRP HE1 . . A . 16 ARG H . . . 6 . HE1 . . . . . 16 . HN . . c17669_2ldj 1 376 1 . . 1 1 6 6 TRP HE1 H . . . 1 1 17 17 PRO HA H . . . . . 0.817 0.000 6.000 . . . . . A . 6 TRP HE1 . . A . 17 PRO HA . . . 6 . HE1 . . . . . 17 . HA . . c17669_2ldj 1 377 1 . . 1 1 6 6 TRP HZ2 H . . . 1 1 17 17 PRO HA H . . . . . 0.704 0.000 6.000 . . . . . A . 6 TRP HZ2 . . A . 17 PRO HA . . . 6 . HZ2 . . . . . 17 . HA . . c17669_2ldj 1 378 1 . . 1 1 17 17 PRO HA H . . . 1 1 17 17 PRO HB2 H . . . . . 0.525 0.000 6.000 . . . . . A . 17 PRO HA . . A . 17 PRO HB2 . . . 17 . HA . . . . . 17 . HB1 . . c17669_2ldj 1 379 1 OR . 1 1 18 18 PRO HD2 H . . . 1 1 17 17 PRO HA H . . . . . 0.473 0.445 0.501 . . . . . A . 18 PRO HD2 . . A . 17 PRO HA . . . 18 . HD1 . . . . . 17 . HA . . c17669_2ldj 1 379 2 OR . 1 1 18 18 PRO HD3 H . . . 1 1 17 17 PRO HA H . . . . . 0.473 0.445 0.501 . . . . . A . 18 PRO HD3 . . A . 17 PRO HA . . . 18 . HD2 . . . . . 17 . HA . . c17669_2ldj 1 380 1 . . 1 1 17 17 PRO HB3 H . . . 1 1 17 17 PRO HB2 H . . . . . 0.406 0.000 6.000 . . . . . A . 17 PRO HB3 . . A . 17 PRO HB2 . . . 17 . HB2 . . . . . 17 . HB1 . . c17669_2ldj 1 381 1 OR . 1 1 16 16 ARG HG2 H . . . 1 1 17 17 PRO HD3 H . . . . . 0.501 0.000 6.000 . . . . . A . 16 ARG HG2 . . A . 17 PRO HD3 . . . 16 . HG1 . . . . . 17 . HD2 . . c17669_2ldj 1 381 2 OR . 1 1 16 16 ARG HG3 H . . . 1 1 17 17 PRO HD3 H . . . . . 0.501 0.000 6.000 . . . . . A . 16 ARG HG3 . . A . 17 PRO HD3 . . . 16 . HG2 . . . . . 17 . HD2 . . c17669_2ldj 1 382 1 OR . 1 1 17 17 PRO HD2 H . . . 1 1 16 16 ARG HG2 H . . . . . 0.764 0.000 6.000 . . . . . A . 17 PRO HD2 . . A . 16 ARG HG2 . . . 17 . HD1 . . . . . 16 . HG1 . . c17669_2ldj 1 382 2 OR . 1 1 17 17 PRO HD2 H . . . 1 1 16 16 ARG HG3 H . . . . . 0.764 0.000 6.000 . . . . . A . 17 PRO HD2 . . A . 16 ARG HG3 . . . 17 . HD1 . . . . . 16 . HG2 . . c17669_2ldj 1 383 1 . . 1 1 17 17 PRO HD2 H . . . 1 1 17 17 PRO HB2 H . . . . . 0.668 0.000 6.000 . . . . . A . 17 PRO HD2 . . A . 17 PRO HB2 . . . 17 . HD1 . . . . . 17 . HB1 . . c17669_2ldj 1 384 1 OR . 1 1 18 18 PRO HD2 H . . . 1 1 17 17 PRO HB2 H . . . . . 0.554 0.000 6.000 . . . . . A . 18 PRO HD2 . . A . 17 PRO HB2 . . . 18 . HD1 . . . . . 17 . HB1 . . c17669_2ldj 1 384 2 OR . 1 1 18 18 PRO HD3 H . . . 1 1 17 17 PRO HB2 H . . . . . 0.554 0.000 6.000 . . . . . A . 18 PRO HD3 . . A . 17 PRO HB2 . . . 18 . HD2 . . . . . 17 . HB1 . . c17669_2ldj 1 385 1 . . 1 1 17 17 PRO HD2 H . . . 1 1 17 17 PRO HD3 H . . . . . 0.409 0.000 6.000 . . . . . A . 17 PRO HD2 . . A . 17 PRO HD3 . . . 17 . HD1 . . . . . 17 . HD2 . . c17669_2ldj 1 386 1 . . 1 1 20 20 SER H H . . . 1 1 19 19 PRO HB3 H . . . . . 0.610 0.563 0.657 . . . . . A . 20 SER H . . A . 19 PRO HB3 . . . 20 . HN . . . . . 19 . HB2 . . c17669_2ldj 1 387 1 . . 1 1 17 17 PRO HG2 H . . . 1 1 17 17 PRO HA H . . . . . 0.577 0.000 6.000 . . . . . A . 17 PRO HG2 . . A . 17 PRO HA . . . 17 . HG1 . . . . . 17 . HA . . c17669_2ldj 1 388 1 . . 1 1 17 17 PRO HG2 H . . . 1 1 17 17 PRO HB2 H . . . . . 0.466 0.000 6.000 . . . . . A . 17 PRO HG2 . . A . 17 PRO HB2 . . . 17 . HG1 . . . . . 17 . HB1 . . c17669_2ldj 1 389 1 . . 1 1 17 17 PRO HG3 H . . . 1 1 17 17 PRO HD3 H . . . . . 0.477 0.000 6.000 . . . . . A . 17 PRO HG3 . . A . 17 PRO HD3 . . . 17 . HG2 . . . . . 17 . HD2 . . c17669_2ldj 1 390 1 . . 1 1 18 18 PRO HA H . . . 1 1 6 6 TRP HE1 H . . . . . 0.706 0.000 6.000 . . . . . A . 18 PRO HA . . A . 6 TRP HE1 . . . 18 . HA . . . . . 6 . HE1 . . c17669_2ldj 1 391 1 OR . 1 1 18 18 PRO HA H . . . 1 1 18 18 PRO HD2 H . . . . . 0.703 0.000 6.000 . . . . . A . 18 PRO HA . . A . 18 PRO HD2 . . . 18 . HA . . . . . 18 . HD1 . . c17669_2ldj 1 391 2 OR . 1 1 18 18 PRO HA H . . . 1 1 18 18 PRO HD3 H . . . . . 0.703 0.000 6.000 . . . . . A . 18 PRO HA . . A . 18 PRO HD3 . . . 18 . HA . . . . . 18 . HD2 . . c17669_2ldj 1 392 1 . . 1 1 18 18 PRO HA H . . . 1 1 19 19 PRO HD2 H . . . . . 0.479 0.000 6.000 . . . . . A . 18 PRO HA . . A . 19 PRO HD2 . . . 18 . HA . . . . . 19 . HD1 . . c17669_2ldj 1 393 1 . . 1 1 18 18 PRO HA H . . . 1 1 18 18 PRO HB3 H . . . . . 0.579 0.000 6.000 . . . . . A . 18 PRO HA . . A . 18 PRO HB3 . . . 18 . HA . . . . . 18 . HB2 . . c17669_2ldj 1 394 1 OR . 1 1 18 18 PRO HB3 H . . . 1 1 18 18 PRO HD2 H . . . . . 0.650 0.000 6.000 . . . . . A . 18 PRO HB3 . . A . 18 PRO HD2 . . . 18 . HB2 . . . . . 18 . HD1 . . c17669_2ldj 1 394 2 OR . 1 1 18 18 PRO HB3 H . . . 1 1 18 18 PRO HD3 H . . . . . 0.650 0.000 6.000 . . . . . A . 18 PRO HB3 . . A . 18 PRO HD3 . . . 18 . HB2 . . . . . 18 . HD2 . . c17669_2ldj 1 395 1 OR . 1 1 18 18 PRO HB3 H . . . 1 1 18 18 PRO HG2 H . . . . . 0.568 0.000 6.000 . . . . . A . 18 PRO HB3 . . A . 18 PRO HG2 . . . 18 . HB2 . . . . . 18 . HG1 . . c17669_2ldj 1 395 2 OR . 1 1 18 18 PRO HB3 H . . . 1 1 18 18 PRO HG3 H . . . . . 0.568 0.000 6.000 . . . . . A . 18 PRO HB3 . . A . 18 PRO HG3 . . . 18 . HB2 . . . . . 18 . HG2 . . c17669_2ldj 1 396 1 . . 1 1 19 19 PRO HD2 H . . . 1 1 18 18 PRO HB3 H . . . . . 0.681 0.000 6.000 . . . . . A . 19 PRO HD2 . . A . 18 PRO HB3 . . . 19 . HD1 . . . . . 18 . HB2 . . c17669_2ldj 1 397 1 OR . 1 1 3 3 TYR HE2 H . . . 1 1 18 18 PRO HB2 H . . . . . 0.603 0.000 6.000 . . . . . A . 3 TYR HE2 . . A . 18 PRO HB2 . . . 3 . HE2 . . . . . 18 . HB1 . . c17669_2ldj 1 397 2 OR . 1 1 3 3 TYR HE1 H . . . 1 1 18 18 PRO HB2 H . . . . . 0.603 0.000 6.000 . . . . . A . 3 TYR HE1 . . A . 18 PRO HB2 . . . 3 . HE1 . . . . . 18 . HB1 . . c17669_2ldj 1 398 1 . . 1 1 18 18 PRO HA H . . . 1 1 18 18 PRO HB2 H . . . . . 0.536 0.000 6.000 . . . . . A . 18 PRO HA . . A . 18 PRO HB2 . . . 18 . HA . . . . . 18 . HB1 . . c17669_2ldj 1 399 1 . . 1 1 18 18 PRO HB3 H . . . 1 1 18 18 PRO HB2 H . . . . . 0.408 0.000 6.000 . . . . . A . 18 PRO HB3 . . A . 18 PRO HB2 . . . 18 . HB2 . . . . . 18 . HB1 . . c17669_2ldj 1 400 1 OR . 1 1 18 18 PRO HB2 H . . . 1 1 18 18 PRO HG2 H . . . . . 0.563 0.000 6.000 . . . . . A . 18 PRO HB2 . . A . 18 PRO HG2 . . . 18 . HB1 . . . . . 18 . HG1 . . c17669_2ldj 1 400 2 OR . 1 1 18 18 PRO HB2 H . . . 1 1 18 18 PRO HG3 H . . . . . 0.563 0.000 6.000 . . . . . A . 18 PRO HB2 . . A . 18 PRO HG3 . . . 18 . HB1 . . . . . 18 . HG2 . . c17669_2ldj 1 401 1 . . 1 1 19 19 PRO HD3 H . . . 1 1 18 18 PRO HB2 H . . . . . 0.649 0.000 6.000 . . . . . A . 19 PRO HD3 . . A . 18 PRO HB2 . . . 19 . HD2 . . . . . 18 . HB1 . . c17669_2ldj 1 402 1 OR . 1 1 6 6 TRP HZ2 H . . . 1 1 18 18 PRO HG2 H . . . . . 0.637 0.000 6.000 . . . . . A . 6 TRP HZ2 . . A . 18 PRO HG2 . . . 6 . HZ2 . . . . . 18 . HG1 . . c17669_2ldj 1 402 2 OR . 1 1 6 6 TRP HZ2 H . . . 1 1 18 18 PRO HG3 H . . . . . 0.637 0.000 6.000 . . . . . A . 6 TRP HZ2 . . A . 18 PRO HG3 . . . 6 . HZ2 . . . . . 18 . HG2 . . c17669_2ldj 1 403 1 OR . 1 1 18 18 PRO HD2 H . . . 1 1 18 18 PRO HG2 H . . . . . 0.474 0.000 6.000 . . . . . A . 18 PRO HD2 . . A . 18 PRO HG2 . . . 18 . HD1 . . . . . 18 . HG1 . . c17669_2ldj 1 403 2 OR . 1 1 18 18 PRO HD3 H . . . 1 1 18 18 PRO HG2 H . . . . . 0.474 0.000 6.000 . . . . . A . 18 PRO HD3 . . A . 18 PRO HG2 . . . 18 . HD2 . . . . . 18 . HG1 . . c17669_2ldj 1 403 3 OR . 1 1 18 18 PRO HD2 H . . . 1 1 18 18 PRO HG3 H . . . . . 0.474 0.000 6.000 . . . . . A . 18 PRO HD2 . . A . 18 PRO HG3 . . . 18 . HD1 . . . . . 18 . HG2 . . c17669_2ldj 1 403 4 OR . 1 1 18 18 PRO HD3 H . . . 1 1 18 18 PRO HG3 H . . . . . 0.474 0.000 6.000 . . . . . A . 18 PRO HD3 . . A . 18 PRO HG3 . . . 18 . HD2 . . . . . 18 . HG2 . . c17669_2ldj 1 404 1 . . 1 1 1 1 ASN HA H . . . 1 1 2 2 LEU H H . . . . . 0.505 0.000 6.000 . . . . . A . 1 ASN HA . . A . 2 LEU H . . . 1 . HA . . . . . 2 . HN . . c17669_2ldj 1 405 1 . . 1 1 19 19 PRO HA H . . . 1 1 20 20 SER H H . . . . . 0.482 0.000 6.000 . . . . . A . 19 PRO HA . . A . 20 SER H . . . 19 . HA . . . . . 20 . HN . . c17669_2ldj 1 406 1 OR . 1 1 3 3 TYR HD2 H . . . 1 1 19 19 PRO HB3 H . . . . . 0.542 0.000 6.000 . . . . . A . 3 TYR HD2 . . A . 19 PRO HB3 . . . 3 . HD2 . . . . . 19 . HB2 . . c17669_2ldj 1 406 2 OR . 1 1 3 3 TYR HD1 H . . . 1 1 19 19 PRO HB3 H . . . . . 0.542 0.000 6.000 . . . . . A . 3 TYR HD1 . . A . 19 PRO HB3 . . . 3 . HD1 . . . . . 19 . HB2 . . c17669_2ldj 1 407 1 . . 1 1 19 19 PRO HB3 H . . . 1 1 19 19 PRO HB2 H . . . . . 0.410 0.000 6.000 . . . . . A . 19 PRO HB3 . . A . 19 PRO HB2 . . . 19 . HB2 . . . . . 19 . HB1 . . c17669_2ldj 1 408 1 OR . 1 1 4 4 ILE HB H . . . 1 1 8 8 LYS HE2 H . . . . . 0.670 0.000 6.000 . . . . . A . 4 ILE HB . . A . 8 LYS HE2 . . . 4 . HB . . . . . 8 . HE1 . . c17669_2ldj 1 408 2 OR . 1 1 4 4 ILE HB H . . . 1 1 8 8 LYS HE3 H . . . . . 0.670 0.000 6.000 . . . . . A . 4 ILE HB . . A . 8 LYS HE3 . . . 4 . HB . . . . . 8 . HE2 . . c17669_2ldj 1 409 1 . . 1 1 19 19 PRO HA H . . . 1 1 19 19 PRO HB2 H . . . . . 0.487 0.000 6.000 . . . . . A . 19 PRO HA . . A . 19 PRO HB2 . . . 19 . HA . . . . . 19 . HB1 . . c17669_2ldj 1 410 1 OR . 1 1 3 3 TYR HD2 H . . . 1 1 19 19 PRO HD3 H . . . . . 0.572 0.000 6.000 . . . . . A . 3 TYR HD2 . . A . 19 PRO HD3 . . . 3 . HD2 . . . . . 19 . HD2 . . c17669_2ldj 1 410 2 OR . 1 1 3 3 TYR HD1 H . . . 1 1 19 19 PRO HD3 H . . . . . 0.572 0.000 6.000 . . . . . A . 3 TYR HD1 . . A . 19 PRO HD3 . . . 3 . HD1 . . . . . 19 . HD2 . . c17669_2ldj 1 411 1 OR . 1 1 3 3 TYR HE2 H . . . 1 1 19 19 PRO HD3 H . . . . . 0.590 0.000 6.000 . . . . . A . 3 TYR HE2 . . A . 19 PRO HD3 . . . 3 . HE2 . . . . . 19 . HD2 . . c17669_2ldj 1 411 2 OR . 1 1 3 3 TYR HE1 H . . . 1 1 19 19 PRO HD3 H . . . . . 0.590 0.000 6.000 . . . . . A . 3 TYR HE1 . . A . 19 PRO HD3 . . . 3 . HE1 . . . . . 19 . HD2 . . c17669_2ldj 1 412 1 . . 1 1 6 6 TRP HB2 H . . . 1 1 19 19 PRO HD3 H . . . . . 0.612 0.000 6.000 . . . . . A . 6 TRP HB2 . . A . 19 PRO HD3 . . . 6 . HB1 . . . . . 19 . HD2 . . c17669_2ldj 1 413 1 . . 1 1 19 19 PRO HD2 H . . . 1 1 19 19 PRO HD3 H . . . . . 0.401 0.000 6.000 . . . . . A . 19 PRO HD2 . . A . 19 PRO HD3 . . . 19 . HD1 . . . . . 19 . HD2 . . c17669_2ldj 1 414 1 OR . 1 1 2 2 LEU H H . . . 1 1 3 3 TYR HB2 H . . . . . 0.817 0.000 6.000 . . . . . A . 2 LEU H . . A . 3 TYR HB2 . . . 2 . HN . . . . . 3 . HB1 . . c17669_2ldj 1 414 2 OR . 1 1 2 2 LEU H H . . . 1 1 3 3 TYR HB3 H . . . . . 0.817 0.000 6.000 . . . . . A . 2 LEU H . . A . 3 TYR HB3 . . . 2 . HN . . . . . 3 . HB2 . . c17669_2ldj 1 415 1 OR . 1 1 3 3 TYR HD1 H . . . 1 1 3 3 TYR HB2 H . . . . . 0.437 0.000 6.000 . . . . . A . 3 TYR HD1 . . A . 3 TYR HB2 . . . 3 . HD1 . . . . . 3 . HB1 . . c17669_2ldj 1 415 2 OR . 1 1 3 3 TYR HD2 H . . . 1 1 3 3 TYR HB2 H . . . . . 0.437 0.000 6.000 . . . . . A . 3 TYR HD2 . . A . 3 TYR HB2 . . . 3 . HD2 . . . . . 3 . HB1 . . c17669_2ldj 1 415 3 OR . 1 1 3 3 TYR HD2 H . . . 1 1 3 3 TYR HB3 H . . . . . 0.437 0.000 6.000 . . . . . A . 3 TYR HD2 . . A . 3 TYR HB3 . . . 3 . HD2 . . . . . 3 . HB2 . . c17669_2ldj 1 415 4 OR . 1 1 3 3 TYR HD1 H . . . 1 1 3 3 TYR HB3 H . . . . . 0.437 0.000 6.000 . . . . . A . 3 TYR HD1 . . A . 3 TYR HB3 . . . 3 . HD1 . . . . . 3 . HB2 . . c17669_2ldj 1 416 1 OR . 1 1 19 19 PRO HD2 H . . . 1 1 3 3 TYR HE2 H . . . . . 0.664 0.000 6.000 . . . . . A . 19 PRO HD2 . . A . 3 TYR HE2 . . . 19 . HD1 . . . . . 3 . HE2 . . c17669_2ldj 1 416 2 OR . 1 1 19 19 PRO HD2 H . . . 1 1 3 3 TYR HE1 H . . . . . 0.664 0.000 6.000 . . . . . A . 19 PRO HD2 . . A . 3 TYR HE1 . . . 19 . HD1 . . . . . 3 . HE1 . . c17669_2ldj 1 417 1 OR . 1 1 3 3 TYR HD2 H . . . 1 1 19 19 PRO HG3 H . . . . . 0.600 0.000 6.000 . . . . . A . 3 TYR HD2 . . A . 19 PRO HG3 . . . 3 . HD2 . . . . . 19 . HG2 . . c17669_2ldj 1 417 2 OR . 1 1 3 3 TYR HD1 H . . . 1 1 19 19 PRO HG3 H . . . . . 0.600 0.000 6.000 . . . . . A . 3 TYR HD1 . . A . 19 PRO HG3 . . . 3 . HD1 . . . . . 19 . HG2 . . c17669_2ldj 1 418 1 . . 1 1 3 3 TYR H H . . . 1 1 2 2 LEU HG H . . . . . 0.706 0.000 6.000 . . . . . A . 3 TYR H . . A . 2 LEU HG . . . 3 . HN . . . . . 2 . HG . . c17669_2ldj 1 419 1 . . 1 1 17 17 PRO HB3 H . . . 1 1 17 17 PRO HG3 H . . . . . 7.135 0.000 6.000 . . . . . A . 17 PRO HB3 . . A . 17 PRO HG3 . . . 17 . HB2 . . . . . 17 . HG2 . . c17669_2ldj 1 420 1 . . 1 1 19 19 PRO HB2 H . . . 1 1 19 19 PRO HG3 H . . . . . 0.532 0.000 6.000 . . . . . A . 19 PRO HB2 . . A . 19 PRO HG3 . . . 19 . HB1 . . . . . 19 . HG2 . . c17669_2ldj 1 421 1 OR . 1 1 19 19 PRO HD3 H . . . 1 1 16 16 ARG HG2 H . . . . . 0.573 0.000 6.000 . . . . . A . 19 PRO HD3 . . A . 16 ARG HG2 . . . 19 . HD2 . . . . . 16 . HG1 . . c17669_2ldj 1 421 2 OR . 1 1 19 19 PRO HD3 H . . . 1 1 16 16 ARG HG3 H . . . . . 0.573 0.000 6.000 . . . . . A . 19 PRO HD3 . . A . 16 ARG HG3 . . . 19 . HD2 . . . . . 16 . HG2 . . c17669_2ldj 1 422 1 OR . 1 1 19 19 PRO HD2 H . . . 1 1 16 16 ARG HG2 H . . . . . 0.492 0.462 0.522 . . . . . A . 19 PRO HD2 . . A . 16 ARG HG2 . . . 19 . HD1 . . . . . 16 . HG1 . . c17669_2ldj 1 422 2 OR . 1 1 19 19 PRO HD2 H . . . 1 1 16 16 ARG HG3 H . . . . . 0.492 0.462 0.522 . . . . . A . 19 PRO HD2 . . A . 16 ARG HG3 . . . 19 . HD1 . . . . . 16 . HG2 . . c17669_2ldj 1 423 1 OR . 1 1 19 19 PRO HG2 H . . . 1 1 3 3 TYR HD2 H . . . . . 0.607 0.000 6.000 . . . . . A . 19 PRO HG2 . . A . 3 TYR HD2 . . . 19 . HG1 . . . . . 3 . HD2 . . c17669_2ldj 1 423 2 OR . 1 1 19 19 PRO HG2 H . . . 1 1 3 3 TYR HD1 H . . . . . 0.607 0.000 6.000 . . . . . A . 19 PRO HG2 . . A . 3 TYR HD1 . . . 19 . HG1 . . . . . 3 . HD1 . . c17669_2ldj 1 424 1 . . 1 1 19 19 PRO HG2 H . . . 1 1 19 19 PRO HD3 H . . . . . 0.527 0.000 6.000 . . . . . A . 19 PRO HG2 . . A . 19 PRO HD3 . . . 19 . HG1 . . . . . 19 . HD2 . . c17669_2ldj 1 425 1 OR . 1 1 2 2 LEU HG H . . . 1 1 3 3 TYR HB2 H . . . . . 0.514 0.000 6.000 . . . . . A . 2 LEU HG . . A . 3 TYR HB2 . . . 2 . HG . . . . . 3 . HB1 . . c17669_2ldj 1 425 2 OR . 1 1 2 2 LEU HG H . . . 1 1 3 3 TYR HB3 H . . . . . 0.514 0.000 6.000 . . . . . A . 2 LEU HG . . A . 3 TYR HB3 . . . 2 . HG . . . . . 3 . HB2 . . c17669_2ldj 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 'spec=10dQnoesy, no=4, id=1, vol=9.230000e+05' 1 127 1 173 c17669_2ldj 1 2 'spec=10dQnoesy, no=6, id=3, vol=7.570000e+07' 3 127 3 173 c17669_2ldj 1 3 'spec=10dQnoesy, no=9, id=6, vol=6.010000e+06' 6 127 6 173 c17669_2ldj 1 4 'spec=10dQnoesy, no=10, id=7, vol=8.830000e+05' 9 127 9 174 c17669_2ldj 1 5 'spec=10dQnoesy, no=28, id=20, vol=1.870000e+06' 12 127 12 175 c17669_2ldj 1 6 'spec=10dQnoesy, no=30, id=22, vol=3.420000e+06' 14 127 14 175 c17669_2ldj 1 7 'spec=10dQnoesy, no=34, id=26, vol=3.060000e+06' 16 127 16 175 c17669_2ldj 1 8 'spec=10dQnoesy, no=37, id=29, vol=9.580000e+05' 22 127 22 175 c17669_2ldj 1 9 'spec=10dQnoesy, no=39, id=31, vol=1.950000e+06' 28 127 28 175 c17669_2ldj 1 10 'spec=10dQnoesy, no=40, id=32, vol=7.280000e+06' 37 127 37 175 c17669_2ldj 1 11 'spec=10dQnoesy, no=42, id=34, vol=2.540000e+07' 46 127 46 175 c17669_2ldj 1 12 'spec=10dQnoesy, no=43, id=35, vol=3.630000e+06' 58 127 58 175 c17669_2ldj 1 13 'spec=10dQnoesy, no=44, id=36, vol=1.110000e+06' 67 127 67 175 c17669_2ldj 1 14 'spec=10dQnoesy, no=48, id=40, vol=8.650000e+06' 76 127 76 175 c17669_2ldj 1 15 'spec=10dQnoesy, no=50, id=41, vol=2.090000e+07' 78 127 78 175 c17669_2ldj 1 16 'spec=10dQnoesy, no=54, id=44, vol=5.040000e+06' 80 127 80 175 c17669_2ldj 1 17 'spec=10dQnoesy, no=57, id=47, vol=1.400000e+06' 82 127 82 175 c17669_2ldj 1 18 'spec=10dQnoesy, no=61, id=50, vol=1.720000e+06' 84 127 84 175 c17669_2ldj 1 19 'spec=10dQnoesy, no=70, id=57, vol=2.480000e+06' 87 127 87 175 c17669_2ldj 1 20 'spec=10dQnoesy, no=78, id=64, vol=1.240000e+06' 91 127 91 175 c17669_2ldj 1 21 'spec=10dQnoesy, no=84, id=70, vol=2.030000e+07' 93 127 93 175 c17669_2ldj 1 22 'spec=10dQnoesy, no=96, id=81, vol=2.690000e+06' 102 127 102 175 c17669_2ldj 1 23 'spec=10dQnoesy, no=97, id=82, vol=9.890000e+06' 104 127 104 175 c17669_2ldj 1 24 'spec=10dQnoesy, no=101, id=85, vol=1.080000e+06' 106 127 106 176 c17669_2ldj 1 25 'spec=10dQnoesy, no=105, id=89, vol=2.330000e+07' 108 127 108 176 c17669_2ldj 1 26 'spec=10dQnoesy, no=125, id=106, vol=1.920000e+07' 117 127 117 177 c17669_2ldj 1 27 'spec=10dQnoesy, no=129, id=110, vol=6.080000e+06' 119 127 119 177 c17669_2ldj 1 28 'spec=10dQnoesy, no=133, id=114, vol=4.470000e+06' 123 127 123 177 c17669_2ldj 1 29 'spec=10dQnoesy, no=136, id=116, vol=4.170000e+06' 125 127 125 177 c17669_2ldj 1 30 'spec=10dQnoesy, no=137, id=117, vol=1.430000e+06' 129 127 129 177 c17669_2ldj 1 31 'spec=10dQnoesy, no=143, id=122, vol=2.980000e+06' 131 127 131 177 c17669_2ldj 1 32 'spec=10dQnoesy, no=153, id=131, vol=9.460000e+06' 134 127 134 177 c17669_2ldj 1 33 'spec=10dQnoesy, no=154, id=132, vol=1.340000e+06' 138 127 138 177 c17669_2ldj 1 34 'spec=10dQnoesy, no=157, id=135, vol=3.450000e+06' 141 127 141 177 c17669_2ldj 1 35 'spec=10dQnoesy, no=164, id=141, vol=1.350000e+07' 143 127 143 177 c17669_2ldj 1 36 'spec=10dQnoesy, no=168, id=144, vol=1.300000e+07' 145 127 145 177 c17669_2ldj 1 37 'spec=10dQnoesy, no=169, id=145, vol=2.510000e+06' 148 127 148 177 c17669_2ldj 1 38 'spec=10dQnoesy, no=172, id=146, vol=7.176000e+00' 151 127 151 177 c17669_2ldj 1 39 'spec=10dQnoesy, no=173, id=147, vol=7.098000e+00' 153 127 153 177 c17669_2ldj 1 40 'spec=10dQnoesy, no=175, id=149, vol=4.480000e+06' 155 127 155 177 c17669_2ldj 1 41 'spec=10dQnoesy, no=177, id=150, vol=6.050000e+06' 157 127 157 177 c17669_2ldj 1 42 'spec=10dQnoesy, no=183, id=153, vol=2.660000e+06' 159 127 159 177 c17669_2ldj 1 43 'spec=10dQnoesy, no=185, id=155, vol=1.220000e+07' 165 127 165 177 c17669_2ldj 1 44 'spec=10dQnoesy, no=187, id=156, vol=6.920000e+06' 168 127 168 177 c17669_2ldj 1 45 'spec=10dQnoesy, no=188, id=157, vol=2.750000e+06' 171 127 171 177 c17669_2ldj 1 46 'spec=10dQnoesy, no=189, id=158, vol=8.560000e+05' 174 127 174 177 c17669_2ldj 1 47 'spec=10dQnoesy, no=191, id=160, vol=9.450000e+06' 177 127 177 177 c17669_2ldj 1 48 'spec=10dQnoesy, no=193, id=162, vol=1.020000e+07' 180 127 180 177 c17669_2ldj 1 49 'spec=10dQnoesy, no=197, id=165, vol=4.160000e+06' 183 127 183 177 c17669_2ldj 1 50 'spec=10dQnoesy, no=198, id=166, vol=1.450000e+07' 185 127 185 177 c17669_2ldj 1 51 'spec=10dQnoesy, no=203, id=171, vol=8.790000e+06' 187 127 187 177 c17669_2ldj 1 52 'spec=10dQnoesy, no=204, id=172, vol=1.230000e+07' 205 127 205 177 c17669_2ldj 1 53 'spec=10dQnoesy, no=205, id=173, vol=3.270000e+06' 223 127 223 177 c17669_2ldj 1 54 'spec=10dQnoesy, no=206, id=174, vol=1.960000e+06' 235 127 235 177 c17669_2ldj 1 55 'spec=10dQnoesy, no=207, id=175, vol=5.230000e+06' 244 127 244 177 c17669_2ldj 1 56 'spec=10dQnoesy, no=209, id=177, vol=1.620000e+07' 253 127 253 177 c17669_2ldj 1 57 'spec=10dQnoesy, no=210, id=178, vol=2.420000e+07' 259 127 259 177 c17669_2ldj 1 58 'spec=10dQnoesy, no=211, id=179, vol=3.270000e+06' 268 127 268 177 c17669_2ldj 1 59 'spec=10dQnoesy, no=212, id=180, vol=2.050000e+06' 277 127 277 177 c17669_2ldj 1 60 'spec=10dQnoesy, no=216, id=184, vol=9.050000e+06' 286 127 286 177 c17669_2ldj 1 61 'spec=10dQnoesy, no=227, id=195, vol=4.080000e+06' 298 127 298 177 c17669_2ldj 1 62 'spec=10dQnoesy, no=228, id=196, vol=2.120000e+06' 310 127 310 177 c17669_2ldj 1 63 'spec=10dQnoesy, no=229, id=197, vol=4.370000e+06' 328 127 328 177 c17669_2ldj 1 64 'spec=10dQnoesy, no=230, id=198, vol=1.420000e+07' 332 127 332 177 c17669_2ldj 1 65 'spec=10dQnoesy, no=231, id=199, vol=2.390000e+06' 335 127 335 177 c17669_2ldj 1 66 'spec=10dQnoesy, no=232, id=200, vol=6.460000e+06' 338 127 338 177 c17669_2ldj 1 67 'spec=10dQnoesy, no=239, id=206, vol=4.340000e+07' 340 127 340 177 c17669_2ldj 1 68 'spec=10dQnoesy, no=241, id=208, vol=9.740000e+06' 343 127 343 177 c17669_2ldj 1 69 'spec=10dQnoesy, no=249, id=216, vol=4.530000e+06' 346 127 346 177 c17669_2ldj 1 70 'spec=10dQnoesy, no=252, id=219, vol=2.850000e+06' 348 127 348 177 c17669_2ldj 1 71 'spec=10dQnoesy, no=254, id=221, vol=1.650000e+06' 352 127 352 177 c17669_2ldj 1 72 'spec=10dQnoesy, no=262, id=225, vol=4.780000e+06' 354 127 354 177 c17669_2ldj 1 73 'spec=10dQnoesy, no=274, id=236, vol=7.230000e+06' 357 127 357 177 c17669_2ldj 1 74 'spec=10dQnoesy, no=275, id=237, vol=3.060000e+05' 359 127 359 177 c17669_2ldj 1 75 'spec=10dQnoesy, no=282, id=241, vol=7.980000e+05' 361 127 361 177 c17669_2ldj 1 76 'spec=10dQnoesy, no=302, id=258, vol=2.840000e+06' 364 127 364 177 c17669_2ldj 1 77 'spec=10dQnoesy, no=315, id=269, vol=5.450000e+06' 366 127 366 177 c17669_2ldj 1 78 'spec=10dQnoesy, no=317, id=271, vol=2.960000e+06' 368 127 368 177 c17669_2ldj 1 79 'spec=10dQnoesy, no=318, id=272, vol=2.280000e+06' 372 127 372 177 c17669_2ldj 1 80 'spec=10dQnoesy, no=319, id=273, vol=3.940000e+06' 375 127 375 177 c17669_2ldj 1 81 'spec=10dQnoesy, no=321, id=275, vol=1.930000e+07' 378 127 378 177 c17669_2ldj 1 82 'spec=10dQnoesy, no=322, id=276, vol=1.990000e+07' 380 127 380 177 c17669_2ldj 1 83 'spec=10dQnoesy, no=323, id=277, vol=1.730000e+06' 383 127 383 177 c17669_2ldj 1 84 'spec=10dQnoesy, no=328, id=280, vol=1.930000e+06' 386 127 386 177 c17669_2ldj 1 85 'spec=10dQnoesy, no=331, id=283, vol=1.510000e+06' 388 127 388 177 c17669_2ldj 1 86 'spec=10dQnoesy, no=333, id=285, vol=5.550000e+07' 390 127 390 177 c17669_2ldj 1 87 'spec=10dQnoesy, no=339, id=290, vol=3.060000e+06' 392 127 392 177 c17669_2ldj 1 88 'spec=10dQnoesy, no=341, id=292, vol=2.260000e+06' 395 127 395 177 c17669_2ldj 1 89 'spec=10dQnoesy, no=342, id=293, vol=9.030000e+05' 397 127 397 177 c17669_2ldj 1 90 'spec=10dQnoesy, no=343, id=294, vol=1.800000e+06' 399 127 399 177 c17669_2ldj 1 91 'spec=10dQnoesy, no=345, id=296, vol=1.100000e+07' 402 127 402 177 c17669_2ldj 1 92 'spec=10dQnoesy, no=346, id=297, vol=1.160000e+07' 405 127 405 177 c17669_2ldj 1 93 'spec=10dQnoesy, no=347, id=298, vol=3.010000e+06' 408 127 408 177 c17669_2ldj 1 94 'spec=10dQnoesy, no=348, id=299, vol=1.440000e+06' 411 127 411 177 c17669_2ldj 1 95 'spec=10dQnoesy, no=349, id=300, vol=3.300000e+06' 414 127 414 177 c17669_2ldj 1 96 'spec=10dQnoesy, no=351, id=302, vol=1.820000e+06' 417 127 417 177 c17669_2ldj 1 97 'spec=10dQnoesy, no=355, id=306, vol=1.760000e+07' 420 127 420 177 c17669_2ldj 1 98 'spec=10dQnoesy, no=358, id=309, vol=1.040000e+06' 422 127 422 177 c17669_2ldj 1 99 'spec=10dQnoesy, no=380, id=327, vol=5.860000e+07' 426 127 426 177 c17669_2ldj 1 100 'spec=10dQnoesy, no=384, id=331, vol=3.330000e+06' 428 127 428 177 c17669_2ldj 1 101 'spec=10dQnoesy, no=385, id=332, vol=1.510000e+06' 430 127 430 177 c17669_2ldj 1 102 'spec=10dQnoesy, no=387, id=333, vol=4.450000e+06' 432 127 432 177 c17669_2ldj 1 103 'spec=10dQnoesy, no=396, id=340, vol=4.130000e+06' 435 127 435 177 c17669_2ldj 1 104 'spec=10dQnoesy, no=397, id=341, vol=1.470000e+06' 437 127 437 177 c17669_2ldj 1 105 'spec=10dQnoesy, no=399, id=342, vol=3.090000e+06' 439 127 439 177 c17669_2ldj 1 106 'spec=10dQnoesy, no=400, id=343, vol=3.660000e+06' 443 127 443 177 c17669_2ldj 1 107 'spec=10dQnoesy, no=401, id=344, vol=6.100000e+06' 445 127 445 177 c17669_2ldj 1 108 'spec=10dQnoesy, no=406, id=349, vol=6.990000e+06' 447 127 447 177 c17669_2ldj 1 109 'spec=10dQnoesy, no=409, id=351, vol=3.530000e+06' 450 127 450 177 c17669_2ldj 1 110 'spec=10dQnoesy, no=412, id=354, vol=1.860000e+06' 453 127 453 177 c17669_2ldj 1 111 'spec=10dQnoesy, no=420, id=361, vol=2.950000e+06' 456 127 456 177 c17669_2ldj 1 112 'spec=10dQnoesy, no=422, id=363, vol=1.960000e+06' 458 127 458 177 c17669_2ldj 1 113 'spec=10dQnoesy, no=424, id=365, vol=2.050000e+06' 461 127 461 177 c17669_2ldj 1 114 'spec=10dQnoesy, no=440, id=378, vol=6.540000e+06' 464 127 464 177 c17669_2ldj 1 115 'spec=10dQnoesy, no=456, id=392, vol=1.860000e+07' 467 127 467 177 c17669_2ldj 1 116 'spec=10dQnoesy, no=457, id=393, vol=1.870000e+06' 469 127 469 177 c17669_2ldj 1 117 'spec=10dQnoesy, no=461, id=396, vol=1.685000e+00' 471 127 471 177 c17669_2ldj 1 118 'spec=10dQnoesy, no=462, id=397, vol=1.370000e+07' 473 127 473 177 c17669_2ldj 1 119 'spec=10dQnoesy, no=464, id=399, vol=2.860000e+06' 476 127 476 177 c17669_2ldj 1 120 'spec=10dQnoesy, no=465, id=400, vol=4.290000e+06' 480 127 480 177 c17669_2ldj 1 121 'spec=10dQnoesy, no=468, id=403, vol=1.010000e+07' 484 127 484 177 c17669_2ldj 1 122 'spec=10dQnoesy, no=470, id=405, vol=5.840000e+06' 486 127 486 177 c17669_2ldj 1 123 'spec=10dQnoesy, no=475, id=410, vol=3.560000e+06' 489 127 489 177 c17669_2ldj 1 124 'spec=10dQnoesy, no=479, id=414, vol=1.590000e+06' 492 127 492 177 c17669_2ldj 1 125 'spec=10dQnoesy, no=480, id=415, vol=3.180000e+06' 495 127 495 177 c17669_2ldj 1 126 'spec=10dQnoesy, no=482, id=417, vol=3.450000e+07' 501 127 501 177 c17669_2ldj 1 127 'spec=10dQnoesy, no=484, id=418, vol=9.740000e+05' 507 127 507 177 c17669_2ldj 1 128 'spec=10dQnoesy, no=486, id=420, vol=1.700000e+06' 513 127 513 177 c17669_2ldj 1 129 'spec=10dQnoesy, no=496, id=428, vol=3.590000e+06' 517 127 517 177 c17669_2ldj 1 130 'spec=10dQnoesy, no=498, id=430, vol=7.630000e+06' 522 127 522 177 c17669_2ldj 1 131 'spec=10dQnoesy, no=499, id=431, vol=7.320000e+06' 529 127 529 177 c17669_2ldj 1 132 'spec=10dQnoesy, no=503, id=435, vol=1.410000e+06' 532 127 532 177 c17669_2ldj 1 133 'spec=10dQnoesy, no=504, id=436, vol=8.350000e+06' 535 127 535 177 c17669_2ldj 1 134 'spec=10dQnoesy, no=505, id=437, vol=5.390000e+06' 538 127 538 177 c17669_2ldj 1 135 'spec=10dQnoesy, no=511, id=443, vol=3.790000e+06' 541 127 541 177 c17669_2ldj 1 136 'spec=10dQnoesy, no=512, id=444, vol=8.480000e+06' 544 127 544 177 c17669_2ldj 1 137 'spec=10dQnoesy, no=515, id=447, vol=1.170000e+06' 546 127 546 177 c17669_2ldj 1 138 'spec=10dQnoesy, no=516, id=448, vol=1.800000e+06' 550 127 550 177 c17669_2ldj 1 139 'spec=10dQnoesy, no=521, id=453, vol=9.480000e+06' 552 127 552 177 c17669_2ldj 1 140 'spec=10dQnoesy, no=523, id=455, vol=6.550000e+06' 554 127 554 177 c17669_2ldj 1 141 'spec=10dQnoesy, no=524, id=456, vol=1.770000e+06' 557 127 557 177 c17669_2ldj 1 142 'spec=10dQnoesy, no=525, id=457, vol=1.950000e+00' 559 127 559 177 c17669_2ldj 1 143 'spec=10dQnoesy, no=526, id=458, vol=8.540000e+06' 561 127 561 177 c17669_2ldj 1 144 'spec=10dQnoesy, no=3, id=0, vol=9.280000e+05' 565 127 565 173 c17669_2ldj 1 145 'spec=10dQnoesy, no=5, id=2, vol=4.319000e+00' 566 127 566 173 c17669_2ldj 1 146 'spec=10dQnoesy, no=7, id=4, vol=6.840000e+06' 567 127 567 173 c17669_2ldj 1 147 'spec=10dQnoesy, no=8, id=5, vol=1.750000e+06' 568 127 568 173 c17669_2ldj 1 148 'spec=10dQnoesy, no=11, id=8, vol=1.060000e+06' 569 127 569 174 c17669_2ldj 1 149 'spec=10dQnoesy, no=12, id=9, vol=9.740000e+06' 570 127 570 174 c17669_2ldj 1 150 'spec=10dQnoesy, no=15, id=11, vol=4.750000e+06' 571 127 571 175 c17669_2ldj 1 151 'spec=10dQnoesy, no=16, id=12, vol=1.800000e+06' 572 127 572 175 c17669_2ldj 1 152 'spec=10dQnoesy, no=17, id=13, vol=1.980000e+06' 573 127 573 175 c17669_2ldj 1 153 'spec=10dQnoesy, no=18, id=14, vol=3.790000e+06' 574 127 574 175 c17669_2ldj 1 154 'spec=10dQnoesy, no=20, id=15, vol=5.890000e+07' 575 127 575 175 c17669_2ldj 1 155 'spec=10dQnoesy, no=23, id=16, vol=5.840000e+06' 576 127 576 175 c17669_2ldj 1 156 'spec=10dQnoesy, no=24, id=17, vol=3.570000e+06' 577 127 577 175 c17669_2ldj 1 157 'spec=10dQnoesy, no=29, id=21, vol=1.500000e+07' 578 127 578 175 c17669_2ldj 1 158 'spec=10dQnoesy, no=31, id=23, vol=1.310000e+07' 579 127 579 175 c17669_2ldj 1 159 'spec=10dQnoesy, no=35, id=27, vol=2.050000e+06' 581 127 581 175 c17669_2ldj 1 160 'spec=10dQnoesy, no=32, id=24, vol=4.180000e+06' 580 127 580 175 c17669_2ldj 1 161 'spec=10dQnoesy, no=36, id=28, vol=8.340000e+05' 584 127 584 175 c17669_2ldj 1 162 'spec=10dQnoesy, no=38, id=30, vol=3.550000e+06' 587 127 587 175 c17669_2ldj 1 163 'spec=10dQnoesy, no=41, id=33, vol=1.240000e+06' 590 127 590 175 c17669_2ldj 1 164 'spec=10dQnoesy, no=45, id=37, vol=1.600000e+06' 593 127 593 175 c17669_2ldj 1 165 'spec=10dQnoesy, no=46, id=38, vol=8.700000e+05' 596 127 596 175 c17669_2ldj 1 166 'spec=10dQnoesy, no=52, id=42, vol=1.050000e+07' 602 127 602 175 c17669_2ldj 1 167 'spec=10dQnoesy, no=53, id=43, vol=6.480000e+06' 604 127 604 175 c17669_2ldj 1 168 'spec=10dQnoesy, no=55, id=45, vol=2.380000e+06' 605 127 605 175 c17669_2ldj 1 169 'spec=10dQnoesy, no=58, id=48, vol=8.880000e+06' 607 127 607 175 c17669_2ldj 1 170 'spec=10dQnoesy, no=56, id=46, vol=3.800000e+06' 606 127 606 175 c17669_2ldj 1 171 'spec=10dQnoesy, no=59, id=49, vol=2.500000e+07' 609 127 609 175 c17669_2ldj 1 172 'spec=10dQnoesy, no=62, id=51, vol=1.940000e+06' 611 127 611 175 c17669_2ldj 1 173 'spec=10dQnoesy, no=63, id=52, vol=1.190000e+07' 613 127 613 175 c17669_2ldj 1 174 'spec=10dQnoesy, no=64, id=53, vol=6.080000e+06' 615 127 615 175 c17669_2ldj 1 175 'spec=10dQnoesy, no=65, id=54, vol=3.970000e+07' 617 127 617 175 c17669_2ldj 1 176 'spec=10dQnoesy, no=69, id=56, vol=3.380000e+06' 622 127 622 175 c17669_2ldj 1 177 'spec=10dQnoesy, no=67, id=55, vol=5.130000e+06' 621 127 621 175 c17669_2ldj 1 178 'spec=10dQnoesy, no=72, id=58, vol=7.470000e+06' 624 127 624 175 c17669_2ldj 1 179 'spec=10dQnoesy, no=73, id=59, vol=3.010000e+06' 625 127 625 175 c17669_2ldj 1 180 'spec=10dQnoesy, no=74, id=60, vol=3.730000e+06' 626 127 626 175 c17669_2ldj 1 181 'spec=10dQnoesy, no=75, id=61, vol=1.470000e+06' 627 127 627 175 c17669_2ldj 1 182 'spec=10dQnoesy, no=76, id=62, vol=4.180000e+06' 628 127 628 175 c17669_2ldj 1 183 'spec=10dQnoesy, no=77, id=63, vol=9.880000e+06' 629 127 629 175 c17669_2ldj 1 184 'spec=10dQnoesy, no=79, id=65, vol=1.160000e+07' 630 127 630 175 c17669_2ldj 1 185 'spec=10dQnoesy, no=80, id=66, vol=1.920000e+07' 631 127 631 175 c17669_2ldj 1 186 'spec=10dQnoesy, no=82, id=68, vol=1.500000e+06' 633 127 633 175 c17669_2ldj 1 187 'spec=10dQnoesy, no=81, id=67, vol=7.750000e+06' 632 127 632 175 c17669_2ldj 1 188 'spec=10dQnoesy, no=85, id=71, vol=2.100000e+07' 636 127 636 175 c17669_2ldj 1 189 'spec=10dQnoesy, no=87, id=73, vol=4.260000e+06' 639 127 639 175 c17669_2ldj 1 190 'spec=10dQnoesy, no=89, id=75, vol=5.690000e+05' 642 127 642 175 c17669_2ldj 1 191 'spec=10dQnoesy, no=91, id=77, vol=1.965000e+00' 644 127 644 175 c17669_2ldj 1 192 'spec=10dQnoesy, no=90, id=76, vol=6.260000e+06' 643 127 643 175 c17669_2ldj 1 193 'spec=10dQnoesy, no=93, id=78, vol=8.280000e+06' 646 127 646 175 c17669_2ldj 1 194 'spec=10dQnoesy, no=94, id=79, vol=1.130000e+06' 647 127 647 175 c17669_2ldj 1 195 'spec=10dQnoesy, no=95, id=80, vol=7.302000e+00' 648 127 648 175 c17669_2ldj 1 196 'spec=10dQnoesy, no=98, id=83, vol=5.970000e+07' 649 127 649 175 c17669_2ldj 1 197 'spec=10dQnoesy, no=102, id=86, vol=2.580000e+07' 651 127 651 176 c17669_2ldj 1 198 'spec=10dQnoesy, no=100, id=84, vol=9.220000e+06' 650 127 650 176 c17669_2ldj 1 199 'spec=10dQnoesy, no=107, id=91, vol=6.190000e+06' 657 127 657 176 c17669_2ldj 1 200 'spec=10dQnoesy, no=108, id=92, vol=2.910000e+06' 660 127 660 176 c17669_2ldj 1 201 'spec=10dQnoesy, no=110, id=94, vol=8.260000e+06' 663 127 663 176 c17669_2ldj 1 202 'spec=10dQnoesy, no=113, id=95, vol=1.430000e+06' 664 127 664 176 c17669_2ldj 1 203 'spec=10dQnoesy, no=114, id=96, vol=7.590000e+06' 665 127 665 176 c17669_2ldj 1 204 'spec=10dQnoesy, no=115, id=97, vol=3.090000e+06' 666 127 666 176 c17669_2ldj 1 205 'spec=10dQnoesy, no=117, id=99, vol=8.390000e+05' 668 127 668 176 c17669_2ldj 1 206 'spec=10dQnoesy, no=116, id=98, vol=1.830000e+06' 667 127 667 176 c17669_2ldj 1 207 'spec=10dQnoesy, no=118, id=100, vol=2.176000e+00' 670 127 670 177 c17669_2ldj 1 208 'spec=10dQnoesy, no=119, id=101, vol=2.480000e+07' 672 127 672 177 c17669_2ldj 1 209 'spec=10dQnoesy, no=120, id=102, vol=9.520000e+06' 674 127 674 177 c17669_2ldj 1 210 'spec=10dQnoesy, no=121, id=103, vol=5.740000e+06' 676 127 676 177 c17669_2ldj 1 211 'spec=10dQnoesy, no=122, id=104, vol=7.280000e+06' 678 127 678 177 c17669_2ldj 1 212 'spec=10dQnoesy, no=124, id=105, vol=5.350000e+07' 680 127 680 177 c17669_2ldj 1 213 'spec=10dQnoesy, no=126, id=107, vol=9.030000e+05' 681 127 681 177 c17669_2ldj 1 214 'spec=10dQnoesy, no=127, id=108, vol=2.450000e+07' 682 127 682 177 c17669_2ldj 1 215 'spec=10dQnoesy, no=128, id=109, vol=1.320000e+07' 683 127 683 177 c17669_2ldj 1 216 'spec=10dQnoesy, no=130, id=111, vol=5.930000e+06' 684 127 684 177 c17669_2ldj 1 217 'spec=10dQnoesy, no=131, id=112, vol=8.160000e+06' 685 127 685 177 c17669_2ldj 1 218 'spec=10dQnoesy, no=132, id=113, vol=1.290000e+07' 686 127 686 177 c17669_2ldj 1 219 'spec=10dQnoesy, no=135, id=115, vol=5.200000e+06' 687 127 687 177 c17669_2ldj 1 220 'spec=10dQnoesy, no=138, id=118, vol=7.240000e+05' 688 127 688 177 c17669_2ldj 1 221 'spec=10dQnoesy, no=139, id=119, vol=7.210000e+06' 689 127 689 177 c17669_2ldj 1 222 'spec=10dQnoesy, no=141, id=120, vol=7.200000e+06' 690 127 690 177 c17669_2ldj 1 223 'spec=10dQnoesy, no=142, id=121, vol=8.330000e+00' 691 127 691 177 c17669_2ldj 1 224 'spec=10dQnoesy, no=145, id=123, vol=5.890000e+06' 692 127 692 177 c17669_2ldj 1 225 'spec=10dQnoesy, no=146, id=124, vol=6.530000e+06' 693 127 693 177 c17669_2ldj 1 226 'spec=10dQnoesy, no=147, id=125, vol=3.670000e+06' 694 127 694 177 c17669_2ldj 1 227 'spec=10dQnoesy, no=148, id=126, vol=9.500000e+06' 695 127 695 177 c17669_2ldj 1 228 'spec=10dQnoesy, no=149, id=127, vol=2.350000e+06' 696 127 696 177 c17669_2ldj 1 229 'spec=10dQnoesy, no=151, id=129, vol=2.020000e+07' 698 127 698 177 c17669_2ldj 1 230 'spec=10dQnoesy, no=150, id=128, vol=2.970000e+06' 697 127 697 177 c17669_2ldj 1 231 'spec=10dQnoesy, no=152, id=130, vol=8.420000e+07' 700 127 700 177 c17669_2ldj 1 232 'spec=10dQnoesy, no=155, id=133, vol=6.200000e+06' 701 127 701 177 c17669_2ldj 1 233 'spec=10dQnoesy, no=156, id=134, vol=1.450000e+07' 702 127 702 177 c17669_2ldj 1 234 'spec=10dQnoesy, no=158, id=136, vol=9.360000e+06' 703 127 703 177 c17669_2ldj 1 235 'spec=10dQnoesy, no=160, id=138, vol=3.070000e+07' 705 127 705 177 c17669_2ldj 1 236 'spec=10dQnoesy, no=159, id=137, vol=1.160000e+07' 704 127 704 177 c17669_2ldj 1 237 'spec=10dQnoesy, no=161, id=139, vol=4.480000e+06' 707 127 707 177 c17669_2ldj 1 238 'spec=10dQnoesy, no=163, id=140, vol=2.600000e+06' 708 127 708 177 c17669_2ldj 1 239 'spec=10dQnoesy, no=165, id=142, vol=1.510000e+07' 709 127 709 177 c17669_2ldj 1 240 'spec=10dQnoesy, no=166, id=143, vol=8.030000e+06' 710 127 710 177 c17669_2ldj 1 241 'spec=10dQnoesy, no=174, id=148, vol=1.700000e+06' 711 127 711 177 c17669_2ldj 1 242 'spec=10dQnoesy, no=179, id=151, vol=7.177000e+00' 712 127 712 177 c17669_2ldj 1 243 'spec=10dQnoesy, no=184, id=154, vol=2.920000e+06' 714 127 714 177 c17669_2ldj 1 244 'spec=10dQnoesy, no=182, id=152, vol=6.690000e+06' 713 127 713 177 c17669_2ldj 1 245 'spec=10dQnoesy, no=190, id=159, vol=3.490000e+06' 716 127 716 177 c17669_2ldj 1 246 'spec=10dQnoesy, no=192, id=161, vol=9.910000e+06' 717 127 717 177 c17669_2ldj 1 247 'spec=10dQnoesy, no=194, id=163, vol=1.200000e+07' 718 127 718 177 c17669_2ldj 1 248 'spec=10dQnoesy, no=196, id=164, vol=1.480000e+07' 719 127 719 177 c17669_2ldj 1 249 'spec=10dQnoesy, no=199, id=167, vol=8.220000e+07' 720 127 720 177 c17669_2ldj 1 250 'spec=10dQnoesy, no=200, id=168, vol=1.110000e+07' 721 127 721 177 c17669_2ldj 1 251 'spec=10dQnoesy, no=201, id=169, vol=5.400000e+06' 722 127 722 177 c17669_2ldj 1 252 'spec=10dQnoesy, no=208, id=176, vol=2.020000e+07' 724 127 724 177 c17669_2ldj 1 253 'spec=10dQnoesy, no=202, id=170, vol=3.940000e+06' 723 127 723 177 c17669_2ldj 1 254 'spec=10dQnoesy, no=213, id=181, vol=7.850000e+06' 727 127 727 177 c17669_2ldj 1 255 'spec=10dQnoesy, no=214, id=182, vol=2.070000e+06' 739 127 739 177 c17669_2ldj 1 256 'spec=10dQnoesy, no=215, id=183, vol=5.740000e+06' 751 127 751 177 c17669_2ldj 1 257 'spec=10dQnoesy, no=217, id=185, vol=2.020000e+06' 763 127 763 177 c17669_2ldj 1 258 'spec=10dQnoesy, no=218, id=186, vol=1.210000e+07' 769 127 769 177 c17669_2ldj 1 259 'spec=10dQnoesy, no=219, id=187, vol=2.230000e+07' 775 127 775 177 c17669_2ldj 1 260 'spec=10dQnoesy, no=220, id=188, vol=5.840000e+06' 781 127 781 177 c17669_2ldj 1 261 'spec=10dQnoesy, no=221, id=189, vol=1.340000e+07' 787 127 787 177 c17669_2ldj 1 262 'spec=10dQnoesy, no=222, id=190, vol=2.250000e+07' 793 127 793 177 c17669_2ldj 1 263 'spec=10dQnoesy, no=223, id=191, vol=2.500000e+06' 799 127 799 177 c17669_2ldj 1 264 'spec=10dQnoesy, no=224, id=192, vol=8.680000e+05' 805 127 805 177 c17669_2ldj 1 265 'spec=10dQnoesy, no=225, id=193, vol=7.480000e+06' 811 127 811 177 c17669_2ldj 1 266 'spec=10dQnoesy, no=226, id=194, vol=1.430000e+06' 817 127 817 177 c17669_2ldj 1 267 'spec=10dQnoesy, no=233, id=201, vol=1.917000e+00' 823 127 823 177 c17669_2ldj 1 268 'spec=10dQnoesy, no=234, id=202, vol=1.320000e+07' 825 127 825 177 c17669_2ldj 1 269 'spec=10dQnoesy, no=236, id=203, vol=1.220000e+07' 826 127 826 177 c17669_2ldj 1 270 'spec=10dQnoesy, no=237, id=204, vol=4.640000e+06' 827 127 827 177 c17669_2ldj 1 271 'spec=10dQnoesy, no=238, id=205, vol=3.340000e+06' 828 127 828 177 c17669_2ldj 1 272 'spec=10dQnoesy, no=242, id=209, vol=2.310000e+06' 830 127 830 177 c17669_2ldj 1 273 'spec=10dQnoesy, no=240, id=207, vol=3.030000e+07' 829 127 829 177 c17669_2ldj 1 274 'spec=10dQnoesy, no=243, id=210, vol=6.900000e+06' 832 127 832 177 c17669_2ldj 1 275 'spec=10dQnoesy, no=245, id=212, vol=1.450000e+07' 834 127 834 177 c17669_2ldj 1 276 'spec=10dQnoesy, no=246, id=213, vol=2.040000e+07' 838 127 838 177 c17669_2ldj 1 277 'spec=10dQnoesy, no=248, id=215, vol=3.220000e+06' 840 127 840 177 c17669_2ldj 1 278 'spec=10dQnoesy, no=247, id=214, vol=6.290000e+06' 839 127 839 177 c17669_2ldj 1 279 'spec=10dQnoesy, no=250, id=217, vol=1.585000e+00' 842 128 842 178 c17669_2ldj 1 280 'spec=10dQnoesy, no=251, id=218, vol=6.880000e+06' 844 127 844 177 c17669_2ldj 1 281 'spec=10dQnoesy, no=253, id=220, vol=1.505000e+00' 845 127 845 177 c17669_2ldj 1 282 'spec=10dQnoesy, no=260, id=223, vol=6.720000e+06' 846 127 846 177 c17669_2ldj 1 283 'spec=10dQnoesy, no=261, id=224, vol=3.520000e+06' 847 127 847 177 c17669_2ldj 1 284 'spec=10dQnoesy, no=264, id=227, vol=6.010000e+06' 848 127 848 177 c17669_2ldj 1 285 'spec=10dQnoesy, no=265, id=228, vol=8.509000e+00' 849 127 849 177 c17669_2ldj 1 286 'spec=10dQnoesy, no=266, id=229, vol=6.360000e+06' 850 127 850 177 c17669_2ldj 1 287 'spec=10dQnoesy, no=267, id=230, vol=1.130000e+07' 851 127 851 177 c17669_2ldj 1 288 'spec=10dQnoesy, no=268, id=231, vol=7.830000e+06' 852 127 852 177 c17669_2ldj 1 289 'spec=10dQnoesy, no=269, id=232, vol=9.460000e+07' 853 127 853 177 c17669_2ldj 1 290 'spec=10dQnoesy, no=271, id=233, vol=1.530000e+07' 854 127 854 177 c17669_2ldj 1 291 'spec=10dQnoesy, no=272, id=234, vol=8.509000e+00' 855 127 855 177 c17669_2ldj 1 292 'spec=10dQnoesy, no=273, id=235, vol=3.250000e+07' 856 127 856 177 c17669_2ldj 1 293 'spec=10dQnoesy, no=276, id=238, vol=7.600000e+06' 857 127 857 177 c17669_2ldj 1 294 'spec=10dQnoesy, no=278, id=239, vol=1.220000e+06' 858 127 858 177 c17669_2ldj 1 295 'spec=10dQnoesy, no=280, id=240, vol=3.930000e+07' 859 127 859 177 c17669_2ldj 1 296 'spec=10dQnoesy, no=283, id=242, vol=9.740000e+05' 860 127 860 177 c17669_2ldj 1 297 'spec=10dQnoesy, no=285, id=243, vol=7.620000e+06' 861 127 861 177 c17669_2ldj 1 298 'spec=10dQnoesy, no=286, id=244, vol=3.480000e+06' 862 127 862 177 c17669_2ldj 1 299 'spec=10dQnoesy, no=287, id=245, vol=2.650000e+06' 863 127 863 177 c17669_2ldj 1 300 'spec=10dQnoesy, no=288, id=246, vol=7.630000e+07' 864 127 864 177 c17669_2ldj 1 301 'spec=10dQnoesy, no=291, id=248, vol=1.700000e+06' 865 127 865 177 c17669_2ldj 1 302 'spec=10dQnoesy, no=292, id=249, vol=1.020000e+07' 866 127 866 177 c17669_2ldj 1 303 'spec=10dQnoesy, no=295, id=252, vol=1.290000e+07' 868 127 868 177 c17669_2ldj 1 304 'spec=10dQnoesy, no=293, id=250, vol=9.180000e+07' 867 127 867 177 c17669_2ldj 1 305 'spec=10dQnoesy, no=296, id=253, vol=1.120000e+07' 870 127 870 177 c17669_2ldj 1 306 'spec=10dQnoesy, no=297, id=254, vol=2.240000e+06' 871 127 871 177 c17669_2ldj 1 307 'spec=10dQnoesy, no=298, id=255, vol=1.630000e+06' 872 127 872 177 c17669_2ldj 1 308 'spec=10dQnoesy, no=301, id=257, vol=5.670000e+07' 873 127 873 177 c17669_2ldj 1 309 'spec=10dQnoesy, no=303, id=259, vol=4.130000e+06' 874 127 874 177 c17669_2ldj 1 310 'spec=10dQnoesy, no=304, id=260, vol=8.370000e+06' 875 127 875 177 c17669_2ldj 1 311 'spec=10dQnoesy, no=306, id=262, vol=2.213000e+00' 876 127 876 177 c17669_2ldj 1 312 'spec=10dQnoesy, no=308, id=263, vol=4.680000e+06' 877 127 877 177 c17669_2ldj 1 313 'spec=10dQnoesy, no=309, id=264, vol=7.840000e+06' 878 127 878 177 c17669_2ldj 1 314 'spec=10dQnoesy, no=311, id=265, vol=1.620000e+07' 879 127 879 177 c17669_2ldj 1 315 'spec=10dQnoesy, no=312, id=266, vol=6.960000e+06' 880 127 880 177 c17669_2ldj 1 316 'spec=10dQnoesy, no=313, id=267, vol=6.190000e+07' 881 127 881 177 c17669_2ldj 1 317 'spec=10dQnoesy, no=314, id=268, vol=1.400000e+07' 882 127 882 177 c17669_2ldj 1 318 'spec=10dQnoesy, no=316, id=270, vol=5.530000e+06' 883 127 883 177 c17669_2ldj 1 319 'spec=10dQnoesy, no=320, id=274, vol=3.323000e+00' 884 127 884 177 c17669_2ldj 1 320 'spec=10dQnoesy, no=325, id=278, vol=2.450000e+06' 885 127 885 177 c17669_2ldj 1 321 'spec=10dQnoesy, no=326, id=279, vol=8.920000e+06' 886 127 886 177 c17669_2ldj 1 322 'spec=10dQnoesy, no=330, id=282, vol=3.140000e+06' 887 127 887 177 c17669_2ldj 1 323 'spec=10dQnoesy, no=332, id=284, vol=5.670000e+06' 888 127 888 177 c17669_2ldj 1 324 'spec=10dQnoesy, no=334, id=286, vol=4.140000e+06' 889 127 889 177 c17669_2ldj 1 325 'spec=10dQnoesy, no=335, id=287, vol=3.520000e+06' 890 127 890 177 c17669_2ldj 1 326 'spec=10dQnoesy, no=336, id=288, vol=3.060000e+06' 891 127 891 177 c17669_2ldj 1 327 'spec=10dQnoesy, no=337, id=289, vol=1.770000e+07' 892 127 892 177 c17669_2ldj 1 328 'spec=10dQnoesy, no=340, id=291, vol=1.470000e+06' 893 127 893 177 c17669_2ldj 1 329 'spec=10dQnoesy, no=344, id=295, vol=4.340000e+06' 894 127 894 177 c17669_2ldj 1 330 'spec=10dQnoesy, no=350, id=301, vol=3.786000e+00' 895 127 895 177 c17669_2ldj 1 331 'spec=10dQnoesy, no=352, id=303, vol=2.510000e+06' 896 127 896 177 c17669_2ldj 1 332 'spec=10dQnoesy, no=354, id=305, vol=1.450000e+07' 897 127 897 177 c17669_2ldj 1 333 'spec=10dQnoesy, no=356, id=307, vol=6.480000e+06' 898 127 898 177 c17669_2ldj 1 334 'spec=10dQnoesy, no=359, id=310, vol=1.810000e+07' 900 127 900 177 c17669_2ldj 1 335 'spec=10dQnoesy, no=357, id=308, vol=3.030000e+06' 899 127 899 177 c17669_2ldj 1 336 'spec=10dQnoesy, no=361, id=311, vol=5.890000e+06' 902 127 902 177 c17669_2ldj 1 337 'spec=10dQnoesy, no=362, id=312, vol=3.230000e+06' 903 127 903 177 c17669_2ldj 1 338 'spec=10dQnoesy, no=363, id=313, vol=1.800000e+06' 904 127 904 177 c17669_2ldj 1 339 'spec=10dQnoesy, no=364, id=314, vol=5.430000e+06' 905 127 905 177 c17669_2ldj 1 340 'spec=10dQnoesy, no=365, id=315, vol=6.730000e+06' 906 127 906 177 c17669_2ldj 1 341 'spec=10dQnoesy, no=366, id=316, vol=2.620000e+06' 907 127 907 177 c17669_2ldj 1 342 'spec=10dQnoesy, no=367, id=317, vol=1.900000e+07' 908 127 908 177 c17669_2ldj 1 343 'spec=10dQnoesy, no=368, id=318, vol=5.150000e+06' 909 127 909 177 c17669_2ldj 1 344 'spec=10dQnoesy, no=369, id=319, vol=8.480000e+05' 910 127 910 177 c17669_2ldj 1 345 'spec=10dQnoesy, no=371, id=320, vol=8.880000e+06' 911 127 911 177 c17669_2ldj 1 346 'spec=10dQnoesy, no=372, id=321, vol=2.890000e+07' 912 127 912 177 c17669_2ldj 1 347 'spec=10dQnoesy, no=375, id=323, vol=2.840000e+06' 913 127 913 177 c17669_2ldj 1 348 'spec=10dQnoesy, no=376, id=324, vol=5.890000e+06' 914 127 914 177 c17669_2ldj 1 349 'spec=10dQnoesy, no=377, id=325, vol=2.210000e+06' 915 127 915 177 c17669_2ldj 1 350 'spec=10dQnoesy, no=378, id=326, vol=1.440000e+07' 916 127 916 177 c17669_2ldj 1 351 'spec=10dQnoesy, no=381, id=328, vol=8.020000e+06' 917 127 917 177 c17669_2ldj 1 352 'spec=10dQnoesy, no=382, id=329, vol=1.670000e+06' 918 127 918 177 c17669_2ldj 1 353 'spec=10dQnoesy, no=388, id=334, vol=9.880000e+07' 920 127 920 177 c17669_2ldj 1 354 'spec=10dQnoesy, no=383, id=330, vol=1.880000e+07' 919 127 919 177 c17669_2ldj 1 355 'spec=10dQnoesy, no=389, id=335, vol=1.950000e+07' 922 127 922 177 c17669_2ldj 1 356 'spec=10dQnoesy, no=392, id=337, vol=8.160000e+06' 924 127 924 177 c17669_2ldj 1 357 'spec=10dQnoesy, no=390, id=336, vol=4.810000e+06' 923 127 923 177 c17669_2ldj 1 358 'spec=10dQnoesy, no=393, id=338, vol=6.880000e+06' 926 127 926 177 c17669_2ldj 1 359 'spec=10dQnoesy, no=395, id=339, vol=8.520000e+06' 927 127 927 177 c17669_2ldj 1 360 'spec=10dQnoesy, no=402, id=345, vol=1.170000e+07' 928 127 928 177 c17669_2ldj 1 361 'spec=10dQnoesy, no=404, id=347, vol=8.170000e+06' 930 127 930 177 c17669_2ldj 1 362 'spec=10dQnoesy, no=403, id=346, vol=7.720000e+04' 929 127 929 177 c17669_2ldj 1 363 'spec=10dQnoesy, no=405, id=348, vol=3.100000e+06' 932 127 932 177 c17669_2ldj 1 364 'spec=10dQnoesy, no=407, id=350, vol=8.790000e+06' 934 127 934 177 c17669_2ldj 1 365 'spec=10dQnoesy, no=410, id=352, vol=4.960000e+06' 938 127 938 177 c17669_2ldj 1 366 'spec=10dQnoesy, no=411, id=353, vol=3.430000e+06' 940 127 940 177 c17669_2ldj 1 367 'spec=10dQnoesy, no=413, id=355, vol=3.267000e+00' 942 127 942 177 c17669_2ldj 1 368 'spec=10dQnoesy, no=415, id=357, vol=2.440000e+06' 944 127 944 177 c17669_2ldj 1 369 'spec=10dQnoesy, no=416, id=358, vol=7.240000e+06' 946 127 946 177 c17669_2ldj 1 370 'spec=10dQnoesy, no=418, id=359, vol=4.840000e+06' 948 127 948 177 c17669_2ldj 1 371 'spec=10dQnoesy, no=419, id=360, vol=3.170000e+06' 950 127 950 177 c17669_2ldj 1 372 'spec=10dQnoesy, no=421, id=362, vol=1.500000e+07' 952 127 952 177 c17669_2ldj 1 373 'spec=10dQnoesy, no=423, id=364, vol=8.910000e+06' 954 127 954 177 c17669_2ldj 1 374 'spec=10dQnoesy, no=427, id=367, vol=4.740000e+06' 956 127 956 177 c17669_2ldj 1 375 'spec=10dQnoesy, no=430, id=370, vol=1.440000e+06' 958 127 958 177 c17669_2ldj 1 376 'spec=10dQnoesy, no=432, id=371, vol=8.670000e+05' 959 127 959 177 c17669_2ldj 1 377 'spec=10dQnoesy, no=433, id=372, vol=2.120000e+06' 960 127 960 177 c17669_2ldj 1 378 'spec=10dQnoesy, no=436, id=374, vol=2.310000e+07' 962 127 962 177 c17669_2ldj 1 379 'spec=10dQnoesy, no=435, id=373, vol=1.230000e+07' 961 127 961 177 c17669_2ldj 1 380 'spec=10dQnoesy, no=438, id=376, vol=1.630000e+07' 965 127 965 177 c17669_2ldj 1 381 'spec=10dQnoesy, no=437, id=375, vol=5.780000e+07' 964 127 964 177 c17669_2ldj 1 382 'spec=10dQnoesy, no=439, id=377, vol=1.290000e+06' 967 127 967 177 c17669_2ldj 1 383 'spec=10dQnoesy, no=445, id=383, vol=8.930000e+06' 970 127 970 177 c17669_2ldj 1 384 'spec=10dQnoesy, no=443, id=381, vol=2.890000e+06' 969 127 969 177 c17669_2ldj 1 385 'spec=10dQnoesy, no=447, id=384, vol=5.470000e+07' 972 127 972 177 c17669_2ldj 1 386 'spec=10dQnoesy, no=452, id=388, vol=4.990000e+06' 973 127 973 177 c17669_2ldj 1 387 'spec=10dQnoesy, no=453, id=389, vol=6.940000e+06' 974 127 974 177 c17669_2ldj 1 388 'spec=10dQnoesy, no=454, id=390, vol=2.510000e+07' 975 127 975 177 c17669_2ldj 1 389 'spec=10dQnoesy, no=455, id=391, vol=2.180000e+07' 976 127 976 177 c17669_2ldj 1 390 'spec=10dQnoesy, no=460, id=395, vol=2.140000e+06' 978 127 978 177 c17669_2ldj 1 391 'spec=10dQnoesy, no=458, id=394, vol=2.070000e+06' 977 127 977 177 c17669_2ldj 1 392 'spec=10dQnoesy, no=463, id=398, vol=2.130000e+07' 980 127 980 177 c17669_2ldj 1 393 'spec=10dQnoesy, no=467, id=402, vol=3.400000e+06' 982 127 982 177 c17669_2ldj 1 394 'spec=10dQnoesy, no=466, id=401, vol=6.860000e+06' 981 127 981 177 c17669_2ldj 1 395 'spec=10dQnoesy, no=469, id=404, vol=7.700000e+06' 984 127 984 177 c17669_2ldj 1 396 'spec=10dQnoesy, no=472, id=407, vol=5.350000e+06' 987 127 987 177 c17669_2ldj 1 397 'spec=10dQnoesy, no=471, id=406, vol=2.590000e+06' 986 127 986 177 c17669_2ldj 1 398 'spec=10dQnoesy, no=473, id=408, vol=1.080000e+07' 989 127 989 177 c17669_2ldj 1 399 'spec=10dQnoesy, no=477, id=412, vol=8.100000e+06' 991 127 991 177 c17669_2ldj 1 400 'spec=10dQnoesy, no=474, id=409, vol=5.620000e+07' 990 127 990 177 c17669_2ldj 1 401 'spec=10dQnoesy, no=485, id=419, vol=3.870000e+06' 994 127 994 177 c17669_2ldj 1 402 'spec=10dQnoesy, no=478, id=413, vol=3.450000e+06' 993 127 993 177 c17669_2ldj 1 403 'spec=10dQnoesy, no=488, id=422, vol=2.280000e+07' 996 127 996 177 c17669_2ldj 1 404 'spec=10dQnoesy, no=490, id=423, vol=1.560000e+07' 1000 127 1000 177 c17669_2ldj 1 405 'spec=10dQnoesy, no=493, id=425, vol=1.010000e+07' 1002 127 1002 177 c17669_2ldj 1 406 'spec=10dQnoesy, no=492, id=424, vol=2.050000e+07' 1001 127 1001 177 c17669_2ldj 1 407 'spec=10dQnoesy, no=495, id=427, vol=2.850000e+06' 1005 127 1005 177 c17669_2ldj 1 408 'spec=10dQnoesy, no=494, id=426, vol=5.450000e+07' 1004 127 1004 177 c17669_2ldj 1 409 'spec=10dQnoesy, no=500, id=432, vol=7.350000e+06' 1008 127 1008 177 c17669_2ldj 1 410 'spec=10dQnoesy, no=497, id=429, vol=1.930000e+07' 1007 127 1007 177 c17669_2ldj 1 411 'spec=10dQnoesy, no=501, id=433, vol=6.090000e+06' 1010 127 1010 177 c17669_2ldj 1 412 'spec=10dQnoesy, no=502, id=434, vol=4.900000e+06' 1012 127 1012 177 c17669_2ldj 1 413 'spec=10dQnoesy, no=507, id=439, vol=8.650000e+05' 1014 127 1014 177 c17669_2ldj 1 414 'spec=10dQnoesy, no=506, id=438, vol=6.210000e+07' 1013 127 1013 177 c17669_2ldj 1 415 'spec=10dQnoesy, no=508, id=440, vol=3.680000e+07' 1016 127 1016 177 c17669_2ldj 1 416 'spec=10dQnoesy, no=509, id=441, vol=3.000000e+06' 1020 127 1020 177 c17669_2ldj 1 417 'spec=10dQnoesy, no=513, id=445, vol=5.520000e+06' 1022 127 1022 177 c17669_2ldj 1 418 'spec=10dQnoesy, no=514, id=446, vol=2.070000e+06' 1024 127 1024 177 c17669_2ldj 1 419 'spec=10dQnoesy, no=517, id=449, vol=1.950000e+00' 1025 128 1025 178 c17669_2ldj 1 420 'spec=10dQnoesy, no=519, id=451, vol=7.240000e+06' 1027 127 1027 177 c17669_2ldj 1 421 'spec=10dQnoesy, no=518, id=450, vol=1.140000e+07' 1026 127 1026 177 c17669_2ldj 1 422 'spec=10dQnoesy, no=520, id=452, vol=1.810000e+07' 1029 127 1029 177 c17669_2ldj 1 423 'spec=10dQnoesy, no=522, id=454, vol=5.140000e+06' 1031 127 1031 177 c17669_2ldj 1 424 'spec=10dQnoesy, no=528, id=460, vol=1.400000e+07' 1034 127 1034 177 c17669_2ldj 1 425 'spec=10dQnoesy, no=527, id=459, vol=1.200000e+07' 1033 127 1033 177 c17669_2ldj 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 c17669_2ldj _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 DE NOVO PROTEIN 27-MAY-11 2LDJ *TITLE 1H CHEMICAL SHIFT ASSIGNMENTS AND STRUCTURE OF TRP-CAGE MINI-PROTEIN *TITLE 2 WITH D-AMINO ACID *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: TRP-CAGE MINI-PROTEIN; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES *KEYWDS COMPUTATIONAL PROTEIN DESIGN, D-AMINO ACID, DE NOVO PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 1 *AUTHOR A.R.GRANILLO, S.ANNAVARAPU, L.ZHANG, R.KODER, V.NANDA *REVDAT 1 18-JAN-12 2LDJ 1 *REVDAT 1 23-NOV-11 2LDJ 0' save_