data_18441 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of harmonin N terminal domain in complex with a exon68 encoded peptide of cadherin23 ; _BMRB_accession_number 18441 _BMRB_flat_file_name bmr18441.str _Entry_type original _Submission_date 2012-05-04 _Accession_date 2012-05-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pan Lifeng . . 2 Wu Lin . . 3 Zhang Chuchu . . 4 Zhang Mingjie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 587 "13C chemical shifts" 322 "15N chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-08 update BMRB 'update entry citation' 2012-08-13 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Large protein assemblies formed by multivalent interactions between cadherin23 and harmonin suggest a stable anchorage structure at the tip link of stereocilia.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22879593 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Lin . . 2 Pan Lifeng . . 3 Zhang Chuchu . . 4 Zhang Mingjie . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 287 _Journal_issue 40 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 33460 _Page_last 33471 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name harmonin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label harmonin $harmonin cadherin23 $cadherin23 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_harmonin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common harmonin _Molecular_mass 9567.188 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 80 _Mol_residue_sequence ; MDRKVAREFRHKVDFLIEND AEKDYLYDVLRMYHQTMDVA VLVGDLKLVINEPSRLPLFD AIRPLIPLKHQVEYDQLTPR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ASP 3 3 ARG 4 4 LYS 5 5 VAL 6 6 ALA 7 7 ARG 8 8 GLU 9 9 PHE 10 10 ARG 11 11 HIS 12 12 LYS 13 13 VAL 14 14 ASP 15 15 PHE 16 16 LEU 17 17 ILE 18 18 GLU 19 19 ASN 20 20 ASP 21 21 ALA 22 22 GLU 23 23 LYS 24 24 ASP 25 25 TYR 26 26 LEU 27 27 TYR 28 28 ASP 29 29 VAL 30 30 LEU 31 31 ARG 32 32 MET 33 33 TYR 34 34 HIS 35 35 GLN 36 36 THR 37 37 MET 38 38 ASP 39 39 VAL 40 40 ALA 41 41 VAL 42 42 LEU 43 43 VAL 44 44 GLY 45 45 ASP 46 46 LEU 47 47 LYS 48 48 LEU 49 49 VAL 50 50 ILE 51 51 ASN 52 52 GLU 53 53 PRO 54 54 SER 55 55 ARG 56 56 LEU 57 57 PRO 58 58 LEU 59 59 PHE 60 60 ASP 61 61 ALA 62 62 ILE 63 63 ARG 64 64 PRO 65 65 LEU 66 66 ILE 67 67 PRO 68 68 LEU 69 69 LYS 70 70 HIS 71 71 GLN 72 72 VAL 73 73 GLU 74 74 TYR 75 75 ASP 76 76 GLN 77 77 LEU 78 78 THR 79 79 PRO 80 80 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2KBQ "Solution Structure Of Harmonin N Terminal Domain" 100.00 80 100.00 100.00 6.29e-49 PDB 2KBR "Solution Structure Of Harmonin N Terminal Domain In Complex With A Internal Peptide Of Cadherin23" 100.00 80 100.00 100.00 6.29e-49 PDB 2LSR "Solution Structure Of Harmonin N Terminal Domain In Complex With A Exon68 Encoded Peptide Of Cadherin23" 100.00 80 100.00 100.00 6.29e-49 PDB 3K1R "Structure Of Harmonin Npdz1 In Complex With The Sam-Pbm Of Sans" 100.00 192 100.00 100.00 8.06e-49 DBJ BAA81739 "AIE-75 [Homo sapiens]" 61.25 521 100.00 100.00 6.56e-24 DBJ BAA81740 "autoimmune enteropathy-related antigen AIE-75 [Homo sapiens]" 100.00 552 100.00 100.00 9.43e-47 DBJ BAF83477 "unnamed protein product [Homo sapiens]" 100.00 552 100.00 100.00 1.06e-46 DBJ BAG62565 "unnamed protein product [Homo sapiens]" 62.50 484 100.00 100.00 1.55e-23 EMBL CAH92093 "hypothetical protein [Pongo abelii]" 100.00 552 98.75 98.75 1.02e-45 GB AAC18048 "antigen NY-CO-37 [Homo sapiens]" 100.00 403 100.00 100.00 7.25e-48 GB AAC18049 "antigen NY-CO-38 [Homo sapiens]" 100.00 652 100.00 100.00 2.11e-46 GB AAG12457 "harmonin isoform a1 [Mus musculus]" 100.00 548 98.75 100.00 1.98e-46 GB AAG12458 "harmonin isoform b3 [Mus musculus]" 100.00 910 98.75 100.00 4.60e-44 GB AAH10819 "Usher syndrome 1C homolog (human) [Mus musculus]" 100.00 548 98.75 100.00 1.98e-46 REF NP_001030459 "harmonin [Bos taurus]" 100.00 551 100.00 100.00 9.06e-47 REF NP_001126221 "harmonin [Pongo abelii]" 100.00 552 98.75 98.75 1.02e-45 REF NP_001157205 "harmonin isoform b4 [Mus musculus]" 100.00 891 98.75 100.00 5.12e-44 REF NP_001278111 "harmonin isoform b2 [Mus musculus]" 100.00 859 98.75 100.00 4.12e-45 REF NP_001284693 "harmonin isoform c [Homo sapiens]" 100.00 533 100.00 100.00 1.09e-46 SP Q3MHQ0 "RecName: Full=Harmonin; AltName: Full=Usher syndrome type-1C protein homolog" 100.00 551 100.00 100.00 9.06e-47 SP Q9ES64 "RecName: Full=Harmonin; AltName: Full=PDZ domain-containing protein; AltName: Full=Usher syndrome type-1C protein homolog" 100.00 910 98.75 100.00 4.60e-44 SP Q9Y6N9 "RecName: Full=Harmonin; AltName: Full=Antigen NY-CO-38/NY-CO-37; AltName: Full=Autoimmune enteropathy-related antigen AIE-75; A" 100.00 552 100.00 100.00 9.43e-47 TPG DAA00086 "TPA_exp: harmonin isoform b3 [Homo sapiens]" 100.00 899 100.00 100.00 2.38e-45 TPG DAA22239 "TPA: harmonin [Bos taurus]" 100.00 551 100.00 100.00 1.28e-46 stop_ save_ save_cadherin23 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common cadherin23 _Molecular_mass 1908.306 _Mol_thiol_state 'not present' _Details . _Residue_count 16 _Mol_residue_sequence GSLLKEVLEDYLRLKK loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 98 GLY 2 99 SER 3 100 LEU 4 101 LEU 5 102 LYS 6 103 GLU 7 104 VAL 8 105 LEU 9 106 GLU 10 107 ASP 11 108 TYR 12 109 LEU 13 110 ARG 14 111 LEU 15 112 LYS 16 113 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2013-12-02 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LSR "Solution Structure Of Harmonin N Terminal Domain In Complex With A Exon68 Encoded Peptide Of Cadherin23" 100.00 16 100.00 100.00 2.40e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $harmonin Human 9606 Eukaryota Metazoa Homo sapiens Ush1C $cadherin23 Human 9606 Eukaryota Metazoa Homo sapiens Ush1D stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $harmonin 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pET32a $cadherin23 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pET32a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '100 mM potassium phosphate,1 mM DTT, and 1 mM EDTA at pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $harmonin 0.6 mM '[U-99% 13C; U-99% 15N]' $cadherin23 0.6 mM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 100 mM 'natural abundance' DTT 1 mM 'natural abundance' EDTA 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 water H 1 protons ppm 4.72 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name harmonin _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ASP HA H 4.5300 . 1 2 2 2 ASP HB2 H 2.6230 . 2 3 2 2 ASP HB3 H 2.6570 . 1 4 2 2 ASP CA C 55.5900 . 1 5 2 2 ASP CB C 41.6930 . 1 6 3 3 ARG H H 8.3820 . 1 7 3 3 ARG HA H 4.2410 . 1 8 3 3 ARG HB2 H 1.8900 . 2 9 3 3 ARG HB3 H 1.8050 . 1 10 3 3 ARG HG2 H 1.5800 . 2 11 3 3 ARG HG3 H 1.6400 . 1 12 3 3 ARG HD2 H 3.1480 . 1 13 3 3 ARG HD3 H 3.1480 . 1 14 3 3 ARG CA C 57.6700 . 1 15 3 3 ARG CB C 30.5100 . 1 16 3 3 ARG CG C 28.1300 . 1 17 3 3 ARG CD C 43.9070 . 1 18 3 3 ARG N N 121.4980 . 1 19 4 4 LYS H H 8.2260 . 1 20 4 4 LYS HA H 4.0580 . 1 21 4 4 LYS HB2 H 1.8640 . 1 22 4 4 LYS HB3 H 1.8640 . 1 23 4 4 LYS HG2 H 1.4510 . 2 24 4 4 LYS HG3 H 1.3380 . 1 25 4 4 LYS HD2 H 1.6540 . 1 26 4 4 LYS HD3 H 1.6540 . 1 27 4 4 LYS HE2 H 2.9450 . 1 28 4 4 LYS HE3 H 2.9450 . 1 29 4 4 LYS CA C 59.7100 . 1 30 4 4 LYS CB C 33.2760 . 1 31 4 4 LYS CG C 25.7800 . 1 32 4 4 LYS CD C 30.1000 . 1 33 4 4 LYS CE C 42.5520 . 1 34 4 4 LYS N N 122.2570 . 1 35 5 5 VAL H H 8.1090 . 1 36 5 5 VAL HA H 3.7210 . 1 37 5 5 VAL HB H 2.0520 . 1 38 5 5 VAL HG1 H 0.9880 . 1 39 5 5 VAL HG2 H 0.8730 . 1 40 5 5 VAL CA C 66.6500 . 1 41 5 5 VAL CB C 32.0740 . 1 42 5 5 VAL CG1 C 23.1900 . 2 43 5 5 VAL CG2 C 22.2800 . 2 44 5 5 VAL N N 120.4940 . 1 45 6 6 ALA H H 8.3740 . 1 46 6 6 ALA HA H 4.0350 . 1 47 6 6 ALA HB H 1.4380 . 1 48 6 6 ALA CA C 55.8900 . 1 49 6 6 ALA CB C 19.2600 . 1 50 6 6 ALA N N 123.1490 . 1 51 7 7 ARG H H 7.9920 . 1 52 7 7 ARG HA H 4.0010 . 1 53 7 7 ARG HB2 H 1.9060 . 2 54 7 7 ARG HB3 H 1.8550 . 1 55 7 7 ARG HG2 H 1.6300 . 2 56 7 7 ARG HG3 H 1.5140 . 1 57 7 7 ARG HD2 H 3.1920 . 1 58 7 7 ARG HD3 H 3.1920 . 1 59 7 7 ARG CA C 59.7700 . 1 60 7 7 ARG CB C 30.7700 . 1 61 7 7 ARG CG C 28.1200 . 1 62 7 7 ARG CD C 43.9410 . 1 63 7 7 ARG N N 119.5870 . 1 64 8 8 GLU H H 8.1650 . 1 65 8 8 GLU HA H 4.0580 . 1 66 8 8 GLU HB2 H 2.0780 . 2 67 8 8 GLU HB3 H 2.1660 . 1 68 8 8 GLU HG2 H 2.4370 . 2 69 8 8 GLU HG3 H 2.3020 . 1 70 8 8 GLU CA C 59.7700 . 1 71 8 8 GLU CB C 29.9500 . 1 72 8 8 GLU CG C 37.3920 . 1 73 8 8 GLU N N 119.7450 . 1 74 9 9 PHE H H 8.1800 . 1 75 9 9 PHE HA H 4.1270 . 1 76 9 9 PHE HB2 H 3.1850 . 1 77 9 9 PHE HB3 H 3.1850 . 1 78 9 9 PHE HD1 H 7.1110 . 1 79 9 9 PHE HD2 H 7.1110 . 1 80 9 9 PHE HE1 H 6.7210 . 1 81 9 9 PHE HE2 H 6.7210 . 1 82 9 9 PHE HZ H 6.4900 . 1 83 9 9 PHE CA C 63.0200 . 1 84 9 9 PHE CB C 39.6230 . 1 85 9 9 PHE N N 121.4360 . 1 86 10 10 ARG H H 7.9100 . 1 87 10 10 ARG HA H 3.8610 . 1 88 10 10 ARG HB2 H 2.0640 . 2 89 10 10 ARG HB3 H 1.9700 . 1 90 10 10 ARG HG2 H 1.7880 . 1 91 10 10 ARG HG3 H 1.7880 . 1 92 10 10 ARG HD2 H 3.3480 . 2 93 10 10 ARG HD3 H 3.2490 . 1 94 10 10 ARG CA C 59.5800 . 1 95 10 10 ARG CB C 30.3200 . 1 96 10 10 ARG CG C 27.8500 . 1 97 10 10 ARG CD C 43.9410 . 1 98 10 10 ARG N N 119.0280 . 1 99 11 11 HIS H H 8.0010 . 1 100 11 11 HIS HA H 4.4560 . 1 101 11 11 HIS HB2 H 3.2710 . 2 102 11 11 HIS HB3 H 3.1900 . 1 103 11 11 HIS HD2 H 7.0770 . 1 104 11 11 HIS CA C 59.1800 . 1 105 11 11 HIS CB C 30.0300 . 1 106 11 11 HIS N N 116.5630 . 1 107 12 12 LYS H H 7.7960 . 1 108 12 12 LYS HA H 4.0080 . 1 109 12 12 LYS HB2 H 1.5750 . 2 110 12 12 LYS HB3 H 1.8710 . 1 111 12 12 LYS HG2 H 1.6430 . 2 112 12 12 LYS HG3 H 1.4180 . 1 113 12 12 LYS HD2 H 1.6630 . 1 114 12 12 LYS HD3 H 1.6630 . 1 115 12 12 LYS HE2 H 2.9470 . 1 116 12 12 LYS HE3 H 2.9470 . 1 117 12 12 LYS CA C 59.9800 . 1 118 12 12 LYS CB C 32.6930 . 1 119 12 12 LYS CG C 26.1700 . 1 120 12 12 LYS CD C 29.9700 . 1 121 12 12 LYS CE C 42.6230 . 1 122 12 12 LYS N N 120.7730 . 1 123 13 13 VAL H H 7.8210 . 1 124 13 13 VAL HA H 3.1110 . 1 125 13 13 VAL HB H 1.9720 . 1 126 13 13 VAL HG1 H 0.1660 . 1 127 13 13 VAL HG2 H 0.7800 . 1 128 13 13 VAL CA C 68.1800 . 1 129 13 13 VAL CB C 32.1400 . 1 130 13 13 VAL CG1 C 24.3400 . 2 131 13 13 VAL CG2 C 22.5300 . 2 132 13 13 VAL N N 120.1250 . 1 133 14 14 ASP H H 8.2760 . 1 134 14 14 ASP HA H 4.2620 . 1 135 14 14 ASP HB2 H 2.7350 . 2 136 14 14 ASP HB3 H 2.6040 . 1 137 14 14 ASP CA C 57.4000 . 1 138 14 14 ASP CB C 41.3140 . 1 139 14 14 ASP N N 117.4620 . 1 140 15 15 PHE H H 7.6640 . 1 141 15 15 PHE HA H 4.3620 . 1 142 15 15 PHE HB2 H 3.0260 . 2 143 15 15 PHE HB3 H 3.1730 . 1 144 15 15 PHE HD1 H 7.1470 . 1 145 15 15 PHE HD2 H 7.1470 . 1 146 15 15 PHE HE1 H 7.1920 . 1 147 15 15 PHE HE2 H 7.1920 . 1 148 15 15 PHE HZ H 7.3280 . 1 149 15 15 PHE CA C 60.1900 . 1 150 15 15 PHE CB C 40.6980 . 1 151 15 15 PHE N N 117.9140 . 1 152 16 16 LEU H H 7.6580 . 1 153 16 16 LEU HA H 4.2340 . 1 154 16 16 LEU HB2 H 1.3050 . 2 155 16 16 LEU HB3 H 1.7250 . 1 156 16 16 LEU HG H 1.9500 . 1 157 16 16 LEU HD1 H 0.8230 . 1 158 16 16 LEU HD2 H 0.9270 . 1 159 16 16 LEU CA C 56.4200 . 1 160 16 16 LEU CB C 45.0780 . 1 161 16 16 LEU CG C 27.9700 . 1 162 16 16 LEU CD1 C 26.5400 . 2 163 16 16 LEU CD2 C 23.6600 . 2 164 16 16 LEU N N 116.7370 . 1 165 17 17 ILE H H 8.3360 . 1 166 17 17 ILE HA H 4.1080 . 1 167 17 17 ILE HB H 1.9380 . 1 168 17 17 ILE HG12 H 1.3140 . 2 169 17 17 ILE HG13 H 0.9240 . 1 170 17 17 ILE HG2 H 0.8090 . 1 171 17 17 ILE HD1 H 0.6040 . 1 172 17 17 ILE CA C 60.5400 . 1 173 17 17 ILE CB C 38.3570 . 1 174 17 17 ILE CG1 C 27.5800 . 1 175 17 17 ILE CG2 C 20.0400 . 1 176 17 17 ILE CD1 C 13.2600 . 1 177 17 17 ILE N N 120.5330 . 1 178 18 18 GLU H H 8.2760 . 1 179 18 18 GLU HA H 4.2100 . 1 180 18 18 GLU HB2 H 2.0150 . 2 181 18 18 GLU HB3 H 1.9250 . 1 182 18 18 GLU HG2 H 2.1760 . 1 183 18 18 GLU HG3 H 2.1760 . 1 184 18 18 GLU CA C 58.6000 . 1 185 18 18 GLU CB C 31.0100 . 1 186 18 18 GLU CG C 37.0870 . 1 187 18 18 GLU N N 124.5310 . 1 188 19 19 ASN H H 7.7000 . 1 189 19 19 ASN HA H 4.8050 . 1 190 19 19 ASN HB2 H 2.8520 . 1 191 19 19 ASN HB3 H 2.8520 . 1 192 19 19 ASN HD21 H 7.8230 . 2 193 19 19 ASN HD22 H 7.2780 . 2 194 19 19 ASN CA C 53.7380 . 1 195 19 19 ASN CB C 41.1780 . 1 196 19 19 ASN N N 117.6300 . 1 197 19 19 ASN ND2 N 115.1760 . 1 198 20 20 ASP H H 8.9980 . 1 199 20 20 ASP HA H 4.2490 . 1 200 20 20 ASP HB2 H 2.5950 . 2 201 20 20 ASP HB3 H 2.7730 . 1 202 20 20 ASP CA C 58.8500 . 1 203 20 20 ASP CB C 41.3140 . 1 204 20 20 ASP N N 127.4280 . 1 205 21 21 ALA H H 8.3460 . 1 206 21 21 ALA HA H 4.2600 . 1 207 21 21 ALA HB H 1.4610 . 1 208 21 21 ALA CA C 56.0000 . 1 209 21 21 ALA CB C 18.6500 . 1 210 21 21 ALA N N 122.2710 . 1 211 22 22 GLU H H 7.7240 . 1 212 22 22 GLU HA H 4.1140 . 1 213 22 22 GLU HB2 H 1.8930 . 2 214 22 22 GLU HB3 H 2.1680 . 1 215 22 22 GLU HG2 H 2.0960 . 2 216 22 22 GLU HG3 H 2.4090 . 1 217 22 22 GLU CA C 60.3600 . 1 218 22 22 GLU CB C 31.7720 . 1 219 22 22 GLU CG C 39.3230 . 1 220 22 22 GLU N N 118.7160 . 1 221 23 23 LYS H H 7.6180 . 1 222 23 23 LYS HA H 3.8110 . 1 223 23 23 LYS HB2 H 1.8650 . 2 224 23 23 LYS HB3 H 2.1120 . 1 225 23 23 LYS HG2 H 1.5830 . 2 226 23 23 LYS HG3 H 1.2630 . 1 227 23 23 LYS HD2 H 1.8430 . 2 228 23 23 LYS HD3 H 1.9850 . 1 229 23 23 LYS HE2 H 2.9740 . 1 230 23 23 LYS HE3 H 2.9740 . 1 231 23 23 LYS CA C 61.6700 . 1 232 23 23 LYS CB C 33.0700 . 1 233 23 23 LYS CG C 27.4200 . 1 234 23 23 LYS CD C 30.4900 . 1 235 23 23 LYS CE C 43.0080 . 1 236 23 23 LYS N N 121.0880 . 1 237 24 24 ASP H H 8.4240 . 1 238 24 24 ASP HA H 4.4890 . 1 239 24 24 ASP HB2 H 2.8460 . 2 240 24 24 ASP HB3 H 2.7790 . 1 241 24 24 ASP CA C 58.5100 . 1 242 24 24 ASP CB C 40.8370 . 1 243 24 24 ASP N N 119.0100 . 1 244 25 25 TYR H H 7.6760 . 1 245 25 25 TYR HA H 4.2430 . 1 246 25 25 TYR HB2 H 3.1610 . 1 247 25 25 TYR HB3 H 3.1610 . 1 248 25 25 TYR HD1 H 6.9920 . 1 249 25 25 TYR HD2 H 6.9920 . 1 250 25 25 TYR HE1 H 6.6800 . 1 251 25 25 TYR HE2 H 6.6800 . 1 252 25 25 TYR CA C 62.1900 . 1 253 25 25 TYR CB C 38.4990 . 1 254 25 25 TYR N N 120.4170 . 1 255 26 26 LEU H H 7.9650 . 1 256 26 26 LEU HA H 3.6010 . 1 257 26 26 LEU HB2 H 2.0740 . 2 258 26 26 LEU HB3 H 1.4570 . 1 259 26 26 LEU HG H 1.2200 . 1 260 26 26 LEU HD1 H 0.5700 . 1 261 26 26 LEU HD2 H 0.6410 . 1 262 26 26 LEU CA C 59.4400 . 1 263 26 26 LEU CB C 42.1510 . 1 264 26 26 LEU CG C 28.1000 . 1 265 26 26 LEU CD1 C 27.4200 . 2 266 26 26 LEU CD2 C 26.0000 . 2 267 26 26 LEU N N 120.9600 . 1 268 27 27 TYR H H 8.0970 . 1 269 27 27 TYR HA H 3.7760 . 1 270 27 27 TYR HB2 H 2.3740 . 2 271 27 27 TYR HB3 H 2.3000 . 1 272 27 27 TYR HD1 H 6.4930 . 1 273 27 27 TYR HD2 H 6.4930 . 1 274 27 27 TYR HE1 H 6.7840 . 1 275 27 27 TYR HE2 H 6.7840 . 1 276 27 27 TYR CA C 64.4100 . 1 277 27 27 TYR CB C 38.4030 . 1 278 27 27 TYR N N 116.5210 . 1 279 28 28 ASP H H 8.3550 . 1 280 28 28 ASP HA H 4.4760 . 1 281 28 28 ASP HB2 H 2.8740 . 2 282 28 28 ASP HB3 H 2.5670 . 1 283 28 28 ASP CA C 58.5400 . 1 284 28 28 ASP CB C 41.3940 . 1 285 28 28 ASP N N 123.3840 . 1 286 29 29 VAL H H 8.2520 . 1 287 29 29 VAL HA H 3.7130 . 1 288 29 29 VAL HB H 2.1810 . 1 289 29 29 VAL HG1 H 0.7840 . 1 290 29 29 VAL HG2 H 0.5430 . 1 291 29 29 VAL CA C 66.6500 . 1 292 29 29 VAL CB C 31.9180 . 1 293 29 29 VAL CG1 C 23.4400 . 2 294 29 29 VAL CG2 C 23.3300 . 2 295 29 29 VAL N N 121.2720 . 1 296 30 30 LEU H H 7.9870 . 1 297 30 30 LEU HA H 4.0430 . 1 298 30 30 LEU HB2 H 1.2210 . 2 299 30 30 LEU HB3 H 1.9930 . 1 300 30 30 LEU HG H 1.7140 . 1 301 30 30 LEU HD1 H 0.4020 . 1 302 30 30 LEU HD2 H 0.6320 . 1 303 30 30 LEU CA C 58.8800 . 1 304 30 30 LEU CB C 42.2810 . 1 305 30 30 LEU CG C 27.2600 . 1 306 30 30 LEU CD1 C 26.1200 . 2 307 30 30 LEU CD2 C 22.6300 . 2 308 30 30 LEU N N 122.4430 . 1 309 31 31 ARG H H 8.6370 . 1 310 31 31 ARG HA H 4.0160 . 1 311 31 31 ARG HB2 H 2.0130 . 2 312 31 31 ARG HB3 H 2.2400 . 1 313 31 31 ARG HG2 H 1.6310 . 2 314 31 31 ARG HG3 H 1.7640 . 1 315 31 31 ARG HD2 H 3.3470 . 2 316 31 31 ARG HD3 H 3.2490 . 1 317 31 31 ARG CA C 60.3800 . 1 318 31 31 ARG CB C 30.4000 . 1 319 31 31 ARG CG C 28.1900 . 1 320 31 31 ARG CD C 43.9640 . 1 321 31 31 ARG N N 122.3860 . 1 322 32 32 MET H H 8.3270 . 1 323 32 32 MET HA H 4.3590 . 1 324 32 32 MET HB2 H 2.2090 . 1 325 32 32 MET HB3 H 2.2090 . 1 326 32 32 MET HG2 H 2.6400 . 2 327 32 32 MET HG3 H 2.7060 . 1 328 32 32 MET HE H 2.0480 . 1 329 32 32 MET CA C 58.4900 . 1 330 32 32 MET CB C 31.6770 . 1 331 32 32 MET CG C 32.8380 . 1 332 32 32 MET CE C 17.270 . 1 333 32 32 MET N N 120.0060 . 1 334 33 33 TYR H H 8.0540 . 1 335 33 33 TYR HA H 4.7240 . 1 336 33 33 TYR HB2 H 3.2280 . 2 337 33 33 TYR HB3 H 3.0030 . 1 338 33 33 TYR HD1 H 6.8360 . 1 339 33 33 TYR HD2 H 6.8360 . 1 340 33 33 TYR HE1 H 6.4170 . 1 341 33 33 TYR HE2 H 6.4170 . 1 342 33 33 TYR CA C 61.0000 . 1 343 33 33 TYR CB C 39.6870 . 1 344 33 33 TYR N N 123.2200 . 1 345 34 34 HIS H H 8.5480 . 1 346 34 34 HIS HA H 3.7760 . 1 347 34 34 HIS HB2 H 2.9450 . 2 348 34 34 HIS HB3 H 3.3330 . 1 349 34 34 HIS CA C 60.7100 . 1 350 34 34 HIS CB C 31.3920 . 1 351 34 34 HIS N N 120.8600 . 1 352 35 35 GLN H H 7.5420 . 1 353 35 35 GLN HA H 4.0000 . 1 354 35 35 GLN HB2 H 2.2790 . 2 355 35 35 GLN HB3 H 2.2000 . 1 356 35 35 GLN HG2 H 2.5170 . 2 357 35 35 GLN HG3 H 2.3670 . 1 358 35 35 GLN HE21 H 7.3710 . 2 359 35 35 GLN HE22 H 6.8330 . 2 360 35 35 GLN CA C 58.6800 . 1 361 35 35 GLN CB C 30.5500 . 1 362 35 35 GLN CG C 34.8880 . 1 363 35 35 GLN N N 113.5820 . 1 364 35 35 GLN NE2 N 111.9330 . 1 365 36 36 THR H H 8.5690 . 1 366 36 36 THR HA H 4.2140 . 1 367 36 36 THR HB H 4.2500 . 1 368 36 36 THR HG2 H 1.3220 . 1 369 36 36 THR CA C 63.9800 . 1 370 36 36 THR CB C 71.6700 . 1 371 36 36 THR CG2 C 22.1800 . 1 372 36 36 THR N N 111.1170 . 1 373 37 37 MET H H 9.5420 . 1 374 37 37 MET HA H 3.7400 . 1 375 37 37 MET HB2 H 2.1310 . 1 376 37 37 MET HB3 H 2.1310 . 1 377 37 37 MET HG2 H 1.9590 . 2 378 37 37 MET HG3 H 2.6010 . 1 379 37 37 MET HE H 1.6800 . 1 380 37 37 MET CA C 56.4300 . 1 381 37 37 MET CB C 31.3990 . 1 382 37 37 MET CG C 33.7240 . 1 383 37 37 MET CE C 18.9400 . 1 384 37 37 MET N N 120.4440 . 1 385 38 38 ASP H H 7.4560 . 1 386 38 38 ASP HA H 4.9440 . 1 387 38 38 ASP HB2 H 3.0420 . 2 388 38 38 ASP HB3 H 2.2510 . 1 389 38 38 ASP CA C 53.4760 . 1 390 38 38 ASP CB C 42.0400 . 1 391 38 38 ASP N N 117.0200 . 1 392 39 39 VAL H H 8.4250 . 1 393 39 39 VAL HA H 3.8310 . 1 394 39 39 VAL HB H 1.8080 . 1 395 39 39 VAL HG1 H 0.9690 . 1 396 39 39 VAL HG2 H 0.7420 . 1 397 39 39 VAL CA C 64.8400 . 1 398 39 39 VAL CB C 32.7000 . 1 399 39 39 VAL CG1 C 23.9100 . 2 400 39 39 VAL CG2 C 20.8200 . 2 401 39 39 VAL N N 128.5070 . 1 402 40 40 ALA H H 7.9980 . 1 403 40 40 ALA HA H 3.9870 . 1 404 40 40 ALA HB H 1.4280 . 1 405 40 40 ALA CA C 55.8600 . 1 406 40 40 ALA CB C 18.4700 . 1 407 40 40 ALA N N 125.6210 . 1 408 41 41 VAL H H 7.6630 . 1 409 41 41 VAL HA H 3.5710 . 1 410 41 41 VAL HB H 1.7660 . 1 411 41 41 VAL HG1 H 0.9230 . 1 412 41 41 VAL HG2 H 0.9100 . 1 413 41 41 VAL CA C 66.6800 . 1 414 41 41 VAL CB C 32.7020 . 1 415 41 41 VAL CG1 C 24.1600 . 2 416 41 41 VAL CG2 C 22.2600 . 2 417 41 41 VAL N N 122.1320 . 1 418 42 42 LEU H H 7.3610 . 1 419 42 42 LEU HA H 4.2600 . 1 420 42 42 LEU HB2 H 1.3170 . 2 421 42 42 LEU HB3 H 1.9430 . 1 422 42 42 LEU HG H 1.2150 . 1 423 42 42 LEU HD1 H 0.1260 . 1 424 42 42 LEU HD2 H 0.6540 . 1 425 42 42 LEU CA C 58.9900 . 1 426 42 42 LEU CB C 40.7050 . 1 427 42 42 LEU CG C 28.0200 . 1 428 42 42 LEU CD1 C 25.8100 . 2 429 42 42 LEU CD2 C 23.9700 . 2 430 42 42 LEU N N 120.1900 . 1 431 43 43 VAL H H 8.0620 . 1 432 43 43 VAL HA H 3.4170 . 1 433 43 43 VAL HB H 1.9260 . 1 434 43 43 VAL HG1 H 0.7330 . 1 435 43 43 VAL HG2 H 0.9190 . 1 436 43 43 VAL CA C 68.7800 . 1 437 43 43 VAL CB C 31.9800 . 1 438 43 43 VAL CG1 C 22.6700 . 2 439 43 43 VAL CG2 C 24.8200 . 2 440 43 43 VAL N N 116.8020 . 1 441 44 44 GLY H H 7.9010 . 1 442 44 44 GLY HA2 H 3.9460 . 2 443 44 44 GLY HA3 H 3.7280 . 1 444 44 44 GLY CA C 48.3160 . 1 445 44 44 GLY N N 106.2420 . 1 446 45 45 ASP H H 8.6800 . 1 447 45 45 ASP HA H 4.6650 . 1 448 45 45 ASP HB2 H 2.6550 . 2 449 45 45 ASP HB3 H 2.8640 . 1 450 45 45 ASP CA C 57.7600 . 1 451 45 45 ASP CB C 40.8680 . 1 452 45 45 ASP N N 123.3590 . 1 453 46 46 LEU H H 9.0180 . 1 454 46 46 LEU HA H 4.0660 . 1 455 46 46 LEU HB2 H 1.2110 . 2 456 46 46 LEU HB3 H 2.3230 . 1 457 46 46 LEU HG H 2.1110 . 1 458 46 46 LEU HD1 H 0.6050 . 1 459 46 46 LEU HD2 H 0.9040 . 1 460 46 46 LEU CA C 58.1200 . 1 461 46 46 LEU CB C 42.9990 . 1 462 46 46 LEU CG C 26.8700 . 1 463 46 46 LEU CD1 C 23.3800 . 2 464 46 46 LEU CD2 C 27.3400 . 2 465 46 46 LEU N N 123.2010 . 1 466 47 47 LYS H H 8.0170 . 1 467 47 47 LYS HA H 3.9700 . 1 468 47 47 LYS HB2 H 2.0010 . 1 469 47 47 LYS HB3 H 2.0010 . 1 470 47 47 LYS HG2 H 2.0230 . 2 471 47 47 LYS HG3 H 1.5500 . 1 472 47 47 LYS HD2 H 1.7280 . 1 473 47 47 LYS HD3 H 1.7280 . 1 474 47 47 LYS HE2 H 2.9000 . 2 475 47 47 LYS HE3 H 2.8220 . 1 476 47 47 LYS CA C 60.2900 . 1 477 47 47 LYS CB C 33.1410 . 1 478 47 47 LYS CG C 27.5300 . 1 479 47 47 LYS CD C 30.4100 . 1 480 47 47 LYS CE C 42.5120 . 1 481 47 47 LYS N N 119.1960 . 1 482 48 48 LEU H H 7.1430 . 1 483 48 48 LEU HA H 4.1610 . 1 484 48 48 LEU HB2 H 1.8370 . 2 485 48 48 LEU HB3 H 1.4900 . 1 486 48 48 LEU HG H 1.7420 . 1 487 48 48 LEU HD1 H 0.7050 . 1 488 48 48 LEU HD2 H 0.9530 . 1 489 48 48 LEU CA C 57.6700 . 1 490 48 48 LEU CB C 42.1600 . 1 491 48 48 LEU CG C 28.1500 . 1 492 48 48 LEU CD1 C 23.8900 . 2 493 48 48 LEU CD2 C 25.3500 . 2 494 48 48 LEU N N 116.3580 . 1 495 49 49 VAL H H 7.2660 . 1 496 49 49 VAL HA H 4.4730 . 1 497 49 49 VAL HB H 2.0210 . 1 498 49 49 VAL HG1 H 1.0100 . 1 499 49 49 VAL HG2 H 1.0460 . 1 500 49 49 VAL CA C 62.0600 . 1 501 49 49 VAL CB C 35.1660 . 1 502 49 49 VAL CG1 C 21.6900 . 2 503 49 49 VAL CG2 C 22.6800 . 2 504 49 49 VAL N N 112.6620 . 1 505 50 50 ILE H H 8.4750 . 1 506 50 50 ILE HA H 3.8450 . 1 507 50 50 ILE HB H 1.5130 . 1 508 50 50 ILE HG12 H 1.3480 . 2 509 50 50 ILE HG13 H 0.4920 . 1 510 50 50 ILE HG2 H 0.4890 . 1 511 50 50 ILE HD1 H -0.1180 . 1 512 50 50 ILE CA C 61.5900 . 1 513 50 50 ILE CB C 35.1610 . 1 514 50 50 ILE CG1 C 27.6200 . 1 515 50 50 ILE CG2 C 20.3000 . 1 516 50 50 ILE CD1 C 14.1800 . 1 517 50 50 ILE N N 124.6310 . 1 518 51 51 ASN H H 7.3470 . 1 519 51 51 ASN HA H 4.7070 . 1 520 51 51 ASN HB2 H 3.1100 . 2 521 51 51 ASN HB3 H 2.5200 . 1 522 51 51 ASN HD21 H 6.7500 . 2 523 51 51 ASN HD22 H 7.1070 . 2 524 51 51 ASN CA C 53.4480 . 1 525 51 51 ASN CB C 38.9610 . 1 526 51 51 ASN N N 119.0270 . 1 527 51 51 ASN ND2 N 109.7160 . 1 528 52 52 GLU H H 7.4380 . 1 529 52 52 GLU HA H 4.8880 . 1 530 52 52 GLU HB2 H 2.2230 . 2 531 52 52 GLU HB3 H 2.0020 . 1 532 52 52 GLU HG2 H 2.2220 . 2 533 52 52 GLU HG3 H 2.1640 . 1 534 52 52 GLU CA C 54.7850 . 1 535 52 52 GLU CB C 31.0200 . 1 536 52 52 GLU CG C 35.5740 . 1 537 52 52 GLU N N 115.8890 . 1 538 53 53 PRO HA H 4.2100 . 1 539 53 53 PRO HB2 H 2.4350 . 2 540 53 53 PRO HB3 H 2.0200 . 1 541 53 53 PRO HG2 H 2.0400 . 2 542 53 53 PRO HG3 H 2.2140 . 1 543 53 53 PRO HD2 H 3.9120 . 1 544 53 53 PRO HD3 H 3.9120 . 1 545 53 53 PRO CA C 66.9600 . 1 546 53 53 PRO CB C 32.9480 . 1 547 53 53 PRO CG C 28.3200 . 1 548 53 53 PRO CD C 51.5840 . 1 549 54 54 SER H H 8.9460 . 1 550 54 54 SER HA H 4.1730 . 1 551 54 54 SER HB2 H 3.9430 . 1 552 54 54 SER HB3 H 3.9430 . 1 553 54 54 SER CA C 61.6500 . 1 554 54 54 SER CB C 62.9300 . 1 555 54 54 SER N N 113.7110 . 1 556 55 55 ARG H H 7.7590 . 1 557 55 55 ARG HA H 4.4040 . 1 558 55 55 ARG HB2 H 1.7740 . 2 559 55 55 ARG HB3 H 1.9770 . 1 560 55 55 ARG HG2 H 1.5770 . 2 561 55 55 ARG HG3 H 1.9740 . 1 562 55 55 ARG HD2 H 3.2010 . 2 563 55 55 ARG HD3 H 3.2470 . 1 564 55 55 ARG CA C 57.3100 . 1 565 55 55 ARG CB C 33.6120 . 1 566 55 55 ARG CG C 29.0100 . 1 567 55 55 ARG CD C 45.7730 . 1 568 55 55 ARG N N 116.4550 . 1 569 56 56 LEU H H 7.4720 . 1 570 56 56 LEU HA H 4.1350 . 1 571 56 56 LEU HB2 H 1.5760 . 2 572 56 56 LEU HB3 H 2.1110 . 1 573 56 56 LEU HG H 1.9380 . 1 574 56 56 LEU HD1 H 0.9870 . 1 575 56 56 LEU HD2 H 1.0250 . 1 576 56 56 LEU CA C 59.9000 . 1 577 56 56 LEU CB C 40.9970 . 1 578 56 56 LEU CG C 27.8600 . 1 579 56 56 LEU CD1 C 23.8200 . 2 580 56 56 LEU CD2 C 26.0400 . 2 581 56 56 LEU N N 121.4680 . 1 582 57 57 PRO HA H 4.6960 . 1 583 57 57 PRO HB2 H 2.6330 . 2 584 57 57 PRO HB3 H 1.5340 . 1 585 57 57 PRO HG2 H 2.1430 . 2 586 57 57 PRO HG3 H 2.0000 . 1 587 57 57 PRO HD2 H 3.7410 . 2 588 57 57 PRO HD3 H 3.3830 . 1 589 57 57 PRO CA C 66.1800 . 1 590 57 57 PRO CB C 32.3900 . 1 591 57 57 PRO CG C 29.2500 . 1 592 57 57 PRO CD C 52.6020 . 1 593 58 58 LEU H H 8.7340 . 1 594 58 58 LEU HA H 4.0500 . 1 595 58 58 LEU HB2 H 1.7430 . 2 596 58 58 LEU HB3 H 1.2480 . 1 597 58 58 LEU HG H 1.6910 . 1 598 58 58 LEU HD1 H 0.7960 . 1 599 58 58 LEU HD2 H 0.6150 . 1 600 58 58 LEU CA C 58.3200 . 1 601 58 58 LEU CB C 42.0280 . 1 602 58 58 LEU CG C 27.9100 . 1 603 58 58 LEU CD1 C 26.0300 . 2 604 58 58 LEU CD2 C 24.9600 . 2 605 58 58 LEU N N 119.9230 . 1 606 59 59 PHE H H 8.3120 . 1 607 59 59 PHE HA H 4.4790 . 1 608 59 59 PHE HB2 H 3.1960 . 2 609 59 59 PHE HB3 H 2.9810 . 1 610 59 59 PHE HD1 H 7.5600 . 1 611 59 59 PHE HD2 H 7.5600 . 1 612 59 59 PHE HE1 H 7.2100 . 1 613 59 59 PHE HE2 H 7.2100 . 1 614 59 59 PHE HZ H 7.0790 . 1 615 59 59 PHE CA C 63.0800 . 1 616 59 59 PHE CB C 38.8520 . 1 617 59 59 PHE N N 116.6320 . 1 618 60 60 ASP H H 7.4620 . 1 619 60 60 ASP HA H 4.6710 . 1 620 60 60 ASP HB2 H 2.9100 . 2 621 60 60 ASP HB3 H 2.7700 . 1 622 60 60 ASP CA C 57.8700 . 1 623 60 60 ASP CB C 41.5410 . 1 624 60 60 ASP N N 120.6030 . 1 625 61 61 ALA H H 7.6640 . 1 626 61 61 ALA HA H 4.2610 . 1 627 61 61 ALA HB H 1.5350 . 1 628 61 61 ALA CA C 54.5460 . 1 629 61 61 ALA CB C 18.8800 . 1 630 61 61 ALA N N 122.4700 . 1 631 62 62 ILE H H 7.6530 . 1 632 62 62 ILE HA H 3.6820 . 1 633 62 62 ILE HB H 1.9120 . 1 634 62 62 ILE HG12 H 2.0330 . 2 635 62 62 ILE HG13 H 0.9250 . 1 636 62 62 ILE HG2 H 0.6610 . 1 637 62 62 ILE HD1 H 0.7700 . 1 638 62 62 ILE CA C 63.4200 . 1 639 62 62 ILE CB C 40.1550 . 1 640 62 62 ILE CG1 C 32.3350 . 1 641 62 62 ILE CG2 C 18.3900 . 1 642 62 62 ILE CD1 C 16.2300 . 1 643 62 62 ILE N N 115.5250 . 1 644 63 63 ARG H H 6.9170 . 1 645 63 63 ARG HA H 3.4740 . 1 646 63 63 ARG CA C 62.3700 . 1 647 63 63 ARG N N 121.0160 . 1 648 64 64 PRO HA H 4.3110 . 1 649 64 64 PRO HB2 H 1.5110 . 2 650 64 64 PRO HB3 H 2.2780 . 1 651 64 64 PRO HG2 H 1.8820 . 1 652 64 64 PRO HG3 H 1.8820 . 1 653 64 64 PRO HD2 H 3.6880 . 2 654 64 64 PRO HD3 H 3.5520 . 1 655 64 64 PRO CA C 65.7400 . 1 656 64 64 PRO CB C 32.1870 . 1 657 64 64 PRO CG C 28.8400 . 1 658 64 64 PRO CD C 50.8650 . 1 659 65 65 LEU H H 8.0740 . 1 660 65 65 LEU HA H 3.9200 . 1 661 65 65 LEU HB2 H 1.3110 . 2 662 65 65 LEU HB3 H 1.8240 . 1 663 65 65 LEU HG H 1.4280 . 1 664 65 65 LEU HD1 H 0.2930 . 1 665 65 65 LEU HD2 H 0.1580 . 1 666 65 65 LEU CA C 55.6600 . 1 667 65 65 LEU CB C 42.1080 . 1 668 65 65 LEU CG C 28.1000 . 1 669 65 65 LEU CD1 C 23.9500 . 2 670 65 65 LEU CD2 C 26.0400 . 2 671 65 65 LEU N N 114.7130 . 1 672 66 66 ILE H H 7.3980 . 1 673 66 66 ILE HA H 4.3050 . 1 674 66 66 ILE HB H 2.1100 . 1 675 66 66 ILE HG12 H 0.0360 . 2 676 66 66 ILE HG13 H 1.3540 . 1 677 66 66 ILE HG2 H 0.8490 . 1 678 66 66 ILE HD1 H 0.0880 . 1 679 66 66 ILE CA C 56.7600 . 1 680 66 66 ILE CB C 36.6440 . 1 681 66 66 ILE CG1 C 26.1900 . 1 682 66 66 ILE CG2 C 17.1500 . 1 683 66 66 ILE CD1 C 10.3600 . 1 684 66 66 ILE N N 120.1290 . 1 685 67 67 PRO HA H 4.3050 . 1 686 67 67 PRO HB2 H 2.2950 . 2 687 67 67 PRO HB3 H 1.6210 . 1 688 67 67 PRO HG2 H 1.7890 . 2 689 67 67 PRO HG3 H 1.8510 . 1 690 67 67 PRO HD2 H 4.4250 . 2 691 67 67 PRO HD3 H 4.0090 . 1 692 67 67 PRO CA C 63.6400 . 1 693 67 67 PRO CB C 33.2890 . 1 694 67 67 PRO CG C 28.8900 . 1 695 67 67 PRO CD C 51.8450 . 1 696 68 68 LEU H H 8.4710 . 1 697 68 68 LEU HA H 3.8500 . 1 698 68 68 LEU HB2 H 1.6020 . 2 699 68 68 LEU HB3 H 1.6660 . 1 700 68 68 LEU HG H 1.6610 . 1 701 68 68 LEU HD1 H 0.9110 . 1 702 68 68 LEU HD2 H 0.8720 . 1 703 68 68 LEU CA C 59.6200 . 1 704 68 68 LEU CB C 42.4670 . 1 705 68 68 LEU CG C 27.8900 . 1 706 68 68 LEU CD1 C 25.0400 . 2 707 68 68 LEU CD2 C 24.9000 . 2 708 68 68 LEU N N 124.6730 . 1 709 69 69 LYS H H 8.5360 . 1 710 69 69 LYS HA H 4.1690 . 1 711 69 69 LYS HB2 H 1.8370 . 2 712 69 69 LYS HB3 H 1.6730 . 1 713 69 69 LYS HG2 H 1.1270 . 2 714 69 69 LYS HG3 H 0.8490 . 1 715 69 69 LYS HD2 H 1.5300 . 1 716 69 69 LYS HD3 H 1.5300 . 1 717 69 69 LYS HE2 H 2.7500 . 2 718 69 69 LYS HE3 H 2.6970 . 1 719 69 69 LYS CA C 59.0200 . 1 720 69 69 LYS CB C 32.5060 . 1 721 69 69 LYS CG C 24.6000 . 1 722 69 69 LYS CD C 29.9700 . 1 723 69 69 LYS CE C 42.3990 . 1 724 69 69 LYS N N 115.2470 . 1 725 70 70 HIS H H 8.0600 . 1 726 70 70 HIS HA H 5.2250 . 1 727 70 70 HIS HB2 H 3.3390 . 2 728 70 70 HIS HB3 H 2.9060 . 1 729 70 70 HIS HD2 H 6.9530 . 1 730 70 70 HIS CA C 54.8890 . 1 731 70 70 HIS CB C 35.0380 . 1 732 70 70 HIS N N 118.8490 . 1 733 71 71 GLN H H 7.7320 . 1 734 71 71 GLN HA H 3.6990 . 1 735 71 71 GLN HB2 H 2.0000 . 2 736 71 71 GLN HB3 H 2.1400 . 1 737 71 71 GLN HG2 H 1.9460 . 2 738 71 71 GLN HG3 H 2.5630 . 1 739 71 71 GLN HE21 H 6.6490 . 2 740 71 71 GLN HE22 H 7.4870 . 2 741 71 71 GLN CA C 61.6900 . 1 742 71 71 GLN CB C 29.2500 . 1 743 71 71 GLN CG C 36.4410 . 1 744 71 71 GLN N N 122.1300 . 1 745 71 71 GLN NE2 N 112.1480 . 1 746 72 72 VAL H H 8.2030 . 1 747 72 72 VAL HA H 3.8080 . 1 748 72 72 VAL HB H 2.0420 . 1 749 72 72 VAL HG1 H 1.0510 . 1 750 72 72 VAL HG2 H 0.8970 . 1 751 72 72 VAL CA C 67.2200 . 1 752 72 72 VAL CB C 31.8140 . 1 753 72 72 VAL CG1 C 23.5800 . 2 754 72 72 VAL CG2 C 21.6200 . 2 755 72 72 VAL N N 119.1820 . 1 756 73 73 GLU H H 8.1360 . 1 757 73 73 GLU HA H 3.9780 . 1 758 73 73 GLU HB2 H 2.0200 . 2 759 73 73 GLU HB3 H 1.8690 . 1 760 73 73 GLU HG2 H 2.2400 . 2 761 73 73 GLU HG3 H 2.1900 . 1 762 73 73 GLU CA C 60.1000 . 1 763 73 73 GLU CB C 30.6600 . 1 764 73 73 GLU CG C 37.2760 . 1 765 73 73 GLU N N 121.8780 . 1 766 74 74 TYR H H 8.4910 . 1 767 74 74 TYR HA H 3.6770 . 1 768 74 74 TYR HB2 H 3.1480 . 2 769 74 74 TYR HB3 H 2.8000 . 1 770 74 74 TYR HD1 H 6.7980 . 1 771 74 74 TYR HD2 H 6.7980 . 1 772 74 74 TYR HE1 H 6.4640 . 1 773 74 74 TYR HE2 H 6.4640 . 1 774 74 74 TYR HH H 8.9810 . 1 775 74 74 TYR CA C 63.3100 . 1 776 74 74 TYR CB C 40.0200 . 1 777 74 74 TYR N N 119.7800 . 1 778 75 75 ASP H H 8.5660 . 1 779 75 75 ASP HA H 4.1430 . 1 780 75 75 ASP HB2 H 2.9040 . 2 781 75 75 ASP HB3 H 2.5600 . 1 782 75 75 ASP CA C 57.5600 . 1 783 75 75 ASP CB C 40.5780 . 1 784 75 75 ASP N N 120.2310 . 1 785 76 76 GLN H H 7.8440 . 1 786 76 76 GLN HA H 4.0560 . 1 787 76 76 GLN HB2 H 2.2200 . 2 788 76 76 GLN HB3 H 2.0600 . 1 789 76 76 GLN HG2 H 2.5230 . 2 790 76 76 GLN HG3 H 2.3920 . 1 791 76 76 GLN HE21 H 6.7250 . 2 792 76 76 GLN HE22 H 7.2970 . 2 793 76 76 GLN CA C 58.4300 . 1 794 76 76 GLN CB C 29.4300 . 1 795 76 76 GLN CG C 34.6690 . 1 796 76 76 GLN N N 118.3240 . 1 797 76 76 GLN NE2 N 111.8660 . 1 798 77 77 LEU H H 7.6650 . 1 799 77 77 LEU HA H 4.1970 . 1 800 77 77 LEU HB2 H 1.6040 . 2 801 77 77 LEU HB3 H 1.3910 . 1 802 77 77 LEU HG H 1.8680 . 1 803 77 77 LEU HD1 H 0.7730 . 1 804 77 77 LEU HD2 H 0.7910 . 1 805 77 77 LEU CA C 55.9100 . 1 806 77 77 LEU CB C 45.4040 . 1 807 77 77 LEU CG C 27.2000 . 1 808 77 77 LEU CD1 C 26.4500 . 2 809 77 77 LEU CD2 C 22.7800 . 2 810 77 77 LEU N N 117.9320 . 1 811 78 78 THR H H 7.1300 . 1 812 78 78 THR HA H 3.7090 . 1 813 78 78 THR HB H 3.1420 . 1 814 78 78 THR HG2 H 0.1400 . 1 815 78 78 THR CA C 59.7500 . 1 816 78 78 THR CB C 69.1100 . 1 817 78 78 THR CG2 C 22.9800 . 1 818 78 78 THR N N 110.3230 . 1 819 79 79 PRO HA H 4.2460 . 1 820 79 79 PRO HB2 H 2.1990 . 2 821 79 79 PRO HB3 H 1.6920 . 1 822 79 79 PRO HG2 H 1.8680 . 1 823 79 79 PRO HG3 H 1.8680 . 1 824 79 79 PRO HD2 H 2.4020 . 2 825 79 79 PRO HD3 H 2.8880 . 1 826 79 79 PRO CA C 63.6800 . 1 827 79 79 PRO CB C 32.3910 . 1 828 79 79 PRO CG C 28.6500 . 1 829 79 79 PRO CD C 50.8500 . 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name cadherin23 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 99 2 SER HA H 4.4200 . 1 2 99 2 SER HB2 H 3.8860 . 2 3 99 2 SER HB3 H 3.9860 . 1 4 99 2 SER CA C 59.5700 . 1 5 99 2 SER CB C 63.85 . 1 6 100 3 LEU H H 8.2160 . 1 7 100 3 LEU HA H 4.1220 . 1 8 100 3 LEU HB2 H 1.6470 . 2 9 100 3 LEU HB3 H 1.4080 . 1 10 100 3 LEU HG H 1.5610 . 1 11 100 3 LEU HD1 H 0.8520 . 1 12 100 3 LEU HD2 H 0.7800 . 1 13 100 3 LEU CA C 58.5000 . 1 14 100 3 LEU CB C 42.6620 . 1 15 100 3 LEU CG C 27.8600 . 1 16 100 3 LEU CD1 C 25.4400 . 2 17 100 3 LEU CD2 C 25.0600 . 2 18 100 3 LEU N N 126.1870 . 1 19 101 4 LEU H H 8.2370 . 1 20 101 4 LEU HA H 3.8110 . 1 21 101 4 LEU HB2 H 1.7100 . 2 22 101 4 LEU HB3 H 1.8470 . 1 23 101 4 LEU HG H 1.4260 . 1 24 101 4 LEU HD1 H 0.8960 . 1 25 101 4 LEU HD2 H 1.0130 . 1 26 101 4 LEU CA C 58.7400 . 1 27 101 4 LEU CB C 41.7950 . 1 28 101 4 LEU CG C 28.1400 . 1 29 101 4 LEU CD1 C 24.8100 . 2 30 101 4 LEU CD2 C 27.3200 . 2 31 101 4 LEU N N 120.1710 . 1 32 102 5 LYS H H 7.7300 . 1 33 102 5 LYS HA H 3.4480 . 1 34 102 5 LYS HB2 H 1.9140 . 2 35 102 5 LYS HB3 H 1.7360 . 1 36 102 5 LYS HG2 H 1.3300 . 1 37 102 5 LYS HG3 H 1.3300 . 1 38 102 5 LYS HE2 H 2.9450 . 1 39 102 5 LYS HE3 H 2.9450 . 1 40 102 5 LYS CA C 60.4200 . 1 41 102 5 LYS CB C 33.1830 . 1 42 102 5 LYS CG C 25.6100 . 1 43 102 5 LYS CE C 42.6090 . 1 44 102 5 LYS N N 118.0930 . 1 45 103 6 GLU H H 7.6600 . 1 46 103 6 GLU HA H 4.0020 . 1 47 103 6 GLU HB2 H 2.0190 . 2 48 103 6 GLU HB3 H 2.1780 . 1 49 103 6 GLU HG2 H 2.1720 . 2 50 103 6 GLU HG3 H 2.3310 . 1 51 103 6 GLU CA C 60.2900 . 1 52 103 6 GLU CB C 30.3300 . 1 53 103 6 GLU CG C 36.9280 . 1 54 103 6 GLU N N 118.6990 . 1 55 104 7 VAL H H 8.1870 . 1 56 104 7 VAL HA H 3.8180 . 1 57 104 7 VAL HB H 2.3070 . 1 58 104 7 VAL HG1 H 0.9010 . 1 59 104 7 VAL HG2 H 0.9260 . 1 60 104 7 VAL CA C 67.0600 . 1 61 104 7 VAL CB C 32.5770 . 1 62 104 7 VAL CG1 C 22.5800 . 2 63 104 7 VAL CG2 C 23.7000 . 2 64 104 7 VAL N N 119.3510 . 1 65 105 8 LEU H H 8.0630 . 1 66 105 8 LEU HA H 4.1610 . 1 67 105 8 LEU HB2 H 1.8830 . 2 68 105 8 LEU HB3 H 1.4170 . 1 69 105 8 LEU HG H 1.8040 . 1 70 105 8 LEU HD1 H 0.6290 . 1 71 105 8 LEU HD2 H 0.9000 . 1 72 105 8 LEU CA C 58.6200 . 1 73 105 8 LEU CB C 42.0580 . 1 74 105 8 LEU CG C 27.2500 . 1 75 105 8 LEU CD1 C 27.0300 . 2 76 105 8 LEU CD2 C 23.8500 . 2 77 105 8 LEU N N 121.5050 . 1 78 106 9 GLU H H 8.4640 . 1 79 106 9 GLU HA H 3.9680 . 1 80 106 9 GLU HB2 H 2.0950 . 2 81 106 9 GLU HB3 H 1.9700 . 1 82 106 9 GLU HG2 H 2.4300 . 2 83 106 9 GLU HG3 H 2.2350 . 1 84 106 9 GLU CA C 60.0100 . 1 85 106 9 GLU CB C 30.0700 . 1 86 106 9 GLU CG C 37.6080 . 1 87 106 9 GLU N N 120.2790 . 1 88 107 10 ASP H H 8.0350 . 1 89 107 10 ASP HA H 4.3510 . 1 90 107 10 ASP HB2 H 2.7470 . 2 91 107 10 ASP HB3 H 2.6450 . 1 92 107 10 ASP CA C 57.8200 . 1 93 107 10 ASP CB C 42.6560 . 1 94 107 10 ASP N N 119.9710 . 1 95 108 11 TYR H H 7.5390 . 1 96 108 11 TYR HA H 3.9800 . 1 97 108 11 TYR HB2 H 2.7090 . 2 98 108 11 TYR HB3 H 2.6780 . 1 99 108 11 TYR HD1 H 6.4690 . 1 100 108 11 TYR HD2 H 6.4690 . 1 101 108 11 TYR HE1 H 6.7880 . 1 102 108 11 TYR HE2 H 6.7880 . 1 103 108 11 TYR CA C 61.4400 . 1 104 108 11 TYR CB C 40.0350 . 1 105 108 11 TYR N N 119.5930 . 1 106 109 12 LEU H H 7.8580 . 1 107 109 12 LEU HA H 3.7950 . 1 108 109 12 LEU HB2 H 1.7430 . 2 109 109 12 LEU HB3 H 1.4900 . 1 110 109 12 LEU HG H 1.7920 . 1 111 109 12 LEU HD1 H 0.8360 . 1 112 109 12 LEU HD2 H 0.8680 . 1 113 109 12 LEU CA C 57.4000 . 1 114 109 12 LEU CB C 42.4590 . 1 115 109 12 LEU CG C 27.6800 . 1 116 109 12 LEU CD1 C 23.8300 . 2 117 109 12 LEU CD2 C 25.8600 . 2 118 109 12 LEU N N 118.4540 . 1 119 110 13 ARG H H 7.6700 . 1 120 110 13 ARG HA H 4.0170 . 1 121 110 13 ARG HB2 H 1.8620 . 1 122 110 13 ARG HB3 H 1.8620 . 1 123 110 13 ARG HG2 H 1.6500 . 2 124 110 13 ARG HG3 H 1.5810 . 1 125 110 13 ARG HD2 H 3.1750 . 1 126 110 13 ARG HD3 H 3.1750 . 1 127 110 13 ARG CA C 58.6700 . 1 128 110 13 ARG CB C 30.9300 . 1 129 110 13 ARG CG C 28.4200 . 1 130 110 13 ARG CD C 43.9070 . 1 131 110 13 ARG N N 118.6990 . 1 132 111 14 LEU H H 7.4770 . 1 133 111 14 LEU HA H 4.1640 . 1 134 111 14 LEU HB2 H 1.5880 . 2 135 111 14 LEU HB3 H 1.4710 . 1 136 111 14 LEU HG H 1.5900 . 1 137 111 14 LEU HD1 H 0.7730 . 1 138 111 14 LEU HD2 H 0.7890 . 1 139 111 14 LEU CA C 55.9700 . 1 140 111 14 LEU CB C 42.8900 . 1 141 111 14 LEU CG C 27.6200 . 1 142 111 14 LEU CD1 C 23.7800 . 2 143 111 14 LEU CD2 C 25.7000 . 2 144 111 14 LEU N N 119.8070 . 1 145 112 15 LYS H H 7.5100 . 1 146 112 15 LYS HA H 4.1120 . 1 147 112 15 LYS HB2 H 1.6710 . 2 148 112 15 LYS HB3 H 1.5320 . 1 149 112 15 LYS HG2 H 1.2040 . 1 150 112 15 LYS HG3 H 1.2040 . 1 151 112 15 LYS HD2 H 1.4530 . 1 152 112 15 LYS HD3 H 1.4530 . 1 153 112 15 LYS HE2 H 2.8620 . 2 154 112 15 LYS HE3 H 2.7910 . 1 155 112 15 LYS CA C 56.7900 . 1 156 112 15 LYS CB C 33.0680 . 1 157 112 15 LYS CG C 25.0000 . 1 158 112 15 LYS CD C 29.4600 . 1 159 112 15 LYS CE C 42.5250 . 1 160 112 15 LYS N N 121.7490 . 1 161 113 16 LYS H H 7.6940 . 1 162 113 16 LYS HA H 4.0750 . 1 163 113 16 LYS HB2 H 1.7610 . 2 164 113 16 LYS HB3 H 1.6610 . 1 165 113 16 LYS HG2 H 1.3440 . 1 166 113 16 LYS HG3 H 1.3440 . 1 167 113 16 LYS CA C 58.3400 . 1 168 113 16 LYS CB C 34.3070 . 1 169 113 16 LYS CG C 25.6400 . 1 170 113 16 LYS CE C 42.6090 . 1 171 113 16 LYS N N 128.5250 . 1 stop_ save_