data_4912 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Basis of Diverse Sequence-dependent Target Recognition by the 8kDa Dynein light chain ; _BMRB_accession_number 4912 _BMRB_flat_file_name bmr4912.str _Entry_type original _Submission_date 2000-12-06 _Accession_date 2000-12-06 _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 Fan Jing-Song . . 2 Zhang Qiang . . 3 Tochio Hidehito . . 4 Li Ming . . 5 Zhang Mingjie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 524 "13C chemical shifts" 248 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-08-08 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 4911 'complex with NNOS (fragment peptide)' stop_ _Original_release_date 2001-08-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Basis of Diverse Sequence-dependent Target Recognition by the 8kDa Dynein light chain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21103709 _PubMed_ID 11178896 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fan Jing-Song . . 2 Zhang Qiang . . 3 Tochio Hidehito . . 4 Li Ming . . 5 Zhang Mingjie . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of Molecular Biology' _Journal_volume 306 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 97 _Page_last 108 _Year 2001 _Details . loop_ _Keyword dynein 'light chain' DLC8 microtubules stop_ save_ ################################## # Molecular system description # ################################## save_system_LC8 _Saveframe_category molecular_system _Mol_system_name DYNEIN _Abbreviation_common LC8 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DYNEIN light chain 8, DLC8, subunit a' $DLC8 'DYNEIN light chain 8, DLC8, subunit b' $DLC8 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'DYNEIN light chain 8, DLC8, subunit a' 1 'DYNEIN light chain 8, DLC8, subunit b' stop_ loop_ _Biological_function 'multifunctional regulatory protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DLC8 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'dynein light chain 8' _Name_variant PIN _Abbreviation_common DLC8 _Molecular_mass 10300 _Mol_thiol_state 'all free' _Details ; It exists as a dimer in physiological condition. It migrates 8KDa on the SDS-PAGE. ; ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; MCDRKAVIKNADMSEEMQQD SVECATQALEKYNIEKDIAA HIKKEFDKKYNPTWHCIVGR NFGSYVTHETKHFIYFYLGQ VAILLFKSG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 CYS 3 ASP 4 ARG 5 LYS 6 ALA 7 VAL 8 ILE 9 LYS 10 ASN 11 ALA 12 ASP 13 MET 14 SER 15 GLU 16 GLU 17 MET 18 GLN 19 GLN 20 ASP 21 SER 22 VAL 23 GLU 24 CYS 25 ALA 26 THR 27 GLN 28 ALA 29 LEU 30 GLU 31 LYS 32 TYR 33 ASN 34 ILE 35 GLU 36 LYS 37 ASP 38 ILE 39 ALA 40 ALA 41 HIS 42 ILE 43 LYS 44 LYS 45 GLU 46 PHE 47 ASP 48 LYS 49 LYS 50 TYR 51 ASN 52 PRO 53 THR 54 TRP 55 HIS 56 CYS 57 ILE 58 VAL 59 GLY 60 ARG 61 ASN 62 PHE 63 GLY 64 SER 65 TYR 66 VAL 67 THR 68 HIS 69 GLU 70 THR 71 LYS 72 HIS 73 PHE 74 ILE 75 TYR 76 PHE 77 TYR 78 LEU 79 GLY 80 GLN 81 VAL 82 ALA 83 ILE 84 LEU 85 LEU 86 PHE 87 LYS 88 SER 89 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 BMRB 4305 PIN_monomer 100.00 92 100.00 100.00 1.53e-59 PDB 1CMI "Structure Of The Human PinLC8 DIMER WITH A BOUND PEPTIDE" 95.51 85 100.00 100.00 8.26e-56 PDB 1F3C "Refined Solution Structure Of 8kda Dynein Light Chain (Dlc8)" 100.00 89 100.00 100.00 1.53e-59 PDB 1F95 "Solution Structure Of Dynein Light Chain 8 (Dlc8) And Bim Peptide Complex" 100.00 89 100.00 100.00 1.53e-59 PDB 1F96 "Solution Structure Of Dynein Light Chain 8 (Dlc8) And Nnos Peptide Complex" 100.00 89 100.00 100.00 1.53e-59 PDB 3ZKE "Structure Of Lc8 In Complex With Nek9 Peptide" 100.00 89 100.00 100.00 1.53e-59 PDB 3ZKF "Structure Of Lc8 In Complex With Nek9 Phosphopeptide" 100.00 89 100.00 100.00 1.53e-59 DBJ BAB22160 "unnamed protein product [Mus musculus]" 100.00 89 100.00 100.00 1.53e-59 DBJ BAB27063 "unnamed protein product [Mus musculus]" 100.00 89 100.00 100.00 1.53e-59 DBJ BAB27117 "unnamed protein product [Mus musculus]" 100.00 89 100.00 100.00 1.53e-59 DBJ BAB28970 "unnamed protein product [Mus musculus]" 100.00 89 100.00 100.00 1.53e-59 DBJ BAB28973 "unnamed protein product [Mus musculus]" 100.00 89 98.88 98.88 7.60e-59 EMBL CAG28600 "DNCL1 [Homo sapiens]" 100.00 89 100.00 100.00 1.53e-59 EMBL CAG46925 "DNCL1 [Homo sapiens]" 100.00 89 100.00 100.00 1.53e-59 EMBL CAH65122 "hypothetical protein RCJMB04_3n18 [Gallus gallus]" 100.00 89 97.75 98.88 4.35e-58 EMBL CAZ64801 "dynein, light chain, LC8-type 1 [Sus scrofa]" 100.00 89 100.00 100.00 1.53e-59 EMBL CAZ64802 "dynein, light chain, LC8-type 1 [Phacochoerus africanus]" 100.00 89 100.00 100.00 1.53e-59 GB AAB04149 "cytoplasmic dynein light chain 1 [Homo sapiens]" 100.00 89 100.00 100.00 1.53e-59 GB AAB38257 "protein inhibitor of neuronal nitric oxide synthase [Rattus norvegicus]" 100.00 89 100.00 100.00 1.53e-59 GB AAC32530 "protein inhibitor of neuronal nitric oxide synthase [Oryctolagus cuniculus]" 100.00 89 100.00 100.00 1.53e-59 GB AAC32531 "protein inhibitor of neuronal nitric oxide synthase [Oryctolagus cuniculus]" 100.00 89 100.00 100.00 1.53e-59 GB AAD01643 "protein inhibitor of nitric oxide synthase [Mus musculus]" 100.00 89 100.00 100.00 1.53e-59 REF NP_001003901 "dynein light chain 1, cytoplasmic [Bos taurus]" 100.00 89 100.00 100.00 1.53e-59 REF NP_001032583 "dynein light chain 1, cytoplasmic [Homo sapiens]" 100.00 89 100.00 100.00 1.53e-59 REF NP_001032584 "dynein light chain 1, cytoplasmic [Homo sapiens]" 100.00 89 100.00 100.00 1.53e-59 REF NP_001075487 "dynein light chain 1, cytoplasmic [Oryctolagus cuniculus]" 100.00 89 100.00 100.00 1.53e-59 REF NP_001182043 "dynein light chain 1, cytoplasmic [Sus scrofa]" 100.00 89 100.00 100.00 1.53e-59 SP P61273 "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=Dynein light chain LC8-type 1 [Macaca fascicularis]" 100.00 89 100.00 100.00 1.53e-59 SP P61285 "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=Dynein light chain LC8-type 1 [Bos taurus]" 100.00 89 100.00 100.00 1.53e-59 SP P63167 "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=8 kDa dynein light chain; Short=DLC8; AltName: Full=Dynein light" 100.00 89 100.00 100.00 1.53e-59 SP P63168 "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=8 kDa dynein light chain; Short=DLC8; AltName: Full=Dynein light" 100.00 89 100.00 100.00 1.53e-59 SP P63169 "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=8 kDa dynein light chain; Short=DLC8; AltName: Full=Dynein light" 100.00 89 100.00 100.00 1.53e-59 TPG DAA17449 "TPA: dynein light chain 1-like [Bos taurus]" 100.00 89 98.88 100.00 7.28e-59 TPG DAA20577 "TPA: dynein light chain 1, cytoplasmic [Bos taurus]" 100.00 89 100.00 100.00 1.53e-59 TPG DAA23836 "TPA: dynein, light chain, LC8-type 2-like [Bos taurus]" 100.00 89 97.75 98.88 7.03e-58 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DLC8 Rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $DLC8 'recombinant technology' . . . . pET-14b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DLC8 1.5 mM [U-13C;U-15N] 'phosphate buffer' 100 mM . DTT 10 mM . D2O 99.99 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DLC8 1.5 mM [U-15N] 'phosphate buffer' 100 mM . DTT 10 mM . D2O 10 % . H2O 90 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DLC8 1.5 mM '[U-15N; U-13C]' 'phosphate buffer' 100 mM . D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1b loop_ _Task 'data collection' stop_ _Details Varian save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 1.7 loop_ _Task 'data processing' stop_ _Details 'F. Delaglio' save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.8 loop_ _Task 'structure solution' stop_ _Details BRUNGER save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_HNHA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.2 n/a temperature 303 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'DYNEIN light chain 8, DLC8, subunit a' _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 . 1 MET N N 122.3700 0.05 1 2 . 1 MET H H 8.5000 0.02 1 3 . 1 MET CA C 56.3800 0.05 1 4 . 1 MET HA H 4.4400 0.02 1 5 . 1 MET CB C 33.2300 0.05 1 6 . 1 MET HB2 H 2.0800 0.02 1 7 . 1 MET HB3 H 2.0100 0.02 1 8 . 1 MET HG2 H 2.5800 0.02 1 9 . 1 MET HG3 H 2.0100 0.02 1 10 . 1 MET CE C 17.5300 0.05 1 11 . 1 MET HE H 2.0100 0.02 1 12 . 2 CYS N N 120.3800 0.05 1 13 . 2 CYS H H 8.4300 0.02 1 14 . 2 CYS CA C 59.0000 0.05 1 15 . 2 CYS HA H 4.4600 0.02 1 16 . 2 CYS CB C 27.7200 0.05 1 17 . 2 CYS HB3 H 2.9300 0.02 1 18 . 3 ASP N N 123.2600 0.05 1 19 . 3 ASP H H 8.3400 0.02 1 20 . 3 ASP CA C 55.0200 0.05 1 21 . 3 ASP HA H 4.6000 0.02 1 22 . 3 ASP CB C 41.5700 0.05 1 23 . 3 ASP HB2 H 2.7000 0.02 1 24 . 3 ASP HB3 H 2.7000 0.02 1 25 . 4 ARG N N 121.1600 0.05 1 26 . 4 ARG H H 8.1600 0.02 1 27 . 4 ARG CA C 56.1600 0.05 1 28 . 4 ARG HA H 4.3100 0.02 1 29 . 4 ARG CB C 31.1800 0.05 1 30 . 4 ARG HB2 H 1.8400 0.02 1 31 . 4 ARG HB3 H 1.8400 0.02 1 32 . 4 ARG CG C 27.7800 0.05 1 33 . 4 ARG HG2 H 1.7000 0.02 1 34 . 4 ARG HG3 H 1.6200 0.02 1 35 . 4 ARG HD3 H 3.1300 0.02 1 36 . 5 LYS N N 122.0400 0.05 1 37 . 5 LYS H H 8.1100 0.02 1 38 . 5 LYS CA C 56.4500 0.05 1 39 . 5 LYS HA H 4.3100 0.02 1 40 . 5 LYS CB C 33.4800 0.05 1 41 . 5 LYS HB3 H 1.8100 0.02 1 42 . 5 LYS CG C 25.2300 0.05 1 43 . 5 LYS HG3 H 1.2900 0.02 1 44 . 5 LYS CD C 29.5600 0.05 1 45 . 5 LYS HD2 H 1.6900 0.02 1 46 . 5 LYS HD3 H 1.4500 0.02 1 47 . 5 LYS HE2 H 3.0000 0.02 1 48 . 6 ALA N N 126.9400 0.05 1 49 . 6 ALA H H 8.4800 0.02 1 50 . 6 ALA CA C 52.0700 0.05 1 51 . 6 ALA HA H 5.1600 0.02 1 52 . 6 ALA CB C 21.5300 0.05 1 53 . 6 ALA HB H 1.3200 0.02 1 54 . 7 VAL N N 123.6700 0.05 1 55 . 7 VAL H H 8.9300 0.02 1 56 . 7 VAL CA C 62.3200 0.05 1 57 . 7 VAL HA H 4.2400 0.02 1 58 . 7 VAL CB C 34.7000 0.05 1 59 . 7 VAL HB H 2.0600 0.02 1 60 . 7 VAL CG1 C 21.4000 0.05 1 61 . 7 VAL HG1 H 0.8500 0.02 1 62 . 7 VAL CG2 C 20.7000 0.05 1 63 . 7 VAL HG2 H 0.9500 0.02 1 64 . 8 ILE N N 129.3200 0.05 1 65 . 8 ILE H H 9.1200 0.02 1 66 . 8 ILE CA C 62.2000 0.05 1 67 . 8 ILE HA H 4.0400 0.02 1 68 . 8 ILE CB C 37.1800 0.05 1 69 . 8 ILE HB H 1.9900 0.02 1 70 . 8 ILE CG1 C 28.3000 0.05 1 71 . 8 ILE HG12 H 1.4700 0.02 1 72 . 8 ILE HG13 H 1.0000 0.02 1 73 . 8 ILE CG2 C 18.6300 0.05 1 74 . 8 ILE HG2 H 0.8100 0.02 1 75 . 8 ILE CD1 C 12.5400 0.05 1 76 . 8 ILE HD1 H 0.6800 0.02 1 77 . 9 LYS N N 130.0300 0.05 1 78 . 9 LYS H H 8.4600 0.02 1 79 . 9 LYS CA C 56.8600 0.05 1 80 . 9 LYS HA H 4.4300 0.02 1 81 . 9 LYS CB C 33.1000 0.05 1 82 . 9 LYS HB2 H 1.8700 0.02 1 83 . 9 LYS HB3 H 1.6600 0.02 1 84 . 9 LYS CG C 24.3700 0.05 1 85 . 9 LYS HG2 H 1.3200 0.02 1 86 . 9 LYS HG3 H 1.3400 0.02 1 87 . 9 LYS CD C 28.0800 0.05 1 88 . 9 LYS HD2 H 1.5300 0.02 1 89 . 9 LYS HE2 H 2.7800 0.02 1 90 . 10 ASN N N 115.3800 0.05 1 91 . 10 ASN H H 8.1900 0.02 1 92 . 10 ASN CA C 54.3000 0.05 1 93 . 10 ASN HA H 5.0000 0.02 1 94 . 10 ASN CB C 43.0600 0.05 1 95 . 10 ASN HB2 H 2.9900 0.02 1 96 . 10 ASN HB3 H 2.9200 0.02 1 97 . 10 ASN ND2 N 111.4200 0.05 1 98 . 10 ASN HD21 H 6.8200 0.02 1 99 . 10 ASN HD22 H 7.5900 0.02 1 100 . 11 ALA N N 124.6500 0.05 1 101 . 11 ALA H H 8.7300 0.02 1 102 . 11 ALA CA C 52.4900 0.05 1 103 . 11 ALA HA H 4.8400 0.02 1 104 . 11 ALA CB C 22.7700 0.05 1 105 . 11 ALA HB H 1.3700 0.02 1 106 . 12 ASP N N 123.5200 0.05 1 107 . 12 ASP H H 8.9600 0.02 1 108 . 12 ASP CA C 53.7200 0.05 1 109 . 12 ASP HA H 4.8700 0.02 1 110 . 12 ASP CB C 41.3500 0.05 1 111 . 12 ASP HB2 H 2.8500 0.02 1 112 . 12 ASP HB3 H 2.7800 0.02 1 113 . 13 MET N N 120.4900 0.05 1 114 . 13 MET H H 7.8800 0.02 1 115 . 13 MET CA C 56.3900 0.05 1 116 . 13 MET HA H 4.5500 0.02 1 117 . 13 MET CB C 38.8300 0.05 1 118 . 13 MET HB2 H 1.8500 0.02 1 119 . 13 MET HB3 H 2.1900 0.02 1 120 . 13 MET CG C 34.3500 0.05 1 121 . 13 MET HG2 H 2.9100 0.02 1 122 . 13 MET HG3 H 2.6400 0.02 1 123 . 13 MET CE C 17.8700 0.05 1 124 . 13 MET HE H 2.0600 0.02 1 125 . 14 SER N N 123.5500 0.05 1 126 . 14 SER H H 9.3600 0.02 1 127 . 14 SER CA C 58.5700 0.05 1 128 . 14 SER HA H 4.4900 0.02 1 129 . 14 SER CB C 64.5100 0.05 1 130 . 14 SER HB2 H 4.4100 0.02 1 131 . 14 SER HB3 H 4.1200 0.02 1 132 . 15 GLU N N 124.1600 0.05 1 133 . 15 GLU H H 9.2600 0.02 1 134 . 15 GLU CA C 61.1500 0.05 1 135 . 15 GLU HA H 3.7800 0.02 1 136 . 15 GLU CB C 29.7000 0.05 1 137 . 15 GLU HB2 H 2.0800 0.02 1 138 . 15 GLU HB3 H 2.0500 0.02 1 139 . 15 GLU CG C 36.8600 0.05 1 140 . 15 GLU HG2 H 2.4100 0.02 1 141 . 15 GLU HG3 H 2.3600 0.02 1 142 . 16 GLU N N 119.2800 0.05 1 143 . 16 GLU H H 9.2000 0.02 1 144 . 16 GLU CA C 60.5500 0.05 1 145 . 16 GLU HA H 4.0400 0.02 1 146 . 16 GLU CB C 29.5600 0.05 1 147 . 16 GLU HB2 H 1.9900 0.02 1 148 . 16 GLU HB3 H 2.0700 0.02 1 149 . 16 GLU CG C 36.6600 0.05 1 150 . 16 GLU HG2 H 2.4200 0.02 1 151 . 16 GLU HG3 H 2.3400 0.02 1 152 . 17 MET N N 121.0000 0.05 1 153 . 17 MET H H 7.6300 0.02 1 154 . 17 MET CA C 60.0300 0.05 1 155 . 17 MET HA H 3.9700 0.02 1 156 . 17 MET CB C 33.1500 0.05 1 157 . 17 MET HB2 H 2.0600 0.02 1 158 . 17 MET HB3 H 2.1500 0.02 1 159 . 17 MET CG C 33.7100 0.05 1 160 . 17 MET HG2 H 2.2400 0.02 1 161 . 17 MET HG3 H 2.4000 0.02 1 162 . 17 MET CE C 16.9100 0.05 1 163 . 17 MET HE H 1.6800 0.02 1 164 . 18 GLN N N 123.0300 0.05 1 165 . 18 GLN H H 8.5900 0.02 1 166 . 18 GLN CA C 60.3500 0.05 1 167 . 18 GLN HA H 3.8100 0.02 1 168 . 18 GLN CB C 29.1200 0.05 1 169 . 18 GLN HB2 H 2.0900 0.02 1 170 . 18 GLN HB3 H 1.9400 0.02 1 171 . 18 GLN CG C 34.9900 0.05 1 172 . 18 GLN HG2 H 2.1900 0.02 1 173 . 18 GLN HG3 H 2.4100 0.02 1 174 . 18 GLN NE2 N 111.1700 0.05 1 175 . 18 GLN HE21 H 6.7400 0.02 1 176 . 18 GLN HE22 H 7.0400 0.02 1 177 . 19 GLN N N 118.5600 0.05 1 178 . 19 GLN H H 7.9100 0.02 1 179 . 19 GLN CA C 59.3600 0.05 1 180 . 19 GLN HA H 3.9000 0.02 1 181 . 19 GLN CB C 27.9100 0.05 1 182 . 19 GLN HB2 H 2.1500 0.02 1 183 . 19 GLN CG C 33.9200 0.05 1 184 . 19 GLN HG2 H 2.4600 0.02 1 185 . 19 GLN NE2 N 112.9800 0.05 1 186 . 19 GLN HE21 H 6.8500 0.02 1 187 . 19 GLN HE22 H 7.6100 0.02 1 188 . 20 ASP N N 120.0400 0.05 1 189 . 20 ASP H H 7.9000 0.02 1 190 . 20 ASP CA C 57.8200 0.05 1 191 . 20 ASP HA H 4.6200 0.02 1 192 . 20 ASP CB C 41.2800 0.05 1 193 . 20 ASP HB2 H 2.8900 0.02 1 194 . 20 ASP HB3 H 2.7900 0.02 1 195 . 21 SER N N 118.8000 0.05 1 196 . 21 SER H H 8.5100 0.02 1 197 . 21 SER CA C 63.4700 0.05 1 198 . 21 SER HA H 4.0000 0.02 1 199 . 21 SER CB C 63.4700 0.05 1 200 . 21 SER HB2 H 3.8900 0.02 1 201 . 21 SER HB3 H 3.3800 0.02 1 202 . 22 VAL N N 122.0200 0.05 1 203 . 22 VAL H H 7.3600 0.02 1 204 . 22 VAL CA C 66.9300 0.05 1 205 . 22 VAL HA H 3.4500 0.02 1 206 . 22 VAL CB C 32.3600 0.05 1 207 . 22 VAL HB H 1.9800 0.02 1 208 . 22 VAL CG1 C 22.1500 0.05 1 209 . 22 VAL HG1 H 0.8200 0.02 1 210 . 22 VAL CG2 C 21.5600 0.05 1 211 . 22 VAL HG2 H 0.3600 0.02 1 212 . 23 GLU N N 124.0100 0.05 1 213 . 23 GLU H H 8.4700 0.02 1 214 . 23 GLU CA C 60.3700 0.05 1 215 . 23 GLU HA H 4.0800 0.02 1 216 . 23 GLU CB C 29.9900 0.05 1 217 . 23 GLU HB2 H 2.1900 0.02 1 218 . 23 GLU HB3 H 2.1900 0.02 1 219 . 23 GLU CG C 36.2300 0.05 1 220 . 23 GLU HG2 H 2.3800 0.02 1 221 . 23 GLU HG3 H 2.3800 0.02 1 222 . 24 CYS N N 120.6100 0.05 1 223 . 24 CYS H H 8.9100 0.02 1 224 . 24 CYS CA C 63.2700 0.05 1 225 . 24 CYS HA H 4.2600 0.02 1 226 . 24 CYS CB C 27.7300 0.05 1 227 . 24 CYS HB2 H 3.4300 0.02 1 228 . 24 CYS HB3 H 2.8400 0.02 1 229 . 25 ALA N N 120.4800 0.05 1 230 . 25 ALA H H 8.3700 0.02 1 231 . 25 ALA CA C 55.6000 0.05 1 232 . 25 ALA HA H 4.0400 0.02 1 233 . 25 ALA CB C 20.5000 0.05 1 234 . 25 ALA HB H 1.6300 0.02 1 235 . 26 THR N N 115.4500 0.05 1 236 . 26 THR H H 8.3800 0.02 1 237 . 26 THR CA C 68.1000 0.05 1 238 . 26 THR HA H 3.7700 0.02 1 239 . 26 THR CB C 68.9400 0.05 1 240 . 26 THR HB H 4.4700 0.02 1 241 . 26 THR CG2 C 21.5200 0.05 1 242 . 26 THR HG2 H 1.2400 0.02 1 243 . 27 GLN N N 120.7100 0.05 1 244 . 27 GLN H H 7.8400 0.02 1 245 . 27 GLN CA C 59.0900 0.05 1 246 . 27 GLN HA H 4.0000 0.02 1 247 . 27 GLN CB C 28.6700 0.05 1 248 . 27 GLN HB2 H 2.3000 0.02 1 249 . 27 GLN HB3 H 2.0800 0.02 1 250 . 27 GLN CG C 34.3600 0.05 1 251 . 27 GLN HG2 H 2.6000 0.02 1 252 . 27 GLN HG3 H 2.3800 0.02 1 253 . 27 GLN NE2 N 112.9200 0.05 1 254 . 27 GLN HE21 H 6.8500 0.02 1 255 . 27 GLN HE22 H 7.6800 0.02 1 256 . 28 ALA N N 122.6500 0.05 1 257 . 28 ALA H H 8.3100 0.02 1 258 . 28 ALA CA C 55.8500 0.05 1 259 . 28 ALA HA H 3.6500 0.02 1 260 . 28 ALA CB C 20.7300 0.05 1 261 . 28 ALA HB H 1.7300 0.02 1 262 . 29 LEU N N 117.4800 0.05 1 263 . 29 LEU H H 8.2400 0.02 1 264 . 29 LEU CA C 57.8200 0.05 1 265 . 29 LEU HA H 4.2300 0.02 1 266 . 29 LEU CB C 42.6100 0.05 1 267 . 29 LEU HB2 H 1.8500 0.02 1 268 . 29 LEU HB3 H 1.6400 0.02 1 269 . 29 LEU HG H 1.6400 0.02 1 270 . 29 LEU CD1 C 26.5400 0.05 1 271 . 29 LEU HD1 H 0.9100 0.02 1 272 . 29 LEU CD2 C 25.5800 0.05 1 273 . 29 LEU HD2 H 0.9500 0.02 1 274 . 30 GLU N N 116.7100 0.05 1 275 . 30 GLU H H 7.3200 0.02 1 276 . 30 GLU CA C 58.0400 0.05 1 277 . 30 GLU HA H 4.1100 0.02 1 278 . 30 GLU CB C 30.4600 0.05 1 279 . 30 GLU HB2 H 2.0200 0.02 1 280 . 30 GLU HB3 H 2.0800 0.02 1 281 . 30 GLU CG C 36.6600 0.05 1 282 . 30 GLU HG2 H 2.2400 0.02 1 283 . 30 GLU HG3 H 2.4500 0.02 1 284 . 31 LYS N N 118.1000 0.05 1 285 . 31 LYS H H 7.2100 0.02 1 286 . 31 LYS CA C 58.0000 0.05 1 287 . 31 LYS HA H 3.9400 0.02 1 288 . 31 LYS CB C 35.5400 0.05 1 289 . 31 LYS HB2 H 1.1500 0.02 1 290 . 31 LYS HB3 H 0.8800 0.02 1 291 . 31 LYS CG C 25.3000 0.05 1 292 . 31 LYS HG2 H 1.0500 0.02 1 293 . 31 LYS HG3 H 0.7300 0.02 1 294 . 31 LYS CD C 29.6300 0.05 1 295 . 31 LYS HD2 H 1.2500 0.02 1 296 . 31 LYS HE2 H 2.8000 0.02 1 297 . 32 TYR N N 117.4000 0.05 1 298 . 32 TYR H H 8.0700 0.02 1 299 . 32 TYR CA C 57.2100 0.05 1 300 . 32 TYR HA H 4.9000 0.02 1 301 . 32 TYR CB C 42.4500 0.05 1 302 . 32 TYR HB2 H 2.6600 0.02 1 303 . 32 TYR HB3 H 3.2300 0.02 1 304 . 32 TYR HD1 H 7.1700 0.02 1 305 . 32 TYR HD2 H 7.1700 0.02 1 306 . 32 TYR HE1 H 6.6900 0.02 1 307 . 32 TYR HE2 H 6.6900 0.02 1 308 . 33 ASN N N 114.5300 0.05 1 309 . 33 ASN H H 8.4100 0.02 1 310 . 33 ASN CA C 53.3700 0.05 1 311 . 33 ASN HA H 4.9100 0.02 1 312 . 33 ASN CB C 40.9500 0.05 1 313 . 33 ASN HB2 H 2.8500 0.02 1 314 . 33 ASN HB3 H 2.7800 0.02 1 315 . 33 ASN ND2 N 113.0400 0.05 1 316 . 33 ASN HD21 H 6.8300 0.02 1 317 . 33 ASN HD22 H 7.5400 0.02 1 318 . 34 ILE N N 121.5200 0.05 1 319 . 34 ILE H H 7.8300 0.02 1 320 . 34 ILE CA C 60.7300 0.05 1 321 . 34 ILE HA H 4.2400 0.02 1 322 . 34 ILE CB C 39.0500 0.05 1 323 . 34 ILE HB H 2.1400 0.02 1 324 . 34 ILE CG1 C 27.9000 0.05 1 325 . 34 ILE HG12 H 1.6500 0.02 1 326 . 34 ILE HG13 H 1.3900 0.02 1 327 . 34 ILE CG2 C 19.0800 0.05 1 328 . 34 ILE HG2 H 1.1000 0.02 1 329 . 34 ILE CD1 C 12.5600 0.05 1 330 . 34 ILE HD1 H 0.9600 0.02 1 331 . 35 GLU N N 130.3600 0.05 1 332 . 35 GLU H H 10.4200 0.02 1 333 . 35 GLU CA C 62.9600 0.05 1 334 . 35 GLU HA H 3.7100 0.02 1 335 . 35 GLU CB C 29.1100 0.05 1 336 . 35 GLU HB2 H 2.0800 0.02 1 337 . 35 GLU HB3 H 2.1400 0.02 1 338 . 35 GLU HG2 H 2.5700 0.02 1 339 . 35 GLU HG3 H 2.3600 0.02 1 340 . 36 LYS N N 117.0700 0.05 1 341 . 36 LYS H H 8.7100 0.02 1 342 . 36 LYS CA C 60.2600 0.05 1 343 . 36 LYS HA H 3.8700 0.02 1 344 . 36 LYS CB C 32.1700 0.05 1 345 . 36 LYS HB2 H 2.1500 0.02 1 346 . 36 LYS HB3 H 1.7600 0.02 1 347 . 36 LYS CG C 24.6100 0.05 1 348 . 36 LYS HG2 H 1.6000 0.02 1 349 . 36 LYS HG3 H 1.4900 0.02 1 350 . 36 LYS HD2 H 1.7100 0.02 1 351 . 36 LYS HE2 H 3.0800 0.02 1 352 . 37 ASP N N 120.6100 0.05 1 353 . 37 ASP H H 6.9200 0.02 1 354 . 37 ASP CA C 56.9500 0.05 1 355 . 37 ASP HA H 4.2000 0.02 1 356 . 37 ASP CB C 40.3500 0.05 1 357 . 37 ASP HB2 H 2.6600 0.02 1 358 . 37 ASP HB3 H 1.9600 0.02 1 359 . 38 ILE N N 123.1300 0.05 1 360 . 38 ILE H H 7.5800 0.02 1 361 . 38 ILE CA C 66.0000 0.05 1 362 . 38 ILE HA H 3.4500 0.02 1 363 . 38 ILE CB C 38.9200 0.05 1 364 . 38 ILE HB H 1.8600 0.02 1 365 . 38 ILE CG1 C 30.6900 0.05 1 366 . 38 ILE HG12 H 1.6500 0.02 1 367 . 38 ILE CG2 C 18.8000 0.05 1 368 . 38 ILE HG2 H 0.8800 0.02 1 369 . 38 ILE CD1 C 14.6300 0.05 1 370 . 38 ILE HD1 H 0.7400 0.02 1 371 . 39 ALA N N 119.7400 0.05 1 372 . 39 ALA H H 8.1400 0.02 1 373 . 39 ALA CA C 55.1400 0.05 1 374 . 39 ALA HA H 3.9600 0.02 1 375 . 39 ALA CB C 18.2100 0.05 1 376 . 39 ALA HB H 1.2700 0.02 1 377 . 40 ALA N N 119.3000 0.05 1 378 . 40 ALA H H 7.8300 0.02 1 379 . 40 ALA CA C 55.3600 0.05 1 380 . 40 ALA HA H 3.3700 0.02 1 381 . 40 ALA CB C 18.6200 0.05 1 382 . 40 ALA HB H 0.8300 0.02 1 383 . 41 HIS N N 116.9400 0.05 1 384 . 41 HIS H H 7.4000 0.02 1 385 . 41 HIS CA C 60.8500 0.05 1 386 . 41 HIS HA H 3.9500 0.02 1 387 . 41 HIS CB C 31.9200 0.05 1 388 . 41 HIS HB2 H 3.2800 0.02 1 389 . 41 HIS HB3 H 3.1200 0.02 1 390 . 41 HIS HD2 H 6.7900 0.02 1 391 . 41 HIS HE1 H 7.8800 0.02 1 392 . 42 ILE N N 117.0700 0.05 1 393 . 42 ILE H H 7.4800 0.02 1 394 . 42 ILE CA C 65.3600 0.05 1 395 . 42 ILE HA H 3.6800 0.02 1 396 . 42 ILE CB C 38.9300 0.05 1 397 . 42 ILE HB H 1.9600 0.02 1 398 . 42 ILE CG1 C 29.2000 0.05 1 399 . 42 ILE HG12 H 2.0700 0.02 1 400 . 42 ILE CG2 C 19.7000 0.05 1 401 . 42 ILE HG2 H 0.6900 0.02 1 402 . 42 ILE CD1 C 15.6700 0.05 1 403 . 42 ILE HD1 H 0.7900 0.02 1 404 . 43 LYS N N 118.8400 0.05 1 405 . 43 LYS H H 8.1700 0.02 1 406 . 43 LYS CA C 61.5200 0.05 1 407 . 43 LYS HA H 3.4400 0.02 1 408 . 43 LYS CB C 36.4000 0.05 1 409 . 43 LYS HB2 H 1.8600 0.02 1 410 . 43 LYS HB3 H 2.1400 0.02 1 411 . 43 LYS CG C 27.6100 0.05 1 412 . 43 LYS HG2 H 1.4200 0.02 1 413 . 43 LYS HG3 H 1.5800 0.02 1 414 . 44 LYS N N 117.8300 0.05 1 415 . 44 LYS H H 8.3800 0.02 1 416 . 44 LYS CA C 60.4600 0.05 1 417 . 44 LYS HA H 3.8900 0.02 1 418 . 44 LYS CB C 32.9300 0.05 1 419 . 44 LYS HB2 H 1.7900 0.02 1 420 . 44 LYS HB3 H 1.7100 0.02 1 421 . 44 LYS CG C 26.9600 0.05 1 422 . 44 LYS HG2 H 1.4000 0.02 1 423 . 44 LYS HE2 H 2.8400 0.02 1 424 . 45 GLU N N 120.1900 0.05 1 425 . 45 GLU H H 7.8600 0.02 1 426 . 45 GLU CA C 59.2000 0.05 1 427 . 45 GLU HA H 3.9000 0.02 1 428 . 45 GLU CB C 29.9500 0.05 1 429 . 45 GLU HB2 H 1.8200 0.02 1 430 . 45 GLU HB3 H 2.0300 0.02 1 431 . 45 GLU CG C 36.6600 0.05 1 432 . 45 GLU HG2 H 2.3800 0.02 1 433 . 45 GLU HG3 H 2.4200 0.02 1 434 . 46 PHE N N 123.7800 0.05 1 435 . 46 PHE H H 8.4400 0.02 1 436 . 46 PHE CA C 63.9300 0.05 1 437 . 46 PHE HA H 3.6600 0.02 1 438 . 46 PHE CB C 36.0500 0.05 1 439 . 46 PHE HB2 H 2.6100 0.02 1 440 . 46 PHE HB3 H 0.7300 0.02 1 441 . 46 PHE HD1 H 5.8400 0.02 1 442 . 46 PHE HD2 H 5.8400 0.02 1 443 . 46 PHE HE1 H 6.6300 0.02 1 444 . 46 PHE HE2 H 6.6300 0.02 1 445 . 46 PHE HZ H 6.9800 0.02 1 446 . 47 ASP N N 120.7000 0.05 1 447 . 47 ASP H H 8.5200 0.02 1 448 . 47 ASP CA C 57.7900 0.05 1 449 . 47 ASP HA H 4.3200 0.02 1 450 . 47 ASP CB C 40.5700 0.05 1 451 . 47 ASP HB2 H 2.7900 0.02 1 452 . 47 ASP HB3 H 2.5400 0.02 1 453 . 48 LYS N N 117.8100 0.05 1 454 . 48 LYS H H 7.2100 0.02 1 455 . 48 LYS CA C 59.3800 0.05 1 456 . 48 LYS HA H 3.9700 0.02 1 457 . 48 LYS CB C 33.1700 0.05 1 458 . 48 LYS HB2 H 1.8000 0.02 1 459 . 48 LYS CG C 25.0000 0.05 1 460 . 48 LYS HG2 H 1.4600 0.02 1 461 . 48 LYS HG3 H 1.2500 0.02 1 462 . 48 LYS CD C 29.6000 0.05 1 463 . 48 LYS HD2 H 1.6300 0.02 1 464 . 48 LYS HE2 H 2.8400 0.02 1 465 . 49 LYS N N 118.3300 0.05 1 466 . 49 LYS H H 7.9900 0.02 1 467 . 49 LYS CA C 59.4000 0.05 1 468 . 49 LYS HA H 3.7600 0.02 1 469 . 49 LYS CB C 34.4600 0.05 1 470 . 49 LYS HB2 H 1.1100 0.02 1 471 . 49 LYS HB3 H 0.7000 0.02 1 472 . 49 LYS CG C 25.3000 0.05 1 473 . 49 LYS HG2 H 0.9100 0.02 1 474 . 49 LYS HG3 H 0.2700 0.02 1 475 . 49 LYS CD C 29.5700 0.05 1 476 . 49 LYS HD2 H 1.1900 0.02 1 477 . 49 LYS HD3 H 1.6000 0.02 1 478 . 49 LYS HE2 H 2.6000 0.02 1 479 . 49 LYS HE3 H 2.5400 0.02 1 480 . 50 TYR N N 115.6600 0.05 1 481 . 50 TYR H H 8.4400 0.02 1 482 . 50 TYR CA C 58.3900 0.05 1 483 . 50 TYR HA H 4.8800 0.02 1 484 . 50 TYR CB C 40.7000 0.05 1 485 . 50 TYR HB2 H 3.9100 0.02 1 486 . 50 TYR HB3 H 2.7800 0.02 1 487 . 50 TYR HD1 H 6.5100 0.02 1 488 . 50 TYR HD2 H 6.5100 0.02 1 489 . 50 TYR HE1 H 6.2200 0.02 1 490 . 50 TYR HE2 H 6.2200 0.02 1 491 . 51 ASN N N 113.3800 0.05 1 492 . 51 ASN H H 6.9400 0.02 1 493 . 51 ASN CA C 55.7700 0.05 1 494 . 51 ASN HA H 4.9100 0.02 1 495 . 51 ASN CB C 37.0000 0.05 1 496 . 51 ASN HB2 H 3.7000 0.02 1 497 . 51 ASN HB3 H 2.9000 0.02 1 498 . 51 ASN ND2 N 113.5500 0.05 1 499 . 51 ASN HD21 H 6.9700 0.02 1 500 . 51 ASN HD22 H 7.5800 0.02 1 501 . 52 PRO CA C 60.9200 0.05 1 502 . 52 PRO HA H 5.1800 0.02 1 503 . 52 PRO CB C 32.7300 0.05 1 504 . 52 PRO HB2 H 2.2100 0.02 1 505 . 52 PRO HB3 H 2.0300 0.02 1 506 . 52 PRO CG C 28.4500 0.05 1 507 . 52 PRO HG2 H 1.8900 0.02 1 508 . 52 PRO HG3 H 2.0200 0.02 1 509 . 52 PRO CD C 26.9600 0.05 1 510 . 52 PRO HD2 H 3.5700 0.02 1 511 . 52 PRO HD3 H 3.8700 0.02 1 512 . 53 THR N N 121.3900 0.05 1 513 . 53 THR H H 7.9600 0.02 1 514 . 53 THR CA C 65.2700 0.05 1 515 . 53 THR HA H 3.7500 0.02 1 516 . 53 THR CB C 69.9500 0.05 1 517 . 53 THR HB H 3.7900 0.02 1 518 . 53 THR CG2 C 23.1200 0.05 1 519 . 53 THR HG2 H 0.9300 0.02 1 520 . 54 TRP N N 128.1500 0.05 1 521 . 54 TRP H H 9.4500 0.02 1 522 . 54 TRP CA C 56.3600 0.05 1 523 . 54 TRP HA H 4.7200 0.02 1 524 . 54 TRP CB C 30.2600 0.05 1 525 . 54 TRP HB2 H 3.0500 0.02 1 526 . 54 TRP HB3 H 2.3400 0.02 1 527 . 54 TRP HD1 H 8.0900 0.02 1 528 . 54 TRP HE3 H 7.2400 0.02 1 529 . 54 TRP HZ2 H 7.4300 0.02 1 530 . 54 TRP HZ3 H 6.6100 0.02 1 531 . 54 TRP HH2 H 7.3100 0.02 1 532 . 54 TRP NE1 N 130.3900 0.05 1 533 . 54 TRP HE1 H 9.0700 0.02 1 534 . 55 HIS N N 119.0800 0.05 1 535 . 55 HIS H H 8.5500 0.02 1 536 . 55 HIS CA C 55.4000 0.05 1 537 . 55 HIS HA H 4.8300 0.02 1 538 . 55 HIS CB C 34.6200 0.05 1 539 . 55 HIS HB2 H 2.5500 0.02 1 540 . 55 HIS HB3 H 1.7400 0.02 1 541 . 55 HIS HD2 H 5.8900 0.02 1 542 . 55 HIS HE1 H 8.4700 0.02 1 543 . 56 CYS N N 121.0500 0.05 1 544 . 56 CYS H H 8.2600 0.02 1 545 . 56 CYS CA C 57.0500 0.05 1 546 . 56 CYS HA H 5.8400 0.02 1 547 . 56 CYS CB C 31.4300 0.05 1 548 . 56 CYS HB2 H 2.5200 0.02 1 549 . 56 CYS HB3 H 2.8000 0.02 1 550 . 57 ILE N N 132.8700 0.05 1 551 . 57 ILE H H 9.3500 0.02 1 552 . 57 ILE CA C 60.2700 0.05 1 553 . 57 ILE HA H 4.5400 0.02 1 554 . 57 ILE CB C 40.0900 0.05 1 555 . 57 ILE HB H 1.6100 0.02 1 556 . 57 ILE CG1 C 29.9500 0.05 1 557 . 57 ILE HG12 H 1.1300 0.02 1 558 . 57 ILE HG13 H 1.3200 0.02 1 559 . 57 ILE CG2 C 19.2800 0.05 1 560 . 57 ILE HG2 H -0.2100 0.02 1 561 . 57 ILE CD1 C 13.7400 0.05 1 562 . 57 ILE HD1 H 0.7400 0.02 1 563 . 58 VAL N N 125.1200 0.05 1 564 . 58 VAL H H 8.3100 0.02 1 565 . 58 VAL CA C 59.9800 0.05 1 566 . 58 VAL HA H 5.3700 0.02 1 567 . 58 VAL CB C 36.9000 0.05 1 568 . 58 VAL HB H 1.7200 0.02 1 569 . 58 VAL CG1 C 22.5400 0.05 1 570 . 58 VAL HG1 H 0.8500 0.02 1 571 . 58 VAL CG2 C 21.4700 0.05 1 572 . 58 VAL HG2 H 0.7800 0.02 1 573 . 59 GLY N N 113.0200 0.05 1 574 . 59 GLY H H 9.6200 0.02 1 575 . 59 GLY CA C 47.0800 0.05 1 576 . 59 GLY HA2 H 4.8170 0.02 1 577 . 59 GLY HA3 H 4.5100 0.02 1 578 . 60 ARG N N 119.7500 0.05 1 579 . 60 ARG H H 8.8500 0.02 1 580 . 60 ARG CA C 57.5200 0.05 1 581 . 60 ARG HA H 4.8300 0.02 1 582 . 60 ARG CB C 32.3800 0.05 1 583 . 60 ARG HB2 H 2.1200 0.02 1 584 . 60 ARG HB3 H 1.7900 0.02 1 585 . 60 ARG HG2 H 1.4800 0.02 1 586 . 60 ARG HG3 H 1.5900 0.02 1 587 . 60 ARG HD2 H 3.2300 0.02 1 588 . 60 ARG HD3 H 3.2300 0.02 1 589 . 61 ASN N N 117.0100 0.05 1 590 . 61 ASN H H 8.8700 0.02 1 591 . 61 ASN CA C 55.1200 0.05 1 592 . 61 ASN HA H 5.0300 0.02 1 593 . 61 ASN CB C 41.8800 0.05 1 594 . 61 ASN HB2 H 2.9400 0.02 1 595 . 61 ASN HB3 H 2.8600 0.02 1 596 . 61 ASN ND2 N 113.3900 0.05 1 597 . 61 ASN HD21 H 7.1100 0.02 1 598 . 61 ASN HD22 H 7.8600 0.02 1 599 . 62 PHE N N 119.5800 0.05 1 600 . 62 PHE H H 7.9900 0.02 1 601 . 62 PHE CA C 57.9300 0.05 1 602 . 62 PHE HA H 5.2900 0.02 1 603 . 62 PHE CB C 40.4200 0.05 1 604 . 62 PHE HB2 H 3.1100 0.02 1 605 . 62 PHE HB3 H 2.3900 0.02 1 606 . 62 PHE HD1 H 6.6100 0.02 1 607 . 62 PHE HD2 H 6.6100 0.02 1 608 . 62 PHE HE1 H 7.1000 0.02 1 609 . 62 PHE HE2 H 7.1000 0.02 1 610 . 62 PHE HZ H 6.8900 0.02 1 611 . 63 GLY N N 108.4500 0.05 1 612 . 63 GLY H H 9.5600 0.02 1 613 . 63 GLY CA C 44.0200 0.05 1 614 . 63 GLY HA2 H 4.5900 0.02 1 615 . 63 GLY HA3 H 3.3800 0.02 1 616 . 64 SER N N 112.1900 0.05 1 617 . 64 SER H H 8.2000 0.02 1 618 . 64 SER CA C 57.6100 0.05 1 619 . 64 SER HA H 5.2500 0.02 1 620 . 64 SER CB C 68.5900 0.05 1 621 . 64 SER HB2 H 3.5800 0.02 1 622 . 65 TYR N N 122.9300 0.05 1 623 . 65 TYR H H 8.8100 0.02 1 624 . 65 TYR CA C 61.0000 0.05 1 625 . 65 TYR HA H 4.4200 0.02 1 626 . 65 TYR CB C 39.8000 0.05 1 627 . 65 TYR HB2 H 2.6700 0.02 1 628 . 65 TYR HB3 H 2.8750 0.02 1 629 . 65 TYR HD1 H 6.9600 0.02 1 630 . 65 TYR HD2 H 6.9600 0.02 1 631 . 65 TYR HE1 H 6.7300 0.02 1 632 . 65 TYR HE2 H 6.7300 0.02 1 633 . 66 VAL N N 120.2800 0.05 1 634 . 66 VAL H H 8.0000 0.02 1 635 . 66 VAL CA C 57.7000 0.05 1 636 . 66 VAL HA H 5.0500 0.02 1 637 . 66 VAL CB C 34.0500 0.05 1 638 . 66 VAL HB H 2.2700 0.02 1 639 . 66 VAL CG1 C 21.2500 0.05 1 640 . 66 VAL HG1 H 0.5600 0.02 1 641 . 66 VAL CG2 C 17.2200 0.05 1 642 . 66 VAL HG2 H -0.1100 0.02 1 643 . 67 THR N N 121.9300 0.05 1 644 . 67 THR H H 9.1800 0.02 1 645 . 67 THR CA C 64.8000 0.05 1 646 . 67 THR HA H 4.4600 0.02 1 647 . 67 THR CB C 70.6400 0.05 1 648 . 67 THR HB H 3.5900 0.02 1 649 . 67 THR CG2 C 22.4400 0.05 1 650 . 67 THR HG2 H 1.1300 0.02 1 651 . 68 HIS N N 123.8900 0.05 1 652 . 68 HIS H H 9.1700 0.02 1 653 . 68 HIS CA C 59.7000 0.05 1 654 . 68 HIS HA H 4.0800 0.02 1 655 . 68 HIS CB C 30.5000 0.05 1 656 . 68 HIS HB3 H 2.9900 0.02 1 657 . 68 HIS HB2 H 3.6700 0.02 1 658 . 68 HIS HD2 H 6.8600 0.02 1 659 . 68 HIS HE1 H 8.4700 0.02 1 660 . 69 GLU N N 117.0000 0.05 1 661 . 69 GLU H H 8.2800 0.02 1 662 . 69 GLU CA C 55.5000 0.05 1 663 . 69 GLU HA H 4.5800 0.02 1 664 . 69 GLU CB C 30.0000 0.05 1 665 . 69 GLU HB2 H 1.7140 0.02 1 666 . 69 GLU HB3 H 1.8440 0.02 1 667 . 69 GLU HG2 H 2.1900 0.02 1 668 . 69 GLU HG3 H 2.3600 0.02 1 669 . 70 THR N N 121.5700 0.05 1 670 . 70 THR H H 8.2100 0.02 1 671 . 70 THR CA C 60.0000 0.05 1 672 . 70 THR HA H 4.7100 0.02 1 673 . 70 THR CB C 64.0500 0.05 1 674 . 70 THR HB H 4.2900 0.02 1 675 . 70 THR CG2 C 22.1400 0.05 1 676 . 70 THR HG2 H 1.3300 0.02 1 677 . 71 LYS N N 123.7600 0.05 1 678 . 71 LYS H H 8.5200 0.02 1 679 . 71 LYS CA C 61.5000 0.05 1 680 . 71 LYS HA H 3.6700 0.02 1 681 . 71 LYS CB C 39.5000 0.05 1 682 . 71 LYS HB2 H 1.5900 0.02 1 683 . 71 LYS HB3 H 1.7300 0.02 1 684 . 71 LYS HG2 H 1.4600 0.02 1 685 . 71 LYS HE2 H 3.0000 0.02 1 686 . 72 HIS CA C 59.6000 0.05 1 687 . 72 HIS HA H 5.1100 0.02 1 688 . 72 HIS CB C 30.5000 0.05 1 689 . 72 HIS HB2 H 2.1600 0.02 1 690 . 72 HIS HB3 H 2.9100 0.02 1 691 . 73 PHE N N 121.4700 0.05 1 692 . 73 PHE H H 8.1700 0.02 1 693 . 73 PHE CA C 58.6100 0.05 1 694 . 73 PHE HA H 5.2400 0.02 1 695 . 73 PHE HB2 H 2.0500 0.02 1 696 . 73 PHE HB3 H 2.3700 0.02 1 697 . 73 PHE HD1 H 6.5700 0.02 1 698 . 73 PHE HD2 H 6.5700 0.02 1 699 . 73 PHE HE1 H 6.7000 0.02 1 700 . 73 PHE HE2 H 6.7000 0.02 1 701 . 73 PHE HZ H 6.8900 0.02 1 702 . 74 ILE N N 129.5400 0.05 1 703 . 74 ILE H H 8.7500 0.02 1 704 . 74 ILE CA C 62.4000 0.05 1 705 . 74 ILE HA H 4.4200 0.02 1 706 . 74 ILE CB C 41.1000 0.05 1 707 . 74 ILE HB H 2.2800 0.02 1 708 . 74 ILE CG1 C 22.8600 0.05 1 709 . 74 ILE HG12 H 1.3400 0.02 1 710 . 74 ILE HG13 H 1.6800 0.02 1 711 . 74 ILE CG2 C 15.9000 0.05 1 712 . 74 ILE HG2 H 1.0500 0.02 1 713 . 74 ILE CD1 C 14.2000 0.05 1 714 . 74 ILE HD1 H 0.6700 0.02 1 715 . 75 TYR N N 127.0300 0.05 1 716 . 75 TYR H H 8.3100 0.02 1 717 . 75 TYR CA C 54.8200 0.05 1 718 . 75 TYR HA H 5.9800 0.02 1 719 . 75 TYR CB C 41.4400 0.05 1 720 . 75 TYR HB2 H 3.0500 0.02 1 721 . 75 TYR HB3 H 2.8900 0.02 1 722 . 75 TYR HD1 H 7.1700 0.02 1 723 . 75 TYR HD2 H 7.1700 0.02 1 724 . 75 TYR HE1 H 6.5500 0.02 1 725 . 75 TYR HE2 H 6.5500 0.02 1 726 . 76 PHE N N 125.3300 0.05 1 727 . 76 PHE H H 9.3300 0.02 1 728 . 76 PHE CA C 55.3500 0.05 1 729 . 76 PHE HA H 5.2200 0.02 1 730 . 76 PHE CB C 43.5700 0.05 1 731 . 76 PHE HB2 H 3.0300 0.02 1 732 . 76 PHE HB3 H 2.9300 0.02 1 733 . 76 PHE HD1 H 6.9600 0.02 1 734 . 76 PHE HD2 H 6.9600 0.02 1 735 . 76 PHE HE1 H 6.8700 0.02 1 736 . 76 PHE HE2 H 6.8700 0.02 1 737 . 76 PHE HZ H 7.1100 0.02 1 738 . 77 TYR N N 118.5800 0.05 1 739 . 77 TYR H H 9.1800 0.02 1 740 . 77 TYR CA C 56.3500 0.05 1 741 . 77 TYR HA H 5.3200 0.02 1 742 . 77 TYR CB C 42.0400 0.05 1 743 . 77 TYR HB2 H 3.0200 0.02 1 744 . 77 TYR HB3 H 2.8000 0.02 1 745 . 77 TYR HD1 H 6.7900 0.02 1 746 . 77 TYR HD2 H 6.7900 0.02 1 747 . 77 TYR HE1 H 6.6100 0.02 1 748 . 77 TYR HE2 H 6.6100 0.02 1 749 . 78 LEU N N 122.9300 0.05 1 750 . 78 LEU H H 8.8100 0.02 1 751 . 78 LEU CA C 54.2400 0.05 1 752 . 78 LEU HA H 4.6800 0.02 1 753 . 78 LEU CB C 43.6300 0.05 1 754 . 78 LEU HB2 H 1.4200 0.02 1 755 . 78 LEU HB3 H 1.5300 0.02 1 756 . 78 LEU CG C 27.7700 0.05 1 757 . 78 LEU HG H 1.6200 0.02 1 758 . 78 LEU CD1 C 27.0800 0.05 1 759 . 78 LEU HD1 H 0.9500 0.02 1 760 . 78 LEU CD2 C 25.3000 0.05 1 761 . 78 LEU HD2 H 1.0100 0.02 1 762 . 79 GLY N N 114.9100 0.05 1 763 . 79 GLY H H 8.8600 0.02 1 764 . 79 GLY CA C 47.4400 0.05 1 765 . 79 GLY HA2 H 4.0500 0.02 1 766 . 79 GLY HA3 H 3.6900 0.02 1 767 . 80 GLN N N 125.2500 0.05 1 768 . 80 GLN H H 8.9800 0.02 1 769 . 80 GLN CA C 56.5700 0.05 1 770 . 80 GLN HA H 4.4400 0.02 1 771 . 80 GLN CB C 30.1000 0.05 1 772 . 80 GLN HB2 H 2.4600 0.02 1 773 . 80 GLN HB3 H 1.9700 0.02 1 774 . 80 GLN HG2 H 2.4100 0.02 1 775 . 80 GLN NE2 N 112.2800 0.05 1 776 . 80 GLN HE21 H 6.7000 0.02 1 777 . 80 GLN HE22 H 7.6300 0.02 1 778 . 81 VAL N N 119.0200 0.05 1 779 . 81 VAL H H 7.7400 0.02 1 780 . 81 VAL CA C 62.8800 0.05 1 781 . 81 VAL HA H 3.8800 0.02 1 782 . 81 VAL CB C 33.7300 0.05 1 783 . 81 VAL HB H 2.1500 0.02 1 784 . 81 VAL CG1 C 22.0100 0.05 1 785 . 81 VAL HG1 H 0.8200 0.02 1 786 . 81 VAL CG2 C 21.4900 0.05 1 787 . 81 VAL HG2 H 0.9400 0.02 1 788 . 82 ALA N N 129.2200 0.05 1 789 . 82 ALA H H 8.4100 0.02 1 790 . 82 ALA CA C 50.9200 0.05 1 791 . 82 ALA HA H 4.3100 0.02 1 792 . 82 ALA CB C 21.1800 0.05 1 793 . 82 ALA HB H 0.7500 0.02 1 794 . 83 ILE N N 120.6900 0.05 1 795 . 83 ILE H H 8.8600 0.02 1 796 . 83 ILE CA C 61.0000 0.05 1 797 . 83 ILE HA H 4.7400 0.02 1 798 . 83 ILE CB C 40.0400 0.05 1 799 . 83 ILE HB H 0.2200 0.02 1 800 . 83 ILE CG1 C 29.3400 0.05 1 801 . 83 ILE HG12 H 0.7300 0.02 1 802 . 83 ILE HG13 H 1.1300 0.02 1 803 . 83 ILE CG2 C 20.0000 0.05 1 804 . 83 ILE HG2 H 0.3800 0.02 1 805 . 83 ILE CD1 C 15.4200 0.05 1 806 . 83 ILE HD1 H 0.4000 0.02 1 807 . 84 LEU N N 128.5700 0.05 1 808 . 84 LEU H H 9.2700 0.02 1 809 . 84 LEU CA C 53.8100 0.05 1 810 . 84 LEU HA H 5.3400 0.02 1 811 . 84 LEU CB C 46.5100 0.05 1 812 . 84 LEU HB2 H 1.4400 0.02 1 813 . 84 LEU HB3 H 2.0000 0.02 1 814 . 84 LEU HG H 1.6200 0.02 1 815 . 84 LEU CD1 C 24.9800 0.05 1 816 . 84 LEU HD1 H 0.8000 0.02 1 817 . 84 LEU CD2 C 27.2000 0.05 1 818 . 84 LEU HD2 H 0.8500 0.02 1 819 . 85 LEU N N 130.9300 0.05 1 820 . 85 LEU H H 8.8600 0.02 1 821 . 85 LEU CA C 54.3500 0.05 1 822 . 85 LEU HA H 5.6200 0.02 1 823 . 85 LEU CB C 46.8900 0.05 1 824 . 85 LEU HB2 H 1.0700 0.02 1 825 . 85 LEU HB3 H 1.9000 0.02 1 826 . 85 LEU CG C 27.8000 0.05 1 827 . 85 LEU HG H 1.4000 0.02 1 828 . 85 LEU CD1 C 23.0800 0.05 1 829 . 85 LEU HD1 H 0.7000 0.02 1 830 . 85 LEU CD2 C 24.3600 0.05 1 831 . 85 LEU HD2 H -0.4400 0.02 1 832 . 86 PHE N N 121.1100 0.05 1 833 . 86 PHE H H 8.8000 0.02 1 834 . 86 PHE CA C 56.5600 0.05 1 835 . 86 PHE HA H 5.7600 0.02 1 836 . 86 PHE CB C 42.6000 0.05 1 837 . 86 PHE HB2 H 3.4400 0.02 1 838 . 86 PHE HB3 H 3.3500 0.02 1 839 . 86 PHE HD1 H 6.6100 0.02 1 840 . 86 PHE HD2 H 6.6100 0.02 1 841 . 86 PHE HE1 H 6.9900 0.02 1 842 . 86 PHE HE2 H 6.9900 0.02 1 843 . 87 LYS N N 121.3000 0.05 1 844 . 87 LYS H H 7.7300 0.02 1 845 . 87 LYS CA C 54.5600 0.05 1 846 . 87 LYS HA H 4.5300 0.02 1 847 . 87 LYS CB C 36.1900 0.05 1 848 . 87 LYS HB2 H 1.1600 0.02 1 849 . 87 LYS HB3 H -0.1500 0.02 4 850 . 87 LYS CG C 24.4000 0.05 1 851 . 87 LYS HG2 H 0.2800 0.02 1 852 . 87 LYS HG3 H -0.1500 0.02 4 853 . 87 LYS HD2 H 0.6900 0.02 1 854 . 87 LYS HD3 H 0.6900 0.02 1 855 . 87 LYS HE2 H 2.3700 0.02 1 856 . 87 LYS HE3 H 2.3700 0.02 1 857 . 88 SER N N 118.7600 0.05 1 858 . 88 SER H H 8.8200 0.02 1 859 . 88 SER CA C 59.9100 0.05 1 860 . 88 SER HA H 4.6500 0.02 1 861 . 88 SER CB C 64.3000 0.05 1 862 . 88 SER HB2 H 3.8100 0.02 1 863 . 88 SER HB3 H 4.1800 0.02 1 864 . 89 GLY N N 123.5700 0.05 1 865 . 89 GLY H H 8.5800 0.02 1 866 . 89 GLY CA C 46.4500 0.05 1 867 . 89 GLY HA2 H 3.8300 0.02 1 868 . 89 GLY HA3 H 3.5600 0.02 1 stop_ save_