data_15370 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; solution structure of the atypical PDZ-like domain of synbindin ; _BMRB_accession_number 15370 _BMRB_flat_file_name bmr15370.str _Entry_type original _Submission_date 2007-07-10 _Accession_date 2007-07-10 _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 Feng Yingang . . 2 Fan Shilong . . 3 Gong Weimin . . 4 Xia Bin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 425 "13C chemical shifts" 328 "15N chemical shifts" 76 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-11-17 update author 'update entry citation' 2009-04-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of Synbindin Atypical PDZ Domain and Interaction with Syndecan-2' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19200043 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fan Shilong . . 2 Feng Yingang . . 3 Wei Zhiyi . . 4 Xia Bin . . 5 Gong Weimin . . stop_ _Journal_abbreviation 'Protein Pept. Lett.' _Journal_name_full 'Protein and Peptide Letters' _Journal_volume 16 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 189 _Page_last 195 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'apd monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'apd monomer' $apd 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_apd _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common apd _Molecular_mass 10825.348 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; MGHHHHHHLDSYAPRAEAEK TFSYPLDLLLKLHDERVLVA FGQRDGIRVGHAVLAINGMD VNGRYTADGKEVLEYLGNPA NYPVSIRFGRPRLTSN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 LEU 10 ASP 11 SER 12 TYR 13 ALA 14 PRO 15 ARG 16 ALA 17 GLU 18 ALA 19 GLU 20 LYS 21 THR 22 PHE 23 SER 24 TYR 25 PRO 26 LEU 27 ASP 28 LEU 29 LEU 30 LEU 31 LYS 32 LEU 33 HIS 34 ASP 35 GLU 36 ARG 37 VAL 38 LEU 39 VAL 40 ALA 41 PHE 42 GLY 43 GLN 44 ARG 45 ASP 46 GLY 47 ILE 48 ARG 49 VAL 50 GLY 51 HIS 52 ALA 53 VAL 54 LEU 55 ALA 56 ILE 57 ASN 58 GLY 59 MET 60 ASP 61 VAL 62 ASN 63 GLY 64 ARG 65 TYR 66 THR 67 ALA 68 ASP 69 GLY 70 LYS 71 GLU 72 VAL 73 LEU 74 GLU 75 TYR 76 LEU 77 GLY 78 ASN 79 PRO 80 ALA 81 ASN 82 TYR 83 PRO 84 VAL 85 SER 86 ILE 87 ARG 88 PHE 89 GLY 90 ARG 91 PRO 92 ARG 93 LEU 94 THR 95 SER 96 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2J3T "The Crystal Structure Of The Bet3-Trs33-Bet5-Trs23 Complex." 93.75 219 97.78 98.89 4.67e-56 PDB 2JSN "Solution Structure Of The Atypical Pdz-Like Domain Of Synbindin" 100.00 96 100.00 100.00 1.30e-62 PDB 2ZMV "Crystal Structure Of Synbindin" 93.75 227 97.78 98.89 2.16e-55 DBJ BAF83209 "unnamed protein product [Homo sapiens]" 93.75 219 97.78 98.89 4.67e-56 EMBL CAH91561 "hypothetical protein [Pongo abelii]" 93.75 219 97.78 98.89 4.67e-56 GB AAD34099 "CGI-104 protein [Homo sapiens]" 93.75 219 97.78 98.89 4.67e-56 GB AAD44494 "PTD009 [Homo sapiens]" 93.75 219 97.78 98.89 4.67e-56 GB AAF21897 "unknown [Homo sapiens]" 93.75 219 97.78 98.89 4.67e-56 GB AAF29135 "HSPC172 [Homo sapiens]" 93.75 219 97.78 98.89 4.67e-56 GB AAH10866 "TRAPPC4 protein [Homo sapiens]" 93.75 219 97.78 98.89 4.67e-56 REF NP_001125918 "trafficking protein particle complex subunit 4 [Pongo abelii]" 93.75 219 97.78 98.89 4.67e-56 REF NP_057230 "trafficking protein particle complex subunit 4 [Homo sapiens]" 93.75 219 97.78 98.89 4.67e-56 REF XP_003253306 "PREDICTED: trafficking protein particle complex subunit 4 isoform X1 [Nomascus leucogenys]" 93.75 219 97.78 98.89 4.67e-56 REF XP_003472832 "PREDICTED: trafficking protein particle complex subunit 4 [Cavia porcellus]" 90.63 219 97.70 100.00 8.73e-54 REF XP_003820075 "PREDICTED: trafficking protein particle complex subunit 4 [Pan paniscus]" 93.75 219 97.78 98.89 4.67e-56 SP Q5R9J9 "RecName: Full=Trafficking protein particle complex subunit 4" 93.75 219 97.78 98.89 4.67e-56 SP Q9Y296 "RecName: Full=Trafficking protein particle complex subunit 4; AltName: Full=Hematopoietic stem/progenitor cell protein 172; Alt" 93.75 219 97.78 98.89 4.67e-56 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $apd Human 9606 Eukaryota Metazoa Homo sapiens 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 $apd 'recombinant technology' . Escherichia coli . pET28 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $apd . mM 1 1.5 '[U-13C; U-15N]' 'potassium phosphate' 50 mM . . 'natural abundance' DSS 0.01 % . . 'natural abundance' 'sodium azide' 0.01 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SANE _Saveframe_category software _Name SANE _Version . loop_ _Vendor _Address _Electronic_address 'Duggan, Legge, Dyson & Wright' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_2D_CB(CGCD)HD_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CB(CGCD)HD' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _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' 0.05 . M pH 6.0 . pH pressure 1 . atm temperature 293 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D HNCO' '3D HCCH-TOCSY' '3D HBHA(CO)NH' '2D CB(CGCD)HD' '3D HN(CA)CO' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HCCH-COSY' '3D CCH-TOCSY' 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 'apd monomer' _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 GLY H H 8.575 0.02 1 2 2 2 GLY HA3 H 3.941 0.02 2 3 2 2 GLY CA C 45.109 0.3 1 4 2 2 GLY N N 110.363 0.3 1 5 3 3 HIS H H 8.398 0.02 1 6 3 3 HIS HB3 H 3.065 0.02 2 7 3 3 HIS CA C 55.958 0.3 1 8 3 3 HIS CB C 29.588 0.3 1 9 3 3 HIS N N 118.248 0.3 1 10 6 6 HIS HA H 4.637 0.02 1 11 6 6 HIS HB3 H 3.099 0.02 2 12 6 6 HIS CA C 55.805 0.3 1 13 6 6 HIS CB C 29.866 0.3 1 14 7 7 HIS H H 8.775 0.02 1 15 7 7 HIS HA H 4.639 0.02 1 16 7 7 HIS HB2 H 3.174 0.02 2 17 7 7 HIS HB3 H 3.174 0.02 2 18 7 7 HIS CA C 55.959 0.3 1 19 7 7 HIS CB C 29.834 0.3 1 20 7 7 HIS N N 120.965 0.3 1 21 8 8 HIS H H 8.591 0.02 1 22 8 8 HIS HA H 4.447 0.02 1 23 8 8 HIS HB2 H 2.045 0.02 2 24 8 8 HIS HB3 H 2.045 0.02 2 25 8 8 HIS CA C 56.009 0.3 1 26 8 8 HIS CB C 32.890 0.3 1 27 8 8 HIS N N 122.251 0.3 1 28 9 9 LEU H H 8.430 0.02 1 29 9 9 LEU HA H 4.359 0.02 1 30 9 9 LEU HB2 H 1.622 0.02 2 31 9 9 LEU HB3 H 1.622 0.02 2 32 9 9 LEU HD1 H 0.865 0.02 2 33 9 9 LEU HD2 H 0.924 0.02 2 34 9 9 LEU HG H 1.628 0.02 1 35 9 9 LEU C C 177.241 0.3 1 36 9 9 LEU CA C 55.395 0.3 1 37 9 9 LEU CB C 42.317 0.3 1 38 9 9 LEU CD1 C 23.490 0.3 2 39 9 9 LEU CD2 C 24.912 0.3 2 40 9 9 LEU CG C 27.118 0.3 1 41 9 9 LEU N N 123.074 0.3 1 42 10 10 ASP H H 8.358 0.02 1 43 10 10 ASP HA H 4.606 0.02 1 44 10 10 ASP HB2 H 2.681 0.02 2 45 10 10 ASP HB3 H 2.681 0.02 2 46 10 10 ASP C C 176.490 0.3 1 47 10 10 ASP CA C 54.541 0.3 1 48 10 10 ASP CB C 41.244 0.3 1 49 10 10 ASP N N 121.299 0.3 1 50 11 11 SER H H 8.212 0.02 1 51 11 11 SER HA H 4.367 0.02 1 52 11 11 SER HB2 H 3.787 0.02 2 53 11 11 SER HB3 H 3.787 0.02 2 54 11 11 SER C C 174.210 0.3 1 55 11 11 SER CA C 58.750 0.3 1 56 11 11 SER CB C 63.743 0.3 1 57 11 11 SER N N 115.863 0.3 1 58 12 12 TYR H H 8.207 0.02 1 59 12 12 TYR HA H 4.562 0.02 1 60 12 12 TYR HB2 H 3.077 0.02 2 61 12 12 TYR HB3 H 2.958 0.02 2 62 12 12 TYR HD1 H 7.114 0.02 1 63 12 12 TYR HD2 H 7.114 0.02 1 64 12 12 TYR HE1 H 6.818 0.02 1 65 12 12 TYR HE2 H 6.818 0.02 1 66 12 12 TYR C C 175.105 0.3 1 67 12 12 TYR CA C 57.994 0.3 1 68 12 12 TYR CB C 38.821 0.3 1 69 12 12 TYR CD1 C 133.326 0.3 1 70 12 12 TYR CD2 C 133.326 0.3 1 71 12 12 TYR CE1 C 118.224 0.3 1 72 12 12 TYR CE2 C 118.224 0.3 1 73 12 12 TYR N N 121.901 0.3 1 74 13 13 ALA H H 8.033 0.02 1 75 13 13 ALA HA H 4.552 0.02 1 76 13 13 ALA HB H 1.327 0.02 1 77 13 13 ALA C C 174.997 0.3 1 78 13 13 ALA CA C 50.585 0.3 1 79 13 13 ALA CB C 18.488 0.3 1 80 13 13 ALA N N 126.839 0.3 1 81 14 14 PRO HA H 4.390 0.02 1 82 14 14 PRO HB2 H 2.283 0.02 2 83 14 14 PRO HB3 H 1.878 0.02 2 84 14 14 PRO HD2 H 3.664 0.02 2 85 14 14 PRO HD3 H 3.604 0.02 2 86 14 14 PRO HG2 H 2.011 0.02 2 87 14 14 PRO HG3 H 2.011 0.02 2 88 14 14 PRO C C 176.894 0.3 1 89 14 14 PRO CA C 63.199 0.3 1 90 14 14 PRO CB C 32.210 0.3 1 91 14 14 PRO CD C 50.578 0.3 1 92 14 14 PRO CG C 27.496 0.3 1 93 15 15 ARG H H 8.492 0.02 1 94 15 15 ARG HA H 4.357 0.02 1 95 15 15 ARG HB2 H 1.897 0.02 2 96 15 15 ARG HB3 H 1.801 0.02 2 97 15 15 ARG HD3 H 3.211 0.02 2 98 15 15 ARG C C 176.040 0.3 1 99 15 15 ARG CA C 56.029 0.3 1 100 15 15 ARG CB C 31.097 0.3 1 101 15 15 ARG CD C 43.424 0.3 1 102 15 15 ARG N N 121.148 0.3 1 103 16 16 ALA H H 8.511 0.02 1 104 16 16 ALA HA H 4.352 0.02 1 105 16 16 ALA HB H 1.420 0.02 1 106 16 16 ALA C C 177.569 0.3 1 107 16 16 ALA CA C 52.771 0.3 1 108 16 16 ALA CB C 19.291 0.3 1 109 16 16 ALA N N 125.410 0.3 1 110 17 17 GLU H H 8.513 0.02 1 111 17 17 GLU HA H 4.681 0.02 1 112 17 17 GLU HB2 H 2.129 0.02 2 113 17 17 GLU HB3 H 1.910 0.02 2 114 17 17 GLU HG2 H 2.313 0.02 2 115 17 17 GLU HG3 H 2.313 0.02 2 116 17 17 GLU C C 176.040 0.3 1 117 17 17 GLU CA C 56.240 0.3 1 118 17 17 GLU CB C 31.430 0.3 1 119 17 17 GLU CG C 36.488 0.3 1 120 17 17 GLU N N 120.135 0.3 1 121 20 20 LYS HA H 4.642 0.02 1 122 20 20 LYS HB2 H 1.812 0.02 2 123 20 20 LYS HB3 H 1.716 0.02 2 124 20 20 LYS C C 174.395 0.3 1 125 20 20 LYS CA C 55.041 0.3 1 126 20 20 LYS CB C 36.603 0.3 1 127 21 21 THR H H 8.278 0.02 1 128 21 21 THR HA H 5.185 0.02 1 129 21 21 THR HB H 3.916 0.02 1 130 21 21 THR HG2 H 1.143 0.02 1 131 21 21 THR C C 174.123 0.3 1 132 21 21 THR CA C 62.206 0.3 1 133 21 21 THR CB C 69.740 0.3 1 134 21 21 THR CG2 C 22.004 0.3 1 135 21 21 THR N N 118.285 0.3 1 136 22 22 PHE H H 9.552 0.02 1 137 22 22 PHE HA H 4.934 0.02 1 138 22 22 PHE HB2 H 3.596 0.02 2 139 22 22 PHE HB3 H 2.961 0.02 2 140 22 22 PHE HD1 H 7.620 0.02 1 141 22 22 PHE HD2 H 7.620 0.02 1 142 22 22 PHE HE1 H 7.446 0.02 1 143 22 22 PHE HE2 H 7.446 0.02 1 144 22 22 PHE HZ H 7.191 0.02 1 145 22 22 PHE CA C 57.809 0.3 1 146 22 22 PHE CB C 43.018 0.3 1 147 22 22 PHE CD1 C 133.563 0.3 1 148 22 22 PHE CD2 C 133.563 0.3 1 149 22 22 PHE CE1 C 131.365 0.3 1 150 22 22 PHE CE2 C 131.365 0.3 1 151 22 22 PHE CZ C 129.191 0.3 1 152 22 22 PHE N N 125.884 0.3 1 153 23 23 SER H H 8.489 0.02 1 154 23 23 SER HA H 4.874 0.02 1 155 23 23 SER HB2 H 4.004 0.02 2 156 23 23 SER HB3 H 4.004 0.02 2 157 23 23 SER CA C 57.308 0.3 1 158 23 23 SER CB C 65.134 0.3 1 159 23 23 SER N N 116.064 0.3 1 160 24 24 TYR H H 8.561 0.02 1 161 24 24 TYR HA H 3.787 0.02 1 162 24 24 TYR HB2 H 2.582 0.02 2 163 24 24 TYR HB3 H 2.582 0.02 2 164 24 24 TYR HD1 H 6.425 0.02 1 165 24 24 TYR HD2 H 6.425 0.02 1 166 24 24 TYR HE1 H 6.658 0.02 1 167 24 24 TYR HE2 H 6.658 0.02 1 168 24 24 TYR CA C 55.942 0.3 1 169 24 24 TYR CB C 39.190 0.3 1 170 24 24 TYR CD1 C 133.512 0.3 1 171 24 24 TYR CD2 C 133.512 0.3 1 172 24 24 TYR CE1 C 118.361 0.3 1 173 24 24 TYR CE2 C 118.361 0.3 1 174 24 24 TYR N N 120.614 0.3 1 175 25 25 PRO HA H 3.195 0.02 1 176 25 25 PRO HB2 H 1.177 0.02 2 177 25 25 PRO HB3 H 1.613 0.02 2 178 25 25 PRO HD2 H 3.437 0.02 2 179 25 25 PRO HD3 H 3.210 0.02 2 180 25 25 PRO HG2 H 1.600 0.02 2 181 25 25 PRO HG3 H 1.600 0.02 2 182 25 25 PRO CA C 61.641 0.3 1 183 25 25 PRO CB C 33.950 0.3 1 184 25 25 PRO CD C 49.968 0.3 1 185 25 25 PRO CG C 23.920 0.3 1 186 29 29 LEU HA H 4.651 0.02 1 187 29 29 LEU HB2 H 1.841 0.02 2 188 29 29 LEU HB3 H 1.662 0.02 2 189 29 29 LEU C C 175.676 0.3 1 190 29 29 LEU CA C 54.443 0.3 1 191 29 29 LEU CB C 43.096 0.3 1 192 29 29 LEU CD1 C 24.198 0.3 2 193 29 29 LEU CG C 27.445 0.3 1 194 30 30 LEU H H 8.665 0.02 1 195 30 30 LEU HA H 5.369 0.02 1 196 30 30 LEU HB2 H 1.678 0.02 2 197 30 30 LEU HB3 H 1.125 0.02 2 198 30 30 LEU HD1 H 0.683 0.02 2 199 30 30 LEU HG H 0.686 0.02 1 200 30 30 LEU C C 176.370 0.3 1 201 30 30 LEU CA C 53.005 0.3 1 202 30 30 LEU CB C 43.867 0.3 1 203 30 30 LEU CD1 C 23.567 0.3 2 204 30 30 LEU CG C 26.523 0.3 1 205 30 30 LEU N N 126.293 0.3 1 206 31 31 LYS H H 9.288 0.02 1 207 31 31 LYS HA H 4.664 0.02 1 208 31 31 LYS HB2 H 1.714 0.02 2 209 31 31 LYS HB3 H 1.714 0.02 2 210 31 31 LYS HD2 H 1.663 0.02 2 211 31 31 LYS HD3 H 1.663 0.02 2 212 31 31 LYS HE2 H 2.883 0.02 2 213 31 31 LYS HE3 H 2.883 0.02 2 214 31 31 LYS HG2 H 1.230 0.02 2 215 31 31 LYS HG3 H 1.303 0.02 2 216 31 31 LYS C C 173.995 0.3 1 217 31 31 LYS CA C 54.758 0.3 1 218 31 31 LYS CB C 37.173 0.3 1 219 31 31 LYS CD C 29.279 0.3 1 220 31 31 LYS CE C 42.247 0.3 1 221 31 31 LYS CG C 24.645 0.3 1 222 31 31 LYS N N 119.484 0.3 1 223 32 32 LEU H H 8.724 0.02 1 224 32 32 LEU HA H 4.972 0.02 1 225 32 32 LEU HB2 H 1.686 0.02 2 226 32 32 LEU HB3 H 1.430 0.02 2 227 32 32 LEU HD1 H 0.724 0.02 2 228 32 32 LEU HD2 H 0.794 0.02 2 229 32 32 LEU HG H 0.790 0.02 1 230 32 32 LEU C C 177.274 0.3 1 231 32 32 LEU CA C 54.494 0.3 1 232 32 32 LEU CB C 43.119 0.3 1 233 32 32 LEU CD1 C 24.401 0.3 2 234 32 32 LEU CD2 C 25.256 0.3 2 235 32 32 LEU CG C 27.307 0.3 1 236 32 32 LEU N N 124.082 0.3 1 237 33 33 HIS H H 9.361 0.02 1 238 33 33 HIS HA H 4.698 0.02 1 239 33 33 HIS HB2 H 3.025 0.02 2 240 33 33 HIS HB3 H 2.892 0.02 2 241 33 33 HIS C C 174.092 0.3 1 242 33 33 HIS CA C 56.497 0.3 1 243 33 33 HIS CB C 32.274 0.3 1 244 33 33 HIS N N 125.743 0.3 1 245 34 34 ASP H H 9.134 0.02 1 246 34 34 ASP HA H 4.146 0.02 1 247 34 34 ASP HB2 H 2.856 0.02 2 248 34 34 ASP HB3 H 2.392 0.02 2 249 34 34 ASP C C 174.644 0.3 1 250 34 34 ASP CA C 55.976 0.3 1 251 34 34 ASP CB C 39.179 0.3 1 252 34 34 ASP N N 128.890 0.3 1 253 35 35 GLU H H 8.648 0.02 1 254 35 35 GLU HA H 3.681 0.02 1 255 35 35 GLU HB2 H 2.381 0.02 2 256 35 35 GLU HB3 H 2.179 0.02 2 257 35 35 GLU HG2 H 2.356 0.02 2 258 35 35 GLU HG3 H 2.145 0.02 2 259 35 35 GLU C C 174.234 0.3 1 260 35 35 GLU CA C 57.346 0.3 1 261 35 35 GLU CB C 27.735 0.3 1 262 35 35 GLU CG C 36.416 0.3 1 263 35 35 GLU N N 109.734 0.3 1 264 36 36 ARG H H 7.710 0.02 1 265 36 36 ARG HA H 4.515 0.02 1 266 36 36 ARG HB2 H 1.883 0.02 2 267 36 36 ARG HB3 H 1.715 0.02 2 268 36 36 ARG HD3 H 3.219 0.02 2 269 36 36 ARG C C 174.063 0.3 1 270 36 36 ARG CA C 54.212 0.3 1 271 36 36 ARG CB C 33.371 0.3 1 272 36 36 ARG CD C 43.586 0.3 1 273 36 36 ARG N N 116.091 0.3 1 274 37 37 VAL H H 8.803 0.02 1 275 37 37 VAL HA H 4.375 0.02 1 276 37 37 VAL HB H 2.002 0.02 1 277 37 37 VAL HG1 H 0.814 0.02 2 278 37 37 VAL HG2 H 0.799 0.02 2 279 37 37 VAL C C 174.388 0.3 1 280 37 37 VAL CA C 62.620 0.3 1 281 37 37 VAL CB C 31.484 0.3 1 282 37 37 VAL CG1 C 21.335 0.3 2 283 37 37 VAL CG2 C 24.183 0.3 2 284 37 37 VAL N N 122.430 0.3 1 285 38 38 LEU H H 8.966 0.02 1 286 38 38 LEU HA H 5.495 0.02 1 287 38 38 LEU HB2 H 1.630 0.02 2 288 38 38 LEU HB3 H 1.293 0.02 2 289 38 38 LEU HD1 H 0.889 0.02 2 290 38 38 LEU HD2 H 0.831 0.02 2 291 38 38 LEU HG H 1.733 0.02 1 292 38 38 LEU C C 177.365 0.3 1 293 38 38 LEU CA C 52.624 0.3 1 294 38 38 LEU CB C 46.189 0.3 1 295 38 38 LEU CD1 C 26.225 0.3 2 296 38 38 LEU CD2 C 23.802 0.3 2 297 38 38 LEU CG C 27.235 0.3 1 298 38 38 LEU N N 125.739 0.3 1 299 39 39 VAL H H 8.899 0.02 1 300 39 39 VAL HA H 4.006 0.02 1 301 39 39 VAL HB H 2.245 0.02 1 302 39 39 VAL HG1 H 0.741 0.02 2 303 39 39 VAL HG2 H 0.602 0.02 2 304 39 39 VAL C C 176.380 0.3 1 305 39 39 VAL CA C 63.763 0.3 1 306 39 39 VAL CB C 31.629 0.3 1 307 39 39 VAL CG1 C 22.309 0.3 2 308 39 39 VAL CG2 C 22.309 0.3 2 309 39 39 VAL N N 119.125 0.3 1 310 40 40 ALA H H 9.755 0.02 1 311 40 40 ALA HA H 4.533 0.02 1 312 40 40 ALA HB H 1.309 0.02 1 313 40 40 ALA C C 176.636 0.3 1 314 40 40 ALA CA C 52.536 0.3 1 315 40 40 ALA CB C 20.860 0.3 1 316 40 40 ALA N N 133.618 0.3 1 317 41 41 PHE H H 7.761 0.02 1 318 41 41 PHE HA H 4.299 0.02 1 319 41 41 PHE HB2 H 3.204 0.02 2 320 41 41 PHE HB3 H 2.812 0.02 2 321 41 41 PHE HD1 H 7.260 0.02 1 322 41 41 PHE HD2 H 7.260 0.02 1 323 41 41 PHE C C 172.990 0.3 1 324 41 41 PHE CA C 59.306 0.3 1 325 41 41 PHE CB C 42.621 0.3 1 326 41 41 PHE CD1 C 131.815 0.3 1 327 41 41 PHE CD2 C 131.815 0.3 1 328 41 41 PHE N N 117.497 0.3 1 329 42 42 GLY H H 7.709 0.02 1 330 42 42 GLY HA2 H 4.190 0.02 2 331 42 42 GLY HA3 H 3.327 0.02 2 332 42 42 GLY C C 171.542 0.3 1 333 42 42 GLY CA C 44.310 0.3 1 334 42 42 GLY N N 114.790 0.3 1 335 43 43 GLN HA H 4.366 0.02 1 336 43 43 GLN HB2 H 1.968 0.02 2 337 43 43 GLN HB3 H 1.968 0.02 2 338 43 43 GLN HE21 H 7.519 0.02 2 339 43 43 GLN HE22 H 6.821 0.02 2 340 43 43 GLN HG2 H 2.248 0.02 2 341 43 43 GLN HG3 H 2.248 0.02 2 342 43 43 GLN CA C 55.207 0.3 1 343 43 43 GLN CB C 30.347 0.3 1 344 43 43 GLN CG C 32.984 0.3 1 345 43 43 GLN NE2 N 111.648 0.3 1 346 49 49 VAL HA H 3.386 0.02 1 347 49 49 VAL HB H 1.825 0.02 1 348 49 49 VAL HG1 H 0.886 0.02 2 349 49 49 VAL HG2 H 0.898 0.02 2 350 49 49 VAL C C 177.680 0.3 1 351 49 49 VAL CA C 64.730 0.3 1 352 49 49 VAL CB C 31.489 0.3 1 353 49 49 VAL CG1 C 22.484 0.3 2 354 49 49 VAL CG2 C 20.816 0.3 2 355 50 50 GLY H H 9.040 0.02 1 356 50 50 GLY HA2 H 4.505 0.02 2 357 50 50 GLY HA3 H 3.562 0.02 2 358 50 50 GLY C C 175.034 0.3 1 359 50 50 GLY CA C 44.901 0.3 1 360 50 50 GLY N N 115.994 0.3 1 361 51 51 HIS H H 8.228 0.02 1 362 51 51 HIS HA H 4.614 0.02 1 363 51 51 HIS HB2 H 3.445 0.02 2 364 51 51 HIS HB3 H 3.066 0.02 2 365 51 51 HIS HD2 H 6.817 0.02 1 366 51 51 HIS C C 174.681 0.3 1 367 51 51 HIS CA C 57.434 0.3 1 368 51 51 HIS CB C 32.934 0.3 1 369 51 51 HIS CD2 C 115.484 0.3 1 370 51 51 HIS N N 120.280 0.3 1 371 52 52 ALA H H 9.229 0.02 1 372 52 52 ALA HA H 5.587 0.02 1 373 52 52 ALA HB H 1.319 0.02 1 374 52 52 ALA C C 177.988 0.3 1 375 52 52 ALA CA C 50.053 0.3 1 376 52 52 ALA CB C 22.023 0.3 1 377 52 52 ALA N N 121.598 0.3 1 378 53 53 VAL HA H 3.473 0.02 1 379 53 53 VAL HB H 1.961 0.02 1 380 53 53 VAL HG1 H 0.740 0.02 2 381 53 53 VAL HG2 H 0.599 0.02 2 382 53 53 VAL C C 175.227 0.3 1 383 53 53 VAL CA C 63.914 0.3 1 384 53 53 VAL CB C 32.339 0.3 1 385 53 53 VAL CG1 C 22.344 0.3 2 386 53 53 VAL CG2 C 21.313 0.3 2 387 54 54 LEU H H 9.067 0.02 1 388 54 54 LEU HA H 4.599 0.02 1 389 54 54 LEU HB2 H 1.514 0.02 2 390 54 54 LEU HB3 H 1.288 0.02 2 391 54 54 LEU HD2 H 0.740 0.02 2 392 54 54 LEU C C 178.208 0.3 1 393 54 54 LEU CA C 55.084 0.3 1 394 54 54 LEU CB C 43.490 0.3 1 395 54 54 LEU CD1 C 25.721 0.3 2 396 54 54 LEU CD2 C 22.200 0.3 2 397 54 54 LEU N N 126.184 0.3 1 398 55 55 ALA H H 7.665 0.02 1 399 55 55 ALA HA H 4.889 0.02 1 400 55 55 ALA HB H 1.163 0.02 1 401 55 55 ALA C C 175.085 0.3 1 402 55 55 ALA CA C 52.600 0.3 1 403 55 55 ALA CB C 21.847 0.3 1 404 55 55 ALA N N 119.807 0.3 1 405 56 56 ILE H H 8.209 0.02 1 406 56 56 ILE HA H 4.643 0.02 1 407 56 56 ILE HB H 1.418 0.02 1 408 56 56 ILE HD1 H 0.621 0.02 1 409 56 56 ILE HG12 H 1.243 0.02 2 410 56 56 ILE HG13 H 0.762 0.02 2 411 56 56 ILE HG2 H 0.682 0.02 1 412 56 56 ILE C C 176.001 0.3 1 413 56 56 ILE CA C 59.817 0.3 1 414 56 56 ILE CB C 41.035 0.3 1 415 56 56 ILE CD1 C 14.420 0.3 1 416 56 56 ILE CG1 C 27.777 0.3 1 417 56 56 ILE CG2 C 17.612 0.3 1 418 56 56 ILE N N 119.114 0.3 1 419 57 57 ASN H H 10.090 0.02 1 420 57 57 ASN HA H 4.523 0.02 1 421 57 57 ASN HB2 H 3.110 0.02 2 422 57 57 ASN HB3 H 2.896 0.02 2 423 57 57 ASN HD21 H 7.465 0.02 2 424 57 57 ASN HD22 H 7.754 0.02 2 425 57 57 ASN C C 175.371 0.3 1 426 57 57 ASN CA C 54.161 0.3 1 427 57 57 ASN CB C 36.953 0.3 1 428 57 57 ASN N N 128.487 0.3 1 429 57 57 ASN ND2 N 114.533 0.3 1 430 58 58 GLY H H 9.200 0.02 1 431 58 58 GLY HA2 H 4.080 0.02 2 432 58 58 GLY HA3 H 3.513 0.02 2 433 58 58 GLY C C 174.149 0.3 1 434 58 58 GLY CA C 45.464 0.3 1 435 58 58 GLY N N 103.720 0.3 1 436 59 59 MET H H 7.852 0.02 1 437 59 59 MET HA H 4.801 0.02 1 438 59 59 MET HB2 H 2.164 0.02 2 439 59 59 MET HB3 H 1.865 0.02 2 440 59 59 MET HG2 H 2.574 0.02 2 441 59 59 MET HG3 H 2.484 0.02 2 442 59 59 MET C C 175.661 0.3 1 443 59 59 MET CA C 53.528 0.3 1 444 59 59 MET CB C 33.623 0.3 1 445 59 59 MET CG C 31.555 0.3 1 446 59 59 MET N N 120.479 0.3 1 447 60 60 ASP H H 8.931 0.02 1 448 60 60 ASP HA H 4.696 0.02 1 449 60 60 ASP HB2 H 2.689 0.02 2 450 60 60 ASP HB3 H 2.541 0.02 2 451 60 60 ASP C C 176.608 0.3 1 452 60 60 ASP CA C 55.789 0.3 1 453 60 60 ASP CB C 40.793 0.3 1 454 60 60 ASP N N 127.746 0.3 1 455 61 61 VAL H H 7.734 0.02 1 456 61 61 VAL HA H 4.216 0.02 1 457 61 61 VAL HB H 1.968 0.02 1 458 61 61 VAL HG1 H 0.699 0.02 2 459 61 61 VAL HG2 H 0.729 0.02 2 460 61 61 VAL C C 174.993 0.3 1 461 61 61 VAL CA C 60.816 0.3 1 462 61 61 VAL CB C 32.006 0.3 1 463 61 61 VAL CG1 C 22.318 0.3 2 464 61 61 VAL CG2 C 20.618 0.3 2 465 61 61 VAL N N 117.791 0.3 1 466 62 62 ASN H H 9.011 0.02 1 467 62 62 ASN HA H 5.044 0.02 1 468 62 62 ASN HB2 H 2.842 0.02 2 469 62 62 ASN HB3 H 2.664 0.02 2 470 62 62 ASN HD21 H 7.683 0.02 2 471 62 62 ASN HD22 H 6.946 0.02 2 472 62 62 ASN C C 175.375 0.3 1 473 62 62 ASN CA C 51.604 0.3 1 474 62 62 ASN CB C 39.209 0.3 1 475 62 62 ASN N N 124.361 0.3 1 476 62 62 ASN ND2 N 112.216 0.3 1 477 63 63 GLY H H 8.699 0.02 1 478 63 63 GLY HA2 H 4.267 0.02 2 479 63 63 GLY HA3 H 3.760 0.02 2 480 63 63 GLY C C 173.666 0.3 1 481 63 63 GLY CA C 47.919 0.3 1 482 63 63 GLY N N 113.974 0.3 1 483 64 64 ARG H H 8.595 0.02 1 484 64 64 ARG HA H 4.144 0.02 1 485 64 64 ARG HB2 H 1.705 0.02 2 486 64 64 ARG HB3 H 1.336 0.02 2 487 64 64 ARG HD2 H 2.950 0.02 2 488 64 64 ARG HD3 H 2.950 0.02 2 489 64 64 ARG HE H 7.941 0.02 1 490 64 64 ARG HG2 H 1.271 0.02 2 491 64 64 ARG HG3 H 0.617 0.02 2 492 64 64 ARG C C 175.001 0.3 1 493 64 64 ARG CA C 55.449 0.3 1 494 64 64 ARG CB C 31.649 0.3 1 495 64 64 ARG CD C 44.144 0.3 1 496 64 64 ARG CG C 25.161 0.3 1 497 64 64 ARG N N 124.516 0.3 1 498 64 64 ARG NE N 112.539 0.3 1 499 65 65 TYR H H 7.959 0.02 1 500 65 65 TYR HA H 5.515 0.02 1 501 65 65 TYR HB2 H 3.095 0.02 2 502 65 65 TYR HB3 H 2.929 0.02 2 503 65 65 TYR HD1 H 7.030 0.02 1 504 65 65 TYR HD2 H 7.030 0.02 1 505 65 65 TYR HE1 H 6.856 0.02 1 506 65 65 TYR HE2 H 6.856 0.02 1 507 65 65 TYR C C 176.353 0.3 1 508 65 65 TYR CA C 57.143 0.3 1 509 65 65 TYR CB C 42.338 0.3 1 510 65 65 TYR CD1 C 133.543 0.3 1 511 65 65 TYR CD2 C 133.543 0.3 1 512 65 65 TYR CE1 C 118.383 0.3 1 513 65 65 TYR CE2 C 118.383 0.3 1 514 65 65 TYR N N 119.872 0.3 1 515 66 66 THR H H 9.651 0.02 1 516 66 66 THR HA H 4.418 0.02 1 517 66 66 THR HB H 4.418 0.02 1 518 66 66 THR HG2 H 0.827 0.02 1 519 66 66 THR C C 177.773 0.3 1 520 66 66 THR CA C 61.270 0.3 1 521 66 66 THR CB C 71.305 0.3 1 522 66 66 THR CG2 C 22.162 0.3 1 523 66 66 THR N N 111.062 0.3 1 524 67 67 ALA H H 9.388 0.02 1 525 67 67 ALA HA H 4.109 0.02 1 526 67 67 ALA HB H 1.543 0.02 1 527 67 67 ALA C C 177.993 0.3 1 528 67 67 ALA CA C 55.247 0.3 1 529 67 67 ALA CB C 18.955 0.3 1 530 67 67 ALA N N 125.051 0.3 1 531 68 68 ASP H H 7.980 0.02 1 532 68 68 ASP HA H 4.674 0.02 1 533 68 68 ASP HB2 H 2.916 0.02 2 534 68 68 ASP HB3 H 2.618 0.02 2 535 68 68 ASP C C 176.691 0.3 1 536 68 68 ASP CA C 52.824 0.3 1 537 68 68 ASP CB C 39.776 0.3 1 538 68 68 ASP N N 111.027 0.3 1 539 69 69 GLY H H 8.052 0.02 1 540 69 69 GLY HA2 H 4.154 0.02 2 541 69 69 GLY HA3 H 3.569 0.02 2 542 69 69 GLY C C 174.525 0.3 1 543 69 69 GLY CA C 46.273 0.3 1 544 69 69 GLY N N 107.666 0.3 1 545 70 70 LYS H H 7.816 0.02 1 546 70 70 LYS HA H 4.639 0.02 1 547 70 70 LYS HB2 H 1.954 0.02 2 548 70 70 LYS HB3 H 1.856 0.02 2 549 70 70 LYS HD2 H 1.704 0.02 2 550 70 70 LYS HD3 H 1.704 0.02 2 551 70 70 LYS HE2 H 3.036 0.02 2 552 70 70 LYS HE3 H 3.036 0.02 2 553 70 70 LYS HG2 H 1.411 0.02 2 554 70 70 LYS HG3 H 1.411 0.02 2 555 70 70 LYS C C 176.713 0.3 1 556 70 70 LYS CA C 54.753 0.3 1 557 70 70 LYS CB C 32.589 0.3 1 558 70 70 LYS CD C 28.944 0.3 1 559 70 70 LYS CE C 42.430 0.3 1 560 70 70 LYS CG C 24.993 0.3 1 561 70 70 LYS N N 120.047 0.3 1 562 71 71 GLU H H 9.375 0.02 1 563 71 71 GLU HA H 4.366 0.02 1 564 71 71 GLU HB2 H 2.344 0.02 2 565 71 71 GLU HB3 H 2.028 0.02 2 566 71 71 GLU HG2 H 2.515 0.02 2 567 71 71 GLU HG3 H 2.049 0.02 2 568 71 71 GLU C C 177.910 0.3 1 569 71 71 GLU CA C 58.297 0.3 1 570 71 71 GLU CB C 29.572 0.3 1 571 71 71 GLU CG C 37.639 0.3 1 572 71 71 GLU N N 124.416 0.3 1 573 72 72 VAL H H 9.028 0.02 1 574 72 72 VAL HA H 3.258 0.02 1 575 72 72 VAL HB H 1.808 0.02 1 576 72 72 VAL HG1 H 0.763 0.02 2 577 72 72 VAL HG2 H 0.763 0.02 2 578 72 72 VAL C C 177.159 0.3 1 579 72 72 VAL CA C 67.561 0.3 1 580 72 72 VAL CB C 31.962 0.3 1 581 72 72 VAL CG1 C 23.774 0.3 2 582 72 72 VAL CG2 C 22.175 0.3 2 583 72 72 VAL N N 128.216 0.3 1 584 73 73 LEU H H 9.223 0.02 1 585 73 73 LEU HA H 3.972 0.02 1 586 73 73 LEU HB2 H 1.926 0.02 2 587 73 73 LEU HB3 H 1.487 0.02 2 588 73 73 LEU HD1 H 0.920 0.02 2 589 73 73 LEU HD2 H 0.783 0.02 2 590 73 73 LEU HG H 1.761 0.02 1 591 73 73 LEU C C 180.513 0.3 1 592 73 73 LEU CA C 58.658 0.3 1 593 73 73 LEU CB C 40.458 0.3 1 594 73 73 LEU CD1 C 25.742 0.3 2 595 73 73 LEU CD2 C 23.591 0.3 2 596 73 73 LEU CG C 27.028 0.3 1 597 73 73 LEU N N 117.712 0.3 1 598 74 74 GLU H H 7.456 0.02 1 599 74 74 GLU HA H 4.133 0.02 1 600 74 74 GLU HB2 H 2.200 0.02 2 601 74 74 GLU HB3 H 2.256 0.02 2 602 74 74 GLU HG2 H 2.440 0.02 2 603 74 74 GLU HG3 H 2.285 0.02 2 604 74 74 GLU C C 179.695 0.3 1 605 74 74 GLU CA C 59.092 0.3 1 606 74 74 GLU CB C 29.845 0.3 1 607 74 74 GLU CG C 36.313 0.3 1 608 74 74 GLU N N 119.823 0.3 1 609 75 75 TYR H H 8.706 0.02 1 610 75 75 TYR HA H 4.047 0.02 1 611 75 75 TYR HB2 H 3.166 0.02 2 612 75 75 TYR HB3 H 2.973 0.02 2 613 75 75 TYR HD1 H 6.896 0.02 1 614 75 75 TYR HD2 H 6.896 0.02 1 615 75 75 TYR HE1 H 6.659 0.02 1 616 75 75 TYR HE2 H 6.659 0.02 1 617 75 75 TYR C C 179.408 0.3 1 618 75 75 TYR CA C 62.106 0.3 1 619 75 75 TYR CB C 39.275 0.3 1 620 75 75 TYR CD1 C 133.210 0.3 1 621 75 75 TYR CD2 C 133.210 0.3 1 622 75 75 TYR CE1 C 118.516 0.3 1 623 75 75 TYR CE2 C 118.516 0.3 1 624 75 75 TYR N N 123.223 0.3 1 625 76 76 LEU H H 8.586 0.02 1 626 76 76 LEU HA H 4.458 0.02 1 627 76 76 LEU HB2 H 1.921 0.02 2 628 76 76 LEU HB3 H 1.723 0.02 2 629 76 76 LEU HD1 H 0.931 0.02 2 630 76 76 LEU HD2 H 0.723 0.02 2 631 76 76 LEU HG H 2.050 0.02 1 632 76 76 LEU C C 178.328 0.3 1 633 76 76 LEU CA C 55.395 0.3 1 634 76 76 LEU CB C 41.315 0.3 1 635 76 76 LEU CD1 C 22.478 0.3 2 636 76 76 LEU CD2 C 26.420 0.3 2 637 76 76 LEU CG C 27.101 0.3 1 638 76 76 LEU N N 113.641 0.3 1 639 77 77 GLY H H 7.868 0.02 1 640 77 77 GLY HA2 H 4.541 0.02 2 641 77 77 GLY HA3 H 3.946 0.02 2 642 77 77 GLY C C 172.507 0.3 1 643 77 77 GLY CA C 45.274 0.3 1 644 77 77 GLY N N 108.897 0.3 1 645 78 78 ASN H H 7.108 0.02 1 646 78 78 ASN HA H 5.208 0.02 1 647 78 78 ASN HB2 H 3.321 0.02 2 648 78 78 ASN HB3 H 2.725 0.02 2 649 78 78 ASN HD21 H 7.572 0.02 2 650 78 78 ASN HD22 H 7.086 0.02 2 651 78 78 ASN C C 174.475 0.3 1 652 78 78 ASN CA C 49.514 0.3 1 653 78 78 ASN CB C 39.531 0.3 1 654 78 78 ASN N N 119.451 0.3 1 655 78 78 ASN ND2 N 111.376 0.3 1 656 79 79 PRO HA H 3.589 0.02 1 657 79 79 PRO HB2 H 1.478 0.02 2 658 79 79 PRO HB3 H 0.687 0.02 2 659 79 79 PRO HD2 H 3.910 0.02 2 660 79 79 PRO HD3 H 3.640 0.02 2 661 79 79 PRO HG2 H 1.690 0.02 2 662 79 79 PRO HG3 H 1.239 0.02 2 663 79 79 PRO C C 177.877 0.3 1 664 79 79 PRO CA C 64.697 0.3 1 665 79 79 PRO CB C 30.935 0.3 1 666 79 79 PRO CD C 51.179 0.3 1 667 79 79 PRO CG C 26.023 0.3 1 668 80 80 ALA H H 7.842 0.02 1 669 80 80 ALA HA H 4.197 0.02 1 670 80 80 ALA HB H 1.294 0.02 1 671 80 80 ALA C C 178.566 0.3 1 672 80 80 ALA CA C 53.801 0.3 1 673 80 80 ALA CB C 18.366 0.3 1 674 80 80 ALA N N 119.231 0.3 1 675 81 81 ASN H H 7.714 0.02 1 676 81 81 ASN HA H 4.662 0.02 1 677 81 81 ASN HB2 H 2.442 0.02 2 678 81 81 ASN HB3 H 2.318 0.02 2 679 81 81 ASN HD21 H 7.823 0.02 2 680 81 81 ASN HD22 H 6.692 0.02 2 681 81 81 ASN C C 172.714 0.3 1 682 81 81 ASN CA C 52.960 0.3 1 683 81 81 ASN CB C 37.946 0.3 1 684 81 81 ASN N N 113.680 0.3 1 685 81 81 ASN ND2 N 117.259 0.3 1 686 82 82 TYR H H 7.299 0.02 1 687 82 82 TYR HA H 4.283 0.02 1 688 82 82 TYR HB3 H 3.043 0.02 2 689 82 82 TYR HD1 H 7.360 0.02 1 690 82 82 TYR HD2 H 7.360 0.02 1 691 82 82 TYR HE1 H 6.641 0.02 1 692 82 82 TYR HE2 H 6.641 0.02 1 693 82 82 TYR C C 174.383 0.3 1 694 82 82 TYR CA C 57.061 0.3 1 695 82 82 TYR CB C 39.447 0.3 1 696 82 82 TYR CD1 C 133.864 0.3 1 697 82 82 TYR CD2 C 133.864 0.3 1 698 82 82 TYR CE1 C 118.269 0.3 1 699 82 82 TYR CE2 C 118.269 0.3 1 700 82 82 TYR N N 118.625 0.3 1 701 83 83 PRO HA H 4.381 0.02 1 702 83 83 PRO HB2 H 1.932 0.02 2 703 83 83 PRO HB3 H 2.133 0.02 2 704 83 83 PRO HD2 H 3.762 0.02 2 705 83 83 PRO HD3 H 3.979 0.02 2 706 83 83 PRO HG2 H 1.930 0.02 2 707 83 83 PRO HG3 H 2.112 0.02 2 708 83 83 PRO CA C 62.946 0.3 1 709 83 83 PRO CB C 32.088 0.3 1 710 83 83 PRO CD C 50.799 0.3 1 711 83 83 PRO CG C 27.515 0.3 1 712 84 84 VAL HA H 4.956 0.02 1 713 84 84 VAL HB H 1.894 0.02 1 714 84 84 VAL HG1 H 0.834 0.02 2 715 84 84 VAL HG2 H 0.581 0.02 2 716 84 84 VAL CA C 59.200 0.3 1 717 84 84 VAL CB C 35.235 0.3 1 718 84 84 VAL CG1 C 21.960 0.3 2 719 84 84 VAL CG2 C 20.563 0.3 2 720 85 85 SER H H 8.491 0.02 1 721 85 85 SER HA H 5.655 0.02 1 722 85 85 SER HB2 H 3.861 0.02 2 723 85 85 SER HB3 H 3.781 0.02 2 724 85 85 SER C C 174.729 0.3 1 725 85 85 SER CA C 56.679 0.3 1 726 85 85 SER CB C 64.021 0.3 1 727 85 85 SER N N 121.531 0.3 1 728 86 86 ILE H H 9.318 0.02 1 729 86 86 ILE HA H 4.803 0.02 1 730 86 86 ILE HB H 1.771 0.02 1 731 86 86 ILE HD1 H 0.630 0.02 1 732 86 86 ILE HG12 H 1.796 0.02 2 733 86 86 ILE HG13 H 0.741 0.02 2 734 86 86 ILE HG2 H 0.149 0.02 1 735 86 86 ILE C C 173.918 0.3 1 736 86 86 ILE CA C 60.802 0.3 1 737 86 86 ILE CB C 41.352 0.3 1 738 86 86 ILE CD1 C 14.185 0.3 1 739 86 86 ILE CG1 C 27.742 0.3 1 740 86 86 ILE CG2 C 18.834 0.3 1 741 86 86 ILE N N 126.689 0.3 1 742 88 88 PHE HA H 5.866 0.02 1 743 88 88 PHE HB2 H 3.059 0.02 2 744 88 88 PHE HB3 H 2.867 0.02 2 745 88 88 PHE HD1 H 7.054 0.02 1 746 88 88 PHE HD2 H 7.054 0.02 1 747 88 88 PHE HZ H 6.778 0.02 1 748 88 88 PHE C C 175.891 0.3 1 749 88 88 PHE CA C 56.349 0.3 1 750 88 88 PHE CB C 44.020 0.3 1 751 88 88 PHE CD1 C 132.034 0.3 1 752 88 88 PHE CD2 C 132.034 0.3 1 753 88 88 PHE CZ C 128.604 0.3 1 754 89 89 GLY H H 8.913 0.02 1 755 89 89 GLY HA2 H 4.090 0.02 2 756 89 89 GLY HA3 H 4.090 0.02 2 757 89 89 GLY C C 171.617 0.3 1 758 89 89 GLY CA C 45.684 0.3 1 759 89 89 GLY N N 105.946 0.3 1 760 90 90 ARG H H 8.880 0.02 1 761 90 90 ARG HA H 4.628 0.02 1 762 90 90 ARG HB2 H 1.860 0.02 2 763 90 90 ARG HB3 H 1.724 0.02 2 764 90 90 ARG HD2 H 3.220 0.02 2 765 90 90 ARG HD3 H 3.220 0.02 2 766 90 90 ARG HG2 H 1.650 0.02 2 767 90 90 ARG HG3 H 1.650 0.02 2 768 90 90 ARG CA C 54.341 0.3 1 769 90 90 ARG CB C 30.326 0.3 1 770 90 90 ARG CD C 43.464 0.3 1 771 90 90 ARG CG C 27.095 0.3 1 772 90 90 ARG N N 123.099 0.3 1 773 91 91 PRO HA H 4.390 0.02 1 774 91 91 PRO HB2 H 2.150 0.02 2 775 91 91 PRO HB3 H 1.925 0.02 2 776 91 91 PRO HD2 H 3.642 0.02 2 777 91 91 PRO HD3 H 3.624 0.02 2 778 91 91 PRO HG2 H 2.007 0.02 2 779 91 91 PRO HG3 H 2.007 0.02 2 780 91 91 PRO CA C 62.994 0.3 1 781 91 91 PRO CB C 32.136 0.3 1 782 91 91 PRO CD C 50.533 0.3 1 783 91 91 PRO CG C 27.419 0.3 1 784 92 92 ARG H H 8.506 0.02 1 785 92 92 ARG HA H 4.321 0.02 1 786 92 92 ARG HB2 H 1.861 0.02 2 787 92 92 ARG HB3 H 1.763 0.02 2 788 92 92 ARG HD3 H 3.208 0.02 2 789 92 92 ARG C C 176.279 0.3 1 790 92 92 ARG CA C 56.320 0.3 1 791 92 92 ARG CB C 30.937 0.3 1 792 92 92 ARG CD C 43.510 0.3 1 793 92 92 ARG N N 121.873 0.3 1 794 93 93 LEU H H 8.537 0.02 1 795 93 93 LEU HA H 4.479 0.02 1 796 93 93 LEU HB2 H 1.662 0.02 2 797 93 93 LEU HB3 H 1.662 0.02 2 798 93 93 LEU C C 177.444 0.3 1 799 93 93 LEU CA C 55.187 0.3 1 800 93 93 LEU CB C 42.551 0.3 1 801 93 93 LEU N N 124.440 0.3 1 802 94 94 THR H H 8.183 0.02 1 803 94 94 THR HA H 4.444 0.02 1 804 94 94 THR HB H 4.299 0.02 1 805 94 94 THR HG2 H 1.208 0.02 1 806 94 94 THR C C 174.383 0.3 1 807 94 94 THR CA C 61.515 0.3 1 808 94 94 THR CB C 70.080 0.3 1 809 94 94 THR CG2 C 21.657 0.3 1 810 94 94 THR N N 114.261 0.3 1 811 95 95 SER H H 8.394 0.02 1 812 95 95 SER HA H 4.502 0.02 1 813 95 95 SER HB2 H 3.882 0.02 2 814 95 95 SER HB3 H 3.882 0.02 2 815 95 95 SER C C 173.465 0.3 1 816 95 95 SER CA C 58.383 0.3 1 817 95 95 SER CB C 64.103 0.3 1 818 95 95 SER N N 117.878 0.3 1 819 96 96 ASN H H 8.170 0.02 1 820 96 96 ASN HA H 4.505 0.02 1 821 96 96 ASN HB2 H 2.733 0.02 2 822 96 96 ASN HB3 H 2.733 0.02 2 823 96 96 ASN HD21 H 7.567 0.02 2 824 96 96 ASN HD22 H 6.855 0.02 2 825 96 96 ASN C C 179.586 0.3 1 826 96 96 ASN CA C 54.935 0.3 1 827 96 96 ASN CB C 40.278 0.3 1 828 96 96 ASN N N 125.905 0.3 1 829 96 96 ASN ND2 N 112.844 0.3 1 stop_ save_