data_19626 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H,13C and 15N assignment of Rsa1p(317-352)/Hit1p((70-164) ; _BMRB_accession_number 19626 _BMRB_flat_file_name bmr19626.str _Entry_type original _Submission_date 2013-11-21 _Accession_date 2013-11-21 _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 Quinternet Marc . . 2 Roth Benjamin . . 3 Back Regis . . 4 Jacquemin Clemence . . 5 Manival Xavier . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 810 "13C chemical shifts" 596 "15N chemical shifts" 149 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-09-30 update BMRB 'update entry citation' 2014-09-08 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Protein Hit1, a novel box C/D snoRNP assembly factor, controls cellular concentration of the scaffolding protein Rsa1 by direct interaction.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25170085 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rothe Benjamin . . 2 Saliou Jean-Michel M. . 3 Quinternet Marc . . 4 Back Regis . . 5 Tiotiu Decebal . . 6 Jacquemin Clemence . . 7 Loegler Christine . . 8 Schlotter Florence . . 9 Pena Vlad . . 10 Eckert Kelvin . . 11 Morera Solange . . 12 Dorsselaer 'Alain Van' V. . 13 Branlant Christiane . . 14 Massenet Severine . . 15 Sanglier-Cianferani Sarah . . 16 Manival Xavier . . 17 Charpentier Bruno . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 42 _Journal_issue 16 _Journal_ISSN 1362-4962 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10731 _Page_last 10747 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name rsahit _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label rsa $rsa hit $hit 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_rsa _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common rsa _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 63 _Mol_residue_sequence ; GPHMFANENSQLLDFIRELG DVGLLEYELSQQEKDVLFGS SEDNNKNHYKPNYKNRKPNL SRA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 PRO 3 3 HIS 4 4 MET 5 5 PHE 6 6 ALA 7 7 ASN 8 8 GLU 9 9 ASN 10 10 SER 11 11 GLN 12 12 LEU 13 13 LEU 14 14 ASP 15 15 PHE 16 16 ILE 17 17 ARG 18 18 GLU 19 19 LEU 20 20 GLY 21 21 ASP 22 22 VAL 23 23 GLY 24 24 LEU 25 25 LEU 26 26 GLU 27 27 TYR 28 28 GLU 29 29 LEU 30 30 SER 31 31 GLN 32 32 GLN 33 33 GLU 34 34 LYS 35 35 ASP 36 36 VAL 37 37 LEU 38 38 PHE 39 39 GLY 40 40 SER 41 41 SER 42 42 GLU 43 43 ASP 44 44 ASN 45 45 ASN 46 46 LYS 47 47 ASN 48 48 HIS 49 49 TYR 50 50 LYS 51 51 PRO 52 52 ASN 53 53 TYR 54 54 LYS 55 55 ASN 56 56 ARG 57 57 LYS 58 58 PRO 59 59 ASN 60 60 LEU 61 61 SER 62 62 ARG 63 63 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 2MJF "Solution Structure Of The Complex Between The Yeast Rsa1 And Hit1 Proteins" 63.49 40 100.00 100.00 7.12e-19 DBJ GAA26783 "K7_Rsa1p [Saccharomyces cerevisiae Kyokai no. 7]" 93.65 381 100.00 100.00 1.08e-30 EMBL CAA97906 "unnamed protein product [Saccharomyces cerevisiae]" 93.65 381 100.00 100.00 1.13e-30 EMBL CAY86767 "Rsa1p [Saccharomyces cerevisiae EC1118]" 93.65 381 100.00 100.00 1.14e-30 GB AHY77988 "Rsa1p [Saccharomyces cerevisiae YJM993]" 93.65 381 100.00 100.00 1.13e-30 GB AJP41956 "Rsa1p [Saccharomyces cerevisiae YJM1078]" 93.65 381 100.00 100.00 1.13e-30 GB AJU23400 "Rsa1p [Saccharomyces cerevisiae YJM1526]" 93.65 381 100.00 100.00 1.13e-30 GB AJU24088 "Rsa1p [Saccharomyces cerevisiae YJM1549]" 93.65 381 100.00 100.00 1.10e-30 GB AJU24761 "Rsa1p [Saccharomyces cerevisiae YJM1574]" 93.65 381 100.00 100.00 1.14e-30 REF NP_015131 "Rsa1p [Saccharomyces cerevisiae S288c]" 93.65 381 100.00 100.00 1.13e-30 SP Q08932 "RecName: Full=Ribosome assembly 1 protein" 93.65 381 100.00 100.00 1.13e-30 TPG DAA11241 "TPA: Rsa1p [Saccharomyces cerevisiae S288c]" 93.65 381 100.00 100.00 1.13e-30 stop_ save_ save_hit _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hit _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 122 _Mol_residue_sequence ; MSEQPRAGTEANVEVVNNDK IINSSLAMNKTLKTKAFDDI YQNSAELQELLKYNTVKFHL AKVYRILSSTVNDGSSGKMN SDLQKELAVNYLNTLRYGGI HYNEAIEEFCQILLDKLNAV KK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 14 MET 2 15 SER 3 16 GLU 4 17 GLN 5 18 PRO 6 19 ARG 7 20 ALA 8 21 GLY 9 22 THR 10 23 GLU 11 24 ALA 12 25 ASN 13 26 VAL 14 27 GLU 15 28 VAL 16 29 VAL 17 30 ASN 18 31 ASN 19 32 ASP 20 33 LYS 21 34 ILE 22 35 ILE 23 36 ASN 24 37 SER 25 38 SER 26 39 LEU 27 40 ALA 28 41 MET 29 42 ASN 30 43 LYS 31 44 THR 32 45 LEU 33 46 LYS 34 47 THR 35 48 LYS 36 49 ALA 37 50 PHE 38 51 ASP 39 52 ASP 40 53 ILE 41 54 TYR 42 55 GLN 43 56 ASN 44 57 SER 45 58 ALA 46 59 GLU 47 60 LEU 48 61 GLN 49 62 GLU 50 63 LEU 51 64 LEU 52 65 LYS 53 66 TYR 54 67 ASN 55 68 THR 56 69 VAL 57 70 LYS 58 71 PHE 59 72 HIS 60 73 LEU 61 74 ALA 62 75 LYS 63 76 VAL 64 77 TYR 65 78 ARG 66 79 ILE 67 80 LEU 68 81 SER 69 82 SER 70 83 THR 71 84 VAL 72 85 ASN 73 86 ASP 74 87 GLY 75 88 SER 76 89 SER 77 90 GLY 78 91 LYS 79 92 MET 80 93 ASN 81 94 SER 82 95 ASP 83 96 LEU 84 97 GLN 85 98 LYS 86 99 GLU 87 100 LEU 88 101 ALA 89 102 VAL 90 103 ASN 91 104 TYR 92 105 LEU 93 106 ASN 94 107 THR 95 108 LEU 96 109 ARG 97 110 TYR 98 111 GLY 99 112 GLY 100 113 ILE 101 114 HIS 102 115 TYR 103 116 ASN 104 117 GLU 105 118 ALA 106 119 ILE 107 120 GLU 108 121 GLU 109 122 PHE 110 123 CYS 111 124 GLN 112 125 ILE 113 126 LEU 114 127 LEU 115 128 ASP 116 129 LYS 117 130 LEU 118 131 ASN 119 132 ALA 120 133 VAL 121 134 LYS 122 135 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 2MJF "Solution Structure Of The Complex Between The Yeast Rsa1 And Hit1 Proteins" 77.87 95 100.00 100.00 3.95e-61 DBJ BAA01878 "HIT1 [Saccharomyces cerevisiae]" 99.18 164 100.00 100.00 1.81e-80 DBJ GAA24403 "K7_Hit1p [Saccharomyces cerevisiae Kyokai no. 7]" 99.18 164 99.17 99.17 7.24e-80 EMBL CAA89583 "HIT1 [Saccharomyces cerevisiae]" 99.18 164 100.00 100.00 1.52e-80 EMBL CBK33766 "Hit1p [Saccharomyces cerevisiae EC1118]" 99.18 164 98.35 98.35 6.27e-79 GB AAB39281 "ORF YJR055w [Saccharomyces cerevisiae]" 99.18 164 100.00 100.00 1.52e-80 GB AAS56423 "YJR055W [Saccharomyces cerevisiae]" 99.18 164 100.00 100.00 1.52e-80 GB AHY79041 "Hit1p [Saccharomyces cerevisiae YJM993]" 99.18 164 98.35 98.35 6.27e-79 GB EDN63374 "high temperature growth [Saccharomyces cerevisiae YJM789]" 99.18 164 99.17 99.17 7.24e-80 GB EDV12797 "protein HIT1 [Saccharomyces cerevisiae RM11-1a]" 99.18 164 98.35 98.35 6.27e-79 REF NP_012589 "Hit1p [Saccharomyces cerevisiae S288c]" 99.18 164 100.00 100.00 1.52e-80 SP P46973 "RecName: Full=Protein HIT1 [Saccharomyces cerevisiae S288c]" 99.18 164 100.00 100.00 1.52e-80 TPG DAA08842 "TPA: Hit1p [Saccharomyces cerevisiae S288c]" 99.18 164 100.00 100.00 1.52e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $rsa 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae $hit 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $rsa 'recombinant technology' . Escherichia coli . pnEA $hit 'recombinant technology' . Escherichia coli . pnCS 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 $rsa 1 mM '[U-100% 13C; U-100% 15N]' $hit 1 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 150 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _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_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _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_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HNHB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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' 150 . mM pH 6.4 . 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 na indirect . 'separate tube (no insert) not similar to the experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) not similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) not similar to the experimental sample tube' . 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 '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CA)CO' '3D HNHA' '3D HNHB' '3D HCCH-COSY' '3D HCCH-TOCSY' '3D C(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' 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 rsa _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 PRO HA H 004.426 0.020 1 2 2 2 PRO HB2 H 001.831 0.020 1 3 2 2 PRO HB3 H 002.259 0.020 1 4 2 2 PRO HG2 H 001.931 0.020 1 5 2 2 PRO HG3 H 001.997 0.020 1 6 2 2 PRO HD2 H 003.554 0.020 2 7 2 2 PRO HD3 H 003.554 0.020 2 8 2 2 PRO C C 176.534 0.300 1 9 2 2 PRO CA C 063.005 0.300 1 10 2 2 PRO CB C 032.347 0.300 1 11 2 2 PRO CG C 026.965 0.300 1 12 2 2 PRO CD C 049.646 0.300 1 13 3 3 HIS H H 008.706 0.020 1 14 3 3 HIS HA H 004.606 0.020 1 15 3 3 HIS HB2 H 003.103 0.020 2 16 3 3 HIS HB3 H 003.103 0.020 2 17 3 3 HIS HD2 H 007.050 0.020 1 18 3 3 HIS HE1 H 008.372 0.020 1 19 3 3 HIS C C 174.791 0.300 1 20 3 3 HIS CA C 055.778 0.300 1 21 3 3 HIS CB C 029.643 0.300 1 22 3 3 HIS CD2 C 117.312 0.300 1 23 3 3 HIS CE1 C 134.315 0.300 1 24 3 3 HIS N N 119.365 0.300 1 25 4 4 MET H H 008.459 0.020 1 26 4 4 MET HA H 004.417 0.020 1 27 4 4 MET HB2 H 001.928 0.020 2 28 4 4 MET HB3 H 001.928 0.020 2 29 4 4 MET HG2 H 002.369 0.020 1 30 4 4 MET HG3 H 002.465 0.020 1 31 4 4 MET HE H 002.057 0.020 1 32 4 4 MET C C 175.739 0.300 1 33 4 4 MET CA C 055.585 0.300 1 34 4 4 MET CB C 032.955 0.300 1 35 4 4 MET CG C 031.753 0.300 1 36 4 4 MET CE C 014.260 0.300 1 37 4 4 MET N N 122.301 0.300 1 38 5 5 PHE H H 008.476 0.020 1 39 5 5 PHE HA H 004.695 0.020 1 40 5 5 PHE HB2 H 003.032 0.020 1 41 5 5 PHE HB3 H 003.244 0.020 1 42 5 5 PHE HD1 H 007.334 0.020 1 43 5 5 PHE HD2 H 007.334 0.020 1 44 5 5 PHE HE1 H 007.367 0.020 1 45 5 5 PHE HE2 H 007.367 0.020 1 46 5 5 PHE C C 175.841 0.300 1 47 5 5 PHE CA C 057.615 0.300 1 48 5 5 PHE CB C 039.614 0.300 1 49 5 5 PHE CD1 C 129.263 0.300 1 50 5 5 PHE CE1 C 128.700 0.300 1 51 5 5 PHE N N 120.944 0.300 1 52 6 6 ALA H H 008.570 0.020 1 53 6 6 ALA HA H 004.278 0.020 1 54 6 6 ALA HB H 001.434 0.020 1 55 6 6 ALA C C 178.101 0.300 1 56 6 6 ALA CA C 053.481 0.300 1 57 6 6 ALA CB C 019.077 0.300 1 58 6 6 ALA N N 125.699 0.300 1 59 7 7 ASN H H 008.576 0.020 1 60 7 7 ASN HA H 004.655 0.020 1 61 7 7 ASN HB2 H 002.891 0.020 2 62 7 7 ASN HB3 H 002.891 0.020 2 63 7 7 ASN HD21 H 007.795 0.020 1 64 7 7 ASN HD22 H 007.049 0.020 1 65 7 7 ASN C C 176.514 0.300 1 66 7 7 ASN CA C 054.370 0.300 1 67 7 7 ASN CB C 038.701 0.300 1 68 7 7 ASN CG C 176.825 0.300 1 69 7 7 ASN N N 117.996 0.300 1 70 7 7 ASN ND2 N 113.468 0.300 1 71 8 8 GLU H H 008.717 0.020 1 72 8 8 GLU HA H 004.252 0.020 1 73 8 8 GLU HB2 H 002.087 0.020 2 74 8 8 GLU HB3 H 002.087 0.020 2 75 8 8 GLU HG2 H 002.346 0.020 2 76 8 8 GLU HG3 H 002.346 0.020 2 77 8 8 GLU C C 177.264 0.300 1 78 8 8 GLU CA C 058.621 0.300 1 79 8 8 GLU CB C 029.448 0.300 1 80 8 8 GLU CG C 036.273 0.300 1 81 8 8 GLU N N 120.721 0.300 1 82 9 9 ASN H H 008.312 0.020 1 83 9 9 ASN HA H 004.724 0.020 1 84 9 9 ASN HB2 H 002.657 0.020 1 85 9 9 ASN HB3 H 002.844 0.020 1 86 9 9 ASN HD21 H 007.072 0.020 1 87 9 9 ASN HD22 H 007.548 0.020 1 88 9 9 ASN C C 176.919 0.300 1 89 9 9 ASN CA C 054.924 0.300 1 90 9 9 ASN CB C 038.904 0.300 1 91 9 9 ASN CG C 175.361 0.300 1 92 9 9 ASN N N 116.864 0.300 1 93 9 9 ASN ND2 N 112.332 0.300 1 94 10 10 SER H H 008.212 0.020 1 95 10 10 SER HA H 004.090 0.020 1 96 10 10 SER HB2 H 004.114 0.020 2 97 10 10 SER HB3 H 004.114 0.020 2 98 10 10 SER CA C 062.242 0.300 1 99 10 10 SER CB C 062.733 0.300 1 100 10 10 SER N N 115.959 0.300 1 101 11 11 GLN H H 008.203 0.020 1 102 11 11 GLN HA H 004.419 0.020 1 103 11 11 GLN HB2 H 002.210 0.020 2 104 11 11 GLN HB3 H 002.210 0.020 2 105 11 11 GLN HG2 H 002.515 0.020 1 106 11 11 GLN HG3 H 002.657 0.020 1 107 11 11 GLN HE21 H 006.937 0.020 1 108 11 11 GLN HE22 H 007.607 0.020 1 109 11 11 GLN C C 177.328 0.300 1 110 11 11 GLN CA C 059.162 0.300 1 111 11 11 GLN CB C 029.778 0.300 1 112 11 11 GLN CG C 035.113 0.300 1 113 11 11 GLN CD C 179.959 0.300 1 114 11 11 GLN N N 119.356 0.300 1 115 11 11 GLN NE2 N 110.742 0.300 1 116 12 12 LEU H H 007.736 0.020 1 117 12 12 LEU HA H 003.855 0.020 1 118 12 12 LEU HB2 H 001.763 0.020 2 119 12 12 LEU HB3 H 001.763 0.020 2 120 12 12 LEU HG H 001.763 0.020 1 121 12 12 LEU HD1 H 000.894 0.020 2 122 12 12 LEU HD2 H 001.011 0.020 2 123 12 12 LEU C C 178.180 0.300 1 124 12 12 LEU CA C 058.290 0.300 1 125 12 12 LEU CB C 042.351 0.300 1 126 12 12 LEU CG C 026.898 0.300 1 127 12 12 LEU CD1 C 025.052 0.300 1 128 12 12 LEU CD2 C 025.612 0.300 1 129 12 12 LEU N N 118.905 0.300 1 130 13 13 LEU H H 007.783 0.020 1 131 13 13 LEU HA H 003.995 0.020 1 132 13 13 LEU HB2 H 001.575 0.020 1 133 13 13 LEU HB3 H 002.114 0.020 1 134 13 13 LEU HG H 002.069 0.020 1 135 13 13 LEU HD1 H 000.870 0.020 2 136 13 13 LEU HD2 H 001.035 0.020 2 137 13 13 LEU C C 178.689 0.300 1 138 13 13 LEU CA C 057.879 0.300 1 139 13 13 LEU CB C 040.909 0.300 1 140 13 13 LEU CG C 026.603 0.300 1 141 13 13 LEU CD1 C 022.695 0.300 1 142 13 13 LEU CD2 C 026.211 0.300 1 143 13 13 LEU N N 115.957 0.300 1 144 14 14 ASP H H 008.142 0.020 1 145 14 14 ASP HA H 004.560 0.020 1 146 14 14 ASP HB2 H 003.151 0.020 2 147 14 14 ASP HB3 H 003.151 0.020 2 148 14 14 ASP C C 178.022 0.300 1 149 14 14 ASP CA C 057.635 0.300 1 150 14 14 ASP CB C 039.933 0.300 1 151 14 14 ASP N N 119.582 0.300 1 152 15 15 PHE H H 008.276 0.020 1 153 15 15 PHE HA H 003.550 0.020 1 154 15 15 PHE HB2 H 002.163 0.020 1 155 15 15 PHE HB3 H 003.150 0.020 1 156 15 15 PHE HD1 H 006.510 0.020 1 157 15 15 PHE HD2 H 006.510 0.020 1 158 15 15 PHE HE1 H 007.310 0.020 1 159 15 15 PHE HE2 H 007.310 0.020 1 160 15 15 PHE HZ H 007.075 0.020 1 161 15 15 PHE C C 177.232 0.300 1 162 15 15 PHE CA C 061.675 0.300 1 163 15 15 PHE CB C 039.458 0.300 1 164 15 15 PHE CD1 C 129.351 0.300 1 165 15 15 PHE CE1 C 127.661 0.300 1 166 15 15 PHE CZ C 125.647 0.300 1 167 15 15 PHE N N 122.526 0.300 1 168 16 16 ILE H H 008.153 0.020 1 169 16 16 ILE HA H 003.550 0.020 1 170 16 16 ILE HB H 002.069 0.020 1 171 16 16 ILE HG12 H 001.082 0.020 1 172 16 16 ILE HG13 H 002.351 0.020 1 173 16 16 ILE HG2 H 000.940 0.020 1 174 16 16 ILE HD1 H 001.011 0.020 1 175 16 16 ILE C C 177.328 0.300 1 176 16 16 ILE CA C 066.392 0.300 1 177 16 16 ILE CB C 038.244 0.300 1 178 16 16 ILE CG1 C 030.305 0.300 1 179 16 16 ILE CG2 C 014.965 0.300 1 180 16 16 ILE CD1 C 012.125 0.300 1 181 16 16 ILE N N 118.225 0.300 1 182 17 17 ARG H H 008.594 0.020 1 183 17 17 ARG HA H 004.159 0.020 1 184 17 17 ARG HB2 H 002.045 0.020 1 185 17 17 ARG HB3 H 002.304 0.020 1 186 17 17 ARG HG2 H 001.764 0.020 1 187 17 17 ARG HG3 H 001.951 0.020 1 188 17 17 ARG HD2 H 003.384 0.020 1 189 17 17 ARG HD3 H 003.362 0.020 1 190 17 17 ARG C C 177.430 0.300 1 191 17 17 ARG CA C 059.822 0.300 1 192 17 17 ARG CB C 030.123 0.300 1 193 17 17 ARG CG C 027.718 0.300 1 194 17 17 ARG CD C 043.647 0.300 1 195 17 17 ARG N N 119.358 0.300 1 196 18 18 GLU H H 007.947 0.020 1 197 18 18 GLU HA H 003.973 0.020 1 198 18 18 GLU HB2 H 001.952 0.020 1 199 18 18 GLU HB3 H 002.327 0.020 1 200 18 18 GLU HG2 H 003.028 0.020 1 201 18 18 GLU HG3 H 002.256 0.020 1 202 18 18 GLU C C 179.757 0.300 1 203 18 18 GLU CA C 062.242 0.300 1 204 18 18 GLU CB C 028.062 0.300 1 205 18 18 GLU CG C 037.834 0.300 1 206 18 18 GLU N N 117.998 0.300 1 207 19 19 LEU H H 007.865 0.020 1 208 19 19 LEU HA H 003.643 0.020 1 209 19 19 LEU HB2 H 000.917 0.020 1 210 19 19 LEU HB3 H 002.116 0.020 1 211 19 19 LEU HG H 001.950 0.020 1 212 19 19 LEU HD1 H 000.425 0.020 2 213 19 19 LEU HD2 H 001.011 0.020 2 214 19 19 LEU C C 179.458 0.300 1 215 19 19 LEU CA C 057.305 0.300 1 216 19 19 LEU CB C 042.586 0.300 1 217 19 19 LEU CG C 025.364 0.300 1 218 19 19 LEU CD1 C 023.829 0.300 1 219 19 19 LEU CD2 C 027.351 0.300 1 220 19 19 LEU N N 117.091 0.300 1 221 20 20 GLY H H 008.106 0.020 1 222 20 20 GLY HA2 H 001.739 0.020 1 223 20 20 GLY HA3 H 003.080 0.020 1 224 20 20 GLY C C 178.314 0.300 1 225 20 20 GLY CA C 045.178 0.300 1 226 20 20 GLY N N 105.990 0.300 1 227 21 21 ASP H H 008.799 0.020 1 228 21 21 ASP HA H 004.513 0.020 1 229 21 21 ASP HB2 H 002.817 0.020 2 230 21 21 ASP HB3 H 002.817 0.020 2 231 21 21 ASP C C 177.906 0.300 1 232 21 21 ASP CA C 056.882 0.300 1 233 21 21 ASP CB C 040.918 0.300 1 234 21 21 ASP N N 123.209 0.300 1 235 22 22 VAL H H 007.084 0.020 1 236 22 22 VAL HA H 004.584 0.020 1 237 22 22 VAL HB H 002.398 0.020 1 238 22 22 VAL HG1 H 000.940 0.020 2 239 22 22 VAL HG2 H 000.983 0.020 2 240 22 22 VAL C C 176.069 0.300 1 241 22 22 VAL CA C 060.802 0.300 1 242 22 22 VAL CB C 031.707 0.300 1 243 22 22 VAL CG1 C 019.888 0.300 1 244 22 22 VAL CG2 C 020.948 0.300 1 245 22 22 VAL N N 109.841 0.300 1 246 23 23 GLY H H 007.489 0.020 1 247 23 23 GLY HA2 H 004.066 0.020 1 248 23 23 GLY HA3 H 004.207 0.020 1 249 23 23 GLY C C 176.824 0.300 1 250 23 23 GLY CA C 046.270 0.300 1 251 23 23 GLY N N 107.353 0.300 1 252 24 24 LEU H H 007.641 0.020 1 253 24 24 LEU HA H 004.279 0.020 1 254 24 24 LEU HB2 H 001.481 0.020 2 255 24 24 LEU HB3 H 001.481 0.020 2 256 24 24 LEU HG H 001.387 0.020 1 257 24 24 LEU HD1 H 000.424 0.020 2 258 24 24 LEU HD2 H 000.917 0.020 2 259 24 24 LEU C C 176.062 0.300 1 260 24 24 LEU CA C 055.775 0.300 1 261 24 24 LEU CB C 042.175 0.300 1 262 24 24 LEU CG C 027.741 0.300 1 263 24 24 LEU CD1 C 026.428 0.300 1 264 24 24 LEU CD2 C 022.826 0.300 1 265 24 24 LEU N N 118.222 0.300 1 266 25 25 LEU H H 008.135 0.020 1 267 25 25 LEU HA H 004.536 0.020 1 268 25 25 LEU HB2 H 001.646 0.020 2 269 25 25 LEU HB3 H 001.646 0.020 2 270 25 25 LEU HG H 000.918 0.020 1 271 25 25 LEU HD1 H 000.518 0.020 2 272 25 25 LEU HD2 H 000.682 0.020 2 273 25 25 LEU C C 175.901 0.300 1 274 25 25 LEU CA C 052.681 0.300 1 275 25 25 LEU CB C 040.558 0.300 1 276 25 25 LEU CG C 025.954 0.300 1 277 25 25 LEU CD1 C 025.355 0.300 1 278 25 25 LEU CD2 C 022.934 0.300 1 279 25 25 LEU N N 115.501 0.300 1 280 26 26 GLU H H 006.813 0.020 1 281 26 26 GLU HA H 004.108 0.020 1 282 26 26 GLU HB2 H 001.881 0.020 1 283 26 26 GLU HB3 H 001.951 0.020 1 284 26 26 GLU HG2 H 002.211 0.020 1 285 26 26 GLU HG3 H 002.328 0.020 1 286 26 26 GLU C C 175.579 0.300 1 287 26 26 GLU CA C 056.308 0.300 1 288 26 26 GLU CB C 029.834 0.300 1 289 26 26 GLU CG C 035.947 0.300 1 290 26 26 GLU N N 118.452 0.300 1 291 27 27 TYR H H 007.853 0.020 1 292 27 27 TYR HA H 004.960 0.020 1 293 27 27 TYR HB2 H 002.798 0.020 1 294 27 27 TYR HB3 H 002.962 0.020 1 295 27 27 TYR HD1 H 007.029 0.020 1 296 27 27 TYR HD2 H 007.029 0.020 1 297 27 27 TYR HE1 H 006.840 0.020 1 298 27 27 TYR HE2 H 006.840 0.020 1 299 27 27 TYR C C 173.621 0.300 1 300 27 27 TYR CA C 056.231 0.300 1 301 27 27 TYR CB C 041.419 0.300 1 302 27 27 TYR CD1 C 131.154 0.300 1 303 27 27 TYR CE1 C 115.343 0.300 1 304 27 27 TYR N N 118.904 0.300 1 305 28 28 GLU H H 008.394 0.020 1 306 28 28 GLU HA H 004.466 0.020 1 307 28 28 GLU HB2 H 001.880 0.020 1 308 28 28 GLU HB3 H 001.975 0.020 1 309 28 28 GLU HG2 H 002.163 0.020 2 310 28 28 GLU HG3 H 002.163 0.020 2 311 28 28 GLU C C 175.181 0.300 1 312 28 28 GLU CA C 055.685 0.300 1 313 28 28 GLU CB C 031.684 0.300 1 314 28 28 GLU CG C 035.912 0.300 1 315 28 28 GLU N N 121.395 0.300 1 316 29 29 LEU H H 008.758 0.020 1 317 29 29 LEU HA H 004.678 0.020 1 318 29 29 LEU HB2 H 001.547 0.020 1 319 29 29 LEU HB3 H 001.716 0.020 1 320 29 29 LEU HG H 001.881 0.020 1 321 29 29 LEU HD1 H 000.612 0.020 2 322 29 29 LEU HD2 H 000.776 0.020 2 323 29 29 LEU C C 177.835 0.300 1 324 29 29 LEU CA C 054.356 0.300 1 325 29 29 LEU CB C 043.668 0.300 1 326 29 29 LEU CG C 026.719 0.300 1 327 29 29 LEU CD1 C 022.614 0.300 1 328 29 29 LEU CD2 C 026.427 0.300 1 329 29 29 LEU N N 124.110 0.300 1 330 30 30 SER H H 009.263 0.020 1 331 30 30 SER HA H 004.584 0.020 1 332 30 30 SER HB2 H 004.066 0.020 1 333 30 30 SER HB3 H 004.348 0.020 1 334 30 30 SER C C 175.079 0.300 1 335 30 30 SER CA C 057.190 0.300 1 336 30 30 SER CB C 065.034 0.300 1 337 30 30 SER N N 119.132 0.300 1 338 31 31 GLN H H 009.076 0.020 1 339 31 31 GLN HA H 003.879 0.020 1 340 31 31 GLN HB2 H 002.047 0.020 1 341 31 31 GLN HB3 H 002.234 0.020 1 342 31 31 GLN HG2 H 002.422 0.020 2 343 31 31 GLN HG3 H 002.422 0.020 2 344 31 31 GLN HE21 H 007.031 0.020 1 345 31 31 GLN HE22 H 007.912 0.020 1 346 31 31 GLN C C 177.237 0.300 1 347 31 31 GLN CA C 058.847 0.300 1 348 31 31 GLN CB C 028.323 0.300 1 349 31 31 GLN CG C 033.470 0.300 1 350 31 31 GLN CD C 180.346 0.300 1 351 31 31 GLN N N 121.624 0.300 1 352 31 31 GLN NE2 N 116.184 0.300 1 353 32 32 GLN H H 008.418 0.020 1 354 32 32 GLN HA H 004.161 0.020 1 355 32 32 GLN HB2 H 002.045 0.020 1 356 32 32 GLN HB3 H 002.069 0.020 1 357 32 32 GLN HG2 H 003.899 0.020 2 358 32 32 GLN HG3 H 003.899 0.020 2 359 32 32 GLN HE21 H 007.589 0.020 1 360 32 32 GLN HE22 H 006.914 0.020 1 361 32 32 GLN C C 178.593 0.300 1 362 32 32 GLN CA C 058.947 0.300 1 363 32 32 GLN CB C 028.291 0.300 1 364 32 32 GLN CG C 034.051 0.300 1 365 32 32 GLN CD C 180.552 0.300 1 366 32 32 GLN N N 117.313 0.300 1 367 32 32 GLN NE2 N 112.327 0.300 1 368 33 33 GLU H H 007.695 0.020 1 369 33 33 GLU HA H 003.926 0.020 1 370 33 33 GLU HB2 H 001.786 0.020 1 371 33 33 GLU HB3 H 002.304 0.020 1 372 33 33 GLU HG2 H 002.212 0.020 1 373 33 33 GLU HG3 H 002.327 0.020 1 374 33 33 GLU C C 178.521 0.300 1 375 33 33 GLU CA C 058.562 0.300 1 376 33 33 GLU CB C 030.657 0.300 1 377 33 33 GLU CG C 037.306 0.300 1 378 33 33 GLU N N 118.901 0.300 1 379 34 34 LYS H H 008.353 0.020 1 380 34 34 LYS HA H 003.667 0.020 1 381 34 34 LYS HB2 H 001.881 0.020 2 382 34 34 LYS HB3 H 001.881 0.020 2 383 34 34 LYS HG2 H 001.269 0.020 1 384 34 34 LYS HG3 H 001.552 0.020 1 385 34 34 LYS HD2 H 001.576 0.020 2 386 34 34 LYS HD3 H 001.576 0.020 2 387 34 34 LYS HE2 H 002.892 0.020 2 388 34 34 LYS HE3 H 002.892 0.020 2 389 34 34 LYS C C 178.115 0.300 1 390 34 34 LYS CA C 059.848 0.300 1 391 34 34 LYS CB C 032.449 0.300 1 392 34 34 LYS CG C 026.378 0.300 1 393 34 34 LYS CD C 029.668 0.300 1 394 34 34 LYS CE C 042.137 0.300 1 395 34 34 LYS N N 120.034 0.300 1 396 35 35 ASP H H 008.241 0.020 1 397 35 35 ASP HA H 004.372 0.020 1 398 35 35 ASP HB2 H 002.680 0.020 1 399 35 35 ASP HB3 H 002.799 0.020 1 400 35 35 ASP C C 178.389 0.300 1 401 35 35 ASP CA C 056.765 0.300 1 402 35 35 ASP CB C 040.323 0.300 1 403 35 35 ASP N N 118.678 0.300 1 404 36 36 VAL H H 007.430 0.020 1 405 36 36 VAL HA H 003.949 0.020 1 406 36 36 VAL HB H 002.092 0.020 1 407 36 36 VAL HG1 H 000.912 0.020 2 408 36 36 VAL HG2 H 001.030 0.020 2 409 36 36 VAL C C 177.723 0.300 1 410 36 36 VAL CA C 064.299 0.300 1 411 36 36 VAL CB C 032.482 0.300 1 412 36 36 VAL CG1 C 021.138 0.300 1 413 36 36 VAL CG2 C 021.520 0.300 1 414 36 36 VAL N N 117.093 0.300 1 415 37 37 LEU H H 008.029 0.020 1 416 37 37 LEU HA H 003.997 0.020 1 417 37 37 LEU HB2 H 000.517 0.020 1 418 37 37 LEU HB3 H 001.081 0.020 1 419 37 37 LEU HG H 001.340 0.020 1 420 37 37 LEU HD1 H 000.189 0.020 2 421 37 37 LEU HD2 H 000.494 0.020 2 422 37 37 LEU C C 178.012 0.300 1 423 37 37 LEU CA C 056.536 0.300 1 424 37 37 LEU CB C 041.810 0.300 1 425 37 37 LEU CG C 026.333 0.300 1 426 37 37 LEU CD1 C 024.788 0.300 1 427 37 37 LEU CD2 C 022.801 0.300 1 428 37 37 LEU N N 121.394 0.300 1 429 38 38 PHE H H 008.235 0.020 1 430 38 38 PHE HA H 004.748 0.020 1 431 38 38 PHE HB2 H 003.126 0.020 1 432 38 38 PHE HB3 H 003.266 0.020 1 433 38 38 PHE HD1 H 007.263 0.020 1 434 38 38 PHE HD2 H 007.263 0.020 1 435 38 38 PHE HE1 H 007.318 0.020 1 436 38 38 PHE HE2 H 007.318 0.020 1 437 38 38 PHE C C 176.751 0.300 1 438 38 38 PHE CA C 057.526 0.300 1 439 38 38 PHE CB C 038.769 0.300 1 440 38 38 PHE CD1 C 128.809 0.300 1 441 38 38 PHE N N 117.087 0.300 1 442 39 39 GLY H H 007.888 0.020 1 443 39 39 GLY HA2 H 004.043 0.020 2 444 39 39 GLY HA3 H 004.043 0.020 2 445 39 39 GLY C C 173.341 0.300 1 446 39 39 GLY CA C 045.481 0.300 1 447 39 39 GLY N N 109.844 0.300 1 448 40 40 SER H H 007.930 0.020 1 449 40 40 SER HA H 004.349 0.020 1 450 40 40 SER HB2 H 003.902 0.020 2 451 40 40 SER HB3 H 003.902 0.020 2 452 40 40 SER C C 178.797 0.300 1 453 40 40 SER CA C 059.975 0.300 1 454 40 40 SER CB C 064.922 0.300 1 455 40 40 SER N N 120.944 0.300 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CA)CO' '3D HNHA' '3D HNHB' '3D HCCH-COSY' '3D HCCH-TOCSY' '3D C(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' 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 hit _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 42 29 ASN HA H 004.843 0.020 1 2 42 29 ASN HB2 H 002.921 0.020 2 3 42 29 ASN HB3 H 002.921 0.020 2 4 42 29 ASN HD21 H 006.995 0.020 1 5 42 29 ASN HD22 H 007.695 0.020 1 6 42 29 ASN C C 174.968 0.300 1 7 42 29 ASN CA C 053.401 0.300 1 8 42 29 ASN CB C 039.048 0.300 1 9 42 29 ASN CG C 176.741 0.300 1 10 42 29 ASN ND2 N 113.007 0.300 1 11 43 30 LYS H H 008.512 0.020 1 12 43 30 LYS HA H 004.465 0.020 1 13 43 30 LYS HB2 H 001.740 0.020 2 14 43 30 LYS HB3 H 001.740 0.020 2 15 43 30 LYS HG2 H 001.483 0.020 2 16 43 30 LYS HG3 H 001.483 0.020 2 17 43 30 LYS HD2 H 001.710 0.020 2 18 43 30 LYS HD3 H 001.710 0.020 2 19 43 30 LYS HE2 H 003.017 0.020 2 20 43 30 LYS HE3 H 003.017 0.020 2 21 43 30 LYS C C 175.027 0.300 1 22 43 30 LYS CA C 055.767 0.300 1 23 43 30 LYS CB C 033.743 0.300 1 24 43 30 LYS CG C 024.865 0.300 1 25 43 30 LYS CD C 028.990 0.300 1 26 43 30 LYS CE C 042.468 0.300 1 27 43 30 LYS N N 122.075 0.300 1 28 44 31 THR H H 007.989 0.020 1 29 44 31 THR HA H 004.536 0.020 1 30 44 31 THR HB H 003.902 0.020 1 31 44 31 THR HG2 H 001.199 0.020 1 32 44 31 THR C C 174.116 0.300 1 33 44 31 THR CA C 060.943 0.300 1 34 44 31 THR CB C 071.456 0.300 1 35 44 31 THR CG2 C 021.419 0.300 1 36 44 31 THR N N 115.276 0.300 1 37 45 32 LEU H H 008.893 0.020 1 38 45 32 LEU HA H 004.231 0.020 1 39 45 32 LEU HB2 H 001.340 0.020 1 40 45 32 LEU HB3 H 002.314 0.020 1 41 45 32 LEU HG H 001.481 0.020 1 42 45 32 LEU HD1 H 000.353 0.020 2 43 45 32 LEU HD2 H 000.446 0.020 2 44 45 32 LEU C C 175.976 0.300 1 45 45 32 LEU CA C 055.472 0.300 1 46 45 32 LEU CB C 039.808 0.300 1 47 45 32 LEU CG C 029.096 0.300 1 48 45 32 LEU CD1 C 024.065 0.300 1 49 45 32 LEU CD2 C 025.238 0.300 1 50 45 32 LEU N N 125.923 0.300 1 51 46 33 LYS H H 007.613 0.020 1 52 46 33 LYS HA H 003.855 0.020 1 53 46 33 LYS HB2 H 001.740 0.020 2 54 46 33 LYS HB3 H 001.740 0.020 2 55 46 33 LYS HG2 H 001.364 0.020 1 56 46 33 LYS HG3 H 001.413 0.020 1 57 46 33 LYS HD2 H 001.690 0.020 2 58 46 33 LYS HD3 H 001.690 0.020 2 59 46 33 LYS HE2 H 003.013 0.020 2 60 46 33 LYS HE3 H 003.013 0.020 2 61 46 33 LYS C C 178.311 0.300 1 62 46 33 LYS CA C 059.171 0.300 1 63 46 33 LYS CB C 032.803 0.300 1 64 46 33 LYS CG C 024.587 0.300 1 65 46 33 LYS CD C 028.923 0.300 1 66 46 33 LYS CE C 042.159 0.300 1 67 46 33 LYS N N 122.298 0.300 1 68 47 34 THR H H 010.415 0.020 1 69 47 34 THR HA H 004.043 0.020 1 70 47 34 THR HB H 003.879 0.020 1 71 47 34 THR HG2 H 000.632 0.020 1 72 47 34 THR C C 175.866 0.300 1 73 47 34 THR CA C 063.108 0.300 1 74 47 34 THR CB C 066.923 0.300 1 75 47 34 THR CG2 C 020.895 0.300 1 76 47 34 THR N N 121.170 0.300 1 77 48 35 LYS H H 008.940 0.020 1 78 48 35 LYS HA H 004.043 0.020 1 79 48 35 LYS HB2 H 001.857 0.020 1 80 48 35 LYS HB3 H 001.974 0.020 1 81 48 35 LYS HG2 H 001.505 0.020 2 82 48 35 LYS HG3 H 001.505 0.020 2 83 48 35 LYS HD2 H 001.670 0.020 1 84 48 35 LYS HD3 H 001.834 0.020 1 85 48 35 LYS HE2 H 003.093 0.020 2 86 48 35 LYS HE3 H 003.093 0.020 2 87 48 35 LYS C C 177.620 0.300 1 88 48 35 LYS CA C 059.927 0.300 1 89 48 35 LYS CB C 031.676 0.300 1 90 48 35 LYS CG C 024.387 0.300 1 91 48 35 LYS CD C 028.590 0.300 1 92 48 35 LYS CE C 042.330 0.300 1 93 48 35 LYS N N 133.175 0.300 1 94 49 36 ALA H H 008.741 0.020 1 95 49 36 ALA HA H 004.231 0.020 1 96 49 36 ALA HB H 001.388 0.020 1 97 49 36 ALA C C 180.949 0.300 1 98 49 36 ALA CA C 055.025 0.300 1 99 49 36 ALA CB C 018.301 0.300 1 100 49 36 ALA N N 117.539 0.300 1 101 50 37 PHE H H 006.890 0.020 1 102 50 37 PHE HA H 004.866 0.020 1 103 50 37 PHE HB2 H 003.151 0.020 1 104 50 37 PHE HB3 H 003.479 0.020 1 105 50 37 PHE HD1 H 007.074 0.020 1 106 50 37 PHE HD2 H 007.074 0.020 1 107 50 37 PHE HE1 H 007.309 0.020 1 108 50 37 PHE HE2 H 007.309 0.020 1 109 50 37 PHE HZ H 007.546 0.020 1 110 50 37 PHE C C 177.634 0.300 1 111 50 37 PHE CA C 056.010 0.300 1 112 50 37 PHE CB C 036.338 0.300 1 113 50 37 PHE CD1 C 126.598 0.300 1 114 50 37 PHE CE1 C 128.740 0.300 1 115 50 37 PHE N N 113.690 0.300 1 116 51 38 ASP H H 008.870 0.020 1 117 51 38 ASP HA H 004.584 0.020 1 118 51 38 ASP HB2 H 002.797 0.020 2 119 51 38 ASP HB3 H 002.797 0.020 2 120 51 38 ASP C C 178.111 0.300 1 121 51 38 ASP CA C 059.504 0.300 1 122 51 38 ASP CB C 043.197 0.300 1 123 51 38 ASP N N 122.528 0.300 1 124 52 39 ASP H H 009.087 0.020 1 125 52 39 ASP HA H 004.348 0.020 1 126 52 39 ASP HB2 H 002.727 0.020 2 127 52 39 ASP HB3 H 002.727 0.020 2 128 52 39 ASP C C 178.995 0.300 1 129 52 39 ASP CA C 057.642 0.300 1 130 52 39 ASP CB C 040.205 0.300 1 131 52 39 ASP N N 116.866 0.300 1 132 53 40 ILE H H 007.307 0.020 1 133 53 40 ILE HA H 003.785 0.020 1 134 53 40 ILE HB H 002.210 0.020 1 135 53 40 ILE HG12 H 001.033 0.020 1 136 53 40 ILE HG13 H 002.139 0.020 1 137 53 40 ILE HG2 H 000.706 0.020 1 138 53 40 ILE HD1 H 000.894 0.020 1 139 53 40 ILE C C 177.811 0.300 1 140 53 40 ILE CA C 064.958 0.300 1 141 53 40 ILE CB C 038.671 0.300 1 142 53 40 ILE CG1 C 029.644 0.300 1 143 53 40 ILE CG2 C 013.917 0.300 1 144 53 40 ILE CD1 C 011.571 0.300 1 145 53 40 ILE N N 118.678 0.300 1 146 54 41 TYR H H 008.553 0.020 1 147 54 41 TYR HA H 004.161 0.020 1 148 54 41 TYR HB2 H 003.196 0.020 1 149 54 41 TYR HB3 H 003.266 0.020 1 150 54 41 TYR HD1 H 007.000 0.020 1 151 54 41 TYR HD2 H 007.000 0.020 1 152 54 41 TYR HE1 H 006.696 0.020 1 153 54 41 TYR HE2 H 006.696 0.020 1 154 54 41 TYR C C 177.226 0.300 1 155 54 41 TYR CA C 062.367 0.300 1 156 54 41 TYR CB C 039.957 0.300 1 157 54 41 TYR CD1 C 129.515 0.300 1 158 54 41 TYR CE1 C 115.099 0.300 1 159 54 41 TYR N N 119.127 0.300 1 160 55 42 GLN H H 009.311 0.020 1 161 55 42 GLN HA H 003.644 0.020 1 162 55 42 GLN HB2 H 001.835 0.020 1 163 55 42 GLN HB3 H 002.186 0.020 1 164 55 42 GLN HG2 H 002.562 0.020 1 165 55 42 GLN HG3 H 003.055 0.020 1 166 55 42 GLN HE21 H 006.960 0.020 1 167 55 42 GLN HE22 H 008.976 0.020 1 168 55 42 GLN C C 178.118 0.300 1 169 55 42 GLN CA C 057.355 0.300 1 170 55 42 GLN CB C 027.495 0.300 1 171 55 42 GLN CG C 032.258 0.300 1 172 55 42 GLN CD C 179.669 0.300 1 173 55 42 GLN N N 112.788 0.300 1 174 55 42 GLN NE2 N 115.155 0.300 1 175 56 43 ASN H H 007.213 0.020 1 176 56 43 ASN HA H 004.842 0.020 1 177 56 43 ASN HB2 H 002.844 0.020 1 178 56 43 ASN HB3 H 002.938 0.020 1 179 56 43 ASN HD21 H 007.213 0.020 1 180 56 43 ASN HD22 H 008.123 0.020 1 181 56 43 ASN C C 174.292 0.300 1 182 56 43 ASN CA C 053.495 0.300 1 183 56 43 ASN CB C 040.034 0.300 1 184 56 43 ASN CG C 177.902 0.300 1 185 56 43 ASN N N 110.520 0.300 1 186 56 43 ASN ND2 N 116.407 0.300 1 187 57 44 SER H H 007.201 0.020 1 188 57 44 SER HA H 004.933 0.020 1 189 57 44 SER HB2 H 003.808 0.020 1 190 57 44 SER HB3 H 003.972 0.020 1 191 57 44 SER HG H 005.879 0.020 1 192 57 44 SER C C 173.825 0.300 1 193 57 44 SER CA C 055.676 0.300 1 194 57 44 SER CB C 062.681 0.300 1 195 57 44 SER N N 114.599 0.300 1 196 58 45 ALA H H 008.946 0.020 1 197 58 45 ALA HA H 003.925 0.020 1 198 58 45 ALA HB H 001.411 0.020 1 199 58 45 ALA C C 180.554 0.300 1 200 58 45 ALA CA C 055.234 0.300 1 201 58 45 ALA CB C 017.920 0.300 1 202 58 45 ALA N N 133.175 0.300 1 203 59 46 GLU H H 009.252 0.020 1 204 59 46 GLU HA H 004.067 0.020 1 205 59 46 GLU HB2 H 001.951 0.020 2 206 59 46 GLU HB3 H 001.951 0.020 2 207 59 46 GLU HG2 H 002.350 0.020 1 208 59 46 GLU HG3 H 002.538 0.020 1 209 59 46 GLU C C 179.662 0.300 1 210 59 46 GLU CA C 060.443 0.300 1 211 59 46 GLU CB C 029.205 0.300 1 212 59 46 GLU CG C 037.040 0.300 1 213 59 46 GLU N N 116.639 0.300 1 214 60 47 LEU H H 008.089 0.020 1 215 60 47 LEU HA H 004.161 0.020 1 216 60 47 LEU HB2 H 001.616 0.020 1 217 60 47 LEU HB3 H 001.905 0.020 1 218 60 47 LEU HG H 001.836 0.020 1 219 60 47 LEU HD1 H 000.682 0.020 2 220 60 47 LEU HD2 H 000.682 0.020 2 221 60 47 LEU C C 178.883 0.300 1 222 60 47 LEU CA C 058.066 0.300 1 223 60 47 LEU CB C 042.353 0.300 1 224 60 47 LEU CG C 026.846 0.300 1 225 60 47 LEU CD1 C 024.807 0.300 1 226 60 47 LEU CD2 C 026.105 0.300 1 227 60 47 LEU N N 119.582 0.300 1 228 61 48 GLN H H 007.648 0.020 1 229 61 48 GLN HA H 003.925 0.020 1 230 61 48 GLN HB2 H 002.140 0.020 2 231 61 48 GLN HB3 H 002.140 0.020 2 232 61 48 GLN HG2 H 002.444 0.020 2 233 61 48 GLN HG3 H 002.444 0.020 2 234 61 48 GLN HE21 H 006.249 0.020 1 235 61 48 GLN HE22 H 007.166 0.020 1 236 61 48 GLN C C 179.067 0.300 1 237 61 48 GLN CA C 059.860 0.300 1 238 61 48 GLN CB C 028.041 0.300 1 239 61 48 GLN CG C 033.786 0.300 1 240 61 48 GLN CD C 179.770 0.300 1 241 61 48 GLN N N 115.265 0.300 1 242 61 48 GLN NE2 N 111.653 0.300 1 243 62 49 GLU H H 008.231 0.020 1 244 62 49 GLU HA H 004.020 0.020 1 245 62 49 GLU HB2 H 002.162 0.020 2 246 62 49 GLU HB3 H 002.162 0.020 2 247 62 49 GLU HG2 H 002.445 0.020 1 248 62 49 GLU HG3 H 002.351 0.020 1 249 62 49 GLU C C 179.194 0.300 1 250 62 49 GLU CA C 059.135 0.300 1 251 62 49 GLU CB C 029.215 0.300 1 252 62 49 GLU CG C 035.440 0.300 1 253 62 49 GLU N N 118.672 0.300 1 254 63 50 LEU H H 007.742 0.020 1 255 63 50 LEU HA H 004.119 0.020 1 256 63 50 LEU HB2 H 001.529 0.020 1 257 63 50 LEU HB3 H 002.251 0.020 1 258 63 50 LEU HG H 002.016 0.020 1 259 63 50 LEU HD1 H 001.082 0.020 2 260 63 50 LEU HD2 H 001.058 0.020 2 261 63 50 LEU C C 178.698 0.300 1 262 63 50 LEU CA C 058.195 0.300 1 263 63 50 LEU CB C 043.162 0.300 1 264 63 50 LEU CG C 027.686 0.300 1 265 63 50 LEU CD1 C 023.355 0.300 1 266 63 50 LEU CD2 C 026.280 0.300 1 267 63 50 LEU N N 119.356 0.300 1 268 64 51 LEU H H 007.648 0.020 1 269 64 51 LEU HA H 004.090 0.020 1 270 64 51 LEU HB2 H 001.881 0.020 1 271 64 51 LEU HB3 H 002.022 0.020 1 272 64 51 LEU HG H 002.004 0.020 1 273 64 51 LEU HD1 H 000.800 0.020 2 274 64 51 LEU HD2 H 001.129 0.020 2 275 64 51 LEU C C 176.743 0.300 1 276 64 51 LEU CA C 055.702 0.300 1 277 64 51 LEU CB C 041.841 0.300 1 278 64 51 LEU CG C 027.900 0.300 1 279 64 51 LEU CD1 C 023.791 0.300 1 280 64 51 LEU CD2 C 026.463 0.300 1 281 64 51 LEU N N 114.612 0.300 1 282 65 52 LYS H H 007.436 0.020 1 283 65 52 LYS HA H 004.208 0.020 1 284 65 52 LYS HB2 H 001.880 0.020 2 285 65 52 LYS HB3 H 001.880 0.020 2 286 65 52 LYS HG2 H 001.410 0.020 2 287 65 52 LYS HG3 H 001.410 0.020 2 288 65 52 LYS C C 178.401 0.300 1 289 65 52 LYS CA C 057.478 0.300 1 290 65 52 LYS CB C 032.770 0.300 1 291 65 52 LYS CG C 025.422 0.300 1 292 65 52 LYS CD C 029.622 0.300 1 293 65 52 LYS N N 116.185 0.300 1 294 66 53 TYR H H 007.759 0.020 1 295 66 53 TYR HA H 004.696 0.020 1 296 66 53 TYR HB2 H 003.268 0.020 1 297 66 53 TYR HB3 H 003.385 0.020 1 298 66 53 TYR HD1 H 007.448 0.020 1 299 66 53 TYR HD2 H 007.448 0.020 1 300 66 53 TYR HE1 H 006.930 0.020 1 301 66 53 TYR HE2 H 006.930 0.020 1 302 66 53 TYR C C 177.391 0.300 1 303 66 53 TYR CA C 057.092 0.300 1 304 66 53 TYR CB C 037.484 0.300 1 305 66 53 TYR CD1 C 130.016 0.300 1 306 66 53 TYR CE1 C 115.686 0.300 1 307 66 53 TYR N N 119.129 0.300 1 308 67 54 ASN H H 009.551 0.020 1 309 67 54 ASN HA H 004.420 0.020 1 310 67 54 ASN HB2 H 002.515 0.020 1 311 67 54 ASN HB3 H 003.056 0.020 1 312 67 54 ASN HD21 H 007.066 0.020 1 313 67 54 ASN HD22 H 008.846 0.020 1 314 67 54 ASN C C 177.424 0.300 1 315 67 54 ASN CA C 056.755 0.300 1 316 67 54 ASN CB C 037.957 0.300 1 317 67 54 ASN CG C 175.757 0.300 1 318 67 54 ASN N N 126.152 0.300 1 319 67 54 ASN ND2 N 115.723 0.300 1 320 68 55 THR H H 008.676 0.020 1 321 68 55 THR HA H 003.785 0.020 1 322 68 55 THR HB H 004.137 0.020 1 323 68 55 THR HG2 H 001.293 0.020 1 324 68 55 THR CA C 066.281 0.300 1 325 68 55 THR CB C 068.375 0.300 1 326 68 55 THR CG2 C 022.405 0.300 1 327 68 55 THR N N 112.104 0.300 1 328 69 56 VAL H H 006.608 0.020 1 329 69 56 VAL HA H 003.691 0.020 1 330 69 56 VAL HB H 002.562 0.020 1 331 69 56 VAL HG1 H 000.541 0.020 2 332 69 56 VAL HG2 H 001.035 0.020 2 333 69 56 VAL C C 177.516 0.300 1 334 69 56 VAL CA C 066.010 0.300 1 335 69 56 VAL CB C 031.739 0.300 1 336 69 56 VAL CG1 C 020.930 0.300 1 337 69 56 VAL CG2 C 024.280 0.300 1 338 69 56 VAL N N 120.489 0.300 1 339 70 57 LYS H H 007.812 0.020 1 340 70 57 LYS HA H 003.667 0.020 1 341 70 57 LYS HB2 H 001.787 0.020 2 342 70 57 LYS HB3 H 001.787 0.020 2 343 70 57 LYS C C 176.764 0.300 1 344 70 57 LYS CA C 061.788 0.300 1 345 70 57 LYS CB C 033.091 0.300 1 346 70 57 LYS N N 117.092 0.300 1 347 71 58 PHE H H 008.430 0.020 1 348 71 58 PHE HA H 003.362 0.020 1 349 71 58 PHE HB2 H 002.351 0.020 1 350 71 58 PHE HB3 H 002.632 0.020 1 351 71 58 PHE HD1 H 006.159 0.020 1 352 71 58 PHE HD2 H 006.159 0.020 1 353 71 58 PHE HE1 H 007.141 0.020 1 354 71 58 PHE HE2 H 007.141 0.020 1 355 71 58 PHE C C 177.756 0.300 1 356 71 58 PHE CA C 061.390 0.300 1 357 71 58 PHE CB C 039.242 0.300 1 358 71 58 PHE CD1 C 129.031 0.300 1 359 71 58 PHE CE1 C 128.578 0.300 1 360 71 58 PHE N N 117.092 0.300 1 361 72 59 HIS H H 007.414 0.020 1 362 72 59 HIS HA H 004.467 0.020 1 363 72 59 HIS HB2 H 003.074 0.020 2 364 72 59 HIS HB3 H 003.074 0.020 2 365 72 59 HIS HD2 H 007.053 0.020 1 366 72 59 HIS HE1 H 007.947 0.020 1 367 72 59 HIS C C 178.794 0.300 1 368 72 59 HIS CA C 060.304 0.300 1 369 72 59 HIS CB C 031.739 0.300 1 370 72 59 HIS CD2 C 117.332 0.300 1 371 72 59 HIS CE1 C 136.556 0.300 1 372 72 59 HIS N N 116.863 0.300 1 373 73 60 LEU H H 008.506 0.020 1 374 73 60 LEU HA H 004.044 0.020 1 375 73 60 LEU HB2 H 001.153 0.020 1 376 73 60 LEU HB3 H 001.826 0.020 1 377 73 60 LEU HG H 001.740 0.020 1 378 73 60 LEU HD1 H -000.04 0.020 2 379 73 60 LEU HD2 H 000.494 0.020 2 380 73 60 LEU C C 178.891 0.300 1 381 73 60 LEU CA C 057.738 0.300 1 382 73 60 LEU CB C 041.743 0.300 1 383 73 60 LEU CG C 026.061 0.300 1 384 73 60 LEU CD1 C 026.159 0.300 1 385 73 60 LEU CD2 C 020.825 0.300 1 386 73 60 LEU N N 117.318 0.300 1 387 74 61 ALA H H 009.317 0.020 1 388 74 61 ALA HA H 004.067 0.020 1 389 74 61 ALA HB H 001.764 0.020 1 390 74 61 ALA C C 179.997 0.300 1 391 74 61 ALA CA C 055.347 0.300 1 392 74 61 ALA CB C 018.018 0.300 1 393 74 61 ALA N N 122.077 0.300 1 394 75 62 LYS H H 007.295 0.020 1 395 75 62 LYS HA H 003.832 0.020 1 396 75 62 LYS HB2 H 001.669 0.020 2 397 75 62 LYS HB3 H 001.669 0.020 2 398 75 62 LYS HG2 H 000.753 0.020 1 399 75 62 LYS HG3 H 001.058 0.020 1 400 75 62 LYS HD2 H 001.299 0.020 1 401 75 62 LYS HD3 H 001.358 0.020 1 402 75 62 LYS HE2 H 002.389 0.020 1 403 75 62 LYS HE3 H 002.551 0.020 1 404 75 62 LYS C C 178.896 0.300 1 405 75 62 LYS CA C 059.711 0.300 1 406 75 62 LYS CB C 031.021 0.300 1 407 75 62 LYS CG C 024.448 0.300 1 408 75 62 LYS CD C 028.804 0.300 1 409 75 62 LYS CE C 042.086 0.300 1 410 75 62 LYS N N 119.130 0.300 1 411 76 63 VAL H H 007.524 0.020 1 412 76 63 VAL HA H 003.456 0.020 1 413 76 63 VAL HB H 002.633 0.020 1 414 76 63 VAL HG1 H 001.035 0.020 2 415 76 63 VAL HG2 H 001.364 0.020 2 416 76 63 VAL C C 177.125 0.300 1 417 76 63 VAL CA C 067.491 0.300 1 418 76 63 VAL CB C 031.422 0.300 1 419 76 63 VAL CG1 C 022.232 0.300 1 420 76 63 VAL CG2 C 023.840 0.300 1 421 76 63 VAL N N 118.897 0.300 1 422 77 64 TYR H H 008.782 0.020 1 423 77 64 TYR HA H 004.061 0.020 1 424 77 64 TYR HB2 H 002.915 0.020 1 425 77 64 TYR HB3 H 003.220 0.020 1 426 77 64 TYR HD1 H 007.046 0.020 1 427 77 64 TYR HD2 H 007.046 0.020 1 428 77 64 TYR HE1 H 007.022 0.020 1 429 77 64 TYR HE2 H 007.022 0.020 1 430 77 64 TYR C C 177.830 0.300 1 431 77 64 TYR CA C 061.010 0.300 1 432 77 64 TYR CB C 038.701 0.300 1 433 77 64 TYR CD1 C 129.769 0.300 1 434 77 64 TYR CE1 C 116.157 0.300 1 435 77 64 TYR N N 119.350 0.300 1 436 78 65 ARG H H 008.740 0.020 1 437 78 65 ARG HA H 003.690 0.020 1 438 78 65 ARG HB2 H 001.819 0.020 1 439 78 65 ARG HB3 H 001.922 0.020 1 440 78 65 ARG HG2 H 001.594 0.020 1 441 78 65 ARG HG3 H 001.900 0.020 1 442 78 65 ARG HD2 H 003.103 0.020 1 443 78 65 ARG HD3 H 003.196 0.020 1 444 78 65 ARG C C 179.475 0.300 1 445 78 65 ARG CA C 059.546 0.300 1 446 78 65 ARG CB C 029.576 0.300 1 447 78 65 ARG CG C 027.509 0.300 1 448 78 65 ARG CD C 043.242 0.300 1 449 78 65 ARG N N 121.163 0.300 1 450 79 66 ILE H H 007.971 0.020 1 451 79 66 ILE HA H 003.620 0.020 1 452 79 66 ILE HB H 001.928 0.020 1 453 79 66 ILE HG12 H 000.865 0.020 1 454 79 66 ILE HG13 H 001.834 0.020 1 455 79 66 ILE HG2 H 000.941 0.020 1 456 79 66 ILE HD1 H 000.635 0.020 1 457 79 66 ILE C C 178.972 0.300 1 458 79 66 ILE CA C 065.842 0.300 1 459 79 66 ILE CB C 038.566 0.300 1 460 79 66 ILE CG1 C 028.936 0.300 1 461 79 66 ILE CG2 C 018.700 0.300 1 462 79 66 ILE CD1 C 011.443 0.300 1 463 79 66 ILE N N 121.395 0.300 1 464 80 67 LEU H H 008.059 0.020 1 465 80 67 LEU HA H 003.926 0.020 1 466 80 67 LEU HB2 H 001.528 0.020 1 467 80 67 LEU HB3 H 001.904 0.020 1 468 80 67 LEU HG H 000.940 0.020 1 469 80 67 LEU HD1 H 000.886 0.020 2 470 80 67 LEU HD2 H 000.940 0.020 2 471 80 67 LEU C C 177.726 0.300 1 472 80 67 LEU CA C 057.088 0.300 1 473 80 67 LEU CB C 042.433 0.300 1 474 80 67 LEU CG C 026.213 0.300 1 475 80 67 LEU CD1 C 023.575 0.300 1 476 80 67 LEU CD2 C 026.900 0.300 1 477 80 67 LEU N N 117.090 0.300 1 478 81 68 SER H H 007.656 0.020 1 479 81 68 SER HA H 004.396 0.020 1 480 81 68 SER HB2 H 003.503 0.020 1 481 81 68 SER HB3 H 003.691 0.020 1 482 81 68 SER C C 174.209 0.300 1 483 81 68 SER CA C 058.587 0.300 1 484 81 68 SER CB C 064.026 0.300 1 485 81 68 SER N N 110.747 0.300 1 486 82 69 SER H H 007.436 0.020 1 487 82 69 SER HA H 004.442 0.020 1 488 82 69 SER HB2 H 003.949 0.020 2 489 82 69 SER HB3 H 003.949 0.020 2 490 82 69 SER C C 174.367 0.300 1 491 82 69 SER CA C 058.972 0.300 1 492 82 69 SER CB C 063.980 0.300 1 493 82 69 SER N N 117.316 0.300 1 494 83 70 THR H H 008.335 0.020 1 495 83 70 THR HA H 004.418 0.020 1 496 83 70 THR HB H 004.255 0.020 1 497 83 70 THR HG2 H 001.200 0.020 1 498 83 70 THR C C 174.498 0.300 1 499 83 70 THR CA C 061.758 0.300 1 500 83 70 THR CB C 069.863 0.300 1 501 83 70 THR CG2 C 021.558 0.300 1 502 83 70 THR N N 116.181 0.300 1 503 84 71 VAL H H 008.194 0.020 1 504 84 71 VAL HA H 004.160 0.020 1 505 84 71 VAL HB H 002.069 0.020 1 506 84 71 VAL HG1 H 000.917 0.020 2 507 84 71 VAL HG2 H 000.917 0.020 2 508 84 71 VAL C C 175.681 0.300 1 509 84 71 VAL CA C 062.138 0.300 1 510 84 71 VAL CB C 032.955 0.300 1 511 84 71 VAL CG1 C 020.527 0.300 1 512 84 71 VAL CG2 C 021.200 0.300 1 513 84 71 VAL N N 122.083 0.300 1 514 85 72 ASN H H 008.605 0.020 1 515 85 72 ASN HA H 004.842 0.020 1 516 85 72 ASN HB2 H 002.744 0.020 1 517 85 72 ASN HB3 H 002.867 0.020 1 518 85 72 ASN HD21 H 006.954 0.020 1 519 85 72 ASN HD22 H 007.660 0.020 1 520 85 72 ASN C C 174.868 0.300 1 521 85 72 ASN CA C 053.039 0.300 1 522 85 72 ASN CB C 039.070 0.300 1 523 85 72 ASN CG C 177.019 0.300 1 524 85 72 ASN N N 122.519 0.300 1 525 85 72 ASN ND2 N 113.009 0.300 1 526 86 73 ASP H H 008.306 0.020 1 527 86 73 ASP HA H 004.631 0.020 1 528 86 73 ASP HB2 H 002.680 0.020 1 529 86 73 ASP HB3 H 002.845 0.020 1 530 86 73 ASP C C 177.041 0.300 1 531 86 73 ASP CA C 054.095 0.300 1 532 86 73 ASP CB C 041.202 0.300 1 533 86 73 ASP N N 121.175 0.300 1 534 87 74 GLY H H 008.558 0.020 1 535 87 74 GLY HA2 H 003.950 0.020 1 536 87 74 GLY HA3 H 004.113 0.020 1 537 87 74 GLY C C 174.990 0.300 1 538 87 74 GLY CA C 045.654 0.300 1 539 87 74 GLY N N 109.615 0.300 1 540 88 75 SER H H 008.400 0.020 1 541 88 75 SER HA H 004.513 0.020 1 542 88 75 SER HB2 H 003.949 0.020 2 543 88 75 SER HB3 H 003.949 0.020 2 544 88 75 SER C C 174.990 0.300 1 545 88 75 SER CA C 059.038 0.300 1 546 88 75 SER CB C 063.947 0.300 1 547 88 75 SER N N 116.413 0.300 1 548 89 76 SER H H 008.512 0.020 1 549 89 76 SER HA H 004.538 0.020 1 550 89 76 SER HB2 H 003.973 0.020 2 551 89 76 SER HB3 H 003.973 0.020 2 552 89 76 SER C C 175.175 0.300 1 553 89 76 SER CA C 058.769 0.300 1 554 89 76 SER CB C 063.914 0.300 1 555 89 76 SER N N 117.086 0.300 1 556 90 77 GLY H H 008.441 0.020 1 557 90 77 GLY HA2 H 004.019 0.020 2 558 90 77 GLY HA3 H 004.019 0.020 2 559 90 77 GLY C C 174.212 0.300 1 560 90 77 GLY CA C 045.524 0.300 1 561 90 77 GLY N N 110.745 0.300 1 562 91 78 LYS H H 008.224 0.020 1 563 91 78 LYS HA H 004.347 0.020 1 564 91 78 LYS HB2 H 001.880 0.020 2 565 91 78 LYS HB3 H 001.880 0.020 2 566 91 78 LYS HG2 H 001.458 0.020 2 567 91 78 LYS HG3 H 001.458 0.020 2 568 91 78 LYS C C 176.827 0.300 1 569 91 78 LYS CA C 056.549 0.300 1 570 91 78 LYS CB C 033.178 0.300 1 571 91 78 LYS CG C 024.726 0.300 1 572 91 78 LYS N N 120.942 0.300 1 573 92 79 MET H H 008.488 0.020 1 574 92 79 MET HA H 004.489 0.020 1 575 92 79 MET HB2 H 002.094 0.020 2 576 92 79 MET HB3 H 002.094 0.020 2 577 92 79 MET HG2 H 002.585 0.020 1 578 92 79 MET HG3 H 002.610 0.020 1 579 92 79 MET HE H 002.109 0.020 1 580 92 79 MET C C 176.363 0.300 1 581 92 79 MET CA C 056.005 0.300 1 582 92 79 MET CB C 032.709 0.300 1 583 92 79 MET CG C 032.197 0.300 1 584 92 79 MET CE C 014.392 0.300 1 585 92 79 MET N N 120.713 0.300 1 586 93 80 ASN H H 008.517 0.020 1 587 93 80 ASN HA H 004.747 0.020 1 588 93 80 ASN HB2 H 002.909 0.020 2 589 93 80 ASN HB3 H 002.909 0.020 2 590 93 80 ASN HD21 H 007.765 0.020 1 591 93 80 ASN HD22 H 007.107 0.020 1 592 93 80 ASN C C 175.878 0.300 1 593 93 80 ASN CA C 053.922 0.300 1 594 93 80 ASN CB C 039.065 0.300 1 595 93 80 ASN CG C 176.632 0.300 1 596 93 80 ASN N N 120.259 0.300 1 597 93 80 ASN ND2 N 113.237 0.300 1 598 94 81 SER H H 008.629 0.020 1 599 94 81 SER HA H 004.419 0.020 1 600 94 81 SER HB2 H 003.995 0.020 1 601 94 81 SER HB3 H 004.040 0.020 1 602 94 81 SER C C 176.115 0.300 1 603 94 81 SER CA C 060.555 0.300 1 604 94 81 SER CB C 063.207 0.300 1 605 94 81 SER N N 117.089 0.300 1 606 95 82 ASP H H 008.400 0.020 1 607 95 82 ASP HA H 004.536 0.020 1 608 95 82 ASP HB2 H 002.774 0.020 2 609 95 82 ASP HB3 H 002.774 0.020 2 610 95 82 ASP C C 178.507 0.300 1 611 95 82 ASP CA C 057.131 0.300 1 612 95 82 ASP CB C 040.256 0.300 1 613 95 82 ASP N N 122.080 0.300 1 614 96 83 LEU H H 007.994 0.020 1 615 96 83 LEU HA H 004.231 0.020 1 616 96 83 LEU HB2 H 001.740 0.020 2 617 96 83 LEU HB3 H 001.740 0.020 2 618 96 83 LEU HG H 001.648 0.020 1 619 96 83 LEU HD1 H 000.941 0.020 2 620 96 83 LEU HD2 H 000.965 0.020 2 621 96 83 LEU C C 178.894 0.300 1 622 96 83 LEU CA C 057.866 0.300 1 623 96 83 LEU CB C 041.771 0.300 1 624 96 83 LEU CG C 027.042 0.300 1 625 96 83 LEU CD1 C 024.659 0.300 1 626 96 83 LEU CD2 C 024.027 0.300 1 627 96 83 LEU N N 122.302 0.300 1 628 97 84 GLN H H 008.194 0.020 1 629 97 84 GLN HA H 003.925 0.020 1 630 97 84 GLN HB2 H 002.256 0.020 2 631 97 84 GLN HB3 H 002.256 0.020 2 632 97 84 GLN HG2 H 002.534 0.020 2 633 97 84 GLN HG3 H 002.534 0.020 2 634 97 84 GLN HE21 H 006.825 0.020 1 635 97 84 GLN HE22 H 007.666 0.020 1 636 97 84 GLN C C 178.202 0.300 1 637 97 84 GLN CA C 059.112 0.300 1 638 97 84 GLN CB C 028.764 0.300 1 639 97 84 GLN CG C 035.105 0.300 1 640 97 84 GLN CD C 179.390 0.300 1 641 97 84 GLN N N 117.092 0.300 1 642 97 84 GLN NE2 N 110.746 0.300 1 643 98 85 LYS H H 007.842 0.020 1 644 98 85 LYS HA H 003.880 0.020 1 645 98 85 LYS HB2 H 001.740 0.020 1 646 98 85 LYS HB3 H 001.925 0.020 1 647 98 85 LYS HG2 H 001.247 0.020 2 648 98 85 LYS HG3 H 001.247 0.020 2 649 98 85 LYS HD2 H 001.708 0.020 2 650 98 85 LYS HD3 H 001.708 0.020 2 651 98 85 LYS HE2 H 002.939 0.020 2 652 98 85 LYS HE3 H 002.939 0.020 2 653 98 85 LYS C C 178.095 0.300 1 654 98 85 LYS CA C 060.589 0.300 1 655 98 85 LYS CB C 032.279 0.300 1 656 98 85 LYS CG C 026.396 0.300 1 657 98 85 LYS CD C 029.865 0.300 1 658 98 85 LYS CE C 042.038 0.300 1 659 98 85 LYS N N 117.314 0.300 1 660 99 86 GLU H H 007.830 0.020 1 661 99 86 GLU HA H 004.042 0.020 1 662 99 86 GLU HB2 H 002.233 0.020 2 663 99 86 GLU HB3 H 002.233 0.020 2 664 99 86 GLU HG2 H 002.421 0.020 2 665 99 86 GLU HG3 H 002.421 0.020 2 666 99 86 GLU C C 178.899 0.300 1 667 99 86 GLU CA C 059.494 0.300 1 668 99 86 GLU CB C 029.576 0.300 1 669 99 86 GLU CG C 035.927 0.300 1 670 99 86 GLU N N 119.588 0.300 1 671 100 87 LEU H H 008.341 0.020 1 672 100 87 LEU HA H 004.114 0.020 1 673 100 87 LEU HB2 H 001.481 0.020 1 674 100 87 LEU HB3 H 001.928 0.020 1 675 100 87 LEU HG H 001.904 0.020 1 676 100 87 LEU HD1 H 000.941 0.020 2 677 100 87 LEU HD2 H 000.917 0.020 2 678 100 87 LEU C C 180.636 0.300 1 679 100 87 LEU CA C 057.912 0.300 1 680 100 87 LEU CB C 041.931 0.300 1 681 100 87 LEU CG C 026.641 0.300 1 682 100 87 LEU CD1 C 022.770 0.300 1 683 100 87 LEU CD2 C 025.338 0.300 1 684 100 87 LEU N N 118.902 0.300 1 685 101 88 ALA H H 008.447 0.020 1 686 101 88 ALA HA H 004.160 0.020 1 687 101 88 ALA HB H 001.646 0.020 1 688 101 88 ALA C C 179.126 0.300 1 689 101 88 ALA CA C 055.807 0.300 1 690 101 88 ALA CB C 019.532 0.300 1 691 101 88 ALA N N 123.658 0.300 1 692 102 89 VAL H H 008.588 0.020 1 693 102 89 VAL HA H 003.690 0.020 1 694 102 89 VAL HB H 002.257 0.020 1 695 102 89 VAL HG1 H 001.059 0.020 2 696 102 89 VAL HG2 H 001.106 0.020 2 697 102 89 VAL C C 177.384 0.300 1 698 102 89 VAL CA C 066.493 0.300 1 699 102 89 VAL CB C 031.671 0.300 1 700 102 89 VAL CG1 C 021.512 0.300 1 701 102 89 VAL CG2 C 024.260 0.300 1 702 102 89 VAL N N 118.903 0.300 1 703 103 90 ASN H H 008.441 0.020 1 704 103 90 ASN HA H 004.490 0.020 1 705 103 90 ASN HB2 H 002.892 0.020 1 706 103 90 ASN HB3 H 003.034 0.020 1 707 103 90 ASN HD21 H 007.125 0.020 1 708 103 90 ASN HD22 H 007.630 0.020 1 709 103 90 ASN C C 178.332 0.300 1 710 103 90 ASN CA C 056.001 0.300 1 711 103 90 ASN CB C 037.687 0.300 1 712 103 90 ASN CG C 175.930 0.300 1 713 103 90 ASN N N 119.130 0.300 1 714 103 90 ASN ND2 N 110.967 0.300 1 715 104 91 TYR H H 007.924 0.020 1 716 104 91 TYR HA H 004.350 0.020 1 717 104 91 TYR HB2 H 002.985 0.020 1 718 104 91 TYR HB3 H 003.221 0.020 1 719 104 91 TYR HD1 H 007.052 0.020 1 720 104 91 TYR HD2 H 007.052 0.020 1 721 104 91 TYR HE1 H 006.980 0.020 1 722 104 91 TYR HE2 H 006.980 0.020 1 723 104 91 TYR C C 178.899 0.300 1 724 104 91 TYR CA C 061.883 0.300 1 725 104 91 TYR CB C 038.228 0.300 1 726 104 91 TYR CD1 C 129.634 0.300 1 727 104 91 TYR CE1 C 116.507 0.300 1 728 104 91 TYR N N 119.807 0.300 1 729 105 92 LEU H H 008.621 0.020 1 730 105 92 LEU HA H 003.761 0.020 1 731 105 92 LEU HB2 H 001.645 0.020 1 732 105 92 LEU HB3 H 001.881 0.020 1 733 105 92 LEU HG H 001.645 0.020 1 734 105 92 LEU HD1 H 000.823 0.020 2 735 105 92 LEU HD2 H 000.893 0.020 2 736 105 92 LEU C C 178.690 0.300 1 737 105 92 LEU CA C 058.344 0.300 1 738 105 92 LEU CB C 042.081 0.300 1 739 105 92 LEU CG C 026.960 0.300 1 740 105 92 LEU CD1 C 023.408 0.300 1 741 105 92 LEU CD2 C 025.235 0.300 1 742 105 92 LEU N N 122.305 0.300 1 743 106 93 ASN H H 008.846 0.020 1 744 106 93 ASN HA H 004.466 0.020 1 745 106 93 ASN HB2 H 002.750 0.020 1 746 106 93 ASN HB3 H 002.986 0.020 1 747 106 93 ASN HD21 H 006.690 0.020 1 748 106 93 ASN HD22 H 007.595 0.020 1 749 106 93 ASN C C 178.904 0.300 1 750 106 93 ASN CA C 055.511 0.300 1 751 106 93 ASN CB C 037.417 0.300 1 752 106 93 ASN CG C 175.168 0.300 1 753 106 93 ASN N N 115.279 0.300 1 754 106 93 ASN ND2 N 109.840 0.300 1 755 107 94 THR H H 007.683 0.020 1 756 107 94 THR HA H 004.279 0.020 1 757 107 94 THR HB H 004.038 0.020 1 758 107 94 THR HG2 H 001.504 0.020 1 759 107 94 THR C C 174.113 0.300 1 760 107 94 THR CA C 065.034 0.300 1 761 107 94 THR CB C 070.111 0.300 1 762 107 94 THR CG2 C 021.502 0.300 1 763 107 94 THR N N 111.207 0.300 1 764 108 95 LEU H H 007.242 0.020 1 765 108 95 LEU HA H 004.367 0.020 1 766 108 95 LEU HB2 H 001.223 0.020 1 767 108 95 LEU HB3 H 001.857 0.020 1 768 108 95 LEU HG H 001.363 0.020 1 769 108 95 LEU HD1 H 000.307 0.020 2 770 108 95 LEU HD2 H 000.539 0.020 2 771 108 95 LEU C C 177.463 0.300 1 772 108 95 LEU CA C 054.454 0.300 1 773 108 95 LEU CB C 044.582 0.300 1 774 108 95 LEU CG C 026.026 0.300 1 775 108 95 LEU CD1 C 021.457 0.300 1 776 108 95 LEU CD2 C 027.523 0.300 1 777 108 95 LEU N N 119.584 0.300 1 778 109 96 ARG H H 006.849 0.020 1 779 109 96 ARG HA H 004.532 0.020 1 780 109 96 ARG HB2 H 001.386 0.020 1 781 109 96 ARG HB3 H 001.808 0.020 1 782 109 96 ARG C C 175.785 0.300 1 783 109 96 ARG CA C 056.698 0.300 1 784 109 96 ARG CB C 032.685 0.300 1 785 109 96 ARG CG C 028.804 0.300 1 786 109 96 ARG N N 116.183 0.300 1 787 110 97 TYR H H 008.833 0.020 1 788 110 97 TYR HA H 003.432 0.020 1 789 110 97 TYR HB2 H 002.726 0.020 2 790 110 97 TYR HB3 H 002.726 0.020 2 791 110 97 TYR HD1 H 006.699 0.020 1 792 110 97 TYR HD2 H 006.699 0.020 1 793 110 97 TYR HE1 H 006.697 0.020 1 794 110 97 TYR HE2 H 006.697 0.020 1 795 110 97 TYR C C 177.151 0.300 1 796 110 97 TYR CA C 061.203 0.300 1 797 110 97 TYR CB C 037.932 0.300 1 798 110 97 TYR CD1 C 130.025 0.300 1 799 110 97 TYR CE1 C 115.342 0.300 1 800 110 97 TYR N N 120.033 0.300 1 801 111 98 GLY H H 007.836 0.020 1 802 111 98 GLY HA2 H 003.128 0.020 1 803 111 98 GLY HA3 H 003.996 0.020 1 804 111 98 GLY C C 174.564 0.300 1 805 111 98 GLY CA C 044.522 0.300 1 806 111 98 GLY N N 117.765 0.300 1 807 112 99 GLY H H 008.905 0.020 1 808 112 99 GLY HA2 H 003.878 0.020 1 809 112 99 GLY HA3 H 004.183 0.020 1 810 112 99 GLY C C 176.567 0.300 1 811 112 99 GLY CA C 044.383 0.300 1 812 112 99 GLY N N 110.064 0.300 1 813 113 100 ILE H H 008.588 0.020 1 814 113 100 ILE HA H 004.043 0.020 1 815 113 100 ILE HB H 001.736 0.020 1 816 113 100 ILE HG12 H 000.845 0.020 1 817 113 100 ILE HG13 H 001.010 0.020 1 818 113 100 ILE HG2 H 000.753 0.020 1 819 113 100 ILE HD1 H 000.776 0.020 1 820 113 100 ILE C C 175.968 0.300 1 821 113 100 ILE CA C 063.657 0.300 1 822 113 100 ILE CB C 038.206 0.300 1 823 113 100 ILE CG1 C 026.450 0.300 1 824 113 100 ILE CG2 C 014.416 0.300 1 825 113 100 ILE CD1 C 011.375 0.300 1 826 113 100 ILE N N 118.456 0.300 1 827 114 101 HIS H H 008.699 0.020 1 828 114 101 HIS HA H 005.264 0.020 1 829 114 101 HIS HB2 H 002.563 0.020 1 830 114 101 HIS HB3 H 003.362 0.020 1 831 114 101 HIS HD2 H 007.286 0.020 1 832 114 101 HIS HE1 H 008.597 0.020 1 833 114 101 HIS C C 173.920 0.300 1 834 114 101 HIS CA C 052.752 0.300 1 835 114 101 HIS CB C 029.373 0.300 1 836 114 101 HIS CD2 C 117.343 0.300 1 837 114 101 HIS CE1 C 133.854 0.300 1 838 114 101 HIS N N 120.488 0.300 1 839 115 102 TYR H H 006.713 0.020 1 840 115 102 TYR HA H 003.995 0.020 1 841 115 102 TYR HB2 H 002.563 0.020 1 842 115 102 TYR HB3 H 003.292 0.020 1 843 115 102 TYR HD1 H 006.998 0.020 1 844 115 102 TYR HD2 H 006.998 0.020 1 845 115 102 TYR HE1 H 006.812 0.020 1 846 115 102 TYR HE2 H 006.812 0.020 1 847 115 102 TYR C C 174.037 0.300 1 848 115 102 TYR CA C 057.564 0.300 1 849 115 102 TYR CB C 038.769 0.300 1 850 115 102 TYR CD1 C 130.798 0.300 1 851 115 102 TYR CE1 C 114.291 0.300 1 852 115 102 TYR N N 117.995 0.300 1 853 116 103 ASN H H 009.269 0.020 1 854 116 103 ASN HA H 004.442 0.020 1 855 116 103 ASN HB2 H 002.563 0.020 2 856 116 103 ASN HB3 H 002.563 0.020 2 857 116 103 ASN HD21 H 006.872 0.020 1 858 116 103 ASN HD22 H 007.613 0.020 1 859 116 103 ASN C C 173.335 0.300 1 860 116 103 ASN CA C 052.084 0.300 1 861 116 103 ASN CB C 041.134 0.300 1 862 116 103 ASN CG C 176.051 0.300 1 863 116 103 ASN N N 131.595 0.300 1 864 116 103 ASN ND2 N 111.200 0.300 1 865 117 104 GLU H H 008.670 0.020 1 866 117 104 GLU HA H 003.786 0.020 1 867 117 104 GLU HB2 H 001.975 0.020 2 868 117 104 GLU HB3 H 001.975 0.020 2 869 117 104 GLU HG2 H 002.328 0.020 2 870 117 104 GLU HG3 H 002.328 0.020 2 871 117 104 GLU C C 177.520 0.300 1 872 117 104 GLU CA C 059.836 0.300 1 873 117 104 GLU CB C 029.643 0.300 1 874 117 104 GLU CG C 035.903 0.300 1 875 117 104 GLU N N 126.155 0.300 1 876 118 105 ALA H H 007.865 0.020 1 877 118 105 ALA HA H 004.324 0.020 1 878 118 105 ALA HB H 001.388 0.020 1 879 118 105 ALA C C 179.494 0.300 1 880 118 105 ALA CA C 055.006 0.300 1 881 118 105 ALA CB C 018.490 0.300 1 882 118 105 ALA N N 121.392 0.300 1 883 119 106 ILE H H 007.907 0.020 1 884 119 106 ILE HA H 003.948 0.020 1 885 119 106 ILE HB H 002.303 0.020 1 886 119 106 ILE HG12 H 001.339 0.020 1 887 119 106 ILE HG13 H 001.552 0.020 1 888 119 106 ILE HG2 H 000.823 0.020 1 889 119 106 ILE HD1 H 000.823 0.020 1 890 119 106 ILE C C 178.610 0.300 1 891 119 106 ILE CA C 061.502 0.300 1 892 119 106 ILE CB C 034.645 0.300 1 893 119 106 ILE CG1 C 026.576 0.300 1 894 119 106 ILE CG2 C 014.869 0.300 1 895 119 106 ILE CD1 C 007.529 0.300 1 896 119 106 ILE N N 117.772 0.300 1 897 120 107 GLU H H 008.423 0.020 1 898 120 107 GLU HA H 004.302 0.020 1 899 120 107 GLU HB2 H 002.234 0.020 2 900 120 107 GLU HB3 H 002.234 0.020 2 901 120 107 GLU HG2 H 002.795 0.020 2 902 120 107 GLU HG3 H 002.795 0.020 2 903 120 107 GLU C C 177.533 0.300 1 904 120 107 GLU CA C 059.979 0.300 1 905 120 107 GLU CB C 029.550 0.300 1 906 120 107 GLU CG C 034.938 0.300 1 907 120 107 GLU N N 121.860 0.300 1 908 121 108 GLU H H 008.335 0.020 1 909 121 108 GLU HA H 004.066 0.020 1 910 121 108 GLU HB2 H 002.258 0.020 2 911 121 108 GLU HB3 H 002.258 0.020 2 912 121 108 GLU HG2 H 002.492 0.020 2 913 121 108 GLU HG3 H 002.492 0.020 2 914 121 108 GLU C C 177.640 0.300 1 915 121 108 GLU CA C 059.927 0.300 1 916 121 108 GLU CB C 029.238 0.300 1 917 121 108 GLU CG C 035.694 0.300 1 918 121 108 GLU N N 118.895 0.300 1 919 122 109 PHE H H 008.441 0.020 1 920 122 109 PHE HA H 003.807 0.020 1 921 122 109 PHE HB2 H 003.196 0.020 2 922 122 109 PHE HB3 H 003.196 0.020 2 923 122 109 PHE HD1 H 007.239 0.020 1 924 122 109 PHE HD2 H 007.239 0.020 1 925 122 109 PHE HE1 H 007.122 0.020 1 926 122 109 PHE HE2 H 007.122 0.020 1 927 122 109 PHE C C 175.874 0.300 1 928 122 109 PHE CA C 062.168 0.300 1 929 122 109 PHE CB C 039.414 0.300 1 930 122 109 PHE CD1 C 129.279 0.300 1 931 122 109 PHE CE1 C 128.085 0.300 1 932 122 109 PHE N N 118.902 0.300 1 933 123 110 CYS H H 008.388 0.020 1 934 123 110 CYS HA H 003.832 0.020 1 935 123 110 CYS HB2 H 002.493 0.020 1 936 123 110 CYS HB3 H 003.264 0.020 1 937 123 110 CYS C C 176.082 0.300 1 938 123 110 CYS CA C 064.417 0.300 1 939 123 110 CYS CB C 026.331 0.300 1 940 123 110 CYS N N 114.597 0.300 1 941 124 111 GLN H H 008.694 0.020 1 942 124 111 GLN HA H 003.832 0.020 1 943 124 111 GLN HB2 H 002.186 0.020 2 944 124 111 GLN HB3 H 002.186 0.020 2 945 124 111 GLN HG2 H 002.398 0.020 1 946 124 111 GLN HG3 H 002.633 0.020 1 947 124 111 GLN HE21 H 006.755 0.020 1 948 124 111 GLN HE22 H 008.282 0.020 1 949 124 111 GLN C C 179.165 0.300 1 950 124 111 GLN CA C 059.403 0.300 1 951 124 111 GLN CB C 028.291 0.300 1 952 124 111 GLN CG C 033.631 0.300 1 953 124 111 GLN CD C 180.346 0.300 1 954 124 111 GLN N N 118.676 0.300 1 955 124 111 GLN NE2 N 113.692 0.300 1 956 125 112 ILE H H 008.494 0.020 1 957 125 112 ILE HA H 003.737 0.020 1 958 125 112 ILE HB H 001.599 0.020 1 959 125 112 ILE HG12 H 001.834 0.020 1 960 125 112 ILE HG13 H 001.011 0.020 1 961 125 112 ILE HG2 H 000.707 0.020 1 962 125 112 ILE HD1 H 000.752 0.020 1 963 125 112 ILE C C 178.507 0.300 1 964 125 112 ILE CA C 064.785 0.300 1 965 125 112 ILE CB C 038.363 0.300 1 966 125 112 ILE CG1 C 028.651 0.300 1 967 125 112 ILE CG2 C 014.515 0.300 1 968 125 112 ILE CD1 C 011.838 0.300 1 969 125 112 ILE N N 119.360 0.300 1 970 126 113 LEU H H 007.689 0.020 1 971 126 113 LEU HA H 003.572 0.020 1 972 126 113 LEU HB2 H 000.940 0.020 1 973 126 113 LEU HB3 H 001.293 0.020 1 974 126 113 LEU HG H 000.940 0.020 1 975 126 113 LEU HD1 H -000.21 0.020 2 976 126 113 LEU HD2 H 000.143 0.020 2 977 126 113 LEU C C 178.522 0.300 1 978 126 113 LEU CA C 057.721 0.300 1 979 126 113 LEU CB C 041.230 0.300 1 980 126 113 LEU CG C 026.152 0.300 1 981 126 113 LEU CD1 C 022.097 0.300 1 982 126 113 LEU CD2 C 025.453 0.300 1 983 126 113 LEU N N 118.678 0.300 1 984 127 114 LEU H H 008.582 0.020 1 985 127 114 LEU HA H 003.831 0.020 1 986 127 114 LEU HB2 H 001.387 0.020 1 987 127 114 LEU HB3 H 001.857 0.020 1 988 127 114 LEU HG H 001.809 0.020 1 989 127 114 LEU HD1 H 000.894 0.020 2 990 127 114 LEU HD2 H 000.869 0.020 2 991 127 114 LEU C C 179.326 0.300 1 992 127 114 LEU CA C 058.409 0.300 1 993 127 114 LEU CB C 041.230 0.300 1 994 127 114 LEU CG C 027.107 0.300 1 995 127 114 LEU CD1 C 023.405 0.300 1 996 127 114 LEU CD2 C 025.570 0.300 1 997 127 114 LEU N N 117.994 0.300 1 998 128 115 ASP H H 007.853 0.020 1 999 128 115 ASP HA H 004.419 0.020 1 1000 128 115 ASP HB2 H 002.722 0.020 1 1001 128 115 ASP HB3 H 002.863 0.020 1 1002 128 115 ASP C C 179.281 0.300 1 1003 128 115 ASP CA C 057.337 0.300 1 1004 128 115 ASP CB C 041.050 0.300 1 1005 128 115 ASP N N 118.672 0.300 1 1006 129 116 LYS H H 007.994 0.020 1 1007 129 116 LYS HA H 004.137 0.020 1 1008 129 116 LYS HB2 H 001.763 0.020 1 1009 129 116 LYS HB3 H 001.975 0.020 1 1010 129 116 LYS HG2 H 001.786 0.020 2 1011 129 116 LYS HG3 H 001.786 0.020 2 1012 129 116 LYS HD2 H 001.574 0.020 1 1013 129 116 LYS HD3 H 001.708 0.020 1 1014 129 116 LYS HE2 H 002.948 0.020 2 1015 129 116 LYS HE3 H 002.948 0.020 2 1016 129 116 LYS C C 179.983 0.300 1 1017 129 116 LYS CA C 057.608 0.300 1 1018 129 116 LYS CB C 032.279 0.300 1 1019 129 116 LYS CG C 024.472 0.300 1 1020 129 116 LYS CD C 027.881 0.300 1 1021 129 116 LYS CE C 042.392 0.300 1 1022 129 116 LYS N N 117.541 0.300 1 1023 130 117 LEU H H 008.811 0.020 1 1024 130 117 LEU HA H 004.113 0.020 1 1025 130 117 LEU HB2 H 001.457 0.020 1 1026 130 117 LEU HB3 H 001.810 0.020 1 1027 130 117 LEU HG H 001.599 0.020 1 1028 130 117 LEU HD1 H 000.588 0.020 2 1029 130 117 LEU HD2 H 000.870 0.020 2 1030 130 117 LEU C C 178.887 0.300 1 1031 130 117 LEU CA C 057.182 0.300 1 1032 130 117 LEU CB C 042.013 0.300 1 1033 130 117 LEU CG C 026.507 0.300 1 1034 130 117 LEU CD1 C 025.785 0.300 1 1035 130 117 LEU CD2 C 022.984 0.300 1 1036 130 117 LEU N N 119.810 0.300 1 1037 131 118 ASN H H 007.989 0.020 1 1038 131 118 ASN HA H 004.677 0.020 1 1039 131 118 ASN HB2 H 002.868 0.020 2 1040 131 118 ASN HB3 H 002.868 0.020 2 1041 131 118 ASN HD21 H 007.195 0.020 1 1042 131 118 ASN HD22 H 007.707 0.020 1 1043 131 118 ASN C C 175.578 0.300 1 1044 131 118 ASN CA C 054.273 0.300 1 1045 131 118 ASN CB C 038.836 0.300 1 1046 131 118 ASN CG C 176.922 0.300 1 1047 131 118 ASN N N 116.406 0.300 1 1048 131 118 ASN ND2 N 113.692 0.300 1 1049 132 119 ALA H H 007.530 0.020 1 1050 132 119 ALA HA H 004.348 0.020 1 1051 132 119 ALA HB H 001.505 0.020 1 1052 132 119 ALA C C 177.919 0.300 1 1053 132 119 ALA CA C 053.030 0.300 1 1054 132 119 ALA CB C 019.144 0.300 1 1055 132 119 ALA N N 121.848 0.300 1 1056 133 120 VAL H H 007.712 0.020 1 1057 133 120 VAL HA H 004.090 0.020 1 1058 133 120 VAL HB H 002.205 0.020 1 1059 133 120 VAL HG1 H 001.010 0.020 2 1060 133 120 VAL HG2 H 001.082 0.020 2 1061 133 120 VAL C C 176.066 0.300 1 1062 133 120 VAL CA C 062.682 0.300 1 1063 133 120 VAL CB C 032.347 0.300 1 1064 133 120 VAL CG1 C 021.088 0.300 1 1065 133 120 VAL CG2 C 020.936 0.300 1 1066 133 120 VAL N N 117.769 0.300 1 1067 134 121 LYS H H 008.229 0.020 1 1068 134 121 LYS HA H 004.371 0.020 1 1069 134 121 LYS HB2 H 001.811 0.020 2 1070 134 121 LYS HB3 H 001.811 0.020 2 1071 134 121 LYS HG2 H 001.480 0.020 1 1072 134 121 LYS HG3 H 001.505 0.020 1 1073 134 121 LYS HD2 H 001.740 0.020 2 1074 134 121 LYS HD3 H 001.740 0.020 2 1075 134 121 LYS HE2 H 003.033 0.020 2 1076 134 121 LYS HE3 H 003.033 0.020 2 1077 134 121 LYS C C 175.575 0.300 1 1078 134 121 LYS CA C 056.322 0.300 1 1079 134 121 LYS CB C 032.888 0.300 1 1080 134 121 LYS CG C 024.566 0.300 1 1081 134 121 LYS CD C 028.993 0.300 1 1082 134 121 LYS CE C 042.188 0.300 1 1083 134 121 LYS N N 125.927 0.300 1 1084 135 122 LYS H H 008.083 0.020 1 1085 135 122 LYS HA H 004.184 0.020 1 1086 135 122 LYS HB2 H 001.858 0.020 2 1087 135 122 LYS HB3 H 001.858 0.020 2 1088 135 122 LYS HG2 H 001.435 0.020 2 1089 135 122 LYS HG3 H 001.435 0.020 2 1090 135 122 LYS HD2 H 001.739 0.020 2 1091 135 122 LYS HD3 H 001.739 0.020 2 1092 135 122 LYS HE2 H 003.018 0.020 2 1093 135 122 LYS HE3 H 003.018 0.020 2 1094 135 122 LYS C C 181.433 0.300 1 1095 135 122 LYS CA C 057.641 0.300 1 1096 135 122 LYS CB C 033.699 0.300 1 1097 135 122 LYS CG C 024.808 0.300 1 1098 135 122 LYS CD C 029.121 0.300 1 1099 135 122 LYS CE C 042.192 0.300 1 1100 135 122 LYS N N 128.872 0.300 1 stop_ save_