data_15263 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for NAB2 N-terminal domain ; _BMRB_accession_number 15263 _BMRB_flat_file_name bmr15263.str _Entry_type original _Submission_date 2007-05-22 _Accession_date 2007-05-22 _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 Grant Richard . . 2 Marshall Neil J. . 3 Yang Ji-Chun . . 4 Fasken Milo . . 5 Kelly Seth . . 6 Harreman Michelle T. . 7 Neuhaus David . . 8 Corbett Anita H. . 9 Stewart Murray . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 562 "13C chemical shifts" 339 "15N chemical shifts" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-02 update BMRB 'complete entry citation' 2008-02-21 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the N-Terminal Mlp1-Binding Domain of the Saccharomyces cerevisiae mRNA-Binding Protein, Nab2 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18190927 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Grant Richard P. . 2 Marshall Neil J. . 3 Yang Ji-Chun . . 4 Fasken Milo B. . 5 Kelly Seth M. . 6 Harreman Michelle T. . 7 Neuhaus David . . 8 Corbett Anita H. . 9 Stewart Murray . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 376 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1048 _Page_last 1059 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NAB2 NTD' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NAB2 NTD polypeptide' $NAB2_NTD 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_NAB2_NTD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NAB2_NTD _Molecular_mass 11462.986 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; MSQEQYTENLKVIVAEKLAG IPNFNEDIKYVAEYIVLLIV NGGTVESVVDELASLFDSVS RDTLANVVQTAFFALEALQQ GESAENIVSKIRMMNAQSLG QSDIA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 GLN 4 GLU 5 GLN 6 TYR 7 THR 8 GLU 9 ASN 10 LEU 11 LYS 12 VAL 13 ILE 14 VAL 15 ALA 16 GLU 17 LYS 18 LEU 19 ALA 20 GLY 21 ILE 22 PRO 23 ASN 24 PHE 25 ASN 26 GLU 27 ASP 28 ILE 29 LYS 30 TYR 31 VAL 32 ALA 33 GLU 34 TYR 35 ILE 36 VAL 37 LEU 38 LEU 39 ILE 40 VAL 41 ASN 42 GLY 43 GLY 44 THR 45 VAL 46 GLU 47 SER 48 VAL 49 VAL 50 ASP 51 GLU 52 LEU 53 ALA 54 SER 55 LEU 56 PHE 57 ASP 58 SER 59 VAL 60 SER 61 ARG 62 ASP 63 THR 64 LEU 65 ALA 66 ASN 67 VAL 68 VAL 69 GLN 70 THR 71 ALA 72 PHE 73 PHE 74 ALA 75 LEU 76 GLU 77 ALA 78 LEU 79 GLN 80 GLN 81 GLY 82 GLU 83 SER 84 ALA 85 GLU 86 ASN 87 ILE 88 VAL 89 SER 90 LYS 91 ILE 92 ARG 93 MET 94 MET 95 ASN 96 ALA 97 GLN 98 SER 99 LEU 100 GLY 101 GLN 102 SER 103 ASP 104 ILE 105 ALA 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 2JPS "Nab2 N-Terminal Domain" 100.00 105 100.00 100.00 1.10e-66 PDB 2V75 "N-Terminal Domain Of Nab2" 99.05 104 100.00 100.00 5.28e-66 PDB 3LCN "Nab2:gfd1 Complex" 100.00 105 100.00 100.00 1.10e-66 DBJ GAA23273 "K7_Nab2p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 504 100.00 100.00 9.56e-63 EMBL CAA96830 "NAB2 [Saccharomyces cerevisiae]" 100.00 525 100.00 100.00 1.45e-62 EMBL CAY79645 "Nab2p [Saccharomyces cerevisiae EC1118]" 100.00 497 100.00 100.00 8.29e-63 GB AAA34819 "RNA-binding protein [Saccharomyces cerevisiae]" 100.00 525 100.00 100.00 1.45e-62 GB AAA34820 "RNA-binding protein [Saccharomyces cerevisiae]" 100.00 497 100.00 100.00 8.29e-63 GB AAU09727 "YGL122C [Saccharomyces cerevisiae]" 100.00 525 100.00 100.00 1.45e-62 GB AHY79261 "Nab2p [Saccharomyces cerevisiae YJM993]" 100.00 497 100.00 100.00 8.29e-63 GB AJP38679 "Nab2p [Saccharomyces cerevisiae YJM1078]" 100.00 497 100.00 100.00 8.29e-63 REF NP_011393 "mRNA-binding protein NAB2 [Saccharomyces cerevisiae S288c]" 100.00 525 100.00 100.00 1.45e-62 SP P32505 "RecName: Full=Nuclear polyadenylated RNA-binding protein NAB2" 100.00 525 100.00 100.00 1.45e-62 TPG DAA07987 "TPA: mRNA-binding protein NAB2 [Saccharomyces cerevisiae S288c]" 100.00 525 100.00 100.00 1.45e-62 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NAB2_NTD '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 $NAB2_NTD 'recombinant technology' . Escherichia coli . pET30a 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 $NAB2_NTD 2 mM '[U-98% 13C; U-98% 15N]' D2O 10 % [U-2H] H2O 90 % 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version . loop_ _Vendor _Address _Electronic_address Brunger . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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_2D_1H-13C_HSQC_CT_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC CT' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_15N_filtered_in_F2_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY 15N filtered in F2' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHAHB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHAHB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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_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_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_14 _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' 160 . mM pH 6.0 . pH pressure 1 . atm temperature 300 . 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 TSP C 13 'methyl protons' ppm 0.00 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 TSP H 1 'methyl protons' ppm 0.0 external direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.0 TSP N 15 'methyl protons' ppm 0.00 external indirect . 'separate tube (no insert) 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-13C HSQC CT' '2D 1H-1H NOESY' '3D HNCACB' '3D CBCA(CO)NH' '3D HNHAHB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' '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 'NAB2 NTD polypeptide' _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 SER HA H 4.24 0.01 1 2 2 2 SER HB2 H 4.12 0.01 2 3 2 2 SER HB3 H 4.01 0.01 2 4 2 2 SER CA C 57.3 0.20 1 5 2 2 SER CB C 63.0 0.20 1 6 3 3 GLN H H 7.15 0.01 1 7 3 3 GLN HA H 4.40 0.01 1 8 3 3 GLN HB2 H 2.26 0.01 2 9 3 3 GLN HB3 H 2.06 0.01 2 10 3 3 GLN HE21 H 7.41 0.01 1 11 3 3 GLN HE22 H 6.70 0.01 1 12 3 3 GLN HG2 H 2.38 0.01 1 13 3 3 GLN HG3 H 2.38 0.01 1 14 3 3 GLN CA C 56.6 0.20 1 15 3 3 GLN CB C 28.2 0.20 1 16 3 3 GLN CG C 33.4 0.20 1 17 3 3 GLN NE2 N 110.6 0.10 1 18 4 4 GLU H H 8.84 0.01 1 19 4 4 GLU HA H 4.02 0.01 1 20 4 4 GLU HB2 H 1.97 0.01 1 21 4 4 GLU HB3 H 1.97 0.01 1 22 4 4 GLU HG2 H 2.31 0.01 2 23 4 4 GLU HG3 H 2.25 0.01 2 24 4 4 GLU CA C 58.8 0.20 1 25 4 4 GLU CB C 28.7 0.20 1 26 4 4 GLU CG C 36.2 0.20 1 27 4 4 GLU N N 120.0 0.10 1 28 5 5 GLN H H 8.53 0.01 1 29 5 5 GLN HA H 4.13 0.01 1 30 5 5 GLN HB2 H 1.84 0.01 2 31 5 5 GLN HB3 H 1.74 0.01 2 32 5 5 GLN HE21 H 7.29 0.01 1 33 5 5 GLN HE22 H 6.84 0.01 1 34 5 5 GLN HG2 H 1.74 0.01 1 35 5 5 GLN HG3 H 1.74 0.01 1 36 5 5 GLN CA C 57.3 0.20 1 37 5 5 GLN CB C 28.1 0.20 1 38 5 5 GLN CG C 32.8 0.20 1 39 5 5 GLN N N 119.2 0.10 1 40 5 5 GLN NE2 N 112.0 0.10 1 41 6 6 TYR H H 7.80 0.01 1 42 6 6 TYR HA H 4.76 0.01 1 43 6 6 TYR HB2 H 3.22 0.01 2 44 6 6 TYR HB3 H 2.73 0.01 2 45 6 6 TYR HD1 H 7.16 0.01 1 46 6 6 TYR HD2 H 7.16 0.01 1 47 6 6 TYR HE1 H 6.78 0.01 1 48 6 6 TYR HE2 H 6.78 0.01 1 49 6 6 TYR CA C 58.2 0.20 1 50 6 6 TYR CB C 38.2 0.20 1 51 6 6 TYR CD1 C 133.0 0.20 1 52 6 6 TYR CD2 C 133.0 0.20 1 53 6 6 TYR CE1 C 118.4 0.20 1 54 6 6 TYR CE2 C 118.4 0.20 1 55 6 6 TYR N N 117.7 0.10 1 56 7 7 THR H H 7.64 0.01 1 57 7 7 THR HA H 3.54 0.01 1 58 7 7 THR HB H 4.14 0.01 1 59 7 7 THR HG2 H 1.13 0.01 1 60 7 7 THR CA C 67.2 0.20 1 61 7 7 THR CB C 68.5 0.20 1 62 7 7 THR CG2 C 22.2 0.20 1 63 7 7 THR N N 114.4 0.10 1 64 8 8 GLU H H 8.38 0.01 1 65 8 8 GLU HA H 3.96 0.01 1 66 8 8 GLU HB2 H 2.01 0.01 2 67 8 8 GLU HB3 H 1.97 0.01 2 68 8 8 GLU CA C 59.6 0.20 1 69 8 8 GLU CB C 28.3 0.20 1 70 8 8 GLU N N 119.7 0.10 1 71 9 9 ASN H H 8.41 0.01 1 72 9 9 ASN HA H 4.55 0.01 1 73 9 9 ASN HB2 H 2.86 0.01 2 74 9 9 ASN HB3 H 2.45 0.01 2 75 9 9 ASN HD21 H 7.73 0.01 1 76 9 9 ASN HD22 H 7.21 0.01 1 77 9 9 ASN CA C 55.3 0.20 1 78 9 9 ASN CB C 39.0 0.20 1 79 9 9 ASN N N 117.2 0.10 1 80 9 9 ASN ND2 N 112.0 0.10 1 81 10 10 LEU H H 8.64 0.01 1 82 10 10 LEU HA H 3.99 0.01 1 83 10 10 LEU HB2 H 1.70 0.01 2 84 10 10 LEU HB3 H 1.55 0.01 2 85 10 10 LEU HD1 H 0.73 0.01 2 86 10 10 LEU HD2 H 0.86 0.01 2 87 10 10 LEU HG H 0.76 0.01 1 88 10 10 LEU CA C 57.4 0.20 1 89 10 10 LEU CB C 42.0 0.20 1 90 10 10 LEU CD1 C 24.9 0.20 2 91 10 10 LEU CD2 C 24.3 0.20 2 92 10 10 LEU CG C 26.2 0.20 1 93 10 10 LEU N N 119.7 0.10 1 94 11 11 LYS H H 8.09 0.01 1 95 11 11 LYS HA H 3.62 0.01 1 96 11 11 LYS HB2 H 1.97 0.01 2 97 11 11 LYS HB3 H 1.92 0.01 2 98 11 11 LYS HD2 H 1.70 0.01 1 99 11 11 LYS HD3 H 1.70 0.01 1 100 11 11 LYS HE2 H 2.78 0.01 1 101 11 11 LYS HE3 H 2.78 0.01 1 102 11 11 LYS HG2 H 1.14 0.01 2 103 11 11 LYS HG3 H 1.78 0.01 2 104 11 11 LYS CA C 61.1 0.20 1 105 11 11 LYS CB C 32.1 0.20 1 106 11 11 LYS CD C 29.7 0.20 1 107 11 11 LYS CE C 41.7 0.20 1 108 11 11 LYS CG C 26.5 0.20 1 109 11 11 LYS N N 118.2 0.10 1 110 12 12 VAL H H 7.14 0.01 1 111 12 12 VAL HA H 3.62 0.01 1 112 12 12 VAL HB H 2.27 0.01 1 113 12 12 VAL HG1 H 1.10 0.01 2 114 12 12 VAL HG2 H 0.94 0.01 2 115 12 12 VAL CA C 66.2 0.20 1 116 12 12 VAL CB C 31.8 0.20 1 117 12 12 VAL CG1 C 22.0 0.20 2 118 12 12 VAL CG2 C 20.8 0.20 2 119 12 12 VAL N N 118.7 0.10 1 120 13 13 ILE H H 7.66 0.01 1 121 13 13 ILE HA H 3.38 0.01 1 122 13 13 ILE HB H 1.81 0.01 1 123 13 13 ILE HD1 H 0.82 0.01 1 124 13 13 ILE HG12 H 1.81 0.01 2 125 13 13 ILE HG13 H 0.92 0.01 2 126 13 13 ILE HG2 H 0.66 0.01 1 127 13 13 ILE CA C 65.5 0.20 1 128 13 13 ILE CB C 38.8 0.20 1 129 13 13 ILE CD1 C 15.2 0.20 1 130 13 13 ILE CG1 C 30.3 0.20 1 131 13 13 ILE CG2 C 16.6 0.20 1 132 13 13 ILE N N 121.1 0.10 1 133 14 14 VAL H H 8.72 0.01 1 134 14 14 VAL HA H 3.27 0.01 1 135 14 14 VAL HB H 1.96 0.01 1 136 14 14 VAL HG1 H 0.88 0.01 2 137 14 14 VAL HG2 H 0.81 0.01 2 138 14 14 VAL CA C 67.0 0.20 1 139 14 14 VAL CB C 31.1 0.20 1 140 14 14 VAL CG1 C 24.3 0.20 2 141 14 14 VAL CG2 C 22.6 0.20 2 142 14 14 VAL N N 118.0 0.10 1 143 15 15 ALA H H 8.07 0.01 1 144 15 15 ALA HA H 3.83 0.01 1 145 15 15 ALA HB H 1.37 0.01 1 146 15 15 ALA CA C 55.8 0.20 1 147 15 15 ALA CB C 17.6 0.20 1 148 15 15 ALA N N 121.2 0.10 1 149 16 16 GLU H H 7.71 0.01 1 150 16 16 GLU HA H 3.85 0.01 1 151 16 16 GLU HB2 H 2.14 0.01 2 152 16 16 GLU HB3 H 2.04 0.01 2 153 16 16 GLU HG2 H 2.39 0.01 1 154 16 16 GLU HG3 H 2.39 0.01 1 155 16 16 GLU CA C 58.9 0.20 1 156 16 16 GLU CB C 28.3 0.20 1 157 16 16 GLU CG C 35.5 0.20 1 158 16 16 GLU N N 118.4 0.10 1 159 17 17 LYS H H 7.76 0.01 1 160 17 17 LYS HA H 4.09 0.01 1 161 17 17 LYS HB2 H 2.25 0.01 2 162 17 17 LYS HB3 H 1.77 0.01 2 163 17 17 LYS HE2 H 2.83 0.01 1 164 17 17 LYS HE3 H 2.83 0.01 1 165 17 17 LYS CA C 57.2 0.20 1 166 17 17 LYS CB C 31.2 0.20 1 167 17 17 LYS CE C 42.2 0.20 1 168 17 17 LYS N N 118.5 0.10 1 169 18 18 LEU H H 8.44 0.01 1 170 18 18 LEU HA H 3.67 0.01 1 171 18 18 LEU HB2 H 1.92 0.01 2 172 18 18 LEU HB3 H 0.96 0.01 2 173 18 18 LEU HD1 H 0.68 0.01 2 174 18 18 LEU HD2 H 0.32 0.01 2 175 18 18 LEU HG H 1.69 0.01 1 176 18 18 LEU CA C 57.0 0.20 1 177 18 18 LEU CB C 42.2 0.20 1 178 18 18 LEU CD1 C 27.6 0.20 2 179 18 18 LEU CD2 C 22.9 0.20 2 180 18 18 LEU CG C 26.2 0.20 1 181 18 18 LEU N N 119.4 0.10 1 182 19 19 ALA H H 7.70 0.01 1 183 19 19 ALA HA H 4.07 0.01 1 184 19 19 ALA HB H 1.45 0.01 1 185 19 19 ALA CA C 53.7 0.20 1 186 19 19 ALA CB C 17.8 0.20 1 187 19 19 ALA N N 119.0 0.10 1 188 20 20 GLY H H 7.38 0.01 1 189 20 20 GLY HA2 H 4.17 0.01 2 190 20 20 GLY HA3 H 3.60 0.01 2 191 20 20 GLY CA C 44.6 0.20 1 192 20 20 GLY N N 103.3 0.10 1 193 21 21 ILE H H 7.27 0.01 1 194 21 21 ILE HA H 4.32 0.01 1 195 21 21 ILE HB H 1.82 0.01 1 196 21 21 ILE HD1 H 0.43 0.01 1 197 21 21 ILE HG12 H 1.54 0.01 2 198 21 21 ILE HG13 H 0.96 0.01 2 199 21 21 ILE HG2 H 0.90 0.01 1 200 21 21 ILE CA C 58.7 0.20 1 201 21 21 ILE CB C 37.9 0.20 1 202 21 21 ILE CD1 C 13.4 0.20 1 203 21 21 ILE CG1 C 26.6 0.20 1 204 21 21 ILE CG2 C 16.8 0.20 1 205 21 21 ILE N N 122.5 0.10 1 206 22 22 PRO HA H 4.38 0.01 1 207 22 22 PRO HB2 H 2.26 0.01 2 208 22 22 PRO HB3 H 1.89 0.01 2 209 22 22 PRO HD2 H 4.11 0.01 2 210 22 22 PRO HD3 H 3.69 0.01 2 211 22 22 PRO HG2 H 2.06 0.01 2 212 22 22 PRO HG3 H 1.98 0.01 2 213 22 22 PRO CA C 63.3 0.20 1 214 22 22 PRO CB C 31.9 0.20 1 215 22 22 PRO CD C 51.0 0.20 1 216 22 22 PRO CG C 27.2 0.20 1 217 23 23 ASN H H 8.80 0.01 1 218 23 23 ASN HA H 4.31 0.01 1 219 23 23 ASN HB2 H 2.92 0.01 2 220 23 23 ASN HB3 H 2.82 0.01 2 221 23 23 ASN HD21 H 7.58 0.01 1 222 23 23 ASN HD22 H 6.88 0.01 1 223 23 23 ASN CA C 54.0 0.20 1 224 23 23 ASN CB C 37.3 0.20 1 225 23 23 ASN N N 115.2 0.10 1 226 23 23 ASN ND2 N 113.6 0.10 1 227 24 24 PHE H H 7.72 0.01 1 228 24 24 PHE HA H 4.47 0.01 1 229 24 24 PHE HB2 H 3.18 0.01 2 230 24 24 PHE HB3 H 2.79 0.01 2 231 24 24 PHE HD1 H 7.15 0.01 1 232 24 24 PHE HD2 H 7.15 0.01 1 233 24 24 PHE HE1 H 6.79 0.01 1 234 24 24 PHE HE2 H 6.79 0.01 1 235 24 24 PHE HZ H 6.53 0.01 1 236 24 24 PHE CA C 58.3 0.20 1 237 24 24 PHE CB C 39.4 0.20 1 238 24 24 PHE CD1 C 132.1 0.20 1 239 24 24 PHE CD2 C 132.1 0.20 1 240 24 24 PHE CE1 C 130.7 0.20 1 241 24 24 PHE CE2 C 130.7 0.20 1 242 24 24 PHE CZ C 128.3 0.20 1 243 24 24 PHE N N 119.6 0.10 1 244 25 25 ASN H H 8.54 0.01 1 245 25 25 ASN HA H 4.78 0.01 1 246 25 25 ASN HB2 H 2.77 0.01 2 247 25 25 ASN HB3 H 2.55 0.01 2 248 25 25 ASN HD21 H 7.40 0.01 1 249 25 25 ASN HD22 H 6.75 0.01 1 250 25 25 ASN CA C 53.1 0.20 1 251 25 25 ASN CB C 38.6 0.20 1 252 25 25 ASN N N 124.3 0.10 1 253 25 25 ASN ND2 N 112.6 0.10 1 254 26 26 GLU H H 5.94 0.01 1 255 26 26 GLU HA H 4.30 0.01 1 256 26 26 GLU HB2 H 1.75 0.01 2 257 26 26 GLU HB3 H 0.80 0.01 2 258 26 26 GLU HG2 H 1.65 0.01 2 259 26 26 GLU HG3 H 1.55 0.01 2 260 26 26 GLU CA C 53.7 0.20 1 261 26 26 GLU CB C 31.1 0.20 1 262 26 26 GLU CG C 34.5 0.20 1 263 26 26 GLU N N 115.9 0.10 1 264 27 27 ASP H H 8.77 0.01 1 265 27 27 ASP HA H 4.54 0.01 1 266 27 27 ASP HB2 H 2.97 0.01 2 267 27 27 ASP HB3 H 2.59 0.01 2 268 27 27 ASP CA C 54.0 0.20 1 269 27 27 ASP CB C 41.0 0.20 1 270 27 27 ASP N N 120.1 0.10 1 271 28 28 ILE H H 8.32 0.01 1 272 28 28 ILE HA H 3.49 0.01 1 273 28 28 ILE HB H 1.89 0.01 1 274 28 28 ILE HD1 H 0.91 0.01 1 275 28 28 ILE HG12 H 1.82 0.01 2 276 28 28 ILE HG13 H 1.13 0.01 2 277 28 28 ILE HG2 H 0.95 0.01 1 278 28 28 ILE CA C 65.8 0.20 1 279 28 28 ILE CB C 37.8 0.20 1 280 28 28 ILE CD1 C 12.7 0.20 1 281 28 28 ILE CG1 C 29.2 0.20 1 282 28 28 ILE CG2 C 17.9 0.20 1 283 28 28 ILE N N 126.9 0.10 1 284 29 29 LYS H H 8.02 0.01 1 285 29 29 LYS HA H 3.91 0.01 1 286 29 29 LYS HB2 H 1.90 0.01 2 287 29 29 LYS HB3 H 1.87 0.01 2 288 29 29 LYS HD2 H 1.69 0.01 1 289 29 29 LYS HD3 H 1.69 0.01 1 290 29 29 LYS HE2 H 3.00 0.01 1 291 29 29 LYS HE3 H 3.00 0.01 1 292 29 29 LYS HG2 H 1.52 0.01 2 293 29 29 LYS HG3 H 1.34 0.01 2 294 29 29 LYS CA C 59.9 0.20 1 295 29 29 LYS CB C 31.8 0.20 1 296 29 29 LYS CD C 29.1 0.20 1 297 29 29 LYS CE C 41.8 0.20 1 298 29 29 LYS CG C 25.2 0.20 1 299 29 29 LYS N N 118.8 0.10 1 300 30 30 TYR H H 7.74 0.01 1 301 30 30 TYR HA H 4.32 0.01 1 302 30 30 TYR HB2 H 3.19 0.01 2 303 30 30 TYR HB3 H 3.06 0.01 2 304 30 30 TYR HD1 H 7.19 0.01 1 305 30 30 TYR HD2 H 7.19 0.01 1 306 30 30 TYR HE1 H 6.81 0.01 1 307 30 30 TYR HE2 H 6.81 0.01 1 308 30 30 TYR CA C 60.4 0.20 1 309 30 30 TYR CB C 38.3 0.20 1 310 30 30 TYR CD1 C 133.4 0.20 1 311 30 30 TYR CD2 C 133.4 0.20 1 312 30 30 TYR CE1 C 117.8 0.20 1 313 30 30 TYR CE2 C 117.8 0.20 1 314 30 30 TYR N N 120.3 0.10 1 315 31 31 VAL H H 8.35 0.01 1 316 31 31 VAL HA H 3.32 0.01 1 317 31 31 VAL HB H 1.89 0.01 1 318 31 31 VAL HG1 H 0.85 0.01 2 319 31 31 VAL HG2 H 0.74 0.01 2 320 31 31 VAL CA C 66.8 0.20 1 321 31 31 VAL CB C 31.1 0.20 1 322 31 31 VAL CG1 C 23.1 0.20 2 323 31 31 VAL CG2 C 21.8 0.20 2 324 31 31 VAL N N 119.0 0.10 1 325 32 32 ALA H H 8.65 0.01 1 326 32 32 ALA HA H 3.80 0.01 1 327 32 32 ALA HB H 1.35 0.01 1 328 32 32 ALA CA C 55.7 0.20 1 329 32 32 ALA CB C 18.2 0.20 1 330 32 32 ALA N N 120.3 0.10 1 331 33 33 GLU H H 7.69 0.01 1 332 33 33 GLU HA H 3.62 0.01 1 333 33 33 GLU HB2 H 2.17 0.01 2 334 33 33 GLU HB3 H 2.15 0.01 2 335 33 33 GLU HG2 H 2.30 0.01 2 336 33 33 GLU HG3 H 2.18 0.01 2 337 33 33 GLU CA C 59.9 0.20 1 338 33 33 GLU CB C 29.1 0.20 1 339 33 33 GLU CG C 36.6 0.20 1 340 33 33 GLU N N 115.7 0.10 1 341 34 34 TYR H H 8.08 0.01 1 342 34 34 TYR HA H 4.07 0.01 1 343 34 34 TYR HB2 H 2.93 0.01 2 344 34 34 TYR HB3 H 2.82 0.01 2 345 34 34 TYR HD1 H 6.93 0.01 1 346 34 34 TYR HD2 H 6.93 0.01 1 347 34 34 TYR HE1 H 6.70 0.01 1 348 34 34 TYR HE2 H 6.70 0.01 1 349 34 34 TYR CA C 61.1 0.20 1 350 34 34 TYR CB C 38.7 0.20 1 351 34 34 TYR CD1 C 132.2 0.20 1 352 34 34 TYR CD2 C 132.2 0.20 1 353 34 34 TYR CE1 C 118.2 0.20 1 354 34 34 TYR CE2 C 118.2 0.20 1 355 34 34 TYR N N 121.3 0.10 1 356 35 35 ILE H H 8.41 0.01 1 357 35 35 ILE HA H 3.30 0.01 1 358 35 35 ILE HB H 1.88 0.01 1 359 35 35 ILE HD1 H 0.63 0.01 1 360 35 35 ILE HG12 H 2.14 0.01 2 361 35 35 ILE HG13 H 0.83 0.01 2 362 35 35 ILE HG2 H 0.66 0.01 1 363 35 35 ILE CA C 66.5 0.20 1 364 35 35 ILE CB C 37.9 0.20 1 365 35 35 ILE CD1 C 14.4 0.20 1 366 35 35 ILE CG1 C 30.6 0.20 1 367 35 35 ILE CG2 C 16.5 0.20 1 368 35 35 ILE N N 116.2 0.10 1 369 36 36 VAL H H 7.86 0.01 1 370 36 36 VAL HA H 3.22 0.01 1 371 36 36 VAL HB H 2.05 0.01 1 372 36 36 VAL HG1 H 0.88 0.01 2 373 36 36 VAL HG2 H 0.99 0.01 2 374 36 36 VAL CA C 68.0 0.20 1 375 36 36 VAL CB C 31.0 0.20 1 376 36 36 VAL CG1 C 24.2 0.20 2 377 36 36 VAL CG2 C 22.3 0.20 2 378 36 36 VAL N N 116.6 0.10 1 379 37 37 LEU H H 8.19 0.01 1 380 37 37 LEU HA H 3.92 0.01 1 381 37 37 LEU HB2 H 1.66 0.01 1 382 37 37 LEU HB3 H 1.66 0.01 1 383 37 37 LEU HD1 H 0.79 0.01 2 384 37 37 LEU HD2 H 0.77 0.01 2 385 37 37 LEU HG H 1.61 0.01 1 386 37 37 LEU CA C 58.2 0.20 1 387 37 37 LEU CB C 41.3 0.20 1 388 37 37 LEU CD1 C 24.4 0.20 2 389 37 37 LEU CD2 C 23.9 0.20 2 390 37 37 LEU CG C 26.7 0.20 1 391 37 37 LEU N N 120.2 0.10 1 392 38 38 LEU H H 7.72 0.01 1 393 38 38 LEU HA H 3.89 0.01 1 394 38 38 LEU HB2 H 1.98 0.01 2 395 38 38 LEU HB3 H 1.36 0.01 2 396 38 38 LEU HD1 H 0.74 0.01 2 397 38 38 LEU HD2 H 0.74 0.01 2 398 38 38 LEU HG H 0.75 0.01 1 399 38 38 LEU CA C 57.5 0.20 1 400 38 38 LEU CB C 42.5 0.20 1 401 38 38 LEU CD1 C 21.7 0.20 2 402 38 38 LEU CD2 C 21.7 0.20 2 403 38 38 LEU CG C 26.5 0.20 1 404 38 38 LEU N N 116.7 0.10 1 405 39 39 ILE H H 7.90 0.01 1 406 39 39 ILE HA H 3.34 0.01 1 407 39 39 ILE HB H 1.71 0.01 1 408 39 39 ILE HD1 H 0.23 0.01 1 409 39 39 ILE HG12 H 1.78 0.01 2 410 39 39 ILE HG13 H 0.57 0.01 2 411 39 39 ILE HG2 H 0.23 0.01 1 412 39 39 ILE CA C 66.0 0.20 1 413 39 39 ILE CB C 37.9 0.20 1 414 39 39 ILE CD1 C 14.7 0.20 1 415 39 39 ILE CG1 C 28.4 0.20 1 416 39 39 ILE CG2 C 15.4 0.20 1 417 39 39 ILE N N 120.1 0.10 1 418 40 40 VAL H H 8.96 0.01 1 419 40 40 VAL HA H 3.81 0.01 1 420 40 40 VAL HB H 2.19 0.01 1 421 40 40 VAL HG1 H 0.90 0.01 2 422 40 40 VAL HG2 H 0.99 0.01 2 423 40 40 VAL CA C 65.3 0.20 1 424 40 40 VAL CB C 31.0 0.20 1 425 40 40 VAL CG1 C 20.9 0.20 2 426 40 40 VAL CG2 C 20.7 0.20 2 427 40 40 VAL N N 119.2 0.10 1 428 41 41 ASN H H 7.62 0.01 1 429 41 41 ASN HA H 4.80 0.01 1 430 41 41 ASN HB2 H 2.96 0.01 2 431 41 41 ASN HB3 H 2.73 0.01 2 432 41 41 ASN HD21 H 7.62 0.01 1 433 41 41 ASN HD22 H 6.86 0.01 1 434 41 41 ASN CA C 53.5 0.20 1 435 41 41 ASN CB C 38.3 0.20 1 436 41 41 ASN N N 117.0 0.10 1 437 41 41 ASN ND2 N 112.1 0.10 1 438 42 42 GLY H H 7.68 0.01 1 439 42 42 GLY HA2 H 4.31 0.01 2 440 42 42 GLY HA3 H 3.85 0.01 2 441 42 42 GLY CA C 45.7 0.20 1 442 42 42 GLY N N 106.1 0.10 1 443 43 43 GLY H H 7.94 0.01 1 444 43 43 GLY HA2 H 4.07 0.01 2 445 43 43 GLY HA3 H 3.40 0.01 2 446 43 43 GLY CA C 45.5 0.20 1 447 43 43 GLY N N 107.2 0.10 1 448 44 44 THR H H 8.46 0.01 1 449 44 44 THR HA H 4.58 0.01 1 450 44 44 THR HB H 4.53 0.01 1 451 44 44 THR HG2 H 1.27 0.01 1 452 44 44 THR CA C 59.2 0.20 1 453 44 44 THR CB C 71.9 0.20 1 454 44 44 THR CG2 C 21.8 0.20 1 455 44 44 THR N N 110.7 0.10 1 456 45 45 VAL H H 8.19 0.01 1 457 45 45 VAL HA H 3.18 0.01 1 458 45 45 VAL HB H 1.66 0.01 1 459 45 45 VAL HG1 H 0.71 0.01 2 460 45 45 VAL HG2 H 0.41 0.01 2 461 45 45 VAL CA C 66.8 0.20 1 462 45 45 VAL CB C 31.1 0.20 1 463 45 45 VAL CG1 C 20.6 0.20 2 464 45 45 VAL CG2 C 21.9 0.20 2 465 45 45 VAL N N 120.1 0.10 1 466 46 46 GLU H H 8.11 0.01 1 467 46 46 GLU HA H 3.82 0.01 1 468 46 46 GLU HB2 H 1.91 0.01 1 469 46 46 GLU HB3 H 1.91 0.01 1 470 46 46 GLU CA C 59.9 0.20 1 471 46 46 GLU CB C 29.2 0.20 1 472 46 46 GLU N N 114.3 0.10 1 473 47 47 SER H H 8.21 0.01 1 474 47 47 SER HA H 4.21 0.01 1 475 47 47 SER HB2 H 4.09 0.01 2 476 47 47 SER HB3 H 3.87 0.01 2 477 47 47 SER CA C 61.5 0.20 1 478 47 47 SER CB C 62.2 0.20 1 479 47 47 SER N N 116.8 0.10 1 480 48 48 VAL H H 8.66 0.01 1 481 48 48 VAL HA H 3.75 0.01 1 482 48 48 VAL HB H 2.29 0.01 1 483 48 48 VAL HG1 H 1.09 0.01 2 484 48 48 VAL HG2 H 1.00 0.01 2 485 48 48 VAL CA C 66.8 0.20 1 486 48 48 VAL CB C 31.4 0.20 1 487 48 48 VAL CG1 C 23.1 0.20 2 488 48 48 VAL CG2 C 22.5 0.20 2 489 48 48 VAL N N 125.8 0.10 1 490 49 49 VAL H H 8.28 0.01 1 491 49 49 VAL HA H 3.35 0.01 1 492 49 49 VAL HB H 2.13 0.01 1 493 49 49 VAL HG1 H 1.03 0.01 2 494 49 49 VAL HG2 H 0.92 0.01 2 495 49 49 VAL CA C 68.2 0.20 1 496 49 49 VAL CB C 31.1 0.20 1 497 49 49 VAL CG1 C 24.5 0.20 2 498 49 49 VAL CG2 C 21.6 0.20 2 499 49 49 VAL N N 118.8 0.10 1 500 50 50 ASP H H 8.06 0.01 1 501 50 50 ASP HA H 4.35 0.01 1 502 50 50 ASP HB2 H 2.80 0.01 2 503 50 50 ASP HB3 H 2.59 0.01 2 504 50 50 ASP CA C 57.8 0.20 1 505 50 50 ASP CB C 40.1 0.20 1 506 50 50 ASP N N 117.4 0.10 1 507 51 51 GLU H H 7.78 0.01 1 508 51 51 GLU HA H 4.16 0.01 1 509 51 51 GLU HB2 H 2.22 0.01 2 510 51 51 GLU HB3 H 2.11 0.01 2 511 51 51 GLU HG2 H 2.40 0.01 1 512 51 51 GLU HG3 H 2.40 0.01 1 513 51 51 GLU CA C 59.2 0.20 1 514 51 51 GLU CB C 29.0 0.20 1 515 51 51 GLU CG C 35.5 0.20 1 516 51 51 GLU N N 119.2 0.10 1 517 52 52 LEU H H 8.40 0.01 1 518 52 52 LEU HA H 4.09 0.01 1 519 52 52 LEU HB2 H 2.06 0.01 2 520 52 52 LEU HB3 H 1.62 0.01 2 521 52 52 LEU HD1 H 0.88 0.01 2 522 52 52 LEU HD2 H 0.91 0.01 2 523 52 52 LEU HG H 2.11 0.01 1 524 52 52 LEU CA C 57.2 0.20 1 525 52 52 LEU CB C 42.9 0.20 1 526 52 52 LEU CD1 C 27.1 0.20 2 527 52 52 LEU CD2 C 22.9 0.20 2 528 52 52 LEU CG C 26.6 0.20 1 529 52 52 LEU N N 119.1 0.10 1 530 53 53 ALA H H 8.96 0.01 1 531 53 53 ALA HA H 4.00 0.01 1 532 53 53 ALA HB H 1.43 0.01 1 533 53 53 ALA CA C 54.3 0.20 1 534 53 53 ALA CB C 17.8 0.20 1 535 53 53 ALA N N 120.5 0.10 1 536 54 54 SER H H 7.30 0.01 1 537 54 54 SER HA H 4.25 0.01 1 538 54 54 SER HB2 H 3.92 0.01 1 539 54 54 SER HB3 H 3.92 0.01 1 540 54 54 SER CA C 60.0 0.20 1 541 54 54 SER CB C 63.3 0.20 1 542 54 54 SER N N 110.2 0.10 1 543 55 55 LEU H H 7.22 0.01 1 544 55 55 LEU HA H 4.06 0.01 1 545 55 55 LEU HB2 H 1.22 0.01 2 546 55 55 LEU HB3 H 0.69 0.01 2 547 55 55 LEU HD1 H 0.61 0.01 2 548 55 55 LEU HD2 H 0.50 0.01 2 549 55 55 LEU HG H 1.14 0.01 1 550 55 55 LEU CA C 56.1 0.20 1 551 55 55 LEU CB C 43.5 0.20 1 552 55 55 LEU CD1 C 24.4 0.20 2 553 55 55 LEU CD2 C 23.5 0.20 2 554 55 55 LEU CG C 26.2 0.20 1 555 55 55 LEU N N 121.7 0.10 1 556 56 56 PHE H H 8.08 0.01 1 557 56 56 PHE HA H 5.04 0.01 1 558 56 56 PHE HB2 H 3.12 0.01 2 559 56 56 PHE HB3 H 2.95 0.01 2 560 56 56 PHE HD1 H 7.29 0.01 1 561 56 56 PHE HD2 H 7.29 0.01 1 562 56 56 PHE HE1 H 7.15 0.01 1 563 56 56 PHE HE2 H 7.15 0.01 1 564 56 56 PHE HZ H 7.04 0.01 1 565 56 56 PHE CA C 55.5 0.20 1 566 56 56 PHE CB C 38.1 0.20 1 567 56 56 PHE CD1 C 132.2 0.20 1 568 56 56 PHE CD2 C 132.2 0.20 1 569 56 56 PHE CE1 C 130.7 0.20 1 570 56 56 PHE CE2 C 130.7 0.20 1 571 56 56 PHE CZ C 129.2 0.20 1 572 56 56 PHE N N 119.3 0.10 1 573 57 57 ASP H H 7.96 0.01 1 574 57 57 ASP HA H 4.57 0.01 1 575 57 57 ASP HB2 H 2.91 0.01 2 576 57 57 ASP HB3 H 2.65 0.01 2 577 57 57 ASP CA C 55.2 0.20 1 578 57 57 ASP CB C 40.6 0.20 1 579 57 57 ASP N N 118.4 0.10 1 580 58 58 SER H H 8.21 0.01 1 581 58 58 SER HA H 4.45 0.01 1 582 58 58 SER HB2 H 4.08 0.01 2 583 58 58 SER HB3 H 3.92 0.01 2 584 58 58 SER CA C 58.6 0.20 1 585 58 58 SER CB C 63.5 0.20 1 586 58 58 SER N N 112.7 0.10 1 587 59 59 VAL H H 7.48 0.01 1 588 59 59 VAL HA H 4.26 0.01 1 589 59 59 VAL HB H 2.01 0.01 1 590 59 59 VAL HG1 H 1.03 0.01 2 591 59 59 VAL HG2 H 0.85 0.01 2 592 59 59 VAL CA C 60.4 0.20 1 593 59 59 VAL CB C 33.3 0.20 1 594 59 59 VAL CG1 C 21.4 0.20 2 595 59 59 VAL CG2 C 21.2 0.20 2 596 59 59 VAL N N 121.4 0.10 1 597 60 60 SER H H 8.68 0.01 1 598 60 60 SER HA H 4.35 0.01 1 599 60 60 SER HB2 H 4.26 0.01 2 600 60 60 SER HB3 H 4.02 0.01 2 601 60 60 SER CA C 58.0 0.20 1 602 60 60 SER CB C 64.2 0.20 1 603 60 60 SER N N 120.7 0.10 1 604 61 61 ARG H H 9.07 0.01 1 605 61 61 ARG HA H 3.81 0.01 1 606 61 61 ARG HB2 H 1.88 0.01 2 607 61 61 ARG HB3 H 1.80 0.01 2 608 61 61 ARG HD2 H 3.19 0.01 1 609 61 61 ARG HD3 H 3.19 0.01 1 610 61 61 ARG HG2 H 1.59 0.01 1 611 61 61 ARG HG3 H 1.59 0.01 1 612 61 61 ARG CA C 60.2 0.20 1 613 61 61 ARG CB C 29.6 0.20 1 614 61 61 ARG CD C 42.8 0.20 1 615 61 61 ARG CG C 28.9 0.20 1 616 61 61 ARG N N 125.2 0.10 1 617 62 62 ASP H H 8.32 0.01 1 618 62 62 ASP HA H 4.34 0.01 1 619 62 62 ASP HB2 H 2.63 0.01 2 620 62 62 ASP HB3 H 2.56 0.01 2 621 62 62 ASP CA C 57.1 0.20 1 622 62 62 ASP CB C 40.2 0.20 1 623 62 62 ASP N N 116.9 0.10 1 624 63 63 THR H H 7.70 0.01 1 625 63 63 THR HA H 3.94 0.01 1 626 63 63 THR HB H 4.32 0.01 1 627 63 63 THR HG2 H 1.14 0.01 1 628 63 63 THR CA C 66.3 0.20 1 629 63 63 THR CB C 68.0 0.20 1 630 63 63 THR CG2 C 22.0 0.20 1 631 63 63 THR N N 119.5 0.10 1 632 64 64 LEU H H 8.00 0.01 1 633 64 64 LEU HA H 3.79 0.01 1 634 64 64 LEU HB2 H 2.08 0.01 2 635 64 64 LEU HB3 H 1.27 0.01 2 636 64 64 LEU HD1 H 0.91 0.01 2 637 64 64 LEU HD2 H 0.76 0.01 2 638 64 64 LEU HG H 1.81 0.01 1 639 64 64 LEU CA C 58.1 0.20 1 640 64 64 LEU CB C 42.0 0.20 1 641 64 64 LEU CD1 C 24.9 0.20 2 642 64 64 LEU CD2 C 21.7 0.20 2 643 64 64 LEU CG C 26.1 0.20 1 644 64 64 LEU N N 120.7 0.10 1 645 65 65 ALA H H 8.95 0.01 1 646 65 65 ALA HA H 3.88 0.01 1 647 65 65 ALA HB H 1.46 0.01 1 648 65 65 ALA CA C 55.4 0.20 1 649 65 65 ALA CB C 17.3 0.20 1 650 65 65 ALA N N 120.6 0.10 1 651 66 66 ASN H H 7.62 0.01 1 652 66 66 ASN HA H 4.42 0.01 1 653 66 66 ASN HB2 H 3.00 0.01 2 654 66 66 ASN HB3 H 2.89 0.01 2 655 66 66 ASN HD21 H 7.66 0.01 1 656 66 66 ASN HD22 H 6.96 0.01 1 657 66 66 ASN CA C 57.0 0.20 1 658 66 66 ASN CB C 39.3 0.20 1 659 66 66 ASN N N 116.8 0.10 1 660 66 66 ASN ND2 N 111.9 0.10 1 661 67 67 VAL H H 8.05 0.01 1 662 67 67 VAL HA H 3.33 0.01 1 663 67 67 VAL HB H 2.23 0.01 1 664 67 67 VAL HG1 H 0.73 0.01 2 665 67 67 VAL HG2 H 0.89 0.01 2 666 67 67 VAL CA C 67.2 0.20 1 667 67 67 VAL CB C 31.3 0.20 1 668 67 67 VAL CG1 C 21.2 0.20 2 669 67 67 VAL CG2 C 22.5 0.20 2 670 67 67 VAL N N 121.0 0.10 1 671 68 68 VAL H H 8.55 0.01 1 672 68 68 VAL HA H 3.39 0.01 1 673 68 68 VAL HB H 2.08 0.01 1 674 68 68 VAL HG1 H 0.97 0.01 2 675 68 68 VAL HG2 H 1.22 0.01 2 676 68 68 VAL CA C 67.5 0.20 1 677 68 68 VAL CB C 31.4 0.20 1 678 68 68 VAL CG1 C 24.9 0.20 2 679 68 68 VAL CG2 C 23.5 0.20 2 680 68 68 VAL N N 119.9 0.10 1 681 69 69 GLN H H 9.00 0.01 1 682 69 69 GLN HA H 3.98 0.01 1 683 69 69 GLN HB2 H 2.19 0.01 2 684 69 69 GLN HB3 H 2.05 0.01 2 685 69 69 GLN CA C 59.6 0.20 1 686 69 69 GLN CB C 28.3 0.20 1 687 69 69 GLN N N 119.1 0.10 1 688 70 70 THR H H 7.79 0.01 1 689 70 70 THR HA H 3.97 0.01 1 690 70 70 THR HB H 4.43 0.01 1 691 70 70 THR HG2 H 1.10 0.01 1 692 70 70 THR CA C 67.3 0.20 1 693 70 70 THR CB C 68.2 0.20 1 694 70 70 THR CG2 C 20.6 0.20 1 695 70 70 THR N N 115.3 0.10 1 696 71 71 ALA H H 8.06 0.01 1 697 71 71 ALA HA H 3.78 0.01 1 698 71 71 ALA HB H 1.28 0.01 1 699 71 71 ALA CA C 55.5 0.20 1 700 71 71 ALA CB C 18.5 0.20 1 701 71 71 ALA N N 124.4 0.10 1 702 72 72 PHE H H 8.31 0.01 1 703 72 72 PHE HA H 3.96 0.01 1 704 72 72 PHE HB2 H 3.02 0.01 2 705 72 72 PHE HB3 H 2.89 0.01 2 706 72 72 PHE HD1 H 7.41 0.01 1 707 72 72 PHE HD2 H 7.41 0.01 1 708 72 72 PHE HE1 H 7.06 0.01 1 709 72 72 PHE HE2 H 7.06 0.01 1 710 72 72 PHE HZ H 6.95 0.01 1 711 72 72 PHE CA C 63.3 0.20 1 712 72 72 PHE CB C 38.8 0.20 1 713 72 72 PHE CD1 C 131.7 0.20 1 714 72 72 PHE CD2 C 131.7 0.20 1 715 72 72 PHE CE1 C 131.0 0.20 1 716 72 72 PHE CE2 C 131.0 0.20 1 717 72 72 PHE CZ C 129.9 0.20 1 718 72 72 PHE N N 116.4 0.10 1 719 73 73 PHE H H 8.42 0.01 1 720 73 73 PHE HA H 4.53 0.01 1 721 73 73 PHE HB2 H 3.27 0.01 1 722 73 73 PHE HB3 H 3.27 0.01 1 723 73 73 PHE HD1 H 7.27 0.01 1 724 73 73 PHE HD2 H 7.27 0.01 1 725 73 73 PHE CA C 59.7 0.20 1 726 73 73 PHE CB C 37.9 0.20 1 727 73 73 PHE CD1 C 131.6 0.20 1 728 73 73 PHE CD2 C 131.6 0.20 1 729 73 73 PHE N N 120.1 0.10 1 730 74 74 ALA H H 8.65 0.01 1 731 74 74 ALA HA H 3.97 0.01 1 732 74 74 ALA HB H 1.42 0.01 1 733 74 74 ALA CA C 54.5 0.20 1 734 74 74 ALA CB C 18.8 0.20 1 735 74 74 ALA N N 122.7 0.10 1 736 75 75 LEU H H 8.06 0.01 1 737 75 75 LEU HA H 3.82 0.01 1 738 75 75 LEU HB2 H 1.91 0.01 2 739 75 75 LEU HB3 H 1.36 0.01 2 740 75 75 LEU HD1 H 0.71 0.01 2 741 75 75 LEU HD2 H 0.69 0.01 2 742 75 75 LEU HG H 1.40 0.01 1 743 75 75 LEU CA C 58.0 0.20 1 744 75 75 LEU CB C 41.0 0.20 1 745 75 75 LEU CD1 C 25.6 0.20 2 746 75 75 LEU CD2 C 22.5 0.20 2 747 75 75 LEU CG C 26.4 0.20 1 748 75 75 LEU N N 118.8 0.10 1 749 76 76 GLU H H 7.48 0.01 1 750 76 76 GLU HA H 3.94 0.01 1 751 76 76 GLU HB2 H 2.09 0.01 2 752 76 76 GLU HB3 H 2.06 0.01 2 753 76 76 GLU CA C 59.2 0.20 1 754 76 76 GLU CB C 29.1 0.20 1 755 76 76 GLU N N 117.9 0.10 1 756 77 77 ALA H H 7.71 0.01 1 757 77 77 ALA HA H 3.98 0.01 1 758 77 77 ALA HB H 1.22 0.01 1 759 77 77 ALA CA C 55.0 0.20 1 760 77 77 ALA CB C 17.5 0.20 1 761 77 77 ALA N N 121.4 0.10 1 762 78 78 LEU H H 8.66 0.01 1 763 78 78 LEU HA H 4.10 0.01 1 764 78 78 LEU HB2 H 1.66 0.01 2 765 78 78 LEU HB3 H 1.11 0.01 2 766 78 78 LEU HD1 H 0.78 0.01 2 767 78 78 LEU HD2 H 0.73 0.01 2 768 78 78 LEU HG H 0.78 0.01 1 769 78 78 LEU CA C 57.4 0.20 1 770 78 78 LEU CB C 41.3 0.20 1 771 78 78 LEU CD1 C 22.5 0.20 2 772 78 78 LEU CD2 C 26.6 0.20 2 773 78 78 LEU CG C 26.7 0.20 1 774 78 78 LEU N N 120.1 0.10 1 775 79 79 GLN H H 7.96 0.01 1 776 79 79 GLN HA H 3.92 0.01 1 777 79 79 GLN HB2 H 2.26 0.01 2 778 79 79 GLN HB3 H 1.96 0.01 2 779 79 79 GLN HE21 H 6.84 0.01 2 780 79 79 GLN HE22 H 6.71 0.01 2 781 79 79 GLN HG2 H 2.14 0.01 1 782 79 79 GLN HG3 H 2.14 0.01 1 783 79 79 GLN CA C 58.4 0.20 1 784 79 79 GLN CB C 28.3 0.20 1 785 79 79 GLN N N 118.9 0.10 1 786 79 79 GLN NE2 N 109.2 0.10 1 787 80 80 GLN H H 7.55 0.01 1 788 80 80 GLN HA H 4.31 0.01 1 789 80 80 GLN HB2 H 2.33 0.01 2 790 80 80 GLN HB3 H 2.13 0.01 2 791 80 80 GLN HG2 H 2.56 0.01 2 792 80 80 GLN HG3 H 2.49 0.01 2 793 80 80 GLN CA C 55.6 0.20 1 794 80 80 GLN CB C 28.4 0.20 1 795 80 80 GLN CG C 33.7 0.20 1 796 80 80 GLN N N 116.6 0.10 1 797 81 81 GLY H H 7.71 0.01 1 798 81 81 GLY HA2 H 4.34 0.01 2 799 81 81 GLY HA3 H 3.71 0.01 2 800 81 81 GLY CA C 45.1 0.20 1 801 81 81 GLY N N 106.4 0.10 1 802 82 82 GLU H H 7.92 0.01 1 803 82 82 GLU HA H 4.36 0.01 1 804 82 82 GLU HB2 H 1.76 0.01 2 805 82 82 GLU HB3 H 1.65 0.01 2 806 82 82 GLU CA C 56.0 0.20 1 807 82 82 GLU CB C 30.1 0.20 1 808 82 82 GLU N N 122.5 0.10 1 809 83 83 SER H H 9.00 0.01 1 810 83 83 SER HA H 4.51 0.01 1 811 83 83 SER HB2 H 4.21 0.01 2 812 83 83 SER HB3 H 3.97 0.01 2 813 83 83 SER CA C 56.7 0.20 1 814 83 83 SER CB C 64.6 0.20 1 815 83 83 SER N N 119.5 0.10 1 816 84 84 ALA H H 9.11 0.01 1 817 84 84 ALA HA H 3.85 0.01 1 818 84 84 ALA HB H 1.31 0.01 1 819 84 84 ALA CA C 55.5 0.20 1 820 84 84 ALA CB C 17.4 0.20 1 821 84 84 ALA N N 126.4 0.10 1 822 85 85 GLU H H 8.73 0.01 1 823 85 85 GLU HA H 3.89 0.01 1 824 85 85 GLU HB2 H 1.99 0.01 2 825 85 85 GLU HB3 H 1.89 0.01 2 826 85 85 GLU CA C 59.8 0.20 1 827 85 85 GLU CB C 28.9 0.20 1 828 85 85 GLU N N 115.6 0.10 1 829 86 86 ASN H H 7.66 0.01 1 830 86 86 ASN HA H 4.48 0.01 1 831 86 86 ASN HB2 H 2.98 0.01 2 832 86 86 ASN HB3 H 2.79 0.01 2 833 86 86 ASN HD21 H 8.06 0.01 1 834 86 86 ASN HD22 H 6.84 0.01 1 835 86 86 ASN CA C 55.3 0.20 1 836 86 86 ASN CB C 37.5 0.20 1 837 86 86 ASN N N 119.1 0.10 1 838 86 86 ASN ND2 N 112.6 0.10 1 839 87 87 ILE H H 7.69 0.01 1 840 87 87 ILE HA H 3.65 0.01 1 841 87 87 ILE HB H 1.82 0.01 1 842 87 87 ILE HD1 H 0.67 0.01 1 843 87 87 ILE HG2 H 0.90 0.01 1 844 87 87 ILE CA C 65.4 0.20 1 845 87 87 ILE CB C 38.0 0.20 1 846 87 87 ILE CD1 C 14.8 0.20 1 847 87 87 ILE CG1 C 28.3 0.20 1 848 87 87 ILE CG2 C 17.7 0.20 1 849 87 87 ILE N N 121.9 0.10 1 850 88 88 VAL H H 8.58 0.01 1 851 88 88 VAL HA H 3.39 0.01 1 852 88 88 VAL HB H 2.06 0.01 1 853 88 88 VAL HG1 H 0.94 0.01 2 854 88 88 VAL HG2 H 0.82 0.01 2 855 88 88 VAL CA C 67.5 0.20 1 856 88 88 VAL CB C 31.5 0.20 1 857 88 88 VAL CG1 C 24.4 0.20 2 858 88 88 VAL CG2 C 21.1 0.20 2 859 88 88 VAL N N 119.5 0.10 1 860 89 89 SER H H 7.94 0.01 1 861 89 89 SER HA H 4.09 0.01 1 862 89 89 SER HB2 H 4.02 0.01 2 863 89 89 SER HB3 H 3.96 0.01 2 864 89 89 SER CA C 61.9 0.20 1 865 89 89 SER CB C 62.6 0.20 1 866 89 89 SER N N 114.0 0.10 1 867 90 90 LYS H H 7.52 0.01 1 868 90 90 LYS HA H 4.08 0.01 1 869 90 90 LYS HB2 H 1.99 0.01 2 870 90 90 LYS HB3 H 1.96 0.01 2 871 90 90 LYS HE2 H 2.92 0.01 1 872 90 90 LYS HE3 H 2.92 0.01 1 873 90 90 LYS HG2 H 1.60 0.01 2 874 90 90 LYS HG3 H 1.45 0.01 2 875 90 90 LYS CA C 59.4 0.20 1 876 90 90 LYS CB C 32.1 0.20 1 877 90 90 LYS CD C 29.3 0.20 1 878 90 90 LYS CE C 41.8 0.20 1 879 90 90 LYS CG C 25.2 0.20 1 880 90 90 LYS N N 121.4 0.10 1 881 91 91 ILE H H 8.04 0.01 1 882 91 91 ILE HA H 3.67 0.01 1 883 91 91 ILE HB H 1.91 0.01 1 884 91 91 ILE HD1 H 0.75 0.01 1 885 91 91 ILE HG12 H 1.78 0.01 2 886 91 91 ILE HG13 H 1.14 0.01 2 887 91 91 ILE HG2 H 0.80 0.01 1 888 91 91 ILE CA C 64.9 0.20 1 889 91 91 ILE CB C 37.9 0.20 1 890 91 91 ILE CD1 C 14.8 0.20 1 891 91 91 ILE CG1 C 29.1 0.20 1 892 91 91 ILE CG2 C 16.7 0.20 1 893 91 91 ILE N N 120.6 0.10 1 894 92 92 ARG H H 8.56 0.01 1 895 92 92 ARG HA H 4.02 0.01 1 896 92 92 ARG HB2 H 1.90 0.01 2 897 92 92 ARG HB3 H 1.87 0.01 2 898 92 92 ARG HD2 H 3.14 0.01 2 899 92 92 ARG HD3 H 3.03 0.01 2 900 92 92 ARG HE H 7.41 0.01 1 901 92 92 ARG HG2 H 1.80 0.01 2 902 92 92 ARG HG3 H 1.64 0.01 2 903 92 92 ARG CA C 59.7 0.20 1 904 92 92 ARG CB C 30.3 0.20 1 905 92 92 ARG CD C 43.6 0.20 1 906 92 92 ARG CG C 27.6 0.20 1 907 92 92 ARG N N 120.0 0.10 1 908 93 93 MET H H 7.86 0.01 1 909 93 93 MET HA H 4.24 0.01 1 910 93 93 MET HB2 H 2.16 0.01 1 911 93 93 MET HB3 H 2.16 0.01 1 912 93 93 MET CA C 58.1 0.20 1 913 93 93 MET CB C 32.3 0.20 1 914 93 93 MET N N 118.3 0.10 1 915 94 94 MET H H 8.00 0.01 1 916 94 94 MET HA H 4.19 0.01 1 917 94 94 MET HB2 H 2.15 0.01 1 918 94 94 MET HB3 H 2.15 0.01 1 919 94 94 MET CA C 58.0 0.20 1 920 94 94 MET CB C 32.4 0.20 1 921 94 94 MET N N 119.6 0.10 1 922 95 95 ASN H H 8.49 0.01 1 923 95 95 ASN HA H 4.52 0.01 1 924 95 95 ASN HB2 H 2.96 0.01 2 925 95 95 ASN HB3 H 2.82 0.01 2 926 95 95 ASN HD21 H 7.96 0.01 1 927 95 95 ASN HD22 H 6.58 0.01 1 928 95 95 ASN CA C 54.4 0.20 1 929 95 95 ASN CB C 37.9 0.20 1 930 95 95 ASN N N 119.6 0.10 1 931 95 95 ASN ND2 N 110.9 0.10 1 932 96 96 ALA H H 7.78 0.01 1 933 96 96 ALA HA H 4.20 0.01 1 934 96 96 ALA HB H 1.46 0.01 1 935 96 96 ALA CA C 53.8 0.20 1 936 96 96 ALA CB C 18.4 0.20 1 937 96 96 ALA N N 122.1 0.10 1 938 97 97 GLN H H 7.92 0.01 1 939 97 97 GLN HA H 4.23 0.01 1 940 97 97 GLN HB2 H 2.15 0.01 2 941 97 97 GLN HB3 H 2.13 0.01 2 942 97 97 GLN HG2 H 2.50 0.01 2 943 97 97 GLN HG3 H 2.43 0.01 2 944 97 97 GLN CA C 56.9 0.20 1 945 97 97 GLN CB C 28.7 0.20 1 946 97 97 GLN CG C 33.9 0.20 1 947 97 97 GLN N N 117.3 0.10 1 948 98 98 SER H H 8.04 0.01 1 949 98 98 SER HA H 4.35 0.01 1 950 98 98 SER HB2 H 3.92 0.01 1 951 98 98 SER HB3 H 3.92 0.01 1 952 98 98 SER CA C 59.3 0.20 1 953 98 98 SER CB C 63.4 0.20 1 954 98 98 SER N N 115.2 0.10 1 955 99 99 LEU H H 7.96 0.01 1 956 99 99 LEU HA H 4.35 0.01 1 957 99 99 LEU HB2 H 1.72 0.01 2 958 99 99 LEU HB3 H 1.62 0.01 2 959 99 99 LEU HD1 H 0.78 0.01 2 960 99 99 LEU HD2 H 0.76 0.01 2 961 99 99 LEU HG H 2.11 0.01 1 962 99 99 LEU CA C 55.4 0.20 1 963 99 99 LEU CB C 42.2 0.20 1 964 99 99 LEU CD1 C 26.6 0.20 2 965 99 99 LEU CD2 C 26.8 0.20 2 966 99 99 LEU CG C 26.5 0.20 1 967 99 99 LEU N N 122.4 0.10 1 968 100 100 GLY H H 8.15 0.01 1 969 100 100 GLY HA2 H 3.93 0.01 1 970 100 100 GLY HA3 H 3.93 0.01 1 971 100 100 GLY CA C 45.3 0.20 1 972 100 100 GLY N N 108.5 0.10 1 973 101 101 GLN H H 8.07 0.01 1 974 101 101 GLN HA H 4.38 0.01 1 975 101 101 GLN HB2 H 2.13 0.01 2 976 101 101 GLN HB3 H 1.99 0.01 2 977 101 101 GLN CA C 55.7 0.20 1 978 101 101 GLN CB C 29.4 0.20 1 979 101 101 GLN N N 119.3 0.10 1 980 102 102 SER H H 8.29 0.01 1 981 102 102 SER HA H 4.46 0.01 1 982 102 102 SER HB2 H 3.85 0.01 1 983 102 102 SER HB3 H 3.85 0.01 1 984 102 102 SER CA C 58.4 0.20 1 985 102 102 SER CB C 63.9 0.20 1 986 102 102 SER N N 116.5 0.10 1 987 103 103 ASP H H 8.34 0.01 1 988 103 103 ASP HA H 4.61 0.01 1 989 103 103 ASP HB2 H 2.69 0.01 2 990 103 103 ASP HB3 H 2.60 0.01 2 991 103 103 ASP CA C 54.3 0.20 1 992 103 103 ASP CB C 40.9 0.20 1 993 103 103 ASP N N 122.1 0.10 1 994 104 104 ILE H H 7.91 0.01 1 995 104 104 ILE HA H 4.16 0.01 1 996 104 104 ILE HB H 1.87 0.01 1 997 104 104 ILE HD1 H 0.84 0.01 1 998 104 104 ILE HG12 H 1.43 0.01 2 999 104 104 ILE HG13 H 1.14 0.01 2 1000 104 104 ILE HG2 H 0.90 0.01 1 1001 104 104 ILE CA C 60.9 0.20 1 1002 104 104 ILE CB C 38.7 0.20 1 1003 104 104 ILE CD1 C 12.8 0.20 1 1004 104 104 ILE CG1 C 26.8 0.20 1 1005 104 104 ILE CG2 C 17.4 0.20 1 1006 104 104 ILE N N 119.9 0.10 1 1007 105 105 ALA H H 7.83 0.01 1 1008 105 105 ALA HA H 4.11 0.01 1 1009 105 105 ALA HB H 1.31 0.01 1 1010 105 105 ALA CA C 53.7 0.20 1 1011 105 105 ALA CB C 20.0 0.20 1 1012 105 105 ALA N N 133.4 0.10 1 stop_ save_