data_15864 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of 1-112 fragment of human programmed cell death 5 protein ; _BMRB_accession_number 15864 _BMRB_flat_file_name bmr15864.str _Entry_type original _Submission_date 2008-07-07 _Accession_date 2008-07-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Feng Yingang . . 2 Yao Hongwei . . 3 Liu Dongsheng . . 4 Wang Jinfeng . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 639 "13C chemical shifts" 477 "15N chemical shifts" 114 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2009-06-10 update BMRB 'complete entry citation' 2009-05-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure-function correlation of human programmed cell death 5 protein' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19358820 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yao Hongwei . . 2 Xu Lanjun . . 3 Feng Yingang . . 4 Liu Dongsheng . . 5 Chen Yingyu . . 6 Wang Jinfeng . . stop_ _Journal_abbreviation 'Arch. Biochem. Biophys.' _Journal_name_full 'Archives of Biochemistry and Biophysics' _Journal_volume 486 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 141 _Page_last 149 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name pdcd5 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label pdcd5 $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common pdcd5 _Molecular_mass 12692.453 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; GSADEELEALRRQRLAELQA KHGDPGDAAQQEAKHREAEM RNSILAQVLDQSARARLSNL ALVKPEKTKAVENYLIQMAR YGQLSEKVSEQGLIEILKKV SQQTEKTTTVKFN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 GLY 2 1 SER 3 2 ALA 4 3 ASP 5 4 GLU 6 5 GLU 7 6 LEU 8 7 GLU 9 8 ALA 10 9 LEU 11 10 ARG 12 11 ARG 13 12 GLN 14 13 ARG 15 14 LEU 16 15 ALA 17 16 GLU 18 17 LEU 19 18 GLN 20 19 ALA 21 20 LYS 22 21 HIS 23 22 GLY 24 23 ASP 25 24 PRO 26 25 GLY 27 26 ASP 28 27 ALA 29 28 ALA 30 29 GLN 31 30 GLN 32 31 GLU 33 32 ALA 34 33 LYS 35 34 HIS 36 35 ARG 37 36 GLU 38 37 ALA 39 38 GLU 40 39 MET 41 40 ARG 42 41 ASN 43 42 SER 44 43 ILE 45 44 LEU 46 45 ALA 47 46 GLN 48 47 VAL 49 48 LEU 50 49 ASP 51 50 GLN 52 51 SER 53 52 ALA 54 53 ARG 55 54 ALA 56 55 ARG 57 56 LEU 58 57 SER 59 58 ASN 60 59 LEU 61 60 ALA 62 61 LEU 63 62 VAL 64 63 LYS 65 64 PRO 66 65 GLU 67 66 LYS 68 67 THR 69 68 LYS 70 69 ALA 71 70 VAL 72 71 GLU 73 72 ASN 74 73 TYR 75 74 LEU 76 75 ILE 77 76 GLN 78 77 MET 79 78 ALA 80 79 ARG 81 80 TYR 82 81 GLY 83 82 GLN 84 83 LEU 85 84 SER 86 85 GLU 87 86 LYS 88 87 VAL 89 88 SER 90 89 GLU 91 90 GLN 92 91 GLY 93 92 LEU 94 93 ILE 95 94 GLU 96 95 ILE 97 96 LEU 98 97 LYS 99 98 LYS 100 99 VAL 101 100 SER 102 101 GLN 103 102 GLN 104 103 THR 105 104 GLU 106 105 LYS 107 106 THR 108 107 THR 109 108 THR 110 109 VAL 111 110 LYS 112 111 PHE 113 112 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2CRU "Solution Structure Of Programmed Cell Death 5" 92.92 118 99.05 99.05 4.04e-67 PDB 2K6B "Solution Structure Of 1-112 Fragment Of Human Programmed Cell Death 5 Protein" 100.00 113 100.00 100.00 2.00e-73 DBJ BAJ20402 "programmed cell death 5 [synthetic construct]" 98.23 125 100.00 100.00 1.08e-71 EMBL CAG33215 "PDCD5 [Homo sapiens]" 98.23 125 99.10 100.00 5.19e-71 EMBL CAH90780 "hypothetical protein [Pongo abelii]" 98.23 125 100.00 100.00 1.08e-71 GB AAD11579 "TFAR19 [Homo sapiens]" 98.23 125 100.00 100.00 1.08e-71 GB AAH15519 "Programmed cell death 5 [Homo sapiens]" 98.23 125 100.00 100.00 1.08e-71 GB AAP35340 "programmed cell death 5 [Homo sapiens]" 98.23 125 100.00 100.00 1.08e-71 GB AAP36696 "Homo sapiens programmed cell death 5 [synthetic construct]" 98.23 126 100.00 100.00 1.42e-71 GB AAX36432 "programmed cell death 5 [synthetic construct]" 98.23 125 100.00 100.00 1.08e-71 REF NP_001125439 "programmed cell death protein 5 [Pongo abelii]" 98.23 125 100.00 100.00 1.08e-71 REF NP_001252621 "programmed cell death protein 5 [Macaca mulatta]" 98.23 125 100.00 100.00 1.08e-71 REF NP_004699 "programmed cell death protein 5 [Homo sapiens]" 98.23 125 100.00 100.00 1.08e-71 REF XP_002762025 "PREDICTED: programmed cell death protein 5 isoform X1 [Callithrix jacchus]" 98.23 125 98.20 100.00 1.70e-70 REF XP_003275098 "PREDICTED: programmed cell death protein 5 [Nomascus leucogenys]" 98.23 125 100.00 100.00 1.08e-71 SP O14737 "RecName: Full=Programmed cell death protein 5; AltName: Full=TF-1 cell apoptosis-related protein 19; Short=Protein TFAR19" 98.23 125 100.00 100.00 1.08e-71 SP Q5RBT0 "RecName: Full=Programmed cell death protein 5" 98.23 125 100.00 100.00 1.08e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pET-3d-HR52 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 $entity 1.0-2.0 mM '[U-13C; U-15N]' 'acetic acid' 100 mM [U-2H] 'sodium chloride' 100 mM 'natural abundance' DSS 0.01 % 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.0-2.0 mM [U-13C] 'acetic acid' 100 mM [U-2H] 'sodium chloride' 100 mM 'natural abundance' DSS 0.01 % 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details 'with a Cryo-Probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 4.7 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D HNCO' '3D H(CCO)NH' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '3D HN(CA)CO' '3D HCCH-COSY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name pdcd5 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 2 SER H H 8.78 0.02 1 2 1 2 SER HA H 4.48 0.02 1 3 1 2 SER HB2 H 3.93 0.02 2 4 1 2 SER HB3 H 4 0.02 2 5 1 2 SER C C 175 0.3 1 6 1 2 SER CA C 59.1 0.3 1 7 1 2 SER CB C 63.9 0.3 1 8 1 2 SER N N 116.6 0.2 1 9 2 3 ALA H H 8.71 0.02 1 10 2 3 ALA HA H 4.31 0.02 1 11 2 3 ALA HB H 1.44 0.02 1 12 2 3 ALA C C 178.8 0.3 1 13 2 3 ALA CA C 53.8 0.3 1 14 2 3 ALA CB C 18.5 0.3 1 15 2 3 ALA N N 125.5 0.2 1 16 3 4 ASP H H 8.19 0.02 1 17 3 4 ASP HA H 4.5 0.02 1 18 3 4 ASP HB2 H 2.75 0.02 2 19 3 4 ASP HB3 H 2.68 0.02 2 20 3 4 ASP C C 177.7 0.3 1 21 3 4 ASP CA C 55.9 0.3 1 22 3 4 ASP CB C 40.5 0.3 1 23 3 4 ASP N N 117.8 0.2 1 24 4 5 GLU H H 8.15 0.02 1 25 4 5 GLU HA H 4.14 0.02 1 26 4 5 GLU HB2 H 2.11 0.02 1 27 4 5 GLU HB3 H 2.11 0.02 1 28 4 5 GLU HG2 H 2.4 0.02 1 29 4 5 GLU HG3 H 2.4 0.02 1 30 4 5 GLU C C 178.6 0.3 1 31 4 5 GLU CA C 58.6 0.3 1 32 4 5 GLU CB C 29.1 0.3 1 33 4 5 GLU CG C 35.4 0.3 1 34 4 5 GLU N N 120.8 0.2 1 35 5 6 GLU H H 8.25 0.02 1 36 5 6 GLU HA H 4.2 0.02 1 37 5 6 GLU HB2 H 2.12 0.02 1 38 5 6 GLU HB3 H 2.12 0.02 1 39 5 6 GLU HG2 H 2.4 0.02 1 40 5 6 GLU HG3 H 2.4 0.02 1 41 5 6 GLU C C 178.3 0.3 1 42 5 6 GLU CA C 58.6 0.3 1 43 5 6 GLU CB C 28.8 0.3 1 44 5 6 GLU CG C 35.2 0.3 1 45 5 6 GLU N N 120.8 0.2 1 46 6 7 LEU H H 7.99 0.02 1 47 6 7 LEU HA H 4.17 0.02 1 48 6 7 LEU HB2 H 1.82 0.02 2 49 6 7 LEU HB3 H 1.66 0.02 2 50 6 7 LEU HD1 H 0.89 0.02 2 51 6 7 LEU HD2 H 0.92 0.02 2 52 6 7 LEU C C 179.5 0.3 1 53 6 7 LEU CA C 57.5 0.3 1 54 6 7 LEU CB C 41.6 0.3 1 55 6 7 LEU CD1 C 23.5 0.3 2 56 6 7 LEU CD2 C 24.6 0.3 2 57 6 7 LEU CG C 26.9 0.3 1 58 6 7 LEU N N 120.9 0.2 1 59 7 8 GLU H H 8.13 0.02 1 60 7 8 GLU HA H 4.16 0.02 1 61 7 8 GLU HB2 H 2.11 0.02 1 62 7 8 GLU HB3 H 2.11 0.02 1 63 7 8 GLU HG2 H 2.38 0.02 1 64 7 8 GLU HG3 H 2.38 0.02 1 65 7 8 GLU C C 178.3 0.3 1 66 7 8 GLU CA C 58.8 0.3 1 67 7 8 GLU CB C 28.8 0.3 1 68 7 8 GLU CG C 35.3 0.3 1 69 7 8 GLU N N 120.1 0.2 1 70 8 9 ALA H H 8.03 0.02 1 71 8 9 ALA HA H 4.09 0.02 1 72 8 9 ALA HB H 1.49 0.02 1 73 8 9 ALA C C 180.5 0.3 1 74 8 9 ALA CA C 55.1 0.3 1 75 8 9 ALA CB C 17.9 0.3 1 76 8 9 ALA N N 122.1 0.2 1 77 9 10 LEU H H 7.89 0.02 1 78 9 10 LEU HA H 4.16 0.02 1 79 9 10 LEU HB2 H 1.84 0.02 2 80 9 10 LEU HB3 H 1.69 0.02 2 81 9 10 LEU HD1 H 0.88 0.02 2 82 9 10 LEU HD2 H 0.92 0.02 2 83 9 10 LEU C C 179.2 0.3 1 84 9 10 LEU CA C 57.5 0.3 1 85 9 10 LEU CB C 41.8 0.3 1 86 9 10 LEU CD1 C 23.5 0.3 2 87 9 10 LEU CD2 C 24.6 0.3 2 88 9 10 LEU CG C 26.9 0.3 1 89 9 10 LEU N N 119.5 0.2 1 90 10 11 ARG H H 8.08 0.02 1 91 10 11 ARG HA H 4.01 0.02 1 92 10 11 ARG HB2 H 1.77 0.02 2 93 10 11 ARG HB3 H 1.96 0.02 2 94 10 11 ARG HD2 H 3.23 0.02 1 95 10 11 ARG HD3 H 3.23 0.02 1 96 10 11 ARG HG2 H 1.57 0.02 1 97 10 11 ARG HG3 H 1.57 0.02 1 98 10 11 ARG C C 178.9 0.3 1 99 10 11 ARG CA C 59.4 0.3 1 100 10 11 ARG CB C 30.1 0.3 1 101 10 11 ARG CD C 43.2 0.3 1 102 10 11 ARG CG C 27.4 0.3 1 103 10 11 ARG N N 120.4 0.2 1 104 11 12 ARG H H 8.17 0.02 1 105 11 12 ARG HA H 4.04 0.02 1 106 11 12 ARG HB2 H 1.62 0.02 2 107 11 12 ARG HB3 H 1.95 0.02 2 108 11 12 ARG HD2 H 3.25 0.02 2 109 11 12 ARG HD3 H 3.2 0.02 2 110 11 12 ARG HG2 H 1.44 0.02 1 111 11 12 ARG HG3 H 1.44 0.02 1 112 11 12 ARG C C 178.9 0.3 1 113 11 12 ARG CA C 59.3 0.3 1 114 11 12 ARG CB C 30 0.3 1 115 11 12 ARG CD C 43.2 0.3 1 116 11 12 ARG CG C 27.4 0.3 1 117 11 12 ARG N N 118.4 0.2 1 118 12 13 GLN H H 8.06 0.02 1 119 12 13 GLN HA H 4.15 0.02 1 120 12 13 GLN HB2 H 2.21 0.02 1 121 12 13 GLN HB3 H 2.21 0.02 1 122 12 13 GLN HG2 H 2.49 0.02 2 123 12 13 GLN HG3 H 2.38 0.02 2 124 12 13 GLN C C 177.9 0.3 1 125 12 13 GLN CA C 58.6 0.3 1 126 12 13 GLN CB C 28.5 0.3 1 127 12 13 GLN CG C 33.6 0.3 1 128 12 13 GLN N N 120.4 0.2 1 129 13 14 ARG H H 8.18 0.02 1 130 13 14 ARG HA H 4.16 0.02 1 131 13 14 ARG HB2 H 1.95 0.02 1 132 13 14 ARG HB3 H 1.95 0.02 1 133 13 14 ARG HD2 H 3.24 0.02 1 134 13 14 ARG HD3 H 3.24 0.02 1 135 13 14 ARG HG2 H 1.71 0.02 1 136 13 14 ARG HG3 H 1.71 0.02 1 137 13 14 ARG C C 178.6 0.3 1 138 13 14 ARG CA C 58.6 0.3 1 139 13 14 ARG CB C 29.9 0.3 1 140 13 14 ARG CD C 43.2 0.3 1 141 13 14 ARG CG C 27.4 0.3 1 142 13 14 ARG N N 119.9 0.2 1 143 14 15 LEU H H 7.98 0.02 1 144 14 15 LEU HA H 4.18 0.02 1 145 14 15 LEU HB2 H 1.78 0.02 2 146 14 15 LEU HB3 H 1.65 0.02 2 147 14 15 LEU HD1 H 0.92 0.02 2 148 14 15 LEU HD2 H 0.89 0.02 2 149 14 15 LEU C C 178.8 0.3 1 150 14 15 LEU CA C 57.3 0.3 1 151 14 15 LEU CB C 41.7 0.3 1 152 14 15 LEU CD1 C 23.6 0.3 2 153 14 15 LEU CD2 C 24.6 0.3 2 154 14 15 LEU CG C 26.9 0.3 1 155 14 15 LEU N N 119.9 0.2 1 156 15 16 ALA H H 7.93 0.02 1 157 15 16 ALA HA H 4.19 0.02 1 158 15 16 ALA HB H 1.49 0.02 1 159 15 16 ALA C C 180.1 0.3 1 160 15 16 ALA CA C 54.5 0.3 1 161 15 16 ALA CB C 18 0.3 1 162 15 16 ALA N N 122 0.2 1 163 16 17 GLU H H 8.01 0.02 1 164 16 17 GLU HA H 4.16 0.02 1 165 16 17 GLU HB2 H 2.15 0.02 1 166 16 17 GLU HB3 H 2.15 0.02 1 167 16 17 GLU HG2 H 2.36 0.02 2 168 16 17 GLU HG3 H 2.52 0.02 2 169 16 17 GLU C C 178.1 0.3 1 170 16 17 GLU CA C 58.1 0.3 1 171 16 17 GLU CB C 28.9 0.3 1 172 16 17 GLU CG C 35.3 0.3 1 173 16 17 GLU N N 118.5 0.2 1 174 17 18 LEU H H 7.89 0.02 1 175 17 18 LEU HA H 4.2 0.02 1 176 17 18 LEU HB2 H 1.83 0.02 2 177 17 18 LEU HB3 H 1.66 0.02 2 178 17 18 LEU HD1 H 0.92 0.02 2 179 17 18 LEU HD2 H 0.89 0.02 2 180 17 18 LEU HG H 1.39 0.02 1 181 17 18 LEU C C 178.7 0.3 1 182 17 18 LEU CA C 56.9 0.3 1 183 17 18 LEU CB C 42.1 0.3 1 184 17 18 LEU CD1 C 24.7 0.3 2 185 17 18 LEU CD2 C 23.5 0.3 2 186 17 18 LEU CG C 26.9 0.3 1 187 17 18 LEU N N 120.4 0.2 1 188 18 19 GLN H H 8.02 0.02 1 189 18 19 GLN HA H 4.2 0.02 1 190 18 19 GLN HB2 H 2.12 0.02 1 191 18 19 GLN HB3 H 2.12 0.02 1 192 18 19 GLN HG2 H 2.47 0.02 2 193 18 19 GLN HG3 H 2.4 0.02 2 194 18 19 GLN C C 176.7 0.3 1 195 18 19 GLN CA C 56.9 0.3 1 196 18 19 GLN CB C 28.8 0.3 1 197 18 19 GLN CG C 33.8 0.3 1 198 18 19 GLN N N 118.5 0.2 1 199 19 20 ALA H H 7.85 0.02 1 200 19 20 ALA HA H 4.24 0.02 1 201 19 20 ALA HB H 1.42 0.02 1 202 19 20 ALA C C 178 0.3 1 203 19 20 ALA CA C 53.1 0.3 1 204 19 20 ALA CB C 18.7 0.3 1 205 19 20 ALA N N 122.7 0.2 1 206 20 21 LYS H H 7.95 0.02 1 207 20 21 LYS HA H 4.26 0.02 1 208 20 21 LYS HB2 H 1.8 0.02 2 209 20 21 LYS HB3 H 1.7 0.02 2 210 20 21 LYS HE2 H 2.99 0.02 1 211 20 21 LYS HE3 H 2.99 0.02 1 212 20 21 LYS HG2 H 1.49 0.02 2 213 20 21 LYS HG3 H 1.42 0.02 2 214 20 21 LYS C C 176.6 0.3 1 215 20 21 LYS CA C 56.5 0.3 1 216 20 21 LYS CB C 32.6 0.3 1 217 20 21 LYS CD C 28.8 0.3 1 218 20 21 LYS CE C 41.8 0.3 1 219 20 21 LYS CG C 24.7 0.3 1 220 20 21 LYS N N 118.8 0.2 1 221 21 22 HIS H H 8.32 0.02 1 222 21 22 HIS HA H 4.73 0.02 1 223 21 22 HIS HB2 H 3.34 0.02 2 224 21 22 HIS HB3 H 3.22 0.02 2 225 21 22 HIS C C 174.8 0.3 1 226 21 22 HIS CA C 55.4 0.3 1 227 21 22 HIS CB C 28.8 0.3 1 228 21 22 HIS N N 118.6 0.2 1 229 22 23 GLY H H 8.36 0.02 1 230 22 23 GLY HA2 H 3.96 0.02 1 231 22 23 GLY HA3 H 3.96 0.02 1 232 22 23 GLY C C 173.2 0.3 1 233 22 23 GLY CA C 45 0.3 1 234 22 23 GLY N N 109.6 0.2 1 235 23 24 ASP H H 8.32 0.02 1 236 23 24 ASP HA H 4.94 0.02 1 237 23 24 ASP HB2 H 2.77 0.02 2 238 23 24 ASP HB3 H 2.6 0.02 2 239 23 24 ASP C C 174.9 0.3 1 240 23 24 ASP CA C 52.2 0.3 1 241 23 24 ASP CB C 41.3 0.3 1 242 23 24 ASP N N 121.6 0.2 1 243 24 25 PRO HA H 4.43 0.02 1 244 24 25 PRO HB2 H 2.3 0.02 2 245 24 25 PRO HB3 H 2 0.02 2 246 24 25 PRO HD2 H 3.89 0.02 2 247 24 25 PRO HD3 H 3.82 0.02 2 248 24 25 PRO HG2 H 2.05 0.02 1 249 24 25 PRO HG3 H 2.04 0.02 1 250 24 25 PRO C C 177.8 0.3 1 251 24 25 PRO CA C 64.1 0.3 1 252 24 25 PRO CB C 31.9 0.3 1 253 24 25 PRO CD C 50.8 0.3 1 254 24 25 PRO CG C 27.2 0.3 1 255 25 26 GLY H H 8.52 0.02 1 256 25 26 GLY HA2 H 3.94 0.02 1 257 25 26 GLY HA3 H 3.94 0.02 1 258 25 26 GLY C C 174.4 0.3 1 259 25 26 GLY CA C 45.5 0.3 1 260 25 26 GLY N N 108.3 0.2 1 261 26 27 ASP H H 8.1 0.02 1 262 26 27 ASP HA H 4.61 0.02 1 263 26 27 ASP HB2 H 2.77 0.02 1 264 26 27 ASP HB3 H 2.77 0.02 1 265 26 27 ASP C C 176.9 0.3 1 266 26 27 ASP CA C 54.8 0.3 1 267 26 27 ASP CB C 40.8 0.3 1 268 26 27 ASP N N 120.7 0.2 1 269 27 28 ALA H H 8.32 0.02 1 270 27 28 ALA HA H 4.18 0.02 1 271 27 28 ALA HB H 1.44 0.02 1 272 27 28 ALA C C 179.3 0.3 1 273 27 28 ALA CA C 54.6 0.3 1 274 27 28 ALA CB C 18.4 0.3 1 275 27 28 ALA N N 124.1 0.2 1 276 28 29 ALA H H 8.25 0.02 1 277 28 29 ALA HA H 4.23 0.02 1 278 28 29 ALA HB H 1.47 0.02 1 279 28 29 ALA C C 180 0.3 1 280 28 29 ALA CA C 54.3 0.3 1 281 28 29 ALA CB C 18.2 0.3 1 282 28 29 ALA N N 121.2 0.2 1 283 29 30 GLN H H 8.12 0.02 1 284 29 30 GLN HA H 4.23 0.02 1 285 29 30 GLN HB2 H 2.16 0.02 1 286 29 30 GLN HB3 H 2.16 0.02 1 287 29 30 GLN HG2 H 2.43 0.02 1 288 29 30 GLN HG3 H 2.43 0.02 1 289 29 30 GLN C C 177.9 0.3 1 290 29 30 GLN CA C 57.8 0.3 1 291 29 30 GLN CB C 28.6 0.3 1 292 29 30 GLN CG C 33.7 0.3 1 293 29 30 GLN N N 118.8 0.2 1 294 30 31 GLN H H 8.24 0.02 1 295 30 31 GLN HA H 4.12 0.02 1 296 30 31 GLN HB2 H 2.11 0.02 1 297 30 31 GLN HB3 H 2.11 0.02 1 298 30 31 GLN HG2 H 2.43 0.02 1 299 30 31 GLN HG3 H 2.43 0.02 1 300 30 31 GLN C C 178.1 0.3 1 301 30 31 GLN CA C 58 0.3 1 302 30 31 GLN CB C 28.5 0.3 1 303 30 31 GLN CG C 33.7 0.3 1 304 30 31 GLN N N 119.6 0.2 1 305 31 32 GLU H H 8.3 0.02 1 306 31 32 GLU HA H 4.19 0.02 1 307 31 32 GLU HB2 H 2.11 0.02 1 308 31 32 GLU HB3 H 2.11 0.02 1 309 31 32 GLU HG2 H 2.38 0.02 1 310 31 32 GLU HG3 H 2.38 0.02 1 311 31 32 GLU C C 178.1 0.3 1 312 31 32 GLU CA C 58.6 0.3 1 313 31 32 GLU CB C 28.8 0.3 1 314 31 32 GLU CG C 35.2 0.3 1 315 31 32 GLU N N 120.8 0.2 1 316 32 33 ALA H H 8.07 0.02 1 317 32 33 ALA HA H 4.16 0.02 1 318 32 33 ALA HB H 1.5 0.02 1 319 32 33 ALA C C 179.9 0.3 1 320 32 33 ALA CA C 54.9 0.3 1 321 32 33 ALA CB C 18.2 0.3 1 322 32 33 ALA N N 123 0.2 1 323 33 34 LYS H H 8.05 0.02 1 324 33 34 LYS HA H 4.15 0.02 1 325 33 34 LYS HB2 H 1.9 0.02 1 326 33 34 LYS HB3 H 1.9 0.02 1 327 33 34 LYS HD2 H 1.67 0.02 1 328 33 34 LYS HD3 H 1.67 0.02 1 329 33 34 LYS HE2 H 2.97 0.02 1 330 33 34 LYS HE3 H 2.97 0.02 1 331 33 34 LYS HG2 H 1.46 0.02 2 332 33 34 LYS HG3 H 1.57 0.02 2 333 33 34 LYS C C 178.9 0.3 1 334 33 34 LYS CA C 58.6 0.3 1 335 33 34 LYS CB C 32.3 0.3 1 336 33 34 LYS CD C 28.8 0.3 1 337 33 34 LYS CE C 41.8 0.3 1 338 33 34 LYS CG C 24.9 0.3 1 339 33 34 LYS N N 118.6 0.2 1 340 34 35 HIS H H 8.24 0.02 1 341 34 35 HIS HA H 4.58 0.02 1 342 34 35 HIS HB2 H 3.41 0.02 2 343 34 35 HIS HB3 H 3.36 0.02 2 344 34 35 HIS C C 176.3 0.3 1 345 34 35 HIS CA C 57.8 0.3 1 346 34 35 HIS CB C 28.3 0.3 1 347 34 35 HIS N N 119.1 0.2 1 348 35 36 ARG H H 8.39 0.02 1 349 35 36 ARG HA H 4.16 0.02 1 350 35 36 ARG HB2 H 1.96 0.02 1 351 35 36 ARG HB3 H 1.96 0.02 1 352 35 36 ARG HD2 H 3.25 0.02 1 353 35 36 ARG HD3 H 3.25 0.02 1 354 35 36 ARG HG2 H 1.83 0.02 1 355 35 36 ARG HG3 H 1.83 0.02 1 356 35 36 ARG C C 178.5 0.3 1 357 35 36 ARG CA C 58.8 0.3 1 358 35 36 ARG CB C 29.2 0.3 1 359 35 36 ARG CD C 43.5 0.3 1 360 35 36 ARG CG C 35.5 0.3 1 361 35 36 ARG N N 120.6 0.2 1 362 36 37 GLU H H 8.24 0.02 1 363 36 37 GLU HA H 4.08 0.02 1 364 36 37 GLU HB2 H 2.12 0.02 1 365 36 37 GLU HB3 H 2.12 0.02 1 366 36 37 GLU HG2 H 2.4 0.02 2 367 36 37 GLU HG3 H 2.31 0.02 2 368 36 37 GLU C C 178.2 0.3 1 369 36 37 GLU CA C 59.1 0.3 1 370 36 37 GLU CB C 29.1 0.3 1 371 36 37 GLU CG C 35.5 0.3 1 372 36 37 GLU N N 120.4 0.2 1 373 37 38 ALA H H 7.98 0.02 1 374 37 38 ALA HA H 4.1 0.02 1 375 37 38 ALA HB H 1.51 0.02 1 376 37 38 ALA C C 179.8 0.3 1 377 37 38 ALA CA C 55.1 0.3 1 378 37 38 ALA CB C 18 0.3 1 379 37 38 ALA N N 122 0.2 1 380 38 39 GLU H H 8.05 0.02 1 381 38 39 GLU HA H 4.12 0.02 1 382 38 39 GLU HB2 H 2.08 0.02 1 383 38 39 GLU HB3 H 2.08 0.02 1 384 38 39 GLU HG2 H 2.28 0.02 1 385 38 39 GLU HG3 H 2.27 0.02 1 386 38 39 GLU C C 179 0.3 1 387 38 39 GLU CA C 58.8 0.3 1 388 38 39 GLU CB C 29.1 0.3 1 389 38 39 GLU CG C 35.5 0.3 1 390 38 39 GLU N N 118.2 0.2 1 391 39 40 MET H H 8.13 0.02 1 392 39 40 MET HA H 4.2 0.02 1 393 39 40 MET HB2 H 2.08 0.02 1 394 39 40 MET HB3 H 2.08 0.02 1 395 39 40 MET HG2 H 2.39 0.02 1 396 39 40 MET HG3 H 2.39 0.02 1 397 39 40 MET C C 178.2 0.3 1 398 39 40 MET CA C 58.1 0.3 1 399 39 40 MET CB C 32.3 0.3 1 400 39 40 MET CG C 29.8 0.3 1 401 39 40 MET N N 120.3 0.2 1 402 40 41 ARG HA H 3.89 0.02 1 403 40 41 ARG HB2 H 1.85 0.02 1 404 40 41 ARG HB3 H 1.85 0.02 1 405 40 41 ARG HD2 H 3.21 0.02 1 406 40 41 ARG HD3 H 3.21 0.02 1 407 40 41 ARG HG2 H 1.47 0.02 1 408 40 41 ARG HG3 H 1.47 0.02 1 409 40 41 ARG C C 177.7 0.3 1 410 40 41 ARG CA C 59.5 0.3 1 411 40 41 ARG CB C 30.3 0.3 1 412 41 42 ASN H H 8.19 0.02 1 413 41 42 ASN HA H 4.44 0.02 1 414 41 42 ASN HB2 H 2.95 0.02 2 415 41 42 ASN HB3 H 2.86 0.02 2 416 41 42 ASN HD21 H 6.9 0.02 2 417 41 42 ASN HD22 H 7.63 0.02 2 418 41 42 ASN C C 177.7 0.3 1 419 41 42 ASN CA C 55.9 0.3 1 420 41 42 ASN CB C 38.1 0.3 1 421 41 42 ASN N N 116.3 0.2 1 422 41 42 ASN ND2 N 112.6 0.2 1 423 42 43 SER H H 8.13 0.02 1 424 42 43 SER HA H 4.3 0.02 1 425 42 43 SER HB2 H 4.04 0.02 2 426 42 43 SER HB3 H 4.1 0.02 2 427 42 43 SER C C 176.6 0.3 1 428 42 43 SER CA C 61.2 0.3 1 429 42 43 SER CB C 63.1 0.3 1 430 42 43 SER N N 116.3 0.2 1 431 43 44 ILE H H 7.94 0.02 1 432 43 44 ILE HA H 3.86 0.02 1 433 43 44 ILE HB H 1.89 0.02 1 434 43 44 ILE HD1 H 0.82 0.02 1 435 43 44 ILE HG12 H 1.71 0.02 2 436 43 44 ILE HG13 H 1.11 0.02 2 437 43 44 ILE HG2 H 0.84 0.02 1 438 43 44 ILE C C 178.4 0.3 1 439 43 44 ILE CA C 64.5 0.3 1 440 43 44 ILE CB C 37.9 0.3 1 441 43 44 ILE CD1 C 13.3 0.3 1 442 43 44 ILE CG1 C 28.7 0.3 1 443 43 44 ILE CG2 C 18.1 0.3 1 444 43 44 ILE N N 122.5 0.2 1 445 44 45 LEU H H 8.07 0.02 1 446 44 45 LEU HA H 3.94 0.02 1 447 44 45 LEU HB2 H 1.9 0.02 2 448 44 45 LEU HB3 H 1.3 0.02 2 449 44 45 LEU HD1 H 0.85 0.02 2 450 44 45 LEU HD2 H 0.8 0.02 2 451 44 45 LEU HG H 1.83 0.02 1 452 44 45 LEU C C 178.2 0.3 1 453 44 45 LEU CA C 58.1 0.3 1 454 44 45 LEU CB C 41.1 0.3 1 455 44 45 LEU CD1 C 25.3 0.3 2 456 44 45 LEU CD2 C 23.3 0.3 2 457 44 45 LEU CG C 26.9 0.3 1 458 44 45 LEU N N 119.1 0.2 1 459 45 46 ALA H H 7.76 0.02 1 460 45 46 ALA HA H 4.1 0.02 1 461 45 46 ALA HB H 1.49 0.02 1 462 45 46 ALA C C 178.7 0.3 1 463 45 46 ALA CA C 54.1 0.3 1 464 45 46 ALA CB C 18.1 0.3 1 465 45 46 ALA N N 117.6 0.2 1 466 46 47 GLN H H 7.57 0.02 1 467 46 47 GLN HA H 4.27 0.02 1 468 46 47 GLN HB2 H 2.25 0.02 1 469 46 47 GLN HB3 H 2.25 0.02 1 470 46 47 GLN HG2 H 2.41 0.02 2 471 46 47 GLN HG3 H 2.54 0.02 2 472 46 47 GLN C C 177.8 0.3 1 473 46 47 GLN CA C 57.3 0.3 1 474 46 47 GLN CB C 29.5 0.3 1 475 46 47 GLN CG C 33.8 0.3 1 476 46 47 GLN N N 114.3 0.2 1 477 47 48 VAL H H 7.69 0.02 1 478 47 48 VAL HA H 4.38 0.02 1 479 47 48 VAL HB H 2.31 0.02 1 480 47 48 VAL HG1 H 0.96 0.02 1 481 47 48 VAL HG2 H 0.96 0.02 1 482 47 48 VAL C C 174.4 0.3 1 483 47 48 VAL CA C 62.6 0.3 1 484 47 48 VAL CB C 32.8 0.3 1 485 47 48 VAL CG1 C 21.7 0.3 2 486 47 48 VAL CG2 C 20.2 0.3 2 487 47 48 VAL N N 111.9 0.2 1 488 48 49 LEU H H 7.48 0.02 1 489 48 49 LEU HA H 4.91 0.02 1 490 48 49 LEU HB2 H 1.88 0.02 2 491 48 49 LEU HB3 H 1.51 0.02 2 492 48 49 LEU HD1 H 0.82 0.02 2 493 48 49 LEU HD2 H 0.82 0.02 2 494 48 49 LEU HG H 1.83 0.02 1 495 48 49 LEU C C 177 0.3 1 496 48 49 LEU CA C 53.7 0.3 1 497 48 49 LEU CB C 44.5 0.3 1 498 48 49 LEU CD1 C 23.8 0.3 2 499 48 49 LEU CD2 C 27 0.3 2 500 48 49 LEU CG C 27.2 0.3 1 501 48 49 LEU N N 119.6 0.2 1 502 49 50 ASP H H 8.43 0.02 1 503 49 50 ASP HA H 4.63 0.02 1 504 49 50 ASP HB2 H 3.22 0.02 2 505 49 50 ASP HB3 H 2.55 0.02 2 506 49 50 ASP C C 176 0.3 1 507 49 50 ASP CA C 53 0.3 1 508 49 50 ASP CB C 40.2 0.3 1 509 49 50 ASP N N 121.2 0.2 1 510 50 51 GLN H H 8.58 0.02 1 511 50 51 GLN HA H 3.95 0.02 1 512 50 51 GLN HB2 H 2.17 0.02 2 513 50 51 GLN HB3 H 2.13 0.02 2 514 50 51 GLN HG2 H 2.48 0.02 1 515 50 51 GLN HG3 H 2.48 0.02 1 516 50 51 GLN C C 178.8 0.3 1 517 50 51 GLN CA C 60.2 0.3 1 518 50 51 GLN CB C 28.3 0.3 1 519 50 51 GLN CG C 33.6 0.3 1 520 50 51 GLN N N 118.2 0.2 1 521 51 52 SER H H 8.43 0.02 1 522 51 52 SER HA H 4.32 0.02 1 523 51 52 SER HB2 H 4.05 0.02 2 524 51 52 SER HB3 H 4.11 0.02 2 525 51 52 SER C C 177.2 0.3 1 526 51 52 SER CA C 61.5 0.3 1 527 51 52 SER CB C 62.4 0.3 1 528 51 52 SER N N 117 0.2 1 529 52 53 ALA H H 8.76 0.02 1 530 52 53 ALA HA H 3.96 0.02 1 531 52 53 ALA HB H 1.42 0.02 1 532 52 53 ALA C C 178.9 0.3 1 533 52 53 ALA CA C 55.4 0.3 1 534 52 53 ALA CB C 19.2 0.3 1 535 52 53 ALA N N 127.4 0.2 1 536 53 54 ARG H H 8.64 0.02 1 537 53 54 ARG HA H 3.88 0.02 1 538 53 54 ARG HB2 H 1.84 0.02 2 539 53 54 ARG HB3 H 1.97 0.02 2 540 53 54 ARG HD2 H 3.26 0.02 2 541 53 54 ARG HD3 H 3.18 0.02 2 542 53 54 ARG HG2 H 1.63 0.02 2 543 53 54 ARG HG3 H 1.72 0.02 2 544 53 54 ARG C C 179 0.3 1 545 53 54 ARG CA C 59.7 0.3 1 546 53 54 ARG CB C 29.9 0.3 1 547 53 54 ARG CD C 43.4 0.3 1 548 53 54 ARG CG C 27.9 0.3 1 549 53 54 ARG N N 118.2 0.2 1 550 54 55 ALA H H 7.96 0.02 1 551 54 55 ALA HA H 4.19 0.02 1 552 54 55 ALA HB H 1.5 0.02 1 553 54 55 ALA C C 180.1 0.3 1 554 54 55 ALA CA C 55.1 0.3 1 555 54 55 ALA CB C 17.7 0.3 1 556 54 55 ALA N N 122.2 0.2 1 557 55 56 ARG H H 7.8 0.02 1 558 55 56 ARG HA H 4.16 0.02 1 559 55 56 ARG HB2 H 1.94 0.02 1 560 55 56 ARG HB3 H 1.94 0.02 1 561 55 56 ARG HD2 H 3.32 0.02 2 562 55 56 ARG HD3 H 3.22 0.02 2 563 55 56 ARG HG2 H 1.78 0.02 2 564 55 56 ARG HG3 H 1.68 0.02 2 565 55 56 ARG C C 178.9 0.3 1 566 55 56 ARG CA C 58.3 0.3 1 567 55 56 ARG CB C 29.1 0.3 1 568 55 56 ARG CD C 43.2 0.3 1 569 55 56 ARG CG C 24.8 0.3 1 570 55 56 ARG N N 119.1 0.2 1 571 56 57 LEU H H 8.39 0.02 1 572 56 57 LEU HA H 4.06 0.02 1 573 56 57 LEU HB2 H 1.92 0.02 2 574 56 57 LEU HB3 H 1.59 0.02 2 575 56 57 LEU HD1 H 0.95 0.02 2 576 56 57 LEU HD2 H 0.89 0.02 2 577 56 57 LEU C C 178.1 0.3 1 578 56 57 LEU CA C 57.8 0.3 1 579 56 57 LEU CB C 41.6 0.3 1 580 56 57 LEU CD1 C 24.4 0.3 2 581 56 57 LEU CD2 C 25.9 0.3 2 582 56 57 LEU CG C 25.6 0.3 1 583 56 57 LEU N N 120.6 0.2 1 584 57 58 SER H H 8.15 0.02 1 585 57 58 SER HA H 4.21 0.02 1 586 57 58 SER HB2 H 3.99 0.02 2 587 57 58 SER HB3 H 3.95 0.02 2 588 57 58 SER C C 176.5 0.3 1 589 57 58 SER CA C 61.8 0.3 1 590 57 58 SER CB C 62.6 0.3 1 591 57 58 SER N N 114.1 0.2 1 592 58 59 ASN H H 7.7 0.02 1 593 58 59 ASN HA H 4.58 0.02 1 594 58 59 ASN HB2 H 2.89 0.02 2 595 58 59 ASN HB3 H 2.82 0.02 2 596 58 59 ASN HD21 H 6.92 0.02 2 597 58 59 ASN HD22 H 7.56 0.02 2 598 58 59 ASN C C 178 0.3 1 599 58 59 ASN CA C 56.2 0.3 1 600 58 59 ASN CB C 38.7 0.3 1 601 58 59 ASN N N 119.5 0.2 1 602 58 59 ASN ND2 N 112.4 0.2 1 603 59 60 LEU H H 8.25 0.02 1 604 59 60 LEU HA H 4.07 0.02 1 605 59 60 LEU HB2 H 1.66 0.02 2 606 59 60 LEU HB3 H 1.83 0.02 2 607 59 60 LEU HD1 H 0.89 0.02 2 608 59 60 LEU HD2 H 0.82 0.02 2 609 59 60 LEU C C 178.4 0.3 1 610 59 60 LEU CA C 57.5 0.3 1 611 59 60 LEU CB C 42.1 0.3 1 612 59 60 LEU CD1 C 24.6 0.3 2 613 59 60 LEU CD2 C 23.5 0.3 2 614 59 60 LEU CG C 26.9 0.3 1 615 59 60 LEU N N 123 0.2 1 616 60 61 ALA H H 8.07 0.02 1 617 60 61 ALA HA H 3.91 0.02 1 618 60 61 ALA HB H 1.49 0.02 1 619 60 61 ALA C C 178.4 0.3 1 620 60 61 ALA CA C 54.6 0.3 1 621 60 61 ALA CB C 18.2 0.3 1 622 60 61 ALA N N 120.7 0.2 1 623 61 62 LEU H H 7.17 0.02 1 624 61 62 LEU HA H 4.2 0.02 1 625 61 62 LEU HB2 H 1.65 0.02 2 626 61 62 LEU HB3 H 1.92 0.02 2 627 61 62 LEU HD1 H 0.97 0.02 2 628 61 62 LEU HG H 1.76 0.02 1 629 61 62 LEU C C 178.3 0.3 1 630 61 62 LEU CA C 56.5 0.3 1 631 61 62 LEU CB C 42.1 0.3 1 632 61 62 LEU CD1 C 24.8 0.3 2 633 61 62 LEU CD2 C 23.5 0.3 2 634 61 62 LEU CG C 26.9 0.3 1 635 61 62 LEU N N 113.7 0.2 1 636 62 63 VAL H H 7.33 0.02 1 637 62 63 VAL HA H 4.38 0.02 1 638 62 63 VAL HB H 2.17 0.02 1 639 62 63 VAL HG1 H 1.01 0.02 2 640 62 63 VAL HG2 H 1.03 0.02 2 641 62 63 VAL C C 176.2 0.3 1 642 62 63 VAL CA C 62.8 0.3 1 643 62 63 VAL CB C 33.9 0.3 1 644 62 63 VAL CG1 C 21.7 0.3 2 645 62 63 VAL CG2 C 20 0.3 2 646 62 63 VAL N N 112.5 0.2 1 647 63 64 LYS H H 8.71 0.02 1 648 63 64 LYS HA H 5 0.02 1 649 63 64 LYS HB2 H 1.72 0.02 2 650 63 64 LYS HB3 H 1.94 0.02 2 651 63 64 LYS HD2 H 1.65 0.02 1 652 63 64 LYS HD3 H 1.65 0.02 1 653 63 64 LYS HE2 H 2.99 0.02 1 654 63 64 LYS HE3 H 2.99 0.02 1 655 63 64 LYS HG2 H 1.44 0.02 1 656 63 64 LYS HG3 H 1.44 0.02 1 657 63 64 LYS C C 174.2 0.3 1 658 63 64 LYS CA C 53.6 0.3 1 659 63 64 LYS CB C 33.4 0.3 1 660 63 64 LYS CD C 29.5 0.3 1 661 63 64 LYS CE C 42.1 0.3 1 662 63 64 LYS CG C 24.8 0.3 1 663 63 64 LYS N N 120.4 0.2 1 664 64 65 PRO HA H 4.36 0.02 1 665 64 65 PRO HB2 H 2.54 0.02 2 666 64 65 PRO HB3 H 2.01 0.02 2 667 64 65 PRO HD2 H 3.31 0.02 2 668 64 65 PRO HD3 H 3.77 0.02 2 669 64 65 PRO HG2 H 2.13 0.02 1 670 64 65 PRO HG3 H 2.13 0.02 1 671 64 65 PRO C C 179.4 0.3 1 672 64 65 PRO CA C 66 0.3 1 673 64 65 PRO CB C 31.4 0.3 1 674 64 65 PRO CD C 50.4 0.3 1 675 64 65 PRO CG C 27.4 0.3 1 676 65 66 GLU H H 8.92 0.02 1 677 65 66 GLU HA H 4.2 0.02 1 678 65 66 GLU HB2 H 2.12 0.02 1 679 65 66 GLU HB3 H 2.12 0.02 1 680 65 66 GLU HG2 H 2.34 0.02 2 681 65 66 GLU HG3 H 2.39 0.02 2 682 65 66 GLU C C 179.6 0.3 1 683 65 66 GLU CA C 59.4 0.3 1 684 65 66 GLU CB C 28.3 0.3 1 685 65 66 GLU CG C 35.2 0.3 1 686 65 66 GLU N N 118.7 0.2 1 687 66 67 LYS H H 8 0.02 1 688 66 67 LYS HA H 4.16 0.02 1 689 66 67 LYS HB2 H 1.94 0.02 2 690 66 67 LYS HB3 H 1.78 0.02 2 691 66 67 LYS HD2 H 1.67 0.02 1 692 66 67 LYS HD3 H 1.67 0.02 1 693 66 67 LYS HE2 H 3.22 0.02 1 694 66 67 LYS HE3 H 3.22 0.02 1 695 66 67 LYS HG2 H 1.46 0.02 1 696 66 67 LYS HG3 H 1.46 0.02 1 697 66 67 LYS C C 178.4 0.3 1 698 66 67 LYS CA C 58.5 0.3 1 699 66 67 LYS CB C 32.3 0.3 1 700 66 67 LYS CD C 27.1 0.3 1 701 66 67 LYS CE C 41.8 0.3 1 702 66 67 LYS CG C 23.6 0.3 1 703 66 67 LYS N N 121.3 0.2 1 704 67 68 THR H H 7.96 0.02 1 705 67 68 THR HA H 4.13 0.02 1 706 67 68 THR HB H 3.65 0.02 1 707 67 68 THR HG2 H 1.13 0.02 1 708 67 68 THR C C 176.2 0.3 1 709 67 68 THR CA C 67.8 0.3 1 710 67 68 THR CB C 67.8 0.3 1 711 67 68 THR CG2 C 22 0.3 1 712 67 68 THR N N 114.2 0.2 1 713 68 69 LYS H H 7.77 0.02 1 714 68 69 LYS HA H 3.99 0.02 1 715 68 69 LYS HB2 H 1.91 0.02 1 716 68 69 LYS HB3 H 1.91 0.02 1 717 68 69 LYS HD2 H 1.57 0.02 1 718 68 69 LYS HD3 H 1.57 0.02 1 719 68 69 LYS HE2 H 2.97 0.02 1 720 68 69 LYS HE3 H 2.97 0.02 1 721 68 69 LYS HG2 H 1.46 0.02 1 722 68 69 LYS HG3 H 1.46 0.02 1 723 68 69 LYS C C 178.1 0.3 1 724 68 69 LYS CA C 59.4 0.3 1 725 68 69 LYS CB C 31.7 0.3 1 726 68 69 LYS CD C 28.7 0.3 1 727 68 69 LYS CE C 41.8 0.3 1 728 68 69 LYS CG C 24.8 0.3 1 729 68 69 LYS N N 122 0.2 1 730 69 70 ALA H H 7.48 0.02 1 731 69 70 ALA HA H 4.24 0.02 1 732 69 70 ALA HB H 1.54 0.02 1 733 69 70 ALA C C 181.2 0.3 1 734 69 70 ALA CA C 55.2 0.3 1 735 69 70 ALA CB C 17.9 0.3 1 736 69 70 ALA N N 120.3 0.2 1 737 70 71 VAL H H 8.16 0.02 1 738 70 71 VAL HA H 3.62 0.02 1 739 70 71 VAL HB H 2.31 0.02 1 740 70 71 VAL HG1 H 1 0.02 2 741 70 71 VAL HG2 H 0.92 0.02 2 742 70 71 VAL C C 177.4 0.3 1 743 70 71 VAL CA C 66.6 0.3 1 744 70 71 VAL CB C 31.5 0.3 1 745 70 71 VAL CG1 C 23.8 0.3 2 746 70 71 VAL CG2 C 21.7 0.3 2 747 70 71 VAL N N 120.3 0.2 1 748 71 72 GLU H H 8.69 0.02 1 749 71 72 GLU HA H 3.8 0.02 1 750 71 72 GLU HB2 H 1.92 0.02 2 751 71 72 GLU HB3 H 2.32 0.02 2 752 71 72 GLU HG2 H 2.12 0.02 2 753 71 72 GLU HG3 H 2.71 0.02 2 754 71 72 GLU C C 178 0.3 1 755 71 72 GLU CA C 60.4 0.3 1 756 71 72 GLU CB C 29.2 0.3 1 757 71 72 GLU CG C 36.1 0.3 1 758 71 72 GLU N N 119.3 0.2 1 759 72 73 ASN H H 8.46 0.02 1 760 72 73 ASN HA H 4.44 0.02 1 761 72 73 ASN HB2 H 2.95 0.02 2 762 72 73 ASN HB3 H 2.85 0.02 2 763 72 73 ASN HD21 H 6.9 0.02 2 764 72 73 ASN HD22 H 7.67 0.02 2 765 72 73 ASN C C 177.6 0.3 1 766 72 73 ASN CA C 56.2 0.3 1 767 72 73 ASN CB C 37.6 0.3 1 768 72 73 ASN N N 115.9 0.2 1 769 72 73 ASN ND2 N 111.6 0.2 1 770 73 74 TYR H H 7.94 0.02 1 771 73 74 TYR HA H 4.2 0.02 1 772 73 74 TYR HB2 H 3.12 0.02 2 773 73 74 TYR HB3 H 3.27 0.02 2 774 73 74 TYR HD1 H 6.98 0.02 1 775 73 74 TYR HD2 H 6.98 0.02 1 776 73 74 TYR HE1 H 6.8 0.02 1 777 73 74 TYR HE2 H 6.8 0.02 1 778 73 74 TYR C C 177.6 0.3 1 779 73 74 TYR CA C 61.5 0.3 1 780 73 74 TYR CB C 38.4 0.3 1 781 73 74 TYR CD1 C 133 0.3 1 782 73 74 TYR CD2 C 133 0.3 1 783 73 74 TYR CE1 C 118 0.3 1 784 73 74 TYR CE2 C 118 0.3 1 785 73 74 TYR N N 122.4 0.2 1 786 74 75 LEU H H 8.41 0.02 1 787 74 75 LEU HA H 3.93 0.02 1 788 74 75 LEU HB2 H 2.12 0.02 2 789 74 75 LEU HB3 H 1.21 0.02 2 790 74 75 LEU HD1 H 0.83 0.02 2 791 74 75 LEU HD2 H 0.95 0.02 2 792 74 75 LEU HG H 2.07 0.02 1 793 74 75 LEU C C 178.5 0.3 1 794 74 75 LEU CA C 58.1 0.3 1 795 74 75 LEU CB C 42.6 0.3 1 796 74 75 LEU CD1 C 27.2 0.3 2 797 74 75 LEU CD2 C 23.4 0.3 2 798 74 75 LEU CG C 27.2 0.3 1 799 74 75 LEU N N 119.5 0.2 1 800 75 76 ILE H H 8.4 0.02 1 801 75 76 ILE HA H 3.57 0.02 1 802 75 76 ILE HB H 1.94 0.02 1 803 75 76 ILE HG12 H 1.76 0.02 2 804 75 76 ILE HG13 H 1.76 0.02 2 805 75 76 ILE HG2 H 0.89 0.02 1 806 75 76 ILE C C 178.1 0.3 1 807 75 76 ILE CA C 65.2 0.3 1 808 75 76 ILE CB C 37.8 0.3 1 809 75 76 ILE CD1 C 13 0.3 1 810 75 76 ILE CG1 C 29.5 0.3 1 811 75 76 ILE CG2 C 17.1 0.3 1 812 75 76 ILE N N 118.6 0.2 1 813 76 77 GLN H H 7.83 0.02 1 814 76 77 GLN HA H 3.92 0.02 1 815 76 77 GLN HB2 H 2.11 0.02 1 816 76 77 GLN HB3 H 2.11 0.02 1 817 76 77 GLN HG2 H 2.31 0.02 1 818 76 77 GLN HG3 H 2.31 0.02 1 819 76 77 GLN C C 178.1 0.3 1 820 76 77 GLN CA C 59.1 0.3 1 821 76 77 GLN CB C 28 0.3 1 822 76 77 GLN CG C 33.7 0.3 1 823 76 77 GLN N N 119.3 0.2 1 824 77 78 MET H H 8.06 0.02 1 825 77 78 MET HA H 4.04 0.02 1 826 77 78 MET HB2 H 2.2 0.02 2 827 77 78 MET HB3 H 2.32 0.02 2 828 77 78 MET C C 178.7 0.3 1 829 77 78 MET CA C 58.6 0.3 1 830 77 78 MET CB C 33 0.3 1 831 77 78 MET CG C 28.5 0.3 1 832 77 78 MET N N 117.6 0.2 1 833 78 79 ALA H H 8.21 0.02 1 834 78 79 ALA HA H 4.19 0.02 1 835 78 79 ALA HB H 1.44 0.02 1 836 78 79 ALA C C 180.6 0.3 1 837 78 79 ALA CA C 54.1 0.3 1 838 78 79 ALA CB C 18.4 0.3 1 839 78 79 ALA N N 121.4 0.2 1 840 79 80 ARG H H 8.12 0.02 1 841 79 80 ARG HA H 3.96 0.02 1 842 79 80 ARG HB2 H 1.6 0.02 2 843 79 80 ARG HB3 H 1.75 0.02 2 844 79 80 ARG HD2 H 3 0.02 1 845 79 80 ARG HD3 H 3 0.02 1 846 79 80 ARG HG2 H 1.35 0.02 1 847 79 80 ARG HG3 H 1.35 0.02 1 848 79 80 ARG C C 177.9 0.3 1 849 79 80 ARG CA C 58.8 0.3 1 850 79 80 ARG CB C 29.9 0.3 1 851 79 80 ARG CD C 43.4 0.3 1 852 79 80 ARG CG C 27.2 0.3 1 853 79 80 ARG N N 119.1 0.2 1 854 80 81 TYR H H 7.8 0.02 1 855 80 81 TYR HA H 4.71 0.02 1 856 80 81 TYR HB2 H 2.86 0.02 2 857 80 81 TYR HB3 H 3.38 0.02 2 858 80 81 TYR HD1 H 7.18 0.02 1 859 80 81 TYR HD2 H 7.18 0.02 1 860 80 81 TYR HE1 H 6.79 0.02 1 861 80 81 TYR HE2 H 6.79 0.02 1 862 80 81 TYR C C 176.5 0.3 1 863 80 81 TYR CA C 57.5 0.3 1 864 80 81 TYR CB C 38.1 0.3 1 865 80 81 TYR CD1 C 132.7 0.3 1 866 80 81 TYR CD2 C 132.7 0.3 1 867 80 81 TYR CE1 C 118 0.3 1 868 80 81 TYR CE2 C 118 0.3 1 869 80 81 TYR N N 115.9 0.2 1 870 81 82 GLY H H 7.85 0.02 1 871 81 82 GLY HA2 H 4.03 0.02 1 872 81 82 GLY HA3 H 4.03 0.02 1 873 81 82 GLY C C 174.9 0.3 1 874 81 82 GLY CA C 46.3 0.3 1 875 81 82 GLY N N 108.5 0.2 1 876 82 83 GLN H H 8.2 0.02 1 877 82 83 GLN HA H 4.31 0.02 1 878 82 83 GLN HB2 H 1.94 0.02 1 879 82 83 GLN HB3 H 1.94 0.02 1 880 82 83 GLN HG2 H 2.32 0.02 1 881 82 83 GLN HG3 H 2.31 0.02 1 882 82 83 GLN C C 175.5 0.3 1 883 82 83 GLN CA C 55.7 0.3 1 884 82 83 GLN CB C 29.4 0.3 1 885 82 83 GLN CG C 34.1 0.3 1 886 82 83 GLN N N 116.9 0.2 1 887 83 84 LEU H H 7.99 0.02 1 888 83 84 LEU HA H 4.61 0.02 1 889 83 84 LEU HB2 H 1.56 0.02 1 890 83 84 LEU HB3 H 1.56 0.02 1 891 83 84 LEU HD1 H 0.94 0.02 2 892 83 84 LEU HD2 H 0.9 0.02 2 893 83 84 LEU HG H 1.5 0.02 1 894 83 84 LEU C C 176.5 0.3 1 895 83 84 LEU CA C 54.3 0.3 1 896 83 84 LEU CB C 42.6 0.3 1 897 83 84 LEU CD1 C 25.4 0.3 2 898 83 84 LEU CD2 C 24.1 0.3 2 899 83 84 LEU CG C 26.8 0.3 1 900 83 84 LEU N N 121.4 0.2 1 901 84 85 SER H H 8.63 0.02 1 902 84 85 SER HA H 4.41 0.02 1 903 84 85 SER HB2 H 3.84 0.02 2 904 84 85 SER HB3 H 3.92 0.02 2 905 84 85 SER C C 173.7 0.3 1 906 84 85 SER CA C 59.4 0.3 1 907 84 85 SER CB C 63.9 0.3 1 908 84 85 SER N N 118.4 0.2 1 909 85 86 GLU H H 7.69 0.02 1 910 85 86 GLU HA H 4.53 0.02 1 911 85 86 GLU HB2 H 1.94 0.02 2 912 85 86 GLU HB3 H 2.13 0.02 2 913 85 86 GLU HG2 H 2.31 0.02 1 914 85 86 GLU HG3 H 2.31 0.02 1 915 85 86 GLU C C 175.4 0.3 1 916 85 86 GLU CA C 54.9 0.3 1 917 85 86 GLU CB C 31.2 0.3 1 918 85 86 GLU CG C 34.7 0.3 1 919 85 86 GLU N N 119.4 0.2 1 920 86 87 LYS H H 8.38 0.02 1 921 86 87 LYS HA H 4.23 0.02 1 922 86 87 LYS HB2 H 1.72 0.02 2 923 86 87 LYS HB3 H 1.64 0.02 2 924 86 87 LYS HE2 H 2.96 0.02 1 925 86 87 LYS HE3 H 2.96 0.02 1 926 86 87 LYS HG2 H 1.49 0.02 1 927 86 87 LYS HG3 H 1.49 0.02 1 928 86 87 LYS C C 176.9 0.3 1 929 86 87 LYS CA C 57 0.3 1 930 86 87 LYS CB C 33.3 0.3 1 931 86 87 LYS CD C 28.9 0.3 1 932 86 87 LYS CE C 41.9 0.3 1 933 86 87 LYS CG C 24.6 0.3 1 934 86 87 LYS N N 120.4 0.2 1 935 87 88 VAL H H 8.96 0.02 1 936 87 88 VAL HA H 3.97 0.02 1 937 87 88 VAL HB H 2.08 0.02 1 938 87 88 VAL HG1 H 1.01 0.02 2 939 87 88 VAL HG2 H 0.97 0.02 2 940 87 88 VAL C C 174.7 0.3 1 941 87 88 VAL CA C 63.3 0.3 1 942 87 88 VAL CB C 32.4 0.3 1 943 87 88 VAL CG1 C 21.2 0.3 2 944 87 88 VAL N N 125.2 0.2 1 945 88 89 SER H H 8.19 0.02 1 946 88 89 SER HA H 4.99 0.02 1 947 88 89 SER HB2 H 4.42 0.02 2 948 88 89 SER HB3 H 4.03 0.02 2 949 88 89 SER C C 175.7 0.3 1 950 88 89 SER CA C 56.2 0.3 1 951 88 89 SER CB C 66.6 0.3 1 952 88 89 SER N N 121.7 0.2 1 953 89 90 GLU H H 9.23 0.02 1 954 89 90 GLU HA H 3.72 0.02 1 955 89 90 GLU HB2 H 2.07 0.02 2 956 89 90 GLU HB3 H 1.97 0.02 2 957 89 90 GLU HG2 H 2.26 0.02 2 958 89 90 GLU HG3 H 2.13 0.02 2 959 89 90 GLU C C 177.7 0.3 1 960 89 90 GLU CA C 61.2 0.3 1 961 89 90 GLU CB C 29.1 0.3 1 962 89 90 GLU CG C 36.3 0.3 1 963 89 90 GLU N N 121.6 0.2 1 964 90 91 GLN H H 8.43 0.02 1 965 90 91 GLN HA H 4.04 0.02 1 966 90 91 GLN HB2 H 2.03 0.02 1 967 90 91 GLN HB3 H 2.02 0.02 1 968 90 91 GLN HE21 H 7.61 0.02 1 969 90 91 GLN HE22 H 6.85 0.02 1 970 90 91 GLN HG2 H 2.44 0.02 1 971 90 91 GLN HG3 H 2.44 0.02 1 972 90 91 GLN C C 178.9 0.3 1 973 90 91 GLN CA C 59.1 0.3 1 974 90 91 GLN CB C 27.8 0.3 1 975 90 91 GLN CG C 33.6 0.3 1 976 90 91 GLN N N 117.1 0.2 1 977 90 91 GLN NE2 N 112.5 0.2 1 978 91 92 GLY H H 8.08 0.02 1 979 91 92 GLY HA2 H 3.89 0.02 1 980 91 92 GLY HA3 H 3.89 0.02 1 981 91 92 GLY C C 176.6 0.3 1 982 91 92 GLY CA C 46.9 0.3 1 983 91 92 GLY N N 109.4 0.2 1 984 92 93 LEU H H 8.61 0.02 1 985 92 93 LEU HA H 4 0.02 1 986 92 93 LEU HB2 H 2.12 0.02 2 987 92 93 LEU HB3 H 1.51 0.02 2 988 92 93 LEU HD1 H 0.96 0.02 2 989 92 93 LEU HD2 H 0.93 0.02 2 990 92 93 LEU HG H 1.66 0.02 1 991 92 93 LEU C C 178 0.3 1 992 92 93 LEU CA C 57.5 0.3 1 993 92 93 LEU CB C 41.8 0.3 1 994 92 93 LEU CD1 C 26.7 0.3 2 995 92 93 LEU CD2 C 24.3 0.3 2 996 92 93 LEU CG C 26.6 0.3 1 997 92 93 LEU N N 123.7 0.2 1 998 93 94 ILE H H 7.97 0.02 1 999 93 94 ILE HA H 3.64 0.02 1 1000 93 94 ILE HB H 2.11 0.02 1 1001 93 94 ILE HD1 H 0.82 0.02 1 1002 93 94 ILE HG12 H 1.68 0.02 2 1003 93 94 ILE HG13 H 1.32 0.02 2 1004 93 94 ILE HG2 H 0.93 0.02 1 1005 93 94 ILE C C 178.5 0.3 1 1006 93 94 ILE CA C 64.8 0.3 1 1007 93 94 ILE CB C 37.1 0.3 1 1008 93 94 ILE CD1 C 11.9 0.3 1 1009 93 94 ILE CG1 C 28.9 0.3 1 1010 93 94 ILE CG2 C 17.2 0.3 1 1011 93 94 ILE N N 119.9 0.2 1 1012 94 95 GLU H H 7.61 0.02 1 1013 94 95 GLU HA H 4.09 0.02 1 1014 94 95 GLU HB2 H 2.19 0.02 1 1015 94 95 GLU HB3 H 2.19 0.02 1 1016 94 95 GLU HG2 H 2.39 0.02 1 1017 94 95 GLU HG3 H 2.39 0.02 1 1018 94 95 GLU C C 179.4 0.3 1 1019 94 95 GLU CA C 59.2 0.3 1 1020 94 95 GLU CB C 28.8 0.3 1 1021 94 95 GLU CG C 35.5 0.3 1 1022 94 95 GLU N N 118.8 0.2 1 1023 95 96 ILE H H 7.84 0.02 1 1024 95 96 ILE HA H 3.52 0.02 1 1025 95 96 ILE HB H 2 0.02 1 1026 95 96 ILE HD1 H 0.9 0.02 1 1027 95 96 ILE HG12 H 1.83 0.02 2 1028 95 96 ILE HG13 H 1.05 0.02 2 1029 95 96 ILE HG2 H 0.73 0.02 1 1030 95 96 ILE C C 177.5 0.3 1 1031 95 96 ILE CA C 65.5 0.3 1 1032 95 96 ILE CB C 37.9 0.3 1 1033 95 96 ILE CD1 C 13.8 0.3 1 1034 95 96 ILE CG1 C 29.3 0.3 1 1035 95 96 ILE CG2 C 18.2 0.3 1 1036 95 96 ILE N N 121.6 0.2 1 1037 96 97 LEU H H 8.62 0.02 1 1038 96 97 LEU HA H 3.8 0.02 1 1039 96 97 LEU HB2 H 1.73 0.02 1 1040 96 97 LEU HB3 H 1.73 0.02 1 1041 96 97 LEU HD1 H 0.81 0.02 2 1042 96 97 LEU HG H 1.65 0.02 1 1043 96 97 LEU C C 179.4 0.3 1 1044 96 97 LEU CA C 58.6 0.3 1 1045 96 97 LEU CB C 41.5 0.3 1 1046 96 97 LEU CD1 C 24.8 0.3 2 1047 96 97 LEU CG C 27.3 0.3 1 1048 96 97 LEU N N 120.4 0.2 1 1049 97 98 LYS H H 7.75 0.02 1 1050 97 98 LYS HA H 3.99 0.02 1 1051 97 98 LYS HB2 H 1.92 0.02 1 1052 97 98 LYS HB3 H 1.92 0.02 1 1053 97 98 LYS HD2 H 1.68 0.02 1 1054 97 98 LYS HD3 H 1.68 0.02 1 1055 97 98 LYS HE2 H 2.9 0.02 1 1056 97 98 LYS HE3 H 2.9 0.02 1 1057 97 98 LYS HG2 H 1.38 0.02 1 1058 97 98 LYS HG3 H 1.38 0.02 1 1059 97 98 LYS C C 178.6 0.3 1 1060 97 98 LYS CA C 59.4 0.3 1 1061 97 98 LYS CB C 32.3 0.3 1 1062 97 98 LYS CE C 41.8 0.3 1 1063 97 98 LYS CG C 24.9 0.3 1 1064 97 98 LYS N N 119 0.2 1 1065 98 99 LYS H H 7.71 0.02 1 1066 98 99 LYS HA H 4.11 0.02 1 1067 98 99 LYS HB2 H 1.88 0.02 1 1068 98 99 LYS HB3 H 1.88 0.02 1 1069 98 99 LYS HD2 H 1.57 0.02 2 1070 98 99 LYS HD3 H 1.68 0.02 2 1071 98 99 LYS HE2 H 2.97 0.02 1 1072 98 99 LYS HE3 H 2.97 0.02 1 1073 98 99 LYS HG2 H 1.46 0.02 2 1074 98 99 LYS HG3 H 1.42 0.02 2 1075 98 99 LYS C C 179.1 0.3 1 1076 98 99 LYS CA C 59.1 0.3 1 1077 98 99 LYS CB C 32.5 0.3 1 1078 98 99 LYS CD C 28.9 0.3 1 1079 98 99 LYS CE C 41.9 0.3 1 1080 98 99 LYS CG C 24.8 0.3 1 1081 98 99 LYS N N 119.5 0.2 1 1082 99 100 VAL H H 8.21 0.02 1 1083 99 100 VAL HA H 3.92 0.02 1 1084 99 100 VAL HB H 2.09 0.02 1 1085 99 100 VAL HG1 H 0.79 0.02 2 1086 99 100 VAL C C 177.6 0.3 1 1087 99 100 VAL CA C 64.2 0.3 1 1088 99 100 VAL CB C 31.5 0.3 1 1089 99 100 VAL CG1 C 21.2 0.3 2 1090 99 100 VAL N N 115.8 0.2 1 1091 100 101 SER H H 7.9 0.02 1 1092 100 101 SER HA H 4.34 0.02 1 1093 100 101 SER HB2 H 3.97 0.02 2 1094 100 101 SER HB3 H 3.92 0.02 2 1095 100 101 SER C C 174.6 0.3 1 1096 100 101 SER CA C 60.4 0.3 1 1097 100 101 SER CB C 63.6 0.3 1 1098 100 101 SER N N 116.5 0.2 1 1099 101 102 GLN H H 7.86 0.02 1 1100 101 102 GLN HA H 4.28 0.02 1 1101 101 102 GLN HB2 H 2.12 0.02 1 1102 101 102 GLN HB3 H 2.12 0.02 1 1103 101 102 GLN HG2 H 2.4 0.02 1 1104 101 102 GLN HG3 H 2.4 0.02 1 1105 101 102 GLN C C 176.4 0.3 1 1106 101 102 GLN CA C 56.8 0.3 1 1107 101 102 GLN CB C 28.9 0.3 1 1108 101 102 GLN CG C 33.8 0.3 1 1109 101 102 GLN N N 120.1 0.2 1 1110 102 103 GLN H H 8.08 0.02 1 1111 102 103 GLN HA H 4.36 0.02 1 1112 102 103 GLN HB2 H 2.11 0.02 1 1113 102 103 GLN HB3 H 2.11 0.02 1 1114 102 103 GLN HG2 H 2.47 0.02 2 1115 102 103 GLN HG3 H 2.4 0.02 2 1116 102 103 GLN C C 176.5 0.3 1 1117 102 103 GLN CA C 56.7 0.3 1 1118 102 103 GLN CB C 29 0.3 1 1119 102 103 GLN CG C 33.8 0.3 1 1120 102 103 GLN N N 119.7 0.2 1 1121 103 104 THR H H 8.07 0.02 1 1122 103 104 THR HA H 4.35 0.02 1 1123 103 104 THR HB H 4.27 0.02 1 1124 103 104 THR HG2 H 1.22 0.02 1 1125 103 104 THR C C 174.7 0.3 1 1126 103 104 THR CA C 62.5 0.3 1 1127 103 104 THR CB C 69.8 0.3 1 1128 103 104 THR CG2 C 21.7 0.3 1 1129 103 104 THR N N 113.9 0.2 1 1130 104 105 GLU H H 8.29 0.02 1 1131 104 105 GLU HA H 4.35 0.02 1 1132 104 105 GLU HB2 H 2 0.02 2 1133 104 105 GLU HB3 H 2.09 0.02 2 1134 104 105 GLU HG2 H 2.34 0.02 1 1135 104 105 GLU HG3 H 2.34 0.02 1 1136 104 105 GLU C C 176.3 0.3 1 1137 104 105 GLU CA C 56.7 0.3 1 1138 104 105 GLU CB C 29.9 0.3 1 1139 104 105 GLU CG C 35.4 0.3 1 1140 104 105 GLU N N 122.9 0.2 1 1141 105 106 LYS H H 8.32 0.02 1 1142 105 106 LYS HA H 4.39 0.02 1 1143 105 106 LYS HB2 H 1.81 0.02 1 1144 105 106 LYS HB3 H 1.81 0.02 1 1145 105 106 LYS HD2 H 1.68 0.02 1 1146 105 106 LYS HD3 H 1.68 0.02 1 1147 105 106 LYS HE2 H 2.99 0.02 1 1148 105 106 LYS HE3 H 2.99 0.02 1 1149 105 106 LYS HG2 H 1.48 0.02 2 1150 105 106 LYS HG3 H 1.42 0.02 2 1151 105 106 LYS C C 176.8 0.3 1 1152 105 106 LYS CA C 56.7 0.3 1 1153 105 106 LYS CB C 32.8 0.3 1 1154 105 106 LYS CD C 28.8 0.3 1 1155 105 106 LYS CE C 41.9 0.3 1 1156 105 106 LYS CG C 24.7 0.3 1 1157 105 106 LYS N N 121.9 0.2 1 1158 106 107 THR H H 8.15 0.02 1 1159 106 107 THR HA H 4.43 0.02 1 1160 106 107 THR HB H 4.25 0.02 1 1161 106 107 THR HG2 H 1.21 0.02 1 1162 106 107 THR C C 174.6 0.3 1 1163 106 107 THR CA C 62 0.3 1 1164 106 107 THR CB C 70 0.3 1 1165 106 107 THR CG2 C 21.4 0.3 1 1166 106 107 THR N N 115 0.2 1 1167 107 108 THR H H 8.19 0.02 1 1168 107 108 THR HA H 4.44 0.02 1 1169 107 108 THR HB H 4.25 0.02 1 1170 107 108 THR HG2 H 1.21 0.02 1 1171 107 108 THR C C 174.5 0.3 1 1172 107 108 THR CA C 62 0.3 1 1173 107 108 THR CB C 69.8 0.3 1 1174 107 108 THR CG2 C 21.4 0.3 1 1175 107 108 THR N N 116.5 0.2 1 1176 108 109 THR H H 8.17 0.02 1 1177 108 109 THR HA H 4.35 0.02 1 1178 108 109 THR HB H 4.17 0.02 1 1179 108 109 THR HG2 H 1.17 0.02 1 1180 108 109 THR C C 174.2 0.3 1 1181 108 109 THR CA C 62 0.3 1 1182 108 109 THR CB C 69.8 0.3 1 1183 108 109 THR CG2 C 21.5 0.3 1 1184 108 109 THR N N 117.2 0.2 1 1185 109 110 VAL H H 8.1 0.02 1 1186 109 110 VAL HA H 4.04 0.02 1 1187 109 110 VAL HB H 1.95 0.02 1 1188 109 110 VAL HG1 H 0.76 0.02 2 1189 109 110 VAL HG2 H 0.86 0.02 2 1190 109 110 VAL C C 175.2 0.3 1 1191 109 110 VAL CA C 62.3 0.3 1 1192 109 110 VAL CB C 32.6 0.3 1 1193 109 110 VAL CG1 C 20.8 0.3 2 1194 109 110 VAL N N 123.1 0.2 1 1195 110 111 LYS H H 8.2 0.02 1 1196 110 111 LYS HA H 4.31 0.02 1 1197 110 111 LYS HB2 H 1.64 0.02 2 1198 110 111 LYS HB3 H 1.73 0.02 2 1199 110 111 LYS HD2 H 1.63 0.02 1 1200 110 111 LYS HD3 H 1.63 0.02 1 1201 110 111 LYS HE2 H 2.96 0.02 1 1202 110 111 LYS HE3 H 2.96 0.02 1 1203 110 111 LYS HG2 H 1.35 0.02 2 1204 110 111 LYS HG3 H 1.3 0.02 2 1205 110 111 LYS C C 175.7 0.3 1 1206 110 111 LYS CA C 55.7 0.3 1 1207 110 111 LYS CB C 33.3 0.3 1 1208 110 111 LYS CD C 28.8 0.3 1 1209 110 111 LYS CE C 41.8 0.3 1 1210 110 111 LYS CG C 24.6 0.3 1 1211 110 111 LYS N N 125.2 0.2 1 1212 111 112 PHE H H 8.31 0.02 1 1213 111 112 PHE HA H 4.65 0.02 1 1214 111 112 PHE HB2 H 2.94 0.02 2 1215 111 112 PHE HB3 H 3.18 0.02 2 1216 111 112 PHE C C 174.5 0.3 1 1217 111 112 PHE CA C 57.5 0.3 1 1218 111 112 PHE CB C 39.7 0.3 1 1219 111 112 PHE N N 122.1 0.2 1 1220 112 113 ASN H H 7.96 0.02 1 1221 112 113 ASN HA H 4.43 0.02 1 1222 112 113 ASN HB2 H 2.74 0.02 2 1223 112 113 ASN HB3 H 2.68 0.02 2 1224 112 113 ASN HD21 H 6.75 0.02 2 1225 112 113 ASN HD22 H 7.47 0.02 2 1226 112 113 ASN C C 179.1 0.3 1 1227 112 113 ASN CA C 54.7 0.3 1 1228 112 113 ASN CB C 40.2 0.3 1 1229 112 113 ASN N N 124.8 0.2 1 1230 112 113 ASN ND2 N 112.4 0.2 1 stop_ save_