data_6843 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the NOD1 Caspase Activating and Recruitment Domain ; _BMRB_accession_number 6843 _BMRB_flat_file_name bmr6843.str _Entry_type original _Submission_date 2005-10-03 _Accession_date 2005-10-03 _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 Manon F. . . 2 Favier A. . . 3 Simorre J. P. . 4 Cusack S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 544 "13C chemical shifts" 419 "15N chemical shifts" 97 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-11-06 original author 'original release' 2007-11-14 update BMRB 'complete entry citation' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of NOD1 CARD and Mutational Analysis of its Interaction with the CARD of Downstream Kinase RICK ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17054981 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Manon F. . . 2 Favier A. . . 3 Nunez G. . . 4 Simorre J. P. . 5 Cusack S. . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 365 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 160 _Page_last 174 _Year 2007 _Details . loop_ _Keyword CARD4 'Caspase recruitment domain' 'greek key' inflammation NF-kB 'six-helix bundle' stop_ save_ ################################## # Molecular system description # ################################## save_system_CARD4 _Saveframe_category molecular_system _Mol_system_name 'Caspase recruitment domain protein 4' _Abbreviation_common CARD4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Caspase recruitment domain protein 4' $NOD1_CARD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NOD1_CARD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Caspase recruitment domain protein 4' _Abbreviation_common CARD4 _Molecular_mass 14502 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; GAMESHPHIQLLKSNRELLV THIRNTQCLVDNLLKNDYFS AEDAEIVCACPTQPDKVRKI LDLVQSKGEEVSEFFLYLLQ QLADAYVDLRPWLLEIGFSP SLLTQSKVVVNTDPVSRYTQ QLRHHLG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 12 GLY 2 13 ALA 3 14 MET 4 15 GLU 5 16 SER 6 17 HIS 7 18 PRO 8 19 HIS 9 20 ILE 10 21 GLN 11 22 LEU 12 23 LEU 13 24 LYS 14 25 SER 15 26 ASN 16 27 ARG 17 28 GLU 18 29 LEU 19 30 LEU 20 31 VAL 21 32 THR 22 33 HIS 23 34 ILE 24 35 ARG 25 36 ASN 26 37 THR 27 38 GLN 28 39 CYS 29 40 LEU 30 41 VAL 31 42 ASP 32 43 ASN 33 44 LEU 34 45 LEU 35 46 LYS 36 47 ASN 37 48 ASP 38 49 TYR 39 50 PHE 40 51 SER 41 52 ALA 42 53 GLU 43 54 ASP 44 55 ALA 45 56 GLU 46 57 ILE 47 58 VAL 48 59 CYS 49 60 ALA 50 61 CYS 51 62 PRO 52 63 THR 53 64 GLN 54 65 PRO 55 66 ASP 56 67 LYS 57 68 VAL 58 69 ARG 59 70 LYS 60 71 ILE 61 72 LEU 62 73 ASP 63 74 LEU 64 75 VAL 65 76 GLN 66 77 SER 67 78 LYS 68 79 GLY 69 80 GLU 70 81 GLU 71 82 VAL 72 83 SER 73 84 GLU 74 85 PHE 75 86 PHE 76 87 LEU 77 88 TYR 78 89 LEU 79 90 LEU 80 91 GLN 81 92 GLN 82 93 LEU 83 94 ALA 84 95 ASP 85 96 ALA 86 97 TYR 87 98 VAL 88 99 ASP 89 100 LEU 90 101 ARG 91 102 PRO 92 103 TRP 93 104 LEU 94 105 LEU 95 106 GLU 96 107 ILE 97 108 GLY 98 109 PHE 99 110 SER 100 111 PRO 101 112 SER 102 113 LEU 103 114 LEU 104 115 THR 105 116 GLN 106 117 SER 107 118 LYS 108 119 VAL 109 120 VAL 110 121 VAL 111 122 ASN 112 123 THR 113 124 ASP 114 125 PRO 115 126 VAL 116 127 SER 117 128 ARG 118 129 TYR 119 130 THR 120 131 GLN 121 132 GLN 122 133 LEU 123 134 ARG 124 135 HIS 125 136 HIS 126 137 LEU 127 138 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 2B1W "Solution Structure Of The Nod1 Caspase Activating And Recruitment Domain" 100.00 127 100.00 100.00 1.19e-87 PDB 2DBD "Solution Structure Of The Card Domain In Human Caspase Recruitment Domain Protein 4 (Nod1 Protein)" 74.80 107 98.95 98.95 5.83e-62 PDB 2NSN "Crystal Structure Of Caspace Activation And Recruitment Domain (Card) Of Nod1" 74.02 95 98.94 98.94 1.28e-60 PDB 2NZ7 "Crystal Structure Analysis Of Caspase-Recruitment Domain (Card) Of Nod1" 72.44 98 100.00 100.00 1.47e-59 PDB 4E9M "Nod1 Card Domain With Three Disulfide-clinched, Domain-swapped Dimers In The Asymmetric Unit" 97.64 144 100.00 100.00 1.42e-84 PDB 4JQW "Crystal Structure Of A Complex Of Nod1 Card And Ubiquitin" 74.02 102 97.87 97.87 4.73e-59 DBJ BAG51242 "unnamed protein product [Homo sapiens]" 97.64 779 100.00 100.00 1.03e-77 DBJ BAG62105 "unnamed protein product [Homo sapiens]" 97.64 249 100.00 100.00 5.69e-84 GB AAD28350 "Nod1 [Homo sapiens]" 97.64 953 100.00 100.00 2.86e-77 GB AAD29125 "CARD4 [Homo sapiens]" 97.64 953 100.00 100.00 2.86e-77 GB AAD43922 "NOD1 protein [Homo sapiens]" 97.64 953 100.00 100.00 2.86e-77 GB AAH40339 "NOD1 protein [Homo sapiens]" 97.64 953 100.00 100.00 2.86e-77 GB AAS46897 "unknown [Homo sapiens]" 97.64 953 100.00 100.00 2.86e-77 REF NP_006083 "nucleotide-binding oligomerization domain-containing protein 1 [Homo sapiens]" 97.64 953 100.00 100.00 2.86e-77 REF XP_001165528 "PREDICTED: nucleotide-binding oligomerization domain-containing protein 1 isoform X3 [Pan troglodytes]" 97.64 953 100.00 100.00 2.64e-77 REF XP_002818131 "PREDICTED: nucleotide-binding oligomerization domain-containing protein 1 isoform X1 [Pongo abelii]" 97.64 953 100.00 100.00 2.32e-77 REF XP_003270528 "PREDICTED: nucleotide-binding oligomerization domain-containing protein 1 [Nomascus leucogenys]" 97.64 953 99.19 100.00 7.13e-77 REF XP_003833425 "PREDICTED: nucleotide-binding oligomerization domain-containing protein 1 isoform X2 [Pan paniscus]" 97.64 953 100.00 100.00 2.75e-77 SP Q9Y239 "RecName: Full=Nucleotide-binding oligomerization domain-containing protein 1; AltName: Full=Caspase recruitment domain-containi" 97.64 953 100.00 100.00 2.86e-77 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Fraction $NOD1_CARD Human 9606 Eukaryota Metazoa Homo sapiens cytoplasm stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name $NOD1_CARD 'recombinant technology' 'E. coli' Escherichia coli BL21 DE3 plasmid pET-M11 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $NOD1_CARD 1.4 mM 1.2 1.6 '[U-95% 13C; U-90% 15N]' 'phosphate buffer' 25 mM . . . NaCl 100 mM . . . DTT 5 mM . . . H2O 95 % . . . D2O 5 % . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NOD1_CARD 1.4 mM '[U-90% 15N]' 'phosphate buffer' 25 mM . NaCl 100 mM . DTT 5 mM . H2O 95 % . D2O 5 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Task processing stop_ _Details 'F.Delaglio, S.Grzesiek, G.W.Vuister, G.Zhu, J.Pfeifer, A.Bax.' save_ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Task collection stop_ _Details 'B.A.Johnson, R.A.Blevins' save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Task 'structure solution' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 2.0 loop_ _Task refinement 'structure solution' stop_ _Details 'M.Habeck, W.Rieping, J.P.Linge, M.Nilges' save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version 2.3 loop_ _Task processing stop_ _Details F.Delaglio save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_H(C)CH-TOCSY3D_13C-separated_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'H(C)CH-TOCSY3D 13C-separated NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_15N-separated NOESY' _Sample_label . save_ save_3D_methyl_selected_NOESY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D methyl selected NOESY-HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'H(C)CH-TOCSY3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D methyl selected NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 7 0.1 pH pressure 1 . atm temperature 303 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Caspase recruitment domain protein 4' _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 12 1 GLY C C 175.98 0.15 1 2 13 2 ALA H H 7.90 0.02 1 3 13 2 ALA HA H 4.36 0.02 1 4 13 2 ALA HB H 1.42 0.02 1 5 13 2 ALA C C 177.91 0.15 1 6 13 2 ALA CA C 52.50 0.15 1 7 13 2 ALA CB C 19.29 0.15 1 8 13 2 ALA N N 120.69 0.15 1 9 14 3 MET H H 8.51 0.02 1 10 14 3 MET HA H 4.45 0.02 1 11 14 3 MET HB2 H 2.71 0.02 2 12 14 3 MET HB3 H 2.62 0.02 2 13 14 3 MET HG2 H 2.06 0.02 2 14 14 3 MET HG3 H 2.00 0.02 2 15 14 3 MET C C 176.24 0.15 1 16 14 3 MET CA C 55.49 0.15 1 17 14 3 MET CB C 32.54 0.15 1 18 14 3 MET CG C 32.05 0.15 1 19 14 3 MET N N 119.28 0.15 1 20 15 4 GLU H H 8.35 0.02 1 21 15 4 GLU HA H 4.27 0.02 1 22 15 4 GLU HB2 H 1.93 0.02 1 23 15 4 GLU HB3 H 1.93 0.02 1 24 15 4 GLU HG2 H 2.23 0.02 2 25 15 4 GLU HG3 H 2.17 0.02 2 26 15 4 GLU C C 176.13 0.15 1 27 15 4 GLU CA C 56.32 0.15 1 28 15 4 GLU CB C 29.55 0.15 1 29 15 4 GLU CG C 36.28 0.15 1 30 15 4 GLU N N 121.78 0.15 1 31 16 5 SER H H 8.20 0.02 1 32 16 5 SER HA H 4.36 0.02 1 33 16 5 SER HB2 H 3.73 0.02 1 34 16 5 SER HB3 H 3.73 0.02 1 35 16 5 SER C C 173.72 0.15 1 36 16 5 SER CA C 58.20 0.15 1 37 16 5 SER CB C 63.58 0.15 1 38 16 5 SER N N 116.94 0.15 1 39 17 6 HIS H H 8.51 0.02 1 40 17 6 HIS HA H 4.73 0.02 1 41 17 6 HIS HB2 H 2.81 0.02 1 42 17 6 HIS HB3 H 2.81 0.02 1 43 17 6 HIS CA C 53.56 0.15 1 44 17 6 HIS CB C 29.93 0.15 1 45 17 6 HIS N N 120.84 0.15 1 46 18 7 PRO HA H 4.24 0.02 1 47 18 7 PRO HB2 H 2.19 0.02 2 48 18 7 PRO HB3 H 1.65 0.02 2 49 18 7 PRO HG2 H 1.95 0.02 2 50 18 7 PRO HG3 H 1.81 0.02 2 51 18 7 PRO HD2 H 3.73 0.02 2 52 18 7 PRO HD3 H 3.48 0.02 2 53 18 7 PRO C C 179.62 0.15 1 54 18 7 PRO CA C 64.86 0.15 1 55 18 7 PRO CB C 32.02 0.15 1 56 18 7 PRO CG C 27.16 0.15 1 57 18 7 PRO CD C 50.70 0.15 1 58 19 8 HIS H H 10.75 0.02 1 59 19 8 HIS HA H 4.27 0.02 1 60 19 8 HIS HB2 H 3.24 0.02 2 61 19 8 HIS HB3 H 2.83 0.02 2 62 19 8 HIS HD2 H 7.00 0.02 3 63 19 8 HIS C C 177.61 0.15 1 64 19 8 HIS CA C 62.29 0.15 1 65 19 8 HIS CB C 27.30 0.15 1 66 19 8 HIS CD2 C 121.93 0.15 1 67 19 8 HIS N N 122.19 0.15 1 68 20 9 ILE H H 8.77 0.02 1 69 20 9 ILE HA H 3.67 0.02 1 70 20 9 ILE HB H 2.04 0.02 1 71 20 9 ILE HG12 H 0.94 0.02 1 72 20 9 ILE HG13 H 0.94 0.02 1 73 20 9 ILE HG2 H 0.73 0.02 1 74 20 9 ILE HD1 H 0.91 0.02 1 75 20 9 ILE C C 178.57 0.15 1 76 20 9 ILE CA C 66.02 0.15 1 77 20 9 ILE CB C 37.98 0.15 1 78 20 9 ILE CG1 C 28.75 0.15 2 79 20 9 ILE CG2 C 17.70 0.15 1 80 20 9 ILE CD1 C 13.93 0.15 1 81 20 9 ILE N N 122.00 0.15 1 82 21 10 GLN H H 7.96 0.02 1 83 21 10 GLN HA H 4.05 0.02 1 84 21 10 GLN HB2 H 2.15 0.02 1 85 21 10 GLN HB3 H 2.15 0.02 1 86 21 10 GLN HG2 H 2.49 0.02 2 87 21 10 GLN HG3 H 2.45 0.02 2 88 21 10 GLN HE21 H 7.55 0.02 2 89 21 10 GLN HE22 H 6.92 0.02 2 90 21 10 GLN C C 178.91 0.15 1 91 21 10 GLN CA C 58.39 0.15 1 92 21 10 GLN CB C 27.89 0.15 1 93 21 10 GLN CG C 33.70 0.15 1 94 21 10 GLN N N 116.53 0.15 1 95 21 10 GLN NE2 N 111.31 0.15 1 96 22 11 LEU H H 8.03 0.02 1 97 22 11 LEU HA H 4.12 0.02 1 98 22 11 LEU HB2 H 2.11 0.02 2 99 22 11 LEU HB3 H 1.56 0.02 2 100 22 11 LEU HG H 1.53 0.02 1 101 22 11 LEU HD1 H 0.88 0.02 2 102 22 11 LEU HD2 H 0.76 0.02 2 103 22 11 LEU C C 180.06 0.15 1 104 22 11 LEU CA C 58.13 0.15 1 105 22 11 LEU CB C 43.07 0.15 1 106 22 11 LEU CG C 24.19 0.15 1 107 22 11 LEU CD1 C 25.57 0.15 1 108 22 11 LEU CD2 C 18.97 0.15 1 109 22 11 LEU N N 121.10 0.15 1 110 23 12 LEU H H 7.76 0.02 1 111 23 12 LEU HA H 4.02 0.02 1 112 23 12 LEU HB2 H 2.07 0.02 2 113 23 12 LEU HB3 H 1.44 0.02 2 114 23 12 LEU HG H 2.10 0.02 1 115 23 12 LEU HD1 H 0.93 0.02 2 116 23 12 LEU HD2 H 0.91 0.02 2 117 23 12 LEU C C 179.41 0.15 1 118 23 12 LEU CA C 58.01 0.15 1 119 23 12 LEU CB C 41.14 0.15 1 120 23 12 LEU CG C 26.56 0.15 1 121 23 12 LEU CD1 C 23.46 0.15 1 122 23 12 LEU CD2 C 20.97 0.15 1 123 23 12 LEU N N 119.24 0.15 1 124 24 13 LYS H H 8.30 0.02 1 125 24 13 LYS HA H 4.07 0.02 1 126 24 13 LYS HB2 H 1.90 0.02 2 127 24 13 LYS HB3 H 1.86 0.02 2 128 24 13 LYS HG2 H 1.60 0.02 2 129 24 13 LYS HG3 H 1.58 0.02 2 130 24 13 LYS HD2 H 1.68 0.02 2 131 24 13 LYS HD3 H 1.66 0.02 2 132 24 13 LYS HE2 H 2.92 0.02 2 133 24 13 LYS HE3 H 2.88 0.02 2 134 24 13 LYS C C 180.26 0.15 1 135 24 13 LYS CA C 59.65 0.15 1 136 24 13 LYS CB C 33.00 0.15 1 137 24 13 LYS CG C 25.49 0.15 1 138 24 13 LYS CD C 29.77 0.15 1 139 24 13 LYS CE C 42.20 0.15 1 140 24 13 LYS N N 118.81 0.15 1 141 25 14 SER H H 8.60 0.02 1 142 25 14 SER HA H 4.37 0.02 1 143 25 14 SER HB2 H 4.04 0.02 1 144 25 14 SER HB3 H 4.04 0.02 1 145 25 14 SER C C 174.92 0.15 1 146 25 14 SER CA C 60.65 0.15 1 147 25 14 SER CB C 63.62 0.15 1 148 25 14 SER N N 112.82 0.15 1 149 26 15 ASN H H 7.39 0.02 1 150 26 15 ASN HA H 5.18 0.02 1 151 26 15 ASN HB2 H 2.58 0.02 2 152 26 15 ASN HB3 H 2.54 0.02 2 153 26 15 ASN HD21 H 6.88 0.02 2 154 26 15 ASN HD22 H 7.58 0.02 2 155 26 15 ASN C C 173.64 0.15 1 156 26 15 ASN CA C 52.92 0.15 1 157 26 15 ASN CB C 39.80 0.15 1 158 26 15 ASN N N 117.11 0.15 1 159 26 15 ASN ND2 N 112.10 0.15 1 160 27 16 ARG H H 7.01 0.02 1 161 27 16 ARG HA H 3.71 0.02 1 162 27 16 ARG HB2 H 2.05 0.02 2 163 27 16 ARG HB3 H 1.78 0.02 2 164 27 16 ARG HG2 H 1.59 0.02 2 165 27 16 ARG HG3 H 1.46 0.02 2 166 27 16 ARG HD2 H 3.30 0.02 2 167 27 16 ARG HD3 H 3.21 0.02 2 168 27 16 ARG C C 176.63 0.15 1 169 27 16 ARG CA C 60.56 0.15 1 170 27 16 ARG CB C 31.26 0.15 1 171 27 16 ARG CG C 27.75 0.15 1 172 27 16 ARG CD C 43.93 0.15 1 173 27 16 ARG N N 120.45 0.15 1 174 28 17 GLU H H 8.48 0.02 1 175 28 17 GLU HA H 3.95 0.02 1 176 28 17 GLU HB2 H 2.02 0.02 2 177 28 17 GLU HB3 H 1.88 0.02 2 178 28 17 GLU HG2 H 2.32 0.02 2 179 28 17 GLU HG3 H 2.25 0.02 2 180 28 17 GLU C C 179.01 0.15 1 181 28 17 GLU CA C 58.94 0.15 1 182 28 17 GLU CB C 28.18 0.15 1 183 28 17 GLU CG C 36.38 0.15 1 184 28 17 GLU N N 114.59 0.15 1 185 29 18 LEU H H 7.57 0.02 1 186 29 18 LEU HA H 3.96 0.02 1 187 29 18 LEU HB2 H 1.53 0.02 2 188 29 18 LEU HB3 H 1.49 0.02 2 189 29 18 LEU HG H 1.17 0.02 1 190 29 18 LEU HD1 H 0.67 0.02 2 191 29 18 LEU HD2 H 0.13 0.02 2 192 29 18 LEU C C 178.54 0.15 1 193 29 18 LEU CA C 57.91 0.15 1 194 29 18 LEU CB C 41.82 0.15 1 195 29 18 LEU CG C 27.04 0.15 1 196 29 18 LEU CD1 C 24.21 0.15 1 197 29 18 LEU CD2 C 24.35 0.15 1 198 29 18 LEU N N 123.03 0.15 1 199 30 19 LEU H H 7.59 0.02 1 200 30 19 LEU HA H 3.77 0.02 1 201 30 19 LEU HB2 H 1.93 0.02 2 202 30 19 LEU HB3 H 1.22 0.02 2 203 30 19 LEU HG H 1.47 0.02 1 204 30 19 LEU HD1 H 0.53 0.02 2 205 30 19 LEU HD2 H 0.80 0.02 2 206 30 19 LEU C C 178.12 0.15 1 207 30 19 LEU CA C 58.14 0.15 1 208 30 19 LEU CB C 41.01 0.15 1 209 30 19 LEU CG C 26.68 0.15 1 210 30 19 LEU CD1 C 23.62 0.15 1 211 30 19 LEU CD2 C 21.77 0.15 1 212 30 19 LEU N N 118.81 0.15 1 213 31 20 VAL H H 8.38 0.02 1 214 31 20 VAL HA H 3.47 0.02 1 215 31 20 VAL HB H 2.11 0.02 1 216 31 20 VAL HG1 H 0.95 0.02 2 217 31 20 VAL HG2 H 0.93 0.02 2 218 31 20 VAL C C 176.87 0.15 1 219 31 20 VAL CA C 65.86 0.15 1 220 31 20 VAL CB C 31.66 0.15 1 221 31 20 VAL CG1 C 23.77 0.15 1 222 31 20 VAL CG2 C 21.55 0.15 1 223 31 20 VAL N N 117.87 0.15 1 224 32 21 THR H H 7.61 0.02 1 225 32 21 THR HA H 3.90 0.02 1 226 32 21 THR HB H 3.99 0.02 1 227 32 21 THR HG2 H 0.80 0.02 1 228 32 21 THR C C 175.84 0.15 1 229 32 21 THR CA C 65.15 0.15 1 230 32 21 THR CB C 69.44 0.15 1 231 32 21 THR CG2 C 20.81 0.15 1 232 32 21 THR N N 110.90 0.15 1 233 33 22 HIS H H 7.45 0.02 1 234 33 22 HIS HA H 4.85 0.02 1 235 33 22 HIS HB2 H 2.74 0.02 1 236 33 22 HIS HB3 H 2.74 0.02 1 237 33 22 HIS HD2 H 7.22 0.02 3 238 33 22 HIS C C 175.68 0.15 1 239 33 22 HIS CA C 57.69 0.15 1 240 33 22 HIS CB C 31.95 0.15 1 241 33 22 HIS CD2 C 119.76 0.15 1 242 33 22 HIS N N 115.32 0.15 1 243 34 23 ILE H H 7.95 0.02 1 244 34 23 ILE HA H 4.43 0.02 1 245 34 23 ILE HB H 3.87 0.02 1 246 34 23 ILE C C 174.33 0.15 1 247 34 23 ILE CA C 62.67 0.15 1 248 34 23 ILE CB C 36.52 0.15 1 249 34 23 ILE CG1 C 27.84 0.15 2 250 34 23 ILE CG2 C 17.41 0.15 1 251 34 23 ILE CD1 C 18.45 0.15 1 252 34 23 ILE N N 121.10 0.15 1 253 35 24 ARG H H 8.22 0.02 1 254 35 24 ARG HA H 4.29 0.02 1 255 35 24 ARG HB2 H 1.71 0.02 2 256 35 24 ARG HB3 H 1.65 0.02 2 257 35 24 ARG HG2 H 1.48 0.02 1 258 35 24 ARG HG3 H 1.48 0.02 1 259 35 24 ARG HD2 H 3.11 0.02 1 260 35 24 ARG HD3 H 3.11 0.02 1 261 35 24 ARG C C 175.71 0.15 1 262 35 24 ARG CA C 55.82 0.15 1 263 35 24 ARG CB C 30.77 0.15 1 264 35 24 ARG CG C 26.92 0.15 1 265 35 24 ARG CD C 43.21 0.15 1 266 35 24 ARG N N 124.96 0.15 1 267 36 25 ASN H H 8.18 0.02 1 268 36 25 ASN HA H 4.70 0.02 1 269 36 25 ASN HB2 H 3.00 0.02 2 270 36 25 ASN HB3 H 2.96 0.02 2 271 36 25 ASN C C 175.51 0.15 1 272 36 25 ASN CA C 57.43 0.15 1 273 36 25 ASN CB C 38.55 0.15 1 274 36 25 ASN N N 120.88 0.15 1 275 37 26 THR H H 7.98 0.02 1 276 37 26 THR HA H 4.08 0.02 1 277 37 26 THR CA C 61.32 0.15 1 278 37 26 THR CB C 70.01 0.15 1 279 37 26 THR N N 115.84 0.15 1 280 38 27 GLN H H 7.80 0.02 1 281 38 27 GLN HA H 3.89 0.02 1 282 38 27 GLN HB2 H 2.32 0.02 2 283 38 27 GLN HB3 H 2.28 0.02 2 284 38 27 GLN HG2 H 2.47 0.02 2 285 38 27 GLN CA C 59.39 0.15 1 286 38 27 GLN CB C 27.99 0.15 1 287 38 27 GLN CG C 33.22 0.15 1 288 39 28 CYS H H 8.57 0.02 1 289 39 28 CYS HA H 4.34 0.02 1 290 39 28 CYS HB2 H 3.04 0.02 2 291 39 28 CYS HB3 H 2.88 0.02 2 292 39 28 CYS C C 177.83 0.15 1 293 39 28 CYS CA C 60.58 0.15 1 294 39 28 CYS CB C 26.69 0.15 1 295 39 28 CYS N N 115.93 0.15 1 296 40 29 LEU H H 7.16 0.02 1 297 40 29 LEU HA H 4.08 0.02 1 298 40 29 LEU HB2 H 2.13 0.02 2 299 40 29 LEU HB3 H 1.35 0.02 2 300 40 29 LEU HG H 1.88 0.02 1 301 40 29 LEU HD1 H 0.92 0.02 2 302 40 29 LEU HD2 H 0.61 0.02 2 303 40 29 LEU C C 177.80 0.15 1 304 40 29 LEU CA C 57.62 0.15 1 305 40 29 LEU CB C 41.63 0.15 1 306 40 29 LEU CG C 25.92 0.15 1 307 40 29 LEU CD1 C 23.15 0.15 1 308 40 29 LEU CD2 C 22.76 0.15 1 309 40 29 LEU N N 119.91 0.15 1 310 41 30 VAL H H 7.95 0.02 1 311 41 30 VAL HA H 3.25 0.02 1 312 41 30 VAL HB H 2.24 0.02 1 313 41 30 VAL HG1 H 1.11 0.02 2 314 41 30 VAL HG2 H 1.10 0.02 2 315 41 30 VAL C C 177.56 0.15 1 316 41 30 VAL CA C 67.31 0.15 1 317 41 30 VAL CB C 31.55 0.15 1 318 41 30 VAL CG1 C 23.38 0.15 1 319 41 30 VAL CG2 C 21.52 0.15 1 320 41 30 VAL N N 119.25 0.15 1 321 42 31 ASP H H 8.88 0.02 1 322 42 31 ASP HA H 4.45 0.02 1 323 42 31 ASP HB2 H 2.76 0.02 2 324 42 31 ASP HB3 H 2.63 0.02 2 325 42 31 ASP C C 179.46 0.15 1 326 42 31 ASP CA C 57.82 0.15 1 327 42 31 ASP CB C 40.42 0.15 1 328 42 31 ASP N N 118.50 0.15 1 329 43 32 ASN H H 7.61 0.02 1 330 43 32 ASN HA H 4.56 0.02 1 331 43 32 ASN HB2 H 2.94 0.02 2 332 43 32 ASN HB3 H 2.60 0.02 2 333 43 32 ASN HD21 H 8.07 0.02 2 334 43 32 ASN HD22 H 7.85 0.02 2 335 43 32 ASN C C 178.04 0.15 1 336 43 32 ASN CA C 57.04 0.15 1 337 43 32 ASN CB C 41.40 0.15 1 338 43 32 ASN N N 116.78 0.15 1 339 43 32 ASN ND2 N 115.40 0.15 1 340 44 33 LEU H H 8.54 0.02 1 341 44 33 LEU HA H 4.19 0.02 1 342 44 33 LEU HB2 H 1.48 0.02 2 343 44 33 LEU HB3 H 0.72 0.02 2 344 44 33 LEU HG H 1.66 0.02 1 345 44 33 LEU HD1 H 0.00 0.02 2 346 44 33 LEU HD2 H 0.85 0.02 2 347 44 33 LEU C C 179.46 0.15 1 348 44 33 LEU CA C 59.12 0.15 1 349 44 33 LEU CB C 41.20 0.15 1 350 44 33 LEU CG C 27.27 0.15 1 351 44 33 LEU CD1 C 24.20 0.15 1 352 44 33 LEU CD2 C 23.69 0.15 1 353 44 33 LEU N N 123.64 0.15 1 354 45 34 LEU H H 8.93 0.02 1 355 45 34 LEU HA H 4.56 0.02 1 356 45 34 LEU HB2 H 2.00 0.02 2 357 45 34 LEU HB3 H 1.67 0.02 2 358 45 34 LEU HG H 1.68 0.02 1 359 45 34 LEU HD1 H 0.88 0.02 2 360 45 34 LEU HD2 H 0.90 0.02 2 361 45 34 LEU C C 181.05 0.15 1 362 45 34 LEU CA C 57.69 0.15 1 363 45 34 LEU CB C 43.06 0.15 1 364 45 34 LEU CG C 27.10 0.15 1 365 45 34 LEU CD1 C 27.30 0.15 1 366 45 34 LEU CD2 C 25.73 0.15 1 367 45 34 LEU N N 122.79 0.15 1 368 46 35 LYS H H 8.24 0.02 1 369 46 35 LYS HA H 4.12 0.02 1 370 46 35 LYS HB2 H 2.02 0.02 2 371 46 35 LYS HB3 H 1.96 0.02 2 372 46 35 LYS HG2 H 1.67 0.02 2 373 46 35 LYS HG3 H 1.54 0.02 2 374 46 35 LYS HD2 H 1.67 0.02 2 375 46 35 LYS HD3 H 1.65 0.02 2 376 46 35 LYS HE2 H 2.98 0.02 1 377 46 35 LYS HE3 H 2.98 0.02 1 378 46 35 LYS C C 176.90 0.15 1 379 46 35 LYS CA C 59.20 0.15 1 380 46 35 LYS CB C 32.41 0.15 1 381 46 35 LYS CG C 25.13 0.15 1 382 46 35 LYS CD C 28.82 0.15 1 383 46 35 LYS CE C 42.00 0.15 1 384 46 35 LYS N N 119.67 0.15 1 385 47 36 ASN H H 7.02 0.02 1 386 47 36 ASN HA H 4.55 0.02 1 387 47 36 ASN HB2 H 2.34 0.02 2 388 47 36 ASN HB3 H 2.15 0.02 2 389 47 36 ASN HD21 H 7.70 0.02 1 390 47 36 ASN HD22 H 7.70 0.02 1 391 47 36 ASN C C 171.71 0.15 1 392 47 36 ASN CA C 53.44 0.15 1 393 47 36 ASN CB C 40.62 0.15 1 394 47 36 ASN N N 113.19 0.15 1 395 47 36 ASN ND2 N 117.17 0.15 1 396 48 37 ASP H H 7.99 0.02 1 397 48 37 ASP HA H 4.34 0.02 1 398 48 37 ASP HB2 H 2.88 0.02 2 399 48 37 ASP HB3 H 2.54 0.02 2 400 48 37 ASP C C 174.94 0.15 1 401 48 37 ASP CA C 56.10 0.15 1 402 48 37 ASP CB C 38.92 0.15 1 403 48 37 ASP N N 113.61 0.15 1 404 49 38 TYR H H 7.87 0.02 1 405 49 38 TYR HA H 4.82 0.02 1 406 49 38 TYR HB2 H 3.14 0.02 2 407 49 38 TYR HB3 H 2.76 0.02 2 408 49 38 TYR HD1 H 6.76 0.02 1 409 49 38 TYR HD2 H 6.76 0.02 1 410 49 38 TYR HE1 H 6.09 0.02 1 411 49 38 TYR HE2 H 6.09 0.02 1 412 49 38 TYR C C 176.35 0.15 1 413 49 38 TYR CA C 57.53 0.15 1 414 49 38 TYR CB C 39.48 0.15 1 415 49 38 TYR CD1 C 132.03 0.15 1 416 49 38 TYR CD2 C 132.03 0.15 1 417 49 38 TYR CE1 C 117.88 0.15 1 418 49 38 TYR CE2 C 117.88 0.15 1 419 49 38 TYR N N 115.75 0.15 1 420 50 39 PHE H H 7.39 0.02 1 421 50 39 PHE HA H 5.44 0.02 1 422 50 39 PHE HB2 H 3.33 0.02 2 423 50 39 PHE HB3 H 2.80 0.02 2 424 50 39 PHE HD1 H 7.14 0.02 1 425 50 39 PHE HD2 H 7.14 0.02 1 426 50 39 PHE HE1 H 7.27 0.02 1 427 50 39 PHE HE2 H 7.27 0.02 1 428 50 39 PHE C C 174.87 0.15 1 429 50 39 PHE CA C 52.87 0.15 1 430 50 39 PHE CB C 41.48 0.15 1 431 50 39 PHE CD1 C 132.27 0.15 1 432 50 39 PHE CD2 C 132.27 0.15 1 433 50 39 PHE CE1 C 131.31 0.15 1 434 50 39 PHE CE2 C 131.31 0.15 1 435 50 39 PHE N N 117.53 0.15 1 436 51 40 SER H H 9.59 0.02 1 437 51 40 SER HA H 4.42 0.02 1 438 51 40 SER HB2 H 3.97 0.02 1 439 51 40 SER HB3 H 3.97 0.02 1 440 51 40 SER HG H 4.75 0.02 1 441 51 40 SER C C 175.40 0.15 1 442 51 40 SER CA C 55.67 0.15 1 443 51 40 SER CB C 66.63 0.15 1 444 51 40 SER N N 117.32 0.15 1 445 52 41 ALA H H 8.99 0.02 1 446 52 41 ALA HA H 4.05 0.02 1 447 52 41 ALA HB H 1.46 0.02 1 448 52 41 ALA C C 180.42 0.15 1 449 52 41 ALA CA C 55.12 0.15 1 450 52 41 ALA CB C 17.66 0.15 1 451 52 41 ALA N N 123.07 0.15 1 452 53 42 GLU H H 8.34 0.02 1 453 53 42 GLU HA H 3.99 0.02 1 454 53 42 GLU HB2 H 2.00 0.02 2 455 53 42 GLU HB3 H 1.89 0.02 2 456 53 42 GLU HG2 H 2.27 0.02 2 457 53 42 GLU HG3 H 2.22 0.02 2 458 53 42 GLU C C 178.56 0.15 1 459 53 42 GLU CA C 59.75 0.15 1 460 53 42 GLU CB C 29.00 0.15 1 461 53 42 GLU CG C 36.96 0.15 1 462 53 42 GLU N N 118.24 0.15 1 463 54 43 ASP H H 7.56 0.02 1 464 54 43 ASP HA H 4.04 0.02 1 465 54 43 ASP HB2 H 2.68 0.02 1 466 54 43 ASP HB3 H 2.68 0.02 1 467 54 43 ASP C C 177.59 0.15 1 468 54 43 ASP CA C 57.06 0.15 1 469 54 43 ASP CB C 40.28 0.15 1 470 54 43 ASP N N 120.95 0.15 1 471 55 44 ALA H H 7.78 0.02 1 472 55 44 ALA HA H 3.99 0.02 1 473 55 44 ALA HB H 1.61 0.02 1 474 55 44 ALA C C 177.09 0.15 1 475 55 44 ALA CA C 55.18 0.15 1 476 55 44 ALA CB C 18.39 0.15 1 477 55 44 ALA N N 118.74 0.15 1 478 56 45 GLU H H 8.11 0.02 1 479 56 45 GLU HA H 4.00 0.02 1 480 56 45 GLU HB2 H 2.10 0.02 2 481 56 45 GLU HB3 H 2.20 0.02 2 482 56 45 GLU HG2 H 2.36 0.02 2 483 56 45 GLU HG3 H 2.29 0.02 2 484 56 45 GLU C C 179.30 0.15 1 485 56 45 GLU CA C 59.20 0.15 1 486 56 45 GLU CB C 29.26 0.15 1 487 56 45 GLU CG C 36.09 0.15 1 488 56 45 GLU N N 119.81 0.15 1 489 57 46 ILE H H 7.89 0.02 1 490 57 46 ILE HA H 3.81 0.02 1 491 57 46 ILE HB H 2.07 0.02 1 492 57 46 ILE HG12 H 1.69 0.02 1 493 57 46 ILE HG13 H 1.17 0.02 1 494 57 46 ILE HG2 H 0.90 0.02 1 495 57 46 ILE HD1 H 0.82 0.02 1 496 57 46 ILE C C 179.04 0.15 1 497 57 46 ILE CA C 64.25 0.15 1 498 57 46 ILE CB C 37.38 0.15 1 499 57 46 ILE CG1 C 29.05 0.15 2 500 57 46 ILE CG2 C 17.39 0.15 1 501 57 46 ILE CD1 C 13.16 0.15 1 502 57 46 ILE N N 120.95 0.15 1 503 58 47 VAL H H 7.60 0.02 1 504 58 47 VAL HA H 3.69 0.02 1 505 58 47 VAL HB H 2.31 0.02 1 506 58 47 VAL HG1 H 1.05 0.02 2 507 58 47 VAL HG2 H 1.00 0.02 2 508 58 47 VAL C C 178.54 0.15 1 509 58 47 VAL CA C 66.76 0.15 1 510 58 47 VAL CB C 31.66 0.15 1 511 58 47 VAL CG1 C 23.62 0.15 1 512 58 47 VAL CG2 C 21.67 0.15 1 513 58 47 VAL N N 120.06 0.15 1 514 59 48 CYS H H 8.39 0.02 1 515 59 48 CYS HA H 4.05 0.02 1 516 59 48 CYS HB2 H 3.08 0.02 1 517 59 48 CYS HB3 H 3.08 0.02 1 518 59 48 CYS CA C 62.55 0.15 1 519 59 48 CYS CB C 26.61 0.15 1 520 59 48 CYS N N 117.75 0.15 1 521 60 49 ALA H H 7.43 0.02 1 522 60 49 ALA HA H 4.23 0.02 1 523 60 49 ALA HB H 1.51 0.02 1 524 60 49 ALA C C 178.56 0.15 1 525 60 49 ALA CA C 52.63 0.15 1 526 60 49 ALA CB C 18.68 0.15 1 527 60 49 ALA N N 118.31 0.15 1 528 61 50 CYS H H 7.56 0.02 1 529 61 50 CYS HA H 4.69 0.02 1 530 61 50 CYS CA C 58.18 0.15 1 531 61 50 CYS CB C 27.16 0.15 1 532 61 50 CYS N N 120.24 0.15 1 533 62 51 PRO HA H 4.46 0.02 1 534 62 51 PRO HB2 H 2.13 0.02 2 535 62 51 PRO HB3 H 2.39 0.02 2 536 62 51 PRO HG2 H 2.14 0.02 1 537 62 51 PRO HG3 H 2.14 0.02 1 538 62 51 PRO HD2 H 4.00 0.02 2 539 62 51 PRO HD3 H 3.86 0.02 2 540 62 51 PRO C C 177.32 0.15 1 541 62 51 PRO CA C 65.34 0.15 1 542 62 51 PRO CB C 32.98 0.15 1 543 62 51 PRO CG C 27.51 0.15 1 544 62 51 PRO CD C 51.18 0.15 1 545 63 52 THR H H 7.27 0.02 1 546 63 52 THR HA H 4.95 0.02 1 547 63 52 THR HB H 4.48 0.02 1 548 63 52 THR HG2 H 1.27 0.02 1 549 63 52 THR C C 174.44 0.15 1 550 63 52 THR CA C 58.98 0.15 1 551 63 52 THR CB C 72.53 0.15 1 552 63 52 THR CG2 C 21.36 0.15 1 553 63 52 THR N N 106.00 0.15 1 554 64 53 GLN H H 9.36 0.02 1 555 64 53 GLN HA H 4.74 0.02 1 556 64 53 GLN CA C 60.41 0.15 1 557 64 53 GLN CB C 25.70 0.15 1 558 64 53 GLN N N 120.66 0.15 1 559 65 54 PRO HA H 4.32 0.02 1 560 65 54 PRO HB2 H 2.02 0.02 2 561 65 54 PRO HB3 H 1.72 0.02 2 562 65 54 PRO HG2 H 2.07 0.02 2 563 65 54 PRO HG3 H 1.96 0.02 2 564 65 54 PRO HD2 H 3.79 0.02 1 565 65 54 PRO HD3 H 3.79 0.02 1 566 65 54 PRO C C 178.69 0.15 1 567 65 54 PRO CA C 66.22 0.15 1 568 65 54 PRO CB C 31.12 0.15 1 569 65 54 PRO CG C 28.44 0.15 1 570 65 54 PRO CD C 49.73 0.15 1 571 66 55 ASP H H 7.13 0.02 1 572 66 55 ASP HA H 4.44 0.02 1 573 66 55 ASP HB2 H 2.81 0.02 2 574 66 55 ASP HB3 H 2.70 0.02 2 575 66 55 ASP C C 179.13 0.15 1 576 66 55 ASP CA C 57.38 0.15 1 577 66 55 ASP CB C 41.34 0.15 1 578 66 55 ASP N N 114.04 0.15 1 579 67 56 LYS H H 8.26 0.02 1 580 67 56 LYS HA H 4.13 0.02 1 581 67 56 LYS HB2 H 2.34 0.02 2 582 67 56 LYS HB3 H 1.65 0.02 2 583 67 56 LYS HG2 H 1.56 0.02 2 584 67 56 LYS HG3 H 0.88 0.02 2 585 67 56 LYS HD2 H 1.66 0.02 1 586 67 56 LYS HD3 H 1.66 0.02 1 587 67 56 LYS HE2 H 3.04 0.02 2 588 67 56 LYS HE3 H 2.87 0.02 2 589 67 56 LYS C C 178.38 0.15 1 590 67 56 LYS CA C 60.65 0.15 1 591 67 56 LYS CB C 33.65 0.15 1 592 67 56 LYS CG C 25.15 0.15 1 593 67 56 LYS CD C 29.00 0.15 1 594 67 56 LYS CE C 43.09 0.15 1 595 67 56 LYS N N 121.79 0.15 1 596 68 57 VAL H H 8.46 0.02 1 597 68 57 VAL HA H 3.40 0.02 1 598 68 57 VAL HB H 2.19 0.02 1 599 68 57 VAL HG1 H 1.08 0.02 2 600 68 57 VAL HG2 H 0.82 0.02 2 601 68 57 VAL C C 177.70 0.15 1 602 68 57 VAL CA C 67.40 0.15 1 603 68 57 VAL CB C 31.28 0.15 1 604 68 57 VAL CG1 C 23.53 0.15 1 605 68 57 VAL CG2 C 22.50 0.15 1 606 68 57 VAL N N 118.17 0.15 1 607 69 58 ARG H H 8.21 0.02 1 608 69 58 ARG HA H 3.55 0.02 1 609 69 58 ARG HB2 H 1.90 0.02 2 610 69 58 ARG HB3 H 1.86 0.02 2 611 69 58 ARG HG2 H 1.36 0.02 1 612 69 58 ARG HG3 H 1.36 0.02 1 613 69 58 ARG HD2 H 3.26 0.02 2 614 69 58 ARG HD3 H 3.16 0.02 2 615 69 58 ARG C C 177.22 0.15 1 616 69 58 ARG CA C 60.87 0.15 1 617 69 58 ARG CB C 30.40 0.15 1 618 69 58 ARG CG C 26.44 0.15 1 619 69 58 ARG CD C 43.25 0.15 1 620 69 58 ARG N N 117.72 0.15 1 621 70 59 LYS H H 7.86 0.02 1 622 70 59 LYS HA H 4.16 0.02 1 623 70 59 LYS HB2 H 2.11 0.02 2 624 70 59 LYS HB3 H 2.04 0.02 2 625 70 59 LYS HG2 H 1.42 0.02 2 626 70 59 LYS HG3 H 1.31 0.02 2 627 70 59 LYS HD2 H 1.64 0.02 2 628 70 59 LYS HD3 H 1.80 0.02 2 629 70 59 LYS HE2 H 2.93 0.02 1 630 70 59 LYS HE3 H 2.93 0.02 1 631 70 59 LYS C C 178.49 0.15 1 632 70 59 LYS CA C 56.85 0.15 1 633 70 59 LYS CB C 30.72 0.15 1 634 70 59 LYS CG C 24.42 0.15 1 635 70 59 LYS CD C 26.56 0.15 1 636 70 59 LYS CE C 42.00 0.15 1 637 70 59 LYS N N 117.25 0.15 1 638 71 60 ILE H H 8.71 0.02 1 639 71 60 ILE HA H 3.62 0.02 1 640 71 60 ILE HB H 2.04 0.02 1 641 71 60 ILE HG12 H 1.66 0.02 1 642 71 60 ILE HG13 H 1.66 0.02 1 643 71 60 ILE HG2 H 0.74 0.02 1 644 71 60 ILE HD1 H 0.87 0.02 1 645 71 60 ILE C C 177.27 0.15 1 646 71 60 ILE CA C 66.41 0.15 1 647 71 60 ILE CB C 38.17 0.15 1 648 71 60 ILE CG1 C 26.62 0.15 2 649 71 60 ILE CG2 C 17.63 0.15 1 650 71 60 ILE CD1 C 14.50 0.15 1 651 71 60 ILE N N 119.44 0.15 1 652 72 61 LEU H H 8.48 0.02 1 653 72 61 LEU HA H 3.54 0.02 1 654 72 61 LEU HB2 H 1.86 0.02 2 655 72 61 LEU HB3 H 1.29 0.02 2 656 72 61 LEU HG H 0.73 0.02 1 657 72 61 LEU HD1 H 0.82 0.02 2 658 72 61 LEU HD2 H 0.63 0.02 2 659 72 61 LEU C C 178.62 0.15 1 660 72 61 LEU CA C 57.74 0.15 1 661 72 61 LEU CB C 40.58 0.15 1 662 72 61 LEU CG C 26.80 0.15 1 663 72 61 LEU CD1 C 27.18 0.15 1 664 72 61 LEU CD2 C 23.69 0.15 1 665 72 61 LEU N N 118.44 0.15 1 666 73 62 ASP H H 8.30 0.02 1 667 73 62 ASP HA H 4.23 0.02 1 668 73 62 ASP HB2 H 2.90 0.02 2 669 73 62 ASP HB3 H 2.66 0.02 2 670 73 62 ASP C C 179.92 0.15 1 671 73 62 ASP CA C 57.35 0.15 1 672 73 62 ASP CB C 39.92 0.15 1 673 73 62 ASP N N 120.06 0.15 1 674 74 63 LEU H H 8.55 0.02 1 675 74 63 LEU HA H 4.00 0.02 1 676 74 63 LEU HB2 H 2.08 0.02 2 677 74 63 LEU HB3 H 0.87 0.02 2 678 74 63 LEU HG H 1.68 0.02 1 679 74 63 LEU HD1 H 0.45 0.02 2 680 74 63 LEU HD2 H 0.65 0.02 2 681 74 63 LEU C C 180.10 0.15 1 682 74 63 LEU CA C 57.58 0.15 1 683 74 63 LEU CB C 43.04 0.15 1 684 74 63 LEU CG C 26.45 0.15 1 685 74 63 LEU CD1 C 26.13 0.15 1 686 74 63 LEU CD2 C 22.47 0.15 1 687 74 63 LEU N N 121.67 0.15 1 688 75 64 VAL H H 9.07 0.02 1 689 75 64 VAL HA H 3.46 0.02 1 690 75 64 VAL HB H 1.87 0.02 1 691 75 64 VAL HG1 H 0.68 0.02 2 692 75 64 VAL HG2 H 0.69 0.02 2 693 75 64 VAL C C 177.37 0.15 1 694 75 64 VAL CA C 67.21 0.15 1 695 75 64 VAL CB C 31.56 0.15 1 696 75 64 VAL CG1 C 22.99 0.15 1 697 75 64 VAL CG2 C 22.06 0.15 1 698 75 64 VAL N N 119.95 0.15 1 699 76 65 GLN H H 8.30 0.02 1 700 76 65 GLN HA H 3.83 0.02 1 701 76 65 GLN HB2 H 2.09 0.02 2 702 76 65 GLN HB3 H 2.02 0.02 2 703 76 65 GLN HG2 H 2.46 0.02 2 704 76 65 GLN HG3 H 2.27 0.02 2 705 76 65 GLN C C 179.17 0.15 1 706 76 65 GLN CA C 58.69 0.15 1 707 76 65 GLN CB C 28.69 0.15 1 708 76 65 GLN CG C 35.24 0.15 1 709 76 65 GLN N N 115.61 0.15 1 710 77 66 SER H H 7.74 0.02 1 711 77 66 SER HA H 4.25 0.02 1 712 77 66 SER HB2 H 4.04 0.02 1 713 77 66 SER HB3 H 4.04 0.02 1 714 77 66 SER C C 175.73 0.15 1 715 77 66 SER CA C 60.73 0.15 1 716 77 66 SER CB C 63.08 0.15 1 717 77 66 SER N N 113.64 0.15 1 718 78 67 LYS H H 7.82 0.02 1 719 78 67 LYS HA H 4.27 0.02 1 720 78 67 LYS HB2 H 2.18 0.02 2 721 78 67 LYS HB3 H 1.88 0.02 2 722 78 67 LYS HG2 H 1.47 0.02 1 723 78 67 LYS HG3 H 1.47 0.02 1 724 78 67 LYS HD2 H 1.94 0.02 1 725 78 67 LYS HD3 H 1.94 0.02 1 726 78 67 LYS HE2 H 3.10 0.02 1 727 78 67 LYS HE3 H 3.10 0.02 1 728 78 67 LYS C C 178.19 0.15 1 729 78 67 LYS CA C 57.24 0.15 1 730 78 67 LYS CB C 33.07 0.15 1 731 78 67 LYS CG C 26.44 0.15 1 732 78 67 LYS CD C 29.77 0.15 1 733 78 67 LYS CE C 42.50 0.15 1 734 78 67 LYS N N 121.78 0.15 1 735 79 68 GLY H H 7.54 0.02 1 736 79 68 GLY HA2 H 4.71 0.02 2 737 79 68 GLY HA3 H 3.78 0.02 2 738 79 68 GLY C C 174.66 0.15 1 739 79 68 GLY CA C 44.56 0.15 1 740 79 68 GLY N N 106.16 0.15 1 741 80 69 GLU H H 8.97 0.02 1 742 80 69 GLU HA H 4.34 0.02 1 743 80 69 GLU HB2 H 2.10 0.02 2 744 80 69 GLU HB3 H 1.96 0.02 2 745 80 69 GLU HG2 H 2.65 0.02 2 746 80 69 GLU HG3 H 2.46 0.02 2 747 80 69 GLU C C 177.83 0.15 1 748 80 69 GLU CA C 59.06 0.15 1 749 80 69 GLU CB C 30.30 0.15 1 750 80 69 GLU CG C 34.90 0.15 1 751 80 69 GLU N N 123.80 0.15 1 752 81 70 GLU H H 8.69 0.02 1 753 81 70 GLU HA H 4.15 0.02 1 754 81 70 GLU HB2 H 2.40 0.02 2 755 81 70 GLU HB3 H 2.24 0.02 2 756 81 70 GLU HG2 H 1.99 0.02 1 757 81 70 GLU HG3 H 1.99 0.02 1 758 81 70 GLU C C 179.34 0.15 1 759 81 70 GLU CA C 59.39 0.15 1 760 81 70 GLU CB C 28.85 0.15 1 761 81 70 GLU CG C 36.14 0.15 1 762 81 70 GLU N N 120.14 0.15 1 763 82 71 VAL H H 7.38 0.02 1 764 82 71 VAL HA H 3.22 0.02 1 765 82 71 VAL HB H 1.93 0.02 1 766 82 71 VAL HG1 H 0.79 0.02 2 767 82 71 VAL HG2 H 0.89 0.02 2 768 82 71 VAL C C 178.12 0.15 1 769 82 71 VAL CA C 65.51 0.15 1 770 82 71 VAL CB C 30.15 0.15 1 771 82 71 VAL CG1 C 23.43 0.15 1 772 82 71 VAL CG2 C 21.98 0.15 1 773 82 71 VAL N N 118.85 0.15 1 774 83 72 SER H H 8.08 0.02 1 775 83 72 SER HA H 3.98 0.02 1 776 83 72 SER HB2 H 3.43 0.02 1 777 83 72 SER HB3 H 3.43 0.02 1 778 83 72 SER C C 174.99 0.15 1 779 83 72 SER CA C 63.45 0.15 1 780 83 72 SER CB C 62.59 0.15 1 781 83 72 SER N N 117.87 0.15 1 782 84 73 GLU H H 8.41 0.02 1 783 84 73 GLU HA H 3.57 0.02 1 784 84 73 GLU HB2 H 1.99 0.02 2 785 84 73 GLU HB3 H 1.53 0.02 2 786 84 73 GLU HG2 H 2.34 0.02 2 787 84 73 GLU HG3 H 2.10 0.02 2 788 84 73 GLU C C 177.94 0.15 1 789 84 73 GLU CA C 60.46 0.15 1 790 84 73 GLU CB C 29.10 0.15 1 791 84 73 GLU CG C 33.79 0.15 1 792 84 73 GLU N N 122.17 0.15 1 793 85 74 PHE H H 7.97 0.02 1 794 85 74 PHE HA H 4.24 0.02 1 795 85 74 PHE HB2 H 3.19 0.02 2 796 85 74 PHE HB3 H 2.90 0.02 2 797 85 74 PHE HD1 H 7.12 0.02 1 798 85 74 PHE HD2 H 7.12 0.02 1 799 85 74 PHE HE1 H 6.97 0.02 1 800 85 74 PHE HE2 H 6.97 0.02 1 801 85 74 PHE C C 176.64 0.15 1 802 85 74 PHE CA C 61.16 0.15 1 803 85 74 PHE CB C 38.56 0.15 1 804 85 74 PHE CD1 C 129.76 0.15 1 805 85 74 PHE CD2 C 129.76 0.15 1 806 85 74 PHE CE1 C 130.79 0.15 1 807 85 74 PHE CE2 C 130.79 0.15 1 808 85 74 PHE N N 118.67 0.15 1 809 86 75 PHE H H 8.86 0.02 1 810 86 75 PHE HA H 3.77 0.02 1 811 86 75 PHE HB2 H 3.33 0.02 2 812 86 75 PHE HB3 H 3.06 0.02 2 813 86 75 PHE HD1 H 7.04 0.02 1 814 86 75 PHE HD2 H 7.04 0.02 1 815 86 75 PHE HE1 H 7.26 0.02 1 816 86 75 PHE HE2 H 7.26 0.02 1 817 86 75 PHE C C 176.37 0.15 1 818 86 75 PHE CA C 62.03 0.15 1 819 86 75 PHE CB C 39.98 0.15 1 820 86 75 PHE CD1 C 131.56 0.15 1 821 86 75 PHE CD2 C 131.56 0.15 1 822 86 75 PHE CE1 C 130.76 0.15 1 823 86 75 PHE CE2 C 130.76 0.15 1 824 86 75 PHE N N 119.59 0.15 1 825 87 76 LEU H H 7.40 0.02 1 826 87 76 LEU HA H 4.29 0.02 1 827 87 76 LEU HB2 H 1.64 0.02 2 828 87 76 LEU HB3 H 1.54 0.02 2 829 87 76 LEU HG H 1.72 0.02 1 830 87 76 LEU HD1 H 0.87 0.02 2 831 87 76 LEU HD2 H 0.80 0.02 2 832 87 76 LEU C C 177.41 0.15 1 833 87 76 LEU CA C 57.76 0.15 1 834 87 76 LEU CB C 41.42 0.15 1 835 87 76 LEU CG C 31.92 0.15 1 836 87 76 LEU CD1 C 26.97 0.15 1 837 87 76 LEU CD2 C 23.75 0.15 1 838 87 76 LEU N N 117.56 0.15 1 839 88 77 TYR H H 7.93 0.02 1 840 88 77 TYR HA H 4.17 0.02 1 841 88 77 TYR HB2 H 3.21 0.02 2 842 88 77 TYR HB3 H 2.92 0.02 2 843 88 77 TYR HD1 H 7.08 0.02 1 844 88 77 TYR HD2 H 7.08 0.02 1 845 88 77 TYR HE1 H 6.72 0.02 1 846 88 77 TYR HE2 H 6.72 0.02 1 847 88 77 TYR C C 177.03 0.15 1 848 88 77 TYR CA C 60.24 0.15 1 849 88 77 TYR CB C 38.37 0.15 1 850 88 77 TYR CD1 C 132.32 0.15 1 851 88 77 TYR CD2 C 132.32 0.15 1 852 88 77 TYR CE1 C 117.67 0.15 1 853 88 77 TYR CE2 C 117.67 0.15 1 854 88 77 TYR N N 120.43 0.15 1 855 89 78 LEU H H 8.20 0.02 1 856 89 78 LEU HA H 3.34 0.02 1 857 89 78 LEU HB2 H 1.39 0.02 2 858 89 78 LEU HB3 H 1.00 0.02 2 859 89 78 LEU HG H 1.81 0.02 1 860 89 78 LEU HD1 H 0.72 0.02 2 861 89 78 LEU HD2 H 0.66 0.02 2 862 89 78 LEU C C 178.07 0.15 1 863 89 78 LEU CA C 57.57 0.15 1 864 89 78 LEU CB C 41.00 0.15 1 865 89 78 LEU CG C 32.36 0.15 1 866 89 78 LEU CD1 C 25.75 0.15 1 867 89 78 LEU CD2 C 24.19 0.15 1 868 89 78 LEU N N 120.22 0.15 1 869 90 79 LEU H H 7.09 0.02 1 870 90 79 LEU HA H 3.59 0.02 1 871 90 79 LEU HB2 H 0.95 0.02 1 872 90 79 LEU HB3 H 0.95 0.02 1 873 90 79 LEU HG H 0.72 0.02 1 874 90 79 LEU HD1 H 0.66 0.02 2 875 90 79 LEU HD2 H 0.72 0.02 2 876 90 79 LEU C C 177.98 0.15 1 877 90 79 LEU CA C 56.97 0.15 1 878 90 79 LEU CB C 40.92 0.15 1 879 90 79 LEU CG C 26.90 0.15 1 880 90 79 LEU CD1 C 24.71 0.15 1 881 90 79 LEU CD2 C 24.71 0.15 1 882 90 79 LEU N N 115.60 0.15 1 883 91 80 GLN H H 7.68 0.02 1 884 91 80 GLN HA H 3.76 0.02 1 885 91 80 GLN HB2 H 2.32 0.02 2 886 91 80 GLN HB3 H 2.10 0.02 2 887 91 80 GLN HG2 H 2.11 0.02 2 888 91 80 GLN HG3 H 1.93 0.02 2 889 91 80 GLN HE21 H 6.80 0.02 2 890 91 80 GLN HE22 H 7.56 0.02 2 891 91 80 GLN C C 178.72 0.15 1 892 91 80 GLN CA C 58.34 0.15 1 893 91 80 GLN CB C 29.69 0.15 1 894 91 80 GLN CG C 34.53 0.15 1 895 91 80 GLN N N 115.96 0.15 1 896 91 80 GLN NE2 N 111.62 0.15 1 897 92 81 GLN H H 8.46 0.02 1 898 92 81 GLN HA H 3.86 0.02 1 899 92 81 GLN HB2 H 1.85 0.02 2 900 92 81 GLN HB3 H 1.60 0.02 2 901 92 81 GLN HG2 H 2.23 0.02 2 902 92 81 GLN HG3 H 2.04 0.02 2 903 92 81 GLN HE21 H 7.50 0.02 2 904 92 81 GLN HE22 H 6.87 0.02 2 905 92 81 GLN C C 178.07 0.15 1 906 92 81 GLN CA C 56.78 0.15 1 907 92 81 GLN CB C 29.49 0.15 1 908 92 81 GLN CG C 33.93 0.15 1 909 92 81 GLN N N 116.78 0.15 1 910 92 81 GLN NE2 N 111.62 0.15 1 911 93 82 LEU H H 7.99 0.02 1 912 93 82 LEU HA H 4.54 0.02 1 913 93 82 LEU HB2 H 1.59 0.02 2 914 93 82 LEU HB3 H 1.73 0.02 2 915 93 82 LEU HG H 1.69 0.02 1 916 93 82 LEU HD1 H 1.87 0.02 2 917 93 82 LEU HD2 H 0.75 0.02 2 918 93 82 LEU C C 177.06 0.15 1 919 93 82 LEU CA C 53.56 0.15 1 920 93 82 LEU CB C 39.72 0.15 1 921 93 82 LEU CG C 26.90 0.15 1 922 93 82 LEU CD2 C 25.65 0.15 1 923 93 82 LEU N N 122.25 0.15 1 924 94 83 ALA H H 7.14 0.02 1 925 94 83 ALA HA H 3.95 0.02 1 926 94 83 ALA HB H 1.41 0.02 1 927 94 83 ALA C C 178.12 0.15 1 928 94 83 ALA CA C 54.83 0.15 1 929 94 83 ALA CB C 19.11 0.15 1 930 94 83 ALA N N 121.68 0.15 1 931 95 84 ASP H H 8.25 0.02 1 932 95 84 ASP HA H 4.41 0.02 1 933 95 84 ASP HB2 H 2.65 0.02 2 934 95 84 ASP HB3 H 2.59 0.02 2 935 95 84 ASP C C 177.24 0.15 1 936 95 84 ASP CA C 55.73 0.15 1 937 95 84 ASP CB C 40.22 0.15 1 938 95 84 ASP N N 115.37 0.15 1 939 96 85 ALA H H 7.83 0.02 1 940 96 85 ALA HA H 4.11 0.02 1 941 96 85 ALA HB H 0.92 0.02 1 942 96 85 ALA C C 178.75 0.15 1 943 96 85 ALA CA C 53.06 0.15 1 944 96 85 ALA CB C 18.70 0.15 1 945 96 85 ALA N N 121.00 0.15 1 946 97 86 TYR H H 7.61 0.02 1 947 97 86 TYR HA H 5.16 0.02 1 948 97 86 TYR HB2 H 3.18 0.02 2 949 97 86 TYR HB3 H 2.98 0.02 2 950 97 86 TYR HD1 H 6.91 0.02 2 951 97 86 TYR HE1 H 6.70 0.02 2 952 97 86 TYR C C 177.54 0.15 1 953 97 86 TYR CA C 55.85 0.15 1 954 97 86 TYR CB C 37.56 0.15 1 955 97 86 TYR CD1 C 133.25 0.15 2 956 97 86 TYR CE1 C 118.03 0.15 2 957 97 86 TYR N N 117.41 0.15 1 958 98 87 VAL H H 7.53 0.02 1 959 98 87 VAL HA H 4.35 0.02 1 960 98 87 VAL HB H 1.43 0.02 1 961 98 87 VAL CA C 65.07 0.15 1 962 98 87 VAL CB C 31.37 0.15 1 963 98 87 VAL N N 121.72 0.15 1 964 99 88 ASP H H 8.57 0.02 1 965 99 88 ASP HA H 4.59 0.02 1 966 99 88 ASP CA C 55.66 0.15 1 967 99 88 ASP CB C 40.55 0.15 1 968 99 88 ASP N N 119.52 0.15 1 969 102 91 PRO HA H 4.29 0.02 1 970 102 91 PRO HB2 H 2.11 0.02 1 971 102 91 PRO HB3 H 2.11 0.02 1 972 102 91 PRO HG2 H 1.94 0.02 1 973 102 91 PRO HG3 H 1.94 0.02 1 974 102 91 PRO HD2 H 3.86 0.02 1 975 102 91 PRO HD3 H 3.86 0.02 1 976 102 91 PRO C C 179.09 0.15 1 977 102 91 PRO CA C 66.25 0.15 1 978 102 91 PRO CB C 30.55 0.15 1 979 102 91 PRO CG C 26.71 0.15 1 980 102 91 PRO CD C 50.17 0.15 1 981 103 92 TRP H H 7.44 0.02 1 982 103 92 TRP HA H 4.37 0.02 1 983 103 92 TRP HB2 H 3.29 0.02 2 984 103 92 TRP HB3 H 3.24 0.02 2 985 103 92 TRP HD1 H 7.24 0.02 1 986 103 92 TRP HE3 H 7.32 0.02 3 987 103 92 TRP HZ2 H 7.19 0.02 3 988 103 92 TRP HZ3 H 6.70 0.02 3 989 103 92 TRP HH2 H 6.78 0.02 1 990 103 92 TRP C C 176.92 0.15 1 991 103 92 TRP CA C 60.78 0.15 1 992 103 92 TRP CB C 27.61 0.15 1 993 103 92 TRP CD1 C 127.37 0.15 2 994 103 92 TRP CE3 C 119.91 0.15 2 995 103 92 TRP CZ2 C 113.41 0.15 2 996 103 92 TRP CZ3 C 121.11 0.15 2 997 103 92 TRP CH2 C 122.86 0.15 1 998 103 92 TRP N N 120.22 0.15 1 999 104 93 LEU H H 8.12 0.02 1 1000 104 93 LEU HA H 3.44 0.02 1 1001 104 93 LEU HB2 H 2.03 0.02 2 1002 104 93 LEU HB3 H 2.02 0.02 2 1003 104 93 LEU HD1 H 0.88 0.02 2 1004 104 93 LEU C C 179.75 0.15 1 1005 104 93 LEU CA C 57.30 0.15 1 1006 104 93 LEU CB C 42.02 0.15 1 1007 104 93 LEU CG C 28.36 0.15 1 1008 104 93 LEU CD1 C 24.82 0.15 2 1009 104 93 LEU N N 117.72 0.15 1 1010 105 94 LEU H H 7.75 0.02 1 1011 105 94 LEU HA H 4.16 0.02 1 1012 105 94 LEU HB2 H 1.61 0.02 1 1013 105 94 LEU HB3 H 1.61 0.02 1 1014 105 94 LEU C C 179.79 0.15 1 1015 105 94 LEU CA C 57.11 0.15 1 1016 105 94 LEU CB C 41.73 0.15 1 1017 105 94 LEU N N 117.56 0.15 1 1018 106 95 GLU H H 8.01 0.02 1 1019 106 95 GLU HA H 4.00 0.02 1 1020 106 95 GLU HB2 H 2.14 0.02 1 1021 106 95 GLU HB3 H 2.14 0.02 1 1022 106 95 GLU HG2 H 1.88 0.02 1 1023 106 95 GLU HG3 H 1.88 0.02 1 1024 106 95 GLU C C 178.88 0.15 1 1025 106 95 GLU CA C 58.69 0.15 1 1026 106 95 GLU CB C 29.57 0.15 1 1027 106 95 GLU CG C 36.03 0.15 1 1028 106 95 GLU N N 122.45 0.15 1 1029 107 96 ILE H H 7.71 0.02 1 1030 107 96 ILE HA H 4.06 0.02 1 1031 107 96 ILE HB H 1.87 0.02 1 1032 107 96 ILE HG12 H 0.98 0.02 1 1033 107 96 ILE HG13 H 0.79 0.02 1 1034 107 96 ILE HG2 H 0.40 0.02 1 1035 107 96 ILE HD1 H 0.08 0.02 1 1036 107 96 ILE C C 176.90 0.15 1 1037 107 96 ILE CA C 62.03 0.15 1 1038 107 96 ILE CB C 37.40 0.15 1 1039 107 96 ILE CG1 C 25.32 0.15 2 1040 107 96 ILE CG2 C 17.02 0.15 1 1041 107 96 ILE CD1 C 14.98 0.15 1 1042 107 96 ILE N N 111.58 0.15 1 1043 108 97 GLY H H 7.63 0.02 1 1044 108 97 GLY HA2 H 3.85 0.02 2 1045 108 97 GLY HA3 H 3.77 0.02 2 1046 108 97 GLY C C 174.43 0.15 1 1047 108 97 GLY CA C 45.90 0.15 1 1048 108 97 GLY N N 110.22 0.15 1 1049 109 98 PHE H H 7.58 0.02 1 1050 109 98 PHE HA H 4.40 0.02 1 1051 109 98 PHE HB2 H 3.85 0.02 2 1052 109 98 PHE HB3 H 3.77 0.02 2 1053 109 98 PHE C C 174.97 0.15 1 1054 109 98 PHE CA C 58.42 0.15 1 1055 109 98 PHE CB C 39.61 0.15 1 1056 109 98 PHE N N 119.46 0.15 1 1057 110 99 SER H H 8.30 0.02 1 1058 110 99 SER CA C 54.68 0.15 1 1059 110 99 SER CB C 63.58 0.15 1 1060 110 99 SER N N 122.87 0.15 1 stop_ save_