data_16317 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of human interleukin-33 ; _BMRB_accession_number 16317 _BMRB_flat_file_name bmr16317.str _Entry_type original _Submission_date 2009-05-26 _Accession_date 2009-05-26 _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 Lingel Andreas . . 2 Fairbrother Wayne . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 872 "13C chemical shifts" 548 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-28 update BMRB 'edit entity/assembly name' 2009-11-25 update BMRB 'complete entry citation' 2009-07-23 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignments of the human cytokine interleukin-33' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19888696 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lingel Andreas . . 2 Fairbrother Wayne J. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 3 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 223 _Page_last 225 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human interleukin-33' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human interleukin-33' $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 'human interleukin-33' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 161 _Mol_residue_sequence ; GSSITGISPITEYLASLSTY NDQSITFALEDESYEIYVED LKKDEKKDKVLLSYYESQHP SNESGDGVDGKMLMVTLSPT KDFWLHANNKEHSVELHKCE KPLPDQAFFVLHNMHSNCVS FECKTDPGVFIGVKDNHLAL IKVDSSENLCTENILFKLSE T ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 GLY 2 1 SER 3 2 SER 4 3 ILE 5 4 THR 6 5 GLY 7 6 ILE 8 7 SER 9 8 PRO 10 9 ILE 11 10 THR 12 11 GLU 13 12 TYR 14 13 LEU 15 14 ALA 16 15 SER 17 16 LEU 18 17 SER 19 18 THR 20 19 TYR 21 20 ASN 22 21 ASP 23 22 GLN 24 23 SER 25 24 ILE 26 25 THR 27 26 PHE 28 27 ALA 29 28 LEU 30 29 GLU 31 30 ASP 32 31 GLU 33 32 SER 34 33 TYR 35 34 GLU 36 35 ILE 37 36 TYR 38 37 VAL 39 38 GLU 40 39 ASP 41 40 LEU 42 41 LYS 43 42 LYS 44 43 ASP 45 44 GLU 46 45 LYS 47 46 LYS 48 47 ASP 49 48 LYS 50 49 VAL 51 50 LEU 52 51 LEU 53 52 SER 54 53 TYR 55 54 TYR 56 55 GLU 57 56 SER 58 57 GLN 59 58 HIS 60 59 PRO 61 60 SER 62 61 ASN 63 62 GLU 64 63 SER 65 64 GLY 66 65 ASP 67 66 GLY 68 67 VAL 69 68 ASP 70 69 GLY 71 70 LYS 72 71 MET 73 72 LEU 74 73 MET 75 74 VAL 76 75 THR 77 76 LEU 78 77 SER 79 78 PRO 80 79 THR 81 80 LYS 82 81 ASP 83 82 PHE 84 83 TRP 85 84 LEU 86 85 HIS 87 86 ALA 88 87 ASN 89 88 ASN 90 89 LYS 91 90 GLU 92 91 HIS 93 92 SER 94 93 VAL 95 94 GLU 96 95 LEU 97 96 HIS 98 97 LYS 99 98 CYS 100 99 GLU 101 100 LYS 102 101 PRO 103 102 LEU 104 103 PRO 105 104 ASP 106 105 GLN 107 106 ALA 108 107 PHE 109 108 PHE 110 109 VAL 111 110 LEU 112 111 HIS 113 112 ASN 114 113 MET 115 114 HIS 116 115 SER 117 116 ASN 118 117 CYS 119 118 VAL 120 119 SER 121 120 PHE 122 121 GLU 123 122 CYS 124 123 LYS 125 124 THR 126 125 ASP 127 126 PRO 128 127 GLY 129 128 VAL 130 129 PHE 131 130 ILE 132 131 GLY 133 132 VAL 134 133 LYS 135 134 ASP 136 135 ASN 137 136 HIS 138 137 LEU 139 138 ALA 140 139 LEU 141 140 ILE 142 141 LYS 143 142 VAL 144 143 ASP 145 144 SER 146 145 SER 147 146 GLU 148 147 ASN 149 148 LEU 150 149 CYS 151 150 THR 152 151 GLU 153 152 ASN 154 153 ILE 155 154 LEU 156 155 PHE 157 156 LYS 158 157 LEU 159 158 SER 160 159 GLU 161 160 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 2KLL "Solution Structure Of Human Interleukin-33" 100.00 161 100.00 100.00 8.28e-113 PDB 4KC3 "Cytokine/receptor Binary Complex" 98.76 159 98.11 98.11 4.27e-108 DBJ BAA75892 "DVS27-related protein [Homo sapiens]" 99.38 270 100.00 100.00 5.52e-112 DBJ BAG36208 "unnamed protein product [Homo sapiens]" 99.38 270 99.38 99.38 8.63e-111 DBJ BAG58697 "unnamed protein product [Homo sapiens]" 70.81 144 99.12 100.00 4.93e-77 DBJ BAJ20898 "interleukin 33 [synthetic construct]" 99.38 270 100.00 100.00 5.52e-112 EMBL CAG28547 "C9orf26 [Homo sapiens]" 99.38 270 100.00 100.00 5.52e-112 GB AAH47085 "Interleukin 33 [Homo sapiens]" 99.38 270 100.00 100.00 5.52e-112 GB AAX86998 "interleukin-33 [Homo sapiens]" 99.38 270 100.00 100.00 5.52e-112 GB ADR77828 "interleukin 33 variant 2 [Homo sapiens]" 97.52 228 100.00 100.00 3.15e-110 GB AIC52722 "IL33, partial [synthetic construct]" 99.38 270 100.00 100.00 5.52e-112 GB EAW58748 "chromosome 9 open reading frame 26 (NF-HEV), isoform CRA_a [Homo sapiens]" 99.38 270 100.00 100.00 5.52e-112 REF NP_001186570 "interleukin-33 isoform c [Homo sapiens]" 70.81 144 99.12 100.00 4.93e-77 REF NP_001300973 "interleukin-33 isoform a [Homo sapiens]" 99.38 270 100.00 100.00 5.52e-112 REF NP_001300974 "interleukin-33 isoform a [Homo sapiens]" 99.38 270 100.00 100.00 5.52e-112 REF NP_001300975 "interleukin-33 isoform d [Homo sapiens]" 95.65 264 99.35 99.35 1.85e-106 REF NP_001300976 "interleukin-33 isoform d [Homo sapiens]" 95.65 264 99.35 99.35 1.85e-106 SP O95760 "RecName: Full=Interleukin-33; Short=IL-33; AltName: Full=Interleukin-1 family member 11; Short=IL-1F11; AltName: Full=Nuclear f" 99.38 270 100.00 100.00 5.52e-112 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 . pET101 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' beta-mercaptoethanol 5 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_unlabeled_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' beta-mercaptoethanol 5 mM '[U-100% 2H]' D2O 100 % 'natural abundance' stop_ save_ save_15N_13C_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' beta-mercaptoethanol 5 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_15N_13C_sample_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' beta-mercaptoethanol 5 mM '[U-100% 2H]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_CCPN _Saveframe_category software _Name CCPN _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 2.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' 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_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task Display stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details 'cryogenic triple-resonance probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details 'room temperature triple-resonance probe' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 900 _Details 'cryogenic triple-resonance probe' save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N_sample save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $15N_13C_sample_D2O save_ save_3D_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $15N_sample save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $unlabeled_sample save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $15N_13C_sample save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N_13C_sample save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $15N_13C_sample save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $15N_13C_sample save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $15N_13C_sample save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $15N_13C_sample_D2O save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_sample save_ save_2D_1H-13C_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $15N_13C_sample save_ ####################### # Sample conditions # ####################### save_Condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 6.5 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HNHA' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $15N_sample $15N_13C_sample_D2O $15N_13C_sample stop_ _Sample_conditions_label $Condition_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'human interleukin-33' _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 3 4 ILE H H 8.198 0.02 1 2 3 4 ILE HA H 4.246 0.02 1 3 3 4 ILE HB H 1.821 0.02 1 4 3 4 ILE HD1 H 0.748 0.02 1 5 3 4 ILE HG12 H 1.087 0.02 2 6 3 4 ILE HG13 H 1.371 0.02 2 7 3 4 ILE HG2 H 0.808 0.02 1 8 3 4 ILE CA C 61.002 0.2 1 9 3 4 ILE CB C 38.400 0.2 1 10 3 4 ILE CD1 C 12.910 0.2 1 11 3 4 ILE CG1 C 27.000 0.2 1 12 3 4 ILE CG2 C 17.400 0.2 1 13 3 4 ILE N N 121.904 0.1 1 14 4 5 THR H H 8.045 0.02 1 15 4 5 THR HA H 4.328 0.02 1 16 4 5 THR HB H 4.153 0.02 1 17 4 5 THR HG2 H 1.152 0.02 1 18 4 5 THR CA C 61.754 0.2 1 19 4 5 THR CB C 69.755 0.2 1 20 4 5 THR CG2 C 21.408 0.2 1 21 4 5 THR N N 117.078 0.1 1 22 5 6 GLY H H 8.294 0.02 1 23 5 6 GLY HA2 H 3.978 0.02 2 24 5 6 GLY HA3 H 4.040 0.02 2 25 5 6 GLY CA C 45.204 0.2 1 26 5 6 GLY N N 110.823 0.1 1 27 6 7 ILE H H 7.850 0.02 1 28 6 7 ILE HA H 4.507 0.02 1 29 6 7 ILE HB H 1.923 0.02 1 30 6 7 ILE HD1 H 0.690 0.02 1 31 6 7 ILE HG12 H 1.139 0.02 2 32 6 7 ILE HG13 H 1.471 0.02 2 33 6 7 ILE HG2 H 0.911 0.02 1 34 6 7 ILE CA C 61.058 0.2 1 35 6 7 ILE CB C 39.405 0.2 1 36 6 7 ILE CD1 C 13.159 0.2 1 37 6 7 ILE CG1 C 26.637 0.2 1 38 6 7 ILE CG2 C 17.628 0.2 1 39 6 7 ILE N N 117.894 0.1 1 40 7 8 SER H H 8.484 0.02 1 41 7 8 SER HA H 5.138 0.02 1 42 7 8 SER HB2 H 3.800 0.02 2 43 7 8 SER HB3 H 3.931 0.02 2 44 7 8 SER CA C 55.586 0.2 1 45 7 8 SER CB C 63.867 0.2 1 46 7 8 SER N N 119.581 0.1 1 47 8 9 PRO HA H 4.070 0.02 1 48 8 9 PRO HB2 H 1.573 0.02 2 49 8 9 PRO HB3 H 1.707 0.02 2 50 8 9 PRO HD2 H 3.845 0.02 2 51 8 9 PRO HD3 H 3.898 0.02 2 52 8 9 PRO HG2 H 1.900 0.02 2 53 8 9 PRO HG3 H 1.991 0.02 2 54 8 9 PRO CA C 62.783 0.2 1 55 8 9 PRO CB C 32.390 0.2 1 56 8 9 PRO CD C 50.620 0.2 1 57 8 9 PRO CG C 26.374 0.2 1 58 9 10 ILE H H 8.916 0.02 1 59 9 10 ILE HA H 4.231 0.02 1 60 9 10 ILE HB H 1.827 0.02 1 61 9 10 ILE HD1 H 0.916 0.02 1 62 9 10 ILE HG12 H 1.170 0.02 2 63 9 10 ILE HG13 H 1.567 0.02 2 64 9 10 ILE HG2 H 1.017 0.02 1 65 9 10 ILE CA C 62.297 0.2 1 66 9 10 ILE CB C 39.145 0.2 1 67 9 10 ILE CD1 C 13.661 0.2 1 68 9 10 ILE CG1 C 27.277 0.2 1 69 9 10 ILE CG2 C 17.857 0.2 1 70 9 10 ILE N N 119.667 0.1 1 71 10 11 THR H H 7.263 0.02 1 72 10 11 THR HA H 4.577 0.02 1 73 10 11 THR HB H 4.151 0.02 1 74 10 11 THR HG2 H 1.009 0.02 1 75 10 11 THR CA C 60.889 0.2 1 76 10 11 THR CB C 69.698 0.2 1 77 10 11 THR CG2 C 19.919 0.2 1 78 10 11 THR N N 112.847 0.1 1 79 11 12 GLU H H 8.157 0.02 1 80 11 12 GLU HA H 5.689 0.02 1 81 11 12 GLU HB2 H 1.983 0.02 2 82 11 12 GLU HB3 H 2.091 0.02 2 83 11 12 GLU HG2 H 2.202 0.02 2 84 11 12 GLU CA C 54.700 0.2 1 85 11 12 GLU CB C 33.384 0.2 1 86 11 12 GLU CG C 36.681 0.2 1 87 11 12 GLU N N 122.192 0.1 1 88 12 13 TYR H H 8.917 0.02 1 89 12 13 TYR HA H 4.919 0.02 1 90 12 13 TYR HB2 H 3.144 0.02 2 91 12 13 TYR HB3 H 3.351 0.02 2 92 12 13 TYR HD1 H 7.033 0.02 3 93 12 13 TYR HD2 H 7.033 0.02 3 94 12 13 TYR HE1 H 6.672 0.02 3 95 12 13 TYR HE2 H 6.672 0.02 3 96 12 13 TYR CA C 56.453 0.2 1 97 12 13 TYR CB C 40.158 0.2 1 98 12 13 TYR CD1 C 133.549 0.2 3 99 12 13 TYR CD2 C 133.549 0.2 3 100 12 13 TYR CE1 C 118.391 0.2 3 101 12 13 TYR CE2 C 118.391 0.2 3 102 12 13 TYR N N 119.678 0.1 1 103 13 14 LEU H H 8.420 0.02 1 104 13 14 LEU HA H 5.201 0.02 1 105 13 14 LEU HB2 H 1.290 0.02 2 106 13 14 LEU HB3 H 1.761 0.02 2 107 13 14 LEU HD1 H 0.882 0.02 1 108 13 14 LEU HD2 H 0.745 0.02 1 109 13 14 LEU HG H 1.586 0.02 1 110 13 14 LEU CA C 53.778 0.2 1 111 13 14 LEU CB C 43.570 0.2 1 112 13 14 LEU CD1 C 25.267 0.2 2 113 13 14 LEU CD2 C 23.862 0.2 2 114 13 14 LEU CG C 26.836 0.2 1 115 13 14 LEU N N 121.655 0.1 1 116 14 15 ALA H H 9.227 0.02 1 117 14 15 ALA HA H 4.979 0.02 1 118 14 15 ALA HB H 1.420 0.02 1 119 14 15 ALA CA C 50.832 0.2 1 120 14 15 ALA CB C 23.479 0.2 1 121 14 15 ALA N N 124.927 0.1 1 122 15 16 SER H H 9.006 0.02 1 123 15 16 SER HA H 5.044 0.02 1 124 15 16 SER HB2 H 3.886 0.02 2 125 15 16 SER HB3 H 3.922 0.02 2 126 15 16 SER CA C 57.379 0.2 1 127 15 16 SER CB C 64.811 0.2 1 128 15 16 SER N N 115.217 0.1 1 129 16 17 LEU H H 9.299 0.02 1 130 16 17 LEU HA H 5.350 0.02 1 131 16 17 LEU HB2 H 1.509 0.02 2 132 16 17 LEU HB3 H 1.750 0.02 2 133 16 17 LEU HD1 H 0.823 0.02 1 134 16 17 LEU HD2 H 0.613 0.02 1 135 16 17 LEU HG H 1.645 0.02 1 136 16 17 LEU CA C 54.150 0.2 1 137 16 17 LEU CB C 45.483 0.2 1 138 16 17 LEU CD1 C 24.550 0.2 2 139 16 17 LEU CD2 C 24.618 0.2 2 140 16 17 LEU CG C 27.466 0.2 1 141 16 17 LEU N N 125.526 0.1 1 142 17 18 SER H H 9.032 0.02 1 143 17 18 SER HA H 5.707 0.02 1 144 17 18 SER HB2 H 3.800 0.02 2 145 17 18 SER HB3 H 3.929 0.02 2 146 17 18 SER CA C 56.078 0.2 1 147 17 18 SER CB C 66.504 0.2 1 148 17 18 SER N N 118.219 0.1 1 149 18 19 THR H H 9.122 0.02 1 150 18 19 THR HA H 4.651 0.02 1 151 18 19 THR HB H 4.834 0.02 1 152 18 19 THR HG1 H 6.008 0.02 1 153 18 19 THR HG2 H 1.270 0.02 1 154 18 19 THR CA C 60.871 0.2 1 155 18 19 THR CB C 71.214 0.2 1 156 18 19 THR CG2 C 22.894 0.2 1 157 18 19 THR N N 110.542 0.1 1 158 19 20 TYR H H 7.890 0.02 1 159 19 20 TYR HA H 3.895 0.02 1 160 19 20 TYR HB2 H 2.816 0.02 2 161 19 20 TYR HB3 H 3.256 0.02 2 162 19 20 TYR HD1 H 7.056 0.02 3 163 19 20 TYR HD2 H 7.056 0.02 3 164 19 20 TYR HE1 H 6.770 0.02 3 165 19 20 TYR HE2 H 6.770 0.02 3 166 19 20 TYR CA C 61.228 0.2 1 167 19 20 TYR CB C 39.123 0.2 1 168 19 20 TYR CD1 C 133.499 0.2 3 169 19 20 TYR CD2 C 133.499 0.2 3 170 19 20 TYR CE1 C 117.666 0.2 3 171 19 20 TYR CE2 C 117.666 0.2 3 172 19 20 TYR N N 119.460 0.1 1 173 20 21 ASN H H 7.312 0.02 1 174 20 21 ASN HA H 4.663 0.02 1 175 20 21 ASN HB2 H 2.596 0.02 2 176 20 21 ASN HB3 H 2.787 0.02 2 177 20 21 ASN CA C 52.035 0.2 1 178 20 21 ASN CB C 37.228 0.2 1 179 20 21 ASN N N 112.235 0.1 1 180 21 22 ASP H H 7.919 0.02 1 181 21 22 ASP HA H 4.210 0.02 1 182 21 22 ASP HB2 H 2.810 0.02 2 183 21 22 ASP HB3 H 2.923 0.02 2 184 21 22 ASP CA C 56.289 0.2 1 185 21 22 ASP CB C 38.389 0.2 1 186 21 22 ASP N N 113.136 0.1 1 187 22 23 GLN H H 7.621 0.02 1 188 22 23 GLN HA H 4.576 0.02 1 189 22 23 GLN HB2 H 1.949 0.02 2 190 22 23 GLN HB3 H 1.985 0.02 2 191 22 23 GLN HG2 H 2.020 0.02 2 192 22 23 GLN HG3 H 2.223 0.02 2 193 22 23 GLN CA C 55.474 0.2 1 194 22 23 GLN CB C 29.609 0.2 1 195 22 23 GLN CG C 33.962 0.2 1 196 22 23 GLN N N 115.930 0.1 1 197 23 24 SER H H 8.847 0.02 1 198 23 24 SER HA H 4.699 0.02 1 199 23 24 SER HB2 H 3.769 0.02 2 200 23 24 SER HB3 H 3.945 0.02 2 201 23 24 SER CA C 59.518 0.2 1 202 23 24 SER CB C 64.710 0.2 1 203 23 24 SER N N 118.760 0.1 1 204 24 25 ILE H H 7.851 0.02 1 205 24 25 ILE HA H 4.685 0.02 1 206 24 25 ILE HB H 1.837 0.02 1 207 24 25 ILE HD1 H 0.815 0.02 1 208 24 25 ILE HG12 H 1.297 0.02 2 209 24 25 ILE HG13 H 1.355 0.02 2 210 24 25 ILE HG2 H 0.329 0.02 1 211 24 25 ILE CA C 59.480 0.2 1 212 24 25 ILE CB C 36.204 0.2 1 213 24 25 ILE CD1 C 12.920 0.2 1 214 24 25 ILE CG1 C 28.189 0.2 1 215 24 25 ILE CG2 C 18.377 0.2 1 216 24 25 ILE N N 122.951 0.1 1 217 25 26 THR H H 8.865 0.02 1 218 25 26 THR HA H 4.615 0.02 1 219 25 26 THR HB H 3.743 0.02 1 220 25 26 THR HG2 H 1.047 0.02 1 221 25 26 THR CA C 59.720 0.2 1 222 25 26 THR CB C 70.755 0.2 1 223 25 26 THR CG2 C 21.919 0.2 1 224 25 26 THR N N 123.404 0.1 1 225 26 27 PHE H H 8.614 0.02 1 226 26 27 PHE HA H 4.986 0.02 1 227 26 27 PHE HB2 H 2.583 0.02 2 228 26 27 PHE HB3 H 2.916 0.02 2 229 26 27 PHE HD1 H 7.121 0.02 3 230 26 27 PHE HD2 H 7.121 0.02 3 231 26 27 PHE HE1 H 6.963 0.02 3 232 26 27 PHE HE2 H 6.963 0.02 3 233 26 27 PHE HZ H 6.651 0.02 1 234 26 27 PHE CA C 55.673 0.2 1 235 26 27 PHE CB C 40.422 0.2 1 236 26 27 PHE CD1 C 132.625 0.2 3 237 26 27 PHE CD2 C 132.625 0.2 3 238 26 27 PHE CE1 C 130.702 0.2 3 239 26 27 PHE CE2 C 130.702 0.2 3 240 26 27 PHE CZ C 127.806 0.2 1 241 26 27 PHE N N 120.710 0.1 1 242 27 28 ALA H H 8.989 0.02 1 243 27 28 ALA HA H 4.719 0.02 1 244 27 28 ALA HB H 1.496 0.02 1 245 27 28 ALA CA C 51.105 0.2 1 246 27 28 ALA CB C 20.169 0.2 1 247 27 28 ALA N N 127.571 0.1 1 248 28 29 LEU H H 8.302 0.02 1 249 28 29 LEU HA H 4.388 0.02 1 250 28 29 LEU HB2 H 1.337 0.02 2 251 28 29 LEU HB3 H 1.432 0.02 2 252 28 29 LEU HD1 H 0.441 0.02 1 253 28 29 LEU HD2 H 0.397 0.02 1 254 28 29 LEU HG H 1.313 0.02 1 255 28 29 LEU CA C 54.689 0.2 1 256 28 29 LEU CB C 42.072 0.2 1 257 28 29 LEU CD1 C 24.197 0.2 2 258 28 29 LEU CD2 C 24.183 0.2 2 259 28 29 LEU CG C 26.622 0.2 1 260 28 29 LEU N N 123.967 0.1 1 261 29 30 GLU H H 8.426 0.02 1 262 29 30 GLU HA H 4.383 0.02 1 263 29 30 GLU HB2 H 1.942 0.02 2 264 29 30 GLU HB3 H 2.072 0.02 2 265 29 30 GLU HG2 H 2.225 0.02 2 266 29 30 GLU CA C 55.674 0.2 1 267 29 30 GLU CB C 30.616 0.2 1 268 29 30 GLU CG C 35.921 0.2 1 269 29 30 GLU N N 123.800 0.1 1 270 30 31 ASP H H 8.504 0.02 1 271 30 31 ASP HA H 4.359 0.02 1 272 30 31 ASP HB2 H 2.793 0.02 2 273 30 31 ASP HB3 H 2.846 0.02 2 274 30 31 ASP CA C 55.650 0.2 1 275 30 31 ASP CB C 39.912 0.2 1 276 30 31 ASP N N 121.263 0.1 1 277 31 32 GLU H H 8.235 0.02 1 278 31 32 GLU HA H 4.039 0.02 1 279 31 32 GLU HB2 H 2.072 0.02 2 280 31 32 GLU HB3 H 2.311 0.02 2 281 31 32 GLU HG2 H 2.248 0.02 2 282 31 32 GLU HG3 H 2.296 0.02 2 283 31 32 GLU CA C 56.572 0.2 1 284 31 32 GLU CB C 29.099 0.2 1 285 31 32 GLU CG C 36.576 0.2 1 286 31 32 GLU N N 115.284 0.1 1 287 32 33 SER H H 7.854 0.02 1 288 32 33 SER HA H 4.556 0.02 1 289 32 33 SER HB2 H 3.866 0.02 2 290 32 33 SER CA C 57.848 0.2 1 291 32 33 SER CB C 64.080 0.2 1 292 32 33 SER N N 114.403 0.1 1 293 33 34 TYR H H 8.117 0.02 1 294 33 34 TYR HA H 4.995 0.02 1 295 33 34 TYR HB2 H 2.892 0.02 2 296 33 34 TYR HB3 H 2.990 0.02 2 297 33 34 TYR HD1 H 6.777 0.02 3 298 33 34 TYR HD2 H 6.777 0.02 3 299 33 34 TYR HE1 H 6.528 0.02 3 300 33 34 TYR HE2 H 6.528 0.02 3 301 33 34 TYR CA C 56.928 0.2 1 302 33 34 TYR CB C 39.116 0.2 1 303 33 34 TYR CD1 C 132.661 0.2 3 304 33 34 TYR CD2 C 132.661 0.2 3 305 33 34 TYR CE1 C 117.666 0.2 3 306 33 34 TYR CE2 C 117.666 0.2 3 307 33 34 TYR N N 119.987 0.1 1 308 34 35 GLU H H 8.466 0.02 1 309 34 35 GLU HA H 4.574 0.02 1 310 34 35 GLU HB2 H 1.866 0.02 2 311 34 35 GLU HG2 H 2.269 0.02 2 312 34 35 GLU CA C 55.417 0.2 1 313 34 35 GLU CB C 33.071 0.2 1 314 34 35 GLU CG C 35.921 0.2 1 315 34 35 GLU N N 120.614 0.1 1 316 35 36 ILE H H 8.485 0.02 1 317 35 36 ILE HA H 4.713 0.02 1 318 35 36 ILE HB H 1.773 0.02 1 319 35 36 ILE HD1 H 0.827 0.02 1 320 35 36 ILE HG12 H 0.913 0.02 2 321 35 36 ILE HG13 H 1.723 0.02 2 322 35 36 ILE HG2 H 0.447 0.02 1 323 35 36 ILE CA C 60.138 0.2 1 324 35 36 ILE CB C 39.383 0.2 1 325 35 36 ILE CD1 C 14.400 0.2 1 326 35 36 ILE CG1 C 27.108 0.2 1 327 35 36 ILE CG2 C 17.943 0.2 1 328 35 36 ILE N N 121.673 0.1 1 329 36 37 TYR H H 8.725 0.02 1 330 36 37 TYR HA H 5.148 0.02 1 331 36 37 TYR HB2 H 2.816 0.02 2 332 36 37 TYR HD1 H 6.937 0.02 3 333 36 37 TYR HD2 H 6.937 0.02 3 334 36 37 TYR HE1 H 6.737 0.02 3 335 36 37 TYR HE2 H 6.737 0.02 3 336 36 37 TYR CA C 55.698 0.2 1 337 36 37 TYR CB C 40.866 0.2 1 338 36 37 TYR CD1 C 132.625 0.2 3 339 36 37 TYR CD2 C 132.625 0.2 3 340 36 37 TYR CE1 C 117.666 0.2 3 341 36 37 TYR CE2 C 117.666 0.2 3 342 36 37 TYR N N 125.169 0.1 1 343 37 38 VAL H H 7.859 0.02 1 344 37 38 VAL HA H 4.636 0.02 1 345 37 38 VAL HB H 1.750 0.02 1 346 37 38 VAL HG1 H 0.758 0.02 1 347 37 38 VAL HG2 H 0.679 0.02 1 348 37 38 VAL CA C 60.937 0.2 1 349 37 38 VAL CB C 32.382 0.2 1 350 37 38 VAL CG1 C 21.883 0.2 2 351 37 38 VAL CG2 C 20.165 0.2 2 352 37 38 VAL N N 120.727 0.1 1 353 38 39 GLU H H 8.885 0.02 1 354 38 39 GLU HA H 4.690 0.02 1 355 38 39 GLU HB2 H 1.874 0.02 2 356 38 39 GLU HB3 H 2.044 0.02 2 357 38 39 GLU HG2 H 2.124 0.02 2 358 38 39 GLU HG3 H 2.151 0.02 2 359 38 39 GLU CA C 55.174 0.2 1 360 38 39 GLU CB C 33.421 0.2 1 361 38 39 GLU CG C 35.421 0.2 1 362 38 39 GLU N N 124.823 0.1 1 363 39 40 ASP H H 8.646 0.02 1 364 39 40 ASP HA H 4.721 0.02 1 365 39 40 ASP HB2 H 2.593 0.02 2 366 39 40 ASP HB3 H 2.716 0.02 2 367 39 40 ASP CA C 54.340 0.2 1 368 39 40 ASP CB C 40.839 0.2 1 369 39 40 ASP N N 122.400 0.1 1 370 40 41 LEU H H 8.133 0.02 1 371 40 41 LEU HA H 4.430 0.02 1 372 40 41 LEU HB2 H 1.573 0.02 2 373 40 41 LEU HB3 H 1.646 0.02 2 374 40 41 LEU HD1 H 0.912 0.02 1 375 40 41 LEU HD2 H 0.868 0.02 1 376 40 41 LEU HG H 1.564 0.02 1 377 40 41 LEU CA C 54.553 0.2 1 378 40 41 LEU CB C 42.942 0.2 1 379 40 41 LEU CD1 C 24.854 0.2 2 380 40 41 LEU CD2 C 23.665 0.2 2 381 40 41 LEU CG C 26.785 0.2 1 382 40 41 LEU N N 122.394 0.1 1 383 41 42 LYS H H 8.659 0.02 1 384 41 42 LYS HA H 4.357 0.02 1 385 41 42 LYS HB2 H 1.758 0.02 2 386 41 42 LYS HB3 H 1.912 0.02 2 387 41 42 LYS HD2 H 1.717 0.02 2 388 41 42 LYS HE2 H 3.012 0.02 2 389 41 42 LYS HG2 H 1.487 0.02 2 390 41 42 LYS CA C 55.924 0.2 1 391 41 42 LYS CB C 32.421 0.2 1 392 41 42 LYS CD C 28.670 0.2 1 393 41 42 LYS CE C 41.922 0.2 1 394 41 42 LYS CG C 24.670 0.2 1 395 41 42 LYS N N 122.920 0.1 1 396 42 43 LYS H H 8.371 0.02 1 397 42 43 LYS HA H 4.223 0.02 1 398 42 43 LYS HB2 H 1.791 0.02 2 399 42 43 LYS HB3 H 1.851 0.02 2 400 42 43 LYS HD2 H 1.715 0.02 2 401 42 43 LYS HE2 H 3.010 0.02 2 402 42 43 LYS HG2 H 1.464 0.02 2 403 42 43 LYS CA C 56.924 0.2 1 404 42 43 LYS CB C 32.671 0.2 1 405 42 43 LYS CD C 28.670 0.2 1 406 42 43 LYS CE C 41.922 0.2 1 407 42 43 LYS CG C 24.420 0.2 1 408 42 43 LYS N N 121.924 0.1 1 409 43 44 ASP H H 8.355 0.02 1 410 43 44 ASP HA H 4.556 0.02 1 411 43 44 ASP HB2 H 2.720 0.02 2 412 43 44 ASP CA C 54.243 0.2 1 413 43 44 ASP CB C 40.582 0.2 1 414 43 44 ASP N N 118.485 0.1 1 415 44 45 GLU H H 8.011 0.02 1 416 44 45 GLU HA H 4.313 0.02 1 417 44 45 GLU HB2 H 2.009 0.02 2 418 44 45 GLU HB3 H 2.099 0.02 2 419 44 45 GLU HG2 H 2.237 0.02 2 420 44 45 GLU HG3 H 2.297 0.02 2 421 44 45 GLU CA C 56.362 0.2 1 422 44 45 GLU CB C 30.265 0.2 1 423 44 45 GLU CG C 36.787 0.2 1 424 44 45 GLU N N 119.516 0.1 1 425 45 46 LYS H H 8.304 0.02 1 426 45 46 LYS HA H 4.307 0.02 1 427 45 46 LYS HB2 H 1.812 0.02 2 428 45 46 LYS HB3 H 1.869 0.02 2 429 45 46 LYS HD2 H 1.718 0.02 2 430 45 46 LYS HE2 H 3.006 0.02 2 431 45 46 LYS HG2 H 1.427 0.02 2 432 45 46 LYS HG3 H 1.511 0.02 2 433 45 46 LYS CA C 56.424 0.2 1 434 45 46 LYS CB C 32.421 0.2 1 435 45 46 LYS CD C 28.920 0.2 1 436 45 46 LYS CE C 41.922 0.2 1 437 45 46 LYS CG C 24.420 0.2 1 438 45 46 LYS N N 121.875 0.1 1 439 46 47 LYS H H 8.280 0.02 1 440 46 47 LYS HA H 4.469 0.02 1 441 46 47 LYS HB2 H 1.770 0.02 2 442 46 47 LYS HB3 H 1.971 0.02 2 443 46 47 LYS HD2 H 1.709 0.02 2 444 46 47 LYS HE2 H 3.012 0.02 2 445 46 47 LYS HG2 H 1.500 0.02 2 446 46 47 LYS CA C 55.514 0.2 1 447 46 47 LYS CB C 33.264 0.2 1 448 46 47 LYS CD C 28.758 0.2 1 449 46 47 LYS CE C 42.085 0.2 1 450 46 47 LYS CG C 24.758 0.2 1 451 46 47 LYS N N 122.374 0.1 1 452 47 48 ASP H H 8.778 0.02 1 453 47 48 ASP HA H 4.811 0.02 1 454 47 48 ASP HB2 H 2.870 0.02 2 455 47 48 ASP CA C 54.357 0.2 1 456 47 48 ASP CB C 41.842 0.2 1 457 47 48 ASP N N 122.211 0.1 1 458 48 49 LYS H H 8.388 0.02 1 459 48 49 LYS HA H 4.593 0.02 1 460 48 49 LYS HB2 H 1.554 0.02 2 461 48 49 LYS HB3 H 1.773 0.02 2 462 48 49 LYS HD2 H 1.551 0.02 2 463 48 49 LYS HD3 H 1.595 0.02 2 464 48 49 LYS HE2 H 3.000 0.02 2 465 48 49 LYS HG2 H 1.346 0.02 2 466 48 49 LYS HG3 H 1.546 0.02 2 467 48 49 LYS CA C 55.134 0.2 1 468 48 49 LYS CB C 34.993 0.2 1 469 48 49 LYS CD C 29.349 0.2 1 470 48 49 LYS CE C 41.922 0.2 1 471 48 49 LYS CG C 25.336 0.2 1 472 48 49 LYS N N 120.889 0.1 1 473 49 50 VAL H H 9.063 0.02 1 474 49 50 VAL HA H 4.097 0.02 1 475 49 50 VAL HB H 1.696 0.02 1 476 49 50 VAL HG1 H 0.543 0.02 1 477 49 50 VAL HG2 H 0.724 0.02 1 478 49 50 VAL CA C 59.275 0.2 1 479 49 50 VAL CB C 33.958 0.2 1 480 49 50 VAL CG1 C 21.702 0.2 2 481 49 50 VAL CG2 C 20.701 0.2 2 482 49 50 VAL N N 118.350 0.1 1 483 50 51 LEU H H 8.238 0.02 1 484 50 51 LEU HA H 4.561 0.02 1 485 50 51 LEU HB2 H 1.251 0.02 2 486 50 51 LEU HB3 H 1.997 0.02 2 487 50 51 LEU HD1 H 0.726 0.02 1 488 50 51 LEU HD2 H 0.830 0.02 1 489 50 51 LEU HG H 1.241 0.02 1 490 50 51 LEU CA C 54.877 0.2 1 491 50 51 LEU CB C 42.481 0.2 1 492 50 51 LEU CD1 C 23.342 0.2 2 493 50 51 LEU CD2 C 25.638 0.2 2 494 50 51 LEU CG C 26.904 0.2 1 495 50 51 LEU N N 125.236 0.1 1 496 51 52 LEU H H 9.286 0.02 1 497 51 52 LEU HA H 5.190 0.02 1 498 51 52 LEU HB2 H 1.328 0.02 2 499 51 52 LEU HB3 H 1.413 0.02 2 500 51 52 LEU HD1 H 0.884 0.02 1 501 51 52 LEU HD2 H 0.834 0.02 1 502 51 52 LEU HG H 1.503 0.02 1 503 51 52 LEU CA C 54.228 0.2 1 504 51 52 LEU CB C 42.961 0.2 1 505 51 52 LEU CD1 C 25.971 0.2 2 506 51 52 LEU CD2 C 25.971 0.2 2 507 51 52 LEU CG C 27.956 0.2 1 508 51 52 LEU N N 134.513 0.1 1 509 52 53 SER H H 7.992 0.02 1 510 52 53 SER HA H 5.233 0.02 1 511 52 53 SER HB2 H 3.737 0.02 2 512 52 53 SER HB3 H 4.116 0.02 2 513 52 53 SER CA C 56.869 0.2 1 514 52 53 SER CB C 62.776 0.2 1 515 52 53 SER N N 117.641 0.1 1 516 53 54 TYR H H 8.703 0.02 1 517 53 54 TYR HA H 5.611 0.02 1 518 53 54 TYR HB2 H 2.875 0.02 2 519 53 54 TYR HB3 H 3.060 0.02 2 520 53 54 TYR HD1 H 7.054 0.02 3 521 53 54 TYR HD2 H 7.054 0.02 3 522 53 54 TYR HE1 H 6.694 0.02 3 523 53 54 TYR HE2 H 6.694 0.02 3 524 53 54 TYR CA C 56.264 0.2 1 525 53 54 TYR CB C 40.455 0.2 1 526 53 54 TYR CD1 C 132.151 0.2 3 527 53 54 TYR CD2 C 132.151 0.2 3 528 53 54 TYR CE1 C 118.391 0.2 3 529 53 54 TYR CE2 C 118.391 0.2 3 530 53 54 TYR N N 122.503 0.1 1 531 54 55 TYR H H 9.813 0.02 1 532 54 55 TYR HA H 4.983 0.02 1 533 54 55 TYR HB2 H 2.700 0.02 2 534 54 55 TYR HB3 H 3.055 0.02 2 535 54 55 TYR HD1 H 7.088 0.02 3 536 54 55 TYR HD2 H 7.088 0.02 3 537 54 55 TYR HE1 H 6.767 0.02 3 538 54 55 TYR HE2 H 6.767 0.02 3 539 54 55 TYR CA C 56.465 0.2 1 540 54 55 TYR CB C 41.898 0.2 1 541 54 55 TYR CD1 C 133.599 0.2 3 542 54 55 TYR CD2 C 133.599 0.2 3 543 54 55 TYR CE1 C 117.666 0.2 3 544 54 55 TYR CE2 C 117.666 0.2 3 545 54 55 TYR N N 120.204 0.1 1 546 55 56 GLU H H 8.804 0.02 1 547 55 56 GLU HA H 4.913 0.02 1 548 55 56 GLU HB2 H 2.039 0.02 2 549 55 56 GLU HB3 H 2.090 0.02 2 550 55 56 GLU HG2 H 2.284 0.02 2 551 55 56 GLU HG3 H 2.344 0.02 2 552 55 56 GLU CA C 55.700 0.2 1 553 55 56 GLU CB C 31.684 0.2 1 554 55 56 GLU CG C 36.680 0.2 1 555 55 56 GLU N N 120.472 0.1 1 556 56 57 SER H H 8.580 0.02 1 557 56 57 SER HA H 4.619 0.02 1 558 56 57 SER HB2 H 3.754 0.02 2 559 56 57 SER HB3 H 3.821 0.02 2 560 56 57 SER CA C 57.332 0.2 1 561 56 57 SER CB C 64.338 0.2 1 562 56 57 SER N N 117.342 0.1 1 563 57 58 GLN H H 8.426 0.02 1 564 57 58 GLN HA H 4.482 0.02 1 565 57 58 GLN HB2 H 1.907 0.02 2 566 57 58 GLN HB3 H 2.076 0.02 2 567 57 58 GLN HG2 H 2.310 0.02 2 568 57 58 GLN CA C 55.364 0.2 1 569 57 58 GLN CB C 29.603 0.2 1 570 57 58 GLN CG C 33.421 0.2 1 571 57 58 GLN N N 121.444 0.1 1 572 58 59 HIS H H 8.481 0.02 1 573 58 59 HIS HA H 4.862 0.02 1 574 58 59 HIS HB2 H 3.039 0.02 2 575 58 59 HIS HB3 H 3.143 0.02 2 576 58 59 HIS HD2 H 7.136 0.02 1 577 58 59 HIS CA C 54.055 0.2 1 578 58 59 HIS CB C 30.237 0.2 1 579 58 59 HIS N N 122.199 0.1 1 580 59 60 PRO HA H 4.506 0.02 1 581 59 60 PRO HB2 H 1.984 0.02 2 582 59 60 PRO HB3 H 2.323 0.02 2 583 59 60 PRO HD2 H 3.403 0.02 2 584 59 60 PRO HD3 H 3.753 0.02 2 585 59 60 PRO HG2 H 1.992 0.02 2 586 59 60 PRO CA C 63.254 0.2 1 587 59 60 PRO CB C 31.829 0.2 1 588 59 60 PRO CD C 50.595 0.2 1 589 59 60 PRO CG C 26.828 0.2 1 590 61 62 ASN H H 8.465 0.02 1 591 61 62 ASN HA H 4.769 0.02 1 592 61 62 ASN HB2 H 2.889 0.02 2 593 61 62 ASN CA C 53.310 0.2 1 594 61 62 ASN CB C 38.545 0.2 1 595 61 62 ASN N N 120.049 0.1 1 596 62 63 GLU H H 8.369 0.02 1 597 62 63 GLU HA H 4.348 0.02 1 598 62 63 GLU HB2 H 1.957 0.02 2 599 62 63 GLU HB3 H 2.127 0.02 2 600 62 63 GLU HG2 H 2.233 0.02 2 601 62 63 GLU HG3 H 2.299 0.02 2 602 62 63 GLU CA C 56.828 0.2 1 603 62 63 GLU CB C 30.044 0.2 1 604 62 63 GLU CG C 36.079 0.2 1 605 62 63 GLU N N 120.260 0.1 1 606 63 64 SER H H 8.254 0.02 1 607 63 64 SER HA H 4.494 0.02 1 608 63 64 SER HB2 H 3.911 0.02 2 609 63 64 SER HB3 H 3.950 0.02 2 610 63 64 SER CA C 58.213 0.2 1 611 63 64 SER CB C 63.799 0.2 1 612 63 64 SER N N 115.291 0.1 1 613 64 65 GLY H H 8.294 0.02 1 614 64 65 GLY HA2 H 4.001 0.02 2 615 64 65 GLY CA C 45.306 0.2 1 616 64 65 GLY N N 110.364 0.1 1 617 65 66 ASP H H 8.227 0.02 1 618 65 66 ASP HA H 4.664 0.02 1 619 65 66 ASP HB2 H 2.702 0.02 2 620 65 66 ASP CA C 54.180 0.2 1 621 65 66 ASP CB C 41.160 0.2 1 622 65 66 ASP N N 119.894 0.1 1 623 66 67 GLY H H 8.379 0.02 1 624 66 67 GLY HA2 H 3.997 0.02 2 625 66 67 GLY CA C 45.216 0.2 1 626 66 67 GLY N N 108.939 0.1 1 627 67 68 VAL H H 8.008 0.02 1 628 67 68 VAL HA H 4.164 0.02 1 629 67 68 VAL HB H 2.126 0.02 1 630 67 68 VAL HG1 H 0.913 0.02 2 631 67 68 VAL HG2 H 0.942 0.02 2 632 67 68 VAL CA C 62.133 0.2 1 633 67 68 VAL CB C 32.509 0.2 1 634 67 68 VAL CG1 C 20.257 0.2 2 635 67 68 VAL CG2 C 20.757 0.2 2 636 67 68 VAL N N 118.651 0.1 1 637 68 69 ASP H H 8.441 0.02 1 638 68 69 ASP HA H 4.664 0.02 1 639 68 69 ASP HB2 H 2.680 0.02 2 640 68 69 ASP HB3 H 2.763 0.02 2 641 68 69 ASP CA C 54.211 0.2 1 642 68 69 ASP CB C 40.995 0.2 1 643 68 69 ASP N N 122.953 0.1 1 644 69 70 GLY H H 8.231 0.02 1 645 69 70 GLY HA2 H 3.980 0.02 2 646 69 70 GLY CA C 45.347 0.2 1 647 69 70 GLY N N 108.501 0.1 1 648 70 71 LYS H H 8.097 0.02 1 649 70 71 LYS HA H 4.552 0.02 1 650 70 71 LYS HB2 H 1.794 0.02 2 651 70 71 LYS HB3 H 1.853 0.02 2 652 70 71 LYS HD2 H 1.665 0.02 2 653 70 71 LYS HD3 H 1.707 0.02 2 654 70 71 LYS HE2 H 3.002 0.02 2 655 70 71 LYS HG2 H 1.408 0.02 2 656 70 71 LYS HG3 H 1.473 0.02 2 657 70 71 LYS CA C 55.514 0.2 1 658 70 71 LYS CB C 33.267 0.2 1 659 70 71 LYS CD C 28.758 0.2 1 660 70 71 LYS CE C 42.085 0.2 1 661 70 71 LYS CG C 24.758 0.2 1 662 70 71 LYS N N 120.089 0.1 1 663 71 72 MET H H 8.485 0.02 1 664 71 72 MET HA H 4.622 0.02 1 665 71 72 MET HB2 H 1.947 0.02 2 666 71 72 MET HB3 H 2.030 0.02 2 667 71 72 MET HE H 1.990 0.02 1 668 71 72 MET HG2 H 2.436 0.02 2 669 71 72 MET HG3 H 2.486 0.02 2 670 71 72 MET CA C 54.810 0.2 1 671 71 72 MET CB C 34.060 0.2 1 672 71 72 MET CE C 16.805 0.2 1 673 71 72 MET CG C 31.807 0.2 1 674 71 72 MET N N 121.815 0.1 1 675 72 73 LEU H H 8.792 0.02 1 676 72 73 LEU HA H 5.140 0.02 1 677 72 73 LEU HB2 H 1.729 0.02 2 678 72 73 LEU HB3 H 1.882 0.02 2 679 72 73 LEU HD1 H 1.019 0.02 1 680 72 73 LEU HD2 H 0.979 0.02 1 681 72 73 LEU HG H 1.790 0.02 1 682 72 73 LEU CA C 53.671 0.2 1 683 72 73 LEU CB C 44.258 0.2 1 684 72 73 LEU CD1 C 24.983 0.2 2 685 72 73 LEU CD2 C 24.238 0.2 2 686 72 73 LEU CG C 27.012 0.2 1 687 72 73 LEU N N 124.871 0.1 1 688 73 74 MET H H 9.089 0.02 1 689 73 74 MET HA H 5.741 0.02 1 690 73 74 MET HB2 H 2.102 0.02 2 691 73 74 MET HE H 1.763 0.02 1 692 73 74 MET HG2 H 2.456 0.02 2 693 73 74 MET HG3 H 2.545 0.02 2 694 73 74 MET CA C 53.328 0.2 1 695 73 74 MET CB C 36.526 0.2 1 696 73 74 MET CE C 16.884 0.2 1 697 73 74 MET CG C 32.573 0.2 1 698 73 74 MET N N 119.200 0.1 1 699 74 75 VAL H H 10.046 0.02 1 700 74 75 VAL HA H 6.298 0.02 1 701 74 75 VAL HB H 2.101 0.02 1 702 74 75 VAL HG1 H 0.784 0.02 2 703 74 75 VAL HG2 H 0.917 0.02 2 704 74 75 VAL CA C 58.377 0.2 1 705 74 75 VAL CB C 36.528 0.2 1 706 74 75 VAL CG1 C 21.732 0.2 2 707 74 75 VAL CG2 C 20.463 0.2 2 708 74 75 VAL N N 116.505 0.1 1 709 75 76 THR H H 8.519 0.02 1 710 75 76 THR HA H 4.978 0.02 1 711 75 76 THR HB H 4.391 0.02 1 712 75 76 THR HG2 H 0.299 0.02 1 713 75 76 THR CA C 59.451 0.2 1 714 75 76 THR CB C 71.755 0.2 1 715 75 76 THR CG2 C 20.154 0.2 1 716 75 76 THR N N 111.166 0.1 1 717 76 77 LEU H H 10.195 0.02 1 718 76 77 LEU HA H 5.175 0.02 1 719 76 77 LEU HB2 H 0.976 0.02 2 720 76 77 LEU HB3 H 1.545 0.02 2 721 76 77 LEU HD1 H 0.220 0.02 2 722 76 77 LEU HD2 H 0.244 0.02 2 723 76 77 LEU HG H 1.353 0.02 1 724 76 77 LEU CA C 55.214 0.2 1 725 76 77 LEU CB C 45.718 0.2 1 726 76 77 LEU CD1 C 25.712 0.2 2 727 76 77 LEU CD2 C 25.708 0.2 2 728 76 77 LEU CG C 27.715 0.2 1 729 76 77 LEU N N 121.235 0.1 1 730 77 78 SER H H 8.596 0.02 1 731 77 78 SER HA H 5.427 0.02 1 732 77 78 SER HB2 H 2.449 0.02 2 733 77 78 SER HB3 H 3.247 0.02 2 734 77 78 SER HG H 4.437 0.02 1 735 77 78 SER CA C 52.060 0.2 1 736 77 78 SER CB C 63.768 0.2 1 737 77 78 SER N N 116.108 0.1 1 738 78 79 PRO HA H 4.257 0.02 1 739 78 79 PRO HB2 H 0.951 0.02 2 740 78 79 PRO HB3 H 1.246 0.02 2 741 78 79 PRO HD2 H 3.128 0.02 2 742 78 79 PRO HD3 H 3.443 0.02 2 743 78 79 PRO HG2 H 0.973 0.02 2 744 78 79 PRO HG3 H 1.260 0.02 2 745 78 79 PRO CA C 62.972 0.2 1 746 78 79 PRO CB C 31.667 0.2 1 747 78 79 PRO CD C 49.694 0.2 1 748 78 79 PRO CG C 27.166 0.2 1 749 79 80 THR H H 6.796 0.02 1 750 79 80 THR HA H 4.204 0.02 1 751 79 80 THR HB H 3.917 0.02 1 752 79 80 THR HG1 H 4.427 0.02 1 753 79 80 THR HG2 H 0.740 0.02 1 754 79 80 THR CA C 60.016 0.2 1 755 79 80 THR CB C 68.509 0.2 1 756 79 80 THR CG2 C 19.613 0.2 1 757 79 80 THR N N 110.183 0.1 1 758 80 81 LYS H H 7.638 0.02 1 759 80 81 LYS HA H 3.744 0.02 1 760 80 81 LYS HB2 H 1.686 0.02 2 761 80 81 LYS HB3 H 1.753 0.02 2 762 80 81 LYS HD2 H 1.725 0.02 2 763 80 81 LYS HE2 H 3.054 0.02 2 764 80 81 LYS HG2 H 1.367 0.02 2 765 80 81 LYS CA C 58.578 0.2 1 766 80 81 LYS CB C 32.325 0.2 1 767 80 81 LYS CD C 28.825 0.2 1 768 80 81 LYS CE C 41.826 0.2 1 769 80 81 LYS CG C 24.074 0.2 1 770 80 81 LYS N N 124.973 0.1 1 771 81 82 ASP H H 8.255 0.02 1 772 81 82 ASP HA H 4.277 0.02 1 773 81 82 ASP HB2 H 2.979 0.02 2 774 81 82 ASP HB3 H 3.199 0.02 2 775 81 82 ASP CA C 57.378 0.2 1 776 81 82 ASP CB C 39.348 0.2 1 777 81 82 ASP N N 117.344 0.1 1 778 82 83 PHE H H 7.880 0.02 1 779 82 83 PHE HA H 5.243 0.02 1 780 82 83 PHE HB2 H 2.180 0.02 2 781 82 83 PHE HB3 H 2.677 0.02 2 782 82 83 PHE HD1 H 6.923 0.02 3 783 82 83 PHE HD2 H 6.923 0.02 3 784 82 83 PHE HE1 H 7.195 0.02 3 785 82 83 PHE HE2 H 7.195 0.02 3 786 82 83 PHE HZ H 7.230 0.02 1 787 82 83 PHE CA C 56.927 0.2 1 788 82 83 PHE CB C 41.679 0.2 1 789 82 83 PHE CD1 C 131.427 0.2 3 790 82 83 PHE CD2 C 131.427 0.2 3 791 82 83 PHE CE1 C 131.427 0.2 3 792 82 83 PHE CE2 C 131.427 0.2 3 793 82 83 PHE N N 115.687 0.1 1 794 83 84 TRP H H 8.718 0.02 1 795 83 84 TRP HA H 5.445 0.02 1 796 83 84 TRP HB2 H 2.930 0.02 2 797 83 84 TRP HB3 H 3.549 0.02 2 798 83 84 TRP HD1 H 7.142 0.02 1 799 83 84 TRP HE1 H 9.675 0.02 1 800 83 84 TRP HE3 H 7.463 0.02 1 801 83 84 TRP HH2 H 7.230 0.02 1 802 83 84 TRP HZ2 H 7.484 0.02 1 803 83 84 TRP HZ3 H 7.145 0.02 1 804 83 84 TRP CA C 57.105 0.2 1 805 83 84 TRP CB C 33.602 0.2 1 806 83 84 TRP CD1 C 126.727 0.2 1 807 83 84 TRP CE3 C 121.288 0.2 1 808 83 84 TRP CH2 C 123.948 0.2 1 809 83 84 TRP CZ2 C 113.506 0.2 1 810 83 84 TRP N N 119.999 0.1 1 811 83 84 TRP NE1 N 128.038 0.1 1 812 84 85 LEU H H 8.738 0.02 1 813 84 85 LEU HA H 4.802 0.02 1 814 84 85 LEU HB2 H 1.565 0.02 2 815 84 85 LEU HB3 H 1.645 0.02 2 816 84 85 LEU HD1 H 0.654 0.02 1 817 84 85 LEU HD2 H 0.575 0.02 1 818 84 85 LEU HG H 1.529 0.02 1 819 84 85 LEU CA C 56.224 0.2 1 820 84 85 LEU CB C 42.532 0.2 1 821 84 85 LEU CD1 C 24.459 0.2 2 822 84 85 LEU CD2 C 24.953 0.2 2 823 84 85 LEU CG C 28.224 0.2 1 824 84 85 LEU N N 123.889 0.1 1 825 85 86 HIS H H 9.563 0.02 1 826 85 86 HIS HA H 5.027 0.02 1 827 85 86 HIS HB2 H 2.863 0.02 2 828 85 86 HIS HB3 H 2.960 0.02 2 829 85 86 HIS HD2 H 6.710 0.02 1 830 85 86 HIS HE1 H 7.628 0.02 1 831 85 86 HIS CA C 54.704 0.2 1 832 85 86 HIS CB C 33.214 0.2 1 833 85 86 HIS CE1 C 138.669 0.2 1 834 85 86 HIS N N 121.782 0.1 1 835 86 87 ALA H H 8.544 0.02 1 836 86 87 ALA HA H 4.614 0.02 1 837 86 87 ALA HB H 1.563 0.02 1 838 86 87 ALA CA C 52.098 0.2 1 839 86 87 ALA CB C 20.690 0.2 1 840 86 87 ALA N N 125.230 0.1 1 841 87 88 ASN H H 8.846 0.02 1 842 87 88 ASN HA H 4.862 0.02 1 843 87 88 ASN HB2 H 2.346 0.02 2 844 87 88 ASN HB3 H 3.650 0.02 2 845 87 88 ASN CA C 51.444 0.2 1 846 87 88 ASN CB C 37.171 0.2 1 847 87 88 ASN N N 121.260 0.1 1 848 88 89 ASN H H 8.638 0.02 1 849 88 89 ASN HA H 4.284 0.02 1 850 88 89 ASN HB2 H 2.702 0.02 2 851 88 89 ASN HB3 H 2.854 0.02 2 852 88 89 ASN CA C 55.788 0.2 1 853 88 89 ASN CB C 37.818 0.2 1 854 88 89 ASN N N 121.570 0.1 1 855 89 90 LYS H H 8.196 0.02 1 856 89 90 LYS HA H 4.101 0.02 1 857 89 90 LYS HB2 H 1.936 0.02 2 858 89 90 LYS HB3 H 1.987 0.02 2 859 89 90 LYS HD2 H 1.748 0.02 2 860 89 90 LYS HE2 H 3.057 0.02 2 861 89 90 LYS HG2 H 1.474 0.02 2 862 89 90 LYS HG3 H 1.554 0.02 2 863 89 90 LYS CA C 58.402 0.2 1 864 89 90 LYS CB C 32.018 0.2 1 865 89 90 LYS CD C 28.758 0.2 1 866 89 90 LYS CE C 42.085 0.2 1 867 89 90 LYS CG C 24.758 0.2 1 868 89 90 LYS N N 119.566 0.1 1 869 90 91 GLU H H 6.917 0.02 1 870 90 91 GLU HA H 4.378 0.02 1 871 90 91 GLU HB2 H 1.596 0.02 2 872 90 91 GLU HB3 H 2.322 0.02 2 873 90 91 GLU HG2 H 2.162 0.02 2 874 90 91 GLU HG3 H 2.294 0.02 2 875 90 91 GLU CA C 54.864 0.2 1 876 90 91 GLU CB C 29.597 0.2 1 877 90 91 GLU CG C 36.126 0.2 1 878 90 91 GLU N N 114.145 0.1 1 879 91 92 HIS H H 7.738 0.02 1 880 91 92 HIS HA H 4.181 0.02 1 881 91 92 HIS HB2 H 3.586 0.02 2 882 91 92 HIS HB3 H 3.657 0.02 2 883 91 92 HIS HD2 H 7.127 0.02 1 884 91 92 HIS CA C 57.189 0.2 1 885 91 92 HIS CB C 26.154 0.2 1 886 91 92 HIS N N 115.238 0.1 1 887 92 93 SER H H 8.415 0.02 1 888 92 93 SER HA H 5.185 0.02 1 889 92 93 SER HB2 H 3.761 0.02 2 890 92 93 SER HB3 H 4.080 0.02 2 891 92 93 SER CA C 56.374 0.2 1 892 92 93 SER CB C 67.005 0.2 1 893 92 93 SER N N 113.966 0.1 1 894 93 94 VAL H H 8.251 0.02 1 895 93 94 VAL HA H 4.868 0.02 1 896 93 94 VAL HB H 1.837 0.02 1 897 93 94 VAL HG1 H 0.817 0.02 1 898 93 94 VAL HG2 H 0.777 0.02 1 899 93 94 VAL CA C 60.478 0.2 1 900 93 94 VAL CB C 33.120 0.2 1 901 93 94 VAL CG1 C 22.169 0.2 2 902 93 94 VAL CG2 C 21.446 0.2 2 903 93 94 VAL N N 116.256 0.1 1 904 94 95 GLU H H 8.904 0.02 1 905 94 95 GLU HA H 4.878 0.02 1 906 94 95 GLU HB2 H 1.874 0.02 2 907 94 95 GLU HB3 H 2.031 0.02 2 908 94 95 GLU HG2 H 2.201 0.02 2 909 94 95 GLU HG3 H 2.415 0.02 2 910 94 95 GLU CA C 53.455 0.2 1 911 94 95 GLU CB C 34.430 0.2 1 912 94 95 GLU CG C 35.698 0.2 1 913 94 95 GLU N N 122.142 0.1 1 914 95 96 LEU H H 8.237 0.02 1 915 95 96 LEU HA H 4.974 0.02 1 916 95 96 LEU HB2 H 1.285 0.02 2 917 95 96 LEU HB3 H 1.410 0.02 2 918 95 96 LEU HD1 H 0.622 0.02 1 919 95 96 LEU HD2 H 0.569 0.02 1 920 95 96 LEU HG H 1.464 0.02 1 921 95 96 LEU CA C 53.731 0.2 1 922 95 96 LEU CB C 43.478 0.2 1 923 95 96 LEU CD1 C 25.339 0.2 2 924 95 96 LEU CD2 C 24.841 0.2 2 925 95 96 LEU CG C 26.983 0.2 1 926 95 96 LEU N N 121.305 0.1 1 927 96 97 HIS H H 8.294 0.02 1 928 96 97 HIS HA H 4.947 0.02 1 929 96 97 HIS HB2 H 2.221 0.02 2 930 96 97 HIS HB3 H 2.886 0.02 2 931 96 97 HIS HD2 H 6.370 0.02 1 932 96 97 HIS CA C 54.144 0.2 1 933 96 97 HIS CB C 33.344 0.2 1 934 96 97 HIS N N 119.193 0.1 1 935 97 98 LYS H H 8.582 0.02 1 936 97 98 LYS HA H 4.564 0.02 1 937 97 98 LYS HB2 H 0.733 0.02 2 938 97 98 LYS HB3 H 1.376 0.02 2 939 97 98 LYS HD2 H 1.472 0.02 2 940 97 98 LYS HD3 H 1.499 0.02 2 941 97 98 LYS HE2 H 2.864 0.02 2 942 97 98 LYS HG2 H 0.745 0.02 2 943 97 98 LYS HG3 H 0.929 0.02 2 944 97 98 LYS CA C 55.190 0.2 1 945 97 98 LYS CB C 31.941 0.2 1 946 97 98 LYS CD C 28.947 0.2 1 947 97 98 LYS CE C 41.907 0.2 1 948 97 98 LYS CG C 24.446 0.2 1 949 97 98 LYS N N 127.478 0.1 1 950 98 99 CYS H H 8.695 0.02 1 951 98 99 CYS HA H 4.822 0.02 1 952 98 99 CYS HB2 H 2.857 0.02 2 953 98 99 CYS HB3 H 2.952 0.02 2 954 98 99 CYS CA C 57.391 0.2 1 955 98 99 CYS CB C 30.916 0.2 1 956 98 99 CYS N N 122.622 0.1 1 957 99 100 GLU H H 8.251 0.02 1 958 99 100 GLU HA H 4.513 0.02 1 959 99 100 GLU HB2 H 1.843 0.02 2 960 99 100 GLU HB3 H 2.111 0.02 2 961 99 100 GLU HG2 H 2.280 0.02 2 962 99 100 GLU CA C 54.674 0.2 1 963 99 100 GLU CB C 31.421 0.2 1 964 99 100 GLU CG C 36.421 0.2 1 965 99 100 GLU N N 121.252 0.1 1 966 100 101 LYS H H 8.195 0.02 1 967 100 101 LYS HA H 3.953 0.02 1 968 100 101 LYS HB2 H 1.688 0.02 2 969 100 101 LYS HB3 H 1.739 0.02 2 970 100 101 LYS HD2 H 1.719 0.02 2 971 100 101 LYS HE2 H 2.987 0.02 2 972 100 101 LYS HE3 H 3.061 0.02 2 973 100 101 LYS HG2 H 1.183 0.02 2 974 100 101 LYS HG3 H 1.527 0.02 2 975 100 101 LYS CA C 55.042 0.2 1 976 100 101 LYS CB C 31.473 0.2 1 977 100 101 LYS CD C 29.200 0.2 1 978 100 101 LYS CE C 41.940 0.2 1 979 100 101 LYS CG C 25.315 0.2 1 980 100 101 LYS N N 118.588 0.1 1 981 101 102 PRO HA H 4.447 0.02 1 982 101 102 PRO HB2 H 2.059 0.02 2 983 101 102 PRO HB3 H 2.331 0.02 2 984 101 102 PRO HD2 H 3.494 0.02 2 985 101 102 PRO HD3 H 3.570 0.02 2 986 101 102 PRO HG2 H 1.872 0.02 2 987 101 102 PRO HG3 H 1.940 0.02 2 988 101 102 PRO CA C 61.513 0.2 1 989 101 102 PRO CB C 34.073 0.2 1 990 101 102 PRO CD C 50.575 0.2 1 991 101 102 PRO CG C 24.572 0.2 1 992 102 103 LEU H H 8.384 0.02 1 993 102 103 LEU HA H 4.175 0.02 1 994 102 103 LEU HB2 H 0.808 0.02 2 995 102 103 LEU HB3 H 1.369 0.02 2 996 102 103 LEU HD1 H -0.343 0.02 1 997 102 103 LEU HD2 H -0.475 0.02 1 998 102 103 LEU HG H 1.003 0.02 1 999 102 103 LEU CA C 52.733 0.2 1 1000 102 103 LEU CB C 41.000 0.2 1 1001 102 103 LEU CD1 C 23.807 0.2 2 1002 102 103 LEU CD2 C 21.168 0.2 2 1003 102 103 LEU CG C 26.724 0.2 1 1004 102 103 LEU N N 123.679 0.1 1 1005 103 104 PRO HA H 4.658 0.02 1 1006 103 104 PRO HB2 H 2.282 0.02 2 1007 103 104 PRO HB3 H 2.383 0.02 2 1008 103 104 PRO HD2 H 3.298 0.02 2 1009 103 104 PRO HD3 H 3.889 0.02 2 1010 103 104 PRO HG2 H 1.829 0.02 2 1011 103 104 PRO HG3 H 2.314 0.02 2 1012 103 104 PRO CA C 61.564 0.2 1 1013 103 104 PRO CB C 32.310 0.2 1 1014 103 104 PRO CD C 50.063 0.2 1 1015 103 104 PRO CG C 27.060 0.2 1 1016 104 105 ASP H H 8.605 0.02 1 1017 104 105 ASP HA H 4.275 0.02 1 1018 104 105 ASP HB2 H 2.368 0.02 2 1019 104 105 ASP HB3 H 2.421 0.02 2 1020 104 105 ASP CA C 57.659 0.2 1 1021 104 105 ASP CB C 40.754 0.2 1 1022 104 105 ASP N N 119.037 0.1 1 1023 105 106 GLN H H 8.330 0.02 1 1024 105 106 GLN HA H 4.189 0.02 1 1025 105 106 GLN HB2 H 1.976 0.02 2 1026 105 106 GLN HB3 H 2.327 0.02 2 1027 105 106 GLN HG2 H 2.524 0.02 2 1028 105 106 GLN HG3 H 2.591 0.02 2 1029 105 106 GLN CA C 58.516 0.2 1 1030 105 106 GLN CB C 27.206 0.2 1 1031 105 106 GLN CG C 34.958 0.2 1 1032 105 106 GLN N N 113.235 0.1 1 1033 106 107 ALA H H 7.763 0.02 1 1034 106 107 ALA HA H 4.862 0.02 1 1035 106 107 ALA HB H 0.868 0.02 1 1036 106 107 ALA CA C 50.856 0.2 1 1037 106 107 ALA CB C 18.420 0.2 1 1038 106 107 ALA N N 121.188 0.1 1 1039 107 108 PHE H H 7.291 0.02 1 1040 107 108 PHE HA H 4.675 0.02 1 1041 107 108 PHE HB2 H 2.573 0.02 2 1042 107 108 PHE HB3 H 2.918 0.02 2 1043 107 108 PHE HD1 H 6.900 0.02 3 1044 107 108 PHE HD2 H 6.900 0.02 3 1045 107 108 PHE HE1 H 6.184 0.02 3 1046 107 108 PHE HE2 H 6.184 0.02 3 1047 107 108 PHE HZ H 6.596 0.02 1 1048 107 108 PHE CA C 57.225 0.2 1 1049 107 108 PHE CB C 41.449 0.2 1 1050 107 108 PHE CD1 C 131.427 0.2 3 1051 107 108 PHE CD2 C 131.427 0.2 3 1052 107 108 PHE CE1 C 131.427 0.2 3 1053 107 108 PHE CE2 C 131.427 0.2 3 1054 107 108 PHE CZ C 129.254 0.2 1 1055 107 108 PHE N N 114.254 0.1 1 1056 108 109 PHE H H 9.089 0.02 1 1057 108 109 PHE HA H 5.216 0.02 1 1058 108 109 PHE HB2 H 2.764 0.02 2 1059 108 109 PHE HB3 H 2.931 0.02 2 1060 108 109 PHE HD1 H 6.973 0.02 3 1061 108 109 PHE HD2 H 6.973 0.02 3 1062 108 109 PHE HE1 H 7.161 0.02 3 1063 108 109 PHE HE2 H 7.161 0.02 3 1064 108 109 PHE HZ H 6.848 0.02 1 1065 108 109 PHE CA C 55.752 0.2 1 1066 108 109 PHE CB C 41.744 0.2 1 1067 108 109 PHE CD1 C 132.151 0.2 3 1068 108 109 PHE CD2 C 132.151 0.2 3 1069 108 109 PHE CE1 C 131.427 0.2 3 1070 108 109 PHE CE2 C 131.427 0.2 3 1071 108 109 PHE CZ C 127.806 0.2 1 1072 108 109 PHE N N 119.202 0.1 1 1073 109 110 VAL H H 10.389 0.02 1 1074 109 110 VAL HA H 4.299 0.02 1 1075 109 110 VAL HB H 2.144 0.02 1 1076 109 110 VAL HG1 H 0.796 0.02 1 1077 109 110 VAL HG2 H 0.938 0.02 1 1078 109 110 VAL CA C 62.758 0.2 1 1079 109 110 VAL CB C 33.099 0.2 1 1080 109 110 VAL CG1 C 21.167 0.2 2 1081 109 110 VAL CG2 C 21.171 0.2 2 1082 109 110 VAL N N 125.234 0.1 1 1083 110 111 LEU H H 8.568 0.02 1 1084 110 111 LEU HA H 4.872 0.02 1 1085 110 111 LEU HB2 H 1.352 0.02 2 1086 110 111 LEU HB3 H 1.937 0.02 2 1087 110 111 LEU HD1 H 0.854 0.02 1 1088 110 111 LEU HD2 H 0.929 0.02 1 1089 110 111 LEU HG H 1.467 0.02 1 1090 110 111 LEU CA C 54.077 0.2 1 1091 110 111 LEU CB C 43.562 0.2 1 1092 110 111 LEU CD1 C 24.887 0.2 2 1093 110 111 LEU CD2 C 25.913 0.2 2 1094 110 111 LEU CG C 27.386 0.2 1 1095 110 111 LEU N N 130.826 0.1 1 1096 111 112 HIS H H 9.070 0.02 1 1097 111 112 HIS HA H 4.917 0.02 1 1098 111 112 HIS HB2 H 3.041 0.02 2 1099 111 112 HIS HB3 H 3.316 0.02 2 1100 111 112 HIS HD2 H 7.232 0.02 1 1101 111 112 HIS CA C 54.229 0.2 1 1102 111 112 HIS CB C 31.745 0.2 1 1103 111 112 HIS N N 124.953 0.1 1 1104 112 113 ASN H H 9.018 0.02 1 1105 112 113 ASN HA H 4.912 0.02 1 1106 112 113 ASN HB2 H 2.772 0.02 2 1107 112 113 ASN HB3 H 2.909 0.02 2 1108 112 113 ASN CA C 54.151 0.2 1 1109 112 113 ASN CB C 38.868 0.2 1 1110 112 113 ASN N N 122.645 0.1 1 1111 113 114 MET H H 8.314 0.02 1 1112 113 114 MET HA H 4.891 0.02 1 1113 113 114 MET HB2 H 1.527 0.02 2 1114 113 114 MET HB3 H 1.920 0.02 2 1115 113 114 MET HE H 1.944 0.02 1 1116 113 114 MET HG2 H 2.439 0.02 2 1117 113 114 MET HG3 H 2.599 0.02 2 1118 113 114 MET CA C 53.171 0.2 1 1119 113 114 MET CB C 32.922 0.2 1 1120 113 114 MET CE C 16.935 0.2 1 1121 113 114 MET CG C 31.171 0.2 1 1122 113 114 MET N N 123.103 0.1 1 1123 114 115 HIS H H 7.453 0.02 1 1124 114 115 HIS HA H 4.664 0.02 1 1125 114 115 HIS HB2 H 3.205 0.02 2 1126 114 115 HIS HB3 H 3.320 0.02 2 1127 114 115 HIS HD2 H 7.105 0.02 1 1128 114 115 HIS CA C 55.572 0.2 1 1129 114 115 HIS CB C 30.856 0.2 1 1130 114 115 HIS N N 115.450 0.1 1 1131 115 116 SER HB2 H 4.124 0.02 2 1132 115 116 SER CB C 61.131 0.2 1 1133 116 117 ASN H H 8.912 0.02 1 1134 116 117 ASN HA H 4.556 0.02 1 1135 116 117 ASN HB2 H 3.054 0.02 2 1136 116 117 ASN HB3 H 3.193 0.02 2 1137 116 117 ASN CA C 54.106 0.2 1 1138 116 117 ASN CB C 37.615 0.2 1 1139 116 117 ASN N N 113.703 0.1 1 1140 117 118 CYS H H 7.532 0.02 1 1141 117 118 CYS HA H 5.316 0.02 1 1142 117 118 CYS HB2 H 2.772 0.02 2 1143 117 118 CYS HB3 H 3.005 0.02 2 1144 117 118 CYS CA C 58.639 0.2 1 1145 117 118 CYS CB C 30.949 0.2 1 1146 117 118 CYS N N 115.213 0.1 1 1147 118 119 VAL H H 9.617 0.02 1 1148 118 119 VAL HA H 5.397 0.02 1 1149 118 119 VAL HB H 1.964 0.02 1 1150 118 119 VAL HG1 H 0.935 0.02 1 1151 118 119 VAL HG2 H 0.506 0.02 1 1152 118 119 VAL CA C 58.788 0.2 1 1153 118 119 VAL CB C 35.745 0.2 1 1154 118 119 VAL CG1 C 21.730 0.2 2 1155 118 119 VAL CG2 C 18.419 0.2 2 1156 118 119 VAL N N 116.144 0.1 1 1157 119 120 SER H H 8.578 0.02 1 1158 119 120 SER HA H 5.089 0.02 1 1159 119 120 SER HB2 H 3.843 0.02 2 1160 119 120 SER HB3 H 4.180 0.02 2 1161 119 120 SER CA C 57.311 0.2 1 1162 119 120 SER CB C 67.751 0.2 1 1163 119 120 SER N N 113.930 0.1 1 1164 120 121 PHE H H 10.612 0.02 1 1165 120 121 PHE HA H 5.365 0.02 1 1166 120 121 PHE HB2 H 2.562 0.02 2 1167 120 121 PHE HB3 H 2.799 0.02 2 1168 120 121 PHE HD1 H 6.877 0.02 3 1169 120 121 PHE HD2 H 6.877 0.02 3 1170 120 121 PHE HE1 H 6.717 0.02 3 1171 120 121 PHE HE2 H 6.717 0.02 3 1172 120 121 PHE CA C 55.797 0.2 1 1173 120 121 PHE CB C 41.542 0.2 1 1174 120 121 PHE CD1 C 131.427 0.2 3 1175 120 121 PHE CD2 C 131.427 0.2 3 1176 120 121 PHE CE1 C 129.978 0.2 3 1177 120 121 PHE CE2 C 129.978 0.2 3 1178 120 121 PHE N N 120.777 0.1 1 1179 121 122 GLU H H 9.509 0.02 1 1180 121 122 GLU HA H 4.537 0.02 1 1181 121 122 GLU HB2 H 1.396 0.02 2 1182 121 122 GLU HB3 H 2.180 0.02 2 1183 121 122 GLU HG2 H 1.267 0.02 2 1184 121 122 GLU HG3 H 2.196 0.02 2 1185 121 122 GLU CA C 53.200 0.2 1 1186 121 122 GLU CB C 32.943 0.2 1 1187 121 122 GLU CG C 34.948 0.2 1 1188 121 122 GLU N N 126.070 0.1 1 1189 122 123 CYS H H 9.405 0.02 1 1190 122 123 CYS HA H 4.065 0.02 1 1191 122 123 CYS HB2 H 3.025 0.02 2 1192 122 123 CYS HB3 H 3.197 0.02 2 1193 122 123 CYS CA C 61.504 0.2 1 1194 122 123 CYS CB C 27.626 0.2 1 1195 122 123 CYS N N 127.122 0.1 1 1196 123 124 LYS H H 7.533 0.02 1 1197 123 124 LYS HA H 3.831 0.02 1 1198 123 124 LYS HB2 H 1.594 0.02 2 1199 123 124 LYS HB3 H 1.707 0.02 2 1200 123 124 LYS HD2 H 1.342 0.02 2 1201 123 124 LYS HD3 H 1.518 0.02 2 1202 123 124 LYS HE2 H 2.689 0.02 2 1203 123 124 LYS HG2 H 1.229 0.02 2 1204 123 124 LYS CA C 59.245 0.2 1 1205 123 124 LYS CB C 32.946 0.2 1 1206 123 124 LYS CD C 29.197 0.2 1 1207 123 124 LYS CE C 41.842 0.2 1 1208 123 124 LYS CG C 24.946 0.2 1 1209 123 124 LYS N N 125.643 0.1 1 1210 124 125 THR H H 8.020 0.02 1 1211 124 125 THR HA H 4.216 0.02 1 1212 124 125 THR HB H 4.441 0.02 1 1213 124 125 THR HG2 H 1.071 0.02 1 1214 124 125 THR CA C 61.424 0.2 1 1215 124 125 THR CB C 68.505 0.2 1 1216 124 125 THR CG2 C 22.169 0.2 1 1217 124 125 THR N N 102.851 0.1 1 1218 125 126 ASP H H 6.456 0.02 1 1219 125 126 ASP HA H 5.125 0.02 1 1220 125 126 ASP HB2 H 2.115 0.02 2 1221 125 126 ASP HB3 H 2.693 0.02 2 1222 125 126 ASP CA C 51.060 0.2 1 1223 125 126 ASP CB C 42.308 0.2 1 1224 125 126 ASP N N 119.891 0.1 1 1225 126 127 PRO HA H 4.366 0.02 1 1226 126 127 PRO HB2 H 1.883 0.02 2 1227 126 127 PRO HB3 H 2.338 0.02 2 1228 126 127 PRO HD2 H 3.428 0.02 2 1229 126 127 PRO HD3 H 3.738 0.02 2 1230 126 127 PRO HG2 H 1.999 0.02 2 1231 126 127 PRO HG3 H 2.081 0.02 2 1232 126 127 PRO CA C 63.377 0.2 1 1233 126 127 PRO CB C 31.816 0.2 1 1234 126 127 PRO CD C 50.063 0.2 1 1235 126 127 PRO CG C 27.060 0.2 1 1236 127 128 GLY H H 10.553 0.02 1 1237 127 128 GLY HA2 H 3.775 0.02 2 1238 127 128 GLY HA3 H 4.318 0.02 2 1239 127 128 GLY CA C 44.954 0.2 1 1240 127 128 GLY N N 113.361 0.1 1 1241 128 129 VAL H H 7.846 0.02 1 1242 128 129 VAL HA H 4.794 0.02 1 1243 128 129 VAL HB H 2.354 0.02 1 1244 128 129 VAL HG1 H 0.821 0.02 1 1245 128 129 VAL HG2 H 0.962 0.02 1 1246 128 129 VAL CA C 61.754 0.2 1 1247 128 129 VAL CB C 31.449 0.2 1 1248 128 129 VAL CG1 C 21.439 0.2 2 1249 128 129 VAL CG2 C 24.189 0.2 2 1250 128 129 VAL N N 121.005 0.1 1 1251 129 130 PHE H H 9.293 0.02 1 1252 129 130 PHE HA H 5.819 0.02 1 1253 129 130 PHE HB2 H 2.818 0.02 2 1254 129 130 PHE HB3 H 3.493 0.02 2 1255 129 130 PHE HD1 H 7.336 0.02 3 1256 129 130 PHE HD2 H 7.336 0.02 3 1257 129 130 PHE HE1 H 6.999 0.02 3 1258 129 130 PHE HE2 H 6.999 0.02 3 1259 129 130 PHE HZ H 6.823 0.02 1 1260 129 130 PHE CA C 55.600 0.2 1 1261 129 130 PHE CB C 42.773 0.2 1 1262 129 130 PHE CD1 C 132.625 0.2 3 1263 129 130 PHE CD2 C 132.625 0.2 3 1264 129 130 PHE CE1 C 130.702 0.2 3 1265 129 130 PHE CE2 C 130.702 0.2 3 1266 129 130 PHE CZ C 129.254 0.2 1 1267 129 130 PHE N N 126.384 0.1 1 1268 130 131 ILE H H 8.555 0.02 1 1269 130 131 ILE HA H 4.375 0.02 1 1270 130 131 ILE HB H 1.832 0.02 1 1271 130 131 ILE HD1 H -0.471 0.02 1 1272 130 131 ILE HG12 H 0.568 0.02 2 1273 130 131 ILE HG13 H 1.513 0.02 2 1274 130 131 ILE HG2 H 0.818 0.02 1 1275 130 131 ILE CA C 63.278 0.2 1 1276 130 131 ILE CB C 37.850 0.2 1 1277 130 131 ILE CD1 C 10.418 0.2 1 1278 130 131 ILE CG1 C 27.792 0.2 1 1279 130 131 ILE CG2 C 17.811 0.2 1 1280 130 131 ILE N N 118.433 0.1 1 1281 131 132 GLY H H 9.225 0.02 1 1282 131 132 GLY HA2 H 3.693 0.02 2 1283 131 132 GLY HA3 H 5.248 0.02 2 1284 131 132 GLY CA C 45.218 0.2 1 1285 131 132 GLY N N 113.442 0.1 1 1286 132 133 VAL H H 8.177 0.02 1 1287 132 133 VAL HA H 4.710 0.02 1 1288 132 133 VAL HB H 1.988 0.02 1 1289 132 133 VAL HG1 H 0.961 0.02 1 1290 132 133 VAL HG2 H 0.983 0.02 1 1291 132 133 VAL CA C 61.537 0.2 1 1292 132 133 VAL CB C 33.281 0.2 1 1293 132 133 VAL CG1 C 21.533 0.2 2 1294 132 133 VAL CG2 C 21.851 0.2 2 1295 132 133 VAL N N 118.438 0.1 1 1296 133 134 LYS H H 8.752 0.02 1 1297 133 134 LYS HA H 4.472 0.02 1 1298 133 134 LYS HB2 H 1.491 0.02 2 1299 133 134 LYS HB3 H 1.638 0.02 2 1300 133 134 LYS HD2 H 1.706 0.02 2 1301 133 134 LYS HE2 H 3.024 0.02 2 1302 133 134 LYS HG2 H 1.316 0.02 2 1303 133 134 LYS HG3 H 1.387 0.02 2 1304 133 134 LYS CA C 55.257 0.2 1 1305 133 134 LYS CB C 35.500 0.2 1 1306 133 134 LYS CD C 28.748 0.2 1 1307 133 134 LYS CE C 42.000 0.2 1 1308 133 134 LYS CG C 24.498 0.2 1 1309 133 134 LYS N N 127.706 0.1 1 1310 134 135 ASP H H 9.321 0.02 1 1311 134 135 ASP HA H 4.230 0.02 1 1312 134 135 ASP HB2 H 2.839 0.02 2 1313 134 135 ASP HB3 H 2.933 0.02 2 1314 134 135 ASP CA C 55.965 0.2 1 1315 134 135 ASP CB C 39.212 0.2 1 1316 134 135 ASP N N 126.815 0.1 1 1317 135 136 ASN H H 8.603 0.02 1 1318 135 136 ASN HA H 4.380 0.02 1 1319 135 136 ASN HB2 H 3.047 0.02 2 1320 135 136 ASN HB3 H 3.089 0.02 2 1321 135 136 ASN CA C 54.117 0.2 1 1322 135 136 ASN CB C 37.384 0.2 1 1323 135 136 ASN N N 113.023 0.1 1 1324 136 137 HIS H H 8.112 0.02 1 1325 136 137 HIS HA H 5.116 0.02 1 1326 136 137 HIS HB2 H 3.352 0.02 2 1327 136 137 HIS HB3 H 3.590 0.02 2 1328 136 137 HIS HD2 H 7.533 0.02 1 1329 136 137 HIS CA C 54.190 0.2 1 1330 136 137 HIS CB C 31.681 0.2 1 1331 136 137 HIS N N 115.753 0.1 1 1332 137 138 LEU H H 8.553 0.02 1 1333 137 138 LEU HA H 5.251 0.02 1 1334 137 138 LEU HB2 H 1.427 0.02 2 1335 137 138 LEU HB3 H 1.650 0.02 2 1336 137 138 LEU HD1 H 0.700 0.02 1 1337 137 138 LEU HD2 H 0.764 0.02 1 1338 137 138 LEU HG H 1.605 0.02 1 1339 137 138 LEU CA C 54.147 0.2 1 1340 137 138 LEU CB C 42.849 0.2 1 1341 137 138 LEU CD1 C 25.075 0.2 2 1342 137 138 LEU CD2 C 23.348 0.2 2 1343 137 138 LEU CG C 26.874 0.2 1 1344 137 138 LEU N N 118.446 0.1 1 1345 138 139 ALA H H 9.357 0.02 1 1346 138 139 ALA HA H 4.760 0.02 1 1347 138 139 ALA HB H 1.534 0.02 1 1348 138 139 ALA CA C 51.091 0.2 1 1349 138 139 ALA CB C 22.924 0.2 1 1350 138 139 ALA N N 126.689 0.1 1 1351 139 140 LEU H H 7.287 0.02 1 1352 139 140 LEU HA H 5.278 0.02 1 1353 139 140 LEU HB2 H 1.236 0.02 2 1354 139 140 LEU HB3 H 1.324 0.02 2 1355 139 140 LEU HD1 H 0.869 0.02 1 1356 139 140 LEU HD2 H 0.697 0.02 1 1357 139 140 LEU HG H 1.359 0.02 1 1358 139 140 LEU CA C 53.026 0.2 1 1359 139 140 LEU CB C 42.025 0.2 1 1360 139 140 LEU CD1 C 26.263 0.2 2 1361 139 140 LEU CD2 C 23.245 0.2 2 1362 139 140 LEU CG C 26.023 0.2 1 1363 139 140 LEU N N 116.219 0.1 1 1364 140 141 ILE H H 9.676 0.02 1 1365 140 141 ILE HA H 4.321 0.02 1 1366 140 141 ILE HB H 1.748 0.02 1 1367 140 141 ILE HD1 H 0.711 0.02 1 1368 140 141 ILE HG12 H 1.149 0.02 2 1369 140 141 ILE HG13 H 1.316 0.02 2 1370 140 141 ILE HG2 H 0.819 0.02 1 1371 140 141 ILE CA C 59.331 0.2 1 1372 140 141 ILE CB C 40.745 0.2 1 1373 140 141 ILE CD1 C 12.189 0.2 1 1374 140 141 ILE CG1 C 26.743 0.2 1 1375 140 141 ILE CG2 C 16.742 0.2 1 1376 140 141 ILE N N 124.052 0.1 1 1377 141 142 LYS H H 8.665 0.02 1 1378 141 142 LYS HA H 5.053 0.02 1 1379 141 142 LYS HB2 H 1.725 0.02 2 1380 141 142 LYS HB3 H 1.969 0.02 2 1381 141 142 LYS HD2 H 1.731 0.02 2 1382 141 142 LYS HE2 H 3.036 0.02 2 1383 141 142 LYS HG2 H 1.403 0.02 2 1384 141 142 LYS CA C 55.586 0.2 1 1385 141 142 LYS CB C 32.709 0.2 1 1386 141 142 LYS CD C 28.981 0.2 1 1387 141 142 LYS CE C 41.733 0.2 1 1388 141 142 LYS CG C 24.730 0.2 1 1389 141 142 LYS N N 128.856 0.1 1 1390 142 143 VAL H H 8.757 0.02 1 1391 142 143 VAL HA H 4.223 0.02 1 1392 142 143 VAL HB H 2.116 0.02 1 1393 142 143 VAL HG1 H 0.793 0.02 1 1394 142 143 VAL HG2 H 0.859 0.02 1 1395 142 143 VAL CA C 62.032 0.2 1 1396 142 143 VAL CB C 33.008 0.2 1 1397 142 143 VAL CG1 C 21.270 0.2 2 1398 142 143 VAL CG2 C 21.252 0.2 2 1399 142 143 VAL N N 127.220 0.1 1 1400 143 144 ASP H H 8.595 0.02 1 1401 143 144 ASP HA H 4.698 0.02 1 1402 143 144 ASP HB2 H 2.737 0.02 2 1403 143 144 ASP CB C 41.517 0.2 1 1404 143 144 ASP N N 125.250 0.1 1 1405 144 145 SER H H 8.296 0.02 1 1406 144 145 SER HA H 4.455 0.02 1 1407 144 145 SER HB2 H 3.905 0.02 2 1408 144 145 SER HB3 H 4.024 0.02 2 1409 144 145 SER CA C 58.814 0.2 1 1410 144 145 SER CB C 63.202 0.2 1 1411 144 145 SER N N 116.695 0.1 1 1412 145 146 SER H H 8.512 0.02 1 1413 145 146 SER HA H 4.393 0.02 1 1414 145 146 SER HB2 H 3.896 0.02 2 1415 145 146 SER HB3 H 3.982 0.02 2 1416 145 146 SER CA C 59.286 0.2 1 1417 145 146 SER CB C 63.396 0.2 1 1418 145 146 SER N N 117.509 0.1 1 1419 146 147 GLU H H 8.145 0.02 1 1420 146 147 GLU HA H 4.351 0.02 1 1421 146 147 GLU HB2 H 1.946 0.02 2 1422 146 147 GLU HB3 H 2.095 0.02 2 1423 146 147 GLU HG2 H 2.258 0.02 2 1424 146 147 GLU CA C 56.389 0.2 1 1425 146 147 GLU N N 121.023 0.1 1 1426 147 148 ASN H H 8.145 0.02 1 1427 147 148 ASN HA H 4.584 0.02 1 1428 147 148 ASN HB2 H 2.735 0.02 2 1429 147 148 ASN HB3 H 2.846 0.02 2 1430 147 148 ASN CA C 53.643 0.2 1 1431 147 148 ASN CB C 38.423 0.2 1 1432 147 148 ASN N N 118.043 0.1 1 1433 148 149 LEU H H 7.953 0.02 1 1434 148 149 LEU HA H 4.294 0.02 1 1435 148 149 LEU HB2 H 1.581 0.02 2 1436 148 149 LEU HB3 H 1.631 0.02 2 1437 148 149 LEU HD1 H 0.827 0.02 2 1438 148 149 LEU HD2 H 0.894 0.02 2 1439 148 149 LEU HG H 1.565 0.02 1 1440 148 149 LEU CA C 55.249 0.2 1 1441 148 149 LEU CB C 42.000 0.2 1 1442 148 149 LEU CD1 C 23.496 0.2 2 1443 148 149 LEU CD2 C 24.496 0.2 2 1444 148 149 LEU CG C 26.746 0.2 1 1445 148 149 LEU N N 120.366 0.1 1 1446 149 150 CYS H H 8.141 0.02 1 1447 149 150 CYS HA H 4.517 0.02 1 1448 149 150 CYS HB2 H 2.864 0.02 2 1449 149 150 CYS HB3 H 2.903 0.02 2 1450 149 150 CYS CA C 57.817 0.2 1 1451 149 150 CYS CB C 27.529 0.2 1 1452 149 150 CYS N N 118.879 0.1 1 1453 150 151 THR H H 7.892 0.02 1 1454 150 151 THR HA H 4.191 0.02 1 1455 150 151 THR HB H 4.149 0.02 1 1456 150 151 THR HG2 H 1.149 0.02 1 1457 150 151 THR CA C 61.680 0.2 1 1458 150 151 THR CB C 68.930 0.2 1 1459 150 151 THR CG2 C 21.372 0.2 1 1460 150 151 THR N N 117.354 0.1 1 1461 151 152 GLU H H 8.547 0.02 1 1462 151 152 GLU HA H 3.600 0.02 1 1463 151 152 GLU HB2 H 1.684 0.02 2 1464 151 152 GLU HB3 H 1.731 0.02 2 1465 151 152 GLU HG2 H 1.894 0.02 2 1466 151 152 GLU HG3 H 2.003 0.02 2 1467 151 152 GLU CA C 59.126 0.2 1 1468 151 152 GLU CB C 28.575 0.2 1 1469 151 152 GLU CG C 36.549 0.2 1 1470 151 152 GLU N N 122.526 0.1 1 1471 152 153 ASN H H 8.140 0.02 1 1472 152 153 ASN HA H 4.525 0.02 1 1473 152 153 ASN HB2 H 3.001 0.02 2 1474 152 153 ASN HB3 H 3.084 0.02 2 1475 152 153 ASN CA C 54.838 0.2 1 1476 152 153 ASN CB C 37.230 0.2 1 1477 152 153 ASN N N 113.916 0.1 1 1478 153 154 ILE H H 6.885 0.02 1 1479 153 154 ILE HA H 5.150 0.02 1 1480 153 154 ILE HB H 2.441 0.02 1 1481 153 154 ILE HD1 H 0.161 0.02 1 1482 153 154 ILE HG12 H 1.010 0.02 2 1483 153 154 ILE HG13 H 1.064 0.02 2 1484 153 154 ILE HG2 H 0.742 0.02 1 1485 153 154 ILE CA C 60.523 0.2 1 1486 153 154 ILE CB C 38.399 0.2 1 1487 153 154 ILE CD1 C 13.666 0.2 1 1488 153 154 ILE CG1 C 25.400 0.2 1 1489 153 154 ILE CG2 C 17.406 0.2 1 1490 153 154 ILE N N 108.606 0.1 1 1491 154 155 LEU H H 7.162 0.02 1 1492 154 155 LEU HA H 4.654 0.02 1 1493 154 155 LEU HB2 H 1.190 0.02 2 1494 154 155 LEU HB3 H 1.950 0.02 2 1495 154 155 LEU HD1 H 0.472 0.02 1 1496 154 155 LEU HD2 H 0.527 0.02 1 1497 154 155 LEU HG H 1.552 0.02 1 1498 154 155 LEU CA C 54.179 0.2 1 1499 154 155 LEU CB C 43.178 0.2 1 1500 154 155 LEU CD1 C 25.927 0.2 2 1501 154 155 LEU CD2 C 23.177 0.2 2 1502 154 155 LEU CG C 25.926 0.2 1 1503 154 155 LEU N N 123.152 0.1 1 1504 155 156 PHE H H 9.292 0.02 1 1505 155 156 PHE HA H 5.175 0.02 1 1506 155 156 PHE HB2 H 2.739 0.02 2 1507 155 156 PHE HB3 H 3.255 0.02 2 1508 155 156 PHE HD1 H 7.307 0.02 3 1509 155 156 PHE HD2 H 7.307 0.02 3 1510 155 156 PHE HE1 H 7.248 0.02 3 1511 155 156 PHE HE2 H 7.248 0.02 3 1512 155 156 PHE HZ H 6.882 0.02 1 1513 155 156 PHE CA C 56.409 0.2 1 1514 155 156 PHE CB C 43.001 0.2 1 1515 155 156 PHE CD1 C 132.151 0.2 3 1516 155 156 PHE CD2 C 132.151 0.2 3 1517 155 156 PHE CE1 C 129.978 0.2 3 1518 155 156 PHE CE2 C 129.978 0.2 3 1519 155 156 PHE CZ C 128.530 0.2 1 1520 155 156 PHE N N 119.900 0.1 1 1521 156 157 LYS H H 9.195 0.02 1 1522 156 157 LYS HA H 4.966 0.02 1 1523 156 157 LYS HB2 H 1.686 0.02 2 1524 156 157 LYS HB3 H 1.824 0.02 2 1525 156 157 LYS HD2 H 1.660 0.02 2 1526 156 157 LYS HD3 H 1.704 0.02 2 1527 156 157 LYS HE2 H 2.900 0.02 2 1528 156 157 LYS HG2 H 1.255 0.02 2 1529 156 157 LYS HG3 H 1.540 0.02 2 1530 156 157 LYS CA C 55.200 0.2 1 1531 156 157 LYS CB C 35.002 0.2 1 1532 156 157 LYS CD C 29.447 0.2 1 1533 156 157 LYS CE C 41.948 0.2 1 1534 156 157 LYS CG C 25.946 0.2 1 1535 156 157 LYS N N 118.435 0.1 1 1536 157 158 LEU H H 8.769 0.02 1 1537 157 158 LEU HA H 5.356 0.02 1 1538 157 158 LEU HB2 H 1.478 0.02 2 1539 157 158 LEU HB3 H 1.906 0.02 2 1540 157 158 LEU HD1 H 1.070 0.02 1 1541 157 158 LEU HD2 H 0.992 0.02 1 1542 157 158 LEU HG H 1.755 0.02 1 1543 157 158 LEU CA C 53.173 0.2 1 1544 157 158 LEU CB C 44.220 0.2 1 1545 157 158 LEU CD1 C 25.438 0.2 2 1546 157 158 LEU CD2 C 24.288 0.2 2 1547 157 158 LEU CG C 26.937 0.2 1 1548 157 158 LEU N N 122.607 0.1 1 1549 158 159 SER H H 8.462 0.02 1 1550 158 159 SER HA H 4.854 0.02 1 1551 158 159 SER HB2 H 3.923 0.02 2 1552 158 159 SER CA C 57.305 0.2 1 1553 158 159 SER CB C 64.330 0.2 1 1554 158 159 SER N N 116.051 0.1 1 1555 159 160 GLU H H 9.008 0.02 1 1556 159 160 GLU HA H 4.606 0.02 1 1557 159 160 GLU HB2 H 2.055 0.02 2 1558 159 160 GLU HB3 H 2.240 0.02 2 1559 159 160 GLU HG2 H 2.364 0.02 2 1560 159 160 GLU CA C 56.956 0.2 1 1561 159 160 GLU CB C 30.452 0.2 1 1562 159 160 GLU CG C 36.664 0.2 1 1563 159 160 GLU N N 124.532 0.1 1 1564 160 161 THR H H 7.805 0.02 1 1565 160 161 THR HA H 4.227 0.02 1 1566 160 161 THR HB H 4.234 0.02 1 1567 160 161 THR HG2 H 1.187 0.02 1 1568 160 161 THR CA C 62.841 0.2 1 1569 160 161 THR CB C 70.755 0.2 1 1570 160 161 THR CG2 C 21.915 0.2 1 1571 160 161 THR N N 118.334 0.1 1 stop_ save_