data_18701 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution struture of cofilin like UNC-60B protein from Caenorhabditis elegans ; _BMRB_accession_number 18701 _BMRB_flat_file_name bmr18701.str _Entry_type original _Submission_date 2012-09-04 _Accession_date 2012-09-04 _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 SHUKLA 'VAIBHAV KUMAR' . . 2 YADAV RAHUL . . 3 KABRA ASHISH . . 4 JAIN ANUPAM . . 5 KUMAR DINESH . . 6 ONO SHOICHIRO . . 7 ARORA ASHISH . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 835 "13C chemical shifts" 646 "15N chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-10-08 original author . stop_ _Original_release_date 2013-10-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure and dynamics of UNC-60B from Caenorhabditis elegans' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 SHUKLA 'VAIBHAV KUMAR' . . 2 YADAV RAHUL . . 3 KABRA ASHISH . . 4 JAIN ANUPAM . . 5 KUMAR DINESH . . 6 ONO SHOICHIRO . . 7 ARORA ASHISH . . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'UNC-60B from Caenorhabditis elegans' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'UNC-60B from Caenorhabditis elegans' $UNC-60B 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_UNC-60B _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 17070.590 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 152 _Mol_residue_sequence ; MASGVKVDPSCKNAYDLLHN KHQHSYIIFKIDKNDTAIVV EKVGEKNAPYAEFVEEMKKL VEDGKECRYAAVDVEVTVQR QGAEGTSTLNKVIFVQYCPD NAPVRRRMLYASSVRALKAS LGLESLFQVQASEMSDLDEK SVKSDLMSNQRI ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 SER 4 GLY 5 VAL 6 LYS 7 VAL 8 ASP 9 PRO 10 SER 11 CYS 12 LYS 13 ASN 14 ALA 15 TYR 16 ASP 17 LEU 18 LEU 19 HIS 20 ASN 21 LYS 22 HIS 23 GLN 24 HIS 25 SER 26 TYR 27 ILE 28 ILE 29 PHE 30 LYS 31 ILE 32 ASP 33 LYS 34 ASN 35 ASP 36 THR 37 ALA 38 ILE 39 VAL 40 VAL 41 GLU 42 LYS 43 VAL 44 GLY 45 GLU 46 LYS 47 ASN 48 ALA 49 PRO 50 TYR 51 ALA 52 GLU 53 PHE 54 VAL 55 GLU 56 GLU 57 MET 58 LYS 59 LYS 60 LEU 61 VAL 62 GLU 63 ASP 64 GLY 65 LYS 66 GLU 67 CYS 68 ARG 69 TYR 70 ALA 71 ALA 72 VAL 73 ASP 74 VAL 75 GLU 76 VAL 77 THR 78 VAL 79 GLN 80 ARG 81 GLN 82 GLY 83 ALA 84 GLU 85 GLY 86 THR 87 SER 88 THR 89 LEU 90 ASN 91 LYS 92 VAL 93 ILE 94 PHE 95 VAL 96 GLN 97 TYR 98 CYS 99 PRO 100 ASP 101 ASN 102 ALA 103 PRO 104 VAL 105 ARG 106 ARG 107 ARG 108 MET 109 LEU 110 TYR 111 ALA 112 SER 113 SER 114 VAL 115 ARG 116 ALA 117 LEU 118 LYS 119 ALA 120 SER 121 LEU 122 GLY 123 LEU 124 GLU 125 SER 126 LEU 127 PHE 128 GLN 129 VAL 130 GLN 131 ALA 132 SER 133 GLU 134 MET 135 SER 136 ASP 137 LEU 138 ASP 139 GLU 140 LYS 141 SER 142 VAL 143 LYS 144 SER 145 ASP 146 LEU 147 MET 148 SER 149 ASN 150 GLN 151 ARG 152 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 2LXX "Solution Struture Of Cofilin Like Unc-60b Protein From Caenorhabditis Elegans" 100.00 152 100.00 100.00 5.30e-107 EMBL CCD67023 "Actin-depolymerizing factor 2, isoform c [Caenorhabditis elegans]" 100.00 152 100.00 100.00 5.30e-107 GB AAC14457 "This CDS encodes the second transcript produced from the unc-60 locus. Both transcripts exhibit cofilin/destrin homologies, and" 100.00 152 100.00 100.00 5.30e-107 GB EGT30762 "hypothetical protein CAEBREN_25435 [Caenorhabditis brenneri]" 99.34 175 98.01 100.00 1.18e-103 REF NP_503427 "Actin-depolymerizing factor 2, isoform c [Caenorhabditis elegans]" 100.00 152 100.00 100.00 5.30e-107 REF XP_002647499 "Hypothetical protein CBG06573 [Caenorhabditis briggsae]" 99.34 152 97.35 98.68 3.74e-103 SP Q07749 "RecName: Full=Actin-depolymerizing factor 2, isoform c; AltName: Full=Uncoordinated protein 60" 100.00 152 100.00 100.00 5.30e-107 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $UNC-60B 'Rhabditis elegans' 6239 Eukaryota Metazoa Caenorhabditis elegans 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 $UNC-60B 'recombinant technology' . Escherichia coli BL21-DE3 pETNH6 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N LABELED UNC-60B' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UNC-60B 0.9 mM '[U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '15N 13C labeled UNC60B' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UNC-60B 0.9 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '15N 13C labeled UNC60B' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UNC-60B 0.9 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'STRUCTURE CALCULATION' 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 refinement stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCO-NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO-NOESY' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_CB(CGCD)HD_12 _Saveframe_category NMR_applied_experiment _Experiment_name CB(CGCD)HD _Sample_label $sample_2 save_ save_CB(CGCDCE)HE_13 _Saveframe_category NMR_applied_experiment _Experiment_name CB(CGCDCE)HE _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aromatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D H(CCO)NH' '3D C(CO)NH' '3D HNCA' '3D HNCO-NOESY' '3D HN(CA)CO' '2D 1H-13C HSQC aliphatic' '3D HCCH-TOCSY' CB(CGCD)HD CB(CGCDCE)HE '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'UNC-60B from Caenorhabditis elegans' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.390 0.020 1 2 1 1 MET HB2 H 1.974 0.020 1 3 1 1 MET HB3 H 1.974 0.020 1 4 1 1 MET HG2 H 2.524 0.020 1 5 1 1 MET HG3 H 2.524 0.020 1 6 1 1 MET H H 8.493 0.020 1 7 1 1 MET C C 175.858 0.3 1 8 1 1 MET CA C 55.578 0.3 1 9 1 1 MET CB C 33.031 0.3 1 10 1 1 MET CG C 31.968 0.3 1 11 1 1 MET N N 120.284 0.3 1 12 2 2 ALA H H 8.404 0.020 1 13 2 2 ALA HA H 4.342 0.020 1 14 2 2 ALA HB H 1.355 0.020 1 15 2 2 ALA C C 177.458 0.3 1 16 2 2 ALA CA C 52.816 0.3 1 17 2 2 ALA CB C 19.437 0.3 1 18 2 2 ALA N N 126.155 0.3 1 19 3 3 SER H H 8.283 0.020 1 20 3 3 SER HA H 4.409 0.020 1 21 3 3 SER HB2 H 3.858 0.020 1 22 3 3 SER HB3 H 3.858 0.020 1 23 3 3 SER C C 174.739 0.3 1 24 3 3 SER CA C 58.346 0.3 1 25 3 3 SER CB C 64.207 0.3 1 26 3 3 SER N N 115.406 0.3 1 27 4 4 GLY H H 8.358 0.020 1 28 4 4 GLY HA2 H 3.960 0.020 2 29 4 4 GLY HA3 H 3.883 0.020 2 30 4 4 GLY C C 173.502 0.3 1 31 4 4 GLY CA C 45.078 0.3 1 32 4 4 GLY N N 110.853 0.3 1 33 5 5 VAL H H 7.836 0.020 1 34 5 5 VAL HA H 3.883 0.020 1 35 5 5 VAL HB H 1.783 0.020 1 36 5 5 VAL HG1 H 0.787 0.020 2 37 5 5 VAL HG2 H 0.684 0.020 2 38 5 5 VAL C C 175.390 0.3 1 39 5 5 VAL CA C 62.518 0.3 1 40 5 5 VAL CB C 32.705 0.3 1 41 5 5 VAL CG1 C 21.938 0.3 1 42 5 5 VAL CG2 C 21.530 0.3 1 43 5 5 VAL N N 119.781 0.3 1 44 6 6 LYS H H 7.988 0.020 1 45 6 6 LYS HA H 4.469 0.020 1 46 6 6 LYS HB2 H 1.814 0.020 1 47 6 6 LYS HB3 H 1.814 0.020 1 48 6 6 LYS HG2 H 1.466 0.020 1 49 6 6 LYS HG3 H 1.466 0.020 1 50 6 6 LYS HD2 H 1.670 0.020 1 51 6 6 LYS HD3 H 1.670 0.020 1 52 6 6 LYS HE2 H 2.961 0.020 1 53 6 6 LYS HE3 H 2.961 0.020 1 54 6 6 LYS C C 175.278 0.3 1 55 6 6 LYS CA C 54.927 0.3 1 56 6 6 LYS CB C 34.577 0.3 1 57 6 6 LYS CG C 24.955 0.3 1 58 6 6 LYS CD C 29.114 0.3 1 59 6 6 LYS CE C 42.161 0.3 1 60 6 6 LYS N N 124.873 0.3 1 61 7 7 VAL H H 8.757 0.020 1 62 7 7 VAL HA H 3.883 0.020 1 63 7 7 VAL HB H 1.958 0.020 1 64 7 7 VAL HG1 H 0.798 0.020 2 65 7 7 VAL HG2 H 0.678 0.020 2 66 7 7 VAL C C 175.756 0.3 1 67 7 7 VAL CA C 62.334 0.3 1 68 7 7 VAL CB C 32.054 0.3 1 69 7 7 VAL CG1 C 21.694 0.3 1 70 7 7 VAL CG2 C 21.694 0.3 1 71 7 7 VAL N N 122.213 0.3 1 72 8 8 ASP H H 8.820 0.020 1 73 8 8 ASP HA H 4.673 0.020 1 74 8 8 ASP HB2 H 2.998 0.020 2 75 8 8 ASP HB3 H 2.699 0.020 2 76 8 8 ASP C C 176.237 0.3 1 77 8 8 ASP CA C 54.439 0.3 1 78 8 8 ASP CB C 44.590 0.3 1 79 8 8 ASP N N 131.718 0.3 1 80 9 9 PRO HA H 4.384 0.020 1 81 9 9 PRO HB2 H 2.460 0.020 1 82 9 9 PRO HB3 H 2.460 0.020 1 83 9 9 PRO HG2 H 2.089 0.020 1 84 9 9 PRO HG3 H 2.089 0.020 1 85 9 9 PRO C C 177.535 0.3 1 86 9 9 PRO CA C 65.509 0.3 1 87 9 9 PRO CB C 32.054 0.3 1 88 9 9 PRO CG C 27.891 0.3 1 89 10 10 SER H H 8.811 0.020 1 90 10 10 SER HA H 4.265 0.020 1 91 10 10 SER HB2 H 4.105 0.020 2 92 10 10 SER HB3 H 3.954 0.020 2 93 10 10 SER C C 177.666 0.3 1 94 10 10 SER CA C 61.541 0.3 1 95 10 10 SER CB C 62.660 0.3 1 96 10 10 SER N N 113.842 0.3 1 97 11 11 CYS H H 8.459 0.020 1 98 11 11 CYS HA H 4.146 0.020 1 99 11 11 CYS HB2 H 2.985 0.020 2 100 11 11 CYS HB3 H 2.531 0.020 2 101 11 11 CYS C C 176.211 0.3 1 102 11 11 CYS CA C 62.986 0.3 1 103 11 11 CYS CB C 27.496 0.3 1 104 11 11 CYS N N 121.231 0.3 1 105 12 12 LYS H H 7.615 0.020 1 106 12 12 LYS HA H 3.946 0.020 1 107 12 12 LYS HB2 H 1.969 0.020 1 108 12 12 LYS HB3 H 1.969 0.020 1 109 12 12 LYS HG2 H 1.467 0.020 1 110 12 12 LYS HG3 H 1.467 0.020 1 111 12 12 LYS HD2 H 1.814 0.020 1 112 12 12 LYS HD3 H 1.814 0.020 1 113 12 12 LYS HE2 H 3.058 0.020 1 114 12 12 LYS HE3 H 3.058 0.020 1 115 12 12 LYS C C 177.687 0.3 1 116 12 12 LYS CA C 59.241 0.3 1 117 12 12 LYS CB C 32.461 0.3 1 118 12 12 LYS CG C 25.363 0.3 1 119 12 12 LYS CD C 29.195 0.3 1 120 12 12 LYS CE C 42.405 0.3 1 121 12 12 LYS N N 119.862 0.3 1 122 13 13 ASN H H 7.489 0.020 1 123 13 13 ASN HA H 4.468 0.020 1 124 13 13 ASN HB2 H 2.866 0.020 2 125 13 13 ASN HB3 H 2.758 0.020 2 126 13 13 ASN C C 177.297 0.3 1 127 13 13 ASN CA C 56.637 0.3 1 128 13 13 ASN CB C 38.485 0.3 1 129 13 13 ASN N N 116.871 0.3 1 130 14 14 ALA H H 8.054 0.020 1 131 14 14 ALA HA H 4.241 0.020 1 132 14 14 ALA HB H 1.479 0.020 1 133 14 14 ALA C C 179.077 0.3 1 134 14 14 ALA CA C 55.578 0.3 1 135 14 14 ALA CB C 18.461 0.3 1 136 14 14 ALA N N 119.990 0.3 1 137 15 15 TYR H H 8.380 0.020 1 138 15 15 TYR HA H 4.051 0.020 1 139 15 15 TYR HB2 H 3.190 0.020 2 140 15 15 TYR HB3 H 3.022 0.020 2 141 15 15 TYR HD1 H 6.906 0.020 1 142 15 15 TYR HD2 H 6.906 0.020 1 143 15 15 TYR HE1 H 6.522 0.020 1 144 15 15 TYR HE2 H 6.522 0.020 1 145 15 15 TYR C C 177.123 0.3 1 146 15 15 TYR CA C 62.741 0.3 1 147 15 15 TYR CB C 39.461 0.3 1 148 15 15 TYR CD1 C 127.936 0.3 1 149 15 15 TYR CD2 C 127.936 0.3 1 150 15 15 TYR CE1 C 115.799 0.3 1 151 15 15 TYR CE2 C 115.799 0.3 1 152 15 15 TYR N N 118.280 0.3 1 153 16 16 ASP H H 8.722 0.020 1 154 16 16 ASP HA H 4.302 0.020 1 155 16 16 ASP HB2 H 2.867 0.020 2 156 16 16 ASP HB3 H 2.710 0.020 2 157 16 16 ASP C C 179.185 0.3 1 158 16 16 ASP CA C 58.102 0.3 1 159 16 16 ASP CB C 40.357 0.3 1 160 16 16 ASP N N 121.008 0.3 1 161 17 17 LEU H H 7.477 0.020 1 162 17 17 LEU HA H 3.867 0.020 1 163 17 17 LEU HB2 H 1.814 0.020 1 164 17 17 LEU HB3 H 1.814 0.020 1 165 17 17 LEU HD1 H 1.001 0.020 2 166 17 17 LEU HD2 H 0.738 0.020 2 167 17 17 LEU C C 178.708 0.3 1 168 17 17 LEU CA C 58.102 0.3 1 169 17 17 LEU CB C 42.066 0.3 1 170 17 17 LEU CG C 27.320 0.3 1 171 17 17 LEU CD1 C 19.981 0.3 1 172 17 17 LEU CD2 C 19.981 0.3 1 173 17 17 LEU N N 119.368 0.3 1 174 18 18 LEU H H 7.762 0.020 1 175 18 18 LEU HA H 4.098 0.020 1 176 18 18 LEU HB2 H 1.826 0.020 1 177 18 18 LEU HB3 H 1.826 0.020 1 178 18 18 LEU HG H 1.826 0.020 1 179 18 18 LEU HD1 H 0.738 0.020 1 180 18 18 LEU HD2 H 0.738 0.020 1 181 18 18 LEU C C 176.580 0.3 1 182 18 18 LEU CA C 59.902 0.3 1 183 18 18 LEU CB C 43.625 0.3 1 184 18 18 LEU CG C 26.810 0.3 1 185 18 18 LEU CD1 C 26.790 0.3 1 186 18 18 LEU CD2 C 26.790 0.3 1 187 18 18 LEU N N 121.503 0.3 1 188 19 19 HIS H H 8.983 0.020 1 189 19 19 HIS HA H 3.741 0.020 1 190 19 19 HIS HB2 H 2.424 0.020 1 191 19 19 HIS HB3 H 2.424 0.020 1 192 19 19 HIS HD2 H 6.882 0.020 1 193 19 19 HIS C C 174.627 0.3 1 194 19 19 HIS CA C 58.904 0.3 1 195 19 19 HIS CB C 30.019 0.3 1 196 19 19 HIS CD2 C 121.236 0.3 1 197 19 19 HIS N N 116.605 0.3 1 198 20 20 ASN H H 8.308 0.020 1 199 20 20 ASN HA H 4.565 0.020 1 200 20 20 ASN HB2 H 2.925 0.020 2 201 20 20 ASN HB3 H 2.747 0.020 2 202 20 20 ASN C C 176.624 0.3 1 203 20 20 ASN CA C 54.195 0.3 1 204 20 20 ASN CB C 38.580 0.3 1 205 20 20 ASN N N 112.497 0.3 1 206 21 21 LYS H H 6.621 0.020 1 207 21 21 LYS HA H 4.408 0.020 1 208 21 21 LYS HB2 H 2.004 0.020 1 209 21 21 LYS HB3 H 2.004 0.020 1 210 21 21 LYS HG2 H 1.359 0.020 2 211 21 21 LYS HG3 H 1.263 0.020 2 212 21 21 LYS HD2 H 1.527 0.020 1 213 21 21 LYS HD3 H 1.527 0.020 1 214 21 21 LYS HE2 H 2.913 0.020 1 215 21 21 LYS HE3 H 2.913 0.020 1 216 21 21 LYS C C 175.669 0.3 1 217 21 21 LYS CA C 55.291 0.3 1 218 21 21 LYS CB C 33.275 0.3 1 219 21 21 LYS CG C 25.118 0.3 1 220 21 21 LYS CD C 28.625 0.3 1 221 21 21 LYS CE C 41.998 0.3 1 222 21 21 LYS N N 113.544 0.3 1 223 22 22 HIS H H 6.838 0.020 1 224 22 22 HIS HA H 4.719 0.020 1 225 22 22 HIS HB2 H 3.236 0.020 1 226 22 22 HIS HB3 H 3.236 0.020 1 227 22 22 HIS HD2 H 6.971 0.020 1 228 22 22 HIS C C 174.670 0.3 1 229 22 22 HIS CA C 56.332 0.3 1 230 22 22 HIS CB C 25.721 0.3 1 231 22 22 HIS CD2 C 117.620 0.3 1 232 22 22 HIS N N 115.701 0.3 1 233 23 23 GLN H H 8.028 0.020 1 234 23 23 GLN HA H 4.015 0.020 1 235 23 23 GLN HB2 H 1.420 0.020 2 236 23 23 GLN HB3 H 1.419 0.020 2 237 23 23 GLN HG2 H 2.052 0.020 1 238 23 23 GLN HG3 H 2.052 0.020 1 239 23 23 GLN C C 174.041 0.3 1 240 23 23 GLN CA C 56.311 0.3 1 241 23 23 GLN CB C 30.685 0.3 1 242 23 23 GLN CG C 34.170 0.3 1 243 23 23 GLN N N 114.330 0.3 1 244 24 24 HIS H H 6.670 0.020 1 245 24 24 HIS HA H 4.146 0.020 1 246 24 24 HIS HB2 H 3.213 0.020 2 247 24 24 HIS HB3 H 2.232 0.020 2 248 24 24 HIS C C 175.083 0.3 1 249 24 24 HIS CA C 53.305 0.3 1 250 24 24 HIS CB C 33.845 0.3 1 251 24 24 HIS N N 111.043 0.3 1 252 25 25 SER H H 7.591 0.020 1 253 25 25 SER HA H 4.600 0.020 1 254 25 25 SER HB2 H 4.038 0.020 1 255 25 25 SER HB3 H 4.038 0.020 1 256 25 25 SER C C 173.368 0.3 1 257 25 25 SER CA C 59.648 0.3 1 258 25 25 SER CB C 64.532 0.3 1 259 25 25 SER N N 115.307 0.3 1 260 26 26 TYR H H 6.635 0.020 1 261 26 26 TYR HA H 5.354 0.020 1 262 26 26 TYR HB2 H 3.154 0.020 2 263 26 26 TYR HB3 H 2.711 0.020 2 264 26 26 TYR HD1 H 6.590 0.020 1 265 26 26 TYR HD2 H 6.590 0.020 1 266 26 26 TYR HE1 H 6.321 0.020 1 267 26 26 TYR HE2 H 6.321 0.020 1 268 26 26 TYR C C 173.411 0.3 1 269 26 26 TYR CA C 56.392 0.3 1 270 26 26 TYR CB C 41.008 0.3 1 271 26 26 TYR CD1 C 125.458 0.3 1 272 26 26 TYR CD2 C 125.458 0.3 1 273 26 26 TYR CE1 C 114.838 0.3 1 274 26 26 TYR CE2 C 114.838 0.3 1 275 26 26 TYR N N 111.318 0.3 1 276 27 27 ILE H H 9.191 0.020 1 277 27 27 ILE HA H 4.529 0.020 1 278 27 27 ILE HB H 1.228 0.020 1 279 27 27 ILE HG12 H 0.798 0.020 1 280 27 27 ILE HG13 H 0.798 0.020 1 281 27 27 ILE HG2 H -0.016 0.020 1 282 27 27 ILE HD1 H 0.080 0.020 1 283 27 27 ILE C C 174.323 0.3 1 284 27 27 ILE CA C 60.706 0.3 1 285 27 27 ILE CB C 44.020 0.3 1 286 27 27 ILE CG1 C 26.994 0.3 1 287 27 27 ILE CG2 C 21.938 0.3 1 288 27 27 ILE CD1 C 19.003 0.3 1 289 27 27 ILE N N 119.710 0.3 1 290 28 28 ILE H H 9.049 0.020 1 291 28 28 ILE HA H 4.804 0.020 1 292 28 28 ILE HB H 1.682 0.020 1 293 28 28 ILE HG12 H 1.119 0.020 1 294 28 28 ILE HG13 H 1.119 0.020 1 295 28 28 ILE HG2 H 0.677 0.020 1 296 28 28 ILE HD1 H 0.690 0.020 1 297 28 28 ILE C C 174.757 0.3 1 298 28 28 ILE CA C 60.951 0.3 1 299 28 28 ILE CB C 40.113 0.3 1 300 28 28 ILE CG1 C 17.453 0.3 1 301 28 28 ILE CG2 C 28.788 0.3 1 302 28 28 ILE CD1 C 13.702 0.3 1 303 28 28 ILE N N 125.249 0.3 1 304 29 29 PHE H H 9.514 0.020 1 305 29 29 PHE HA H 5.725 0.020 1 306 29 29 PHE HB2 H 3.335 0.020 2 307 29 29 PHE HB3 H 3.070 0.020 2 308 29 29 PHE HD1 H 7.181 0.020 1 309 29 29 PHE HD2 H 7.181 0.020 1 310 29 29 PHE HE1 H 7.181 0.020 1 311 29 29 PHE HE2 H 7.181 0.020 1 312 29 29 PHE C C 174.193 0.3 1 313 29 29 PHE CA C 55.823 0.3 1 314 29 29 PHE CB C 42.880 0.3 1 315 29 29 PHE CD1 C 130.260 0.3 1 316 29 29 PHE CD2 C 130.260 0.3 1 317 29 29 PHE CE1 C 130.260 0.3 1 318 29 29 PHE CE2 C 130.260 0.3 1 319 29 29 PHE N N 126.153 0.3 1 320 30 30 LYS H H 8.950 0.020 1 321 30 30 LYS HA H 5.151 0.020 1 322 30 30 LYS HB2 H 2.028 0.020 1 323 30 30 LYS HB3 H 2.028 0.020 1 324 30 30 LYS HG2 H 1.216 0.020 1 325 30 30 LYS HG3 H 1.216 0.020 1 326 30 30 LYS HD2 H 1.598 0.020 1 327 30 30 LYS HD3 H 1.598 0.020 1 328 30 30 LYS C C 173.411 0.3 1 329 30 30 LYS CA C 54.276 0.3 1 330 30 30 LYS CB C 37.182 0.3 1 331 30 30 LYS CG C 24.058 0.3 1 332 30 30 LYS CD C 27.320 0.3 1 333 30 30 LYS CE C 42.324 0.3 1 334 30 30 LYS N N 116.531 0.3 1 335 31 31 ILE H H 8.256 0.020 1 336 31 31 ILE HA H 4.684 0.020 1 337 31 31 ILE HB H 1.731 0.020 1 338 31 31 ILE HG12 H 1.323 0.020 1 339 31 31 ILE HG13 H 1.323 0.020 1 340 31 31 ILE HG2 H 0.846 0.020 1 341 31 31 ILE HD1 H 0.846 0.020 1 342 31 31 ILE C C 174.714 0.3 1 343 31 31 ILE CA C 61.846 0.3 1 344 31 31 ILE CB C 37.508 0.3 1 345 31 31 ILE CG1 C 24.874 0.3 1 346 31 31 ILE CG2 C 17.698 0.3 1 347 31 31 ILE CD1 C 17.616 0.3 1 348 31 31 ILE N N 120.757 0.3 1 349 32 32 ASP H H 9.441 0.020 1 350 32 32 ASP HA H 4.445 0.020 1 351 32 32 ASP HB2 H 2.962 0.020 2 352 32 32 ASP HB3 H 2.759 0.020 2 353 32 32 ASP CA C 53.663 0.3 1 354 32 32 ASP CB C 37.489 0.3 1 355 32 32 ASP N N 130.811 0.3 1 356 33 33 LYS HA H 4.314 0.020 1 357 33 33 LYS HB2 H 1.993 0.020 1 358 33 33 LYS HB3 H 1.993 0.020 1 359 33 33 LYS HG2 H 0.774 0.020 1 360 33 33 LYS HG3 H 0.774 0.020 1 361 33 33 LYS HD2 H 1.575 0.020 1 362 33 33 LYS HD3 H 1.575 0.020 1 363 33 33 LYS HE2 H 3.057 0.020 1 364 33 33 LYS HE3 H 3.057 0.020 1 365 33 33 LYS C C 174.759 0.3 1 366 33 33 LYS CA C 56.230 0.3 1 367 33 33 LYS CB C 29.205 0.3 1 368 33 33 LYS CG C 25.608 0.3 1 369 33 33 LYS CD C 30.745 0.3 1 370 33 33 LYS CE C 43.058 0.3 1 371 34 34 ASN H H 8.573 0.020 1 372 34 34 ASN HA H 4.684 0.020 1 373 34 34 ASN HB2 H 2.879 0.020 2 374 34 34 ASN HB3 H 2.783 0.020 2 375 34 34 ASN C C 174.736 0.3 1 376 34 34 ASN CA C 54.151 0.3 1 377 34 34 ASN CB C 39.624 0.3 1 378 34 34 ASN N N 117.759 0.3 1 379 35 35 ASP H H 8.134 0.020 1 380 35 35 ASP C C 175.586 0.3 1 381 35 35 ASP CA C 54.043 0.3 1 382 35 35 ASP CB C 42.091 0.3 1 383 35 35 ASP N N 115.713 0.3 1 384 36 36 THR HA H 4.565 0.020 1 385 36 36 THR HB H 4.338 0.020 1 386 36 36 THR HG2 H 1.192 0.020 1 387 36 36 THR C C 175.517 0.3 1 388 36 36 THR CA C 62.579 0.3 1 389 36 36 THR CB C 71.858 0.3 1 390 36 36 THR CG2 C 21.530 0.3 1 391 37 37 ALA H H 8.054 0.020 1 392 37 37 ALA HA H 5.498 0.020 1 393 37 37 ALA HB H 1.167 0.020 1 394 37 37 ALA C C 175.300 0.3 1 395 37 37 ALA CA C 51.481 0.3 1 396 37 37 ALA CB C 22.612 0.3 1 397 37 37 ALA N N 124.761 0.3 1 398 38 38 ILE H H 8.623 0.020 1 399 38 38 ILE HA H 4.667 0.020 1 400 38 38 ILE HB H 1.493 0.020 1 401 38 38 ILE HG12 H 0.774 0.020 1 402 38 38 ILE HG13 H 0.774 0.020 1 403 38 38 ILE HG2 H 0.989 0.020 1 404 38 38 ILE HD1 H 0.665 0.020 1 405 38 38 ILE C C 174.301 0.3 1 406 38 38 ILE CA C 61.439 0.3 1 407 38 38 ILE CB C 39.217 0.3 1 408 38 38 ILE CG1 C 29.114 0.3 1 409 38 38 ILE CG2 C 19.166 0.3 1 410 38 38 ILE CD1 C 15.578 0.3 1 411 38 38 ILE N N 121.171 0.3 1 412 39 39 VAL H H 9.083 0.020 1 413 39 39 VAL HA H 4.673 0.020 1 414 39 39 VAL HB H 2.315 0.020 1 415 39 39 VAL HG1 H 0.858 0.020 2 416 39 39 VAL HG2 H 0.726 0.020 2 417 39 39 VAL C C 174.974 0.3 1 418 39 39 VAL CA C 59.078 0.3 1 419 39 39 VAL CB C 35.473 0.3 1 420 39 39 VAL CG1 C 21.612 0.3 1 421 39 39 VAL CG2 C 18.595 0.3 1 422 39 39 VAL N N 118.121 0.3 1 423 40 40 VAL H H 8.345 0.020 1 424 40 40 VAL HA H 3.788 0.020 1 425 40 40 VAL HB H 1.970 0.020 1 426 40 40 VAL HG1 H 1.001 0.020 2 427 40 40 VAL HG2 H 0.559 0.020 2 428 40 40 VAL C C 175.300 0.3 1 429 40 40 VAL CA C 63.800 0.3 1 430 40 40 VAL CB C 32.624 0.3 1 431 40 40 VAL CG1 C 22.835 0.3 1 432 40 40 VAL CG2 C 22.020 0.3 1 433 40 40 VAL N N 121.315 0.3 1 434 41 41 GLU H H 9.388 0.020 1 435 41 41 GLU HA H 4.409 0.020 1 436 41 41 GLU HB2 H 1.444 0.020 1 437 41 41 GLU HB3 H 1.444 0.020 1 438 41 41 GLU HG2 H 2.040 0.020 1 439 41 41 GLU HG3 H 2.040 0.020 1 440 41 41 GLU C C 175.647 0.3 1 441 41 41 GLU CA C 57.206 0.3 1 442 41 41 GLU CB C 33.517 0.3 1 443 41 41 GLU CG C 36.942 0.3 1 444 41 41 GLU N N 130.920 0.3 1 445 42 42 LYS H H 7.523 0.020 1 446 42 42 LYS HA H 4.654 0.020 1 447 42 42 LYS HB2 H 1.717 0.020 1 448 42 42 LYS HB3 H 1.717 0.020 1 449 42 42 LYS HG2 H 0.797 0.020 1 450 42 42 LYS HG3 H 0.797 0.020 1 451 42 42 LYS HD2 H 1.324 0.020 1 452 42 42 LYS HD3 H 1.324 0.020 1 453 42 42 LYS C C 173.715 0.3 1 454 42 42 LYS CA C 54.520 0.3 1 455 42 42 LYS CB C 36.857 0.3 1 456 42 42 LYS CG C 25.037 0.3 1 457 42 42 LYS CD C 26.178 0.3 1 458 42 42 LYS CE C 40.204 0.3 1 459 42 42 LYS N N 115.836 0.3 1 460 43 43 VAL H H 8.315 0.020 1 461 43 43 VAL HA H 4.445 0.020 1 462 43 43 VAL HB H 1.216 0.020 1 463 43 43 VAL HG1 H 0.427 0.020 2 464 43 43 VAL HG2 H 0.270 0.020 2 465 43 43 VAL C C 174.931 0.3 1 466 43 43 VAL CA C 59.648 0.3 1 467 43 43 VAL CB C 34.170 0.3 1 468 43 43 VAL CG1 C 19.573 0.3 1 469 43 43 VAL CG2 C 21.530 0.3 1 470 43 43 VAL N N 118.472 0.3 1 471 44 44 GLY H H 7.953 0.020 1 472 44 44 GLY HA2 H 3.810 0.020 1 473 44 44 GLY HA3 H 3.810 0.020 1 474 44 44 GLY C C 174.149 0.3 1 475 44 44 GLY CA C 43.384 0.3 1 476 44 44 GLY N N 112.479 0.3 1 477 45 45 GLU H H 8.949 0.020 1 478 45 45 GLU HA H 4.419 0.020 1 479 45 45 GLU HB2 H 1.976 0.020 1 480 45 45 GLU HB3 H 1.976 0.020 1 481 45 45 GLU HG2 H 2.433 0.020 2 482 45 45 GLU HG3 H 2.211 0.020 2 483 45 45 GLU C C 175.365 0.3 1 484 45 45 GLU CA C 56.392 0.3 1 485 45 45 GLU CB C 30.670 0.3 1 486 45 45 GLU CG C 36.000 0.3 1 487 45 45 GLU N N 122.999 0.3 1 488 48 48 ALA H H 7.627 0.020 1 489 48 48 ALA HA H 4.421 0.020 1 490 48 48 ALA HB H 1.491 0.020 1 491 48 48 ALA C C 176.210 0.3 1 492 48 48 ALA CA C 51.508 0.3 1 493 48 48 ALA CB C 17.647 0.3 1 494 48 48 ALA N N 124.687 0.3 1 495 49 49 PRO HA H 4.649 0.020 1 496 49 49 PRO HB2 H 2.495 0.020 1 497 49 49 PRO HB3 H 2.495 0.020 1 498 49 49 PRO HG2 H 2.172 0.020 2 499 49 49 PRO HG3 H 2.076 0.020 2 500 49 49 PRO C C 177.535 0.3 1 501 49 49 PRO CA C 62.497 0.3 1 502 49 49 PRO CB C 32.136 0.3 1 503 49 49 PRO CG C 27.809 0.3 1 504 50 50 TYR H H 9.065 0.020 1 505 50 50 TYR HA H 4.061 0.020 1 506 50 50 TYR HB2 H 3.224 0.020 2 507 50 50 TYR HB3 H 2.877 0.020 2 508 50 50 TYR HD1 H 7.185 0.020 1 509 50 50 TYR HD2 H 7.185 0.020 1 510 50 50 TYR HE1 H 6.887 0.020 1 511 50 50 TYR HE2 H 6.887 0.020 1 512 50 50 TYR C C 177.427 0.3 1 513 50 50 TYR CA C 62.660 0.3 1 514 50 50 TYR CB C 38.240 0.3 1 515 50 50 TYR CD1 C 133.490 0.3 1 516 50 50 TYR CD2 C 133.499 0.3 1 517 50 50 TYR CE1 C 115.951 0.3 1 518 50 50 TYR CE2 C 115.951 0.3 1 519 50 50 TYR N N 127.091 0.3 1 520 51 51 ALA H H 8.910 0.020 1 521 51 51 ALA HA H 4.075 0.020 1 522 51 51 ALA HB H 1.491 0.020 1 523 51 51 ALA C C 179.836 0.3 1 524 51 51 ALA CA C 55.009 0.3 1 525 51 51 ALA CB C 19.030 0.3 1 526 51 51 ALA N N 117.547 0.3 1 527 52 52 GLU H H 7.708 0.020 1 528 52 52 GLU HA H 4.026 0.020 1 529 52 52 GLU HB2 H 2.198 0.020 1 530 52 52 GLU HB3 H 2.198 0.020 1 531 52 52 GLU HG2 H 2.459 0.020 1 532 52 52 GLU HG3 H 2.459 0.020 1 533 52 52 GLU C C 177.970 0.3 1 534 52 52 GLU CA C 59.241 0.3 1 535 52 52 GLU CB C 29.775 0.3 1 536 52 52 GLU CG C 37.105 0.3 1 537 52 52 GLU N N 117.688 0.3 1 538 53 53 PHE H H 6.778 0.020 1 539 53 53 PHE HA H 2.974 0.020 1 540 53 53 PHE HB2 H 2.770 0.020 2 541 53 53 PHE HB3 H 2.447 0.020 2 542 53 53 PHE HD1 H 6.130 0.020 1 543 53 53 PHE HD2 H 6.130 0.020 1 544 53 53 PHE HE1 H 6.130 0.020 1 545 53 53 PHE HE2 H 6.130 0.020 1 546 53 53 PHE C C 175.582 0.3 1 547 53 53 PHE CA C 59.892 0.3 1 548 53 53 PHE CB C 36.694 0.3 1 549 53 53 PHE CD1 C 129.908 0.3 1 550 53 53 PHE CD2 C 129.908 0.3 1 551 53 53 PHE CE1 C 129.908 0.3 1 552 53 53 PHE CE2 C 129.908 0.3 1 553 53 53 PHE N N 120.303 0.3 1 554 54 54 VAL H H 7.104 0.020 1 555 54 54 VAL HA H 2.351 0.020 1 556 54 54 VAL HB H 1.862 0.020 1 557 54 54 VAL HG1 H 0.798 0.020 2 558 54 54 VAL HG2 H 0.690 0.020 2 559 54 54 VAL C C 177.101 0.3 1 560 54 54 VAL CA C 66.893 0.3 1 561 54 54 VAL CB C 31.484 0.3 1 562 54 54 VAL CG1 C 24.792 0.3 1 563 54 54 VAL CG2 C 21.694 0.3 1 564 54 54 VAL N N 117.631 0.3 1 565 55 55 GLU H H 7.592 0.020 1 566 55 55 GLU HA H 3.740 0.020 1 567 55 55 GLU HB2 H 1.957 0.020 1 568 55 55 GLU HB3 H 1.957 0.020 1 569 55 55 GLU HG2 H 2.232 0.020 1 570 55 55 GLU HG3 H 2.232 0.020 1 571 55 55 GLU C C 178.859 0.3 1 572 55 55 GLU CA C 58.916 0.3 1 573 55 55 GLU CB C 29.287 0.3 1 574 55 55 GLU CG C 35.882 0.3 1 575 55 55 GLU N N 118.253 0.3 1 576 56 56 GLU H H 8.002 0.020 1 577 56 56 GLU HA H 3.847 0.020 1 578 56 56 GLU HB2 H 1.728 0.020 1 579 56 56 GLU HB3 H 1.728 0.020 1 580 56 56 GLU HG2 H 2.339 0.020 1 581 56 56 GLU HG3 H 2.339 0.020 1 582 56 56 GLU C C 179.272 0.3 1 583 56 56 GLU CA C 58.834 0.3 1 584 56 56 GLU CB C 28.635 0.3 1 585 56 56 GLU CG C 36.127 0.3 1 586 56 56 GLU N N 118.908 0.3 1 587 57 57 MET H H 7.838 0.020 1 588 57 57 MET HA H 3.799 0.020 1 589 57 57 MET HB2 H 1.336 0.020 1 590 57 57 MET HB3 H 1.336 0.020 1 591 57 57 MET HG2 H 1.444 0.020 1 592 57 57 MET HG3 H 1.444 0.020 1 593 57 57 MET C C 177.514 0.3 1 594 57 57 MET CA C 57.044 0.3 1 595 57 57 MET CB C 30.263 0.3 1 596 57 57 MET CG C 33.599 0.3 1 597 57 57 MET N N 117.937 0.3 1 598 58 58 LYS H H 8.341 0.020 1 599 58 58 LYS HA H 3.619 0.020 1 600 58 58 LYS HB2 H 1.766 0.020 1 601 58 58 LYS HB3 H 1.766 0.020 1 602 58 58 LYS HG2 H 1.335 0.020 2 603 58 58 LYS HG3 H 1.216 0.020 2 604 58 58 LYS HD2 H 1.551 0.020 1 605 58 58 LYS HD3 H 1.551 0.020 1 606 58 58 LYS HE2 H 2.819 0.020 1 607 58 58 LYS HE3 H 2.819 0.020 1 608 58 58 LYS C C 178.339 0.3 1 609 58 58 LYS CA C 60.218 0.3 1 610 58 58 LYS CB C 32.787 0.3 1 611 58 58 LYS CG C 25.281 0.3 1 612 58 58 LYS CD C 29.848 0.3 1 613 58 58 LYS CE C 41.916 0.3 1 614 58 58 LYS N N 119.343 0.3 1 615 59 59 LYS H H 7.126 0.020 1 616 59 59 LYS HA H 3.894 0.020 1 617 59 59 LYS HB2 H 1.778 0.020 1 618 59 59 LYS HB3 H 1.778 0.020 1 619 59 59 LYS HG2 H 1.371 0.020 1 620 59 59 LYS HG3 H 1.371 0.020 1 621 59 59 LYS HD2 H 1.551 0.020 1 622 59 59 LYS HD3 H 1.551 0.020 1 623 59 59 LYS HE2 H 2.830 0.020 1 624 59 59 LYS HE3 H 2.830 0.020 1 625 59 59 LYS C C 178.404 0.3 1 626 59 59 LYS CA C 58.916 0.3 1 627 59 59 LYS CB C 32.787 0.3 1 628 59 59 LYS CG C 25.445 0.3 1 629 59 59 LYS CD C 29.603 0.3 1 630 59 59 LYS CE C 42.079 0.3 1 631 59 59 LYS N N 114.611 0.3 1 632 60 60 LEU H H 7.343 0.020 1 633 60 60 LEU HA H 4.134 0.020 1 634 60 60 LEU HB2 H 1.826 0.020 1 635 60 60 LEU HB3 H 1.826 0.020 1 636 60 60 LEU HG H 1.121 0.020 1 637 60 60 LEU HD1 H 0.762 0.020 1 638 60 60 LEU HD2 H 0.762 0.020 1 639 60 60 LEU C C 179.619 0.3 1 640 60 60 LEU CA C 56.718 0.3 1 641 60 60 LEU CB C 43.124 0.3 1 642 60 60 LEU CG C 26.586 0.3 1 643 60 60 LEU CD1 C 22.183 0.3 1 644 60 60 LEU CD2 C 22.183 0.3 1 645 60 60 LEU N N 117.334 0.3 1 646 61 61 VAL H H 7.730 0.020 1 647 61 61 VAL HA H 4.444 0.020 1 648 61 61 VAL HB H 2.196 0.020 1 649 61 61 VAL HG1 H 0.224 0.020 2 650 61 61 VAL HG2 H 0.140 0.020 2 651 61 61 VAL C C 177.753 0.3 1 652 61 61 VAL CA C 61.113 0.3 1 653 61 61 VAL CB C 31.973 0.3 1 654 61 61 VAL CG1 C 19.981 0.3 1 655 61 61 VAL CG2 C 17.698 0.3 1 656 61 61 VAL N N 108.515 0.3 1 657 62 62 GLU H H 7.583 0.020 1 658 62 62 GLU HA H 4.026 0.020 1 659 62 62 GLU HB2 H 2.161 0.020 1 660 62 62 GLU HB3 H 2.161 0.020 1 661 62 62 GLU HG2 H 2.256 0.020 1 662 62 62 GLU HG3 H 2.256 0.020 1 663 62 62 GLU C C 176.602 0.3 1 664 62 62 GLU CA C 59.241 0.3 1 665 62 62 GLU CB C 29.205 0.3 1 666 62 62 GLU CG C 35.556 0.3 1 667 62 62 GLU N N 123.907 0.3 1 668 63 63 ASP H H 8.584 0.020 1 669 63 63 ASP HA H 4.374 0.020 1 670 63 63 ASP HB2 H 2.867 0.020 2 671 63 63 ASP HB3 H 2.674 0.020 2 672 63 63 ASP C C 177.557 0.3 1 673 63 63 ASP CA C 54.927 0.3 1 674 63 63 ASP CB C 40.031 0.3 1 675 63 63 ASP N N 118.203 0.3 1 676 64 64 GLY H H 8.036 0.020 1 677 64 64 GLY HA2 H 4.061 0.020 2 678 64 64 GLY HA3 H 3.858 0.020 2 679 64 64 GLY C C 173.281 0.3 1 680 64 64 GLY CA C 46.317 0.3 1 681 64 64 GLY N N 107.534 0.3 1 682 65 65 LYS H H 8.197 0.020 1 683 65 65 LYS HA H 4.206 0.020 1 684 65 65 LYS HB2 H 1.790 0.020 1 685 65 65 LYS HB3 H 1.790 0.020 1 686 65 65 LYS HG2 H 1.264 0.020 1 687 65 65 LYS HG3 H 1.264 0.020 1 688 65 65 LYS HD2 H 1.562 0.020 1 689 65 65 LYS HD3 H 1.562 0.020 1 690 65 65 LYS HE2 H 2.937 0.020 1 691 65 65 LYS HE3 H 2.937 0.020 1 692 65 65 LYS C C 176.233 0.3 1 693 65 65 LYS CA C 56.473 0.3 1 694 65 65 LYS CB C 34.051 0.3 1 695 65 65 LYS CG C 25.036 0.3 1 696 65 65 LYS CD C 29.359 0.3 1 697 65 65 LYS CE C 42.405 0.3 1 698 65 65 LYS N N 115.632 0.3 1 699 66 66 GLU H H 7.775 0.020 1 700 66 66 GLU HA H 4.254 0.020 1 701 66 66 GLU HB2 H 1.636 0.020 1 702 66 66 GLU HB3 H 1.636 0.020 1 703 66 66 GLU HG2 H 2.459 0.020 2 704 66 66 GLU HG3 H 2.460 0.020 2 705 66 66 GLU C C 174.063 0.3 1 706 66 66 GLU CA C 55.823 0.3 1 707 66 66 GLU CB C 33.031 0.3 1 708 66 66 GLU CG C 35.800 0.3 1 709 66 66 GLU N N 118.786 0.3 1 710 67 67 CYS H H 7.586 0.020 1 711 67 67 CYS HA H 4.206 0.020 1 712 67 67 CYS HB2 H 1.515 0.020 2 713 67 67 CYS HB3 H 1.515 0.020 2 714 67 67 CYS C C 175.517 0.3 1 715 67 67 CYS CA C 56.431 0.3 1 716 67 67 CYS CB C 29.465 0.3 1 717 67 67 CYS N N 114.372 0.3 1 718 68 68 ARG H H 7.682 0.020 1 719 68 68 ARG HA H 4.406 0.020 1 720 68 68 ARG HD2 H 2.602 0.020 1 721 68 68 ARG HD3 H 2.602 0.020 1 722 68 68 ARG C C 176.624 0.3 1 723 68 68 ARG CA C 55.334 0.3 1 724 68 68 ARG CB C 32.376 0.3 1 725 68 68 ARG N N 117.544 0.3 1 726 69 69 TYR H H 8.139 0.020 1 727 69 69 TYR HA H 5.819 0.020 1 728 69 69 TYR HB2 H 2.819 0.020 1 729 69 69 TYR HB3 H 2.819 0.020 1 730 69 69 TYR HD1 H 6.967 0.020 1 731 69 69 TYR HD2 H 6.967 0.020 1 732 69 69 TYR HE1 H 6.622 0.020 1 733 69 69 TYR HE2 H 6.622 0.020 1 734 69 69 TYR C C 175.300 0.3 1 735 69 69 TYR CA C 54.379 0.3 1 736 69 69 TYR CB C 41.998 0.3 1 737 69 69 TYR CD1 C 129.750 0.3 1 738 69 69 TYR CD2 C 129.750 0.3 1 739 69 69 TYR CE1 C 115.395 0.3 1 740 69 69 TYR CE2 C 115.395 0.3 1 741 69 69 TYR N N 115.996 0.3 1 742 70 70 ALA H H 9.334 0.020 1 743 70 70 ALA HA H 5.736 0.020 1 744 70 70 ALA HB H 1.467 0.020 1 745 70 70 ALA C C 174.367 0.3 1 746 70 70 ALA CA C 52.458 0.3 1 747 70 70 ALA CB C 24.158 0.3 1 748 70 70 ALA N N 121.451 0.3 1 749 71 71 ALA H H 9.059 0.020 1 750 71 71 ALA HA H 5.868 0.020 1 751 71 71 ALA HB H 1.599 0.020 1 752 71 71 ALA C C 175.495 0.3 1 753 71 71 ALA CA C 51.091 0.3 1 754 71 71 ALA CB C 21.554 0.3 1 755 71 71 ALA N N 121.815 0.3 1 756 72 72 VAL H H 8.665 0.020 1 757 72 72 VAL HA H 4.505 0.020 1 758 72 72 VAL HB H 1.527 0.020 1 759 72 72 VAL HG1 H 0.689 0.020 2 760 72 72 VAL HG2 H -0.111 0.020 2 761 72 72 VAL C C 173.194 0.3 1 762 72 72 VAL CA C 61.276 0.3 1 763 72 72 VAL CB C 35.066 0.3 1 764 72 72 VAL CG1 C 21.123 0.3 1 765 72 72 VAL CG2 C 19.329 0.3 1 766 72 72 VAL N N 120.963 0.3 1 767 73 73 ASP H H 8.896 0.020 1 768 73 73 ASP HA H 4.971 0.020 1 769 73 73 ASP HB2 H 3.058 0.020 2 770 73 73 ASP HB3 H 2.257 0.020 2 771 73 73 ASP C C 175.256 0.3 1 772 73 73 ASP CA C 53.891 0.3 1 773 73 73 ASP CB C 41.659 0.3 1 774 73 73 ASP N N 128.360 0.3 1 775 74 74 VAL H H 9.232 0.020 1 776 74 74 VAL HA H 4.194 0.020 1 777 74 74 VAL HB H 2.089 0.020 1 778 74 74 VAL HG1 H 0.917 0.020 2 779 74 74 VAL HG2 H 0.702 0.020 2 780 74 74 VAL C C 173.846 0.3 1 781 74 74 VAL CA C 61.846 0.3 1 782 74 74 VAL CB C 33.682 0.3 1 783 74 74 VAL CG1 C 21.694 0.3 1 784 74 74 VAL CG2 C 22.591 0.3 1 785 74 74 VAL N N 127.568 0.3 1 786 75 75 GLU H H 8.560 0.020 1 787 75 75 GLU HA H 4.839 0.020 1 788 75 75 GLU HB2 H 1.874 0.020 1 789 75 75 GLU HB3 H 1.874 0.020 1 790 75 75 GLU HG2 H 2.094 0.020 1 791 75 75 GLU HG3 H 2.094 0.020 1 792 75 75 GLU C C 175.799 0.3 1 793 75 75 GLU CA C 55.578 0.3 1 794 75 75 GLU CB C 31.647 0.3 1 795 75 75 GLU CG C 37.431 0.3 1 796 75 75 GLU N N 126.833 0.3 1 797 76 76 VAL H H 9.032 0.020 1 798 76 76 VAL HA H 4.432 0.020 1 799 76 76 VAL HB H 1.994 0.020 1 800 76 76 VAL HG1 H 0.822 0.020 2 801 76 76 VAL HG2 H 0.750 0.020 2 802 76 76 VAL C C 174.562 0.3 1 803 76 76 VAL CA C 60.462 0.3 1 804 76 76 VAL CB C 34.822 0.3 1 805 76 76 VAL CG1 C 22.101 0.3 1 806 76 76 VAL CG2 C 20.552 0.3 1 807 76 76 VAL N N 123.421 0.3 1 808 77 77 THR H H 8.402 0.020 1 809 77 77 THR HA H 4.876 0.020 1 810 77 77 THR HB H 3.919 0.020 1 811 77 77 THR HG2 H 1.109 0.020 1 812 77 77 THR C C 173.998 0.3 1 813 77 77 THR CA C 62.172 0.3 1 814 77 77 THR CB C 70.067 0.3 1 815 77 77 THR CG2 C 21.857 0.3 1 816 77 77 THR N N 120.606 0.3 1 817 78 78 VAL H H 8.781 0.020 1 818 78 78 VAL HA H 4.384 0.020 1 819 78 78 VAL HB H 1.993 0.020 1 820 78 78 VAL HG1 H 0.797 0.020 2 821 78 78 VAL HG2 H 0.725 0.020 2 822 78 78 VAL C C 174.605 0.3 1 823 78 78 VAL CA C 60.218 0.3 1 824 78 78 VAL CB C 34.740 0.3 1 825 78 78 VAL CG1 C 21.612 0.3 1 826 78 78 VAL CG2 C 19.900 0.3 1 827 78 78 VAL N N 122.942 0.3 1 828 79 79 GLN H H 8.527 0.020 1 829 79 79 GLN HA H 4.380 0.020 1 830 79 79 GLN HB2 H 1.885 0.020 1 831 79 79 GLN HB3 H 1.885 0.020 1 832 79 79 GLN HG2 H 2.030 0.020 1 833 79 79 GLN HG3 H 2.030 0.020 1 834 79 79 GLN C C 175.647 0.3 1 835 79 79 GLN CA C 55.578 0.3 1 836 79 79 GLN CB C 29.531 0.3 1 837 79 79 GLN CG C 33.762 0.3 1 838 79 79 GLN N N 123.562 0.3 1 839 80 80 ARG H H 8.516 0.020 1 840 80 80 ARG HA H 4.277 0.020 1 841 80 80 ARG HB2 H 1.731 0.020 2 842 80 80 ARG HB3 H 1.574 0.020 2 843 80 80 ARG HG2 H 1.479 0.020 2 844 80 80 ARG HG3 H 1.478 0.020 2 845 80 80 ARG HD2 H 3.070 0.020 1 846 80 80 ARG HD3 H 3.070 0.020 1 847 80 80 ARG C C 175.864 0.3 1 848 80 80 ARG CA C 55.904 0.3 1 849 80 80 ARG CB C 31.322 0.3 1 850 80 80 ARG CG C 27.646 0.3 1 851 80 80 ARG CD C 43.465 0.3 1 852 80 80 ARG N N 125.030 0.3 1 853 81 81 GLN H H 8.609 0.020 1 854 81 81 GLN HA H 4.205 0.020 1 855 81 81 GLN HB2 H 1.993 0.020 1 856 81 81 GLN HB3 H 1.993 0.020 1 857 81 81 GLN HG2 H 2.339 0.020 1 858 81 81 GLN HG3 H 2.339 0.020 1 859 81 81 GLN C C 176.776 0.3 1 860 81 81 GLN CA C 56.625 0.3 1 861 81 81 GLN CB C 28.880 0.3 1 862 81 81 GLN CG C 33.843 0.3 1 863 81 81 GLN N N 122.473 0.3 1 864 82 82 GLY H H 8.766 0.020 1 865 82 82 GLY HA2 H 4.014 0.020 2 866 82 82 GLY HA3 H 3.739 0.020 2 867 82 82 GLY C C 173.498 0.3 1 868 82 82 GLY CA C 45.729 0.3 1 869 82 82 GLY N N 112.685 0.3 1 870 83 83 ALA H H 7.965 0.020 1 871 83 83 ALA HA H 4.409 0.020 1 872 83 83 ALA HB H 1.336 0.020 1 873 83 83 ALA C C 176.971 0.3 1 874 83 83 ALA CA C 52.165 0.3 1 875 83 83 ALA CB C 20.251 0.3 1 876 83 83 ALA N N 123.093 0.3 1 877 84 84 GLU H H 8.390 0.020 1 878 84 84 GLU HA H 4.254 0.020 1 879 84 84 GLU HB2 H 2.028 0.020 2 880 84 84 GLU HB3 H 1.922 0.020 2 881 84 84 GLU HG2 H 2.233 0.020 2 882 84 84 GLU HG3 H 2.232 0.020 2 883 84 84 GLU C C 176.928 0.3 1 884 84 84 GLU CA C 57.044 0.3 1 885 84 84 GLU CB C 30.426 0.3 1 886 84 84 GLU CG C 36.534 0.3 1 887 84 84 GLU N N 118.929 0.3 1 888 85 85 GLY H H 8.220 0.020 1 889 85 85 GLY HA2 H 4.146 0.020 2 890 85 85 GLY HA3 H 3.967 0.020 2 891 85 85 GLY C C 173.607 0.3 1 892 85 85 GLY CA C 44.997 0.3 1 893 85 85 GLY N N 109.042 0.3 1 894 86 86 THR H H 8.172 0.020 1 895 86 86 THR HA H 4.792 0.020 1 896 86 86 THR HB H 4.097 0.020 1 897 86 86 THR HG2 H 1.060 0.020 1 898 86 86 THR C C 174.280 0.3 1 899 86 86 THR CA C 61.113 0.3 1 900 86 86 THR CB C 71.532 0.3 1 901 86 86 THR CG2 C 21.775 0.3 1 902 86 86 THR N N 112.014 0.3 1 903 87 87 SER H H 8.782 0.020 1 904 87 87 SER HA H 4.744 0.020 1 905 87 87 SER HB2 H 3.740 0.020 2 906 87 87 SER HB3 H 3.680 0.020 2 907 87 87 SER C C 172.956 0.3 1 908 87 87 SER CA C 57.532 0.3 1 909 87 87 SER CB C 65.428 0.3 1 910 87 87 SER N N 117.161 0.3 1 911 88 88 THR H H 8.404 0.020 1 912 88 88 THR HA H 5.151 0.020 1 913 88 88 THR HB H 3.895 0.020 1 914 88 88 THR HG2 H 1.061 0.020 1 915 88 88 THR C C 173.650 0.3 1 916 88 88 THR CA C 61.439 0.3 1 917 88 88 THR CB C 71.125 0.3 1 918 88 88 THR CG2 C 22.101 0.3 1 919 88 88 THR N N 116.763 0.3 1 920 89 89 LEU H H 9.039 0.020 1 921 89 89 LEU HA H 4.612 0.020 1 922 89 89 LEU HB2 H 1.563 0.020 2 923 89 89 LEU HB3 H 1.491 0.020 2 924 89 89 LEU HG H 1.466 0.020 1 925 89 89 LEU HD1 H 0.798 0.020 1 926 89 89 LEU HD2 H 0.798 0.020 1 927 89 89 LEU C C 174.171 0.3 1 928 89 89 LEU CA C 54.184 0.3 1 929 89 89 LEU CB C 45.078 0.3 1 930 89 89 LEU CG C 27.075 0.3 1 931 89 89 LEU CD1 C 25.118 0.3 1 932 89 89 LEU CD2 C 25.118 0.3 1 933 89 89 LEU N N 126.308 0.3 1 934 90 90 ASN H H 8.347 0.020 1 935 90 90 ASN HA H 5.641 0.020 1 936 90 90 ASN HB2 H 2.867 0.020 2 937 90 90 ASN HB3 H 2.340 0.020 2 938 90 90 ASN C C 174.757 0.3 1 939 90 90 ASN CA C 53.381 0.3 1 940 90 90 ASN CB C 40.764 0.3 1 941 90 90 ASN N N 120.749 0.3 1 942 91 91 LYS H H 9.087 0.020 1 943 91 91 LYS HA H 4.696 0.020 1 944 91 91 LYS HB2 H 1.719 0.020 1 945 91 91 LYS HB3 H 1.719 0.020 1 946 91 91 LYS HG2 H 1.288 0.020 1 947 91 91 LYS HG3 H 1.288 0.020 1 948 91 91 LYS HD2 H 1.574 0.020 1 949 91 91 LYS HD3 H 1.574 0.020 1 950 91 91 LYS HE2 H 2.818 0.020 1 951 91 91 LYS HE3 H 2.818 0.020 1 952 91 91 LYS C C 173.629 0.3 1 953 91 91 LYS CA C 54.314 0.3 1 954 91 91 LYS CB C 36.531 0.3 1 955 91 91 LYS CG C 24.711 0.3 1 956 91 91 LYS CD C 29.195 0.3 1 957 91 91 LYS CE C 42.487 0.3 1 958 91 91 LYS N N 123.843 0.3 1 959 92 92 VAL H H 8.479 0.020 1 960 92 92 VAL HA H 5.103 0.020 1 961 92 92 VAL HB H 2.136 0.020 1 962 92 92 VAL HG1 H 1.121 0.020 2 963 92 92 VAL HG2 H 0.989 0.020 2 964 92 92 VAL C C 175.517 0.3 1 965 92 92 VAL CA C 61.683 0.3 1 966 92 92 VAL CB C 31.973 0.3 1 967 92 92 VAL CG1 C 22.917 0.3 1 968 92 92 VAL CG2 C 22.917 0.3 1 969 92 92 VAL N N 123.150 0.3 1 970 93 93 ILE H H 9.155 0.020 1 971 93 93 ILE HA H 5.354 0.020 1 972 93 93 ILE HB H 2.006 0.020 1 973 93 93 ILE HG12 H 0.989 0.020 1 974 93 93 ILE HG13 H 0.989 0.020 1 975 93 93 ILE HG2 H 0.774 0.020 1 976 93 93 ILE HD1 H 0.774 0.020 1 977 93 93 ILE C C 174.215 0.3 1 978 93 93 ILE CA C 59.262 0.3 1 979 93 93 ILE CB C 41.008 0.3 1 980 93 93 ILE CG1 C 26.586 0.3 1 981 93 93 ILE CG2 C 18.921 0.3 1 982 93 93 ILE CD1 C 14.192 0.3 1 983 93 93 ILE N N 120.433 0.3 1 984 94 94 PHE H H 9.002 0.020 1 985 94 94 PHE HA H 5.581 0.020 1 986 94 94 PHE HB2 H 2.889 0.020 1 987 94 94 PHE HB3 H 2.889 0.020 1 988 94 94 PHE HD1 H 7.242 0.020 1 989 94 94 PHE HD2 H 7.242 0.020 1 990 94 94 PHE HE1 H 7.242 0.020 1 991 94 94 PHE HE2 H 7.242 0.020 1 992 94 94 PHE C C 173.042 0.3 1 993 94 94 PHE CA C 56.397 0.3 1 994 94 94 PHE CB C 42.392 0.3 1 995 94 94 PHE CD1 C 129.706 0.3 1 996 94 94 PHE CD2 C 129.706 0.3 1 997 94 94 PHE CE1 C 129.706 0.3 1 998 94 94 PHE CE2 C 129.706 0.3 1 999 94 94 PHE N N 122.349 0.3 1 1000 95 95 VAL H H 8.978 0.020 1 1001 95 95 VAL HA H 4.706 0.020 1 1002 95 95 VAL HB H 2.281 0.020 1 1003 95 95 VAL HG1 H 0.858 0.020 1 1004 95 95 VAL HG2 H 0.858 0.020 1 1005 95 95 VAL C C 174.128 0.3 1 1006 95 95 VAL CA C 60.508 0.3 1 1007 95 95 VAL CB C 35.554 0.3 1 1008 95 95 VAL CG1 C 21.367 0.3 1 1009 95 95 VAL CG2 C 20.470 0.3 1 1010 95 95 VAL N N 126.937 0.3 1 1011 96 96 GLN H H 8.516 0.020 1 1012 96 96 GLN HA H 4.732 0.020 1 1013 96 96 GLN HB2 H 2.113 0.020 1 1014 96 96 GLN HB3 H 2.113 0.020 1 1015 96 96 GLN HG2 H 2.281 0.020 1 1016 96 96 GLN HG3 H 2.281 0.020 1 1017 96 96 GLN C C 172.912 0.3 1 1018 96 96 GLN CA C 55.421 0.3 1 1019 96 96 GLN CB C 31.403 0.3 1 1020 96 96 GLN CG C 35.230 0.3 1 1021 96 96 GLN N N 124.946 0.3 1 1022 97 97 TYR H H 9.030 0.020 1 1023 97 97 TYR HA H 5.019 0.020 1 1024 97 97 TYR HB2 H 2.997 0.020 2 1025 97 97 TYR HB3 H 2.006 0.020 2 1026 97 97 TYR HD1 H 6.560 0.020 1 1027 97 97 TYR HD2 H 6.560 0.020 1 1028 97 97 TYR HE1 H 6.296 0.020 1 1029 97 97 TYR HE2 H 6.296 0.020 1 1030 97 97 TYR C C 174.844 0.3 1 1031 97 97 TYR CA C 57.244 0.3 1 1032 97 97 TYR CB C 41.252 0.3 1 1033 97 97 TYR CD1 C 129.150 0.3 1 1034 97 97 TYR CD2 C 129.150 0.3 1 1035 97 97 TYR CE1 C 114.838 0.3 1 1036 97 97 TYR CE2 C 114.838 0.3 1 1037 97 97 TYR N N 129.236 0.3 1 1038 98 98 CYS H H 8.227 0.020 1 1039 98 98 CYS HA H 4.732 0.020 1 1040 98 98 CYS HB2 H 2.655 0.020 2 1041 98 98 CYS HB3 H 2.651 0.020 2 1042 98 98 CYS CA C 54.602 0.3 1 1043 98 98 CYS CB C 29.042 0.3 1 1044 98 98 CYS N N 127.084 0.3 1 1045 99 99 PRO HA H 4.743 0.020 1 1046 99 99 PRO HB2 H 2.076 0.020 1 1047 99 99 PRO HB3 H 2.076 0.020 1 1048 99 99 PRO HG2 H 2.221 0.020 1 1049 99 99 PRO HG3 H 2.221 0.020 1 1050 99 99 PRO C C 177.492 0.3 1 1051 99 99 PRO CA C 62.579 0.3 1 1052 99 99 PRO CB C 32.461 0.3 1 1053 99 99 PRO CG C 27.075 0.3 1 1054 100 100 ASP H H 8.584 0.020 1 1055 100 100 ASP HA H 4.218 0.020 1 1056 100 100 ASP HB2 H 2.590 0.020 2 1057 100 100 ASP HB3 H 2.507 0.020 2 1058 100 100 ASP C C 176.993 0.3 1 1059 100 100 ASP CA C 57.369 0.3 1 1060 100 100 ASP CB C 40.682 0.3 1 1061 100 100 ASP N N 120.420 0.3 1 1062 101 101 ASN H H 8.055 0.020 1 1063 101 101 ASN HA H 4.791 0.020 1 1064 101 101 ASN HB2 H 2.866 0.020 2 1065 101 101 ASN HB3 H 2.746 0.020 2 1066 101 101 ASN C C 175.256 0.3 1 1067 101 101 ASN CA C 52.784 0.3 1 1068 101 101 ASN CB C 38.078 0.3 1 1069 101 101 ASN N N 112.580 0.3 1 1070 102 102 ALA H H 7.207 0.020 1 1071 102 102 ALA HA H 4.541 0.020 1 1072 102 102 ALA HB H 1.085 0.020 1 1073 102 102 ALA CA C 51.547 0.3 1 1074 102 102 ALA CB C 17.402 0.3 1 1075 102 102 ALA N N 123.140 0.3 1 1076 103 103 PRO HA H 4.432 0.020 1 1077 103 103 PRO HB2 H 2.519 0.020 1 1078 103 103 PRO HB3 H 2.519 0.020 1 1079 103 103 PRO HG2 H 2.160 0.020 2 1080 103 103 PRO HG3 H 1.886 0.020 2 1081 103 103 PRO C C 178.208 0.3 1 1082 103 103 PRO CA C 63.148 0.3 1 1083 103 103 PRO CB C 32.380 0.3 1 1084 103 103 PRO CG C 28.135 0.3 1 1085 104 104 VAL H H 8.747 0.020 1 1086 104 104 VAL HA H 3.596 0.020 1 1087 104 104 VAL HB H 2.113 0.020 1 1088 104 104 VAL HG1 H 1.073 0.020 2 1089 104 104 VAL HG2 H 1.001 0.020 2 1090 104 104 VAL C C 177.210 0.3 1 1091 104 104 VAL CA C 66.893 0.3 1 1092 104 104 VAL CB C 31.973 0.3 1 1093 104 104 VAL CG1 C 22.427 0.3 1 1094 104 104 VAL CG2 C 20.470 0.3 1 1095 104 104 VAL N N 125.953 0.3 1 1096 105 105 ARG H H 8.866 0.020 1 1097 105 105 ARG HA H 4.085 0.020 1 1098 105 105 ARG HB2 H 1.849 0.020 2 1099 105 105 ARG HB3 H 1.765 0.020 2 1100 105 105 ARG HG2 H 1.646 0.020 1 1101 105 105 ARG HG3 H 1.646 0.020 1 1102 105 105 ARG HD2 H 3.200 0.020 1 1103 105 105 ARG HD3 H 3.200 0.020 1 1104 105 105 ARG C C 179.185 0.3 1 1105 105 105 ARG CA C 59.648 0.3 1 1106 105 105 ARG CB C 29.694 0.3 1 1107 105 105 ARG CG C 27.728 0.3 1 1108 105 105 ARG CD C 43.384 0.3 1 1109 105 105 ARG N N 118.556 0.3 1 1110 106 106 ARG H H 7.140 0.020 1 1111 106 106 ARG HA H 4.218 0.020 1 1112 106 106 ARG HB2 H 2.041 0.020 1 1113 106 106 ARG HB3 H 2.041 0.020 1 1114 106 106 ARG HG2 H 1.838 0.020 1 1115 106 106 ARG HG3 H 1.838 0.020 1 1116 106 106 ARG HD2 H 3.166 0.020 1 1117 106 106 ARG HD3 H 3.166 0.020 1 1118 106 106 ARG C C 177.991 0.3 1 1119 106 106 ARG CA C 58.579 0.3 1 1120 106 106 ARG CB C 30.101 0.3 1 1121 106 106 ARG CG C 26.831 0.3 1 1122 106 106 ARG CD C 43.139 0.3 1 1123 106 106 ARG N N 118.188 0.3 1 1124 107 107 ARG H H 8.246 0.020 1 1125 107 107 ARG HA H 4.015 0.020 1 1126 107 107 ARG HB2 H 1.801 0.020 1 1127 107 107 ARG HB3 H 1.801 0.020 1 1128 107 107 ARG HG2 H 1.538 0.020 2 1129 107 107 ARG HG3 H 1.384 0.020 2 1130 107 107 ARG HD2 H 3.212 0.020 2 1131 107 107 ARG HD3 H 3.070 0.020 2 1132 107 107 ARG C C 179.424 0.3 1 1133 107 107 ARG CA C 60.625 0.3 1 1134 107 107 ARG CB C 30.263 0.3 1 1135 107 107 ARG CG C 28.543 0.3 1 1136 107 107 ARG CD C 43.547 0.3 1 1137 107 107 ARG N N 119.484 0.3 1 1138 108 108 MET H H 8.599 0.020 1 1139 108 108 MET HA H 4.218 0.020 1 1140 108 108 MET HB2 H 2.120 0.020 1 1141 108 108 MET HB3 H 2.120 0.020 1 1142 108 108 MET HG2 H 2.783 0.020 2 1143 108 108 MET HG3 H 2.568 0.020 2 1144 108 108 MET C C 178.968 0.3 1 1145 108 108 MET CA C 58.671 0.3 1 1146 108 108 MET CB C 32.380 0.3 1 1147 108 108 MET N N 117.193 0.3 1 1148 109 109 LEU H H 7.924 0.020 1 1149 109 109 LEU HA H 4.194 0.020 1 1150 109 109 LEU HB2 H 1.922 0.020 1 1151 109 109 LEU HB3 H 1.922 0.020 1 1152 109 109 LEU HG H 1.802 0.020 1 1153 109 109 LEU HD1 H 0.822 0.020 1 1154 109 109 LEU HD2 H 0.822 0.020 1 1155 109 109 LEU C C 180.444 0.3 1 1156 109 109 LEU CA C 58.183 0.3 1 1157 109 109 LEU CB C 42.392 0.3 1 1158 109 109 LEU CG C 26.831 0.3 1 1159 109 109 LEU CD1 C 25.852 0.3 1 1160 109 109 LEU CD2 C 23.400 0.3 1 1161 109 109 LEU N N 123.421 0.3 1 1162 110 110 TYR H H 8.761 0.020 1 1163 110 110 TYR HA H 4.193 0.020 1 1164 110 110 TYR HB2 H 3.081 0.020 2 1165 110 110 TYR HB3 H 2.638 0.020 2 1166 110 110 TYR HD1 H 7.062 0.020 1 1167 110 110 TYR HD2 H 7.062 0.020 1 1168 110 110 TYR HE1 H 6.739 0.020 1 1169 110 110 TYR HE2 H 6.739 0.020 1 1170 110 110 TYR C C 180.574 0.3 1 1171 110 110 TYR CA C 61.602 0.3 1 1172 110 110 TYR CB C 37.833 0.3 1 1173 110 110 TYR CD1 C 130.262 0.3 1 1174 110 110 TYR CD2 C 130.262 0.3 1 1175 110 110 TYR CE1 C 114.737 0.3 1 1176 110 110 TYR CE2 C 114.737 0.3 1 1177 110 110 TYR N N 120.798 0.3 1 1178 111 111 ALA H H 8.668 0.020 1 1179 111 111 ALA HA H 4.362 0.020 1 1180 111 111 ALA HB H 1.587 0.020 1 1181 111 111 ALA C C 180.314 0.3 1 1182 111 111 ALA CA C 55.660 0.3 1 1183 111 111 ALA CB C 18.461 0.3 1 1184 111 111 ALA N N 123.703 0.3 1 1185 112 112 SER H H 8.532 0.020 1 1186 112 112 SER HA H 4.360 0.020 1 1187 112 112 SER HB2 H 4.002 0.020 1 1188 112 112 SER HB3 H 4.002 0.020 1 1189 112 112 SER C C 176.949 0.3 1 1190 112 112 SER CA C 60.869 0.3 1 1191 112 112 SER CB C 63.474 0.3 1 1192 112 112 SER N N 112.404 0.3 1 1193 113 113 SER H H 7.607 0.020 1 1194 113 113 SER HA H 4.552 0.020 1 1195 113 113 SER HB2 H 3.978 0.020 1 1196 113 113 SER HB3 H 3.978 0.020 1 1197 113 113 SER C C 173.390 0.3 1 1198 113 113 SER CA C 60.218 0.3 1 1199 113 113 SER CB C 63.393 0.3 1 1200 113 113 SER N N 115.828 0.3 1 1201 114 114 VAL H H 6.999 0.020 1 1202 114 114 VAL HA H 3.357 0.020 1 1203 114 114 VAL HB H 2.305 0.020 1 1204 114 114 VAL HG1 H 0.953 0.020 2 1205 114 114 VAL HG2 H 1.061 0.020 2 1206 114 114 VAL C C 176.016 0.3 1 1207 114 114 VAL CA C 64.614 0.3 1 1208 114 114 VAL CB C 31.891 0.3 1 1209 114 114 VAL CG1 C 24.548 0.3 1 1210 114 114 VAL CG2 C 19.818 0.3 1 1211 114 114 VAL N N 119.484 0.3 1 1212 115 115 ARG H H 7.740 0.020 1 1213 115 115 ARG HA H 3.700 0.020 1 1214 115 115 ARG HB2 H 1.789 0.020 1 1215 115 115 ARG HB3 H 1.789 0.020 1 1216 115 115 ARG HG2 H 1.658 0.020 2 1217 115 115 ARG HG3 H 1.538 0.020 2 1218 115 115 ARG HD2 H 3.165 0.020 1 1219 115 115 ARG HD3 H 3.165 0.020 1 1220 115 115 ARG C C 178.360 0.3 1 1221 115 115 ARG CA C 59.892 0.3 1 1222 115 115 ARG CB C 29.205 0.3 1 1223 115 115 ARG CG C 27.400 0.3 1 1224 115 115 ARG CD C 43.465 0.3 1 1225 115 115 ARG N N 121.686 0.3 1 1226 116 116 ALA H H 7.737 0.020 1 1227 116 116 ALA HA H 4.039 0.020 1 1228 116 116 ALA HB H 1.324 0.020 1 1229 116 116 ALA C C 180.335 0.3 1 1230 116 116 ALA CA C 54.764 0.3 1 1231 116 116 ALA CB C 17.891 0.3 1 1232 116 116 ALA N N 121.346 0.3 1 1233 117 117 LEU H H 6.785 0.020 1 1234 117 117 LEU HA H 3.655 0.020 1 1235 117 117 LEU HB2 H 1.435 0.020 1 1236 117 117 LEU HB3 H 1.435 0.020 1 1237 117 117 LEU HG H 1.435 0.020 1 1238 117 117 LEU HD1 H 0.893 0.020 2 1239 117 117 LEU HD2 H 0.726 0.020 2 1240 117 117 LEU C C 177.449 0.3 1 1241 117 117 LEU CA C 57.857 0.3 1 1242 117 117 LEU CB C 41.578 0.3 1 1243 117 117 LEU CG C 25.852 0.3 1 1244 117 117 LEU CD1 C 23.324 0.3 1 1245 117 117 LEU CD2 C 23.324 0.3 1 1246 117 117 LEU N N 119.203 0.3 1 1247 118 118 LYS H H 8.132 0.020 1 1248 118 118 LYS HA H 4.362 0.020 1 1249 118 118 LYS HB2 H 1.778 0.020 1 1250 118 118 LYS HB3 H 1.778 0.020 1 1251 118 118 LYS HG2 H 0.810 0.020 1 1252 118 118 LYS HG3 H 0.810 0.020 1 1253 118 118 LYS HD2 H 1.145 0.020 1 1254 118 118 LYS HD3 H 1.145 0.020 1 1255 118 118 LYS HE2 H 3.178 0.020 1 1256 118 118 LYS HE3 H 3.178 0.020 1 1257 118 118 LYS C C 178.686 0.3 1 1258 118 118 LYS CA C 59.974 0.3 1 1259 118 118 LYS CB C 32.461 0.3 1 1260 118 118 LYS CG C 25.363 0.3 1 1261 118 118 LYS CD C 30.000 0.3 1 1262 118 118 LYS CE C 39.715 0.3 1 1263 118 118 LYS N N 114.804 0.3 1 1264 119 119 ALA H H 8.068 0.020 1 1265 119 119 ALA HA H 4.157 0.020 1 1266 119 119 ALA HB H 1.348 0.020 1 1267 119 119 ALA C C 180.183 0.3 1 1268 119 119 ALA CA C 54.439 0.3 1 1269 119 119 ALA CB C 18.379 0.3 1 1270 119 119 ALA N N 119.833 0.3 1 1271 120 120 SER H H 7.713 0.020 1 1272 120 120 SER HA H 4.073 0.020 1 1273 120 120 SER HB2 H 3.846 0.020 2 1274 120 120 SER HB3 H 3.655 0.020 2 1275 120 120 SER C C 175.799 0.3 1 1276 120 120 SER CA C 61.602 0.3 1 1277 120 120 SER CB C 63.555 0.3 1 1278 120 120 SER N N 112.312 0.3 1 1279 121 121 LEU H H 7.272 0.020 1 1280 121 121 LEU HA H 4.085 0.020 1 1281 121 121 LEU HB2 H 1.060 0.020 2 1282 121 121 LEU HB3 H 0.880 0.020 2 1283 121 121 LEU HG H 1.444 0.020 1 1284 121 121 LEU HD1 H 0.415 0.020 1 1285 121 121 LEU HD2 H 0.415 0.020 1 1286 121 121 LEU C C 176.125 0.3 1 1287 121 121 LEU CA C 55.904 0.3 1 1288 121 121 LEU CB C 41.252 0.3 1 1289 121 121 LEU CG C 30.337 0.3 1 1290 121 121 LEU CD1 C 24.548 0.3 1 1291 121 121 LEU CD2 C 24.058 0.3 1 1292 121 121 LEU N N 116.812 0.3 1 1293 122 122 GLY H H 7.377 0.020 1 1294 122 122 GLY HA2 H 4.146 0.020 2 1295 122 122 GLY HA3 H 3.906 0.020 2 1296 122 122 GLY C C 176.754 0.3 1 1297 122 122 GLY CA C 47.276 0.3 1 1298 122 122 GLY N N 108.734 0.3 1 1299 123 123 LEU H H 8.201 0.020 1 1300 123 123 LEU HA H 4.145 0.020 1 1301 123 123 LEU HB2 H 1.251 0.020 1 1302 123 123 LEU HB3 H 1.251 0.020 1 1303 123 123 LEU HG H 0.905 0.020 1 1304 123 123 LEU HD1 H -0.148 0.020 1 1305 123 123 LEU HD2 H -0.148 0.020 1 1306 123 123 LEU C C 178.187 0.3 1 1307 123 123 LEU CA C 53.950 0.3 1 1308 123 123 LEU CB C 41.903 0.3 1 1309 123 123 LEU CG C 25.608 0.3 1 1310 123 123 LEU CD1 C 24.792 0.3 1 1311 123 123 LEU CD2 C 24.792 0.3 1 1312 123 123 LEU N N 116.950 0.3 1 1313 124 124 GLU H H 9.213 0.020 1 1314 124 124 GLU HA H 3.704 0.020 1 1315 124 124 GLU HB2 H 2.052 0.020 2 1316 124 124 GLU HB3 H 1.933 0.020 2 1317 124 124 GLU HG2 H 2.220 0.020 1 1318 124 124 GLU HG3 H 2.220 0.020 1 1319 124 124 GLU C C 176.970 0.3 1 1320 124 124 GLU CA C 60.462 0.3 1 1321 124 124 GLU CB C 29.205 0.3 1 1322 124 124 GLU CG C 36.616 0.3 1 1323 124 124 GLU N N 120.328 0.3 1 1324 125 125 SER H H 8.308 0.020 1 1325 125 125 SER HA H 4.456 0.020 1 1326 125 125 SER HB2 H 3.906 0.020 1 1327 125 125 SER HB3 H 3.906 0.020 1 1328 125 125 SER C C 174.475 0.3 1 1329 125 125 SER CA C 58.590 0.3 1 1330 125 125 SER CB C 63.555 0.3 1 1331 125 125 SER N N 110.938 0.3 1 1332 126 126 LEU H H 7.178 0.020 1 1333 126 126 LEU HA H 4.469 0.020 1 1334 126 126 LEU HB2 H 1.814 0.020 1 1335 126 126 LEU HB3 H 1.814 0.020 1 1336 126 126 LEU HG H 1.658 0.020 1 1337 126 126 LEU HD1 H 0.893 0.020 1 1338 126 126 LEU HD2 H 0.893 0.020 1 1339 126 126 LEU C C 177.774 0.3 1 1340 126 126 LEU CA C 54.927 0.3 1 1341 126 126 LEU CB C 42.066 0.3 1 1342 126 126 LEU CG C 26.994 0.3 1 1343 126 126 LEU CD1 C 20.960 0.3 1 1344 126 126 LEU CD2 C 20.960 0.3 1 1345 126 126 LEU N N 121.193 0.3 1 1346 127 127 PHE H H 9.050 0.020 1 1347 127 127 PHE HA H 4.348 0.020 1 1348 127 127 PHE HB2 H 3.176 0.020 2 1349 127 127 PHE HB3 H 2.877 0.020 2 1350 127 127 PHE HD1 H 7.180 0.020 1 1351 127 127 PHE HD2 H 7.180 0.020 1 1352 127 127 PHE HE1 H 7.180 0.020 1 1353 127 127 PHE HE2 H 7.180 0.020 1 1354 127 127 PHE C C 173.542 0.3 1 1355 127 127 PHE CA C 59.816 0.3 1 1356 127 127 PHE CB C 39.950 0.3 1 1357 127 127 PHE CD1 C 128.037 0.3 1 1358 127 127 PHE CD2 C 128.037 0.3 1 1359 127 127 PHE CE1 C 128.037 0.3 1 1360 127 127 PHE CE2 C 128.037 0.3 1 1361 127 127 PHE N N 125.109 0.3 1 1362 128 128 GLN H H 7.618 0.020 1 1363 128 128 GLN HA H 5.510 0.020 1 1364 128 128 GLN HB2 H 1.969 0.020 2 1365 128 128 GLN HB3 H 1.837 0.020 2 1366 128 128 GLN HG2 H 2.244 0.020 1 1367 128 128 GLN HG3 H 2.244 0.020 1 1368 128 128 GLN C C 174.736 0.3 1 1369 128 128 GLN CA C 53.532 0.3 1 1370 128 128 GLN CB C 31.973 0.3 1 1371 128 128 GLN CG C 34.007 0.3 1 1372 128 128 GLN N N 125.953 0.3 1 1373 129 129 VAL H H 8.948 0.020 1 1374 129 129 VAL HA H 4.075 0.020 1 1375 129 129 VAL HB H 1.946 0.020 1 1376 129 129 VAL HG1 H 1.061 0.020 2 1377 129 129 VAL HG2 H 0.881 0.020 2 1378 129 129 VAL C C 174.736 0.3 1 1379 129 129 VAL CA C 61.439 0.3 1 1380 129 129 VAL CB C 34.984 0.3 1 1381 129 129 VAL CG1 C 21.775 0.3 1 1382 129 129 VAL CG2 C 20.797 0.3 1 1383 129 129 VAL N N 123.703 0.3 1 1384 130 130 GLN H H 8.988 0.020 1 1385 130 130 GLN HA H 4.731 0.020 1 1386 130 130 GLN HB2 H 1.933 0.020 1 1387 130 130 GLN HB3 H 1.933 0.020 1 1388 130 130 GLN HG2 H 2.172 0.020 1 1389 130 130 GLN HG3 H 2.172 0.020 1 1390 130 130 GLN C C 173.780 0.3 1 1391 130 130 GLN CA C 55.009 0.3 1 1392 130 130 GLN CB C 28.391 0.3 1 1393 130 130 GLN CG C 34.088 0.3 1 1394 130 130 GLN N N 129.187 0.3 1 1395 131 131 ALA H H 8.663 0.020 1 1396 131 131 ALA HA H 4.816 0.020 1 1397 131 131 ALA HB H 1.228 0.020 1 1398 131 131 ALA C C 174.909 0.3 1 1399 131 131 ALA CA C 50.765 0.3 1 1400 131 131 ALA CB C 23.751 0.3 1 1401 131 131 ALA N N 127.359 0.3 1 1402 132 132 SER H H 9.369 0.020 1 1403 132 132 SER HA H 4.085 0.020 1 1404 132 132 SER HB2 H 3.858 0.020 2 1405 132 132 SER HB3 H 3.620 0.020 2 1406 132 132 SER C C 172.087 0.3 1 1407 132 132 SER CA C 57.667 0.3 1 1408 132 132 SER CB C 65.916 0.3 1 1409 132 132 SER N N 116.281 0.3 1 1410 133 133 GLU H H 7.739 0.020 1 1411 133 133 GLU HA H 4.827 0.020 1 1412 133 133 GLU HB2 H 1.885 0.020 1 1413 133 133 GLU HB3 H 1.885 0.020 1 1414 133 133 GLU HG2 H 2.196 0.020 2 1415 133 133 GLU HG3 H 2.112 0.020 2 1416 133 133 GLU C C 177.666 0.3 1 1417 133 133 GLU CA C 54.998 0.3 1 1418 133 133 GLU CB C 33.112 0.3 1 1419 133 133 GLU CG C 35.474 0.3 1 1420 133 133 GLU N N 119.487 0.3 1 1421 134 134 MET H H 9.143 0.020 1 1422 134 134 MET HA H 4.529 0.020 1 1423 134 134 MET HB2 H 2.040 0.020 2 1424 134 134 MET HB3 H 1.850 0.020 2 1425 134 134 MET HG2 H 2.448 0.020 2 1426 134 134 MET HG3 H 2.580 0.020 2 1427 134 134 MET C C 180.856 0.3 1 1428 134 134 MET CA C 56.593 0.3 1 1429 134 134 MET CB C 29.042 0.3 1 1430 134 134 MET CG C 31.642 0.3 1 1431 134 134 MET N N 122.237 0.3 1 1432 135 135 SER H H 8.659 0.020 1 1433 135 135 SER HA H 4.205 0.020 1 1434 135 135 SER HB2 H 4.002 0.020 2 1435 135 135 SER HB3 H 3.883 0.020 2 1436 135 135 SER C C 176.993 0.3 1 1437 135 135 SER CA C 61.216 0.3 1 1438 135 135 SER CB C 62.253 0.3 1 1439 135 135 SER N N 116.214 0.3 1 1440 136 136 ASP H H 7.861 0.020 1 1441 136 136 ASP HA H 4.553 0.020 1 1442 136 136 ASP HB2 H 2.974 0.020 2 1443 136 136 ASP HB3 H 2.783 0.020 2 1444 136 136 ASP C C 175.647 0.3 1 1445 136 136 ASP CA C 56.881 0.3 1 1446 136 136 ASP CB C 41.659 0.3 1 1447 136 136 ASP N N 122.296 0.3 1 1448 137 137 LEU H H 7.617 0.020 1 1449 137 137 LEU HA H 4.517 0.020 1 1450 137 137 LEU HB2 H 1.813 0.020 1 1451 137 137 LEU HB3 H 1.813 0.020 1 1452 137 137 LEU HG H 1.586 0.020 1 1453 137 137 LEU HD1 H 0.905 0.020 2 1454 137 137 LEU HD2 H 0.726 0.020 2 1455 137 137 LEU C C 176.038 0.3 1 1456 137 137 LEU CA C 53.218 0.3 1 1457 137 137 LEU CB C 41.822 0.3 1 1458 137 137 LEU CG C 27.252 0.3 1 1459 137 137 LEU CD1 C 25.868 0.3 1 1460 137 137 LEU CD2 C 23.589 0.3 1 1461 137 137 LEU N N 113.859 0.3 1 1462 138 138 ASP H H 7.119 0.020 1 1463 138 138 ASP HA H 4.325 0.020 1 1464 138 138 ASP HB2 H 2.949 0.020 2 1465 138 138 ASP HB3 H 2.662 0.020 2 1466 138 138 ASP C C 175.842 0.3 1 1467 138 138 ASP CA C 55.985 0.3 1 1468 138 138 ASP CB C 43.287 0.3 1 1469 138 138 ASP N N 119.906 0.3 1 1470 139 139 GLU H H 8.943 0.020 1 1471 139 139 GLU HA H 3.309 0.020 1 1472 139 139 GLU HB2 H 2.160 0.020 2 1473 139 139 GLU HB3 H 2.161 0.020 2 1474 139 139 GLU HG2 H 1.982 0.020 2 1475 139 139 GLU HG3 H 1.527 0.020 2 1476 139 139 GLU C C 177.275 0.3 1 1477 139 139 GLU CA C 60.299 0.3 1 1478 139 139 GLU CB C 30.508 0.3 1 1479 139 139 GLU CG C 35.311 0.3 1 1480 139 139 GLU N N 128.062 0.3 1 1481 140 140 LYS H H 8.243 0.020 1 1482 140 140 LYS HA H 3.894 0.020 1 1483 140 140 LYS HB2 H 1.873 0.020 2 1484 140 140 LYS HB3 H 1.801 0.020 2 1485 140 140 LYS HG2 H 1.491 0.020 2 1486 140 140 LYS HG3 H 1.372 0.020 2 1487 140 140 LYS HD2 H 1.659 0.020 1 1488 140 140 LYS HD3 H 1.659 0.020 1 1489 140 140 LYS HE2 H 2.961 0.020 1 1490 140 140 LYS HE3 H 2.961 0.020 1 1491 140 140 LYS C C 179.771 0.3 1 1492 140 140 LYS CA C 59.555 0.3 1 1493 140 140 LYS CB C 31.973 0.3 1 1494 140 140 LYS CG C 25.280 0.3 1 1495 140 140 LYS CD C 29.440 0.3 1 1496 140 140 LYS CE C 42.161 0.3 1 1497 140 140 LYS N N 115.993 0.3 1 1498 141 141 SER H H 7.856 0.020 1 1499 141 141 SER HA H 4.184 0.020 1 1500 141 141 SER HB2 H 4.027 0.020 1 1501 141 141 SER HB3 H 4.027 0.020 1 1502 141 141 SER C C 175.973 0.3 1 1503 141 141 SER CA C 61.737 0.3 1 1504 141 141 SER CB C 62.986 0.3 1 1505 141 141 SER N N 116.877 0.3 1 1506 142 142 VAL H H 8.476 0.020 1 1507 142 142 VAL HA H 3.776 0.020 1 1508 142 142 VAL HB H 1.785 0.020 1 1509 142 142 VAL HG1 H 1.097 0.020 2 1510 142 142 VAL HG2 H 0.809 0.020 2 1511 142 142 VAL C C 178.165 0.3 1 1512 142 142 VAL CA C 66.730 0.3 1 1513 142 142 VAL CB C 32.380 0.3 1 1514 142 142 VAL CG1 C 23.161 0.3 1 1515 142 142 VAL CG2 C 20.960 0.3 1 1516 142 142 VAL N N 121.874 0.3 1 1517 143 143 LYS H H 8.157 0.020 1 1518 143 143 LYS HA H 3.619 0.020 1 1519 143 143 LYS HB2 H 1.801 0.020 1 1520 143 143 LYS HB3 H 1.801 0.020 1 1521 143 143 LYS HG2 H 1.467 0.020 1 1522 143 143 LYS HG3 H 1.467 0.020 1 1523 143 143 LYS HD2 H 1.670 0.020 1 1524 143 143 LYS HD3 H 1.670 0.020 1 1525 143 143 LYS HE2 H 2.925 0.020 1 1526 143 143 LYS HE3 H 2.925 0.020 1 1527 143 143 LYS C C 178.512 0.3 1 1528 143 143 LYS CA C 61.276 0.3 1 1529 143 143 LYS CB C 32.136 0.3 1 1530 143 143 LYS CG C 24.058 0.3 1 1531 143 143 LYS CD C 28.299 0.3 1 1532 143 143 LYS CE C 38.002 0.3 1 1533 143 143 LYS N N 116.141 0.3 1 1534 144 144 SER H H 7.754 0.020 1 1535 144 144 SER HA H 4.158 0.020 1 1536 144 144 SER HB2 H 3.990 0.020 1 1537 144 144 SER HB3 H 3.990 0.020 1 1538 144 144 SER C C 177.340 0.3 1 1539 144 144 SER CA C 61.769 0.3 1 1540 144 144 SER CB C 62.986 0.3 1 1541 144 144 SER N N 113.862 0.3 1 1542 145 145 ASP H H 8.172 0.020 1 1543 145 145 ASP HA H 4.408 0.020 1 1544 145 145 ASP HB2 H 2.950 0.020 2 1545 145 145 ASP HB3 H 2.785 0.020 2 1546 145 145 ASP C C 178.708 0.3 1 1547 145 145 ASP CA C 57.369 0.3 1 1548 145 145 ASP CB C 40.194 0.3 1 1549 145 145 ASP N N 123.316 0.3 1 1550 146 146 LEU H H 8.186 0.020 1 1551 146 146 LEU HA H 3.058 0.020 1 1552 146 146 LEU HB2 H 1.372 0.020 2 1553 146 146 LEU HB3 H 1.288 0.020 2 1554 146 146 LEU HG H 1.251 0.020 1 1555 146 146 LEU HD1 H 0.475 0.020 2 1556 146 146 LEU HD2 H 0.402 0.020 2 1557 146 146 LEU C C 178.447 0.3 1 1558 146 146 LEU CA C 57.369 0.3 1 1559 146 146 LEU CB C 42.636 0.3 1 1560 146 146 LEU CG C 26.586 0.3 1 1561 146 146 LEU CD1 C 24.711 0.3 1 1562 146 146 LEU CD2 C 24.711 0.3 1 1563 146 146 LEU N N 121.453 0.3 1 1564 147 147 MET H H 7.622 0.020 1 1565 147 147 MET HA H 4.314 0.020 1 1566 147 147 MET HB2 H 2.148 0.020 2 1567 147 147 MET HB3 H 2.064 0.020 2 1568 147 147 MET HG2 H 2.662 0.020 2 1569 147 147 MET HG3 H 2.435 0.020 2 1570 147 147 MET C C 177.839 0.3 1 1571 147 147 MET CA C 56.311 0.3 1 1572 147 147 MET CB C 31.891 0.3 1 1573 147 147 MET N N 115.468 0.3 1 1574 148 148 SER H H 7.836 0.020 1 1575 148 148 SER HA H 4.338 0.020 1 1576 148 148 SER HB2 H 4.003 0.020 1 1577 148 148 SER HB3 H 4.003 0.020 1 1578 148 148 SER C C 174.953 0.3 1 1579 148 148 SER CA C 60.137 0.3 1 1580 148 148 SER CB C 63.637 0.3 1 1581 148 148 SER N N 115.203 0.3 1 1582 149 149 ASN H H 8.040 0.020 1 1583 149 149 ASN HA H 4.683 0.020 1 1584 149 149 ASN HB2 H 2.867 0.020 2 1585 149 149 ASN HB3 H 2.795 0.020 2 1586 149 149 ASN C C 174.953 0.3 1 1587 149 149 ASN CA C 54.439 0.3 1 1588 149 149 ASN CB C 39.706 0.3 1 1589 149 149 ASN N N 119.635 0.3 1 1590 150 150 GLN H H 8.041 0.020 1 1591 150 150 GLN HA H 4.313 0.020 1 1592 150 150 GLN HB2 H 2.148 0.020 2 1593 150 150 GLN HB3 H 1.969 0.020 2 1594 150 150 GLN HG2 H 2.400 0.020 2 1595 150 150 GLN HG3 H 2.293 0.020 2 1596 150 150 GLN C C 175.365 0.3 1 1597 150 150 GLN CA C 55.823 0.3 1 1598 150 150 GLN CB C 29.287 0.3 1 1599 150 150 GLN CG C 34.007 0.3 1 1600 150 150 GLN N N 118.805 0.3 1 1601 151 151 ARG H H 8.221 0.020 1 1602 151 151 ARG HA H 4.362 0.020 1 1603 151 151 ARG HB2 H 1.886 0.020 2 1604 151 151 ARG HB3 H 1.802 0.020 2 1605 151 151 ARG HG2 H 1.622 0.020 1 1606 151 151 ARG HG3 H 1.622 0.020 1 1607 151 151 ARG HD2 H 3.188 0.020 1 1608 151 151 ARG HD3 H 3.188 0.020 1 1609 151 151 ARG C C 175.213 0.3 1 1610 151 151 ARG CA C 56.332 0.3 1 1611 151 151 ARG CB C 30.426 0.3 1 1612 151 151 ARG CG C 27.157 0.3 1 1613 151 151 ARG CD C 43.547 0.3 1 1614 151 151 ARG N N 122.082 0.3 1 1615 152 152 ILE H H 7.745 0.020 1 1616 152 152 ILE HA H 4.063 0.020 1 1617 152 152 ILE HB H 1.814 0.020 1 1618 152 152 ILE HG12 H 1.388 0.020 2 1619 152 152 ILE HG13 H 1.101 0.020 2 1620 152 152 ILE HG2 H 0.839 0.020 1 1621 152 152 ILE HD1 H 0.839 0.020 1 1622 152 152 ILE C C 180.930 0.3 1 1623 152 152 ILE CA C 62.904 0.3 1 1624 152 152 ILE CB C 39.706 0.3 1 1625 152 152 ILE N N 126.234 0.3 1 stop_ save_