data_15557 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignment for actin depolymerizing and dynamics regulatory protein from Leishmania donovani ; _BMRB_accession_number 15557 _BMRB_flat_file_name bmr15557.str _Entry_type original _Submission_date 2007-11-17 _Accession_date 2007-11-17 _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 Pathak 'Prem Prakash' . . 2 Pulavarti 'S.V.S.R. Krishna' . . 3 Jain Anupam . . 4 Sahasrabuddhe 'Amogh Anant' . . 5 Gupta 'Chhitar Mal' . . 6 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" 742 "13C chemical shifts" 571 "15N chemical shifts" 141 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-20 original author . stop_ _Original_release_date 2009-11-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of actin depolymerizing and dynamics regulatory protein from Leishmania donovani.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19844807 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pathak 'Prem Prakash' . . 2 Pulavarti 'S V S R Krishna' . . 3 Jain Anupam . . 4 Sahasrabuddhe 'Amogh Anant' . . 5 Gupta 'Chittar Mal' . . 6 Arora Ashish . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular 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 265 _Page_last 267 _Year 2009 _Details . loop_ _Keyword ADF NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ADF monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ADF monomer' $Actin_Depolymerzing_Factor stop_ _System_molecular_weight 16920 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'actin dynamic regulation' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Actin_Depolymerzing_Factor _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Actin_Depolymerzing_Factor _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 150 _Mol_residue_sequence ; MAISGVTLEESVRGAIDDLR MKKSRYVMMCIGADGKKIEV TEVGERSVNYTDLKEKFSTE KPCYVAFDFEYNDAGSKREK LILIQWIPDTARPREKMMYS ASRDALSSVSEGYLPIQAND ESGLDAEEIIRKVRLHRSVA AALEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ILE 4 SER 5 GLY 6 VAL 7 THR 8 LEU 9 GLU 10 GLU 11 SER 12 VAL 13 ARG 14 GLY 15 ALA 16 ILE 17 ASP 18 ASP 19 LEU 20 ARG 21 MET 22 LYS 23 LYS 24 SER 25 ARG 26 TYR 27 VAL 28 MET 29 MET 30 CYS 31 ILE 32 GLY 33 ALA 34 ASP 35 GLY 36 LYS 37 LYS 38 ILE 39 GLU 40 VAL 41 THR 42 GLU 43 VAL 44 GLY 45 GLU 46 ARG 47 SER 48 VAL 49 ASN 50 TYR 51 THR 52 ASP 53 LEU 54 LYS 55 GLU 56 LYS 57 PHE 58 SER 59 THR 60 GLU 61 LYS 62 PRO 63 CYS 64 TYR 65 VAL 66 ALA 67 PHE 68 ASP 69 PHE 70 GLU 71 TYR 72 ASN 73 ASP 74 ALA 75 GLY 76 SER 77 LYS 78 ARG 79 GLU 80 LYS 81 LEU 82 ILE 83 LEU 84 ILE 85 GLN 86 TRP 87 ILE 88 PRO 89 ASP 90 THR 91 ALA 92 ARG 93 PRO 94 ARG 95 GLU 96 LYS 97 MET 98 MET 99 TYR 100 SER 101 ALA 102 SER 103 ARG 104 ASP 105 ALA 106 LEU 107 SER 108 SER 109 VAL 110 SER 111 GLU 112 GLY 113 TYR 114 LEU 115 PRO 116 ILE 117 GLN 118 ALA 119 ASN 120 ASP 121 GLU 122 SER 123 GLY 124 LEU 125 ASP 126 ALA 127 GLU 128 GLU 129 ILE 130 ILE 131 ARG 132 LYS 133 VAL 134 ARG 135 LEU 136 HIS 137 ARG 138 SER 139 VAL 140 ALA 141 ALA 142 ALA 143 LEU 144 GLU 145 HIS 146 HIS 147 HIS 148 HIS 149 HIS 150 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 2KVK "Solution Structure Of AdfCOFILIN (LDCOF) FROM LEISHMANIA DONOVANI" 96.00 144 100.00 100.00 6.37e-100 EMBL CAM69611 "ADF/Cofilin [Leishmania infantum JPCM5]" 92.67 139 98.56 100.00 2.02e-95 EMBL CBZ12381 "ADF/Cofilin [Leishmania major strain Friedlin]" 92.67 139 98.56 98.56 6.29e-95 EMBL CBZ35776 "cofilin-like protein [Leishmania donovani]" 92.67 139 99.28 100.00 6.34e-96 GB AAY99389 "actin severing and dynamics regulatory protein [Leishmania donovani]" 94.67 142 100.00 100.00 1.53e-98 REF XP_001466572 "ADF/Cofilin [Leishmania infantum JPCM5]" 92.67 139 98.56 100.00 2.02e-95 REF XP_003722124 "ADF/Cofilin [Leishmania major strain Friedlin]" 92.67 139 98.56 98.56 6.29e-95 REF XP_003862469 "cofilin-like protein [Leishmania donovani]" 92.67 139 99.28 100.00 6.34e-96 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Actin_Depolymerzing_Factor 'Leishmania donovani' 5661 Eukaryota . Leishmania donovani 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 $Actin_Depolymerzing_Factor 'recombinant technology' . Escherichia coli . pET21D stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Actin_Depolymerzing_Factor 1.5 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' DTT 1 mM 'natural abundance' D2O 5 % 'natural abundance' 'AEBSF protease inhibitor' 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 'Cara_1.8.3_linux [4]' loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . 'Cornilescu, Delaglio and Bax' . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'chemical shift assignment' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityINOVA _Field_strength 600 _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 0.5 mM pH 6.5 0.1 pH pressure 1 . atm temperature 298 0.1 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 '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D H(CCO)NH' '3D C(CO)NH' '3D HNCO' '3D HCACO' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'ADF monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ALA HB H 1.328 0.02 1 2 2 2 ALA C C 180.845 0.3 1 3 2 2 ALA CA C 52.483 0.3 1 4 2 2 ALA CB C 19.371 0.3 1 5 3 3 ILE H H 8.24 0.02 1 6 3 3 ILE HA H 4.23 0.02 1 7 3 3 ILE HB H 1.86 0.02 1 8 3 3 ILE HD1 H 0.84 0.02 1 9 3 3 ILE HG12 H 1.44 0.02 2 10 3 3 ILE HG13 H 1.18 0.02 2 11 3 3 ILE HG2 H 0.90 0.02 1 12 3 3 ILE C C 176.2 0.3 1 13 3 3 ILE CA C 61.1 0.3 1 14 3 3 ILE CB C 38.9 0.3 1 15 3 3 ILE CD1 C 12.9 0.3 1 16 3 3 ILE CG1 C 27.2 0.3 1 17 3 3 ILE CG2 C 17.6 0.3 1 18 3 3 ILE N N 120.2 0.3 1 19 4 4 SER H H 8.52 0.02 1 20 4 4 SER HA H 4.43 0.02 1 21 4 4 SER HB2 H 3.84 0.02 1 22 4 4 SER HB3 H 3.84 0.02 1 23 4 4 SER C C 174.8 0.3 1 24 4 4 SER CA C 58.3 0.3 1 25 4 4 SER CB C 63.9 0.3 1 26 4 4 SER N N 120.0 0.3 1 27 5 5 GLY H H 8.34 0.02 1 28 5 5 GLY HA2 H 3.95 0.02 2 29 5 5 GLY HA3 H 3.98 0.02 2 30 5 5 GLY C C 173.6 0.3 1 31 5 5 GLY CA C 45.2 0.3 1 32 5 5 GLY N N 111.2 0.3 1 33 6 6 VAL H H 7.85 0.02 1 34 6 6 VAL HA H 4.25 0.02 1 35 6 6 VAL HB H 1.85 0.02 1 36 6 6 VAL HG1 H 0.81 0.02 1 37 6 6 VAL HG2 H 0.74 0.02 1 38 6 6 VAL C C 175.9 0.3 1 39 6 6 VAL CA C 62.0 0.3 1 40 6 6 VAL CB C 33.2 0.3 1 41 6 6 VAL CG1 C 21.5 0.3 1 42 6 6 VAL CG2 C 18.3 0.3 1 43 6 6 VAL N N 120.3 0.3 1 44 7 7 THR H H 7.98 0.02 1 45 7 7 THR HA H 4.65 0.02 1 46 7 7 THR HB H 4.27 0.02 1 47 7 7 THR HG2 H 1.18 0.02 1 48 7 7 THR C C 173.2 0.3 1 49 7 7 THR CA C 59.9 0.3 1 50 7 7 THR CB C 71.3 0.3 1 51 7 7 THR CG2 C 21.9 0.3 1 52 7 7 THR N N 116.2 0.3 1 53 8 8 LEU H H 8.53 0.02 1 54 8 8 LEU HA H 4.57 0.02 1 55 8 8 LEU HB2 H 1.72 0.02 1 56 8 8 LEU HB3 H 1.72 0.02 1 57 8 8 LEU HD1 H 0.83 0.02 1 58 8 8 LEU HD2 H 0.62 0.02 1 59 8 8 LEU HG H 1.37 0.02 1 60 8 8 LEU C C 178.1 0.3 1 61 8 8 LEU CA C 54.4 0.3 1 62 8 8 LEU CB C 42.5 0.3 1 63 8 8 LEU CD1 C 24.0 0.3 1 64 8 8 LEU CD2 C 24.0 0.3 1 65 8 8 LEU CG C 26.0 0.3 1 66 8 8 LEU N N 119.2 0.3 1 67 9 9 GLU H H 8.65 0.02 1 68 9 9 GLU HA H 4.37 0.02 1 69 9 9 GLU HB2 H 2.06 0.02 1 70 9 9 GLU HB3 H 2.06 0.02 1 71 9 9 GLU HG2 H 2.58 0.02 2 72 9 9 GLU HG3 H 2.42 0.02 2 73 9 9 GLU C C 178.2 0.3 1 74 9 9 GLU CA C 57.6 0.3 1 75 9 9 GLU CB C 30.4 0.3 1 76 9 9 GLU CG C 37.1 0.3 1 77 9 9 GLU N N 124.7 0.3 1 78 10 10 GLU H H 9.14 0.02 1 79 10 10 GLU HA H 4.02 0.02 1 80 10 10 GLU HB2 H 2.09 0.02 1 81 10 10 GLU HB3 H 2.09 0.02 1 82 10 10 GLU HG2 H 2.39 0.02 1 83 10 10 GLU HG3 H 2.39 0.02 1 84 10 10 GLU C C 177.5 0.3 1 85 10 10 GLU CA C 60.0 0.3 1 86 10 10 GLU CB C 29.6 0.3 1 87 10 10 GLU CG C 36.4 0.3 1 88 10 10 GLU N N 124.7 0.3 1 89 11 11 SER H H 8.39 0.02 1 90 11 11 SER HA H 4.34 0.02 1 91 11 11 SER HB2 H 3.97 0.02 1 92 11 11 SER HB3 H 3.97 0.02 1 93 11 11 SER C C 176.3 0.3 1 94 11 11 SER CA C 59.8 0.3 1 95 11 11 SER CB C 63.0 0.3 1 96 11 11 SER N N 112.3 0.3 1 97 12 12 VAL H H 7.73 0.02 1 98 12 12 VAL HA H 3.35 0.02 1 99 12 12 VAL HB H 2.17 0.02 1 100 12 12 VAL HG1 H 1.00 0.02 1 101 12 12 VAL HG2 H 0.81 0.02 1 102 12 12 VAL C C 176.9 0.3 1 103 12 12 VAL CA C 67.0 0.3 1 104 12 12 VAL CB C 31.4 0.3 1 105 12 12 VAL CG1 C 22.7 0.3 1 106 12 12 VAL CG2 C 22.7 0.3 1 107 12 12 VAL N N 122.9 0.3 1 108 13 13 ARG H H 8.26 0.02 1 109 13 13 ARG HA H 3.63 0.02 1 110 13 13 ARG HB2 H 1.82 0.02 1 111 13 13 ARG HB3 H 1.82 0.02 1 112 13 13 ARG HD2 H 3.20 0.02 2 113 13 13 ARG HD3 H 3.20 0.02 2 114 13 13 ARG HG2 H 1.58 0.02 1 115 13 13 ARG HG3 H 1.58 0.02 1 116 13 13 ARG C C 178.4 0.3 1 117 13 13 ARG CA C 60.4 0.3 1 118 13 13 ARG CB C 29.7 0.3 1 119 13 13 ARG CD C 43.3 0.3 1 120 13 13 ARG CG C 27.3 0.3 1 121 13 13 ARG N N 118.2 0.3 1 122 14 14 GLY H H 8.19 0.02 1 123 14 14 GLY HA2 H 3.83 0.02 2 124 14 14 GLY HA3 H 3.97 0.02 2 125 14 14 GLY C C 175.6 0.3 1 126 14 14 GLY CA C 47.0 0.3 1 127 14 14 GLY N N 105.5 0.3 1 128 15 15 ALA H H 7.75 0.02 1 129 15 15 ALA HA H 4.21 0.02 1 130 15 15 ALA HB H 1.51 0.02 1 131 15 15 ALA C C 180.9 0.3 1 132 15 15 ALA CA C 55.1 0.3 1 133 15 15 ALA CB C 18.2 0.3 1 134 15 15 ALA N N 124.0 0.3 1 135 16 16 ILE H H 8.28 0.02 1 136 16 16 ILE HA H 3.71 0.02 1 137 16 16 ILE HB H 2.03 0.02 1 138 16 16 ILE HD1 H 0.40 0.02 1 139 16 16 ILE HG12 H 1.29 0.02 1 140 16 16 ILE HG13 H 1.29 0.02 1 141 16 16 ILE HG2 H 0.86 0.02 1 142 16 16 ILE C C 179.0 0.3 1 143 16 16 ILE CA C 63.3 0.3 1 144 16 16 ILE CB C 36.4 0.3 1 145 16 16 ILE CD1 C 10.1 0.3 1 146 16 16 ILE CG1 C 28.4 0.3 1 147 16 16 ILE CG2 C 18.2 0.3 1 148 16 16 ILE N N 120.2 0.3 1 149 17 17 ASP H H 8.48 0.02 1 150 17 17 ASP HA H 4.59 0.02 1 151 17 17 ASP HB2 H 2.80 0.02 2 152 17 17 ASP HB3 H 2.68 0.02 2 153 17 17 ASP C C 178.4 0.3 1 154 17 17 ASP CA C 57.5 0.3 1 155 17 17 ASP CB C 40.4 0.3 1 156 17 17 ASP N N 124.4 0.3 1 157 18 18 ASP H H 8.36 0.02 1 158 18 18 ASP HA H 4.31 0.02 1 159 18 18 ASP HB2 H 2.91 0.02 2 160 18 18 ASP HB3 H 2.34 0.02 2 161 18 18 ASP C C 178.3 0.3 1 162 18 18 ASP CA C 57.5 0.3 1 163 18 18 ASP CB C 40.4 0.3 1 164 18 18 ASP N N 121.3 0.3 1 165 19 19 LEU H H 7.51 0.02 1 166 19 19 LEU HA H 4.15 0.02 1 167 19 19 LEU HB2 H 2.09 0.02 1 168 19 19 LEU HB3 H 2.09 0.02 1 169 19 19 LEU HD1 H 0.86 0.02 1 170 19 19 LEU HD2 H 0.86 0.02 1 171 19 19 LEU HG H 1.24 0.02 1 172 19 19 LEU C C 180.0 0.3 1 173 19 19 LEU CA C 58.4 0.3 1 174 19 19 LEU CB C 41.1 0.3 1 175 19 19 LEU CD1 C 24.7 0.3 1 176 19 19 LEU CD2 C 24.7 0.3 1 177 19 19 LEU CG C 29.2 0.3 1 178 19 19 LEU N N 122.9 0.3 1 179 20 20 ARG H H 7.89 0.02 1 180 20 20 ARG HA H 3.93 0.02 1 181 20 20 ARG HB2 H 2.08 0.02 2 182 20 20 ARG HB3 H 2.16 0.02 2 183 20 20 ARG HD2 H 3.33 0.02 1 184 20 20 ARG HD3 H 3.33 0.02 1 185 20 20 ARG HG2 H 1.89 0.02 2 186 20 20 ARG HG3 H 1.65 0.02 2 187 20 20 ARG C C 178.4 0.3 1 188 20 20 ARG CA C 59.7 0.3 1 189 20 20 ARG CB C 30.1 0.3 1 190 20 20 ARG CD C 43.7 0.3 1 191 20 20 ARG CG C 28.2 0.3 1 192 20 20 ARG N N 121.5 0.3 1 193 21 21 MET H H 7.56 0.02 1 194 21 21 MET HA H 4.46 0.02 1 195 21 21 MET HB2 H 2.60 0.02 2 196 21 21 MET HB3 H 2.30 0.02 2 197 21 21 MET HG2 H 2.77 0.02 1 198 21 21 MET HG3 H 2.77 0.02 1 199 21 21 MET C C 175.0 0.3 1 200 21 21 MET CA C 55.0 0.3 1 201 21 21 MET CB C 32.3 0.3 1 202 21 21 MET CG C 32.6 0.3 1 203 21 21 MET N N 114.5 0.3 1 204 22 22 LYS H H 8.34 0.02 1 205 22 22 LYS HA H 3.85 0.02 1 206 22 22 LYS HB2 H 2.15 0.02 1 207 22 22 LYS HB3 H 2.15 0.02 1 208 22 22 LYS HD2 H 1.64 0.02 2 209 22 22 LYS HD3 H 1.64 0.02 2 210 22 22 LYS HE2 H 3.03 0.02 1 211 22 22 LYS HE3 H 3.03 0.02 1 212 22 22 LYS HG2 H 1.33 0.02 1 213 22 22 LYS HG3 H 1.33 0.02 1 214 22 22 LYS C C 175.9 0.3 1 215 22 22 LYS CA C 57.9 0.3 1 216 22 22 LYS CB C 28.5 0.3 1 217 22 22 LYS CD C 30.8 0.3 1 218 22 22 LYS CG C 25.5 0.3 1 219 22 22 LYS N N 114.3 0.3 1 220 23 23 LYS H H 8.36 0.02 1 221 23 23 LYS HA H 4.17 0.02 1 222 23 23 LYS HB2 H 1.90 0.02 1 223 23 23 LYS HB3 H 1.90 0.02 1 224 23 23 LYS HD2 H 1.44 0.02 1 225 23 23 LYS HD3 H 1.44 0.02 1 226 23 23 LYS HE2 H 2.93 0.02 1 227 23 23 LYS HE3 H 2.93 0.02 1 228 23 23 LYS HG2 H 1.42 0.02 1 229 23 23 LYS HG3 H 1.42 0.02 1 230 23 23 LYS C C 175.6 0.3 1 231 23 23 LYS CA C 57.6 0.3 1 232 23 23 LYS CB C 33.0 0.3 1 233 23 23 LYS CD C 29.2 0.3 1 234 23 23 LYS CE C 42.3 0.3 1 235 23 23 LYS CG C 25.5 0.3 1 236 23 23 LYS N N 115.8 0.3 1 237 24 24 SER H H 7.26 0.02 1 238 24 24 SER HA H 4.41 0.02 1 239 24 24 SER HB2 H 3.87 0.02 2 240 24 24 SER HB3 H 3.51 0.02 2 241 24 24 SER C C 172.7 0.3 1 242 24 24 SER CA C 55.7 0.3 1 243 24 24 SER CB C 65.5 0.3 1 244 24 24 SER N N 110.9 0.3 1 245 25 25 ARG H H 8.59 0.02 1 246 25 25 ARG HA H 4.34 0.02 1 247 25 25 ARG HB2 H 1.19 0.02 2 248 25 25 ARG HB3 H 1.01 0.02 2 249 25 25 ARG HD2 H 3.22 0.02 1 250 25 25 ARG HD3 H 3.22 0.02 1 251 25 25 ARG HG2 H 2.06 0.02 1 252 25 25 ARG HG3 H 2.06 0.02 1 253 25 25 ARG C C 173.4 0.3 1 254 25 25 ARG CA C 54.4 0.3 1 255 25 25 ARG CB C 32.3 0.3 1 256 25 25 ARG CD C 41.1 0.3 1 257 25 25 ARG CG C 23.9 0.3 1 258 25 25 ARG N N 117.0 0.3 1 259 26 26 TYR H H 6.83 0.02 1 260 26 26 TYR HA H 5.54 0.02 1 261 26 26 TYR HB2 H 3.30 0.02 2 262 26 26 TYR HB3 H 2.97 0.02 2 263 26 26 TYR C C 172.8 0.3 1 264 26 26 TYR CA C 55.6 0.3 1 265 26 26 TYR CB C 42.0 0.3 1 266 26 26 TYR N N 108.2 0.3 1 267 27 27 VAL H H 9.37 0.02 1 268 27 27 VAL HA H 4.65 0.02 1 269 27 27 VAL HB H 2.00 0.02 1 270 27 27 VAL HG1 H 0.97 0.02 1 271 27 27 VAL HG2 H 0.97 0.02 1 272 27 27 VAL C C 174.6 0.3 1 273 27 27 VAL CA C 61.8 0.3 1 274 27 27 VAL CB C 36.3 0.3 1 275 27 27 VAL CG1 C 22.5 0.3 1 276 27 27 VAL CG2 C 22.5 0.3 1 277 27 27 VAL N N 119.9 0.3 1 278 28 28 MET H H 9.68 0.02 1 279 28 28 MET HA H 5.34 0.02 1 280 28 28 MET HB2 H 1.97 0.02 1 281 28 28 MET HB3 H 1.97 0.02 1 282 28 28 MET HG2 H 2.47 0.02 1 283 28 28 MET HG3 H 2.47 0.02 1 284 28 28 MET C C 174.9 0.3 1 285 28 28 MET CA C 55.3 0.3 1 286 28 28 MET CB C 35.7 0.3 1 287 28 28 MET CG C 31.5 0.3 1 288 28 28 MET N N 129.6 0.3 1 289 29 29 MET H H 9.83 0.02 1 290 29 29 MET HA H 5.63 0.02 1 291 29 29 MET HB2 H 2.09 0.02 1 292 29 29 MET HB3 H 2.09 0.02 1 293 29 29 MET HG2 H 2.29 0.02 1 294 29 29 MET HG3 H 2.29 0.02 1 295 29 29 MET C C 174.5 0.3 1 296 29 29 MET CA C 54.8 0.3 1 297 29 29 MET CB C 39.1 0.3 1 298 29 29 MET CG C 32.3 0.3 1 299 29 29 MET N N 126.8 0.3 1 300 30 30 CYS H H 8.65 0.02 1 301 30 30 CYS HA H 5.23 0.02 1 302 30 30 CYS HB2 H 2.79 0.02 2 303 30 30 CYS HB3 H 3.17 0.02 2 304 30 30 CYS C C 173.4 0.3 1 305 30 30 CYS CA C 56.7 0.3 1 306 30 30 CYS CB C 32.6 0.3 1 307 30 30 CYS N N 116.3 0.3 1 308 31 31 ILE H H 8.47 0.02 1 309 31 31 ILE HA H 4.51 0.02 1 310 31 31 ILE HB H 1.27 0.02 1 311 31 31 ILE HD1 H 0.06 0.02 1 312 31 31 ILE HG12 H 0.57 0.02 2 313 31 31 ILE HG13 H 1.12 0.02 2 314 31 31 ILE HG2 H 0.88 0.02 1 315 31 31 ILE C C 177.2 0.3 1 316 31 31 ILE CA C 61.7 0.3 1 317 31 31 ILE CB C 38.3 0.3 1 318 31 31 ILE CD1 C 12.6 0.3 1 319 31 31 ILE CG1 C 29.8 0.3 1 320 31 31 ILE CG2 C 17.2 0.3 1 321 31 31 ILE N N 122.3 0.3 1 322 32 32 GLY H H 8.93 0.02 1 323 32 32 GLY HA2 H 4.11 0.02 1 324 32 32 GLY HA3 H 4.11 0.02 1 325 32 32 GLY C C 175.3 0.3 1 326 32 32 GLY CA C 45.1 0.3 1 327 32 32 GLY N N 115.6 0.3 1 328 33 33 ALA H H 8.73 0.02 1 329 33 33 ALA HA H 4.07 0.02 1 330 33 33 ALA HB H 1.42 0.02 1 331 33 33 ALA C C 178.7 0.3 1 332 33 33 ALA CA C 55.1 0.3 1 333 33 33 ALA CB C 18.5 0.3 1 334 33 33 ALA N N 122.8 0.3 1 335 34 34 ASP H H 8.22 0.02 1 336 34 34 ASP HA H 4.45 0.02 1 337 34 34 ASP HB2 H 2.91 0.02 2 338 34 34 ASP HB3 H 2.63 0.02 2 339 34 34 ASP C C 177.4 0.3 1 340 34 34 ASP CA C 53.5 0.3 1 341 34 34 ASP CB C 40.2 0.3 1 342 34 34 ASP N N 114.6 0.3 1 343 35 35 GLY H H 8.23 0.02 1 344 35 35 GLY HA2 H 3.95 0.02 2 345 35 35 GLY HA3 H 3.57 0.02 2 346 35 35 GLY C C 174.1 0.3 1 347 35 35 GLY CA C 45.9 0.3 1 348 35 35 GLY N N 107.7 0.3 1 349 36 36 LYS H H 7.86 0.02 1 350 36 36 LYS HA H 4.34 0.02 1 351 36 36 LYS HB2 H 1.82 0.02 1 352 36 36 LYS HB3 H 1.82 0.02 1 353 36 36 LYS HD2 H 1.62 0.02 1 354 36 36 LYS HD3 H 1.62 0.02 1 355 36 36 LYS HE2 H 2.93 0.02 1 356 36 36 LYS HE3 H 2.93 0.02 1 357 36 36 LYS HG2 H 1.32 0.02 2 358 36 36 LYS HG3 H 1.20 0.02 2 359 36 36 LYS C C 176.9 0.3 1 360 36 36 LYS CA C 57.7 0.3 1 361 36 36 LYS CB C 34.2 0.3 1 362 36 36 LYS CD C 28.6 0.3 1 363 36 36 LYS CE C 42.2 0.3 1 364 36 36 LYS CG C 25.1 0.3 1 365 36 36 LYS N N 116.3 0.3 1 366 37 37 LYS H H 8.34 0.02 1 367 37 37 LYS HA H 5.43 0.02 1 368 37 37 LYS HB2 H 1.73 0.02 1 369 37 37 LYS HB3 H 1.73 0.02 1 370 37 37 LYS HD2 H 1.56 0.02 2 371 37 37 LYS HD3 H 1.48 0.02 2 372 37 37 LYS HE2 H 2.84 0.02 1 373 37 37 LYS HE3 H 2.84 0.02 1 374 37 37 LYS HG2 H 1.27 0.02 1 375 37 37 LYS HG3 H 1.27 0.02 1 376 37 37 LYS C C 175.8 0.3 1 377 37 37 LYS CA C 54.2 0.3 1 378 37 37 LYS CB C 36.8 0.3 1 379 37 37 LYS CD C 29.8 0.3 1 380 37 37 LYS CE C 42.2 0.3 1 381 37 37 LYS CG C 24.5 0.3 1 382 37 37 LYS N N 117.7 0.3 1 383 38 38 ILE H H 8.32 0.02 1 384 38 38 ILE HA H 4.33 0.02 1 385 38 38 ILE HB H 1.54 0.02 1 386 38 38 ILE HD1 H 0.60 0.02 1 387 38 38 ILE HG12 H 1.50 0.02 1 388 38 38 ILE HG13 H 1.50 0.02 1 389 38 38 ILE HG2 H 0.80 0.02 1 390 38 38 ILE C C 173.6 0.3 1 391 38 38 ILE CA C 61.3 0.3 1 392 38 38 ILE CB C 38.6 0.3 1 393 38 38 ILE CD1 C 13.2 0.3 1 394 38 38 ILE CG1 C 29.0 0.3 1 395 38 38 ILE CG2 C 18.6 0.3 1 396 38 38 ILE N N 121.3 0.3 1 397 39 39 GLU H H 8.86 0.02 1 398 39 39 GLU HA H 4.67 0.02 1 399 39 39 GLU HB2 H 1.85 0.02 1 400 39 39 GLU HB3 H 1.85 0.02 1 401 39 39 GLU HG2 H 2.06 0.02 1 402 39 39 GLU HG3 H 2.06 0.02 1 403 39 39 GLU C C 175.5 0.3 1 404 39 39 GLU CA C 53.5 0.3 1 405 39 39 GLU CB C 33.6 0.3 1 406 39 39 GLU CG C 35.5 0.3 1 407 39 39 GLU N N 124.8 0.3 1 408 40 40 VAL H H 8.76 0.02 1 409 40 40 VAL HA H 4.10 0.02 1 410 40 40 VAL HB H 1.98 0.02 1 411 40 40 VAL HG1 H 0.82 0.02 1 412 40 40 VAL HG2 H 0.82 0.02 1 413 40 40 VAL C C 177.1 0.3 1 414 40 40 VAL CA C 63.3 0.3 1 415 40 40 VAL CB C 32.3 0.3 1 416 40 40 VAL CG1 C 22.5 0.3 1 417 40 40 VAL CG2 C 22.5 0.3 1 418 40 40 VAL N N 121.0 0.3 1 419 41 41 THR H H 9.36 0.02 1 420 41 41 THR HA H 4.50 0.02 1 421 41 41 THR HB H 4.10 0.02 1 422 41 41 THR HG2 H 1.21 0.02 1 423 41 41 THR C C 175.3 0.3 1 424 41 41 THR CA C 63.1 0.3 1 425 41 41 THR CB C 69.1 0.3 1 426 41 41 THR CG2 C 22.7 0.3 1 427 41 41 THR N N 122.4 0.3 1 428 42 42 GLU H H 7.55 0.02 1 429 42 42 GLU HA H 4.50 0.02 1 430 42 42 GLU HB2 H 2.13 0.02 1 431 42 42 GLU HB3 H 2.13 0.02 1 432 42 42 GLU HG2 H 2.23 0.02 1 433 42 42 GLU HG3 H 2.23 0.02 1 434 42 42 GLU C C 173.1 0.3 1 435 42 42 GLU CA C 57.0 0.3 1 436 42 42 GLU CB C 33.9 0.3 1 437 42 42 GLU CG C 37.3 0.3 1 438 42 42 GLU N N 119.6 0.3 1 439 43 43 VAL H H 8.48 0.02 1 440 43 43 VAL HA H 4.51 0.02 1 441 43 43 VAL HB H 1.82 0.02 1 442 43 43 VAL HG1 H 0.74 0.02 1 443 43 43 VAL HG2 H 0.90 0.02 1 444 43 43 VAL C C 176.1 0.3 1 445 43 43 VAL CA C 61.2 0.3 1 446 43 43 VAL CB C 34.4 0.3 1 447 43 43 VAL CG1 C 21.4 0.3 1 448 43 43 VAL CG2 C 21.4 0.3 1 449 43 43 VAL N N 124.8 0.3 1 450 44 44 GLY H H 7.79 0.02 1 451 44 44 GLY HA2 H 4.02 0.02 2 452 44 44 GLY HA3 H 2.45 0.02 2 453 44 44 GLY C C 173.4 0.3 1 454 44 44 GLY CA C 44.4 0.3 1 455 44 44 GLY N N 114.5 0.3 1 456 45 45 GLU H H 8.83 0.02 1 457 45 45 GLU HA H 4.25 0.02 1 458 45 45 GLU HB2 H 1.99 0.02 1 459 45 45 GLU HB3 H 1.99 0.02 1 460 45 45 GLU HG2 H 2.38 0.02 1 461 45 45 GLU HG3 H 2.38 0.02 1 462 45 45 GLU C C 176.5 0.3 1 463 45 45 GLU CA C 56.7 0.3 1 464 45 45 GLU CB C 30.1 0.3 1 465 45 45 GLU CG C 36.4 0.3 1 466 45 45 GLU N N 126.0 0.3 1 467 46 46 ARG H H 8.60 0.02 1 468 46 46 ARG HA H 3.77 0.02 1 469 46 46 ARG HB2 H 1.98 0.02 1 470 46 46 ARG HB3 H 1.98 0.02 1 471 46 46 ARG HD2 H 2.62 0.02 1 472 46 46 ARG HD3 H 2.62 0.02 1 473 46 46 ARG HG2 H 1.63 0.02 1 474 46 46 ARG HG3 H 1.63 0.02 1 475 46 46 ARG C C 176.1 0.3 1 476 46 46 ARG CA C 57.6 0.3 1 477 46 46 ARG CB C 30.1 0.3 1 478 46 46 ARG CD C 42.1 0.3 1 479 46 46 ARG CG C 24.9 0.3 1 480 46 46 ARG N N 118.0 0.3 1 481 47 47 SER H H 7.91 0.02 1 482 47 47 SER HA H 4.25 0.02 1 483 47 47 SER HB2 H 4.02 0.02 2 484 47 47 SER HB3 H 3.83 0.02 2 485 47 47 SER C C 174.8 0.3 1 486 47 47 SER CA C 59.2 0.3 1 487 47 47 SER CB C 63.2 0.3 1 488 47 47 SER N N 109.8 0.3 1 489 48 48 VAL H H 7.63 0.02 1 490 48 48 VAL HA H 3.98 0.02 1 491 48 48 VAL HB H 2.23 0.02 1 492 48 48 VAL HG1 H 1.22 0.02 1 493 48 48 VAL HG2 H 1.22 0.02 1 494 48 48 VAL C C 175.0 0.3 1 495 48 48 VAL CA C 64.0 0.3 1 496 48 48 VAL CB C 32.2 0.3 1 497 48 48 VAL CG1 C 22.3 0.3 1 498 48 48 VAL CG2 C 22.3 0.3 1 499 48 48 VAL N N 123.3 0.3 1 500 49 49 ASN H H 8.80 0.02 1 501 49 49 ASN HA H 5.27 0.02 1 502 49 49 ASN HB2 H 2.91 0.02 2 503 49 49 ASN HB3 H 3.01 0.02 2 504 49 49 ASN HD21 H 7.72 0.02 1 505 49 49 ASN HD22 H 6.91 0.02 1 506 49 49 ASN C C 176.2 0.3 1 507 49 49 ASN CA C 51.5 0.3 1 508 49 49 ASN CB C 41.4 0.3 1 509 49 49 ASN N N 123.0 0.3 1 510 49 49 ASN ND2 N 114.1 0.3 1 511 50 50 TYR H H 9.21 0.02 1 512 50 50 TYR HA H 4.02 0.02 1 513 50 50 TYR HB2 H 3.19 0.02 2 514 50 50 TYR HB3 H 2.89 0.02 2 515 50 50 TYR C C 176.8 0.3 1 516 50 50 TYR CA C 63.0 0.3 1 517 50 50 TYR CB C 38.0 0.3 1 518 50 50 TYR N N 122.1 0.3 1 519 51 51 THR H H 8.23 0.02 1 520 51 51 THR HA H 4.23 0.02 1 521 51 51 THR HB H 3.63 0.02 1 522 51 51 THR HG2 H 1.29 0.02 1 523 51 51 THR C C 175.9 0.3 1 524 51 51 THR CA C 65.8 0.3 1 525 51 51 THR CB C 68.3 0.3 1 526 51 51 THR CG2 C 22.8 0.3 1 527 51 51 THR N N 111.2 0.3 1 528 52 52 ASP H H 7.55 0.02 1 529 52 52 ASP HA H 4.37 0.02 1 530 52 52 ASP HB2 H 2.99 0.02 2 531 52 52 ASP HB3 H 2.69 0.02 2 532 52 52 ASP C C 178.1 0.3 1 533 52 52 ASP CA C 56.7 0.3 1 534 52 52 ASP CB C 41.1 0.3 1 535 52 52 ASP N N 119.6 0.3 1 536 53 53 LEU H H 7.30 0.02 1 537 53 53 LEU HA H 3.71 0.02 1 538 53 53 LEU HB2 H 1.48 0.02 1 539 53 53 LEU HB3 H 1.48 0.02 1 540 53 53 LEU HD1 H 0.05 0.02 1 541 53 53 LEU HD2 H 0.22 0.02 1 542 53 53 LEU HG H 1.08 0.02 1 543 53 53 LEU C C 177.8 0.3 1 544 53 53 LEU CA C 55.9 0.3 1 545 53 53 LEU CB C 41.1 0.3 1 546 53 53 LEU CD1 C 22.9 0.3 1 547 53 53 LEU CD2 C 24.4 0.3 1 548 53 53 LEU CG C 26.7 0.3 1 549 53 53 LEU N N 120.5 0.3 1 550 54 54 LYS H H 7.85 0.02 1 551 54 54 LYS HA H 3.56 0.02 1 552 54 54 LYS HB2 H 1.49 0.02 2 553 54 54 LYS HB3 H 1.41 0.02 2 554 54 54 LYS HD2 H 1.21 0.02 1 555 54 54 LYS HD3 H 1.21 0.02 1 556 54 54 LYS HE2 H 2.83 0.02 1 557 54 54 LYS HE3 H 2.83 0.02 1 558 54 54 LYS HG2 H 1.54 0.02 1 559 54 54 LYS HG3 H 1.54 0.02 1 560 54 54 LYS C C 178.1 0.3 1 561 54 54 LYS CA C 59.5 0.3 1 562 54 54 LYS CB C 31.8 0.3 1 563 54 54 LYS CD C 29.2 0.3 1 564 54 54 LYS CE C 41.4 0.3 1 565 54 54 LYS CG C 24.4 0.3 1 566 54 54 LYS N N 118.4 0.3 1 567 55 55 GLU H H 7.18 0.02 1 568 55 55 GLU HA H 4.06 0.02 1 569 55 55 GLU HB2 H 1.89 0.02 1 570 55 55 GLU HB3 H 1.89 0.02 1 571 55 55 GLU HG2 H 2.30 0.02 1 572 55 55 GLU HG3 H 2.30 0.02 1 573 55 55 GLU C C 176.9 0.3 1 574 55 55 GLU CA C 57.3 0.3 1 575 55 55 GLU CB C 29.8 0.3 1 576 55 55 GLU CG C 36.1 0.3 1 577 55 55 GLU N N 113.7 0.3 1 578 56 56 LYS H H 7.98 0.02 1 579 56 56 LYS HA H 3.97 0.02 1 580 56 56 LYS HB2 H 1.52 0.02 2 581 56 56 LYS HB3 H 1.41 0.02 2 582 56 56 LYS HD2 H 1.39 0.02 1 583 56 56 LYS HD3 H 1.39 0.02 1 584 56 56 LYS HE2 H 2.94 0.02 1 585 56 56 LYS HE3 H 2.94 0.02 1 586 56 56 LYS C C 177.0 0.3 1 587 56 56 LYS CA C 56.5 0.3 1 588 56 56 LYS CB C 32.3 0.3 1 589 56 56 LYS CD C 28.9 0.3 1 590 56 56 LYS CE C 42.3 0.3 1 591 56 56 LYS CG C 25.2 0.3 1 592 56 56 LYS N N 116.8 0.3 1 593 57 57 PHE H H 6.66 0.02 1 594 57 57 PHE C C 175.4 0.3 1 595 57 57 PHE CA C 58.5 0.3 1 596 57 57 PHE CB C 38.3 0.3 1 597 57 57 PHE N N 117.4 0.3 1 598 58 58 SER HA H 4.34 0.02 1 599 58 58 SER HB2 H 3.97 0.02 1 600 58 58 SER HB3 H 3.97 0.02 1 601 58 58 SER C C 176.3 0.3 1 602 58 58 SER CA C 59.8 0.3 1 603 58 58 SER CB C 63.0 0.3 1 604 59 59 THR H H 8.94 0.02 1 605 59 59 THR HA H 4.47 0.02 1 606 59 59 THR HB H 4.06 0.02 1 607 59 59 THR HG2 H 1.42 0.02 1 608 59 59 THR C C 174.1 0.3 1 609 59 59 THR CA C 64.5 0.3 1 610 59 59 THR CB C 68.3 0.3 1 611 59 59 THR CG2 C 22.5 0.3 1 612 59 59 THR N N 118.8 0.3 1 613 60 60 GLU H H 8.15 0.02 1 614 60 60 GLU HA H 4.35 0.02 1 615 60 60 GLU HB2 H 1.82 0.02 1 616 60 60 GLU HB3 H 1.82 0.02 1 617 60 60 GLU HG2 H 2.16 0.02 1 618 60 60 GLU HG3 H 2.16 0.02 1 619 60 60 GLU C C 176.2 0.3 1 620 60 60 GLU CA C 56.0 0.3 1 621 60 60 GLU CB C 31.7 0.3 1 622 60 60 GLU CG C 36.5 0.3 1 623 60 60 GLU N N 116.8 0.3 1 624 61 61 LYS H H 7.20 0.02 1 625 61 61 LYS C C 171.9 0.3 1 626 61 61 LYS CA C 53.2 0.3 1 627 61 61 LYS CB C 35.5 0.3 1 628 61 61 LYS N N 119.5 0.3 1 629 62 62 PRO HA H 4.754 0.02 1 630 62 62 PRO HB2 H 1.928 0.02 1 631 62 62 PRO HB3 H -0.164 0.02 1 632 62 62 PRO HD2 H 3.274 0.02 1 633 62 62 PRO HD3 H 3.274 0.02 1 634 62 62 PRO HG2 H 1.315 0.02 1 635 62 62 PRO HG3 H 1.048 0.02 1 636 62 62 PRO C C 174.008 0.3 1 637 62 62 PRO CA C 61.922 0.3 1 638 62 62 PRO CB C 31.246 0.3 1 639 62 62 PRO CD C 45.100 0.3 1 640 62 62 PRO CG C 27.823 0.3 1 641 63 63 CYS H H 8.80 0.02 1 642 63 63 CYS HA H 4.75 0.02 1 643 63 63 CYS HB2 H 3.49 0.02 2 644 63 63 CYS HB3 H 3.05 0.02 2 645 63 63 CYS C C 171.2 0.3 1 646 63 63 CYS CA C 57.9 0.3 1 647 63 63 CYS CB C 30.1 0.3 1 648 63 63 CYS N N 110.4 0.3 1 649 64 64 TYR H H 8.83 0.02 1 650 64 64 TYR HA H 5.99 0.02 1 651 64 64 TYR HB2 H 2.92 0.02 1 652 64 64 TYR HB3 H 2.92 0.02 1 653 64 64 TYR C C 176.2 0.3 1 654 64 64 TYR CA C 55.1 0.3 1 655 64 64 TYR CB C 41.5 0.3 1 656 64 64 TYR N N 115.7 0.3 1 657 65 65 VAL H H 9.66 0.02 1 658 65 65 VAL HA H 5.31 0.02 1 659 65 65 VAL HB H 2.21 0.02 1 660 65 65 VAL HG1 H 1.01 0.02 1 661 65 65 VAL HG2 H 1.01 0.02 1 662 65 65 VAL C C 175.3 0.3 1 663 65 65 VAL CA C 60.9 0.3 1 664 65 65 VAL CB C 36.1 0.3 1 665 65 65 VAL CG1 C 23.6 0.3 1 666 65 65 VAL CG2 C 22.6 0.3 1 667 65 65 VAL N N 121.2 0.3 1 668 66 66 ALA H H 9.12 0.02 1 669 66 66 ALA HA H 5.47 0.02 1 670 66 66 ALA HB H 1.24 0.02 1 671 66 66 ALA C C 176.2 0.3 1 672 66 66 ALA CA C 50.7 0.3 1 673 66 66 ALA CB C 20.0 0.3 1 674 66 66 ALA N N 134.2 0.3 1 675 67 67 PHE H H 10.07 0.02 1 676 67 67 PHE HA H 5.25 0.02 1 677 67 67 PHE HB2 H 3.39 0.02 2 678 67 67 PHE HB3 H 2.81 0.02 2 679 67 67 PHE C C 172.8 0.3 1 680 67 67 PHE CA C 57.6 0.3 1 681 67 67 PHE CB C 45.8 0.3 1 682 67 67 PHE N N 126.6 0.3 1 683 68 68 ASP H H 7.79 0.02 1 684 68 68 ASP HA H 5.10 0.02 1 685 68 68 ASP HB2 H 2.81 0.02 2 686 68 68 ASP HB3 H 2.33 0.02 2 687 68 68 ASP C C 173.1 0.3 1 688 68 68 ASP CA C 53.3 0.3 1 689 68 68 ASP CB C 40.0 0.3 1 690 68 68 ASP N N 126.8 0.3 1 691 69 69 PHE H H 8.80 0.02 1 692 69 69 PHE HA H 4.66 0.02 1 693 69 69 PHE HB2 H 3.69 0.02 2 694 69 69 PHE HB3 H 2.91 0.02 2 695 69 69 PHE C C 173.4 0.3 1 696 69 69 PHE CA C 58.9 0.3 1 697 69 69 PHE CB C 42.2 0.3 1 698 69 69 PHE N N 128.8 0.3 1 699 70 70 GLU H H 8.10 0.02 1 700 70 70 GLU HA H 5.26 0.02 1 701 70 70 GLU HB2 H 1.91 0.02 2 702 70 70 GLU HB3 H 2.15 0.02 2 703 70 70 GLU HG2 H 2.05 0.02 1 704 70 70 GLU HG3 H 2.05 0.02 1 705 70 70 GLU C C 175.0 0.3 1 706 70 70 GLU CA C 54.7 0.3 1 707 70 70 GLU CB C 32.3 0.3 1 708 70 70 GLU CG C 37.2 0.3 1 709 70 70 GLU N N 128.4 0.3 1 710 71 71 TYR H H 8.82 0.02 1 711 71 71 TYR HA H 4.67 0.02 1 712 71 71 TYR HB2 H 2.79 0.02 1 713 71 71 TYR HB3 H 2.79 0.02 1 714 71 71 TYR C C 171.7 0.3 1 715 71 71 TYR CA C 55.7 0.3 1 716 71 71 TYR CB C 39.8 0.3 1 717 71 71 TYR N N 120.8 0.3 1 718 72 72 ASN H H 8.56 0.02 1 719 72 72 ASN HA H 4.91 0.02 1 720 72 72 ASN HB2 H 2.63 0.02 2 721 72 72 ASN HB3 H 2.53 0.02 2 722 72 72 ASN HD21 H 7.47 0.02 1 723 72 72 ASN HD22 H 6.72 0.02 1 724 72 72 ASN C C 174.2 0.3 1 725 72 72 ASN CA C 52.3 0.3 1 726 72 72 ASN CB C 40.5 0.3 1 727 72 72 ASN N N 118.5 0.3 1 728 72 72 ASN ND2 N 112.4 0.3 1 729 73 73 ASP H H 8.77 0.02 1 730 73 73 ASP HA H 4.83 0.02 1 731 73 73 ASP HB2 H 2.69 0.02 2 732 73 73 ASP HB3 H 2.41 0.02 2 733 73 73 ASP C C 175.2 0.3 1 734 73 73 ASP CA C 53.2 0.3 1 735 73 73 ASP CB C 43.0 0.3 1 736 73 73 ASP N N 124.4 0.3 1 737 74 74 ALA H H 8.99 0.02 1 738 74 74 ALA HA H 4.00 0.02 1 739 74 74 ALA HB H 1.36 0.02 1 740 74 74 ALA C C 177.2 0.3 1 741 74 74 ALA CA C 53.0 0.3 1 742 74 74 ALA CB C 17.1 0.3 1 743 74 74 ALA N N 128.4 0.3 1 744 75 75 GLY H H 8.30 0.02 1 745 75 75 GLY HA2 H 4.29 0.02 2 746 75 75 GLY HA3 H 3.62 0.02 2 747 75 75 GLY C C 174.6 0.3 1 748 75 75 GLY CA C 45.5 0.3 1 749 75 75 GLY N N 105.2 0.3 1 750 76 76 SER H H 7.67 0.02 1 751 76 76 SER HA H 4.69 0.02 1 752 76 76 SER HB2 H 3.71 0.02 1 753 76 76 SER HB3 H 3.71 0.02 1 754 76 76 SER C C 172.7 0.3 1 755 76 76 SER CA C 57.3 0.3 1 756 76 76 SER CB C 64.7 0.3 1 757 76 76 SER N N 116.3 0.3 1 758 77 77 LYS H H 8.52 0.02 1 759 77 77 LYS HA H 4.37 0.02 1 760 77 77 LYS HB2 H 1.62 0.02 1 761 77 77 LYS HB3 H 1.62 0.02 1 762 77 77 LYS HD2 H 1.54 0.02 1 763 77 77 LYS HD3 H 1.54 0.02 1 764 77 77 LYS HE2 H 2.85 0.02 1 765 77 77 LYS HE3 H 2.85 0.02 1 766 77 77 LYS HG2 H 1.34 0.02 2 767 77 77 LYS HG3 H 1.19 0.02 2 768 77 77 LYS C C 175.9 0.3 1 769 77 77 LYS CA C 57.0 0.3 1 770 77 77 LYS CB C 32.3 0.3 1 771 77 77 LYS CD C 28.9 0.3 1 772 77 77 LYS CE C 42.0 0.3 1 773 77 77 LYS CG C 24.6 0.3 1 774 77 77 LYS N N 125.8 0.3 1 775 78 78 ARG H H 8.74 0.02 1 776 78 78 ARG HA H 4.51 0.02 1 777 78 78 ARG HB2 H 1.33 0.02 2 778 78 78 ARG HB3 H 0.41 0.02 2 779 78 78 ARG HD2 H 3.16 0.02 2 780 78 78 ARG HD3 H 3.01 0.02 2 781 78 78 ARG HG2 H 1.33 0.02 1 782 78 78 ARG C C 174.0 0.3 1 783 78 78 ARG CA C 53.5 0.3 1 784 78 78 ARG CB C 33.1 0.3 1 785 78 78 ARG CG C 27.3 0.3 1 786 78 78 ARG N N 126.4 0.3 1 787 79 79 GLU H H 8.08 0.02 1 788 79 79 GLU HA H 5.54 0.02 1 789 79 79 GLU HB2 H 1.81 0.02 2 790 79 79 GLU HB3 H 2.09 0.02 2 791 79 79 GLU HG2 H 2.09 0.02 1 792 79 79 GLU HG3 H 2.09 0.02 1 793 79 79 GLU C C 175.9 0.3 1 794 79 79 GLU CA C 54.5 0.3 1 795 79 79 GLU CB C 33.0 0.3 1 796 79 79 GLU CG C 36.1 0.3 1 797 79 79 GLU N N 117.5 0.3 1 798 80 80 LYS H H 9.45 0.02 1 799 80 80 LYS HA H 4.71 0.02 1 800 80 80 LYS HB2 H 1.93 0.02 1 801 80 80 LYS HB3 H 1.93 0.02 1 802 80 80 LYS HD2 H 1.87 0.02 2 803 80 80 LYS HD3 H 2.04 0.02 2 804 80 80 LYS HE2 H 2.94 0.02 1 805 80 80 LYS HE3 H 2.94 0.02 1 806 80 80 LYS HG2 H 1.40 0.02 1 807 80 80 LYS HG3 H 1.40 0.02 1 808 80 80 LYS C C 174.7 0.3 1 809 80 80 LYS CA C 54.2 0.3 1 810 80 80 LYS CB C 36.9 0.3 1 811 80 80 LYS CD C 27.9 0.3 1 812 80 80 LYS CE C 43.3 0.3 1 813 80 80 LYS CG C 24.5 0.3 1 814 80 80 LYS N N 124.9 0.3 1 815 81 81 LEU H H 8.29 0.02 1 816 81 81 LEU HA H 4.83 0.02 1 817 81 81 LEU HB2 H 1.37 0.02 2 818 81 81 LEU HB3 H 0.35 0.02 2 819 81 81 LEU HD1 H 0.59 0.02 1 820 81 81 LEU HD2 H 0.40 0.02 1 821 81 81 LEU HG H 1.56 0.02 1 822 81 81 LEU C C 177.1 0.3 1 823 81 81 LEU CA C 55.1 0.3 1 824 81 81 LEU CB C 39.8 0.3 1 825 81 81 LEU CD1 C 21.4 0.3 1 826 81 81 LEU CD2 C 21.4 0.3 1 827 81 81 LEU CG C 25.3 0.3 1 828 81 81 LEU N N 127.5 0.3 1 829 82 82 ILE H H 9.49 0.02 1 830 82 82 ILE HA H 5.35 0.02 1 831 82 82 ILE HB H 1.81 0.02 1 832 82 82 ILE HD1 H 0.44 0.02 1 833 82 82 ILE HG12 H 0.74 0.02 2 834 82 82 ILE HG13 H 0.75 0.02 2 835 82 82 ILE HG2 H 0.24 0.02 1 836 82 82 ILE C C 173.5 0.3 1 837 82 82 ILE CA C 59.5 0.3 1 838 82 82 ILE CB C 42.0 0.3 1 839 82 82 ILE CD1 C 14.1 0.3 1 840 82 82 ILE CG1 C 26.5 0.3 1 841 82 82 ILE CG2 C 17.0 0.3 1 842 82 82 ILE N N 120.6 0.3 1 843 83 83 LEU H H 8.90 0.02 1 844 83 83 LEU HA H 5.26 0.02 1 845 83 83 LEU HB2 H 1.72 0.02 2 846 83 83 LEU HB3 H 1.05 0.02 2 847 83 83 LEU HD1 H 0.67 0.02 1 848 83 83 LEU HD2 H 0.60 0.02 1 849 83 83 LEU HG H 1.38 0.02 1 850 83 83 LEU C C 175.0 0.3 1 851 83 83 LEU CA C 53.3 0.3 1 852 83 83 LEU CB C 44.5 0.3 1 853 83 83 LEU CD1 C 25.3 0.3 1 854 83 83 LEU CD2 C 23.6 0.3 1 855 83 83 LEU CG C 28.7 0.3 1 856 83 83 LEU N N 127.1 0.3 1 857 84 84 ILE H H 9.77 0.02 1 858 84 84 ILE HA H 4.50 0.02 1 859 84 84 ILE HB H 2.08 0.02 1 860 84 84 ILE HD1 H 0.84 0.02 1 861 84 84 ILE HG12 H 1.74 0.02 1 862 84 84 ILE HG13 H 1.74 0.02 1 863 84 84 ILE HG2 H 0.73 0.02 1 864 84 84 ILE C C 175.6 0.3 1 865 84 84 ILE CA C 61.7 0.3 1 866 84 84 ILE CB C 39.7 0.3 1 867 84 84 ILE CD1 C 13.8 0.3 1 868 84 84 ILE CG1 C 28.5 0.3 1 869 84 84 ILE CG2 C 16.6 0.3 1 870 84 84 ILE N N 127.8 0.3 1 871 85 85 GLN H H 9.34 0.02 1 872 85 85 GLN HA H 4.77 0.02 1 873 85 85 GLN HB2 H 2.09 0.02 1 874 85 85 GLN HB3 H 2.09 0.02 1 875 85 85 GLN HE21 H 7.16 0.02 1 876 85 85 GLN HE22 H 6.88 0.02 1 877 85 85 GLN HG2 H 2.40 0.02 2 878 85 85 GLN HG3 H 2.09 0.02 2 879 85 85 GLN C C 173.1 0.3 1 880 85 85 GLN CA C 54.4 0.3 1 881 85 85 GLN CB C 28.5 0.3 1 882 85 85 GLN CG C 33.5 0.3 1 883 85 85 GLN N N 129.4 0.3 1 884 85 85 GLN NE2 N 109.6 0.3 1 885 86 86 TRP H H 8.63 0.02 1 886 86 86 TRP HA H 5.31 0.02 1 887 86 86 TRP HB2 H 2.61 0.02 2 888 86 86 TRP HB3 H 3.80 0.02 2 889 86 86 TRP C C 173.3 0.3 1 890 86 86 TRP CA C 54.9 0.3 1 891 86 86 TRP CB C 30.3 0.3 1 892 86 86 TRP N N 129.0 0.3 1 893 87 87 ILE H H 7.62 0.02 1 894 87 87 ILE C C 171.4 0.3 1 895 87 87 ILE CA C 57.6 0.3 1 896 87 87 ILE CB C 38.5 0.3 1 897 87 87 ILE N N 122.8 0.3 1 898 88 88 PRO HA H 3.527 0.02 1 899 88 88 PRO HB2 H 1.582 0.02 1 900 88 88 PRO HB3 H 1.582 0.02 1 901 88 88 PRO HD2 H 3.074 0.02 1 902 88 88 PRO HD3 H 3.074 0.02 1 903 88 88 PRO HG2 H 1.222 0.02 1 904 88 88 PRO HG3 H 1.222 0.02 1 905 88 88 PRO C C 178.029 0.3 1 906 88 88 PRO CA C 61.389 0.3 1 907 88 88 PRO CB C 30.941 0.3 1 908 88 88 PRO CG C 26.529 0.3 1 909 89 89 ASP H H 8.16 0.02 1 910 89 89 ASP HA H 4.19 0.02 1 911 89 89 ASP HB2 H 2.65 0.02 1 912 89 89 ASP HB3 H 2.65 0.02 1 913 89 89 ASP C C 176.9 0.3 1 914 89 89 ASP CA C 57.3 0.3 1 915 89 89 ASP CB C 41.1 0.3 1 916 89 89 ASP N N 120.6 0.3 1 917 90 90 THR H H 7.31 0.02 1 918 90 90 THR HA H 4.10 0.02 1 919 90 90 THR HB H 4.46 0.02 1 920 90 90 THR HG2 H 1.21 0.02 1 921 90 90 THR C C 175.0 0.3 1 922 90 90 THR CA C 61.4 0.3 1 923 90 90 THR CB C 69.0 0.3 1 924 90 90 THR CG2 C 22.5 0.3 1 925 90 90 THR N N 104.4 0.3 1 926 91 91 ALA H H 7.34 0.02 1 927 91 91 ALA HA H 4.27 0.02 1 928 91 91 ALA HB H 1.15 0.02 1 929 91 91 ALA C C 175.6 0.3 1 930 91 91 ALA CA C 52.0 0.3 1 931 91 91 ALA CB C 18.8 0.3 1 932 91 91 ALA N N 124.1 0.3 1 933 92 92 ARG H H 8.83 0.02 1 934 92 92 ARG C C 176.3 0.3 1 935 92 92 ARG CA C 55.3 0.3 1 936 92 92 ARG CB C 29.2 0.3 1 937 92 92 ARG N N 120.2 0.3 1 938 93 93 PRO HA H 4.048 0.02 1 939 93 93 PRO HB2 H 2.414 0.02 1 940 93 93 PRO HB3 H 2.414 0.02 1 941 93 93 PRO HG2 H 2.052 0.02 1 942 93 93 PRO HG3 H 2.052 0.02 1 943 93 93 PRO C C 178.555 0.3 1 944 93 93 PRO CA C 66.642 0.3 1 945 93 93 PRO CB C 31.931 0.3 1 946 93 93 PRO CG C 29.421 0.3 1 947 94 94 ARG H H 8.82 0.02 1 948 94 94 ARG HA H 4.07 0.02 1 949 94 94 ARG HB2 H 1.93 0.02 1 950 94 94 ARG HB3 H 1.93 0.02 1 951 94 94 ARG HD2 H 3.22 0.02 1 952 94 94 ARG HD3 H 3.22 0.02 1 953 94 94 ARG HG2 H 1.71 0.02 1 954 94 94 ARG HG3 H 1.71 0.02 1 955 94 94 ARG C C 178.7 0.3 1 956 94 94 ARG CA C 59.6 0.3 1 957 94 94 ARG CB C 29.9 0.3 1 958 94 94 ARG CD C 43.3 0.3 1 959 94 94 ARG CG C 27.3 0.3 1 960 94 94 ARG N N 116.9 0.3 1 961 95 95 GLU H H 7.37 0.02 1 962 95 95 GLU HA H 4.27 0.02 1 963 95 95 GLU HB2 H 2.01 0.02 2 964 95 95 GLU HB3 H 2.24 0.02 2 965 95 95 GLU HG2 H 2.42 0.02 1 966 95 95 GLU HG3 H 2.42 0.02 1 967 95 95 GLU C C 179.0 0.3 1 968 95 95 GLU CA C 59.8 0.3 1 969 95 95 GLU CB C 29.9 0.3 1 970 95 95 GLU CG C 37.9 0.3 1 971 95 95 GLU N N 118.5 0.3 1 972 96 96 LYS H H 8.31 0.02 1 973 96 96 LYS HA H 3.62 0.02 1 974 96 96 LYS HB2 H 1.73 0.02 1 975 96 96 LYS HB3 H 1.73 0.02 1 976 96 96 LYS HD2 H 1.28 0.02 1 977 96 96 LYS HD3 H 1.28 0.02 1 978 96 96 LYS HE2 H 3.29 0.02 1 979 96 96 LYS HE3 H 3.29 0.02 1 980 96 96 LYS HG2 H 1.00 0.02 1 981 96 96 LYS HG3 H 1.00 0.02 1 982 96 96 LYS C C 179.0 0.3 1 983 96 96 LYS CA C 61.4 0.3 1 984 96 96 LYS CB C 32.0 0.3 1 985 96 96 LYS CD C 29.6 0.3 1 986 96 96 LYS CE C 41.6 0.3 1 987 96 96 LYS CG C 26.0 0.3 1 988 96 96 LYS N N 119.5 0.3 1 989 97 97 MET H H 8.17 0.02 1 990 97 97 MET HA H 4.15 0.02 1 991 97 97 MET HB2 H 2.14 0.02 1 992 97 97 MET HB3 H 2.14 0.02 1 993 97 97 MET HG2 H 2.68 0.02 2 994 97 97 MET HG3 H 2.56 0.02 2 995 97 97 MET C C 178.7 0.3 1 996 97 97 MET CA C 58.8 0.3 1 997 97 97 MET CB C 32.6 0.3 1 998 97 97 MET CG C 32.0 0.3 1 999 97 97 MET N N 117.7 0.3 1 1000 98 98 MET H H 8.02 0.02 1 1001 98 98 MET HA H 4.18 0.02 1 1002 98 98 MET HB2 H 2.20 0.02 2 1003 98 98 MET HB3 H 2.05 0.02 2 1004 98 98 MET HG2 H 2.60 0.02 2 1005 98 98 MET HG3 H 2.44 0.02 2 1006 98 98 MET C C 179.3 0.3 1 1007 98 98 MET CA C 58.8 0.3 1 1008 98 98 MET CB C 33.2 0.3 1 1009 98 98 MET CG C 31.1 0.3 1 1010 98 98 MET N N 119.2 0.3 1 1011 99 99 TYR H H 8.56 0.02 1 1012 99 99 TYR HA H 4.15 0.02 1 1013 99 99 TYR HB2 H 2.86 0.02 2 1014 99 99 TYR HB3 H 2.56 0.02 2 1015 99 99 TYR C C 180.0 0.3 1 1016 99 99 TYR CA C 62.0 0.3 1 1017 99 99 TYR CB C 38.2 0.3 1 1018 99 99 TYR N N 118.1 0.3 1 1019 100 100 SER H H 8.40 0.02 1 1020 100 100 SER HA H 4.23 0.02 1 1021 100 100 SER HB2 H 3.94 0.02 1 1022 100 100 SER HB3 H 3.94 0.02 1 1023 100 100 SER C C 176.9 0.3 1 1024 100 100 SER CA C 61.5 0.3 1 1025 100 100 SER CB C 62.5 0.3 1 1026 100 100 SER N N 117.6 0.3 1 1027 101 101 ALA H H 8.25 0.02 1 1028 101 101 ALA HA H 4.29 0.02 1 1029 101 101 ALA HB H 1.50 0.02 1 1030 101 101 ALA C C 179.6 0.3 1 1031 101 101 ALA CA C 54.4 0.3 1 1032 101 101 ALA CB C 19.0 0.3 1 1033 101 101 ALA N N 122.4 0.3 1 1034 102 102 SER H H 7.37 0.02 1 1035 102 102 SER HA H 4.55 0.02 1 1036 102 102 SER HB2 H 3.94 0.02 2 1037 102 102 SER HB3 H 3.84 0.02 2 1038 102 102 SER C C 173.8 0.3 1 1039 102 102 SER CA C 59.3 0.3 1 1040 102 102 SER CB C 63.6 0.3 1 1041 102 102 SER N N 110.6 0.3 1 1042 103 103 ARG H H 7.06 0.02 1 1043 103 103 ARG HA H 3.75 0.02 1 1044 103 103 ARG HB2 H 1.90 0.02 1 1045 103 103 ARG HB3 H 1.90 0.02 1 1046 103 103 ARG HD2 H 3.21 0.02 1 1047 103 103 ARG HD3 H 3.21 0.02 1 1048 103 103 ARG HG2 H 1.72 0.02 2 1049 103 103 ARG HG3 H 1.87 0.02 2 1050 103 103 ARG C C 178.0 0.3 1 1051 103 103 ARG CA C 59.3 0.3 1 1052 103 103 ARG CB C 30.2 0.3 1 1053 103 103 ARG CD C 43.6 0.3 1 1054 103 103 ARG CG C 27.0 0.3 1 1055 103 103 ARG N N 119.8 0.3 1 1056 104 104 ASP H H 8.32 0.02 1 1057 104 104 ASP HA H 4.47 0.02 1 1058 104 104 ASP HB2 H 2.70 0.02 2 1059 104 104 ASP HB3 H 2.64 0.02 2 1060 104 104 ASP C C 178.2 0.3 1 1061 104 104 ASP CA C 56.4 0.3 1 1062 104 104 ASP CB C 40.1 0.3 1 1063 104 104 ASP N N 118.2 0.3 1 1064 105 105 ALA H H 7.93 0.02 1 1065 105 105 ALA HA H 4.11 0.02 1 1066 105 105 ALA HB H 1.30 0.02 1 1067 105 105 ALA C C 179.2 0.3 1 1068 105 105 ALA CA C 54.6 0.3 1 1069 105 105 ALA CB C 18.1 0.3 1 1070 105 105 ALA N N 123.7 0.3 1 1071 106 106 LEU H H 7.29 0.02 1 1072 106 106 LEU HA H 4.06 0.02 1 1073 106 106 LEU HB2 H 1.45 0.02 2 1074 106 106 LEU HB3 H 1.21 0.02 2 1075 106 106 LEU HD1 H 0.45 0.02 1 1076 106 106 LEU HD2 H 0.25 0.02 1 1077 106 106 LEU HG H 1.08 0.02 1 1078 106 106 LEU C C 179.3 0.3 1 1079 106 106 LEU CA C 54.9 0.3 1 1080 106 106 LEU CB C 42.3 0.3 1 1081 106 106 LEU CD1 C 24.5 0.3 1 1082 106 106 LEU CD2 C 24.5 0.3 1 1083 106 106 LEU CG C 27.3 0.3 1 1084 106 106 LEU N N 114.3 0.3 1 1085 107 107 SER H H 7.95 0.02 1 1086 107 107 SER HA H 3.97 0.02 1 1087 107 107 SER HB2 H 3.97 0.02 1 1088 107 107 SER HB3 H 3.97 0.02 1 1089 107 107 SER C C 170.3 0.3 1 1090 107 107 SER CA C 62.3 0.3 1 1091 107 107 SER CB C 62.3 0.3 1 1092 107 107 SER N N 118.5 0.3 1 1093 108 108 SER H H 7.97 0.02 1 1094 108 108 SER HA H 4.30 0.02 1 1095 108 108 SER HB2 H 3.92 0.02 1 1096 108 108 SER HB3 H 3.92 0.02 1 1097 108 108 SER C C 175.9 0.3 1 1098 108 108 SER CA C 60.9 0.3 1 1099 108 108 SER CB C 63.0 0.3 1 1100 108 108 SER N N 114.6 0.3 1 1101 109 109 VAL H H 7.30 0.02 1 1102 109 109 VAL HA H 4.66 0.02 1 1103 109 109 VAL HB H 2.34 0.02 1 1104 109 109 VAL HG1 H 0.80 0.02 1 1105 109 109 VAL HG2 H 0.70 0.02 1 1106 109 109 VAL C C 175.6 0.3 1 1107 109 109 VAL CA C 61.0 0.3 1 1108 109 109 VAL CB C 32.6 0.3 1 1109 109 109 VAL CG1 C 21.6 0.3 1 1110 109 109 VAL CG2 C 19.8 0.3 1 1111 109 109 VAL N N 111.8 0.3 1 1112 110 110 SER H H 7.34 0.02 1 1113 110 110 SER HA H 4.32 0.02 1 1114 110 110 SER HB2 H 3.73 0.02 2 1115 110 110 SER HB3 H 3.20 0.02 2 1116 110 110 SER C C 174.0 0.3 1 1117 110 110 SER CA C 57.6 0.3 1 1118 110 110 SER CB C 63.5 0.3 1 1119 110 110 SER N N 113.9 0.3 1 1120 111 111 GLU H H 8.21 0.02 1 1121 111 111 GLU HA H 4.21 0.02 1 1122 111 111 GLU HB2 H 1.95 0.02 2 1123 111 111 GLU HB3 H 1.96 0.02 2 1124 111 111 GLU HG2 H 2.30 0.02 1 1125 111 111 GLU HG3 H 2.30 0.02 1 1126 111 111 GLU C C 178.1 0.3 1 1127 111 111 GLU CA C 58.9 0.3 1 1128 111 111 GLU CB C 29.1 0.3 1 1129 111 111 GLU CG C 36.0 0.3 1 1130 111 111 GLU N N 124.9 0.3 1 1131 112 112 GLY H H 9.08 0.02 1 1132 112 112 GLY HA2 H 4.30 0.02 2 1133 112 112 GLY HA3 H 3.64 0.02 2 1134 112 112 GLY C C 174.1 0.3 1 1135 112 112 GLY CA C 45.3 0.3 1 1136 112 112 GLY N N 114.0 0.3 1 1137 113 113 TYR H H 8.23 0.02 1 1138 113 113 TYR HA H 4.27 0.02 1 1139 113 113 TYR HB2 H 3.33 0.02 2 1140 113 113 TYR HB3 H 2.19 0.02 2 1141 113 113 TYR C C 175.7 0.3 1 1142 113 113 TYR CA C 57.0 0.3 1 1143 113 113 TYR CB C 39.2 0.3 1 1144 113 113 TYR N N 118.8 0.3 1 1145 114 114 LEU H H 8.51 0.02 1 1146 114 114 LEU C C 175.8 0.3 1 1147 114 114 LEU CA C 52.5 0.3 1 1148 114 114 LEU CB C 44.2 0.3 1 1149 114 114 LEU N N 127.2 0.3 1 1150 115 115 PRO HA H 5.114 0.02 1 1151 115 115 PRO HB2 H 2.181 0.02 1 1152 115 115 PRO HB3 H 2.181 0.02 1 1153 115 115 PRO HD2 H 3.687 0.02 1 1154 115 115 PRO HD3 H 3.687 0.02 1 1155 115 115 PRO HG2 H 1.915 0.02 1 1156 115 115 PRO HG3 H 1.915 0.02 1 1157 115 115 PRO CA C 62.455 0.3 1 1158 115 115 PRO CB C 31.931 0.3 1 1159 115 115 PRO CD C 50.580 0.3 1 1160 115 115 PRO CG C 27.899 0.3 1 1161 116 116 ILE H H 8.83 0.02 1 1162 116 116 ILE HA H 4.22 0.02 1 1163 116 116 ILE HB H 1.61 0.02 1 1164 116 116 ILE HD1 H 0.68 0.02 1 1165 116 116 ILE HG12 H 1.18 0.02 1 1166 116 116 ILE HG13 H 1.18 0.02 1 1167 116 116 ILE HG2 H 0.62 0.02 1 1168 116 116 ILE C C 174.3 0.3 1 1169 116 116 ILE CA C 59.2 0.3 1 1170 116 116 ILE CB C 41.1 0.3 1 1171 116 116 ILE CD1 C 12.6 0.3 1 1172 116 116 ILE CG1 C 26.7 0.3 1 1173 116 116 ILE CG2 C 16.9 0.3 1 1174 116 116 ILE N N 125.0 0.3 1 1175 117 117 GLN H H 8.76 0.02 1 1176 117 117 GLN HA H 4.93 0.02 1 1177 117 117 GLN HB2 H 2.09 0.02 1 1178 117 117 GLN HB3 H 2.09 0.02 1 1179 117 117 GLN HE21 H 7.55 0.02 1 1180 117 117 GLN HE22 H 6.80 0.02 1 1181 117 117 GLN HG2 H 2.37 0.02 1 1182 117 117 GLN HG3 H 2.37 0.02 1 1183 117 117 GLN C C 175.0 0.3 1 1184 117 117 GLN CA C 55.7 0.3 1 1185 117 117 GLN CB C 30.0 0.3 1 1186 117 117 GLN CG C 34.5 0.3 1 1187 117 117 GLN N N 127.0 0.3 1 1188 117 117 GLN NE2 N 111.3 0.3 1 1189 118 118 ALA H H 8.42 0.02 1 1190 118 118 ALA HA H 4.73 0.02 1 1191 118 118 ALA HB H 1.29 0.02 1 1192 118 118 ALA C C 174.2 0.3 1 1193 118 118 ALA CA C 51.9 0.3 1 1194 118 118 ALA CB C 21.7 0.3 1 1195 118 118 ALA N N 126.4 0.3 1 1196 119 119 ASN H H 9.03 0.02 1 1197 119 119 ASN HA H 4.61 0.02 1 1198 119 119 ASN HB2 H 2.69 0.02 1 1199 119 119 ASN HB3 H 2.69 0.02 1 1200 119 119 ASN HD21 H 7.81 0.02 1 1201 119 119 ASN HD22 H 6.86 0.02 1 1202 119 119 ASN C C 175.9 0.3 1 1203 119 119 ASN CA C 52.2 0.3 1 1204 119 119 ASN CB C 41.1 0.3 1 1205 119 119 ASN N N 118.2 0.3 1 1206 119 119 ASN ND2 N 113.2 0.3 1 1207 120 120 ASP H H 8.01 0.02 1 1208 120 120 ASP HA H 4.59 0.02 1 1209 120 120 ASP HB2 H 3.04 0.02 2 1210 120 120 ASP HB3 H 2.95 0.02 2 1211 120 120 ASP C C 175.6 0.3 1 1212 120 120 ASP CA C 52.9 0.3 1 1213 120 120 ASP CB C 42.4 0.3 1 1214 120 120 ASP N N 117.9 0.3 1 1215 121 121 GLU H H 9.36 0.02 1 1216 121 121 GLU HA H 3.83 0.02 1 1217 121 121 GLU HB2 H 2.06 0.02 1 1218 121 121 GLU HB3 H 2.06 0.02 1 1219 121 121 GLU HG2 H 2.30 0.02 1 1220 121 121 GLU HG3 H 2.30 0.02 1 1221 121 121 GLU C C 179.0 0.3 1 1222 121 121 GLU CA C 60.4 0.3 1 1223 121 121 GLU CB C 29.4 0.3 1 1224 121 121 GLU CG C 36.6 0.3 1 1225 121 121 GLU N N 119.3 0.3 1 1226 122 122 SER H H 8.49 0.02 1 1227 122 122 SER HA H 4.23 0.02 1 1228 122 122 SER HB2 H 3.95 0.02 1 1229 122 122 SER HB3 H 3.95 0.02 1 1230 122 122 SER C C 176.9 0.3 1 1231 122 122 SER CA C 62.0 0.3 1 1232 122 122 SER CB C 62.0 0.3 1 1233 122 122 SER N N 118.1 0.3 1 1234 123 123 GLY H H 7.82 0.02 1 1235 123 123 GLY HA2 H 4.11 0.02 2 1236 123 123 GLY HA3 H 3.90 0.02 2 1237 123 123 GLY C C 173.1 0.3 1 1238 123 123 GLY CA C 45.9 0.3 1 1239 123 123 GLY N N 109.1 0.3 1 1240 124 124 LEU H H 7.07 0.02 1 1241 124 124 LEU HA H 4.15 0.02 1 1242 124 124 LEU HB2 H 1.50 0.02 2 1243 124 124 LEU HB3 H 1.15 0.02 2 1244 124 124 LEU HD1 H -0.67 0.02 1 1245 124 124 LEU HD2 H -0.67 0.02 1 1246 124 124 LEU HG H -0.24 0.02 1 1247 124 124 LEU C C 177.8 0.3 1 1248 124 124 LEU CA C 52.6 0.3 1 1249 124 124 LEU CB C 43.2 0.3 1 1250 124 124 LEU CD1 C 25.2 0.3 1 1251 124 124 LEU CD2 C 25.2 0.3 1 1252 124 124 LEU CG C 20.3 0.3 1 1253 124 124 LEU N N 113.8 0.3 1 1254 125 125 ASP H H 6.99 0.02 1 1255 125 125 ASP HA H 4.29 0.02 1 1256 125 125 ASP HB2 H 2.79 0.02 2 1257 125 125 ASP HB3 H 2.72 0.02 2 1258 125 125 ASP C C 177.4 0.3 1 1259 125 125 ASP CA C 55.4 0.3 1 1260 125 125 ASP CB C 42.8 0.3 1 1261 125 125 ASP N N 120.5 0.3 1 1262 126 126 ALA H H 9.29 0.02 1 1263 126 126 ALA HA H 3.79 0.02 1 1264 126 126 ALA HB H 1.63 0.02 1 1265 126 126 ALA C C 178.8 0.3 1 1266 126 126 ALA CA C 55.9 0.3 1 1267 126 126 ALA CB C 18.7 0.3 1 1268 126 126 ALA N N 129.5 0.3 1 1269 127 127 GLU H H 8.56 0.02 1 1270 127 127 GLU HA H 4.01 0.02 1 1271 127 127 GLU HB2 H 2.06 0.02 1 1272 127 127 GLU HB3 H 2.06 0.02 1 1273 127 127 GLU HG2 H 2.39 0.02 1 1274 127 127 GLU HG3 H 2.39 0.02 1 1275 127 127 GLU C C 179.6 0.3 1 1276 127 127 GLU CA C 59.3 0.3 1 1277 127 127 GLU CB C 29.1 0.3 1 1278 127 127 GLU CG C 36.7 0.3 1 1279 127 127 GLU N N 113.3 0.3 1 1280 128 128 GLU H H 7.41 0.02 1 1281 128 128 GLU HA H 4.35 0.02 1 1282 128 128 GLU HB2 H 2.19 0.02 1 1283 128 128 GLU HB3 H 2.19 0.02 1 1284 128 128 GLU HG2 H 2.47 0.02 2 1285 128 128 GLU HG3 H 2.22 0.02 2 1286 128 128 GLU C C 178.1 0.3 1 1287 128 128 GLU CA C 57.6 0.3 1 1288 128 128 GLU CB C 29.1 0.3 1 1289 128 128 GLU CG C 35.2 0.3 1 1290 128 128 GLU N N 121.3 0.3 1 1291 129 129 ILE H H 7.65 0.02 1 1292 129 129 ILE HA H 3.22 0.02 1 1293 129 129 ILE HB H 1.35 0.02 1 1294 129 129 ILE HD1 H 0.24 0.02 1 1295 129 129 ILE HG12 H 1.13 0.02 2 1296 129 129 ILE HG13 H 0.71 0.02 2 1297 129 129 ILE HG2 H -0.46 0.02 1 1298 129 129 ILE C C 178.1 0.3 1 1299 129 129 ILE CA C 65.1 0.3 1 1300 129 129 ILE CB C 36.1 0.3 1 1301 129 129 ILE CD1 C 10.8 0.3 1 1302 129 129 ILE CG1 C 27.4 0.3 1 1303 129 129 ILE CG2 C 16.3 0.3 1 1304 129 129 ILE N N 120.7 0.3 1 1305 130 130 ILE H H 8.31 0.02 1 1306 130 130 ILE HA H 2.92 0.02 1 1307 130 130 ILE HB H 1.66 0.02 1 1308 130 130 ILE HD1 H 0.44 0.02 1 1309 130 130 ILE HG12 H 0.94 0.02 1 1310 130 130 ILE HG13 H 0.94 0.02 1 1311 130 130 ILE HG2 H 0.73 0.02 1 1312 130 130 ILE C C 177.1 0.3 1 1313 130 130 ILE CA C 66.3 0.3 1 1314 130 130 ILE CB C 38.2 0.3 1 1315 130 130 ILE CD1 C 14.0 0.3 1 1316 130 130 ILE CG1 C 23.3 0.3 1 1317 130 130 ILE CG2 C 17.1 0.3 1 1318 130 130 ILE N N 118.7 0.3 1 1319 131 131 ARG H H 7.62 0.02 1 1320 131 131 ARG HA H 3.82 0.02 1 1321 131 131 ARG HB2 H 1.72 0.02 2 1322 131 131 ARG HB3 H 1.95 0.02 2 1323 131 131 ARG HD2 H 3.17 0.02 1 1324 131 131 ARG HD3 H 3.17 0.02 1 1325 131 131 ARG HG2 H 1.44 0.02 1 1326 131 131 ARG HG3 H 1.44 0.02 1 1327 131 131 ARG C C 179.4 0.3 1 1328 131 131 ARG CA C 60.4 0.3 1 1329 131 131 ARG CB C 30.4 0.3 1 1330 131 131 ARG CD C 45.6 0.3 1 1331 131 131 ARG CG C 28.3 0.3 1 1332 131 131 ARG N N 119.2 0.3 1 1333 132 132 LYS H H 7.80 0.02 1 1334 132 132 LYS HA H 3.97 0.02 1 1335 132 132 LYS HB2 H 1.93 0.02 2 1336 132 132 LYS HB3 H 1.72 0.02 2 1337 132 132 LYS HD2 H 1.72 0.02 1 1338 132 132 LYS HD3 H 1.72 0.02 1 1339 132 132 LYS HE2 H 3.03 0.02 1 1340 132 132 LYS HE3 H 3.03 0.02 1 1341 132 132 LYS HG2 H 1.38 0.02 1 1342 132 132 LYS HG3 H 1.38 0.02 1 1343 132 132 LYS C C 179.6 0.3 1 1344 132 132 LYS CA C 60.0 0.3 1 1345 132 132 LYS CB C 32.9 0.3 1 1346 132 132 LYS CD C 29.9 0.3 1 1347 132 132 LYS CE C 42.6 0.3 1 1348 132 132 LYS CG C 26.9 0.3 1 1349 132 132 LYS N N 118.5 0.3 1 1350 133 133 VAL H H 8.63 0.02 1 1351 133 133 VAL HA H 3.44 0.02 1 1352 133 133 VAL HB H 1.93 0.02 1 1353 133 133 VAL HG1 H 0.63 0.02 1 1354 133 133 VAL HG2 H 0.76 0.02 1 1355 133 133 VAL C C 178.7 0.3 1 1356 133 133 VAL CA C 66.5 0.3 1 1357 133 133 VAL CB C 31.4 0.3 1 1358 133 133 VAL CG1 C 23.0 0.3 1 1359 133 133 VAL CG2 C 21.7 0.3 1 1360 133 133 VAL N N 121.5 0.3 1 1361 134 134 ARG H H 8.58 0.02 1 1362 134 134 ARG HA H 3.94 0.02 1 1363 134 134 ARG HB2 H 1.71 0.02 2 1364 134 134 ARG HB3 H 1.60 0.02 2 1365 134 134 ARG HD2 H 3.18 0.02 1 1366 134 134 ARG HD3 H 3.18 0.02 1 1367 134 134 ARG HG2 H 1.84 0.02 1 1368 134 134 ARG HG3 H 1.84 0.02 1 1369 134 134 ARG C C 179.0 0.3 1 1370 134 134 ARG CA C 59.7 0.3 1 1371 134 134 ARG CB C 30.4 0.3 1 1372 134 134 ARG CD C 45.6 0.3 1 1373 134 134 ARG CG C 28.4 0.3 1 1374 134 134 ARG N N 119.6 0.3 1 1375 135 135 LEU H H 7.80 0.02 1 1376 135 135 LEU C C 178.5 0.3 1 1377 135 135 LEU CA C 57.0 0.3 1 1378 135 135 LEU CB C 42.3 0.3 1 1379 135 135 LEU N N 119.9 0.3 1 1380 136 136 HIS HB2 H 3.114 0.02 1 1381 136 136 HIS HB3 H 3.114 0.02 1 1382 136 136 HIS C C 176.808 0.3 1 1383 136 136 HIS CA C 55.985 0.3 1 1384 136 136 HIS CB C 30.028 0.3 1 1385 137 137 ARG H H 8.14 0.02 1 1386 137 137 ARG HA H 4.17 0.02 1 1387 137 137 ARG HB2 H 1.33 0.02 1 1388 137 137 ARG HD2 H 3.10 0.02 1 1389 137 137 ARG HD3 H 3.10 0.02 1 1390 137 137 ARG HG2 H 1.35 0.02 1 1391 137 137 ARG C C 177.2 0.3 1 1392 137 137 ARG CA C 57.3 0.3 1 1393 137 137 ARG CB C 30.5 0.3 1 1394 137 137 ARG CD C 43.6 0.3 1 1395 137 137 ARG CG C 27.3 0.3 1 1396 137 137 ARG N N 125.3 0.3 1 1397 138 138 SER H H 8.17 0.02 1 1398 138 138 SER HA H 4.37 0.02 1 1399 138 138 SER HB2 H 3.95 0.02 1 1400 138 138 SER HB3 H 3.95 0.02 1 1401 138 138 SER C C 175.3 0.3 1 1402 138 138 SER CA C 59.7 0.3 1 1403 138 138 SER CB C 63.5 0.3 1 1404 138 138 SER N N 116.2 0.3 1 1405 139 139 VAL H H 8.03 0.02 1 1406 139 139 VAL HA H 4.01 0.02 1 1407 139 139 VAL HB H 2.10 0.02 1 1408 139 139 VAL HG1 H 0.96 0.02 1 1409 139 139 VAL HG2 H 0.93 0.02 1 1410 139 139 VAL C C 174.0 0.3 1 1411 139 139 VAL CA C 63.5 0.3 1 1412 139 139 VAL CB C 32.5 0.3 1 1413 139 139 VAL CG1 C 24.2 0.3 1 1414 139 139 VAL CG2 C 21.2 0.3 1 1415 139 139 VAL N N 122.2 0.3 1 1416 140 140 ALA H H 8.15 0.02 1 1417 140 140 ALA HA H 4.18 0.02 1 1418 140 140 ALA HB H 1.33 0.02 1 1419 140 140 ALA C C 178.4 0.3 1 1420 140 140 ALA CA C 53.5 0.3 1 1421 140 140 ALA CB C 18.8 0.3 1 1422 140 140 ALA N N 125.3 0.3 1 1423 141 141 ALA H H 8.10 0.02 1 1424 141 141 ALA HA H 4.21 0.02 1 1425 141 141 ALA HB H 1.41 0.02 1 1426 141 141 ALA C C 178.2 0.3 1 1427 141 141 ALA CA C 53.3 0.3 1 1428 141 141 ALA CB C 18.9 0.3 1 1429 141 141 ALA N N 122.1 0.3 1 1430 142 142 ALA H H 7.97 0.02 1 1431 142 142 ALA HA H 4.22 0.02 1 1432 142 142 ALA HB H 1.41 0.02 1 1433 142 142 ALA C C 178.2 0.3 1 1434 142 142 ALA CA C 53.1 0.3 1 1435 142 142 ALA CB C 18.9 0.3 1 1436 142 142 ALA N N 121.9 0.3 1 1437 143 143 LEU H H 7.94 0.02 1 1438 143 143 LEU HA H 4.23 0.02 1 1439 143 143 LEU HB2 H 1.64 0.02 2 1440 143 143 LEU HB3 H 1.52 0.02 2 1441 143 143 LEU HD1 H 0.82 0.02 1 1442 143 143 LEU HD2 H 0.88 0.02 1 1443 143 143 LEU C C 177.8 0.3 1 1444 143 143 LEU CA C 55.6 0.3 1 1445 143 143 LEU CB C 42.3 0.3 1 1446 143 143 LEU CD1 C 23.3 0.3 1 1447 143 143 LEU CD2 C 24.9 0.3 1 1448 143 143 LEU CG C 26.9 0.3 1 1449 143 143 LEU N N 120.0 0.3 1 1450 144 144 GLU H H 8.04 0.02 1 1451 144 144 GLU C C 176.4 0.3 1 1452 144 144 GLU CA C 56.9 0.3 1 1453 144 144 GLU CB C 30.3 0.3 1 1454 144 144 GLU N N 120.5 0.3 1 stop_ save_