data_17850 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Ca2+/CNA1 peptide-bound yCaM ; _BMRB_accession_number 17850 _BMRB_flat_file_name bmr17850.str _Entry_type original _Submission_date 2011-08-10 _Accession_date 2011-08-10 _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 Ogura Kenji . . 2 Takahashi Kiyohiro . . 3 Kobashigawa Yoshihiro . . 4 Yoshida Ryosuke . . 5 Itoh Hiroyuki . . 6 Yazawa Michio . . 7 Inagaki Fuyuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1036 "13C chemical shifts" 757 "15N chemical shifts" 199 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-04-06 update BMRB 'update entry citation' 2012-02-01 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17849 yCaM stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structures of yeast Saccharomyces cerevisiae calmodulin in calcium- and target peptide-bound states reveal similarities and differences to vertebrate calmodulin.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22280008 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ogura Kenji . . 2 Kumeta Hiroyuki . . 3 Takahasi Kiyohiro . . 4 Kobashigawa Yoshihiro . . 5 Yoshida Ryosuke . . 6 Itoh Hiroyuki . . 7 Yazawa Michio . . 8 Inagaki Fuyuhiko . . stop_ _Journal_abbreviation 'Genes Cells' _Journal_name_full 'Genes to cells : devoted to molecular & cellular mechanisms' _Journal_volume 17 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 159 _Page_last 172 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name yCaM_GS_CNA1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label yCaM_GS_CNA1 $yCaM_GS_CNA1 'CALCIUM ION_1' $CA 'CALCIUM ION_2' $CA 'CALCIUM ION_3' $CA 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_yCaM_GS_CNA1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common yCaM_GS_CNA1 _Molecular_mass 19281.693 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 176 _Mol_residue_sequence ; GSSNLTEEQIAEFKEAFALF DKDNNGSISSSELATVMRSL GLSPSEAEVNDLMNEIDVDG NHQIEFSEFLALMSRQLKSN DSEQELLEAFKVFDKNGDGL ISAAELKHVLTSIGEKLTDA EVDDMLREVSDGSGEINIQQ FAALLSKGSSTGTRRKALRN KILAIAKVSRMFSVLR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 SER 4 4 ASN 5 5 LEU 6 6 THR 7 7 GLU 8 8 GLU 9 9 GLN 10 10 ILE 11 11 ALA 12 12 GLU 13 13 PHE 14 14 LYS 15 15 GLU 16 16 ALA 17 17 PHE 18 18 ALA 19 19 LEU 20 20 PHE 21 21 ASP 22 22 LYS 23 23 ASP 24 24 ASN 25 25 ASN 26 26 GLY 27 27 SER 28 28 ILE 29 29 SER 30 30 SER 31 31 SER 32 32 GLU 33 33 LEU 34 34 ALA 35 35 THR 36 36 VAL 37 37 MET 38 38 ARG 39 39 SER 40 40 LEU 41 41 GLY 42 42 LEU 43 43 SER 44 44 PRO 45 45 SER 46 46 GLU 47 47 ALA 48 48 GLU 49 49 VAL 50 50 ASN 51 51 ASP 52 52 LEU 53 53 MET 54 54 ASN 55 55 GLU 56 56 ILE 57 57 ASP 58 58 VAL 59 59 ASP 60 60 GLY 61 61 ASN 62 62 HIS 63 63 GLN 64 64 ILE 65 65 GLU 66 66 PHE 67 67 SER 68 68 GLU 69 69 PHE 70 70 LEU 71 71 ALA 72 72 LEU 73 73 MET 74 74 SER 75 75 ARG 76 76 GLN 77 77 LEU 78 78 LYS 79 79 SER 80 80 ASN 81 81 ASP 82 82 SER 83 83 GLU 84 84 GLN 85 85 GLU 86 86 LEU 87 87 LEU 88 88 GLU 89 89 ALA 90 90 PHE 91 91 LYS 92 92 VAL 93 93 PHE 94 94 ASP 95 95 LYS 96 96 ASN 97 97 GLY 98 98 ASP 99 99 GLY 100 100 LEU 101 101 ILE 102 102 SER 103 103 ALA 104 104 ALA 105 105 GLU 106 106 LEU 107 107 LYS 108 108 HIS 109 109 VAL 110 110 LEU 111 111 THR 112 112 SER 113 113 ILE 114 114 GLY 115 115 GLU 116 116 LYS 117 117 LEU 118 118 THR 119 119 ASP 120 120 ALA 121 121 GLU 122 122 VAL 123 123 ASP 124 124 ASP 125 125 MET 126 126 LEU 127 127 ARG 128 128 GLU 129 129 VAL 130 130 SER 131 131 ASP 132 132 GLY 133 133 SER 134 134 GLY 135 135 GLU 136 136 ILE 137 137 ASN 138 138 ILE 139 139 GLN 140 140 GLN 141 141 PHE 142 142 ALA 143 143 ALA 144 144 LEU 145 145 LEU 146 146 SER 147 147 LYS 148 148 GLY 149 149 SER 150 150 SER 151 151 THR 152 152 GLY 153 153 THR 154 154 ARG 155 155 ARG 156 156 LYS 157 157 ALA 158 158 LEU 159 159 ARG 160 160 ASN 161 161 LYS 162 162 ILE 163 163 LEU 164 164 ALA 165 165 ILE 166 166 ALA 167 167 LYS 168 168 VAL 169 169 SER 170 170 ARG 171 171 MET 172 172 PHE 173 173 SER 174 174 VAL 175 175 LEU 176 176 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 1LKJ "Nmr Structure Of Apo Calmodulin From Yeast Saccharomyces Cerevisiae" 82.95 146 100.00 100.00 6.09e-96 PDB 2LHI "Solution Structure Of Ca2+CNA1 PEPTIDE-Bound Ycam" 100.00 176 100.00 100.00 4.97e-119 DBJ GAA21657 "K7_Cmd1p [Saccharomyces cerevisiae Kyokai no. 7]" 82.95 147 99.32 99.32 3.86e-95 EMBL CAA55612 "calmodulin [Saccharomyces cerevisiae]" 82.95 147 100.00 100.00 5.46e-96 EMBL CAA85064 "CMD1 [Saccharomyces cerevisiae]" 82.95 147 100.00 100.00 5.46e-96 EMBL CAG58389 "unnamed protein product [Candida glabrata]" 82.95 147 98.63 99.32 1.74e-94 EMBL CAR27417 "ZYRO0C16346p [Zygosaccharomyces rouxii]" 82.95 148 97.26 99.32 2.01e-93 EMBL CBK39182 "Cmd1p [Saccharomyces cerevisiae EC1118]" 82.95 147 100.00 100.00 5.46e-96 GB AAA34504 "calmodulin [Saccharomyces cerevisiae]" 82.95 147 100.00 100.00 5.46e-96 GB AAC68888 "calmodulin [Saccharomyces cerevisiae]" 82.95 147 100.00 100.00 5.46e-96 GB AAS56510 "YBR109C [Saccharomyces cerevisiae]" 82.95 147 100.00 100.00 5.46e-96 GB AHY74589 "Cmd1p [Saccharomyces cerevisiae YJM993]" 82.95 147 100.00 100.00 5.46e-96 GB AJP37188 "Cmd1p [Saccharomyces cerevisiae YJM1078]" 82.95 147 100.00 100.00 5.46e-96 REF NP_009667 "calmodulin [Saccharomyces cerevisiae S288c]" 82.95 147 100.00 100.00 5.46e-96 REF XP_001642859 "hypothetical protein Kpol_376p14 [Vanderwaltozyma polyspora DSM 70294]" 82.95 147 97.26 99.32 2.87e-92 REF XP_002496350 "ZYRO0C16346p [Zygosaccharomyces rouxii]" 82.95 148 97.26 99.32 2.01e-93 REF XP_003678123 "hypothetical protein NCAS_0I01100 [Naumovozyma castellii CBS 4309]" 82.95 147 97.26 99.32 3.86e-93 REF XP_003680602 "hypothetical protein TDEL_0C05020 [Torulaspora delbrueckii]" 82.95 147 97.95 99.32 8.28e-94 SP P06787 "RecName: Full=Calmodulin; Short=CaM" 82.95 147 100.00 100.00 5.46e-96 TPG DAA07228 "TPA: calmodulin [Saccharomyces cerevisiae S288c]" 82.95 147 100.00 100.00 5.46e-96 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Aug 26 14:38:08 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $yCaM_GS_CNA1 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $yCaM_GS_CNA1 'recombinant technology' . . . . pGEX6p $CA 'obtained from a vendor' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $yCaM_GS_CNA1 1 mM '[U-99% 13C; U-99% 15N]' MES 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' CaCl2 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 5.2 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'geometry optimization' 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version 2003.027.13.05 loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_RNMRTK _Saveframe_category software _Name RNMRTK _Version v3 loop_ _Vendor _Address _Electronic_address 'Mobli M, Maciejewski MW, Gryk MR, Hoch JC.' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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 $13C15N save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $13C15N save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $13C15N save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C15N save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $13C15N save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C15N save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13C15N save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C15N save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $13C15N save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $13C15N save_ save_3D_HCCH-TOCSY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY aliphatic' _Sample_label $13C15N save_ save_3D_CCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $13C15N save_ save_2D_HbCbCgCdHd_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HbCbCgCdHd' _Sample_label $13C15N save_ save_2D_HbCbCgCdCeHe_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HbCbCgCdCeHe' _Sample_label $13C15N save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $13C15N save_ save_3D_1H-13C_NOESY_aliphatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $13C15N save_ save_3D_1H-13C_NOESY_aromatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $13C15N save_ save_3D_HCCH-TOCSY_aromatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY aromatic' _Sample_label $13C15N save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6.3 . pH pressure 1 . atm 'ionic strength' 150 . mM 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $13C15N stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name yCaM_GS_CNA1 _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 GLY HA2 H 3.970 0.000 . 2 1 1 GLY HA3 H 4.002 0.000 . 3 1 1 GLY H H 8.410 0.000 1 4 1 1 GLY CA C 45.436 0.001 . 5 1 1 GLY N N 109.911 0.000 . 6 2 2 SER H H 8.207 0.000 1 7 2 2 SER HA H 4.474 0.000 1 8 2 2 SER HB2 H 3.819 0.000 2 9 2 2 SER HB3 H 3.902 0.000 2 10 2 2 SER C C 174.661 0.000 1 11 2 2 SER CA C 58.374 0.000 1 12 2 2 SER CB C 63.986 0.001 1 13 2 2 SER N N 115.579 0.000 1 14 3 3 SER H H 8.337 0.000 1 15 3 3 SER HA H 4.439 0.000 1 16 3 3 SER HB2 H 3.855 0.000 2 17 3 3 SER HB3 H 3.855 0.000 2 18 3 3 SER C C 174.122 0.000 1 19 3 3 SER CA C 58.695 0.000 1 20 3 3 SER CB C 63.865 0.000 1 21 3 3 SER N N 117.154 0.000 1 22 4 4 ASN H H 8.432 0.000 1 23 4 4 ASN HA H 4.726 0.000 1 24 4 4 ASN HB2 H 2.753 0.000 2 25 4 4 ASN HB3 H 2.852 0.000 2 26 4 4 ASN HD21 H 7.566 0.001 2 27 4 4 ASN HD22 H 6.883 0.000 2 28 4 4 ASN C C 174.741 0.000 1 29 4 4 ASN CA C 53.326 0.000 1 30 4 4 ASN CB C 38.802 0.002 1 31 4 4 ASN CG C 177.281 0.006 1 32 4 4 ASN N N 120.145 0.000 1 33 4 4 ASN ND2 N 112.888 0.001 1 34 5 5 LEU H H 7.966 0.000 1 35 5 5 LEU HA H 4.679 0.000 1 36 5 5 LEU HB2 H 1.503 0.000 2 37 5 5 LEU HB3 H 1.725 0.000 2 38 5 5 LEU HG H 1.690 0.000 1 39 5 5 LEU HD1 H 0.876 0.000 . 40 5 5 LEU HD2 H 0.889 0.000 . 41 5 5 LEU C C 177.641 0.000 1 42 5 5 LEU CA C 54.465 0.000 1 43 5 5 LEU CB C 43.713 0.004 1 44 5 5 LEU CG C 26.856 0.000 1 45 5 5 LEU CD1 C 26.767 0.000 2 46 5 5 LEU CD2 C 23.661 0.000 2 47 5 5 LEU N N 121.341 0.000 1 48 6 6 THR H H 8.716 0.000 1 49 6 6 THR HA H 4.470 0.000 1 50 6 6 THR HB H 4.779 0.000 1 51 6 6 THR HG1 H 5.658 0.000 1 52 6 6 THR HG2 H 1.332 0.000 . 53 6 6 THR C C 175.390 0.000 1 54 6 6 THR CA C 60.543 0.000 1 55 6 6 THR CB C 71.190 0.000 1 56 6 6 THR CG2 C 21.816 0.000 1 57 6 6 THR N N 113.168 0.000 1 58 7 7 GLU H H 8.997 0.000 1 59 7 7 GLU HA H 3.985 0.000 1 60 7 7 GLU HB2 H 2.066 0.000 2 61 7 7 GLU HB3 H 2.066 0.000 2 62 7 7 GLU HG2 H 2.343 0.000 2 63 7 7 GLU HG3 H 2.415 0.000 2 64 7 7 GLU C C 179.475 0.000 1 65 7 7 GLU CA C 60.073 0.000 1 66 7 7 GLU CB C 29.293 0.000 1 67 7 7 GLU CG C 36.640 0.001 1 68 7 7 GLU N N 120.480 0.000 1 69 8 8 GLU H H 8.603 0.000 1 70 8 8 GLU HA H 4.087 0.000 1 71 8 8 GLU HB2 H 1.944 0.000 2 72 8 8 GLU HB3 H 2.043 0.000 2 73 8 8 GLU HG2 H 2.300 0.000 2 74 8 8 GLU HG3 H 2.300 0.000 2 75 8 8 GLU C C 178.641 0.000 1 76 8 8 GLU CA C 59.835 0.000 1 77 8 8 GLU CB C 29.398 0.006 1 78 8 8 GLU CG C 36.837 0.000 1 79 8 8 GLU N N 119.766 0.000 1 80 9 9 GLN H H 7.730 0.000 1 81 9 9 GLN HA H 3.929 0.000 1 82 9 9 GLN HB2 H 1.802 0.000 2 83 9 9 GLN HB3 H 2.424 0.000 2 84 9 9 GLN HG2 H 2.354 0.000 2 85 9 9 GLN HG3 H 2.427 0.000 2 86 9 9 GLN HE21 H 7.567 0.001 2 87 9 9 GLN HE22 H 6.761 0.002 2 88 9 9 GLN C C 178.969 0.000 1 89 9 9 GLN CA C 58.718 0.000 1 90 9 9 GLN CB C 29.582 0.003 1 91 9 9 GLN CG C 35.092 0.001 1 92 9 9 GLN CD C 179.928 0.000 1 93 9 9 GLN N N 119.234 0.000 1 94 9 9 GLN NE2 N 111.347 0.000 1 95 10 10 ILE H H 8.398 0.000 1 96 10 10 ILE HA H 3.763 0.000 1 97 10 10 ILE HB H 1.994 0.000 1 98 10 10 ILE HG12 H 1.066 0.000 2 99 10 10 ILE HG13 H 1.824 0.000 2 100 10 10 ILE HG2 H 1.108 0.000 . 101 10 10 ILE HD1 H 0.849 0.000 . 102 10 10 ILE C C 178.040 0.000 1 103 10 10 ILE CA C 66.221 0.000 1 104 10 10 ILE CB C 37.952 0.000 1 105 10 10 ILE CG1 C 30.230 0.005 1 106 10 10 ILE CG2 C 17.682 0.000 1 107 10 10 ILE CD1 C 13.044 0.000 1 108 10 10 ILE N N 119.661 0.000 1 109 11 11 ALA H H 8.037 0.000 1 110 11 11 ALA HA H 4.133 0.000 1 111 11 11 ALA HB H 1.566 0.000 . 112 11 11 ALA C C 181.140 0.000 1 113 11 11 ALA CA C 55.454 0.000 1 114 11 11 ALA CB C 17.912 0.000 1 115 11 11 ALA N N 121.678 0.000 1 116 12 12 GLU H H 7.869 0.000 1 117 12 12 GLU HA H 4.118 0.000 1 118 12 12 GLU HB2 H 1.754 0.000 2 119 12 12 GLU HB3 H 2.058 0.000 2 120 12 12 GLU HG2 H 2.161 0.000 2 121 12 12 GLU HG3 H 2.492 0.000 2 122 12 12 GLU C C 180.185 0.000 1 123 12 12 GLU CA C 59.195 0.000 1 124 12 12 GLU CB C 29.379 0.016 1 125 12 12 GLU CG C 36.426 0.002 1 126 12 12 GLU N N 118.175 0.000 1 127 13 13 PHE H H 8.429 0.000 1 128 13 13 PHE HA H 4.890 0.000 1 129 13 13 PHE HB2 H 3.465 0.000 2 130 13 13 PHE HB3 H 3.465 0.000 2 131 13 13 PHE HD1 H 7.207 0.000 3 132 13 13 PHE HD2 H 7.207 0.000 3 133 13 13 PHE HE1 H 7.215 0.000 3 134 13 13 PHE HE2 H 7.215 0.000 3 135 13 13 PHE C C 178.486 0.000 1 136 13 13 PHE CA C 60.449 0.000 1 137 13 13 PHE CB C 38.899 0.000 1 138 13 13 PHE CD2 C 130.196 0.000 3 139 13 13 PHE CE2 C 131.555 0.000 3 140 13 13 PHE N N 119.011 0.000 1 141 14 14 LYS H H 8.925 0.000 1 142 14 14 LYS HA H 4.032 0.000 1 143 14 14 LYS HB2 H 1.927 0.000 2 144 14 14 LYS HB3 H 1.986 0.000 2 145 14 14 LYS HG2 H 1.062 0.000 2 146 14 14 LYS HG3 H 1.355 0.000 2 147 14 14 LYS HD2 H 1.290 0.000 2 148 14 14 LYS HD3 H 1.413 0.000 2 149 14 14 LYS HE2 H 2.568 0.000 2 150 14 14 LYS HE3 H 2.594 0.000 2 151 14 14 LYS C C 179.131 0.000 1 152 14 14 LYS CA C 60.490 0.000 1 153 14 14 LYS CB C 31.913 0.002 1 154 14 14 LYS CG C 25.800 0.002 1 155 14 14 LYS CD C 28.879 0.000 1 156 14 14 LYS CE C 41.793 0.000 1 157 14 14 LYS N N 123.459 0.000 1 158 15 15 GLU H H 8.064 0.000 1 159 15 15 GLU HA H 4.168 0.000 1 160 15 15 GLU HB2 H 2.121 0.000 2 161 15 15 GLU HB3 H 2.227 0.000 2 162 15 15 GLU HG2 H 2.324 0.000 2 163 15 15 GLU HG3 H 2.402 0.000 2 164 15 15 GLU C C 179.163 0.000 1 165 15 15 GLU CA C 59.385 0.000 1 166 15 15 GLU CB C 29.387 0.010 1 167 15 15 GLU CG C 36.402 0.002 1 168 15 15 GLU N N 119.581 0.000 1 169 16 16 ALA H H 7.801 0.000 1 170 16 16 ALA HA H 4.242 0.000 1 171 16 16 ALA HB H 1.898 0.000 . 172 16 16 ALA C C 177.628 0.000 1 173 16 16 ALA CA C 55.185 0.000 1 174 16 16 ALA CB C 17.924 0.000 1 175 16 16 ALA N N 120.993 0.000 1 176 17 17 PHE H H 8.469 0.000 1 177 17 17 PHE HA H 3.354 0.000 1 178 17 17 PHE HB2 H 2.886 0.000 2 179 17 17 PHE HB3 H 3.232 0.000 2 180 17 17 PHE HD1 H 6.690 0.000 3 181 17 17 PHE HD2 H 6.690 0.000 3 182 17 17 PHE HE1 H 7.035 0.000 3 183 17 17 PHE HE2 H 7.035 0.000 3 184 17 17 PHE HZ H 7.306 0.000 1 185 17 17 PHE C C 177.500 0.000 1 186 17 17 PHE CA C 61.700 0.000 1 187 17 17 PHE CB C 39.978 0.007 1 188 17 17 PHE CD1 C 131.958 0.000 3 189 17 17 PHE CE1 C 131.291 0.000 3 190 17 17 PHE CZ C 129.749 0.000 1 191 17 17 PHE N N 118.745 0.000 1 192 18 18 ALA H H 8.187 0.000 1 193 18 18 ALA HA H 4.010 0.000 1 194 18 18 ALA HB H 1.561 0.000 . 195 18 18 ALA C C 178.535 0.000 1 196 18 18 ALA CA C 54.416 0.000 1 197 18 18 ALA CB C 18.487 0.000 1 198 18 18 ALA N N 119.942 0.000 1 199 19 19 LEU H H 7.254 0.000 1 200 19 19 LEU HA H 3.960 0.000 1 201 19 19 LEU HB2 H 1.608 0.000 2 202 19 19 LEU HB3 H 1.697 0.000 2 203 19 19 LEU HG H 1.451 0.000 1 204 19 19 LEU HD1 H 0.687 0.000 . 205 19 19 LEU HD2 H 0.769 0.000 . 206 19 19 LEU C C 176.795 0.000 1 207 19 19 LEU CA C 57.435 0.000 1 208 19 19 LEU CB C 41.682 0.004 1 209 19 19 LEU CG C 26.600 0.000 1 210 19 19 LEU CD1 C 24.783 0.000 2 211 19 19 LEU CD2 C 24.595 0.000 2 212 19 19 LEU N N 116.851 0.000 1 213 20 20 PHE H H 7.041 0.000 1 214 20 20 PHE HA H 4.259 0.000 1 215 20 20 PHE HB2 H 2.682 0.000 2 216 20 20 PHE HB3 H 2.682 0.000 2 217 20 20 PHE HD1 H 7.320 0.000 3 218 20 20 PHE HD2 H 7.320 0.000 3 219 20 20 PHE HE1 H 7.285 0.000 3 220 20 20 PHE HE2 H 7.285 0.000 3 221 20 20 PHE HZ H 7.128 0.000 1 222 20 20 PHE C C 177.033 0.000 1 223 20 20 PHE CA C 58.656 0.000 1 224 20 20 PHE CB C 42.164 0.000 1 225 20 20 PHE CD1 C 132.689 0.000 3 226 20 20 PHE CE1 C 130.550 0.000 3 227 20 20 PHE CZ C 128.791 0.000 1 228 20 20 PHE N N 111.977 0.000 1 229 21 21 ASP H H 7.567 0.000 1 230 21 21 ASP HA H 4.585 0.000 1 231 21 21 ASP HB2 H 1.423 0.000 2 232 21 21 ASP HB3 H 2.409 0.000 2 233 21 21 ASP C C 177.297 0.000 1 234 21 21 ASP CA C 52.671 0.000 1 235 21 21 ASP CB C 39.002 0.007 1 236 21 21 ASP N N 116.981 0.000 1 237 22 22 LYS H H 7.820 0.000 1 238 22 22 LYS HA H 3.992 0.000 1 239 22 22 LYS HB2 H 1.884 0.000 2 240 22 22 LYS HB3 H 1.884 0.000 2 241 22 22 LYS HG2 H 1.453 0.000 2 242 22 22 LYS HG3 H 1.561 0.000 2 243 22 22 LYS HD2 H 1.668 0.000 2 244 22 22 LYS HD3 H 1.668 0.000 2 245 22 22 LYS HE2 H 2.978 0.000 2 246 22 22 LYS HE3 H 3.026 0.000 2 247 22 22 LYS C C 177.866 0.000 1 248 22 22 LYS CA C 58.233 0.000 1 249 22 22 LYS CB C 32.627 0.000 1 250 22 22 LYS CG C 24.439 0.002 1 251 22 22 LYS CD C 28.246 0.000 1 252 22 22 LYS CE C 42.197 0.004 1 253 22 22 LYS N N 124.748 0.000 1 254 23 23 ASP H H 8.025 0.000 1 255 23 23 ASP HA H 4.603 0.000 1 256 23 23 ASP HB2 H 2.572 0.000 2 257 23 23 ASP HB3 H 3.088 0.000 2 258 23 23 ASP C C 176.266 0.000 1 259 23 23 ASP CA C 52.647 0.000 1 260 23 23 ASP CB C 39.283 0.001 1 261 23 23 ASP N N 114.211 0.000 1 262 24 24 ASN H H 7.962 0.000 1 263 24 24 ASN HA H 4.389 0.000 1 264 24 24 ASN HB2 H 2.622 0.000 2 265 24 24 ASN HB3 H 3.097 0.000 2 266 24 24 ASN HD21 H 7.519 0.000 2 267 24 24 ASN HD22 H 6.690 0.000 2 268 24 24 ASN C C 174.828 0.000 1 269 24 24 ASN CA C 54.507 0.000 1 270 24 24 ASN CB C 38.031 0.001 1 271 24 24 ASN CG C 178.387 0.004 1 272 24 24 ASN N N 115.587 0.000 1 273 24 24 ASN ND2 N 112.257 0.001 1 274 25 25 ASN H H 8.489 0.000 1 275 25 25 ASN HA H 4.848 0.000 1 276 25 25 ASN HB2 H 2.542 0.000 2 277 25 25 ASN HB3 H 3.313 0.000 2 278 25 25 ASN HD21 H 7.918 0.000 2 279 25 25 ASN HD22 H 7.126 0.000 2 280 25 25 ASN C C 177.553 0.000 1 281 25 25 ASN CA C 52.315 0.000 1 282 25 25 ASN CB C 38.543 0.003 1 283 25 25 ASN CG C 179.731 0.027 1 284 25 25 ASN N N 117.385 0.000 1 285 25 25 ASN ND2 N 115.888 0.001 1 286 26 26 GLY H H 10.580 0.000 1 287 26 26 GLY HA2 H 3.750 0.000 . 288 26 26 GLY HA3 H 4.440 0.000 2 289 26 26 GLY C C 173.371 0.000 1 290 26 26 GLY CA C 45.538 0.001 1 291 26 26 GLY N N 113.934 0.000 1 292 27 27 SER H H 7.793 0.000 1 293 27 27 SER HA H 5.358 0.000 1 294 27 27 SER HB2 H 3.333 0.000 2 295 27 27 SER HB3 H 3.775 0.000 2 296 27 27 SER C C 172.645 0.000 1 297 27 27 SER CA C 57.474 0.000 1 298 27 27 SER CB C 66.576 0.001 1 299 27 27 SER N N 113.842 0.000 1 300 28 28 ILE H H 9.787 0.000 1 301 28 28 ILE HA H 4.825 0.000 1 302 28 28 ILE HB H 1.839 0.000 1 303 28 28 ILE HG12 H 0.107 0.000 2 304 28 28 ILE HG13 H 1.254 0.000 2 305 28 28 ILE HG2 H 0.939 0.000 . 306 28 28 ILE HD1 H 0.159 0.000 . 307 28 28 ILE C C 175.890 0.000 1 308 28 28 ILE CA C 60.176 0.000 1 309 28 28 ILE CB C 39.094 0.000 1 310 28 28 ILE CG1 C 26.468 0.011 1 311 28 28 ILE CG2 C 17.570 0.000 1 312 28 28 ILE CD1 C 14.575 0.000 1 313 28 28 ILE N N 127.597 0.000 1 314 29 29 SER H H 9.320 0.000 1 315 29 29 SER HA H 4.813 0.000 1 316 29 29 SER HB2 H 4.008 0.000 2 317 29 29 SER HB3 H 4.512 0.000 2 318 29 29 SER HG H 5.779 0.000 1 319 29 29 SER C C 175.477 0.000 1 320 29 29 SER CA C 56.583 0.000 1 321 29 29 SER CB C 66.269 0.005 1 322 29 29 SER N N 124.860 0.000 1 323 30 30 SER H H 9.554 0.000 1 324 30 30 SER HA H 4.141 0.000 1 325 30 30 SER HB2 H 3.945 0.000 2 326 30 30 SER HB3 H 3.997 0.000 2 327 30 30 SER C C 176.531 0.000 1 328 30 30 SER CA C 62.690 0.000 1 329 30 30 SER CB C 62.264 0.002 1 330 30 30 SER N N 117.383 0.000 1 331 31 31 SER H H 8.141 0.000 1 332 31 31 SER HA H 4.309 0.000 1 333 31 31 SER HB2 H 3.894 0.000 2 334 31 31 SER HB3 H 3.926 0.000 2 335 31 31 SER C C 178.017 0.000 1 336 31 31 SER CA C 61.332 0.000 1 337 31 31 SER CB C 62.512 0.001 1 338 31 31 SER N N 116.232 0.000 1 339 32 32 GLU H H 7.947 0.000 1 340 32 32 GLU HA H 4.053 0.000 1 341 32 32 GLU HB2 H 2.546 0.000 2 342 32 32 GLU HB3 H 2.682 0.000 2 343 32 32 GLU HG2 H 2.348 0.000 2 344 32 32 GLU HG3 H 2.547 0.000 2 345 32 32 GLU C C 179.222 0.000 1 346 32 32 GLU CA C 59.699 0.000 1 347 32 32 GLU CB C 29.252 0.004 1 348 32 32 GLU CG C 38.088 0.005 1 349 32 32 GLU N N 125.663 0.000 1 350 33 33 LEU H H 8.424 0.000 1 351 33 33 LEU HA H 4.168 0.000 1 352 33 33 LEU HB2 H 1.512 0.000 2 353 33 33 LEU HB3 H 2.034 0.000 2 354 33 33 LEU HG H 1.684 0.000 1 355 33 33 LEU HD1 H 0.876 0.000 . 356 33 33 LEU HD2 H 0.895 0.000 . 357 33 33 LEU C C 178.493 0.000 1 358 33 33 LEU CA C 58.907 0.000 1 359 33 33 LEU CB C 42.317 0.011 1 360 33 33 LEU CG C 27.058 0.000 1 361 33 33 LEU CD1 C 26.012 0.000 2 362 33 33 LEU CD2 C 23.733 0.000 2 363 33 33 LEU N N 120.624 0.000 1 364 34 34 ALA H H 8.410 0.000 1 365 34 34 ALA HA H 3.824 0.000 1 366 34 34 ALA HB H 1.557 0.000 . 367 34 34 ALA C C 179.360 0.000 1 368 34 34 ALA CA C 55.596 0.000 1 369 34 34 ALA CB C 18.677 0.000 1 370 34 34 ALA N N 119.635 0.000 1 371 35 35 THR H H 8.263 0.000 1 372 35 35 THR HA H 3.886 0.000 1 373 35 35 THR HB H 4.407 0.000 1 374 35 35 THR HG1 H 5.564 0.000 1 375 35 35 THR HG2 H 1.270 0.000 . 376 35 35 THR C C 177.278 0.000 1 377 35 35 THR CA C 67.317 0.000 1 378 35 35 THR CB C 68.774 0.000 1 379 35 35 THR CG2 C 21.281 0.000 1 380 35 35 THR N N 114.602 0.000 1 381 36 36 VAL H H 7.790 0.000 1 382 36 36 VAL HA H 3.605 0.000 1 383 36 36 VAL HB H 2.026 0.000 1 384 36 36 VAL HG1 H 0.399 0.000 . 385 36 36 VAL HG2 H 0.795 0.000 . 386 36 36 VAL C C 178.653 0.000 1 387 36 36 VAL CA C 66.738 0.000 1 388 36 36 VAL CB C 31.303 0.000 1 389 36 36 VAL CG1 C 20.625 0.000 2 390 36 36 VAL CG2 C 24.011 0.000 2 391 36 36 VAL N N 122.295 0.000 1 392 37 37 MET H H 8.081 0.000 1 393 37 37 MET HA H 3.642 0.000 1 394 37 37 MET HB2 H 1.727 0.000 2 395 37 37 MET HB3 H 2.001 0.000 2 396 37 37 MET HG2 H 2.738 0.000 2 397 37 37 MET HG3 H 2.738 0.000 2 398 37 37 MET HE H 1.525 0.000 . 399 37 37 MET C C 178.172 0.000 1 400 37 37 MET CA C 60.506 0.000 1 401 37 37 MET CB C 32.347 0.001 1 402 37 37 MET CG C 33.124 0.000 1 403 37 37 MET CE C 17.630 0.000 1 404 37 37 MET N N 117.677 0.000 1 405 38 38 ARG H H 8.547 0.000 1 406 38 38 ARG HA H 4.688 0.000 1 407 38 38 ARG HB2 H 1.921 0.000 2 408 38 38 ARG HB3 H 1.921 0.000 2 409 38 38 ARG HG2 H 1.755 0.000 2 410 38 38 ARG HG3 H 1.828 0.000 2 411 38 38 ARG HD2 H 3.111 0.000 2 412 38 38 ARG HD3 H 3.270 0.000 2 413 38 38 ARG HE H 7.494 0.000 1 414 38 38 ARG C C 181.486 0.000 1 415 38 38 ARG CA C 59.101 0.000 1 416 38 38 ARG CB C 30.012 0.000 1 417 38 38 ARG CG C 29.065 0.002 1 418 38 38 ARG CD C 43.624 0.001 1 419 38 38 ARG CZ C 159.369 0.000 1 420 38 38 ARG N N 118.309 0.000 1 421 38 38 ARG NE N 84.921 0.000 1 422 39 39 SER H H 8.226 0.000 1 423 39 39 SER HA H 4.301 0.000 1 424 39 39 SER HB2 H 3.900 0.000 2 425 39 39 SER HB3 H 4.033 0.000 2 426 39 39 SER C C 174.899 0.000 1 427 39 39 SER CA C 61.925 0.000 1 428 39 39 SER CB C 62.773 0.006 1 429 39 39 SER N N 119.250 0.000 1 430 40 40 LEU H H 7.343 0.000 1 431 40 40 LEU HA H 4.270 0.000 1 432 40 40 LEU HB2 H 1.683 0.000 2 433 40 40 LEU HB3 H 1.827 0.000 2 434 40 40 LEU HG H 1.839 0.000 1 435 40 40 LEU HD1 H 0.657 0.000 . 436 40 40 LEU HD2 H 0.773 0.000 . 437 40 40 LEU C C 176.681 0.000 1 438 40 40 LEU CA C 54.583 0.000 1 439 40 40 LEU CB C 41.708 0.012 1 440 40 40 LEU CG C 26.210 0.000 1 441 40 40 LEU CD1 C 22.409 0.000 2 442 40 40 LEU CD2 C 26.165 0.000 2 443 40 40 LEU N N 119.516 0.000 1 444 41 41 GLY H H 7.858 0.000 1 445 41 41 GLY HA2 H 3.759 0.000 . 446 41 41 GLY HA3 H 4.280 0.000 2 447 41 41 GLY C C 174.471 0.000 1 448 41 41 GLY CA C 45.239 0.002 1 449 41 41 GLY N N 105.983 0.000 1 450 42 42 LEU H H 7.707 0.000 1 451 42 42 LEU HA H 4.471 0.000 1 452 42 42 LEU HB2 H 1.213 0.000 2 453 42 42 LEU HB3 H 1.376 0.000 2 454 42 42 LEU HG H 1.518 0.000 1 455 42 42 LEU HD1 H 0.690 0.000 . 456 42 42 LEU HD2 H 0.825 0.000 . 457 42 42 LEU C C 175.965 0.000 1 458 42 42 LEU CA C 54.245 0.000 1 459 42 42 LEU CB C 42.531 0.000 1 460 42 42 LEU CG C 27.389 0.000 1 461 42 42 LEU CD1 C 25.127 0.000 2 462 42 42 LEU CD2 C 22.514 0.000 2 463 42 42 LEU N N 120.442 0.000 1 464 43 43 SER H H 8.634 0.000 1 465 43 43 SER HA H 4.798 0.000 1 466 43 43 SER HB2 H 3.717 0.000 2 467 43 43 SER HB3 H 3.841 0.000 2 468 43 43 SER CA C 54.912 0.000 1 469 43 43 SER CB C 63.197 0.001 1 470 43 43 SER N N 112.838 0.000 1 471 44 44 PRO HA H 4.792 0.000 1 472 44 44 PRO HB2 H 2.017 0.000 2 473 44 44 PRO HB3 H 1.739 0.000 2 474 44 44 PRO HG2 H 1.820 0.000 2 475 44 44 PRO HG3 H 1.820 0.000 2 476 44 44 PRO HD2 H 2.907 0.000 2 477 44 44 PRO HD3 H 3.521 0.000 2 478 44 44 PRO CA C 61.881 0.000 1 479 44 44 PRO CB C 32.200 0.004 1 480 44 44 PRO CG C 26.426 0.000 1 481 44 44 PRO CD C 49.745 0.000 1 482 45 45 SER H H 9.387 0.000 1 483 45 45 SER HA H 4.611 0.000 1 484 45 45 SER HB2 H 4.057 0.000 2 485 45 45 SER HB3 H 4.410 0.000 2 486 45 45 SER C C 174.913 0.000 1 487 45 45 SER CA C 56.689 0.000 1 488 45 45 SER CB C 65.502 0.005 1 489 45 45 SER N N 119.898 0.000 1 490 46 46 GLU H H 8.913 0.000 1 491 46 46 GLU HA H 3.939 0.000 1 492 46 46 GLU HB2 H 2.033 0.000 2 493 46 46 GLU HB3 H 2.033 0.000 2 494 46 46 GLU HG2 H 2.279 0.000 2 495 46 46 GLU HG3 H 2.368 0.000 2 496 46 46 GLU C C 179.002 0.000 1 497 46 46 GLU CA C 60.135 0.000 1 498 46 46 GLU CB C 29.347 0.000 1 499 46 46 GLU CG C 36.554 0.003 1 500 46 46 GLU N N 121.468 0.000 1 501 47 47 ALA H H 8.324 0.000 1 502 47 47 ALA HA H 4.152 0.000 1 503 47 47 ALA HB H 1.434 0.000 . 504 47 47 ALA C C 179.962 0.000 1 505 47 47 ALA CA C 55.118 0.000 1 506 47 47 ALA CB C 18.355 0.000 1 507 47 47 ALA N N 121.115 0.000 1 508 48 48 GLU H H 7.756 0.000 1 509 48 48 GLU HA H 4.104 0.000 1 510 48 48 GLU HB2 H 1.958 0.000 2 511 48 48 GLU HB3 H 2.449 0.000 2 512 48 48 GLU HG2 H 2.297 0.000 2 513 48 48 GLU HG3 H 2.365 0.000 2 514 48 48 GLU C C 179.558 0.000 1 515 48 48 GLU CA C 59.218 0.000 1 516 48 48 GLU CB C 29.904 0.016 1 517 48 48 GLU CG C 37.389 0.007 1 518 48 48 GLU N N 118.713 0.000 1 519 49 49 VAL H H 8.129 0.000 1 520 49 49 VAL HA H 3.464 0.000 1 521 49 49 VAL HB H 2.187 0.000 1 522 49 49 VAL HG1 H 0.992 0.000 . 523 49 49 VAL HG2 H 1.026 0.000 . 524 49 49 VAL C C 177.505 0.000 1 525 49 49 VAL CA C 67.471 0.000 1 526 49 49 VAL CB C 31.441 0.000 1 527 49 49 VAL CG1 C 23.272 0.000 2 528 49 49 VAL CG2 C 22.076 0.000 2 529 49 49 VAL N N 119.108 0.000 1 530 50 50 ASN H H 8.071 0.000 1 531 50 50 ASN HA H 4.388 0.000 1 532 50 50 ASN HB2 H 2.883 0.000 2 533 50 50 ASN HB3 H 2.883 0.000 2 534 50 50 ASN HD21 H 7.745 0.002 2 535 50 50 ASN HD22 H 7.080 0.002 2 536 50 50 ASN C C 177.275 0.000 1 537 50 50 ASN CA C 56.781 0.000 1 538 50 50 ASN CB C 38.397 0.000 1 539 50 50 ASN CG C 176.429 0.009 1 540 50 50 ASN N N 117.942 0.000 1 541 50 50 ASN ND2 N 114.287 0.000 1 542 51 51 ASP H H 8.364 0.000 1 543 51 51 ASP HA H 4.491 0.000 1 544 51 51 ASP HB2 H 2.674 0.000 2 545 51 51 ASP HB3 H 2.867 0.000 2 546 51 51 ASP C C 179.203 0.000 1 547 51 51 ASP CA C 57.595 0.000 1 548 51 51 ASP CB C 40.314 0.009 1 549 51 51 ASP N N 120.669 0.000 1 550 52 52 LEU H H 8.018 0.000 1 551 52 52 LEU HA H 4.070 0.000 1 552 52 52 LEU HB2 H 1.572 0.000 2 553 52 52 LEU HB3 H 1.846 0.000 2 554 52 52 LEU HG H 1.753 0.000 1 555 52 52 LEU HD1 H 0.891 0.000 . 556 52 52 LEU HD2 H 0.898 0.000 . 557 52 52 LEU C C 179.017 0.000 1 558 52 52 LEU CA C 58.457 0.000 1 559 52 52 LEU CB C 42.081 0.004 1 560 52 52 LEU CG C 27.417 0.000 1 561 52 52 LEU CD1 C 25.491 0.000 2 562 52 52 LEU CD2 C 25.512 0.000 2 563 52 52 LEU N N 122.409 0.000 1 564 53 53 MET H H 8.562 0.000 1 565 53 53 MET HA H 4.112 0.000 1 566 53 53 MET HB2 H 2.042 0.000 2 567 53 53 MET HB3 H 2.042 0.000 2 568 53 53 MET HG2 H 2.368 0.000 2 569 53 53 MET HG3 H 2.368 0.000 2 570 53 53 MET HE H 1.907 0.000 . 571 53 53 MET CA C 57.472 0.000 1 572 53 53 MET CB C 30.021 0.000 1 573 53 53 MET CG C 31.620 0.000 1 574 53 53 MET CE C 16.503 0.000 1 575 53 53 MET N N 117.391 0.000 1 576 54 54 ASN H H 8.204 0.000 1 577 54 54 ASN HA H 4.558 0.000 1 578 54 54 ASN HB2 H 2.909 0.000 2 579 54 54 ASN HB3 H 2.995 0.000 2 580 54 54 ASN HD21 H 7.848 0.001 2 581 54 54 ASN HD22 H 6.767 0.002 2 582 54 54 ASN C C 176.801 0.000 1 583 54 54 ASN CA C 55.297 0.000 1 584 54 54 ASN CB C 38.157 0.011 1 585 54 54 ASN CG C 176.383 0.009 1 586 54 54 ASN N N 115.554 0.000 1 587 54 54 ASN ND2 N 112.252 0.000 1 588 55 55 GLU H H 7.617 0.000 1 589 55 55 GLU HA H 4.202 0.000 1 590 55 55 GLU HB2 H 2.124 0.000 2 591 55 55 GLU HB3 H 2.218 0.000 2 592 55 55 GLU HG2 H 2.337 0.000 2 593 55 55 GLU HG3 H 2.337 0.000 2 594 55 55 GLU C C 177.093 0.000 1 595 55 55 GLU CA C 57.827 0.000 1 596 55 55 GLU CB C 30.020 0.002 1 597 55 55 GLU CG C 35.703 0.000 1 598 55 55 GLU N N 117.659 0.000 1 599 56 56 ILE H H 7.472 0.000 1 600 56 56 ILE HA H 3.884 0.000 1 601 56 56 ILE HB H 1.562 0.000 1 602 56 56 ILE HG12 H 0.833 0.000 2 603 56 56 ILE HG13 H 1.913 0.000 2 604 56 56 ILE HG2 H 0.919 0.000 . 605 56 56 ILE HD1 H 0.666 0.000 . 606 56 56 ILE C C 176.029 0.000 1 607 56 56 ILE CA C 62.814 0.000 1 608 56 56 ILE CB C 39.928 0.000 1 609 56 56 ILE CG1 C 27.751 0.002 1 610 56 56 ILE CG2 C 19.207 0.000 1 611 56 56 ILE CD1 C 13.109 0.000 1 612 56 56 ILE N N 117.618 0.000 1 613 57 57 ASP H H 8.304 0.000 1 614 57 57 ASP HA H 4.412 0.000 1 615 57 57 ASP HB2 H 2.462 0.000 2 616 57 57 ASP HB3 H 2.804 0.000 2 617 57 57 ASP C C 175.691 0.000 1 618 57 57 ASP CA C 54.533 0.000 1 619 57 57 ASP CB C 41.245 0.005 1 620 57 57 ASP N N 118.636 0.000 1 621 58 58 VAL H H 7.926 0.000 1 622 58 58 VAL HA H 3.994 0.000 1 623 58 58 VAL HB H 2.178 0.000 1 624 58 58 VAL HG1 H 0.940 0.000 . 625 58 58 VAL HG2 H 1.081 0.000 . 626 58 58 VAL C C 177.258 0.000 1 627 58 58 VAL CA C 64.334 0.000 1 628 58 58 VAL CB C 33.307 0.000 1 629 58 58 VAL CG1 C 21.184 0.000 2 630 58 58 VAL CG2 C 21.567 0.000 2 631 58 58 VAL N N 126.376 0.000 1 632 59 59 ASP H H 8.363 0.000 1 633 59 59 ASP HA H 4.557 0.000 1 634 59 59 ASP HB2 H 2.678 0.000 2 635 59 59 ASP HB3 H 2.987 0.000 2 636 59 59 ASP C C 177.759 0.000 1 637 59 59 ASP CA C 53.876 0.000 1 638 59 59 ASP CB C 40.058 0.003 1 639 59 59 ASP N N 117.093 0.000 1 640 60 60 GLY H H 7.636 0.000 1 641 60 60 GLY HA2 H 3.732 0.000 . 642 60 60 GLY HA3 H 3.996 0.000 2 643 60 60 GLY C C 174.700 0.000 1 644 60 60 GLY CA C 47.120 0.001 1 645 60 60 GLY N N 108.290 0.000 1 646 61 61 ASN H H 8.078 0.000 1 647 61 61 ASN HA H 4.529 0.000 1 648 61 61 ASN HB2 H 2.682 0.000 2 649 61 61 ASN HB3 H 3.199 0.000 2 650 61 61 ASN HD21 H 9.006 0.000 2 651 61 61 ASN HD22 H 7.710 0.001 2 652 61 61 ASN C C 175.856 0.000 1 653 61 61 ASN CA C 52.360 0.000 1 654 61 61 ASN CB C 37.177 0.001 1 655 61 61 ASN N N 118.884 0.000 1 656 61 61 ASN ND2 N 118.282 0.003 1 657 62 62 HIS H H 9.958 0.000 1 658 62 62 HIS HA H 3.877 0.000 1 659 62 62 HIS HB2 H 3.436 0.000 2 660 62 62 HIS HB3 H 3.555 0.000 2 661 62 62 HIS HD2 H 7.223 0.000 1 662 62 62 HIS HE1 H 8.504 0.000 1 663 62 62 HIS C C 172.310 0.000 1 664 62 62 HIS CA C 56.373 0.000 1 665 62 62 HIS CB C 26.734 0.001 1 666 62 62 HIS CD2 C 120.482 0.000 1 667 62 62 HIS CE1 C 136.589 0.000 1 668 62 62 HIS N N 117.381 0.000 1 669 63 63 GLN H H 7.535 0.000 1 670 63 63 GLN HA H 4.832 0.000 1 671 63 63 GLN HB2 H 1.778 0.000 2 672 63 63 GLN HB3 H 1.966 0.000 2 673 63 63 GLN HG2 H 2.137 0.000 2 674 63 63 GLN HG3 H 2.255 0.000 2 675 63 63 GLN HE21 H 7.147 0.000 2 676 63 63 GLN HE22 H 6.608 0.000 2 677 63 63 GLN C C 174.861 0.000 1 678 63 63 GLN CA C 53.875 0.000 1 679 63 63 GLN CB C 32.150 0.001 1 680 63 63 GLN CG C 33.559 0.002 1 681 63 63 GLN CD C 180.032 0.007 1 682 63 63 GLN N N 112.906 0.000 1 683 63 63 GLN NE2 N 110.417 0.002 1 684 64 64 ILE H H 9.274 0.000 1 685 64 64 ILE HA H 5.072 0.000 1 686 64 64 ILE HB H 2.072 0.000 1 687 64 64 ILE HG12 H 0.870 0.000 2 688 64 64 ILE HG13 H 1.624 0.000 2 689 64 64 ILE HG2 H 1.113 0.000 . 690 64 64 ILE HD1 H 0.775 0.000 . 691 64 64 ILE C C 176.670 0.000 1 692 64 64 ILE CA C 59.671 0.000 1 693 64 64 ILE CB C 39.167 0.000 1 694 64 64 ILE CG1 C 26.907 0.003 1 695 64 64 ILE CG2 C 18.804 0.000 1 696 64 64 ILE CD1 C 13.879 0.000 1 697 64 64 ILE N N 124.083 0.000 1 698 65 65 GLU H H 8.848 0.000 1 699 65 65 GLU HA H 5.040 0.000 1 700 65 65 GLU HB2 H 2.029 0.000 2 701 65 65 GLU HB3 H 2.396 0.000 2 702 65 65 GLU HG2 H 2.316 0.000 2 703 65 65 GLU HG3 H 2.612 0.000 2 704 65 65 GLU C C 178.156 0.000 1 705 65 65 GLU CA C 57.848 0.000 1 706 65 65 GLU CB C 31.180 0.001 1 707 65 65 GLU CG C 39.430 0.000 1 708 65 65 GLU N N 129.276 0.000 1 709 66 66 PHE H H 9.353 0.000 1 710 66 66 PHE HA H 3.690 0.000 1 711 66 66 PHE HB2 H 2.301 0.000 2 712 66 66 PHE HB3 H 2.701 0.000 2 713 66 66 PHE HD1 H 6.648 0.000 3 714 66 66 PHE HD2 H 6.648 0.000 3 715 66 66 PHE HE1 H 7.163 0.000 3 716 66 66 PHE HE2 H 7.163 0.000 3 717 66 66 PHE HZ H 7.351 0.000 1 718 66 66 PHE C C 177.294 0.000 1 719 66 66 PHE CA C 62.020 0.000 1 720 66 66 PHE CB C 37.954 0.008 1 721 66 66 PHE CD1 C 131.855 0.000 3 722 66 66 PHE CE1 C 130.629 0.000 3 723 66 66 PHE CZ C 129.516 0.000 1 724 66 66 PHE N N 124.260 0.000 1 725 67 67 SER H H 9.035 0.000 1 726 67 67 SER HA H 3.726 0.000 1 727 67 67 SER HB2 H 3.847 0.000 2 728 67 67 SER HB3 H 3.930 0.000 2 729 67 67 SER C C 177.352 0.000 1 730 67 67 SER CA C 61.581 0.000 1 731 67 67 SER CB C 61.379 0.000 1 732 67 67 SER N N 112.827 0.000 1 733 68 68 GLU H H 6.829 0.000 1 734 68 68 GLU HA H 4.135 0.000 1 735 68 68 GLU HB2 H 2.281 0.000 2 736 68 68 GLU HB3 H 2.795 0.000 2 737 68 68 GLU HG2 H 2.426 0.000 2 738 68 68 GLU HG3 H 2.582 0.000 2 739 68 68 GLU C C 178.895 0.000 1 740 68 68 GLU CA C 57.978 0.000 1 741 68 68 GLU CB C 29.277 0.020 1 742 68 68 GLU CG C 36.557 0.001 1 743 68 68 GLU N N 123.071 0.000 1 744 69 69 PHE H H 8.245 0.000 1 745 69 69 PHE HA H 3.899 0.000 1 746 69 69 PHE HB2 H 3.047 0.000 2 747 69 69 PHE HB3 H 3.348 0.000 2 748 69 69 PHE HD1 H 6.882 0.000 3 749 69 69 PHE HD2 H 6.882 0.000 3 750 69 69 PHE HE1 H 7.319 0.000 3 751 69 69 PHE HE2 H 7.319 0.000 3 752 69 69 PHE HZ H 7.217 0.000 1 753 69 69 PHE C C 176.325 0.000 1 754 69 69 PHE CA C 61.426 0.000 1 755 69 69 PHE CB C 40.428 0.005 1 756 69 69 PHE CD1 C 131.290 0.000 3 757 69 69 PHE CE1 C 131.031 0.000 3 758 69 69 PHE CZ C 129.658 0.000 1 759 69 69 PHE N N 123.805 0.000 1 760 70 70 LEU H H 8.788 0.000 1 761 70 70 LEU HA H 3.236 0.000 1 762 70 70 LEU HB2 H 1.148 0.000 2 763 70 70 LEU HB3 H 1.148 0.000 2 764 70 70 LEU HG H 0.948 0.000 1 765 70 70 LEU HD1 H 0.469 0.000 . 766 70 70 LEU HD2 H 0.554 0.000 . 767 70 70 LEU C C 179.131 0.000 1 768 70 70 LEU CA C 57.477 0.000 1 769 70 70 LEU CB C 41.328 0.000 1 770 70 70 LEU CG C 26.041 0.000 1 771 70 70 LEU CD1 C 25.138 0.000 2 772 70 70 LEU CD2 C 24.263 0.000 2 773 70 70 LEU N N 119.210 0.000 1 774 71 71 ALA H H 7.365 0.000 1 775 71 71 ALA HA H 3.909 0.000 1 776 71 71 ALA HB H 1.427 0.000 . 777 71 71 ALA C C 179.804 0.000 1 778 71 71 ALA CA C 55.116 0.000 1 779 71 71 ALA CB C 17.762 0.000 1 780 71 71 ALA N N 121.612 0.000 1 781 72 72 LEU H H 7.142 0.000 1 782 72 72 LEU HA H 3.964 0.000 1 783 72 72 LEU HB2 H 1.503 0.000 2 784 72 72 LEU HB3 H 1.832 0.000 2 785 72 72 LEU HG H 1.251 0.000 1 786 72 72 LEU HD1 H 0.660 0.000 . 787 72 72 LEU HD2 H 0.846 0.000 . 788 72 72 LEU C C 178.415 0.000 1 789 72 72 LEU CA C 57.817 0.000 1 790 72 72 LEU CB C 41.468 0.004 1 791 72 72 LEU CG C 26.988 0.000 1 792 72 72 LEU CD1 C 25.337 0.000 2 793 72 72 LEU CD2 C 23.416 0.000 2 794 72 72 LEU N N 118.944 0.000 1 795 73 73 MET H H 7.726 0.000 1 796 73 73 MET HA H 3.978 0.000 1 797 73 73 MET HB2 H 1.172 0.000 2 798 73 73 MET HB3 H 1.172 0.000 2 799 73 73 MET HG2 H 1.518 0.000 2 800 73 73 MET HG3 H 1.518 0.000 2 801 73 73 MET HE H 1.710 0.000 . 802 73 73 MET C C 178.283 0.000 1 803 73 73 MET CA C 55.701 0.000 1 804 73 73 MET CB C 30.742 0.000 1 805 73 73 MET CG C 31.974 0.000 1 806 73 73 MET CE C 17.220 0.000 1 807 73 73 MET N N 114.500 0.000 1 808 74 74 SER H H 7.857 0.000 1 809 74 74 SER HA H 4.287 0.000 1 810 74 74 SER HB2 H 3.742 0.000 2 811 74 74 SER HB3 H 3.928 0.000 2 812 74 74 SER C C 174.717 0.000 1 813 74 74 SER CA C 59.582 0.000 1 814 74 74 SER CB C 63.746 0.004 1 815 74 74 SER N N 112.626 0.000 1 816 75 75 ARG H H 7.208 0.000 1 817 75 75 ARG HA H 4.147 0.000 1 818 75 75 ARG HB2 H 1.828 0.000 2 819 75 75 ARG HB3 H 1.893 0.000 2 820 75 75 ARG HG2 H 1.628 0.000 2 821 75 75 ARG HG3 H 1.842 0.000 2 822 75 75 ARG HD2 H 3.149 0.000 2 823 75 75 ARG HD3 H 3.197 0.000 2 824 75 75 ARG HE H 7.215 0.000 1 825 75 75 ARG CA C 57.775 0.000 1 826 75 75 ARG CB C 30.666 0.002 1 827 75 75 ARG CG C 27.346 0.001 1 828 75 75 ARG CD C 43.945 0.003 1 829 75 75 ARG CZ C 159.747 0.000 1 830 75 75 ARG N N 122.130 0.000 1 831 75 75 ARG NE N 84.395 0.000 1 832 76 76 GLN H H 8.327 0.000 1 833 76 76 GLN HA H 4.284 0.000 1 834 76 76 GLN HB2 H 1.975 0.000 2 835 76 76 GLN HB3 H 2.067 0.000 2 836 76 76 GLN HG2 H 2.335 0.000 2 837 76 76 GLN HG3 H 2.379 0.000 2 838 76 76 GLN HE21 H 7.457 0.000 2 839 76 76 GLN HE22 H 6.708 0.000 2 840 76 76 GLN CA C 56.193 0.000 1 841 76 76 GLN CB C 29.057 0.003 1 842 76 76 GLN CG C 33.954 0.004 1 843 76 76 GLN N N 121.749 0.000 1 844 76 76 GLN NE2 N 111.238 0.007 1 845 77 77 LEU H H 8.264 0.000 1 846 77 77 LEU HA H 4.439 0.000 1 847 77 77 LEU HB2 H 1.634 0.000 2 848 77 77 LEU HB3 H 1.747 0.000 2 849 77 77 LEU HG H 1.704 0.000 1 850 77 77 LEU HD1 H 0.856 0.000 . 851 77 77 LEU HD2 H 0.898 0.000 . 852 77 77 LEU C C 177.670 0.000 1 853 77 77 LEU CA C 55.283 0.000 1 854 77 77 LEU CB C 42.780 0.007 1 855 77 77 LEU CG C 27.072 0.000 1 856 77 77 LEU CD1 C 23.573 0.000 2 857 77 77 LEU CD2 C 25.516 0.000 2 858 77 77 LEU N N 124.093 0.000 1 859 78 78 LYS H H 8.433 0.000 1 860 78 78 LYS HA H 4.407 0.000 1 861 78 78 LYS HB2 H 1.844 0.000 2 862 78 78 LYS HB3 H 1.953 0.000 2 863 78 78 LYS HG2 H 1.475 0.000 2 864 78 78 LYS HG3 H 1.521 0.000 2 865 78 78 LYS HD2 H 1.725 0.000 2 866 78 78 LYS HD3 H 1.725 0.000 2 867 78 78 LYS HE2 H 3.025 0.000 2 868 78 78 LYS HE3 H 3.025 0.000 2 869 78 78 LYS CA C 56.185 0.000 1 870 78 78 LYS CB C 33.277 0.003 1 871 78 78 LYS CG C 24.951 0.004 1 872 78 78 LYS CD C 29.039 0.000 1 873 78 78 LYS CE C 42.156 0.000 1 874 78 78 LYS N N 121.053 0.000 1 875 79 79 SER H H 8.448 0.000 1 876 79 79 SER HA H 4.321 0.000 1 877 79 79 SER HB2 H 3.908 0.000 2 878 79 79 SER HB3 H 3.908 0.000 2 879 79 79 SER C C 175.145 0.000 1 880 79 79 SER CA C 59.795 0.000 1 881 79 79 SER CB C 63.226 0.000 1 882 79 79 SER N N 116.423 0.000 1 883 80 80 ASN H H 8.513 0.000 1 884 80 80 ASN HA H 4.699 0.000 1 885 80 80 ASN HB2 H 2.837 0.000 2 886 80 80 ASN HB3 H 2.837 0.000 2 887 80 80 ASN HD21 H 7.659 0.003 2 888 80 80 ASN HD22 H 6.929 0.000 2 889 80 80 ASN C C 175.726 0.000 1 890 80 80 ASN CA C 54.413 0.000 1 891 80 80 ASN CB C 38.588 0.000 1 892 80 80 ASN CG C 177.052 0.013 1 893 80 80 ASN N N 119.581 0.000 1 894 80 80 ASN ND2 N 112.928 0.009 1 895 81 81 ASP H H 7.957 0.000 1 896 81 81 ASP HA H 4.630 0.000 1 897 81 81 ASP HB2 H 2.729 0.000 2 898 81 81 ASP HB3 H 2.729 0.000 2 899 81 81 ASP C C 177.281 0.000 1 900 81 81 ASP CA C 55.593 0.000 1 901 81 81 ASP CB C 41.606 0.000 1 902 81 81 ASP N N 120.378 0.000 1 903 82 82 SER H H 8.469 0.000 1 904 82 82 SER HA H 4.194 0.000 1 905 82 82 SER HB2 H 3.961 0.000 2 906 82 82 SER HB3 H 3.961 0.000 2 907 82 82 SER C C 176.745 0.000 1 908 82 82 SER CA C 61.376 0.000 1 909 82 82 SER CB C 62.896 0.000 1 910 82 82 SER N N 117.046 0.000 1 911 83 83 GLU H H 8.357 0.000 1 912 83 83 GLU HA H 4.100 0.000 1 913 83 83 GLU HB2 H 2.125 0.000 2 914 83 83 GLU HB3 H 2.125 0.000 2 915 83 83 GLU HG2 H 2.261 0.000 2 916 83 83 GLU HG3 H 2.361 0.000 2 917 83 83 GLU C C 178.740 0.000 1 918 83 83 GLU CA C 59.465 0.000 1 919 83 83 GLU CB C 29.404 0.000 1 920 83 83 GLU CG C 36.563 0.002 1 921 83 83 GLU N N 122.405 0.000 1 922 84 84 GLN H H 7.988 0.000 1 923 84 84 GLN HA H 4.109 0.000 1 924 84 84 GLN HB2 H 2.152 0.000 2 925 84 84 GLN HB3 H 2.152 0.000 2 926 84 84 GLN HG2 H 2.489 0.000 2 927 84 84 GLN HG3 H 2.489 0.000 2 928 84 84 GLN HE21 H 7.698 0.004 2 929 84 84 GLN HE22 H 6.816 0.002 2 930 84 84 GLN C C 178.533 0.000 1 931 84 84 GLN CA C 58.467 0.000 1 932 84 84 GLN CB C 28.421 0.000 1 933 84 84 GLN CG C 33.988 0.000 1 934 84 84 GLN CD C 179.638 0.007 1 935 84 84 GLN N N 118.604 0.000 1 936 84 84 GLN NE2 N 112.978 0.002 1 937 85 85 GLU H H 8.228 0.000 1 938 85 85 GLU HA H 3.942 0.000 1 939 85 85 GLU HB2 H 2.024 0.000 2 940 85 85 GLU HB3 H 2.170 0.000 2 941 85 85 GLU HG2 H 2.116 0.000 2 942 85 85 GLU HG3 H 2.418 0.000 2 943 85 85 GLU C C 178.250 0.000 1 944 85 85 GLU CA C 60.124 0.000 1 945 85 85 GLU CB C 29.572 0.011 1 946 85 85 GLU CG C 37.385 0.005 1 947 85 85 GLU N N 119.418 0.000 1 948 86 86 LEU H H 7.797 0.000 1 949 86 86 LEU HA H 4.159 0.000 1 950 86 86 LEU HB2 H 1.873 0.000 2 951 86 86 LEU HB3 H 1.873 0.000 2 952 86 86 LEU HG H 1.798 0.000 1 953 86 86 LEU HD1 H 0.941 0.000 . 954 86 86 LEU HD2 H 0.999 0.000 . 955 86 86 LEU C C 178.534 0.000 1 956 86 86 LEU CA C 58.207 0.000 1 957 86 86 LEU CB C 41.626 0.000 1 958 86 86 LEU CG C 27.295 0.000 1 959 86 86 LEU CD1 C 25.109 0.000 2 960 86 86 LEU CD2 C 24.574 0.000 2 961 86 86 LEU N N 120.010 0.000 1 962 87 87 LEU H H 7.825 0.000 1 963 87 87 LEU HA H 4.104 0.000 1 964 87 87 LEU HB2 H 1.782 0.000 2 965 87 87 LEU HB3 H 1.782 0.000 2 966 87 87 LEU HG H 1.682 0.000 1 967 87 87 LEU HD1 H 0.908 0.000 . 968 87 87 LEU HD2 H 0.925 0.000 . 969 87 87 LEU C C 179.333 0.000 1 970 87 87 LEU CA C 58.243 0.000 1 971 87 87 LEU CB C 41.766 0.000 1 972 87 87 LEU CG C 27.249 0.000 1 973 87 87 LEU CD1 C 24.471 0.000 2 974 87 87 LEU CD2 C 24.128 0.000 2 975 87 87 LEU N N 119.111 0.000 1 976 88 88 GLU H H 8.265 0.000 1 977 88 88 GLU HA H 4.101 0.000 1 978 88 88 GLU HB2 H 2.124 0.000 2 979 88 88 GLU HB3 H 2.124 0.000 2 980 88 88 GLU HG2 H 2.321 0.000 2 981 88 88 GLU HG3 H 2.584 0.000 2 982 88 88 GLU C C 179.461 0.000 1 983 88 88 GLU CA C 59.016 0.000 1 984 88 88 GLU CB C 28.670 0.000 1 985 88 88 GLU CG C 35.959 0.004 1 986 88 88 GLU N N 117.514 0.000 1 987 89 89 ALA H H 8.192 0.000 1 988 89 89 ALA HA H 4.167 0.000 1 989 89 89 ALA HB H 1.739 0.000 . 990 89 89 ALA C C 178.362 0.000 1 991 89 89 ALA CA C 55.077 0.000 1 992 89 89 ALA CB C 17.983 0.000 1 993 89 89 ALA N N 120.734 0.000 1 994 90 90 PHE H H 8.685 0.000 1 995 90 90 PHE HA H 3.199 0.000 1 996 90 90 PHE HB2 H 2.876 0.000 2 997 90 90 PHE HB3 H 3.278 0.000 2 998 90 90 PHE HD1 H 6.686 0.000 3 999 90 90 PHE HD2 H 6.686 0.000 3 1000 90 90 PHE HE1 H 6.855 0.000 3 1001 90 90 PHE HE2 H 6.855 0.000 3 1002 90 90 PHE HZ H 7.115 0.000 1 1003 90 90 PHE C C 177.497 0.000 1 1004 90 90 PHE CA C 62.185 0.000 1 1005 90 90 PHE CB C 39.820 0.012 1 1006 90 90 PHE CD1 C 131.898 0.000 3 1007 90 90 PHE CE1 C 130.596 0.000 3 1008 90 90 PHE CZ C 129.567 0.000 1 1009 90 90 PHE N N 119.339 0.000 1 1010 91 91 LYS H H 8.112 0.000 1 1011 91 91 LYS HA H 3.948 0.000 1 1012 91 91 LYS HB2 H 1.977 0.000 2 1013 91 91 LYS HB3 H 1.977 0.000 2 1014 91 91 LYS HG2 H 1.600 0.000 2 1015 91 91 LYS HG3 H 1.865 0.000 2 1016 91 91 LYS HD2 H 1.730 0.000 2 1017 91 91 LYS HD3 H 1.730 0.000 2 1018 91 91 LYS HE2 H 2.962 0.000 2 1019 91 91 LYS HE3 H 2.962 0.000 2 1020 91 91 LYS C C 178.236 0.000 1 1021 91 91 LYS CA C 59.514 0.000 1 1022 91 91 LYS CB C 32.871 0.000 1 1023 91 91 LYS CG C 25.699 0.007 1 1024 91 91 LYS CD C 29.844 0.000 1 1025 91 91 LYS CE C 42.060 0.000 1 1026 91 91 LYS N N 116.189 0.000 1 1027 92 92 VAL H H 7.383 0.000 1 1028 92 92 VAL HA H 3.572 0.000 1 1029 92 92 VAL HB H 2.256 0.000 1 1030 92 92 VAL HG1 H 0.604 0.000 . 1031 92 92 VAL HG2 H 1.093 0.000 . 1032 92 92 VAL C C 176.545 0.000 1 1033 92 92 VAL CA C 65.572 0.000 1 1034 92 92 VAL CB C 31.426 0.000 1 1035 92 92 VAL CG1 C 21.535 0.000 2 1036 92 92 VAL CG2 C 22.778 0.000 2 1037 92 92 VAL N N 117.696 0.000 1 1038 93 93 PHE H H 7.116 0.000 1 1039 93 93 PHE HA H 4.227 0.000 1 1040 93 93 PHE HB2 H 2.558 0.000 2 1041 93 93 PHE HB3 H 2.624 0.000 2 1042 93 93 PHE HD1 H 7.380 0.000 3 1043 93 93 PHE HD2 H 7.380 0.000 3 1044 93 93 PHE HE1 H 7.234 0.000 3 1045 93 93 PHE HE2 H 7.234 0.000 3 1046 93 93 PHE HZ H 7.115 0.000 1 1047 93 93 PHE C C 176.417 0.000 1 1048 93 93 PHE CA C 59.600 0.000 1 1049 93 93 PHE CB C 41.196 0.004 1 1050 93 93 PHE CD2 C 132.454 0.000 3 1051 93 93 PHE CE2 C 130.354 0.000 3 1052 93 93 PHE CZ C 128.868 0.000 1 1053 93 93 PHE N N 114.826 0.000 1 1054 94 94 ASP H H 7.849 0.000 1 1055 94 94 ASP HA H 4.531 0.000 1 1056 94 94 ASP HB2 H 1.641 0.000 2 1057 94 94 ASP HB3 H 2.486 0.000 2 1058 94 94 ASP C C 177.305 0.000 1 1059 94 94 ASP CA C 52.471 0.000 1 1060 94 94 ASP CB C 38.841 0.011 1 1061 94 94 ASP N N 116.753 0.000 1 1062 95 95 LYS H H 7.755 0.000 1 1063 95 95 LYS HA H 4.003 0.000 1 1064 95 95 LYS HB2 H 1.850 0.000 2 1065 95 95 LYS HB3 H 1.850 0.000 2 1066 95 95 LYS HG2 H 1.513 0.000 2 1067 95 95 LYS HG3 H 1.513 0.000 2 1068 95 95 LYS HD2 H 1.636 0.000 2 1069 95 95 LYS HD3 H 1.636 0.000 2 1070 95 95 LYS HE2 H 2.860 0.000 2 1071 95 95 LYS HE3 H 2.948 0.000 2 1072 95 95 LYS C C 178.261 0.000 1 1073 95 95 LYS CA C 58.077 0.000 1 1074 95 95 LYS CB C 32.190 0.000 1 1075 95 95 LYS CG C 23.900 0.000 1 1076 95 95 LYS CD C 27.893 0.000 1 1077 95 95 LYS CE C 41.908 0.005 1 1078 95 95 LYS N N 125.185 0.000 1 1079 96 96 ASN H H 8.069 0.000 1 1080 96 96 ASN HA H 4.785 0.000 1 1081 96 96 ASN HB2 H 2.870 0.000 2 1082 96 96 ASN HB3 H 3.304 0.000 2 1083 96 96 ASN HD21 H 7.947 0.001 2 1084 96 96 ASN HD22 H 6.618 0.005 2 1085 96 96 ASN C C 176.469 0.000 1 1086 96 96 ASN CA C 51.862 0.000 1 1087 96 96 ASN CB C 37.078 0.005 1 1088 96 96 ASN CG C 177.997 0.033 1 1089 96 96 ASN N N 112.542 0.000 1 1090 96 96 ASN ND2 N 112.957 0.003 1 1091 97 97 GLY H H 7.686 0.000 1 1092 97 97 GLY HA2 H 3.862 0.000 2 1093 97 97 GLY HA3 H 3.862 0.000 2 1094 97 97 GLY C C 175.032 0.000 1 1095 97 97 GLY CA C 47.708 0.000 1 1096 97 97 GLY N N 109.956 0.000 1 1097 98 98 ASP H H 8.249 0.000 1 1098 98 98 ASP HA H 4.553 0.000 1 1099 98 98 ASP HB2 H 2.416 0.000 2 1100 98 98 ASP HB3 H 3.102 0.000 2 1101 98 98 ASP C C 177.274 0.000 1 1102 98 98 ASP CA C 53.334 0.000 1 1103 98 98 ASP CB C 40.441 0.001 1 1104 98 98 ASP N N 119.383 0.000 1 1105 99 99 GLY H H 10.390 0.000 1 1106 99 99 GLY HA2 H 3.651 0.000 . 1107 99 99 GLY HA3 H 4.245 0.000 2 1108 99 99 GLY C C 173.128 0.000 1 1109 99 99 GLY CA C 45.729 0.006 1 1110 99 99 GLY N N 112.398 0.000 1 1111 100 100 LEU H H 7.987 0.000 1 1112 100 100 LEU HA H 5.265 0.000 1 1113 100 100 LEU HB2 H 1.047 0.000 2 1114 100 100 LEU HB3 H 1.652 0.000 2 1115 100 100 LEU HG H 1.392 0.000 1 1116 100 100 LEU HD1 H 0.763 0.000 . 1117 100 100 LEU HD2 H 0.798 0.000 . 1118 100 100 LEU C C 176.427 0.000 1 1119 100 100 LEU CA C 52.776 0.000 1 1120 100 100 LEU CB C 46.201 0.005 1 1121 100 100 LEU CG C 26.516 0.000 1 1122 100 100 LEU CD1 C 25.465 0.000 2 1123 100 100 LEU CD2 C 23.349 0.000 2 1124 100 100 LEU N N 120.803 0.000 1 1125 101 101 ILE H H 9.698 0.000 1 1126 101 101 ILE HA H 4.722 0.000 1 1127 101 101 ILE HB H 1.505 0.000 1 1128 101 101 ILE HG12 H 0.003 0.000 2 1129 101 101 ILE HG13 H 0.773 0.000 2 1130 101 101 ILE HG2 H 0.812 0.000 . 1131 101 101 ILE HD1 H -0.157 0.000 . 1132 101 101 ILE C C 175.432 0.000 1 1133 101 101 ILE CA C 60.249 0.000 1 1134 101 101 ILE CB C 39.064 0.000 1 1135 101 101 ILE CG1 C 26.844 0.006 1 1136 101 101 ILE CG2 C 18.062 0.000 1 1137 101 101 ILE CD1 C 16.065 0.000 1 1138 101 101 ILE N N 125.286 0.000 1 1139 102 102 SER H H 9.095 0.000 1 1140 102 102 SER HA H 4.969 0.000 1 1141 102 102 SER HB2 H 4.031 0.000 2 1142 102 102 SER HB3 H 4.425 0.000 2 1143 102 102 SER HG H 5.794 0.000 1 1144 102 102 SER C C 175.298 0.000 1 1145 102 102 SER CA C 55.994 0.000 1 1146 102 102 SER CB C 66.456 0.004 1 1147 102 102 SER N N 123.133 0.000 1 1148 103 103 ALA H H 8.691 0.000 1 1149 103 103 ALA HA H 3.889 0.000 1 1150 103 103 ALA HB H 1.479 0.000 . 1151 103 103 ALA C C 179.237 0.000 1 1152 103 103 ALA CA C 56.082 0.000 1 1153 103 103 ALA CB C 18.057 0.000 1 1154 103 103 ALA N N 122.886 0.000 1 1155 104 104 ALA H H 8.392 0.000 1 1156 104 104 ALA HA H 4.074 0.000 1 1157 104 104 ALA HB H 1.433 0.000 . 1158 104 104 ALA C C 181.451 0.000 1 1159 104 104 ALA CA C 55.285 0.000 1 1160 104 104 ALA CB C 18.435 0.000 1 1161 104 104 ALA N N 118.317 0.000 1 1162 105 105 GLU H H 7.879 0.000 1 1163 105 105 GLU HA H 4.060 0.000 1 1164 105 105 GLU HB2 H 2.546 0.000 2 1165 105 105 GLU HB3 H 2.687 0.000 2 1166 105 105 GLU HG2 H 2.315 0.000 2 1167 105 105 GLU HG3 H 2.552 0.000 2 1168 105 105 GLU C C 179.223 0.000 1 1169 105 105 GLU CA C 59.463 0.000 1 1170 105 105 GLU CB C 29.151 0.004 1 1171 105 105 GLU CG C 37.841 0.002 1 1172 105 105 GLU N N 120.398 0.000 1 1173 106 106 LEU H H 8.479 0.000 1 1174 106 106 LEU HA H 4.163 0.000 1 1175 106 106 LEU HB2 H 1.504 0.000 2 1176 106 106 LEU HB3 H 1.901 0.000 2 1177 106 106 LEU HG H 1.593 0.000 1 1178 106 106 LEU HD1 H 0.748 0.000 . 1179 106 106 LEU HD2 H 0.798 0.000 . 1180 106 106 LEU C C 178.503 0.000 1 1181 106 106 LEU CA C 58.689 0.000 1 1182 106 106 LEU CB C 42.287 0.003 1 1183 106 106 LEU CG C 26.897 0.000 1 1184 106 106 LEU CD1 C 24.029 0.000 2 1185 106 106 LEU CD2 C 26.160 0.000 2 1186 106 106 LEU N N 120.023 0.000 1 1187 107 107 LYS H H 8.758 0.000 1 1188 107 107 LYS HA H 3.818 0.000 1 1189 107 107 LYS HB2 H 1.936 0.000 2 1190 107 107 LYS HB3 H 2.007 0.000 2 1191 107 107 LYS HG2 H 1.440 0.000 2 1192 107 107 LYS HG3 H 1.470 0.000 2 1193 107 107 LYS HD2 H 1.676 0.000 2 1194 107 107 LYS HD3 H 1.676 0.000 2 1195 107 107 LYS HE2 H 2.882 0.000 2 1196 107 107 LYS HE3 H 2.882 0.000 2 1197 107 107 LYS C C 179.039 0.000 1 1198 107 107 LYS CA C 60.308 0.000 1 1199 107 107 LYS CB C 32.890 0.003 1 1200 107 107 LYS CG C 26.264 0.001 1 1201 107 107 LYS CD C 29.565 0.000 1 1202 107 107 LYS CE C 42.284 0.000 1 1203 107 107 LYS N N 117.064 0.000 1 1204 108 108 HIS H H 8.287 0.000 1 1205 108 108 HIS HA H 4.316 0.000 1 1206 108 108 HIS HB2 H 3.322 0.000 2 1207 108 108 HIS HB3 H 3.322 0.000 2 1208 108 108 HIS HD2 H 6.906 0.000 1 1209 108 108 HIS HE1 H 7.851 0.000 1 1210 108 108 HIS C C 178.394 0.000 1 1211 108 108 HIS CA C 60.187 0.000 1 1212 108 108 HIS CB C 30.492 0.000 1 1213 108 108 HIS CD2 C 120.029 0.000 1 1214 108 108 HIS CE1 C 138.723 0.000 1 1215 108 108 HIS N N 119.125 0.000 1 1216 109 109 VAL H H 7.915 0.000 1 1217 109 109 VAL HA H 3.485 0.000 1 1218 109 109 VAL HB H 1.943 0.000 1 1219 109 109 VAL HG1 H 0.261 0.000 . 1220 109 109 VAL HG2 H 0.947 0.000 . 1221 109 109 VAL C C 178.246 0.000 1 1222 109 109 VAL CA C 66.710 0.000 1 1223 109 109 VAL CB C 31.572 0.000 1 1224 109 109 VAL CG1 C 21.021 0.000 2 1225 109 109 VAL CG2 C 23.370 0.000 2 1226 109 109 VAL N N 119.525 0.000 1 1227 110 110 LEU H H 8.269 0.000 1 1228 110 110 LEU HA H 3.979 0.000 1 1229 110 110 LEU HB2 H 1.416 0.000 2 1230 110 110 LEU HB3 H 1.974 0.000 2 1231 110 110 LEU HG H 2.058 0.000 1 1232 110 110 LEU HD1 H 0.856 0.000 . 1233 110 110 LEU HD2 H 0.843 0.000 . 1234 110 110 LEU C C 178.968 0.000 1 1235 110 110 LEU CA C 58.218 0.000 1 1236 110 110 LEU CB C 40.528 0.005 1 1237 110 110 LEU CG C 27.430 0.000 1 1238 110 110 LEU CD1 C 22.889 0.000 2 1239 110 110 LEU CD2 C 26.446 0.000 2 1240 110 110 LEU N N 117.403 0.000 1 1241 111 111 THR H H 8.441 0.000 1 1242 111 111 THR HA H 4.184 0.000 1 1243 111 111 THR HB H 4.277 0.000 1 1244 111 111 THR HG1 H 5.176 0.000 1 1245 111 111 THR HG2 H 1.282 0.000 . 1246 111 111 THR C C 178.534 0.000 1 1247 111 111 THR CA C 66.252 0.000 1 1248 111 111 THR CB C 68.851 0.000 1 1249 111 111 THR CG2 C 21.670 0.000 1 1250 111 111 THR N N 114.122 0.000 1 1251 112 112 SER H H 7.910 0.000 1 1252 112 112 SER HA H 4.215 0.000 1 1253 112 112 SER HB2 H 3.815 0.000 2 1254 112 112 SER HB3 H 4.002 0.000 2 1255 112 112 SER C C 175.523 0.000 1 1256 112 112 SER CA C 62.197 0.000 1 1257 112 112 SER CB C 62.936 0.001 1 1258 112 112 SER N N 119.981 0.000 1 1259 113 113 ILE H H 7.473 0.000 1 1260 113 113 ILE HA H 4.484 0.000 1 1261 113 113 ILE HB H 2.176 0.000 1 1262 113 113 ILE HG12 H 1.484 0.000 2 1263 113 113 ILE HG13 H 1.579 0.000 2 1264 113 113 ILE HG2 H 0.814 0.000 . 1265 113 113 ILE HD1 H 0.779 0.000 . 1266 113 113 ILE C C 175.636 0.000 1 1267 113 113 ILE CA C 60.755 0.000 1 1268 113 113 ILE CB C 37.757 0.000 1 1269 113 113 ILE CG1 C 26.748 0.003 1 1270 113 113 ILE CG2 C 17.282 0.000 1 1271 113 113 ILE CD1 C 14.495 0.000 1 1272 113 113 ILE N N 112.726 0.000 1 1273 114 114 GLY H H 7.652 0.000 1 1274 114 114 GLY HA2 H 3.705 0.000 . 1275 114 114 GLY HA3 H 4.225 0.000 2 1276 114 114 GLY C C 174.583 0.000 1 1277 114 114 GLY CA C 45.850 0.004 1 1278 114 114 GLY N N 108.354 0.000 1 1279 115 115 GLU H H 8.045 0.000 1 1280 115 115 GLU HA H 4.305 0.000 1 1281 115 115 GLU HB2 H 1.644 0.000 2 1282 115 115 GLU HB3 H 1.926 0.000 2 1283 115 115 GLU HG2 H 2.018 0.000 2 1284 115 115 GLU HG3 H 2.018 0.000 2 1285 115 115 GLU C C 175.444 0.000 1 1286 115 115 GLU CA C 55.132 0.000 1 1287 115 115 GLU CB C 30.250 0.001 1 1288 115 115 GLU CG C 36.265 0.000 1 1289 115 115 GLU N N 120.283 0.000 1 1290 116 116 LYS H H 8.571 0.000 1 1291 116 116 LYS HA H 4.422 0.000 1 1292 116 116 LYS HB2 H 1.677 0.000 2 1293 116 116 LYS HB3 H 1.771 0.000 2 1294 116 116 LYS HG2 H 1.300 0.000 2 1295 116 116 LYS HG3 H 1.380 0.000 2 1296 116 116 LYS HD2 H 1.652 0.000 2 1297 116 116 LYS HD3 H 1.652 0.000 2 1298 116 116 LYS HE2 H 2.968 0.000 2 1299 116 116 LYS HE3 H 2.968 0.000 2 1300 116 116 LYS C C 175.287 0.000 1 1301 116 116 LYS CA C 55.635 0.000 1 1302 116 116 LYS CB C 32.142 0.006 1 1303 116 116 LYS CG C 24.572 0.001 1 1304 116 116 LYS CD C 29.131 0.000 1 1305 116 116 LYS CE C 42.119 0.000 1 1306 116 116 LYS N N 124.370 0.000 1 1307 117 117 LEU H H 8.042 0.000 1 1308 117 117 LEU HA H 4.784 0.000 1 1309 117 117 LEU HB2 H 1.461 0.000 2 1310 117 117 LEU HB3 H 1.600 0.000 2 1311 117 117 LEU HG H 1.588 0.000 1 1312 117 117 LEU HD1 H 0.788 0.000 . 1313 117 117 LEU HD2 H 0.803 0.000 . 1314 117 117 LEU C C 177.161 0.000 1 1315 117 117 LEU CA C 54.233 0.000 1 1316 117 117 LEU CB C 44.998 0.003 1 1317 117 117 LEU CG C 27.894 0.000 1 1318 117 117 LEU CD1 C 26.811 0.000 2 1319 117 117 LEU CD2 C 24.859 0.000 2 1320 117 117 LEU N N 125.492 0.000 1 1321 118 118 THR H H 8.995 0.000 1 1322 118 118 THR HA H 4.497 0.000 1 1323 118 118 THR HB H 4.678 0.000 1 1324 118 118 THR HG2 H 1.312 0.000 . 1325 118 118 THR C C 175.335 0.000 1 1326 118 118 THR CA C 60.434 0.000 1 1327 118 118 THR CB C 71.193 0.000 1 1328 118 118 THR CG2 C 21.844 0.000 1 1329 118 118 THR N N 113.255 0.000 1 1330 119 119 ASP H H 8.743 0.000 1 1331 119 119 ASP HA H 4.232 0.000 1 1332 119 119 ASP HB2 H 2.592 0.000 2 1333 119 119 ASP HB3 H 2.744 0.000 2 1334 119 119 ASP C C 178.422 0.000 1 1335 119 119 ASP CA C 58.097 0.000 1 1336 119 119 ASP CB C 39.975 0.004 1 1337 119 119 ASP N N 120.837 0.000 1 1338 120 120 ALA H H 8.304 0.000 1 1339 120 120 ALA HA H 4.166 0.000 1 1340 120 120 ALA HB H 1.413 0.000 . 1341 120 120 ALA C C 179.796 0.000 1 1342 120 120 ALA CA C 55.028 0.000 1 1343 120 120 ALA CB C 18.320 0.000 1 1344 120 120 ALA N N 121.309 0.000 1 1345 121 121 GLU H H 7.705 0.000 1 1346 121 121 GLU HA H 4.057 0.000 1 1347 121 121 GLU HB2 H 1.886 0.000 2 1348 121 121 GLU HB3 H 2.380 0.000 2 1349 121 121 GLU HG2 H 2.297 0.000 2 1350 121 121 GLU HG3 H 2.379 0.000 2 1351 121 121 GLU C C 180.035 0.000 1 1352 121 121 GLU CA C 59.238 0.000 1 1353 121 121 GLU CB C 30.429 0.005 1 1354 121 121 GLU CG C 37.803 0.000 1 1355 121 121 GLU N N 118.068 0.000 1 1356 122 122 VAL H H 7.935 0.000 1 1357 122 122 VAL HA H 3.537 0.000 1 1358 122 122 VAL HB H 2.234 0.000 1 1359 122 122 VAL HG1 H 0.974 0.000 . 1360 122 122 VAL HG2 H 1.012 0.000 . 1361 122 122 VAL C C 177.120 0.000 1 1362 122 122 VAL CA C 67.042 0.000 1 1363 122 122 VAL CB C 31.392 0.000 1 1364 122 122 VAL CG1 C 23.823 0.000 2 1365 122 122 VAL CG2 C 22.295 0.000 2 1366 122 122 VAL N N 120.636 0.000 1 1367 123 123 ASP H H 8.204 0.000 1 1368 123 123 ASP HA H 4.303 0.000 1 1369 123 123 ASP HB2 H 2.631 0.000 2 1370 123 123 ASP HB3 H 2.735 0.000 2 1371 123 123 ASP C C 179.023 0.000 1 1372 123 123 ASP CA C 57.943 0.000 1 1373 123 123 ASP CB C 40.671 0.002 1 1374 123 123 ASP N N 120.336 0.000 1 1375 124 124 ASP H H 8.272 0.000 1 1376 124 124 ASP HA H 4.340 0.000 1 1377 124 124 ASP HB2 H 2.634 0.000 2 1378 124 124 ASP HB3 H 2.785 0.000 2 1379 124 124 ASP C C 178.527 0.000 1 1380 124 124 ASP CA C 57.523 0.000 1 1381 124 124 ASP CB C 40.820 0.002 1 1382 124 124 ASP N N 118.890 0.000 1 1383 125 125 MET H H 7.750 0.000 1 1384 125 125 MET HA H 4.091 0.000 1 1385 125 125 MET HB2 H 2.086 0.000 2 1386 125 125 MET HB3 H 2.235 0.000 2 1387 125 125 MET HG2 H 2.399 0.000 2 1388 125 125 MET HG3 H 2.609 0.000 2 1389 125 125 MET HE H 1.895 0.000 . 1390 125 125 MET C C 178.021 0.000 1 1391 125 125 MET CA C 59.205 0.000 1 1392 125 125 MET CB C 33.281 0.002 1 1393 125 125 MET CG C 32.022 0.000 1 1394 125 125 MET CE C 16.844 0.000 1 1395 125 125 MET N N 119.365 0.000 1 1396 126 126 LEU H H 8.152 0.000 1 1397 126 126 LEU HA H 3.924 0.000 1 1398 126 126 LEU HB2 H 1.448 0.000 2 1399 126 126 LEU HB3 H 1.868 0.000 2 1400 126 126 LEU HG H 1.723 0.000 1 1401 126 126 LEU HD1 H 0.731 0.000 . 1402 126 126 LEU HD2 H 0.815 0.000 . 1403 126 126 LEU C C 180.267 0.000 1 1404 126 126 LEU CA C 57.802 0.000 1 1405 126 126 LEU CB C 41.614 0.000 1 1406 126 126 LEU CG C 27.253 0.000 1 1407 126 126 LEU CD1 C 23.853 0.000 2 1408 126 126 LEU CD2 C 25.269 0.000 2 1409 126 126 LEU N N 117.193 0.000 1 1410 127 127 ARG H H 8.335 0.000 1 1411 127 127 ARG HA H 4.041 0.000 1 1412 127 127 ARG HB2 H 1.925 0.000 2 1413 127 127 ARG HB3 H 1.969 0.000 2 1414 127 127 ARG HG2 H 1.574 0.000 2 1415 127 127 ARG HG3 H 1.756 0.000 2 1416 127 127 ARG HD2 H 3.192 0.000 2 1417 127 127 ARG HD3 H 3.225 0.000 2 1418 127 127 ARG HE H 7.427 0.000 1 1419 127 127 ARG C C 178.027 0.000 1 1420 127 127 ARG CA C 59.281 0.000 1 1421 127 127 ARG CB C 29.999 0.003 1 1422 127 127 ARG CG C 28.423 0.001 1 1423 127 127 ARG CD C 43.127 0.002 1 1424 127 127 ARG CZ C 175.503 0.000 1 1425 127 127 ARG N N 120.792 0.000 1 1426 127 127 ARG NE N 84.569 0.000 1 1427 128 128 GLU H H 7.667 0.000 1 1428 128 128 GLU HA H 4.106 0.000 1 1429 128 128 GLU HB2 H 2.128 0.000 2 1430 128 128 GLU HB3 H 2.232 0.000 2 1431 128 128 GLU HG2 H 2.244 0.000 2 1432 128 128 GLU HG3 H 2.527 0.000 2 1433 128 128 GLU C C 178.618 0.000 1 1434 128 128 GLU CA C 59.205 0.000 1 1435 128 128 GLU CB C 30.394 0.000 1 1436 128 128 GLU CG C 36.544 0.000 1 1437 128 128 GLU N N 117.142 0.000 1 1438 129 129 VAL H H 7.470 0.000 1 1439 129 129 VAL HA H 4.487 0.000 1 1440 129 129 VAL HB H 2.443 0.000 1 1441 129 129 VAL HG1 H 0.899 0.000 . 1442 129 129 VAL HG2 H 0.965 0.000 . 1443 129 129 VAL C C 175.591 0.000 1 1444 129 129 VAL CA C 61.663 0.000 1 1445 129 129 VAL CB C 33.009 0.000 1 1446 129 129 VAL CG1 C 21.680 0.000 2 1447 129 129 VAL CG2 C 19.731 0.000 2 1448 129 129 VAL N N 108.345 0.000 1 1449 130 130 SER H H 7.858 0.000 1 1450 130 130 SER HA H 4.670 0.000 1 1451 130 130 SER HB2 H 3.623 0.000 2 1452 130 130 SER HB3 H 4.274 0.000 2 1453 130 130 SER HG H 5.249 0.000 1 1454 130 130 SER C C 174.414 0.000 1 1455 130 130 SER CA C 58.067 0.000 1 1456 130 130 SER CB C 65.814 0.003 1 1457 130 130 SER N N 115.012 0.000 1 1458 131 131 ASP H H 8.478 0.000 1 1459 131 131 ASP HA H 4.566 0.000 1 1460 131 131 ASP HB2 H 2.811 0.000 2 1461 131 131 ASP HB3 H 2.907 0.000 2 1462 131 131 ASP C C 176.676 0.000 1 1463 131 131 ASP CA C 54.783 0.000 1 1464 131 131 ASP CB C 40.255 0.002 1 1465 131 131 ASP N N 120.972 0.000 1 1466 132 132 GLY H H 8.352 0.000 1 1467 132 132 GLY HA2 H 3.665 0.000 . 1468 132 132 GLY HA3 H 4.288 0.000 2 1469 132 132 GLY C C 174.924 0.000 1 1470 132 132 GLY CA C 45.670 0.007 1 1471 132 132 GLY N N 105.512 0.000 1 1472 133 133 SER H H 8.104 0.000 1 1473 133 133 SER HA H 4.435 0.000 1 1474 133 133 SER HB2 H 4.052 0.000 2 1475 133 133 SER HB3 H 4.080 0.000 2 1476 133 133 SER C C 175.404 0.000 1 1477 133 133 SER CA C 59.340 0.000 1 1478 133 133 SER CB C 64.064 0.001 1 1479 133 133 SER N N 116.718 0.000 1 1480 134 134 GLY H H 8.555 0.000 1 1481 134 134 GLY HA2 H 3.740 0.000 . 1482 134 134 GLY HA3 H 4.060 0.000 2 1483 134 134 GLY C C 172.547 0.000 1 1484 134 134 GLY CA C 45.823 0.000 1 1485 134 134 GLY N N 109.601 0.000 1 1486 135 135 GLU H H 7.641 0.000 1 1487 135 135 GLU HA H 5.027 0.000 1 1488 135 135 GLU HB2 H 1.762 0.000 2 1489 135 135 GLU HB3 H 1.921 0.000 2 1490 135 135 GLU HG2 H 2.072 0.000 2 1491 135 135 GLU HG3 H 2.118 0.000 2 1492 135 135 GLU C C 175.280 0.000 1 1493 135 135 GLU CA C 54.735 0.000 1 1494 135 135 GLU CB C 32.874 0.001 1 1495 135 135 GLU CG C 35.556 0.002 1 1496 135 135 GLU N N 117.166 0.000 1 1497 136 136 ILE H H 8.565 0.000 1 1498 136 136 ILE HA H 5.076 0.000 1 1499 136 136 ILE HB H 2.095 0.000 1 1500 136 136 ILE HG12 H 1.095 0.000 2 1501 136 136 ILE HG13 H 1.715 0.000 2 1502 136 136 ILE HG2 H 0.892 0.000 . 1503 136 136 ILE HD1 H 0.793 0.000 . 1504 136 136 ILE C C 175.228 0.000 1 1505 136 136 ILE CA C 59.398 0.000 1 1506 136 136 ILE CB C 41.652 0.000 1 1507 136 136 ILE CG1 C 25.910 0.003 1 1508 136 136 ILE CG2 C 18.853 0.000 1 1509 136 136 ILE CD1 C 14.063 0.000 1 1510 136 136 ILE N N 114.256 0.000 1 1511 137 137 ASN H H 8.767 0.000 1 1512 137 137 ASN HA H 5.265 0.000 1 1513 137 137 ASN HB2 H 2.789 0.000 2 1514 137 137 ASN HB3 H 3.456 0.000 2 1515 137 137 ASN HD21 H 7.464 0.000 2 1516 137 137 ASN HD22 H 7.011 0.000 2 1517 137 137 ASN C C 176.835 0.000 1 1518 137 137 ASN CA C 51.027 0.000 1 1519 137 137 ASN CB C 39.713 0.004 1 1520 137 137 ASN CG C 175.704 0.034 1 1521 137 137 ASN N N 121.842 0.000 1 1522 137 137 ASN ND2 N 111.302 0.012 1 1523 138 138 ILE H H 8.418 0.000 1 1524 138 138 ILE HA H 3.752 0.000 1 1525 138 138 ILE HB H 0.668 0.000 1 1526 138 138 ILE HG12 H 0.952 0.000 2 1527 138 138 ILE HG13 H 1.048 0.000 2 1528 138 138 ILE HG2 H 0.708 0.000 . 1529 138 138 ILE HD1 H 0.610 0.000 . 1530 138 138 ILE CA C 64.772 0.000 1 1531 138 138 ILE CB C 37.553 0.000 1 1532 138 138 ILE CG1 C 29.599 0.006 1 1533 138 138 ILE CG2 C 16.528 0.000 1 1534 138 138 ILE CD1 C 14.662 0.000 1 1535 138 138 ILE N N 118.075 0.000 1 1536 139 139 GLN H H 7.632 0.000 1 1537 139 139 GLN HA H 4.126 0.000 1 1538 139 139 GLN HB2 H 2.088 0.000 2 1539 139 139 GLN HB3 H 2.204 0.000 2 1540 139 139 GLN HG2 H 2.401 0.000 2 1541 139 139 GLN HG3 H 2.445 0.000 2 1542 139 139 GLN HE21 H 7.490 0.001 2 1543 139 139 GLN HE22 H 6.784 0.000 2 1544 139 139 GLN C C 179.886 0.000 1 1545 139 139 GLN CA C 59.586 0.000 1 1546 139 139 GLN CB C 27.785 0.002 1 1547 139 139 GLN CG C 34.531 0.005 1 1548 139 139 GLN CD C 180.305 0.003 1 1549 139 139 GLN N N 122.926 0.000 1 1550 139 139 GLN NE2 N 112.053 0.001 1 1551 140 140 GLN H H 8.416 0.000 1 1552 140 140 GLN HA H 4.161 0.000 1 1553 140 140 GLN HB2 H 1.886 0.000 2 1554 140 140 GLN HB3 H 2.488 0.000 2 1555 140 140 GLN HG2 H 2.639 0.000 2 1556 140 140 GLN HG3 H 2.691 0.000 2 1557 140 140 GLN HE21 H 7.559 0.000 2 1558 140 140 GLN HE22 H 6.707 0.002 2 1559 140 140 GLN C C 178.284 0.000 1 1560 140 140 GLN CA C 58.216 0.000 1 1561 140 140 GLN CB C 28.438 0.007 1 1562 140 140 GLN CG C 34.329 0.001 1 1563 140 140 GLN CD C 179.654 0.002 1 1564 140 140 GLN N N 121.813 0.000 1 1565 140 140 GLN NE2 N 110.156 0.002 1 1566 141 141 PHE H H 9.030 0.000 1 1567 141 141 PHE HA H 4.152 0.000 1 1568 141 141 PHE HB2 H 3.207 0.000 2 1569 141 141 PHE HB3 H 3.482 0.000 2 1570 141 141 PHE HD1 H 7.042 0.000 3 1571 141 141 PHE HD2 H 7.042 0.000 3 1572 141 141 PHE HE1 H 6.874 0.000 3 1573 141 141 PHE HE2 H 6.874 0.000 3 1574 141 141 PHE HZ H 6.798 0.000 1 1575 141 141 PHE C C 176.273 0.000 1 1576 141 141 PHE CA C 60.960 0.000 1 1577 141 141 PHE CB C 40.061 0.006 1 1578 141 141 PHE CD2 C 131.836 0.000 3 1579 141 141 PHE CE2 C 130.634 0.000 3 1580 141 141 PHE CZ C 129.162 0.000 1 1581 141 141 PHE N N 121.732 0.000 1 1582 142 142 ALA H H 8.399 0.000 1 1583 142 142 ALA HA H 3.803 0.000 1 1584 142 142 ALA HB H 1.547 0.000 . 1585 142 142 ALA C C 180.733 0.000 1 1586 142 142 ALA CA C 55.210 0.000 1 1587 142 142 ALA CB C 17.902 0.000 1 1588 142 142 ALA N N 119.852 0.000 1 1589 143 143 ALA H H 7.627 0.000 1 1590 143 143 ALA HA H 4.114 0.000 1 1591 143 143 ALA HB H 1.569 0.000 . 1592 143 143 ALA C C 180.455 0.000 1 1593 143 143 ALA CA C 55.013 0.000 1 1594 143 143 ALA CB C 17.849 0.000 1 1595 143 143 ALA N N 120.555 0.000 1 1596 144 144 LEU H H 8.029 0.000 1 1597 144 144 LEU HA H 3.933 0.000 1 1598 144 144 LEU HB2 H 1.616 0.000 2 1599 144 144 LEU HB3 H 1.910 0.000 2 1600 144 144 LEU HG H 1.516 0.000 1 1601 144 144 LEU HD1 H 0.685 0.000 . 1602 144 144 LEU HD2 H 0.801 0.000 . 1603 144 144 LEU C C 177.756 0.000 1 1604 144 144 LEU CA C 57.696 0.000 1 1605 144 144 LEU CB C 41.838 0.012 1 1606 144 144 LEU CG C 26.839 0.000 1 1607 144 144 LEU CD1 C 24.748 0.000 2 1608 144 144 LEU CD2 C 24.633 0.000 2 1609 144 144 LEU N N 121.054 0.000 1 1610 145 145 LEU H H 7.309 0.000 1 1611 145 145 LEU HA H 3.973 0.000 1 1612 145 145 LEU HB2 H 1.451 0.000 2 1613 145 145 LEU HB3 H 1.451 0.000 2 1614 145 145 LEU HG H 1.266 0.000 1 1615 145 145 LEU HD1 H 0.356 0.000 . 1616 145 145 LEU HD2 H 0.471 0.000 . 1617 145 145 LEU C C 177.284 0.000 1 1618 145 145 LEU CA C 55.284 0.000 1 1619 145 145 LEU CB C 41.610 0.000 1 1620 145 145 LEU CG C 26.754 0.000 1 1621 145 145 LEU CD1 C 25.125 0.000 2 1622 145 145 LEU CD2 C 22.730 0.000 2 1623 145 145 LEU N N 115.288 0.000 1 1624 146 146 SER H H 7.506 0.000 1 1625 146 146 SER HA H 4.346 0.000 1 1626 146 146 SER HB2 H 3.953 0.000 2 1627 146 146 SER HB3 H 3.983 0.000 2 1628 146 146 SER C C 175.125 0.000 1 1629 146 146 SER CA C 59.046 0.000 1 1630 146 146 SER CB C 64.181 0.002 1 1631 146 146 SER N N 114.503 0.000 1 1632 147 147 LYS H H 8.329 0.000 1 1633 147 147 LYS HA H 4.167 0.000 1 1634 147 147 LYS HB2 H 1.807 0.000 2 1635 147 147 LYS HB3 H 1.843 0.000 2 1636 147 147 LYS HG2 H 1.446 0.000 2 1637 147 147 LYS HG3 H 1.446 0.000 2 1638 147 147 LYS HD2 H 1.471 0.000 2 1639 147 147 LYS HD3 H 1.536 0.000 2 1640 147 147 LYS HE2 H 2.972 0.000 2 1641 147 147 LYS HE3 H 2.972 0.000 2 1642 147 147 LYS CA C 57.682 0.000 1 1643 147 147 LYS CB C 32.758 0.007 1 1644 147 147 LYS CG C 24.683 0.000 1 1645 147 147 LYS CD C 29.083 0.000 1 1646 147 147 LYS CE C 42.085 0.000 1 1647 147 147 LYS N N 123.315 0.000 1 1648 148 148 GLY H H 8.353 0.000 1 1649 148 148 GLY HA2 H 3.874 0.000 . 1650 148 148 GLY HA3 H 4.003 0.000 2 1651 148 148 GLY C C 174.394 0.000 1 1652 148 148 GLY CA C 45.528 0.002 1 1653 148 148 GLY N N 108.566 0.000 1 1654 149 149 SER H H 7.993 0.000 1 1655 149 149 SER HA H 4.484 0.000 1 1656 149 149 SER HB2 H 3.893 0.000 2 1657 149 149 SER HB3 H 3.974 0.000 2 1658 149 149 SER C C 175.038 0.000 1 1659 149 149 SER CA C 58.418 0.000 1 1660 149 149 SER CB C 64.171 0.004 1 1661 149 149 SER N N 115.356 0.000 1 1662 150 150 SER H H 8.530 0.000 1 1663 150 150 SER HA H 4.490 0.000 1 1664 150 150 SER HB2 H 3.871 0.000 2 1665 150 150 SER HB3 H 3.919 0.000 2 1666 150 150 SER C C 175.034 0.000 1 1667 150 150 SER CA C 59.029 0.000 1 1668 150 150 SER CB C 63.407 0.008 1 1669 150 150 SER N N 118.028 0.000 1 1670 151 151 THR H H 8.153 0.000 1 1671 151 151 THR HA H 4.271 0.000 1 1672 151 151 THR HB H 4.215 0.000 1 1673 151 151 THR HG2 H 1.184 0.000 . 1674 151 151 THR C C 175.154 0.000 1 1675 151 151 THR CA C 62.870 0.000 1 1676 151 151 THR CB C 69.521 0.000 1 1677 151 151 THR CG2 C 21.708 0.000 1 1678 151 151 THR N N 115.572 0.000 1 1679 152 152 GLY H H 8.422 0.000 1 1680 152 152 GLY HA2 H 3.967 0.000 . 1681 152 152 GLY HA3 H 4.121 0.000 2 1682 152 152 GLY C C 174.591 0.000 1 1683 152 152 GLY CA C 45.614 0.006 1 1684 152 152 GLY N N 110.802 0.000 1 1685 153 153 THR H H 8.136 0.000 1 1686 153 153 THR HA H 4.148 0.000 . 1687 153 153 THR HB H 4.250 0.000 . 1688 153 153 THR HG2 H 1.249 0.000 . 1689 153 153 THR C C 176.005 0.000 . 1690 153 153 THR CA C 64.113 0.000 . 1691 153 153 THR CB C 69.618 0.000 . 1692 153 153 THR CG2 C 21.781 0.000 . 1693 153 153 THR N N 114.025 0.000 . 1694 154 154 ARG H H 8.498 0.000 1 1695 154 154 ARG HA H 4.292 0.000 . 1696 154 154 ARG HB2 H 1.903 0.000 . 1697 154 154 ARG HB3 H 1.903 0.000 . 1698 154 154 ARG HG2 H 1.709 0.000 . 1699 154 154 ARG HG3 H 1.709 0.000 . 1700 154 154 ARG HD2 H 3.204 0.000 . 1701 154 154 ARG HD3 H 3.204 0.000 . 1702 154 154 ARG HE H 7.594 0.000 . 1703 154 154 ARG C C 177.772 0.000 . 1704 154 154 ARG CA C 57.932 0.000 . 1705 154 154 ARG CB C 30.031 0.000 . 1706 154 154 ARG CG C 27.153 0.000 . 1707 154 154 ARG CD C 43.125 0.000 . 1708 154 154 ARG CZ C 159.771 0.000 . 1709 154 154 ARG N N 122.208 0.000 . 1710 154 154 ARG NE N 84.682 0.000 . 1711 155 155 ARG H H 8.211 0.000 1 1712 155 155 ARG HA H 4.235 0.000 . 1713 155 155 ARG HB2 H 1.862 0.000 . 1714 155 155 ARG HB3 H 1.862 0.000 . 1715 155 155 ARG HG2 H 1.649 0.000 . 1716 155 155 ARG HG3 H 1.649 0.000 . 1717 155 155 ARG HD2 H 3.170 0.000 . 1718 155 155 ARG HD3 H 3.242 0.000 . 1719 155 155 ARG HE H 7.683 0.000 . 1720 155 155 ARG C C 177.473 0.000 . 1721 155 155 ARG CA C 57.077 0.000 . 1722 155 155 ARG CB C 29.316 0.000 . 1723 155 155 ARG CG C 27.469 0.000 . 1724 155 155 ARG CD C 42.802 0.003 . 1725 155 155 ARG CZ C 159.554 0.000 . 1726 155 155 ARG N N 120.243 0.000 . 1727 155 155 ARG NE N 83.640 0.000 . 1728 156 156 LYS H H 8.018 0.000 1 1729 156 156 LYS HA H 3.921 0.000 . 1730 156 156 LYS HB2 H 1.788 0.000 . 1731 156 156 LYS HB3 H 1.788 0.000 . 1732 156 156 LYS HG2 H 1.379 0.000 . 1733 156 156 LYS HG3 H 1.479 0.000 . 1734 156 156 LYS HD2 H 1.663 0.000 . 1735 156 156 LYS HD3 H 1.663 0.000 . 1736 156 156 LYS HE2 H 2.975 0.000 . 1737 156 156 LYS HE3 H 2.975 0.000 . 1738 156 156 LYS C C 178.034 0.000 . 1739 156 156 LYS CA C 59.552 0.000 . 1740 156 156 LYS CB C 32.355 0.000 . 1741 156 156 LYS CG C 25.319 0.002 . 1742 156 156 LYS CD C 29.281 0.000 . 1743 156 156 LYS CE C 42.159 0.000 . 1744 156 156 LYS N N 120.590 0.000 . 1745 157 157 ALA H H 8.142 0.000 1 1746 157 157 ALA HA H 4.226 0.000 . 1747 157 157 ALA HB H 1.508 0.000 . 1748 157 157 ALA C C 180.092 0.000 . 1749 157 157 ALA CA C 54.871 0.000 . 1750 157 157 ALA CB C 18.430 0.000 . 1751 157 157 ALA N N 121.214 0.000 . 1752 158 158 LEU H H 7.943 0.000 1 1753 158 158 LEU HA H 3.983 0.000 . 1754 158 158 LEU HB2 H 1.700 0.000 . 1755 158 158 LEU HB3 H 1.731 0.000 . 1756 158 158 LEU HD1 H 0.828 0.000 . 1757 158 158 LEU HD2 H 0.899 0.000 . 1758 158 158 LEU C C 178.356 0.000 . 1759 158 158 LEU CA C 58.253 0.000 . 1760 158 158 LEU CB C 41.648 0.002 . 1761 158 158 LEU CD1 C 24.944 0.000 . 1762 158 158 LEU CD2 C 24.563 0.000 . 1763 158 158 LEU N N 119.449 0.000 . 1764 159 159 ARG H H 8.235 0.000 1 1765 159 159 ARG HA H 3.695 0.000 . 1766 159 159 ARG HB2 H 1.904 0.000 . 1767 159 159 ARG HB3 H 1.904 0.000 . 1768 159 159 ARG HG2 H 1.469 0.000 . 1769 159 159 ARG HG3 H 1.604 0.000 . 1770 159 159 ARG HD2 H 3.111 0.000 . 1771 159 159 ARG HD3 H 3.160 0.000 . 1772 159 159 ARG HE H 7.120 0.000 . 1773 159 159 ARG C C 177.660 0.000 . 1774 159 159 ARG CA C 60.221 0.000 . 1775 159 159 ARG CB C 29.327 0.000 . 1776 159 159 ARG CG C 27.705 0.002 . 1777 159 159 ARG CD C 43.508 0.001 . 1778 159 159 ARG CZ C 175.401 0.000 . 1779 159 159 ARG N N 119.176 0.000 . 1780 159 159 ARG NE N 84.407 0.000 . 1781 160 160 ASN H H 8.183 0.000 1 1782 160 160 ASN HA H 4.505 0.000 . 1783 160 160 ASN HB2 H 2.607 0.000 . 1784 160 160 ASN HB3 H 2.908 0.000 . 1785 160 160 ASN HD21 H 6.921 0.000 . 1786 160 160 ASN HD22 H 6.748 0.000 . 1787 160 160 ASN C C 178.240 0.000 . 1788 160 160 ASN CA C 55.995 0.000 . 1789 160 160 ASN CB C 37.820 0.010 . 1790 160 160 ASN CG C 174.761 0.000 . 1791 160 160 ASN N N 116.130 0.000 . 1792 160 160 ASN ND2 N 110.749 0.003 . 1793 161 161 LYS H H 8.093 0.000 1 1794 161 161 LYS HA H 4.104 0.000 . 1795 161 161 LYS HB2 H 1.771 0.000 . 1796 161 161 LYS HB3 H 2.174 0.000 . 1797 161 161 LYS HG2 H 1.451 0.000 . 1798 161 161 LYS HG3 H 1.451 0.000 . 1799 161 161 LYS HE2 H 2.872 0.000 . 1800 161 161 LYS HE3 H 2.872 0.000 . 1801 161 161 LYS C C 177.983 0.000 . 1802 161 161 LYS CA C 60.301 0.000 . 1803 161 161 LYS CB C 32.865 0.001 . 1804 161 161 LYS CG C 26.260 0.000 . 1805 161 161 LYS CE C 42.266 0.000 . 1806 161 161 LYS N N 120.590 0.000 . 1807 162 162 ILE H H 8.186 0.000 1 1808 162 162 ILE HA H 3.723 0.000 . 1809 162 162 ILE HB H 1.982 0.000 . 1810 162 162 ILE HG12 H 1.015 0.000 . 1811 162 162 ILE HG13 H 1.932 0.000 . 1812 162 162 ILE HG2 H 0.936 0.000 . 1813 162 162 ILE HD1 H 0.717 0.000 . 1814 162 162 ILE C C 177.752 0.000 . 1815 162 162 ILE CA C 65.927 0.000 . 1816 162 162 ILE CB C 37.037 0.000 . 1817 162 162 ILE CG1 C 29.652 0.004 . 1818 162 162 ILE CG2 C 18.211 0.000 . 1819 162 162 ILE CD1 C 13.197 0.000 . 1820 162 162 ILE N N 118.542 0.000 . 1821 163 163 LEU H H 8.583 0.000 1 1822 163 163 LEU HA H 4.093 0.000 . 1823 163 163 LEU HB2 H 1.599 0.000 . 1824 163 163 LEU HB3 H 1.914 0.000 . 1825 163 163 LEU HG H 1.806 0.000 . 1826 163 163 LEU HD1 H 0.890 0.000 . 1827 163 163 LEU HD2 H 0.931 0.000 . 1828 163 163 LEU C C 179.291 0.000 . 1829 163 163 LEU CA C 58.063 0.000 . 1830 163 163 LEU CB C 41.457 0.003 . 1831 163 163 LEU CG C 27.159 0.000 . 1832 163 163 LEU CD1 C 23.236 0.000 . 1833 163 163 LEU CD2 C 24.976 0.000 . 1834 163 163 LEU N N 119.699 0.000 . 1835 164 164 ALA H H 8.122 0.000 1 1836 164 164 ALA HA H 4.239 0.000 . 1837 164 164 ALA HB H 1.769 0.000 . 1838 164 164 ALA C C 179.530 0.000 . 1839 164 164 ALA CA C 55.857 0.000 . 1840 164 164 ALA CB C 18.451 0.000 . 1841 164 164 ALA N N 122.093 0.000 . 1842 165 165 ILE H H 8.192 0.000 1 1843 165 165 ILE HA H 3.647 0.000 . 1844 165 165 ILE HB H 2.248 0.000 . 1845 165 165 ILE HG12 H 1.083 0.000 . 1846 165 165 ILE HG13 H 1.973 0.000 . 1847 165 165 ILE HG2 H 0.871 0.000 . 1848 165 165 ILE HD1 H 0.836 0.000 . 1849 165 165 ILE C C 178.389 0.000 . 1850 165 165 ILE CA C 65.373 0.000 . 1851 165 165 ILE CB C 37.867 0.000 . 1852 165 165 ILE CG1 C 29.246 0.006 . 1853 165 165 ILE CG2 C 17.907 0.000 . 1854 165 165 ILE CD1 C 14.189 0.000 . 1855 165 165 ILE N N 117.180 0.000 . 1856 166 166 ALA H H 8.844 0.000 1 1857 166 166 ALA HA H 4.034 0.000 . 1858 166 166 ALA HB H 1.692 0.000 . 1859 166 166 ALA C C 179.368 0.000 . 1860 166 166 ALA CA C 55.689 0.000 . 1861 166 166 ALA CB C 18.642 0.000 . 1862 166 166 ALA N N 124.182 0.000 . 1863 167 167 LYS H H 8.212 0.000 1 1864 167 167 LYS HA H 4.036 0.000 . 1865 167 167 LYS HB2 H 1.841 0.000 . 1866 167 167 LYS HB3 H 2.099 0.000 . 1867 167 167 LYS HG2 H 1.595 0.000 . 1868 167 167 LYS HG3 H 1.663 0.000 . 1869 167 167 LYS HD2 H 1.727 0.000 . 1870 167 167 LYS HD3 H 1.727 0.000 . 1871 167 167 LYS HE2 H 2.902 0.000 . 1872 167 167 LYS HE3 H 3.092 0.000 . 1873 167 167 LYS C C 179.425 0.000 . 1874 167 167 LYS CA C 59.739 0.000 . 1875 167 167 LYS CB C 32.340 0.000 . 1876 167 167 LYS CG C 25.316 0.001 . 1877 167 167 LYS CD C 29.030 0.000 . 1878 167 167 LYS CE C 41.813 0.000 . 1879 167 167 LYS N N 117.626 0.000 . 1880 168 168 VAL H H 8.174 0.000 1 1881 168 168 VAL HA H 3.696 0.000 . 1882 168 168 VAL HB H 2.195 0.000 . 1883 168 168 VAL HG1 H 0.954 0.000 . 1884 168 168 VAL HG2 H 1.101 0.000 . 1885 168 168 VAL C C 177.250 0.000 . 1886 168 168 VAL CA C 66.709 0.000 . 1887 168 168 VAL CB C 31.774 0.000 . 1888 168 168 VAL CG1 C 22.178 0.000 . 1889 168 168 VAL CG2 C 22.619 0.000 . 1890 168 168 VAL N N 118.030 0.000 . 1891 169 169 SER H H 8.614 0.000 1 1892 169 169 SER HA H 4.133 0.000 . 1893 169 169 SER HB2 H 3.923 0.000 . 1894 169 169 SER HB3 H 3.977 0.000 . 1895 169 169 SER CA C 62.741 0.000 . 1896 169 169 SER CB C 62.860 0.000 . 1897 169 169 SER N N 114.720 0.000 . 1898 170 170 ARG H H 8.227 0.000 1 1899 170 170 ARG HA H 4.112 0.000 . 1900 170 170 ARG HB2 H 1.943 0.000 . 1901 170 170 ARG HB3 H 2.133 0.000 . 1902 170 170 ARG HG2 H 1.721 0.000 . 1903 170 170 ARG HG3 H 1.721 0.000 . 1904 170 170 ARG HD2 H 3.133 0.000 . 1905 170 170 ARG HD3 H 3.259 0.000 . 1906 170 170 ARG HE H 7.736 0.000 . 1907 170 170 ARG C C 178.417 0.000 . 1908 170 170 ARG CA C 58.992 0.000 . 1909 170 170 ARG CB C 30.011 0.008 . 1910 170 170 ARG CG C 27.370 0.000 . 1911 170 170 ARG CD C 43.352 0.008 . 1912 170 170 ARG CZ C 159.536 0.000 . 1913 170 170 ARG N N 121.544 0.000 . 1914 170 170 ARG NE N 84.735 0.000 . 1915 171 171 MET H H 8.045 0.000 1 1916 171 171 MET HA H 3.992 0.000 . 1917 171 171 MET HB2 H 2.040 0.000 . 1918 171 171 MET HB3 H 2.110 0.000 . 1919 171 171 MET HG2 H 2.307 0.000 . 1920 171 171 MET HG3 H 2.563 0.000 . 1921 171 171 MET HE H 1.786 0.000 . 1922 171 171 MET C C 177.844 0.000 . 1923 171 171 MET CA C 59.167 0.000 . 1924 171 171 MET CB C 33.262 0.002 . 1925 171 171 MET CG C 32.261 0.001 . 1926 171 171 MET CE C 16.846 0.000 . 1927 171 171 MET N N 119.165 0.000 . 1928 172 172 PHE H H 8.001 0.000 1 1929 172 172 PHE HA H 4.460 0.000 . 1930 172 172 PHE HB2 H 3.113 0.000 . 1931 172 172 PHE HB3 H 3.275 0.000 . 1932 172 172 PHE HD1 H 7.266 0.000 . 1933 172 172 PHE HD2 H 7.266 0.000 . 1934 172 172 PHE HE1 H 7.246 0.000 . 1935 172 172 PHE HE2 H 7.246 0.000 . 1936 172 172 PHE HZ H 7.158 0.000 . 1937 172 172 PHE C C 177.191 0.000 . 1938 172 172 PHE CA C 59.827 0.000 . 1939 172 172 PHE CB C 38.929 0.000 . 1940 172 172 PHE CD2 C 130.731 0.000 . 1941 172 172 PHE CE2 C 132.073 0.000 . 1942 172 172 PHE N N 116.089 0.000 . 1943 173 173 SER H H 8.026 0.000 1 1944 173 173 SER HA H 4.164 0.000 . 1945 173 173 SER HB2 H 4.042 0.000 . 1946 173 173 SER HB3 H 4.042 0.000 . 1947 173 173 SER C C 176.080 0.000 . 1948 173 173 SER CA C 61.075 0.000 . 1949 173 173 SER CB C 63.383 0.000 . 1950 173 173 SER N N 114.738 0.000 . 1951 174 174 VAL H H 7.541 0.000 1 1952 174 174 VAL HA H 4.199 0.000 . 1953 174 174 VAL HB H 2.283 0.000 . 1954 174 174 VAL HG1 H 0.949 0.000 . 1955 174 174 VAL HG2 H 0.987 0.000 . 1956 174 174 VAL C C 176.740 0.000 . 1957 174 174 VAL CA C 63.078 0.000 . 1958 174 174 VAL CB C 31.805 0.000 . 1959 174 174 VAL CG1 C 21.238 0.000 . 1960 174 174 VAL CG2 C 20.560 0.000 . 1961 174 174 VAL N N 116.210 0.000 . 1962 175 175 LEU H H 7.549 0.000 1 1963 175 175 LEU HA H 4.291 0.000 . 1964 175 175 LEU HB2 H 1.663 0.000 . 1965 175 175 LEU HB3 H 1.788 0.000 . 1966 175 175 LEU HG H 1.873 0.000 . 1967 175 175 LEU HD1 H 0.870 0.000 . 1968 175 175 LEU HD2 H 0.929 0.000 . 1969 175 175 LEU C C 176.663 0.000 . 1970 175 175 LEU CA C 55.719 0.000 . 1971 175 175 LEU CB C 42.552 0.003 . 1972 175 175 LEU CG C 26.623 0.000 . 1973 175 175 LEU CD1 C 23.183 0.000 . 1974 175 175 LEU CD2 C 26.107 0.000 . 1975 175 175 LEU N N 121.383 0.000 . 1976 176 176 ARG H H 7.436 0.000 1 1977 176 176 ARG HA H 4.155 0.000 . 1978 176 176 ARG HB2 H 1.699 0.000 . 1979 176 176 ARG HB3 H 1.804 0.000 . 1980 176 176 ARG HG2 H 1.516 0.000 . 1981 176 176 ARG HG3 H 1.552 0.000 . 1982 176 176 ARG HD2 H 2.994 0.000 . 1983 176 176 ARG HD3 H 3.114 0.000 . 1984 176 176 ARG HE H 7.557 0.000 . 1985 176 176 ARG HH11 H 6.775 0.000 . 1986 176 176 ARG CA C 57.501 0.000 . 1987 176 176 ARG CB C 31.627 0.007 . 1988 176 176 ARG CG C 27.212 0.004 . 1989 176 176 ARG CD C 43.624 0.000 . 1990 176 176 ARG CZ C 159.689 0.000 . 1991 176 176 ARG N N 124.710 0.000 . 1992 176 176 ARG NE N 85.700 0.000 . stop_ save_