data_19604 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N chemical shift assignments for the complex of calmodulin with minimal binding domain from HIV-1 matrix protein ; _BMRB_accession_number 19604 _BMRB_flat_file_name bmr19604.str _Entry_type original _Submission_date 2013-11-07 _Accession_date 2013-11-07 _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 Vlach Jiri . . 2 Samal Alexandra . . 3 Saad Jamil . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1059 "13C chemical shifts" 632 "15N chemical shifts" 197 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-23 update BMRB 'update entry citation' 2013-11-07 original author 'original release' stop_ _Original_release_date 2013-11-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of Calmodulin Bound to the Binding Domain of the HIV-1 Matrix Protein. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24500712 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vlach Jiri . . 2 Samal Alexandra B. . 3 Saad Jamil S. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 289 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8697 _Page_last 8705 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'complex of calmodulin with minimal binding domain from HIV-1 matrix protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label calmodulin $calmodulin MA8-43 $MA8-43 'CALCIUM ION_1' $entity_CA 'CALCIUM ION_2' $entity_CA 'CALCIUM ION_3' $entity_CA 'CALCIUM ION_4' $entity_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_calmodulin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common calmodulin _Molecular_mass 16721.465 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 ASP 3 3 GLN 4 4 LEU 5 5 THR 6 6 GLU 7 7 GLU 8 8 GLN 9 9 ILE 10 10 ALA 11 11 GLU 12 12 PHE 13 13 LYS 14 14 GLU 15 15 ALA 16 16 PHE 17 17 SER 18 18 LEU 19 19 PHE 20 20 ASP 21 21 LYS 22 22 ASP 23 23 GLY 24 24 ASP 25 25 GLY 26 26 THR 27 27 ILE 28 28 THR 29 29 THR 30 30 LYS 31 31 GLU 32 32 LEU 33 33 GLY 34 34 THR 35 35 VAL 36 36 MET 37 37 ARG 38 38 SER 39 39 LEU 40 40 GLY 41 41 GLN 42 42 ASN 43 43 PRO 44 44 THR 45 45 GLU 46 46 ALA 47 47 GLU 48 48 LEU 49 49 GLN 50 50 ASP 51 51 MET 52 52 ILE 53 53 ASN 54 54 GLU 55 55 VAL 56 56 ASP 57 57 ALA 58 58 ASP 59 59 GLY 60 60 ASN 61 61 GLY 62 62 THR 63 63 ILE 64 64 ASP 65 65 PHE 66 66 PRO 67 67 GLU 68 68 PHE 69 69 LEU 70 70 THR 71 71 MET 72 72 MET 73 73 ALA 74 74 ARG 75 75 LYS 76 76 MET 77 77 LYS 78 78 ASP 79 79 THR 80 80 ASP 81 81 SER 82 82 GLU 83 83 GLU 84 84 GLU 85 85 ILE 86 86 ARG 87 87 GLU 88 88 ALA 89 89 PHE 90 90 ARG 91 91 VAL 92 92 PHE 93 93 ASP 94 94 LYS 95 95 ASP 96 96 GLY 97 97 ASN 98 98 GLY 99 99 TYR 100 100 ILE 101 101 SER 102 102 ALA 103 103 ALA 104 104 GLU 105 105 LEU 106 106 ARG 107 107 HIS 108 108 VAL 109 109 MET 110 110 THR 111 111 ASN 112 112 LEU 113 113 GLY 114 114 GLU 115 115 LYS 116 116 LEU 117 117 THR 118 118 ASP 119 119 GLU 120 120 GLU 121 121 VAL 122 122 ASP 123 123 GLU 124 124 MET 125 125 ILE 126 126 ARG 127 127 GLU 128 128 ALA 129 129 ASP 130 130 ILE 131 131 ASP 132 132 GLY 133 133 ASP 134 134 GLY 135 135 GLN 136 136 VAL 137 137 ASN 138 138 TYR 139 139 GLU 140 140 GLU 141 141 PHE 142 142 VAL 143 143 GLN 144 144 MET 145 145 MET 146 146 THR 147 147 ALA 148 148 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP P0DP29 . . . . . . stop_ save_ save_MA8-43 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MA8-43 _Molecular_mass 4317.116 _Mol_thiol_state 'not present' _Details . _Residue_count 36 _Mol_residue_sequence ; LSGGELDKWEKIRLRPGGKK QYKLKHIVWASRELER ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 8 LEU 2 9 SER 3 10 GLY 4 11 GLY 5 12 GLU 6 13 LEU 7 14 ASP 8 15 LYS 9 16 TRP 10 17 GLU 11 18 LYS 12 19 ILE 13 20 ARG 14 21 LEU 15 22 ARG 16 23 PRO 17 24 GLY 18 25 GLY 19 26 LYS 20 27 LYS 21 28 GLN 22 29 TYR 23 30 LYS 24 31 LEU 25 32 LYS 26 33 HIS 27 34 ILE 28 35 VAL 29 36 TRP 30 37 ALA 31 38 SER 32 39 ARG 33 40 GLU 34 41 LEU 35 42 GLU 36 43 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type NON-POLYMER _Name_common 'CALCIUM ION' _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $calmodulin 'Norway Rat' 10116 Eukaryota Metazoa Rattus norvegicus $MA8-43 HIV 11676 Viruses . Lentivirus 'Human immunodeficiency virus 1' 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 $calmodulin 'recombinant technology' . Escherichia coli . pT7-7 $MA8-43 'recombinant technology' . Escherichia coli . pET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $calmodulin . mM 0.1 1.2 '[U-95% 13C; U-95% 15N]' $MA8-43 . mM 0.1 1.2 'natural abundance' $entity_CA 5 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version 2.2 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_cyana _Saveframe_category software _Name CYANA _Version any loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_nmrDraw _Saveframe_category software _Name NMRDraw _Version any loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'Spectrum display' stop_ _Details . save_ save_nmrPipe _Saveframe_category software _Name NMRPipe _Version any loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'Spectrum processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _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' 0.015 . M pH 6.3 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HNCO' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' 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 calmodulin _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 ASP HA H 4.64 0.011 1 2 2 2 ASP HB2 H 2.689 0.008 2 3 2 2 ASP HB3 H 2.542 0.009 2 4 2 2 ASP CA C 54.613 0.049 1 5 2 2 ASP CB C 41.351 0.049 1 6 3 3 GLN H H 8.388 0.001 1 7 3 3 GLN HA H 4.373 0.004 1 8 3 3 GLN HB2 H 1.972 0.005 2 9 3 3 GLN HB3 H 2.083 0.017 2 10 3 3 GLN HG2 H 2.357 0.007 1 11 3 3 GLN HG3 H 2.357 0.007 1 12 3 3 GLN CA C 55.498 0.092 1 13 3 3 GLN CB C 29.778 0.05 1 14 3 3 GLN CG C 33.699 0.063 1 15 3 3 GLN N N 120.3 0.038 1 16 4 4 LEU H H 8.299 0.004 1 17 4 4 LEU HA H 4.687 0.012 1 18 4 4 LEU HB2 H 1.738 0.015 1 19 4 4 LEU HB3 H 1.519 0.012 1 20 4 4 LEU HG H 1.743 0.008 1 21 4 4 LEU HD1 H 0.969 0.012 1 22 4 4 LEU HD2 H 0.962 0.015 1 23 4 4 LEU CA C 54.359 0.06 1 24 4 4 LEU CB C 43.653 0.062 1 25 4 4 LEU CG C 27.104 0.059 1 26 4 4 LEU CD1 C 26.746 0.086 1 27 4 4 LEU CD2 C 23.883 0.06 1 28 4 4 LEU N N 123.525 0.049 1 29 5 5 THR H H 8.651 0.001 1 30 5 5 THR HA H 4.476 0.006 1 31 5 5 THR HB H 4.751 0.004 1 32 5 5 THR HG2 H 1.322 0.003 1 33 5 5 THR CA C 60.463 0.000 1 34 5 5 THR CB C 71.25 0.000 1 35 5 5 THR N N 113.299 0.012 1 36 6 6 GLU H H 9.014 0.002 1 37 6 6 GLU HA H 3.975 0.007 1 38 6 6 GLU HB2 H 2.048 0.006 1 39 6 6 GLU HB3 H 2.048 0.006 1 40 6 6 GLU HG2 H 2.35 0.013 1 41 6 6 GLU HG3 H 2.35 0.013 1 42 6 6 GLU CA C 59.935 0.065 1 43 6 6 GLU CB C 29.199 0.000 1 44 6 6 GLU CG C 36.624 0.000 1 45 6 6 GLU N N 120.62 0.008 1 46 7 7 GLU H H 8.713 0.007 1 47 7 7 GLU HA H 4.068 0.008 1 48 7 7 GLU HB2 H 1.925 0.003 2 49 7 7 GLU HB3 H 2.048 0.006 2 50 7 7 GLU HG2 H 2.318 0.000 1 51 7 7 GLU HG3 H 2.318 0.000 1 52 7 7 GLU CA C 59.943 0.057 1 53 7 7 GLU CB C 29.078 0.000 1 54 7 7 GLU CG C 36.744 0.000 1 55 7 7 GLU N N 119.586 0.018 1 56 8 8 GLN H H 7.719 0.002 1 57 8 8 GLN HA H 3.825 0.004 1 58 8 8 GLN HB2 H 1.66 0.008 1 59 8 8 GLN HE21 H 6.806 0.000 1 60 8 8 GLN HE22 H 7.463 0.005 1 61 8 8 GLN CA C 58.775 0.027 1 62 8 8 GLN CB C 29.46 0.000 1 63 8 8 GLN CG C 35.142 0.000 1 64 8 8 GLN N N 120.413 0.038 1 65 8 8 GLN NE2 N 111.38 0.003 1 66 9 9 ILE H H 8.267 0.005 1 67 9 9 ILE HA H 3.668 0.01 1 68 9 9 ILE HB H 1.95 0.01 1 69 9 9 ILE HG12 H 1.823 0.009 2 70 9 9 ILE HG13 H 1.096 0.005 2 71 9 9 ILE HG2 H 1.127 0.011 1 72 9 9 ILE HD1 H 0.869 0.013 1 73 9 9 ILE CA C 66.235 0.066 1 74 9 9 ILE CB C 37.821 0.045 1 75 9 9 ILE CG1 C 30.32 0.083 1 76 9 9 ILE CG2 C 17.465 0.06 1 77 9 9 ILE CD1 C 12.94 0.064 1 78 9 9 ILE N N 119.362 0.02 1 79 10 10 ALA H H 8.023 0.006 1 80 10 10 ALA HA H 4.118 0.01 1 81 10 10 ALA HB H 1.522 0.007 1 82 10 10 ALA CA C 55.397 0.05 1 83 10 10 ALA CB C 17.796 0.017 1 84 10 10 ALA N N 121.321 0.026 1 85 11 11 GLU H H 7.761 0.004 1 86 11 11 GLU HA H 4.141 0.001 1 87 11 11 GLU HB2 H 1.913 0.002 2 88 11 11 GLU HB3 H 2.04 0.0 2 89 11 11 GLU HG2 H 2.172 0.001 2 90 11 11 GLU HG3 H 2.38 0.003 2 91 11 11 GLU CA C 59.411 0.045 1 92 11 11 GLU CB C 29.208 0.000 1 93 11 11 GLU N N 119.865 0.041 1 94 12 12 PHE H H 8.479 0.002 1 95 12 12 PHE HA H 5.023 0.014 1 96 12 12 PHE HB2 H 3.451 0.006 2 97 12 12 PHE HB3 H 3.522 0.016 2 98 12 12 PHE HD1 H 7.147 0.01 3 99 12 12 PHE HD2 H 7.147 0.01 3 100 12 12 PHE HE1 H 7.27 0.003 3 101 12 12 PHE HE2 H 7.27 0.003 3 102 12 12 PHE CA C 58.712 0.056 1 103 12 12 PHE CB C 37.517 0.064 1 104 12 12 PHE CD1 C 130.221 0.05 3 105 12 12 PHE CD2 C 130.221 0.05 3 106 12 12 PHE CE1 C 131.438 0.077 3 107 12 12 PHE CE2 C 131.438 0.077 3 108 12 12 PHE N N 119.971 0.018 1 109 13 13 LYS H H 9.222 0.005 1 110 13 13 LYS HA H 3.974 0.017 1 111 13 13 LYS HB2 H 1.908 0.013 1 112 13 13 LYS HB3 H 1.908 0.013 1 113 13 13 LYS HG2 H 1.179 0.015 2 114 13 13 LYS HG3 H 1.015 0.01 2 115 13 13 LYS HD2 H 1.346 0.001 2 116 13 13 LYS HD3 H 1.189 0.004 2 117 13 13 LYS HE2 H 2.564 0.007 2 118 13 13 LYS HE3 H 2.564 0.007 2 119 13 13 LYS CA C 59.956 0.087 1 120 13 13 LYS CB C 31.778 0.079 1 121 13 13 LYS CG C 25.371 0.084 1 122 13 13 LYS CD C 28.563 0.043 1 123 13 13 LYS CE C 41.551 0.041 1 124 13 13 LYS N N 123.604 0.02 1 125 14 14 GLU H H 7.924 0.002 1 126 14 14 GLU HA H 4.113 0.000 1 127 14 14 GLU HB2 H 2.241 0.005 1 128 14 14 GLU HB3 H 2.241 0.005 1 129 14 14 GLU HG2 H 2.421 0.006 1 130 14 14 GLU HG3 H 2.421 0.006 1 131 14 14 GLU CA C 59.562 0.036 1 132 14 14 GLU CB C 29.415 0.000 1 133 14 14 GLU CG C 36.182 0.000 1 134 14 14 GLU N N 120.976 0.033 1 135 15 15 ALA H H 7.99 0.003 1 136 15 15 ALA HA H 4.324 0.015 1 137 15 15 ALA HB H 1.91 0.016 1 138 15 15 ALA CA C 55.138 0.069 1 139 15 15 ALA CB C 18.002 0.063 1 140 15 15 ALA N N 122.303 0.053 1 141 16 16 PHE H H 8.666 0.004 1 142 16 16 PHE HA H 3.27 0.009 1 143 16 16 PHE HB2 H 2.666 0.013 1 144 16 16 PHE HB3 H 3.134 0.021 1 145 16 16 PHE HD1 H 6.474 0.005 3 146 16 16 PHE HD2 H 6.474 0.005 3 147 16 16 PHE HE1 H 7.018 0.013 3 148 16 16 PHE HE2 H 7.018 0.013 3 149 16 16 PHE HZ H 7.168 0.016 1 150 16 16 PHE CA C 61.988 0.094 1 151 16 16 PHE CB C 39.906 0.09 1 152 16 16 PHE CD1 C 132.005 0.000 3 153 16 16 PHE CD2 C 132.005 0.000 3 154 16 16 PHE CE1 C 131.109 0.079 3 155 16 16 PHE CE2 C 131.109 0.079 3 156 16 16 PHE CZ C 129.598 0.075 1 157 16 16 PHE N N 119.011 0.034 1 158 17 17 SER H H 8.202 0.003 1 159 17 17 SER HA H 4.086 0.025 1 160 17 17 SER CA C 61.532 0.08 1 161 17 17 SER CB C 62.921 0.000 1 162 17 17 SER N N 113.988 0.035 1 163 18 18 LEU H H 7.28 0.004 1 164 18 18 LEU HA H 3.95 0.011 1 165 18 18 LEU HB2 H 1.717 0.01 2 166 18 18 LEU HB3 H 1.634 0.009 2 167 18 18 LEU HG H 1.471 0.008 1 168 18 18 LEU HD1 H 0.657 0.009 1 169 18 18 LEU HD2 H 0.803 0.016 1 170 18 18 LEU CA C 57.487 0.086 1 171 18 18 LEU CB C 41.523 0.071 1 172 18 18 LEU CG C 26.783 0.09 1 173 18 18 LEU CD1 C 24.583 0.074 1 174 18 18 LEU CD2 C 24.628 0.069 1 175 18 18 LEU N N 120.913 0.027 1 176 19 19 PHE H H 7.07 0.001 1 177 19 19 PHE HA H 4.032 0.007 1 178 19 19 PHE HB2 H 2.711 0.023 2 179 19 19 PHE HB3 H 2.583 0.016 2 180 19 19 PHE HD1 H 7.326 0.008 3 181 19 19 PHE HD2 H 7.326 0.008 3 182 19 19 PHE HE1 H 7.255 0.013 3 183 19 19 PHE HE2 H 7.255 0.013 3 184 19 19 PHE HZ H 7.352 0.026 1 185 19 19 PHE CA C 59.406 0.102 1 186 19 19 PHE CB C 41.557 0.071 1 187 19 19 PHE CD1 C 131.962 0.082 3 188 19 19 PHE CD2 C 131.962 0.082 3 189 19 19 PHE CE1 C 130.908 0.075 3 190 19 19 PHE CE2 C 130.908 0.075 3 191 19 19 PHE CZ C 131.28 0.102 1 192 19 19 PHE N N 113.613 0.032 1 193 20 20 ASP H H 7.79 0.007 1 194 20 20 ASP HA H 4.593 0.008 1 195 20 20 ASP HB2 H 1.495 0.011 1 196 20 20 ASP HB3 H 2.3 0.014 1 197 20 20 ASP CA C 52.468 0.107 1 198 20 20 ASP CB C 39.296 0.108 1 199 20 20 ASP N N 117.393 0.034 1 200 21 21 LYS H H 7.707 0.002 1 201 21 21 LYS HA H 3.978 0.006 1 202 21 21 LYS HB2 H 1.854 0.006 1 203 21 21 LYS HB3 H 1.854 0.006 1 204 21 21 LYS HG2 H 1.474 0.009 1 205 21 21 LYS HG3 H 1.474 0.009 1 206 21 21 LYS HD2 H 1.677 0.005 1 207 21 21 LYS HD3 H 1.677 0.005 1 208 21 21 LYS HE2 H 2.985 0.015 1 209 21 21 LYS HE3 H 2.985 0.015 1 210 21 21 LYS CA C 58.32 0.05 1 211 21 21 LYS CB C 32.673 0.034 1 212 21 21 LYS CG C 24.705 0.034 1 213 21 21 LYS CD C 28.367 0.139 1 214 21 21 LYS CE C 41.885 0.083 1 215 21 21 LYS N N 124.292 0.032 1 216 22 22 ASP H H 8.025 0.004 1 217 22 22 ASP HA H 4.58 0.006 1 218 22 22 ASP HB2 H 2.622 0.0 2 219 22 22 ASP HB3 H 3.059 0.007 2 220 22 22 ASP CA C 52.791 0.036 1 221 22 22 ASP CB C 39.565 0.045 1 222 22 22 ASP N N 114.139 0.039 1 223 23 23 GLY H H 7.661 0.003 1 224 23 23 GLY HA2 H 3.851 0.003 1 225 23 23 GLY HA3 H 3.851 0.003 1 226 23 23 GLY CA C 47.216 0.025 1 227 23 23 GLY N N 109.378 0.043 1 228 24 24 ASP H H 8.466 0.003 1 229 24 24 ASP HA H 4.515 0.002 1 230 24 24 ASP HB2 H 2.454 0.021 1 231 24 24 ASP HB3 H 3.053 0.002 1 232 24 24 ASP CA C 53.678 0.024 1 233 24 24 ASP CB C 40.503 0.032 1 234 24 24 ASP N N 121.022 0.038 1 235 25 25 GLY H H 10.507 0.003 1 236 25 25 GLY HA2 H 3.703 0.003 1 237 25 25 GLY HA3 H 4.362 0.007 1 238 25 25 GLY CA C 45.346 0.047 1 239 25 25 GLY N N 112.81 0.026 1 240 26 26 THR H H 8.191 0.002 1 241 26 26 THR HA H 5.431 0.035 1 242 26 26 THR HB H 3.834 0.007 1 243 26 26 THR HG2 H 1.044 0.011 1 244 26 26 THR CA C 59.576 0.057 1 245 26 26 THR CB C 72.73 0.071 1 246 26 26 THR CG2 C 22.051 0.103 1 247 26 26 THR N N 112.094 0.038 1 248 27 27 ILE H H 9.845 0.005 1 249 27 27 ILE HA H 4.767 0.008 1 250 27 27 ILE HB H 1.666 0.012 1 251 27 27 ILE HG12 H 0.153 0.02 1 252 27 27 ILE HG13 H 1.22 0.012 1 253 27 27 ILE HG2 H 0.898 0.022 1 254 27 27 ILE HD1 H 0.277 0.019 1 255 27 27 ILE CA C 61.13 0.072 1 256 27 27 ILE CB C 39.988 0.101 1 257 27 27 ILE CG1 C 26.79 0.083 1 258 27 27 ILE CG2 C 17.243 0.067 1 259 27 27 ILE CD1 C 15.225 0.089 1 260 27 27 ILE N N 126.447 0.033 1 261 28 28 THR H H 8.322 0.006 1 262 28 28 THR HA H 4.894 0.019 1 263 28 28 THR HB H 4.801 0.015 1 264 28 28 THR HG1 H 5.748 0.002 1 265 28 28 THR HG2 H 1.276 0.016 1 266 28 28 THR CA C 59.217 0.035 1 267 28 28 THR CB C 72.48 0.082 1 268 28 28 THR CG2 C 21.797 0.082 1 269 28 28 THR N N 116.315 0.061 1 270 29 29 THR H H 9.251 0.005 1 271 29 29 THR HA H 3.79 0.009 1 272 29 29 THR HB H 4.222 0.004 1 273 29 29 THR HG2 H 1.292 0.013 1 274 29 29 THR CA C 66.207 0.059 1 275 29 29 THR CB C 67.737 0.038 1 276 29 29 THR CG2 C 23.391 0.019 1 277 29 29 THR N N 112.27 0.036 1 278 30 30 LYS H H 7.569 0.003 1 279 30 30 LYS HA H 4.118 0.013 1 280 30 30 LYS HB2 H 1.823 0.002 1 281 30 30 LYS HB3 H 1.823 0.002 1 282 30 30 LYS HG2 H 1.501 0.002 2 283 30 30 LYS HG3 H 1.415 0.000 2 284 30 30 LYS HD2 H 1.681 0.008 1 285 30 30 LYS HD3 H 1.681 0.008 1 286 30 30 LYS HE2 H 2.982 0.01 1 287 30 30 LYS HE3 H 2.982 0.01 1 288 30 30 LYS CA C 59.257 0.131 1 289 30 30 LYS CB C 32.533 0.072 1 290 30 30 LYS CG C 24.854 0.172 1 291 30 30 LYS CD C 28.901 0.18 1 292 30 30 LYS CE C 41.742 0.000 1 293 30 30 LYS N N 121.127 0.028 1 294 31 31 GLU H H 7.715 0.004 1 295 31 31 GLU HA H 4.016 0.015 1 296 31 31 GLU HB2 H 2.479 0.006 2 297 31 31 GLU HB3 H 2.712 0.006 2 298 31 31 GLU HG2 H 2.336 0.005 1 299 31 31 GLU HG3 H 2.336 0.005 1 300 31 31 GLU CA C 59.457 0.086 1 301 31 31 GLU CB C 29.551 0.057 1 302 31 31 GLU CG C 38.168 0.064 1 303 31 31 GLU N N 121.876 0.03 1 304 32 32 LEU H H 8.592 0.005 1 305 32 32 LEU HA H 4.194 0.013 1 306 32 32 LEU HB2 H 1.438 0.014 1 307 32 32 LEU HB3 H 1.964 0.018 1 308 32 32 LEU HG H 1.575 0.000 1 309 32 32 LEU HD1 H 0.948 0.022 1 310 32 32 LEU HD2 H 0.924 0.031 1 311 32 32 LEU CA C 58.187 0.092 1 312 32 32 LEU CB C 42.156 0.086 1 313 32 32 LEU CD1 C 24.007 0.071 1 314 32 32 LEU CD2 C 26.535 0.081 1 315 32 32 LEU N N 120.674 0.058 1 316 33 33 GLY H H 8.861 0.003 1 317 33 33 GLY HA2 H 3.981 0.013 1 318 33 33 GLY HA3 H 3.577 0.008 1 319 33 33 GLY CA C 48.227 0.061 1 320 33 33 GLY N N 106.859 0.063 1 321 34 34 THR H H 7.965 0.004 1 322 34 34 THR HA H 3.935 0.004 1 323 34 34 THR HB H 4.349 0.009 1 324 34 34 THR HG2 H 1.256 0.008 1 325 34 34 THR CA C 66.964 0.081 1 326 34 34 THR CB C 68.61 0.101 1 327 34 34 THR CG2 C 21.45 0.017 1 328 34 34 THR N N 118.512 0.048 1 329 35 35 VAL H H 7.532 0.008 1 330 35 35 VAL HA H 3.571 0.01 1 331 35 35 VAL HB H 1.945 0.01 1 332 35 35 VAL HG1 H 0.437 0.011 1 333 35 35 VAL HG2 H 0.623 0.021 1 334 35 35 VAL CA C 66.559 0.082 1 335 35 35 VAL CB C 31.531 0.044 1 336 35 35 VAL CG1 C 20.613 0.053 1 337 35 35 VAL CG2 C 22.916 0.072 1 338 35 35 VAL N N 122.456 0.04 1 339 36 36 MET H H 8.525 0.005 1 340 36 36 MET HA H 3.899 0.019 1 341 36 36 MET HB2 H 1.906 0.008 2 342 36 36 MET HB3 H 2.351 0.006 2 343 36 36 MET HG2 H 2.638 0.013 2 344 36 36 MET HG3 H 2.64 0.01 2 345 36 36 MET HE H 1.809 0.007 1 346 36 36 MET CA C 60.156 0.065 1 347 36 36 MET CB C 31.731 0.000 1 348 36 36 MET CG C 33.472 0.041 1 349 36 36 MET CE C 16.696 0.063 1 350 36 36 MET N N 118.015 0.026 1 351 37 37 ARG H H 8.579 0.006 1 352 37 37 ARG HA H 4.781 0.018 1 353 37 37 ARG HB2 H 1.915 0.002 1 354 37 37 ARG HB3 H 1.915 0.002 1 355 37 37 ARG HG2 H 1.892 0.0 1 356 37 37 ARG HG3 H 1.892 0.0 1 357 37 37 ARG HD2 H 3.152 0.011 2 358 37 37 ARG HD3 H 3.325 0.007 2 359 37 37 ARG HE H 7.425 0.002 1 360 37 37 ARG CA C 59.256 0.126 1 361 37 37 ARG CB C 29.613 0.000 1 362 37 37 ARG CG C 29.613 0.000 1 363 37 37 ARG CD C 43.355 0.071 1 364 37 37 ARG N N 119.604 0.033 1 365 37 37 ARG NE N 84.955 0.026 1 366 38 38 SER H H 7.939 0.008 1 367 38 38 SER HA H 4.396 0.009 1 368 38 38 SER HB2 H 4.004 0.01 1 369 38 38 SER HB3 H 4.13 0.008 1 370 38 38 SER CA C 61.758 0.097 1 371 38 38 SER CB C 62.691 0.067 1 372 38 38 SER N N 119.543 0.028 1 373 39 39 LEU H H 7.394 0.003 1 374 39 39 LEU HA H 4.441 0.014 1 375 39 39 LEU HB2 H 1.929 0.01 2 376 39 39 LEU HB3 H 1.793 0.011 2 377 39 39 LEU HG H 1.806 0.009 1 378 39 39 LEU HD1 H 0.805 0.012 1 379 39 39 LEU HD2 H 0.797 0.01 1 380 39 39 LEU CA C 54.616 0.073 1 381 39 39 LEU CB C 42.13 0.06 1 382 39 39 LEU CG C 26.22 0.179 1 383 39 39 LEU CD1 C 26.412 0.081 1 384 39 39 LEU CD2 C 22.906 0.041 1 385 39 39 LEU N N 120.454 0.018 1 386 40 40 GLY H H 7.897 0.003 1 387 40 40 GLY HA2 H 4.246 0.007 1 388 40 40 GLY HA3 H 3.803 0.002 1 389 40 40 GLY CA C 45.615 0.018 1 390 40 40 GLY N N 107.378 0.022 1 391 41 41 GLN H H 7.883 0.005 1 392 41 41 GLN HA H 4.501 0.004 1 393 41 41 GLN HB2 H 2.157 0.005 2 394 41 41 GLN HB3 H 1.623 0.017 2 395 41 41 GLN HG2 H 2.225 0.015 1 396 41 41 GLN HG3 H 2.225 0.015 1 397 41 41 GLN HE21 H 7.333 0.001 1 398 41 41 GLN HE22 H 6.495 0.004 1 399 41 41 GLN CA C 54.318 0.094 1 400 41 41 GLN CB C 30.494 0.123 1 401 41 41 GLN CG C 33.735 0.095 1 402 41 41 GLN N N 118.33 0.026 1 403 41 41 GLN NE2 N 110.817 0.026 1 404 42 42 ASN H H 8.697 0.003 1 405 42 42 ASN HA H 5.212 0.011 1 406 42 42 ASN HB2 H 2.783 0.005 2 407 42 42 ASN HB3 H 2.517 0.004 2 408 42 42 ASN HD21 H 6.732 0.008 1 409 42 42 ASN HD22 H 7.528 0.003 1 410 42 42 ASN CA C 51.128 0.072 1 411 42 42 ASN CB C 39.171 0.004 1 412 42 42 ASN N N 116.488 0.036 1 413 42 42 ASN ND2 N 112.309 0.017 1 414 43 43 PRO HA H 4.784 0.013 1 415 43 43 PRO HB2 H 2.169 0.014 2 416 43 43 PRO HB3 H 1.968 0.01 2 417 43 43 PRO HG2 H 1.97 0.013 1 418 43 43 PRO HG3 H 2.115 0.000 1 419 43 43 PRO HD2 H 3.687 0.02 1 420 43 43 PRO HD3 H 3.207 0.011 1 421 43 43 PRO CA C 62.322 0.078 1 422 43 43 PRO CB C 32.278 0.074 1 423 43 43 PRO CG C 27.602 0.061 1 424 43 43 PRO CD C 49.976 0.062 1 425 44 44 THR H H 8.678 0.005 1 426 44 44 THR HA H 4.461 0.008 1 427 44 44 THR HB H 4.729 0.01 1 428 44 44 THR HG2 H 1.359 0.012 1 429 44 44 THR CA C 60.411 0.031 1 430 44 44 THR CB C 71.068 0.077 1 431 44 44 THR CG2 C 21.814 0.07 1 432 44 44 THR N N 112.452 0.026 1 433 45 45 GLU H H 8.803 0.006 1 434 45 45 GLU HA H 4.01 0.008 1 435 45 45 GLU HB2 H 2.04 0.001 1 436 45 45 GLU HB3 H 2.04 0.001 1 437 45 45 GLU HG2 H 2.331 0.002 1 438 45 45 GLU HG3 H 2.331 0.002 1 439 45 45 GLU CA C 59.883 0.107 1 440 45 45 GLU N N 120.954 0.055 1 441 46 46 ALA H H 8.272 0.004 1 442 46 46 ALA HA H 4.117 0.004 1 443 46 46 ALA HB H 1.407 0.012 1 444 46 46 ALA CA C 55.013 0.075 1 445 46 46 ALA CB C 18.173 0.063 1 446 46 46 ALA N N 120.643 0.026 1 447 47 47 GLU H H 7.686 0.002 1 448 47 47 GLU HA H 4.035 0.007 1 449 47 47 GLU HB2 H 1.929 0.008 2 450 47 47 GLU HB3 H 2.321 0.0 2 451 47 47 GLU HG2 H 2.331 0.011 1 452 47 47 GLU HG3 H 2.331 0.011 1 453 47 47 GLU CA C 59.163 0.05 1 454 47 47 GLU CB C 29.926 0.000 1 455 47 47 GLU CG C 37.07 0.000 1 456 47 47 GLU N N 119.059 0.036 1 457 48 48 LEU H H 8.036 0.006 1 458 48 48 LEU HA H 4.025 0.007 1 459 48 48 LEU HB2 H 2.158 0.016 1 460 48 48 LEU HB3 H 1.185 0.016 1 461 48 48 LEU HG H 1.804 0.000 1 462 48 48 LEU HD1 H 0.866 0.016 1 463 48 48 LEU HD2 H 0.822 0.011 1 464 48 48 LEU CA C 57.841 0.072 1 465 48 48 LEU CB C 42.43 0.067 1 466 48 48 LEU CD1 C 25.828 0.09 1 467 48 48 LEU CD2 C 23.992 0.065 1 468 48 48 LEU N N 119.848 0.054 1 469 49 49 GLN H H 8.323 0.006 1 470 49 49 GLN HA H 3.803 0.02 1 471 49 49 GLN HB2 H 2.217 0.008 2 472 49 49 GLN HB3 H 2.153 0.005 2 473 49 49 GLN HG2 H 2.44 0.013 2 474 49 49 GLN HG3 H 2.424 0.014 2 475 49 49 GLN HE21 H 7.555 0.004 1 476 49 49 GLN HE22 H 6.819 0.000 1 477 49 49 GLN CA C 58.561 0.081 1 478 49 49 GLN CB C 28.242 0.069 1 479 49 49 GLN CG C 34.113 0.052 1 480 49 49 GLN N N 118.226 0.036 1 481 49 49 GLN NE2 N 112.638 0.0 1 482 50 50 ASP H H 8.147 0.006 1 483 50 50 ASP HA H 4.398 0.019 1 484 50 50 ASP HB2 H 2.808 0.016 1 485 50 50 ASP HB3 H 2.667 0.011 1 486 50 50 ASP CA C 57.609 0.059 1 487 50 50 ASP CB C 40.633 0.136 1 488 50 50 ASP N N 119.928 0.036 1 489 51 51 MET H H 7.814 0.007 1 490 51 51 MET HA H 4.05 0.019 1 491 51 51 MET HB2 H 1.891 0.000 2 492 51 51 MET HB3 H 2.34 0.004 2 493 51 51 MET HG2 H 2.865 0.005 1 494 51 51 MET HE H 1.988 0.008 1 495 51 51 MET CA C 59.555 0.054 1 496 51 51 MET CB C 32.846 0.025 1 497 51 51 MET CE C 17.28 0.051 1 498 51 51 MET N N 117.796 0.062 1 499 52 52 ILE H H 7.685 0.003 1 500 52 52 ILE HA H 3.599 0.01 1 501 52 52 ILE HB H 2.003 0.013 1 502 52 52 ILE HG12 H 1.192 0.007 1 503 52 52 ILE HG13 H 1.577 0.008 1 504 52 52 ILE HG2 H 0.724 0.009 1 505 52 52 ILE HD1 H 0.697 0.009 1 506 52 52 ILE CA C 64.106 0.059 1 507 52 52 ILE CB C 37.059 0.065 1 508 52 52 ILE CG1 C 29.197 0.062 1 509 52 52 ILE CG2 C 16.151 0.057 1 510 52 52 ILE CD1 C 11.999 0.101 1 511 52 52 ILE N N 118.474 0.044 1 512 53 53 ASN H H 8.786 0.006 1 513 53 53 ASN HA H 4.417 0.009 1 514 53 53 ASN HB2 H 3.033 0.006 2 515 53 53 ASN HB3 H 2.883 0.009 2 516 53 53 ASN HD21 H 7.842 0.009 1 517 53 53 ASN HD22 H 6.968 0.004 1 518 53 53 ASN CA C 55.905 0.081 1 519 53 53 ASN CB C 37.991 0.067 1 520 53 53 ASN N N 118.591 0.024 1 521 53 53 ASN ND2 N 111.751 0.0 1 522 54 54 GLU H H 7.368 0.008 1 523 54 54 GLU HA H 4.048 0.01 1 524 54 54 GLU HB2 H 2.065 0.008 2 525 54 54 GLU HB3 H 2.229 0.011 2 526 54 54 GLU HG2 H 2.641 0.013 2 527 54 54 GLU HG3 H 2.252 0.003 2 528 54 54 GLU CA C 59.077 0.083 1 529 54 54 GLU CB C 30.925 0.059 1 530 54 54 GLU CG C 36.895 0.06 1 531 54 54 GLU N N 115.327 0.052 1 532 55 55 VAL H H 7.133 0.004 1 533 55 55 VAL HA H 4.227 0.005 1 534 55 55 VAL HB H 2.106 0.015 1 535 55 55 VAL HG1 H 0.832 0.009 1 536 55 55 VAL HG2 H 0.956 0.011 1 537 55 55 VAL CA C 60.832 0.06 1 538 55 55 VAL CB C 33.316 0.033 1 539 55 55 VAL CG1 C 22.849 0.1 1 540 55 55 VAL CG2 C 21.33 0.107 1 541 55 55 VAL N N 111.285 0.054 1 542 56 56 ASP H H 7.567 0.007 1 543 56 56 ASP HA H 4.468 0.007 1 544 56 56 ASP HB2 H 2.477 0.01 1 545 56 56 ASP HB3 H 2.721 0.014 1 546 56 56 ASP CA C 53.7 0.042 1 547 56 56 ASP CB C 40.583 0.085 1 548 56 56 ASP N N 121.291 0.023 1 549 57 57 ALA H H 8.064 0.007 1 550 57 57 ALA HA H 4.229 0.006 1 551 57 57 ALA HB H 1.546 0.014 1 552 57 57 ALA CA C 54.355 0.074 1 553 57 57 ALA CB C 19.695 0.083 1 554 57 57 ALA N N 131.432 0.02 1 555 58 58 ASP H H 8.211 0.004 1 556 58 58 ASP HA H 4.637 0.001 1 557 58 58 ASP HB2 H 3.05 0.006 2 558 58 58 ASP HB3 H 2.666 0.002 2 559 58 58 ASP CA C 52.768 0.021 1 560 58 58 ASP CB C 39.848 0.000 1 561 58 58 ASP N N 114.063 0.029 1 562 59 59 GLY H H 7.584 0.005 1 563 59 59 GLY HA2 H 3.768 0.006 1 564 59 59 GLY HA3 H 3.901 0.011 1 565 59 59 GLY CA C 47.2 0.052 1 566 59 59 GLY N N 108.646 0.023 1 567 60 60 ASN H H 8.162 0.003 1 568 60 60 ASN HA H 4.62 0.009 1 569 60 60 ASN HB2 H 3.296 0.008 2 570 60 60 ASN HB3 H 2.652 0.007 2 571 60 60 ASN HD21 H 6.91 0.003 1 572 60 60 ASN HD22 H 7.75 0.003 1 573 60 60 ASN CA C 52.677 0.074 1 574 60 60 ASN CB C 37.579 0.03 1 575 60 60 ASN N N 118.886 0.03 1 576 60 60 ASN ND2 N 115.133 0.013 1 577 61 61 GLY H H 10.568 0.003 1 578 61 61 GLY HA2 H 4.264 0.005 2 579 61 61 GLY HA3 H 3.479 0.002 2 580 61 61 GLY CA C 45.639 0.053 1 581 61 61 GLY N N 113.458 0.028 1 582 62 62 THR H H 7.643 0.003 1 583 62 62 THR HA H 4.8 0.019 1 584 62 62 THR HB H 4.005 0.009 1 585 62 62 THR HG2 H 1.142 0.008 1 586 62 62 THR CA C 59.327 0.045 1 587 62 62 THR CB C 72.409 0.06 1 588 62 62 THR CG2 C 22.358 0.048 1 589 62 62 THR N N 108.49 0.031 1 590 63 63 ILE H H 8.544 0.006 1 591 63 63 ILE HA H 5.214 0.012 1 592 63 63 ILE HB H 2.021 0.016 1 593 63 63 ILE HG12 H 1.15 0.006 2 594 63 63 ILE HG13 H 1.438 0.017 2 595 63 63 ILE HG2 H 1.228 0.007 1 596 63 63 ILE HD1 H 0.8 0.012 1 597 63 63 ILE CA C 59.051 0.064 1 598 63 63 ILE CB C 39.605 0.05 1 599 63 63 ILE CG1 C 27.319 0.081 1 600 63 63 ILE CG2 C 18.323 0.066 1 601 63 63 ILE CD1 C 13.172 0.092 1 602 63 63 ILE N N 123.35 0.04 1 603 64 64 ASP H H 8.902 0.006 1 604 64 64 ASP HA H 5.507 0.021 1 605 64 64 ASP HB2 H 3.137 0.007 1 606 64 64 ASP HB3 H 2.823 0.008 1 607 64 64 ASP CA C 51.985 0.116 1 608 64 64 ASP CB C 42.203 0.029 1 609 64 64 ASP N N 128.48 0.006 1 610 65 65 PHE H H 8.967 0.002 1 611 65 65 PHE HA H 3.979 0.028 1 612 65 65 PHE HB2 H 2.022 0.024 1 613 65 65 PHE HB3 H 2.801 0.008 1 614 65 65 PHE HD1 H 6.661 0.006 3 615 65 65 PHE HD2 H 6.661 0.006 3 616 65 65 PHE HE1 H 7.167 0.016 3 617 65 65 PHE HE2 H 7.167 0.016 3 618 65 65 PHE HZ H 7.333 0.012 1 619 65 65 PHE CA C 63.085 0.143 1 620 65 65 PHE CB C 35.902 0.057 1 621 65 65 PHE CD1 C 131.889 0.059 3 622 65 65 PHE CD2 C 131.889 0.059 3 623 65 65 PHE CE1 C 130.497 0.102 3 624 65 65 PHE CE2 C 130.497 0.102 3 625 65 65 PHE CZ C 129.612 0.08 1 626 65 65 PHE N N 118.622 0.016 1 627 66 66 PRO HA H 3.888 0.013 1 628 66 66 PRO HB2 H 2.218 0.02 2 629 66 66 PRO HB3 H 1.907 0.012 2 630 66 66 PRO HG2 H 1.881 0.011 2 631 66 66 PRO HG3 H 2.156 0.007 2 632 66 66 PRO HD2 H 3.751 0.008 2 633 66 66 PRO HD3 H 3.751 0.009 2 634 66 66 PRO CA C 66.85 0.072 1 635 66 66 PRO CB C 30.8 0.138 1 636 66 66 PRO CG C 28.428 0.065 1 637 66 66 PRO CD C 49.112 0.074 1 638 67 67 GLU H H 8.42 0.005 1 639 67 67 GLU HA H 3.965 0.005 1 640 67 67 GLU HB2 H 2.035 0.009 1 641 67 67 GLU HB3 H 2.647 0.001 1 642 67 67 GLU HG2 H 2.336 0.005 1 643 67 67 GLU HG3 H 3.029 0.015 1 644 67 67 GLU CA C 59.045 0.057 1 645 67 67 GLU CB C 29.874 0.107 1 646 67 67 GLU CG C 37.542 0.061 1 647 67 67 GLU N N 118.243 0.032 1 648 68 68 PHE H H 8.638 0.008 1 649 68 68 PHE HA H 3.785 0.015 1 650 68 68 PHE HB2 H 3.118 0.023 1 651 68 68 PHE HB3 H 3.466 0.011 1 652 68 68 PHE HD1 H 6.856 0.014 3 653 68 68 PHE HD2 H 6.856 0.014 3 654 68 68 PHE HE1 H 7.092 0.015 3 655 68 68 PHE HE2 H 7.092 0.015 3 656 68 68 PHE CA C 61.487 0.091 1 657 68 68 PHE CB C 40.782 0.143 1 658 68 68 PHE CD1 C 131.82 0.094 3 659 68 68 PHE CD2 C 131.82 0.094 3 660 68 68 PHE CE1 C 129.566 0.059 3 661 68 68 PHE CE2 C 129.566 0.059 3 662 68 68 PHE N N 124.02 0.053 1 663 69 69 LEU H H 8.972 0.005 1 664 69 69 LEU HA H 3.368 0.013 1 665 69 69 LEU HB2 H 1.254 0.012 2 666 69 69 LEU HB3 H 1.191 0.016 2 667 69 69 LEU HG H 1.032 0.014 1 668 69 69 LEU HD1 H 0.673 0.012 1 669 69 69 LEU HD2 H 0.703 0.016 1 670 69 69 LEU CA C 57.854 0.058 1 671 69 69 LEU CB C 41.385 0.078 1 672 69 69 LEU CG C 25.984 0.211 1 673 69 69 LEU CD1 C 25.277 0.116 1 674 69 69 LEU CD2 C 24.683 0.03 1 675 69 69 LEU N N 120.062 0.036 1 676 70 70 THR H H 7.855 0.004 1 677 70 70 THR HA H 3.697 0.009 1 678 70 70 THR HB H 4.124 0.016 1 679 70 70 THR HG2 H 1.173 0.008 1 680 70 70 THR CA C 66.558 0.072 1 681 70 70 THR CB C 68.396 0.069 1 682 70 70 THR CG2 C 21.681 0.046 1 683 70 70 THR N N 115.488 0.039 1 684 71 71 MET H H 7.155 0.007 1 685 71 71 MET HA H 3.757 0.014 1 686 71 71 MET HB2 H 1.644 0.000 1 687 71 71 MET HB3 H 2.037 0.001 1 688 71 71 MET HE H 1.287 0.006 1 689 71 71 MET CA C 58.334 0.135 1 690 71 71 MET CB C 30.736 0.000 1 691 71 71 MET CG C 31.356 0.000 1 692 71 71 MET CE C 16.805 0.091 1 693 71 71 MET N N 119.627 0.056 1 694 72 72 MET H H 7.646 0.006 1 695 72 72 MET HA H 3.977 0.007 1 696 72 72 MET HB2 H 1.022 0.018 1 697 72 72 MET HG2 H 1.625 0.007 2 698 72 72 MET HG3 H 1.322 0.013 2 699 72 72 MET HE H 1.593 0.009 1 700 72 72 MET CA C 55.138 0.126 1 701 72 72 MET CB C 29.103 0.087 1 702 72 72 MET CG C 31.433 0.155 1 703 72 72 MET CE C 15.922 0.049 1 704 72 72 MET N N 116.046 0.083 1 705 73 73 ALA H H 8.08 0.005 1 706 73 73 ALA HA H 4.182 0.007 1 707 73 73 ALA HB H 1.398 0.01 1 708 73 73 ALA CA C 53.1 0.023 1 709 73 73 ALA CB C 19.292 0.107 1 710 73 73 ALA N N 120.685 0.04 1 711 74 74 ARG H H 7.367 0.004 1 712 74 74 ARG HA H 4.188 0.003 1 713 74 74 ARG HB2 H 1.871 0.01 1 714 74 74 ARG HB3 H 1.871 0.01 1 715 74 74 ARG HG2 H 1.742 0.022 2 716 74 74 ARG HG3 H 1.634 0.013 2 717 74 74 ARG HD2 H 3.169 0.016 1 718 74 74 ARG HD3 H 3.169 0.016 1 719 74 74 ARG HE H 7.217 0.001 1 720 74 74 ARG CA C 56.977 0.094 1 721 74 74 ARG CB C 30.517 0.057 1 722 74 74 ARG CG C 27.343 0.073 1 723 74 74 ARG CD C 43.476 0.04 1 724 74 74 ARG N N 118.501 0.031 1 725 74 74 ARG NE N 84.994 0.008 1 726 76 76 MET HA H 4.413 0.01 1 727 76 76 MET HB2 H 2.013 0.019 2 728 76 76 MET HB3 H 2.067 0.015 2 729 76 76 MET HG2 H 2.569 0.009 2 730 76 76 MET HG3 H 2.507 0.004 2 731 76 76 MET HE H 2.028 0.008 1 732 76 76 MET CA C 55.804 0.096 1 733 76 76 MET CB C 33.291 0.056 1 734 76 76 MET CG C 32.13 0.065 1 735 76 76 MET CE C 17.199 0.019 1 736 77 77 LYS H H 8.253 0.006 1 737 77 77 LYS HA H 4.321 0.02 1 738 77 77 LYS HB2 H 1.8 0.007 2 739 77 77 LYS HB3 H 1.675 0.005 2 740 77 77 LYS HG2 H 1.387 0.02 1 741 77 77 LYS HG3 H 1.387 0.02 1 742 77 77 LYS HD2 H 1.668 0.000 1 743 77 77 LYS HD3 H 1.668 0.000 1 744 77 77 LYS HE2 H 3.023 0.000 1 745 77 77 LYS HE3 H 3.023 0.000 1 746 77 77 LYS CA C 56.418 0.068 1 747 77 77 LYS CB C 33.251 0.000 1 748 77 77 LYS CG C 24.7 0.019 1 749 77 77 LYS CD C 28.95 0.000 1 750 77 77 LYS CE C 41.947 0.000 1 751 77 77 LYS N N 121.563 0.05 1 752 78 78 ASP H H 8.362 0.003 1 753 78 78 ASP HA H 4.618 0.001 1 754 78 78 ASP HB2 H 2.74 0.003 2 755 78 78 ASP HB3 H 2.623 0.001 2 756 78 78 ASP CA C 54.855 0.007 1 757 78 78 ASP CB C 41.116 0.000 1 758 78 78 ASP N N 121.953 0.051 1 759 79 79 THR H H 8.014 0.005 1 760 79 79 THR HA H 4.305 0.011 1 761 79 79 THR HB H 4.264 0.000 1 762 79 79 THR HG2 H 1.208 0.009 1 763 79 79 THR CA C 62.124 0.075 1 764 79 79 THR CB C 69.634 0.021 1 765 79 79 THR CG2 C 21.634 0.079 1 766 79 79 THR N N 113.276 0.021 1 767 80 80 ASP H H 8.316 0.001 1 768 80 80 ASP HA H 4.675 0.019 1 769 80 80 ASP HB2 H 2.718 0.003 1 770 80 80 ASP HB3 H 2.718 0.003 1 771 80 80 ASP CA C 54.655 0.068 1 772 80 80 ASP CB C 41.424 0.000 1 773 80 80 ASP N N 122.85 0.038 1 774 81 81 SER H H 8.391 0.001 1 775 81 81 SER HA H 4.429 0.016 1 776 81 81 SER HB2 H 4.044 0.001 2 777 81 81 SER HB3 H 3.952 0.004 2 778 81 81 SER CA C 59.337 0.112 1 779 81 81 SER CB C 63.672 0.009 1 780 81 81 SER N N 116.864 0.033 1 781 82 82 GLU H H 8.479 0.003 1 782 82 82 GLU HA H 4.073 0.014 1 783 82 82 GLU HB2 H 2.111 0.011 2 784 82 82 GLU HB3 H 2.111 0.011 2 785 82 82 GLU HG2 H 2.346 0.000 1 786 82 82 GLU HG3 H 2.346 0.000 1 787 82 82 GLU CA C 59.179 0.06 1 788 82 82 GLU CB C 29.512 0.065 1 789 82 82 GLU CG C 36.654 0.000 1 790 82 82 GLU N N 122.561 0.036 1 791 83 83 GLU H H 8.279 0.009 1 792 83 83 GLU HA H 4.044 0.005 1 793 83 83 GLU HB2 H 2.088 0.01 1 794 83 83 GLU HB3 H 2.088 0.01 1 795 83 83 GLU HG2 H 2.336 0.001 1 796 83 83 GLU HG3 H 2.336 0.001 1 797 83 83 GLU CA C 59.647 0.091 1 798 83 83 GLU CB C 29.531 0.007 1 799 83 83 GLU CG C 36.342 0.000 1 800 83 83 GLU N N 119.348 0.032 1 801 84 84 GLU H H 8.062 0.009 1 802 84 84 GLU HA H 4.113 0.002 1 803 84 84 GLU HB2 H 2.12 0.008 2 804 84 84 GLU HB3 H 2.191 0.003 2 805 84 84 GLU HG2 H 2.347 0.006 1 806 84 84 GLU HG3 H 2.347 0.006 1 807 84 84 GLU CA C 59.477 0.000 1 808 84 84 GLU CB C 29.669 0.086 1 809 84 84 GLU CG C 36.537 0.000 1 810 84 84 GLU N N 118.81 0.046 1 811 85 85 ILE H H 8.008 0.009 1 812 85 85 ILE HA H 3.918 0.013 1 813 85 85 ILE HB H 2.175 0.006 1 814 85 85 ILE HG12 H 0.985 0.017 2 815 85 85 ILE HG13 H 1.857 0.005 2 816 85 85 ILE HG2 H 1.117 0.014 1 817 85 85 ILE HD1 H 0.773 0.011 1 818 85 85 ILE CA C 65.327 0.049 1 819 85 85 ILE CB C 37.428 0.065 1 820 85 85 ILE CG1 C 29.575 0.072 1 821 85 85 ILE CG2 C 19.136 0.076 1 822 85 85 ILE CD1 C 13.35 0.068 1 823 85 85 ILE N N 122.019 0.013 1 824 86 86 ARG H H 8.446 0.003 1 825 86 86 ARG HA H 4.166 0.011 1 826 86 86 ARG HB2 H 1.86 0.007 2 827 86 86 ARG HB3 H 2.073 0.003 2 828 86 86 ARG HG2 H 1.687 0.006 2 829 86 86 ARG HG3 H 1.567 0.009 2 830 86 86 ARG HD2 H 2.977 0.011 2 831 86 86 ARG HD3 H 2.977 0.011 2 832 86 86 ARG HE H 7.151 0.002 1 833 86 86 ARG CA C 60.026 0.097 1 834 86 86 ARG CB C 29.967 0.035 1 835 86 86 ARG CG C 27.474 0.037 1 836 86 86 ARG CD C 42.922 0.097 1 837 86 86 ARG N N 121.851 0.045 1 838 86 86 ARG NE N 84.236 0.015 1 839 87 87 GLU H H 8.149 0.005 1 840 87 87 GLU HA H 4.11 0.005 1 841 87 87 GLU HB2 H 2.086 0.007 1 842 87 87 GLU HB3 H 2.086 0.007 1 843 87 87 GLU HG2 H 2.348 0.001 1 844 87 87 GLU HG3 H 2.348 0.001 1 845 87 87 GLU CA C 59.107 0.065 1 846 87 87 GLU CB C 29.426 0.000 1 847 87 87 GLU CG C 36.05 0.000 1 848 87 87 GLU N N 118.621 0.031 1 849 88 88 ALA H H 7.88 0.005 1 850 88 88 ALA HA H 4.025 0.007 1 851 88 88 ALA HB H 1.694 0.018 1 852 88 88 ALA CA C 54.986 0.07 1 853 88 88 ALA CB C 17.724 0.058 1 854 88 88 ALA N N 121.741 0.032 1 855 89 89 PHE H H 8.463 0.004 1 856 89 89 PHE HA H 3.149 0.015 1 857 89 89 PHE HB2 H 3.039 0.013 1 858 89 89 PHE HB3 H 3.197 0.021 1 859 89 89 PHE HD1 H 6.615 0.012 3 860 89 89 PHE HD2 H 6.615 0.012 3 861 89 89 PHE HE1 H 7.01 0.008 3 862 89 89 PHE HE2 H 7.01 0.008 3 863 89 89 PHE HZ H 7.086 0.003 1 864 89 89 PHE CA C 62.366 0.093 1 865 89 89 PHE CB C 39.337 0.095 1 866 89 89 PHE CD1 C 131.684 0.051 3 867 89 89 PHE CD2 C 131.684 0.051 3 868 89 89 PHE CE1 C 131.298 0.099 3 869 89 89 PHE CE2 C 131.298 0.099 3 870 89 89 PHE CZ C 129.216 0.018 1 871 89 89 PHE N N 118.057 0.041 1 872 90 90 ARG H H 7.775 0.008 1 873 90 90 ARG HA H 3.892 0.008 1 874 90 90 ARG HB2 H 1.927 0.004 1 875 90 90 ARG HB3 H 1.927 0.004 1 876 90 90 ARG HG2 H 1.674 0.006 1 877 90 90 ARG HG3 H 1.674 0.006 1 878 90 90 ARG HD2 H 3.218 0.01 2 879 90 90 ARG HD3 H 3.218 0.01 2 880 90 90 ARG HE H 7.408 0.002 1 881 90 90 ARG CA C 58.888 0.049 1 882 90 90 ARG CB C 30.406 0.000 1 883 90 90 ARG CG C 27.89 0.000 1 884 90 90 ARG CD C 43.484 0.083 1 885 90 90 ARG N N 115.723 0.033 1 886 90 90 ARG NE N 84.488 0.016 1 887 91 91 VAL H H 7.484 0.004 1 888 91 91 VAL HA H 3.524 0.009 1 889 91 91 VAL HB H 2.144 0.008 1 890 91 91 VAL HG1 H 0.768 0.012 1 891 91 91 VAL HG2 H 1.024 0.009 1 892 91 91 VAL CA C 65.596 0.111 1 893 91 91 VAL CB C 31.544 0.049 1 894 91 91 VAL CG1 C 21.103 0.069 1 895 91 91 VAL CG2 C 22.775 0.038 1 896 91 91 VAL N N 118.161 0.03 1 897 92 92 PHE H H 7.544 0.004 1 898 92 92 PHE HA H 4.278 0.018 1 899 92 92 PHE HB2 H 2.711 0.009 1 900 92 92 PHE HB3 H 2.711 0.009 1 901 92 92 PHE HD1 H 7.194 0.017 3 902 92 92 PHE HD2 H 7.194 0.017 3 903 92 92 PHE HE1 H 7.36 0.002 3 904 92 92 PHE HE2 H 7.36 0.002 3 905 92 92 PHE HZ H 7.282 0.004 1 906 92 92 PHE CA C 58.681 0.078 1 907 92 92 PHE CB C 39.854 0.102 1 908 92 92 PHE CD1 C 131.158 0.08 3 909 92 92 PHE CD2 C 131.158 0.08 3 910 92 92 PHE CE1 C 130.812 0.084 3 911 92 92 PHE CE2 C 130.812 0.084 3 912 92 92 PHE CZ C 129.731 0.000 1 913 92 92 PHE N N 117.398 0.021 1 914 93 93 ASP H H 7.963 0.006 1 915 93 93 ASP HA H 4.541 0.015 1 916 93 93 ASP HB2 H 1.341 0.013 1 917 93 93 ASP HB3 H 2.326 0.02 1 918 93 93 ASP CA C 52.182 0.047 1 919 93 93 ASP CB C 38.427 0.096 1 920 93 93 ASP N N 117.503 0.036 1 921 94 94 LYS H H 7.585 0.004 1 922 94 94 LYS HA H 3.906 0.004 1 923 94 94 LYS HB2 H 1.829 0.002 1 924 94 94 LYS HB3 H 1.829 0.002 1 925 94 94 LYS HG2 H 1.476 0.012 1 926 94 94 LYS HG3 H 1.476 0.012 1 927 94 94 LYS HD2 H 1.659 0.008 1 928 94 94 LYS HD3 H 1.659 0.008 1 929 94 94 LYS HE2 H 2.832 0.001 1 930 94 94 LYS HE3 H 2.832 0.001 1 931 94 94 LYS CA C 59.062 0.116 1 932 94 94 LYS CB C 33.033 0.000 1 933 94 94 LYS CG C 24.371 0.134 1 934 94 94 LYS CD C 28.244 0.002 1 935 94 94 LYS CE C 41.41 0.022 1 936 94 94 LYS N N 125.976 0.025 1 937 95 95 ASP H H 8.186 0.006 1 938 95 95 ASP HA H 4.554 0.002 1 939 95 95 ASP HB2 H 3.078 0.0 2 940 95 95 ASP HB3 H 2.647 0.0 2 941 95 95 ASP CA C 53.066 0.064 1 942 95 95 ASP CB C 39.749 0.097 1 943 95 95 ASP N N 114.1 0.031 1 944 96 96 GLY H H 7.809 0.004 1 945 96 96 GLY HA2 H 3.827 0.004 1 946 96 96 GLY HA3 H 3.827 0.004 1 947 96 96 GLY CA C 47.148 0.021 1 948 96 96 GLY N N 109.383 0.032 1 949 97 97 ASN H H 8.336 0.003 1 950 97 97 ASN HA H 4.646 0.006 1 951 97 97 ASN HB2 H 3.421 0.005 1 952 97 97 ASN HB3 H 2.657 0.001 1 953 97 97 ASN HD21 H 8.07 0.002 1 954 97 97 ASN HD22 H 7.433 0.003 1 955 97 97 ASN CA C 52.655 0.043 1 956 97 97 ASN CB C 38.189 0.069 1 957 97 97 ASN N N 119.744 0.035 1 958 97 97 ASN ND2 N 116.756 0.003 1 959 98 98 GLY H H 10.653 0.003 1 960 98 98 GLY HA2 H 4.071 0.003 2 961 98 98 GLY HA3 H 3.442 0.002 2 962 98 98 GLY CA C 45.032 0.068 1 963 98 98 GLY N N 112.937 0.032 1 964 99 99 TYR H H 7.63 0.002 1 965 99 99 TYR HA H 5.061 0.013 1 966 99 99 TYR HB2 H 2.512 0.008 1 967 99 99 TYR HB3 H 2.518 0.014 1 968 99 99 TYR HD1 H 6.76 0.011 3 969 99 99 TYR HD2 H 6.76 0.011 3 970 99 99 TYR HE1 H 6.932 0.007 3 971 99 99 TYR HE2 H 6.932 0.007 3 972 99 99 TYR CA C 56.189 0.093 1 973 99 99 TYR CB C 43.044 0.048 1 974 99 99 TYR CD1 C 133.43 0.047 3 975 99 99 TYR CD2 C 133.43 0.047 3 976 99 99 TYR CE1 C 118.138 0.059 3 977 99 99 TYR CE2 C 118.138 0.059 3 978 99 99 TYR N N 115.956 0.029 1 979 100 100 ILE H H 10.174 0.004 1 980 100 100 ILE HA H 4.784 0.011 1 981 100 100 ILE HB H 1.957 0.022 1 982 100 100 ILE HG12 H 0.289 0.013 1 983 100 100 ILE HG13 H 1.344 0.012 1 984 100 100 ILE HG2 H 1.001 0.011 1 985 100 100 ILE HD1 H 0.468 0.015 1 986 100 100 ILE CA C 61.019 0.057 1 987 100 100 ILE CB C 38.985 0.112 1 988 100 100 ILE CG1 C 27.05 0.064 1 989 100 100 ILE CG2 C 17.776 0.054 1 990 100 100 ILE CD1 C 15.542 0.082 1 991 100 100 ILE N N 127.36 0.012 1 992 101 101 SER H H 8.977 0.004 1 993 101 101 SER HA H 4.885 0.014 1 994 101 101 SER HB2 H 4.442 0.003 1 995 101 101 SER HB3 H 3.999 0.002 1 996 101 101 SER HG H 5.813 0.002 1 997 101 101 SER CA C 55.722 0.072 1 998 101 101 SER CB C 66.631 0.023 1 999 101 101 SER N N 124.117 0.05 1 1000 102 102 ALA H H 9.261 0.005 1 1001 102 102 ALA HA H 3.924 0.01 1 1002 102 102 ALA HB H 1.492 0.011 1 1003 102 102 ALA CA C 55.954 0.069 1 1004 102 102 ALA CB C 17.891 0.037 1 1005 102 102 ALA N N 123.057 0.033 1 1006 103 103 ALA H H 8.271 0.004 1 1007 103 103 ALA HA H 4.024 0.016 1 1008 103 103 ALA HB H 1.422 0.005 1 1009 103 103 ALA CA C 55.219 0.051 1 1010 103 103 ALA CB C 18.315 0.021 1 1011 103 103 ALA N N 118.685 0.032 1 1012 104 104 GLU H H 7.857 0.006 1 1013 104 104 GLU HA H 4.037 0.009 1 1014 104 104 GLU HB2 H 2.533 0.001 1 1015 104 104 GLU HB3 H 2.533 0.001 1 1016 104 104 GLU HG2 H 2.33 0.011 1 1017 104 104 GLU HG3 H 2.527 0.008 1 1018 104 104 GLU CA C 59.25 0.082 1 1019 104 104 GLU CB C 29.216 0.000 1 1020 104 104 GLU N N 119.737 0.039 1 1021 105 105 LEU H H 8.685 0.005 1 1022 105 105 LEU HA H 4.036 0.023 1 1023 105 105 LEU HB2 H 1.475 0.006 1 1024 105 105 LEU HB3 H 1.847 0.011 1 1025 105 105 LEU HG H 1.442 0.014 1 1026 105 105 LEU HD1 H 0.978 0.006 1 1027 105 105 LEU HD2 H 0.756 0.008 1 1028 105 105 LEU CA C 58.052 0.043 1 1029 105 105 LEU CB C 42.114 0.031 1 1030 105 105 LEU CG C 26.845 0.044 1 1031 105 105 LEU CD1 C 23.854 0.047 1 1032 105 105 LEU CD2 C 26.33 0.099 1 1033 105 105 LEU N N 122.037 0.036 1 1034 106 106 ARG H H 8.682 0.009 1 1035 106 106 ARG HA H 3.708 0.009 1 1036 106 106 ARG HB2 H 1.946 0.012 1 1037 106 106 ARG HB3 H 1.946 0.012 1 1038 106 106 ARG HG2 H 1.589 0.015 2 1039 106 106 ARG HG3 H 1.589 0.015 2 1040 106 106 ARG HD2 H 3.174 0.016 2 1041 106 106 ARG HD3 H 3.221 0.024 2 1042 106 106 ARG HE H 7.261 0.005 1 1043 106 106 ARG CA C 60.03 0.089 1 1044 106 106 ARG CB C 30.317 0.028 1 1045 106 106 ARG CG C 27.805 0.093 1 1046 106 106 ARG CD C 43.558 0.038 1 1047 106 106 ARG N N 118.484 0.078 1 1048 106 106 ARG NE N 84.606 0.03 1 1049 107 107 HIS H H 7.803 0.005 1 1050 107 107 HIS HA H 4.296 0.006 1 1051 107 107 HIS HB2 H 3.241 0.018 2 1052 107 107 HIS HB3 H 3.306 0.019 2 1053 107 107 HIS HD2 H 6.923 0.008 1 1054 107 107 HIS CA C 59.842 0.031 1 1055 107 107 HIS CB C 30.576 0.07 1 1056 107 107 HIS CD2 C 120.32 0.112 1 1057 107 107 HIS N N 118.917 0.105 1 1058 108 108 VAL H H 7.887 0.011 1 1059 108 108 VAL HA H 3.458 0.008 1 1060 108 108 VAL HB H 1.94 0.013 1 1061 108 108 VAL HG1 H 0.29 0.016 1 1062 108 108 VAL HG2 H 0.773 0.014 1 1063 108 108 VAL CA C 66.452 0.08 1 1064 108 108 VAL CB C 31.593 0.07 1 1065 108 108 VAL CG1 C 20.636 0.031 1 1066 108 108 VAL CG2 C 23.212 0.056 1 1067 108 108 VAL N N 119.662 0.065 1 1068 109 109 MET H H 8.128 0.006 1 1069 109 109 MET HA H 4.296 0.007 1 1070 109 109 MET HB2 H 1.891 0.007 2 1071 109 109 MET HB3 H 2.073 0.001 2 1072 109 109 MET HG2 H 2.58 0.012 2 1073 109 109 MET HG3 H 2.381 0.006 2 1074 109 109 MET HE H 1.798 0.003 1 1075 109 109 MET CA C 57.062 0.106 1 1076 109 109 MET CG C 32.335 0.05 1 1077 109 109 MET CE C 16.56 0.022 1 1078 109 109 MET N N 115.981 0.056 1 1079 110 110 THR H H 8.302 0.007 1 1080 110 110 THR HA H 4.08 0.008 1 1081 110 110 THR HB H 4.287 0.004 1 1082 110 110 THR HG2 H 1.22 0.005 1 1083 110 110 THR CA C 66.402 0.051 1 1084 110 110 THR CB C 68.574 0.133 1 1085 110 110 THR CG2 C 21.539 0.043 1 1086 110 110 THR N N 116.866 0.026 1 1087 111 111 ASN H H 7.849 0.008 1 1088 111 111 ASN HA H 4.445 0.007 1 1089 111 111 ASN HB2 H 2.812 0.012 2 1090 111 111 ASN HB3 H 2.818 0.003 2 1091 111 111 ASN HD21 H 7.426 0.004 1 1092 111 111 ASN HD22 H 6.515 0.005 1 1093 111 111 ASN CA C 55.811 0.035 1 1094 111 111 ASN CB C 37.975 0.075 1 1095 111 111 ASN N N 122.811 0.033 1 1096 111 111 ASN ND2 N 111.25 0.026 1 1097 112 112 LEU H H 7.666 0.006 1 1098 112 112 LEU HA H 4.345 0.013 1 1099 112 112 LEU HB2 H 1.843 0.006 2 1100 112 112 LEU HB3 H 1.846 0.01 2 1101 112 112 LEU HG H 1.826 0.01 1 1102 112 112 LEU HD1 H 0.791 0.009 1 1103 112 112 LEU HD2 H 0.818 0.01 1 1104 112 112 LEU CA C 55.091 0.093 1 1105 112 112 LEU CB C 42.08 0.043 1 1106 112 112 LEU CG C 26.438 0.064 1 1107 112 112 LEU CD1 C 25.911 0.107 1 1108 112 112 LEU CD2 C 22.892 0.071 1 1109 112 112 LEU N N 118.869 0.021 1 1110 113 113 GLY H H 7.818 0.004 1 1111 113 113 GLY HA2 H 3.712 0.001 2 1112 113 113 GLY HA3 H 4.241 0.004 2 1113 113 113 GLY CA C 45.416 0.013 1 1114 113 113 GLY N N 107.124 0.07 1 1115 114 114 GLU H H 7.895 0.002 1 1116 114 114 GLU HA H 4.427 0.01 1 1117 114 114 GLU HB2 H 1.872 0.013 2 1118 114 114 GLU HB3 H 1.627 0.015 2 1119 114 114 GLU HG2 H 2.013 0.009 2 1120 114 114 GLU HG3 H 2.013 0.009 2 1121 114 114 GLU CA C 54.596 0.041 1 1122 114 114 GLU CB C 30.71 0.074 1 1123 114 114 GLU CG C 35.288 0.075 1 1124 114 114 GLU N N 120.113 0.018 1 1125 115 115 LYS H H 8.583 0.003 1 1126 115 115 LYS HA H 4.38 0.006 1 1127 115 115 LYS HB2 H 1.736 0.014 2 1128 115 115 LYS HB3 H 1.647 0.013 2 1129 115 115 LYS HG2 H 1.337 0.013 1 1130 115 115 LYS HG3 H 1.337 0.013 1 1131 115 115 LYS HD2 H 1.645 0.000 1 1132 115 115 LYS HD3 H 1.645 0.000 1 1133 115 115 LYS HE2 H 2.959 0.000 2 1134 115 115 LYS HE3 H 2.95 0.000 2 1135 115 115 LYS CA C 55.393 0.083 1 1136 115 115 LYS CB C 32.045 0.05 1 1137 115 115 LYS CG C 24.7 0.018 1 1138 115 115 LYS CD C 29.245 0.001 1 1139 115 115 LYS N N 124.92 0.042 1 1140 116 116 LEU H H 8.082 0.005 1 1141 116 116 LEU HA H 4.767 0.016 1 1142 116 116 LEU HB2 H 1.451 0.011 1 1143 116 116 LEU HB3 H 1.584 0.009 1 1144 116 116 LEU HG H 1.572 0.004 1 1145 116 116 LEU HD1 H 0.701 0.006 1 1146 116 116 LEU HD2 H 0.729 0.012 1 1147 116 116 LEU CA C 54.081 0.05 1 1148 116 116 LEU CB C 44.532 0.097 1 1149 116 116 LEU CG C 27.641 0.034 1 1150 116 116 LEU CD1 C 27.278 0.072 1 1151 116 116 LEU CD2 C 24.373 0.056 1 1152 116 116 LEU N N 124.979 0.042 1 1153 117 117 THR H H 9.172 0.007 1 1154 117 117 THR HA H 4.452 0.009 1 1155 117 117 THR HB H 4.737 0.007 1 1156 117 117 THR HG2 H 1.317 0.013 1 1157 117 117 THR CA C 60.69 0.0 1 1158 117 117 THR CB C 71.051 0.055 1 1159 117 117 THR CG2 C 21.805 0.039 1 1160 117 117 THR N N 114.448 0.033 1 1161 118 118 ASP H H 8.889 0.003 1 1162 118 118 ASP HA H 4.213 0.014 1 1163 118 118 ASP HB2 H 2.569 0.001 1 1164 118 118 ASP HB3 H 2.739 0.008 1 1165 118 118 ASP CA C 57.992 0.07 1 1166 118 118 ASP CB C 39.67 0.04 1 1167 118 118 ASP N N 121.175 0.029 1 1168 119 119 GLU H H 8.665 0.003 1 1169 119 119 GLU HA H 4.088 0.005 1 1170 119 119 GLU HB2 H 2.053 0.0 1 1171 119 119 GLU HB3 H 1.934 0.003 1 1172 119 119 GLU HG2 H 2.391 0.000 2 1173 119 119 GLU HG3 H 2.337 0.000 2 1174 119 119 GLU CA C 60.013 0.044 1 1175 119 119 GLU CB C 29.172 0.000 1 1176 119 119 GLU N N 119.386 0.036 1 1177 120 120 GLU H H 7.715 0.007 1 1178 120 120 GLU HA H 3.982 0.004 1 1179 120 120 GLU HB2 H 2.4 0.011 1 1180 120 120 GLU HB3 H 1.789 0.013 1 1181 120 120 GLU HG2 H 2.202 0.004 1 1182 120 120 GLU HG3 H 2.202 0.004 1 1183 120 120 GLU CA C 59.252 0.079 1 1184 120 120 GLU CB C 30.76 0.083 1 1185 120 120 GLU CG C 38.149 0.122 1 1186 120 120 GLU N N 120.564 0.038 1 1187 121 121 VAL H H 8.05 0.009 1 1188 121 121 VAL HA H 3.456 0.013 1 1189 121 121 VAL HB H 2.208 0.011 1 1190 121 121 VAL HG1 H 1.02 0.014 1 1191 121 121 VAL HG2 H 0.917 0.014 1 1192 121 121 VAL CA C 66.881 0.065 1 1193 121 121 VAL CB C 31.33 0.078 1 1194 121 121 VAL CG1 C 22.424 0.075 1 1195 121 121 VAL CG2 C 23.747 0.092 1 1196 121 121 VAL N N 120.955 0.051 1 1197 122 122 ASP H H 7.98 0.011 1 1198 122 122 ASP HA H 4.363 0.009 1 1199 122 122 ASP HB2 H 2.785 0.01 1 1200 122 122 ASP HB3 H 2.643 0.003 1 1201 122 122 ASP CA C 57.714 0.082 1 1202 122 122 ASP CB C 40.453 0.04 1 1203 122 122 ASP N N 120.016 0.039 1 1204 123 123 GLU H H 8.033 0.006 1 1205 123 123 GLU HA H 4.045 0.000 1 1206 123 123 GLU HB2 H 2.106 0.005 1 1207 123 123 GLU HB3 H 2.106 0.005 1 1208 123 123 GLU HG2 H 2.355 0.000 1 1209 123 123 GLU HG3 H 2.355 0.000 1 1210 123 123 GLU CA C 59.305 0.019 1 1211 123 123 GLU CB C 29.279 0.000 1 1212 123 123 GLU N N 119.913 0.03 1 1213 124 124 MET H H 7.93 0.009 1 1214 124 124 MET HA H 4.175 0.011 1 1215 124 124 MET HB2 H 2.161 0.008 1 1216 124 124 MET HG2 H 2.469 0.02 1 1217 124 124 MET HE H 0.66 0.011 1 1218 124 124 MET CA C 60.42 0.045 1 1219 124 124 MET CB C 33.408 0.101 1 1220 124 124 MET CG C 33.441 0.009 1 1221 124 124 MET CE C 15.7 0.047 1 1222 124 124 MET N N 119.642 0.044 1 1223 125 125 ILE H H 8.147 0.004 1 1224 125 125 ILE HA H 3.709 0.012 1 1225 125 125 ILE HB H 2.284 0.012 1 1226 125 125 ILE HG12 H 1.662 0.011 1 1227 125 125 ILE HG13 H 1.366 0.013 1 1228 125 125 ILE HG2 H 0.758 0.011 1 1229 125 125 ILE HD1 H 0.797 0.012 1 1230 125 125 ILE CA C 64.339 0.082 1 1231 125 125 ILE CB C 36.335 0.081 1 1232 125 125 ILE CG1 C 28.441 0.096 1 1233 125 125 ILE CG2 C 16.327 0.053 1 1234 125 125 ILE CD1 C 10.848 0.06 1 1235 125 125 ILE N N 119.663 0.038 1 1236 126 126 ARG H H 8.431 0.005 1 1237 126 126 ARG HA H 4.072 0.004 1 1238 126 126 ARG HB2 H 1.951 0.007 2 1239 126 126 ARG HB3 H 1.95 0.006 2 1240 126 126 ARG HG2 H 1.838 0.012 2 1241 126 126 ARG HG3 H 1.671 0.005 2 1242 126 126 ARG HD2 H 3.233 0.003 1 1243 126 126 ARG HD3 H 3.233 0.003 1 1244 126 126 ARG HE H 7.562 0.003 1 1245 126 126 ARG CA C 59.828 0.112 1 1246 126 126 ARG CB C 30.331 0.000 1 1247 126 126 ARG CG C 27.871 0.000 1 1248 126 126 ARG CD C 43.466 0.097 1 1249 126 126 ARG N N 118.998 0.062 1 1250 126 126 ARG NE N 84.602 0.005 1 1251 127 127 GLU H H 7.899 0.003 1 1252 127 127 GLU HA H 3.984 0.002 1 1253 127 127 GLU HB2 H 2.116 0.006 2 1254 127 127 GLU HB3 H 2.338 0.019 2 1255 127 127 GLU HG2 H 2.632 0.011 2 1256 127 127 GLU HG3 H 2.426 0.004 2 1257 127 127 GLU CA C 58.805 0.076 1 1258 127 127 GLU CB C 29.806 0.13 1 1259 127 127 GLU CG C 35.989 0.159 1 1260 127 127 GLU N N 116.058 0.059 1 1261 128 128 ALA H H 7.222 0.003 1 1262 128 128 ALA HA H 4.453 0.004 1 1263 128 128 ALA HB H 1.208 0.011 1 1264 128 128 ALA CA C 51.72 0.063 1 1265 128 128 ALA CB C 22.386 0.07 1 1266 128 128 ALA N N 117.702 0.034 1 1267 129 129 ASP H H 7.947 0.004 1 1268 129 129 ASP HA H 4.497 0.005 1 1269 129 129 ASP HB2 H 2.836 0.01 2 1270 129 129 ASP HB3 H 2.564 0.007 2 1271 129 129 ASP CA C 54.336 0.141 1 1272 129 129 ASP CB C 40.682 0.112 1 1273 129 129 ASP N N 117.996 0.031 1 1274 130 130 ILE H H 8.399 0.005 1 1275 130 130 ILE HA H 3.908 0.005 1 1276 130 130 ILE HB H 1.965 0.011 1 1277 130 130 ILE HG12 H 1.251 0.016 1 1278 130 130 ILE HG13 H 1.668 0.011 1 1279 130 130 ILE HG2 H 0.918 0.015 1 1280 130 130 ILE HD1 H 0.878 0.015 1 1281 130 130 ILE CA C 63.433 0.039 1 1282 130 130 ILE CB C 38.738 0.048 1 1283 130 130 ILE CG1 C 27.832 0.079 1 1284 130 130 ILE CG2 C 17.26 0.095 1 1285 130 130 ILE CD1 C 12.55 0.116 1 1286 130 130 ILE N N 128.199 0.047 1 1287 131 131 ASP H H 8.258 0.004 1 1288 131 131 ASP HA H 4.513 0.004 1 1289 131 131 ASP HB2 H 3.072 0.004 2 1290 131 131 ASP HB3 H 2.628 0.002 2 1291 131 131 ASP CA C 53.828 0.06 1 1292 131 131 ASP CB C 39.989 0.000 1 1293 131 131 ASP N N 116.628 0.04 1 1294 132 132 GLY H H 7.559 0.005 1 1295 132 132 GLY HA2 H 3.808 0.004 1 1296 132 132 GLY HA3 H 3.984 0.022 1 1297 132 132 GLY CA C 47.527 0.022 1 1298 132 132 GLY N N 108.616 0.026 1 1299 133 133 ASP H H 8.34 0.001 1 1300 133 133 ASP HA H 4.478 0.001 1 1301 133 133 ASP HB2 H 2.497 0.008 1 1302 133 133 ASP HB3 H 2.946 0.012 1 1303 133 133 ASP CA C 53.653 0.009 1 1304 133 133 ASP CB C 40.271 0.000 1 1305 133 133 ASP N N 120.901 0.031 1 1306 134 134 GLY H H 10.366 0.003 1 1307 134 134 GLY HA2 H 3.436 0.019 1 1308 134 134 GLY HA3 H 4.038 0.009 1 1309 134 134 GLY CA C 45.868 0.11 1 1310 134 134 GLY N N 112.918 0.036 1 1311 135 135 GLN H H 8.012 0.002 1 1312 135 135 GLN HA H 4.917 0.012 1 1313 135 135 GLN HB2 H 1.758 0.012 1 1314 135 135 GLN HB3 H 2.024 0.026 1 1315 135 135 GLN HG2 H 1.989 0.012 1 1316 135 135 GLN HG3 H 1.989 0.012 1 1317 135 135 GLN HE21 H 6.452 0.001 1 1318 135 135 GLN HE22 H 5.885 0.003 1 1319 135 135 GLN CA C 53.227 0.041 1 1320 135 135 GLN CB C 32.342 0.061 1 1321 135 135 GLN CG C 32.948 0.093 1 1322 135 135 GLN N N 115.297 0.037 1 1323 135 135 GLN NE2 N 108.814 0.02 1 1324 136 136 VAL H H 9.133 0.003 1 1325 136 136 VAL HA H 5.218 0.016 1 1326 136 136 VAL HB H 2.454 0.005 1 1327 136 136 VAL HG1 H 1.297 0.016 1 1328 136 136 VAL HG2 H 1.11 0.013 1 1329 136 136 VAL CA C 61.663 0.07 1 1330 136 136 VAL CB C 33.758 0.077 1 1331 136 136 VAL CG1 C 22.02 0.053 1 1332 136 136 VAL CG2 C 22.622 0.06 1 1333 136 136 VAL N N 125.463 0.029 1 1334 137 137 ASN H H 9.634 0.004 1 1335 137 137 ASN HA H 5.299 0.01 1 1336 137 137 ASN HB2 H 3.263 0.004 1 1337 137 137 ASN HB3 H 3.263 0.004 1 1338 137 137 ASN HD21 H 7.182 0.007 1 1339 137 137 ASN HD22 H 6.792 0.007 1 1340 137 137 ASN CA C 51.026 0.068 1 1341 137 137 ASN CB C 38.285 0.034 1 1342 137 137 ASN N N 129.402 0.048 1 1343 137 137 ASN ND2 N 108.272 0.029 1 1344 138 138 TYR H H 8.4 0.004 1 1345 138 138 TYR HA H 3.342 0.017 1 1346 138 138 TYR HB2 H 2.353 0.021 2 1347 138 138 TYR HB3 H 2.078 0.021 2 1348 138 138 TYR HD1 H 6.298 0.01 3 1349 138 138 TYR HD2 H 6.298 0.01 3 1350 138 138 TYR HE1 H 6.514 0.008 3 1351 138 138 TYR HE2 H 6.514 0.008 3 1352 138 138 TYR CA C 62.517 0.097 1 1353 138 138 TYR CB C 37.696 0.101 1 1354 138 138 TYR CD1 C 132.419 0.073 3 1355 138 138 TYR CD2 C 132.419 0.073 3 1356 138 138 TYR CE1 C 117.923 0.032 3 1357 138 138 TYR CE2 C 117.923 0.032 3 1358 138 138 TYR N N 118.585 0.024 1 1359 139 139 GLU H H 8.095 0.004 1 1360 139 139 GLU HA H 3.618 0.008 1 1361 139 139 GLU HB2 H 1.931 0.006 2 1362 139 139 GLU HB3 H 2.062 0.002 2 1363 139 139 GLU HG2 H 2.351 0.000 1 1364 139 139 GLU HG3 H 2.351 0.000 1 1365 139 139 GLU CA C 60.314 0.044 1 1366 139 139 GLU CB C 29 0.000 1 1367 139 139 GLU CG C 37.038 0.000 1 1368 139 139 GLU N N 118.692 0.031 1 1369 140 140 GLU H H 8.759 0.008 1 1370 140 140 GLU HA H 3.905 0.005 1 1371 140 140 GLU HB2 H 2.533 0.012 1 1372 140 140 GLU HB3 H 2.168 0.015 1 1373 140 140 GLU HG2 H 2.389 0.004 1 1374 140 140 GLU HG3 H 2.832 0.004 1 1375 140 140 GLU CA C 58.532 0.022 1 1376 140 140 GLU CB C 29.707 0.061 1 1377 140 140 GLU CG C 37.217 0.000 1 1378 140 140 GLU N N 119.98 0.026 1 1379 141 141 PHE H H 8.639 0.005 1 1380 141 141 PHE HA H 3.731 0.014 1 1381 141 141 PHE HB2 H 3.191 0.027 1 1382 141 141 PHE HB3 H 3.366 0.014 1 1383 141 141 PHE HD1 H 7.016 0.008 3 1384 141 141 PHE HD2 H 7.016 0.008 3 1385 141 141 PHE HE1 H 7.188 0.017 3 1386 141 141 PHE HE2 H 7.188 0.017 3 1387 141 141 PHE HZ H 7.479 0.009 1 1388 141 141 PHE CA C 61.983 0.06 1 1389 141 141 PHE CB C 40.173 0.095 1 1390 141 141 PHE CD1 C 131.63 0.126 3 1391 141 141 PHE CD2 C 131.63 0.126 3 1392 141 141 PHE CE1 C 129.77 0.000 3 1393 141 141 PHE CE2 C 129.77 0.000 3 1394 141 141 PHE CZ C 131.597 0.000 1 1395 141 141 PHE N N 123.408 0.058 1 1396 142 142 VAL H H 8.781 0.005 1 1397 142 142 VAL HA H 3.044 0.015 1 1398 142 142 VAL HB H 1.806 0.01 1 1399 142 142 VAL HG1 H 0.717 0.01 1 1400 142 142 VAL HG2 H 0.452 0.011 1 1401 142 142 VAL CA C 67.118 0.048 1 1402 142 142 VAL CB C 31.515 0.06 1 1403 142 142 VAL CG1 C 21.36 0.05 1 1404 142 142 VAL CG2 C 23.214 0.034 1 1405 142 142 VAL N N 119.839 0.035 1 1406 143 143 GLN H H 7.491 0.005 1 1407 143 143 GLN HA H 3.802 0.012 1 1408 143 143 GLN HB2 H 1.983 0.000 1 1409 143 143 GLN HB3 H 1.983 0.000 1 1410 143 143 GLN HG2 H 2.337 0.001 1 1411 143 143 GLN HG3 H 2.337 0.001 1 1412 143 143 GLN HE21 H 7.529 0.000 1 1413 143 143 GLN HE22 H 6.835 0.000 1 1414 143 143 GLN CA C 58.817 0.082 1 1415 143 143 GLN CB C 28.175 0.000 1 1416 143 143 GLN CG C 34.013 0.000 1 1417 143 143 GLN N N 118.24 0.053 1 1418 143 143 GLN NE2 N 112.526 0.001 1 1419 144 144 MET H H 7.176 0.005 1 1420 144 144 MET HA H 4.145 0.011 1 1421 144 144 MET HB2 H 1.424 0.01 2 1422 144 144 MET HB3 H 1.129 0.003 2 1423 144 144 MET HE H 1.292 0.011 1 1424 144 144 MET CA C 55.939 0.055 1 1425 144 144 MET CB C 31.345 0.035 1 1426 144 144 MET CE C 16.798 0.077 1 1427 144 144 MET N N 116.028 0.042 1 1428 145 145 MET H H 7.831 0.005 1 1429 145 145 MET HA H 4.301 0.015 1 1430 145 145 MET HE H 1.889 0.005 1 1431 145 145 MET CA C 55.416 0.095 1 1432 145 145 MET CB C 32.831 0.000 1 1433 145 145 MET CE C 18.246 0.056 1 1434 145 145 MET N N 116.272 0.038 1 1435 146 146 THR H H 7.474 0.003 1 1436 146 146 THR HA H 4.308 0.013 1 1437 146 146 THR HB H 4.206 0.011 1 1438 146 146 THR HG2 H 1.133 0.011 1 1439 146 146 THR CA C 61.942 0.061 1 1440 146 146 THR CB C 70.244 0.109 1 1441 146 146 THR CG2 C 21.291 0.085 1 1442 146 146 THR N N 110.389 0.05 1 1443 147 147 ALA H H 7.622 0.007 1 1444 147 147 ALA HA H 4.208 0.007 1 1445 147 147 ALA HB H 1.364 0.01 1 1446 147 147 ALA CA C 52.998 0.06 1 1447 147 147 ALA CB C 19.116 0.019 1 1448 147 147 ALA N N 126.864 0.024 1 1449 148 148 LYS H H 7.785 0.004 1 1450 148 148 LYS HA H 4.131 0.01 1 1451 148 148 LYS HB2 H 1.777 0.000 2 1452 148 148 LYS HB3 H 1.625 0.000 2 1453 148 148 LYS HG2 H 1.37 0.019 1 1454 148 148 LYS HG3 H 1.37 0.019 1 1455 148 148 LYS HD2 H 1.639 0.005 1 1456 148 148 LYS HD3 H 1.639 0.005 1 1457 148 148 LYS HE2 H 2.979 0.000 1 1458 148 148 LYS HE3 H 2.979 0.000 1 1459 148 148 LYS CA C 57.308 0.059 1 1460 148 148 LYS CB C 33.853 0.000 1 1461 148 148 LYS CG C 24.72 0.039 1 1462 148 148 LYS CD C 28.912 0.059 1 1463 148 148 LYS CE C 42.089 0.075 1 1464 148 148 LYS N N 125.254 0.039 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HNCO' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' 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 MA8-43 _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 8 1 LEU HA H 4.455 0.009 1 2 8 1 LEU HB2 H 1.666 0.015 1 3 8 1 LEU HB3 H 1.666 0.015 1 4 8 1 LEU HG H 1.667 0.002 1 5 8 1 LEU HD1 H 0.906 0.000 2 6 8 1 LEU HD2 H 0.894 0.008 2 7 8 1 LEU C C 177.494 0.000 1 8 8 1 LEU CA C 55.53 0.12 1 9 8 1 LEU CB C 42.29 0.035 1 10 8 1 LEU CG C 27.02 0.044 1 11 8 1 LEU CD1 C 25.044 0.164 2 12 8 1 LEU CD2 C 23.571 0.071 2 13 9 2 SER H H 8.499 0.003 1 14 9 2 SER HA H 4.464 0.009 1 15 9 2 SER HB2 H 3.874 0.004 1 16 9 2 SER HB3 H 3.874 0.004 1 17 9 2 SER C C 175.137 0.000 1 18 9 2 SER CA C 58.54 0.105 1 19 9 2 SER CB C 63.933 0.074 1 20 9 2 SER N N 116.499 0.06 1 21 10 3 GLY H H 8.5 0.002 1 22 10 3 GLY HA2 H 3.997 0.003 1 23 10 3 GLY HA3 H 3.997 0.003 1 24 10 3 GLY C C 174.792 0.000 1 25 10 3 GLY CA C 45.64 0.015 1 26 10 3 GLY N N 111.203 0.044 1 27 11 4 GLY H H 8.289 0.003 1 28 11 4 GLY HA2 H 3.97 0.005 1 29 11 4 GLY HA3 H 3.97 0.005 1 30 11 4 GLY C C 174.286 0.000 1 31 11 4 GLY CA C 45.417 0.036 1 32 11 4 GLY N N 108.954 0.038 1 33 12 5 GLU H H 8.42 0.001 1 34 12 5 GLU HA H 4.29 0.008 1 35 12 5 GLU HB2 H 1.934 0.005 2 36 12 5 GLU HB3 H 2.059 0.002 2 37 12 5 GLU HG2 H 2.276 0.006 1 38 12 5 GLU HG3 H 2.276 0.006 1 39 12 5 GLU C C 176.539 0.000 1 40 12 5 GLU CA C 56.839 0.039 1 41 12 5 GLU CB C 30.131 0.016 1 42 12 5 GLU N N 120.403 0.023 1 43 13 6 LEU H H 8.241 0.004 1 44 13 6 LEU HA H 4.349 0.013 1 45 13 6 LEU HB2 H 1.651 0.007 2 46 13 6 LEU HB3 H 1.574 0.005 2 47 13 6 LEU HG H 1.645 0.005 1 48 13 6 LEU HD1 H 0.856 0.008 2 49 13 6 LEU HD2 H 0.889 0.012 2 50 13 6 LEU C C 176.899 0.000 1 51 13 6 LEU CA C 55.325 0.042 1 52 13 6 LEU CB C 42.277 0.065 1 53 13 6 LEU CG C 27.073 0.012 1 54 13 6 LEU CD1 C 23.264 0.024 2 55 13 6 LEU CD2 C 25.325 0.023 2 56 13 6 LEU N N 122.306 0.013 1 57 14 7 ASP H H 8.352 0.005 1 58 14 7 ASP HA H 4.697 0.018 1 59 14 7 ASP HB2 H 2.814 0.009 1 60 14 7 ASP HB3 H 2.814 0.009 1 61 14 7 ASP C C 177.374 0.000 1 62 14 7 ASP CA C 53.912 0.082 1 63 14 7 ASP CB C 41.441 0.125 1 64 14 7 ASP N N 121.486 0.04 1 65 15 8 LYS H H 8.977 0.013 1 66 15 8 LYS HA H 3.94 0.019 1 67 15 8 LYS HB2 H 1.789 0.013 2 68 15 8 LYS HB3 H 1.782 0.01 2 69 15 8 LYS HG2 H 1.514 0.005 1 70 15 8 LYS HG3 H 1.514 0.005 1 71 15 8 LYS HD2 H 1.646 0.005 1 72 15 8 LYS HD3 H 1.646 0.005 1 73 15 8 LYS HE2 H 2.942 0.005 2 74 15 8 LYS HE3 H 2.942 0.005 2 75 15 8 LYS C C 178.417 0.000 1 76 15 8 LYS CA C 59.074 0.091 1 77 15 8 LYS CB C 32.208 0.04 1 78 15 8 LYS CE C 41.737 0.032 1 79 15 8 LYS N N 123.048 0.05 1 80 16 9 TRP H H 8.343 0.011 1 81 16 9 TRP HA H 4.142 0.013 1 82 16 9 TRP HB2 H 3.259 0.017 2 83 16 9 TRP HB3 H 3.223 0.009 2 84 16 9 TRP HD1 H 7.541 0.01 1 85 16 9 TRP HE1 H 10.421 0.005 1 86 16 9 TRP HE3 H 7.371 0.009 1 87 16 9 TRP HZ2 H 7.119 0.006 1 88 16 9 TRP HZ3 H 6.845 0.011 1 89 16 9 TRP HH2 H 6.909 0.009 1 90 16 9 TRP C C 178.478 0.000 1 91 16 9 TRP CA C 60.308 0.069 1 92 16 9 TRP CB C 28.531 0.044 1 93 16 9 TRP CD1 C 127.357 0.058 1 94 16 9 TRP CE3 C 120.905 0.084 1 95 16 9 TRP CZ2 C 113.66 0.067 1 96 16 9 TRP CZ3 C 121.002 0.142 1 97 16 9 TRP CH2 C 122.675 0.043 1 98 16 9 TRP N N 117.761 0.048 1 99 16 9 TRP NE1 N 129.12 0.013 1 100 17 10 GLU H H 7.894 0.002 1 101 17 10 GLU HA H 4.077 0.008 1 102 17 10 GLU HB2 H 2.095 0.005 2 103 17 10 GLU HB3 H 2.181 0.011 2 104 17 10 GLU HG2 H 2.363 0.011 2 105 17 10 GLU HG3 H 2.351 0.006 2 106 17 10 GLU C C 177.941 0.000 1 107 17 10 GLU CA C 59.061 0.091 1 108 17 10 GLU CB C 29.631 0.097 1 109 17 10 GLU CG C 35.747 0.014 1 110 17 10 GLU N N 120.308 0.034 1 111 18 11 LYS H H 7.67 0.006 1 112 18 11 LYS HA H 3.996 0.015 1 113 18 11 LYS HB2 H 1.812 0.01 1 114 18 11 LYS HB3 H 1.812 0.01 1 115 18 11 LYS HG2 H 1.497 0.013 1 116 18 11 LYS HG3 H 1.497 0.013 1 117 18 11 LYS HD2 H 1.601 0.007 1 118 18 11 LYS HD3 H 1.601 0.007 1 119 18 11 LYS HE2 H 2.944 0.007 1 120 18 11 LYS HE3 H 2.944 0.007 1 121 18 11 LYS C C 177.809 0.000 1 122 18 11 LYS CA C 58.595 0.046 1 123 18 11 LYS CB C 32.484 0.076 1 124 18 11 LYS CG C 25.306 0.000 1 125 18 11 LYS CE C 41.799 0.034 1 126 18 11 LYS N N 115.545 0.04 1 127 19 12 ILE H H 7.22 0.004 1 128 19 12 ILE HA H 4.015 0.012 1 129 19 12 ILE HB H 2.187 0.014 1 130 19 12 ILE HG12 H 1.039 0.008 2 131 19 12 ILE HG13 H 1.519 0.014 2 132 19 12 ILE HG2 H 1.121 0.015 1 133 19 12 ILE HD1 H 0.568 0.013 1 134 19 12 ILE C C 176.854 0.000 1 135 19 12 ILE CA C 62.38 0.111 1 136 19 12 ILE CB C 38.287 0.064 1 137 19 12 ILE CG1 C 28.24 0.039 1 138 19 12 ILE CG2 C 18.637 0.05 1 139 19 12 ILE CD1 C 13.585 0.064 1 140 19 12 ILE N N 115.037 0.045 1 141 20 13 ARG H H 7.829 0.004 1 142 20 13 ARG HA H 4.161 0.02 1 143 20 13 ARG HB2 H 1.894 0.011 1 144 20 13 ARG HB3 H 1.894 0.011 1 145 20 13 ARG HG2 H 1.761 0.002 2 146 20 13 ARG HG3 H 1.833 0.032 2 147 20 13 ARG HD2 H 3.231 0.009 2 148 20 13 ARG HD3 H 3.231 0.009 2 149 20 13 ARG HE H 7.344 0.005 1 150 20 13 ARG C C 177.19 0.000 1 151 20 13 ARG CA C 58.887 0.081 1 152 20 13 ARG CB C 30.878 0.056 1 153 20 13 ARG CG C 28.73 0.056 1 154 20 13 ARG CD C 43.499 0.071 1 155 20 13 ARG CZ C 159.682 0.000 1 156 20 13 ARG N N 120.262 0.035 1 157 20 13 ARG NE N 84.236 0.02 1 158 21 14 LEU H H 7.833 0.002 1 159 21 14 LEU HA H 4.334 0.006 1 160 21 14 LEU HB2 H 1.741 0.017 2 161 21 14 LEU HB3 H 1.623 0.008 2 162 21 14 LEU HG H 1.795 0.015 1 163 21 14 LEU HD1 H 0.865 0.006 2 164 21 14 LEU HD2 H 0.905 0.012 2 165 21 14 LEU C C 176.718 0.000 1 166 21 14 LEU CA C 55.134 0.046 1 167 21 14 LEU CB C 42.228 0.000 1 168 21 14 LEU CG C 26.997 0.029 1 169 21 14 LEU CD1 C 23.203 0.052 2 170 21 14 LEU CD2 C 25.593 0.087 2 171 21 14 LEU N N 118.504 0.057 1 172 22 15 ARG H H 7.728 0.005 1 173 22 15 ARG HA H 4.615 0.021 1 174 22 15 ARG HB2 H 1.864 0.009 1 175 22 15 ARG HB3 H 1.864 0.009 1 176 22 15 ARG HG2 H 1.649 0.017 2 177 22 15 ARG HG3 H 1.649 0.017 2 178 22 15 ARG HD2 H 3.209 0.018 1 179 22 15 ARG HD3 H 3.209 0.018 1 180 22 15 ARG HE H 7.45 0.005 1 181 22 15 ARG CA C 54.074 0.12 1 182 22 15 ARG CB C 29.869 0.000 1 183 22 15 ARG CG C 26.938 0.058 1 184 22 15 ARG CD C 43.407 0.059 1 185 22 15 ARG N N 120.658 0.054 1 186 22 15 ARG NE N 85.018 0.015 1 187 23 16 PRO HA H 4.441 0.006 1 188 23 16 PRO HB2 H 2.271 0.012 2 189 23 16 PRO HB3 H 1.95 0.01 2 190 23 16 PRO HG2 H 1.976 0.018 2 191 23 16 PRO HG3 H 2.07 0.002 2 192 23 16 PRO HD2 H 3.78 0.017 2 193 23 16 PRO HD3 H 3.627 0.016 2 194 23 16 PRO C C 177.661 0.000 1 195 23 16 PRO CA C 63.755 0.083 1 196 23 16 PRO CB C 31.865 0.061 1 197 23 16 PRO CG C 27.515 0.054 1 198 23 16 PRO CD C 50.438 0.041 1 199 24 17 GLY H H 8.548 0.003 1 200 24 17 GLY HA2 H 3.972 0.003 1 201 24 17 GLY HA3 H 3.972 0.003 1 202 24 17 GLY C C 174.796 0.000 1 203 24 17 GLY CA C 45.501 0.011 1 204 24 17 GLY N N 109.359 0.043 1 205 25 18 GLY H H 8.317 0.005 1 206 25 18 GLY HA2 H 3.956 0.003 1 207 25 18 GLY HA3 H 3.956 0.003 1 208 25 18 GLY C C 173.988 0.000 1 209 25 18 GLY CA C 45.437 0.059 1 210 25 18 GLY N N 108.546 0.03 1 211 26 19 LYS H H 8.142 0.006 1 212 26 19 LYS HA H 4.316 0.011 1 213 26 19 LYS HB2 H 1.803 0.009 2 214 26 19 LYS HB3 H 1.718 0.012 2 215 26 19 LYS HG2 H 1.386 0.013 2 216 26 19 LYS HG3 H 1.386 0.013 2 217 26 19 LYS HE2 H 2.971 0.000 1 218 26 19 LYS HE3 H 2.971 0.000 1 219 26 19 LYS C C 176.484 0.000 1 220 26 19 LYS CA C 56.1 0.083 1 221 26 19 LYS CB C 33.062 0.035 1 222 26 19 LYS CG C 24.718 0.063 1 223 26 19 LYS CD C 29.043 0.000 1 224 26 19 LYS N N 120.526 0.035 1 225 27 20 LYS H H 8.313 0.004 1 226 27 20 LYS HA H 4.186 0.012 1 227 27 20 LYS HB2 H 1.619 0.014 1 228 27 20 LYS HB3 H 1.619 0.014 1 229 27 20 LYS HG2 H 1.348 0.002 2 230 27 20 LYS HG3 H 1.287 0.007 2 231 27 20 LYS HE2 H 2.944 0.003 1 232 27 20 LYS HE3 H 2.944 0.003 1 233 27 20 LYS C C 175.92 0.000 1 234 27 20 LYS CA C 56.333 0.071 1 235 27 20 LYS CB C 32.899 0.032 1 236 27 20 LYS CG C 24.788 0.106 1 237 27 20 LYS CD C 29.071 0.000 1 238 27 20 LYS CE C 42.11 0.015 1 239 27 20 LYS N N 122.018 0.036 1 240 28 21 GLN H H 8.247 0.004 1 241 28 21 GLN HA H 4.297 0.009 1 242 28 21 GLN HB2 H 1.958 0.007 2 243 28 21 GLN HB3 H 1.881 0.002 2 244 28 21 GLN HG2 H 2.262 0.005 1 245 28 21 GLN HG3 H 2.262 0.005 1 246 28 21 GLN HE21 H 7.561 0.006 1 247 28 21 GLN HE22 H 6.895 0.002 1 248 28 21 GLN C C 175.617 0.000 1 249 28 21 GLN CA C 55.345 0.031 1 250 28 21 GLN CB C 30.164 0.000 1 251 28 21 GLN CG C 33.76 0.036 1 252 28 21 GLN N N 120.78 0.027 1 253 28 21 GLN NE2 N 112.46 0.027 1 254 29 22 TYR H H 8.449 0.003 1 255 29 22 TYR HA H 4.566 0.017 1 256 29 22 TYR HB2 H 2.978 0.017 2 257 29 22 TYR HB3 H 2.773 0.008 2 258 29 22 TYR HD1 H 7.017 0.011 3 259 29 22 TYR HD2 H 7.017 0.011 3 260 29 22 TYR HE1 H 6.781 0.009 3 261 29 22 TYR HE2 H 6.781 0.009 3 262 29 22 TYR CA C 57.599 0.075 1 263 29 22 TYR CB C 38.776 0.132 1 264 29 22 TYR CD1 C 133.165 0.062 3 265 29 22 TYR CD2 C 133.165 0.062 3 266 29 22 TYR CE1 C 118.154 0.053 3 267 29 22 TYR CE2 C 118.154 0.053 3 268 29 22 TYR N N 120.841 0.037 1 269 30 23 LYS HE2 H 2.941 0.004 1 270 30 23 LYS HE3 H 2.941 0.004 1 271 30 23 LYS CE C 41.809 0.022 1 272 31 24 LEU HA H 3.987 0.01 1 273 31 24 LEU HB2 H 1.712 0.014 2 274 31 24 LEU HB3 H 1.316 0.007 2 275 31 24 LEU HG H 1.365 0.021 1 276 31 24 LEU HD1 H 0.746 0.018 1 277 31 24 LEU HD2 H 0.682 0.011 1 278 31 24 LEU CA C 57.73 0.074 1 279 31 24 LEU CB C 41.428 0.054 1 280 31 24 LEU CG C 27.674 0.078 1 281 31 24 LEU CD1 C 25.226 0.062 1 282 31 24 LEU CD2 C 25.877 0.059 1 283 32 25 LYS HE2 H 2.873 0.012 2 284 32 25 LYS HE3 H 2.873 0.012 2 285 32 25 LYS C C 177.106 0.000 1 286 32 25 LYS CE C 42.094 0.051 1 287 33 26 HIS H H 7.307 0.011 1 288 33 26 HIS HA H 4.488 0.013 1 289 33 26 HIS HB2 H 3.351 0.01 1 290 33 26 HIS HB3 H 3.351 0.01 1 291 33 26 HIS HD2 H 7.068 0.024 1 292 33 26 HIS C C 178.124 0.000 1 293 33 26 HIS CA C 58.819 0.017 1 294 33 26 HIS CB C 29.677 0.054 1 295 33 26 HIS CD2 C 119.584 0.108 1 296 33 26 HIS N N 115.348 0.064 1 297 34 27 ILE H H 7.603 0.007 1 298 34 27 ILE HA H 3.929 0.016 1 299 34 27 ILE HB H 2.385 0.022 1 300 34 27 ILE HG12 H 1.773 0.003 2 301 34 27 ILE HG13 H 1.531 0.012 2 302 34 27 ILE HG2 H 1.017 0.012 1 303 34 27 ILE HD1 H 0.835 0.014 1 304 34 27 ILE C C 178.169 0.000 1 305 34 27 ILE CA C 62.101 0.093 1 306 34 27 ILE CB C 35.978 0.077 1 307 34 27 ILE CG1 C 28.045 0.083 1 308 34 27 ILE CG2 C 17.747 0.044 1 309 34 27 ILE CD1 C 10.632 0.058 1 310 34 27 ILE N N 120.151 0.043 1 311 35 28 VAL H H 8.264 0.004 1 312 35 28 VAL HA H 3.815 0.013 1 313 35 28 VAL HB H 2.103 0.014 1 314 35 28 VAL HG1 H 0.995 0.012 1 315 35 28 VAL HG2 H 0.854 0.01 1 316 35 28 VAL C C 179.497 0.000 1 317 35 28 VAL CA C 66.961 0.057 1 318 35 28 VAL CB C 31.204 0.056 1 319 35 28 VAL CG1 C 21.462 0.051 1 320 35 28 VAL CG2 C 22.715 0.092 1 321 35 28 VAL N N 121.813 0.04 1 322 36 29 TRP H H 8.06 0.004 1 323 36 29 TRP HA H 4.601 0.011 1 324 36 29 TRP HB2 H 3.403 0.01 2 325 36 29 TRP HB3 H 3.403 0.01 2 326 36 29 TRP HD1 H 7.222 0.008 1 327 36 29 TRP HE1 H 10.118 0.002 1 328 36 29 TRP HE3 H 7.584 0.016 1 329 36 29 TRP HZ2 H 7.488 0.009 1 330 36 29 TRP HZ3 H 7.016 0.000 1 331 36 29 TRP HH2 H 7.22 0.01 1 332 36 29 TRP C C 178.815 0.000 1 333 36 29 TRP CA C 59.716 0.061 1 334 36 29 TRP CB C 29 0.029 1 335 36 29 TRP CD1 C 125.885 0.036 1 336 36 29 TRP CE3 C 120.646 0.047 1 337 36 29 TRP CZ2 C 114.491 0.018 1 338 36 29 TRP CZ3 C 121.579 0.000 1 339 36 29 TRP CH2 C 124.64 0.077 1 340 36 29 TRP N N 120.26 0.038 1 341 36 29 TRP NE1 N 128.605 0.026 1 342 37 30 ALA H H 8.264 0.003 1 343 37 30 ALA HA H 4.162 0.015 1 344 37 30 ALA HB H 1.566 0.014 1 345 37 30 ALA C C 179.736 0.000 1 346 37 30 ALA CA C 54.588 0.063 1 347 37 30 ALA CB C 18.658 0.058 1 348 37 30 ALA N N 121.666 0.083 1 349 38 31 SER H H 8.393 0.005 1 350 38 31 SER HA H 4.111 0.01 1 351 38 31 SER HB2 H 3.947 0.02 2 352 38 31 SER HB3 H 3.947 0.02 2 353 38 31 SER C C 175.134 0.000 1 354 38 31 SER CA C 61.128 0.104 1 355 38 31 SER CB C 63.027 0.129 1 356 38 31 SER N N 113.223 0.036 1 357 39 32 ARG H H 7.555 0.006 1 358 39 32 ARG HA H 4.247 0.015 1 359 39 32 ARG HB2 H 1.985 0.01 2 360 39 32 ARG HB3 H 1.99 0.005 2 361 39 32 ARG HG2 H 1.847 0.015 2 362 39 32 ARG HG3 H 1.847 0.015 2 363 39 32 ARG HD2 H 3.167 0.02 2 364 39 32 ARG HD3 H 3.172 0.017 2 365 39 32 ARG HE H 7.432 0.004 1 366 39 32 ARG C C 177.193 0.000 1 367 39 32 ARG CA C 57.451 0.081 1 368 39 32 ARG CB C 29.775 0.033 1 369 39 32 ARG CG C 26.808 0.068 1 370 39 32 ARG CD C 43.145 0.124 1 371 39 32 ARG CZ C 159.806 0.000 1 372 39 32 ARG N N 121.198 0.04 1 373 39 32 ARG NE N 84.448 0.044 1 374 40 33 GLU H H 7.753 0.006 1 375 40 33 GLU HA H 4.27 0.009 1 376 40 33 GLU HB2 H 1.93 0.008 1 377 40 33 GLU HB3 H 1.93 0.008 1 378 40 33 GLU HG2 H 2.241 0.000 2 379 40 33 GLU HG3 H 2.159 0.000 2 380 40 33 GLU C C 176.886 0.000 1 381 40 33 GLU CA C 56.712 0.074 1 382 40 33 GLU CB C 29.874 0.0 1 383 40 33 GLU N N 117.419 0.069 1 384 41 34 LEU H H 7.601 0.003 1 385 41 34 LEU HA H 4.271 0.013 1 386 41 34 LEU HB2 H 1.785 0.011 2 387 41 34 LEU HB3 H 1.591 0.004 2 388 41 34 LEU HG H 1.64 0.000 1 389 41 34 LEU HD1 H 0.88 0.004 1 390 41 34 LEU HD2 H 0.839 0.003 1 391 41 34 LEU C C 177.298 0.000 1 392 41 34 LEU CA C 55.329 0.151 1 393 41 34 LEU CB C 42.253 0.081 1 394 41 34 LEU CG C 27.061 0.059 1 395 41 34 LEU CD1 C 25.342 0.052 1 396 41 34 LEU CD2 C 23.284 0.035 1 397 41 34 LEU N N 120.103 0.023 1 398 42 35 GLU H H 8.105 0.009 1 399 42 35 GLU HA H 4.277 0.014 1 400 42 35 GLU HB2 H 1.944 0.005 2 401 42 35 GLU HB3 H 2.087 0.004 2 402 42 35 GLU HG2 H 2.283 0.008 1 403 42 35 GLU HG3 H 2.283 0.008 1 404 42 35 GLU C C 175.424 0.000 1 405 42 35 GLU CA C 56.579 0.066 1 406 42 35 GLU CB C 30.043 0.13 1 407 42 35 GLU CG C 35.965 0.000 1 408 42 35 GLU N N 120.987 0.036 1 409 43 36 ARG H H 7.851 0.004 1 410 43 36 ARG HA H 4.161 0.012 1 411 43 36 ARG HB2 H 1.72 0.008 2 412 43 36 ARG HB3 H 1.85 0.01 2 413 43 36 ARG HG2 H 1.606 0.014 1 414 43 36 ARG HG3 H 1.606 0.014 1 415 43 36 ARG HD2 H 3.182 0.012 2 416 43 36 ARG HD3 H 3.182 0.013 2 417 43 36 ARG HE H 7.198 0.004 1 418 43 36 ARG CA C 57.35 0.054 1 419 43 36 ARG CB C 31.429 0.017 1 420 43 36 ARG CG C 27.177 0.027 1 421 43 36 ARG CD C 43.426 0.065 1 422 43 36 ARG CZ C 159.574 0.000 1 423 43 36 ARG N N 127.249 0.084 1 424 43 36 ARG NE N 85.334 0.042 1 stop_ save_