data_6004 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N assignments of human Cofilin ; _BMRB_accession_number 6004 _BMRB_flat_file_name bmr6004.str _Entry_type original _Submission_date 2003-11-14 _Accession_date 2003-11-14 _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 Zierler-Gould K. M. . 2 Pope B. J. . 3 Weeds A. G. . 4 Ball L. J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 974 "13C chemical shifts" 534 "15N chemical shifts" 164 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-11-15 original author . stop_ _Original_release_date 2004-11-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the editor: Backbone and sidechain 1H, 13C and 15N resonance assignments of human cofilin ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15213453 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zierler-Gould K. M. . 2 Pope B. J. . 3 Weeds A. G. . 4 Ball L. J. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 429 _Page_last 430 _Year 2004 _Details . loop_ _Keyword cofilin/ADF NMR 'chemical shift' 'actin binding' cytoskeleton stop_ save_ ################################## # Molecular system description # ################################## save_system_cofilin _Saveframe_category molecular_system _Mol_system_name 'Cofilin, non-muscle isoform' _Abbreviation_common cofilin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label cofilin $cofilin stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function ; F-actin and G-actin binding. Actin depolymerizing protein which modifies the twist of F-actin when bound. ; stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_cofilin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common cofilin _Abbreviation_common cofilin _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 166 _Mol_residue_sequence ; MASGVAVSDGVIKVFNDMKV RKSSTPEEVKKRKKAVLFCL SEDKKNIILEEGKEILVGDV GQTVDDPYATFVKMLPDKDC RYALYDATYETKESKKEDLV FIFWAPESAPLKSKMIYASS KDAIKKKLTGIKHELQANCY EEVKDRCTLAEKLGGSAVIS LEGKPL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 SER 4 GLY 5 VAL 6 ALA 7 VAL 8 SER 9 ASP 10 GLY 11 VAL 12 ILE 13 LYS 14 VAL 15 PHE 16 ASN 17 ASP 18 MET 19 LYS 20 VAL 21 ARG 22 LYS 23 SER 24 SER 25 THR 26 PRO 27 GLU 28 GLU 29 VAL 30 LYS 31 LYS 32 ARG 33 LYS 34 LYS 35 ALA 36 VAL 37 LEU 38 PHE 39 CYS 40 LEU 41 SER 42 GLU 43 ASP 44 LYS 45 LYS 46 ASN 47 ILE 48 ILE 49 LEU 50 GLU 51 GLU 52 GLY 53 LYS 54 GLU 55 ILE 56 LEU 57 VAL 58 GLY 59 ASP 60 VAL 61 GLY 62 GLN 63 THR 64 VAL 65 ASP 66 ASP 67 PRO 68 TYR 69 ALA 70 THR 71 PHE 72 VAL 73 LYS 74 MET 75 LEU 76 PRO 77 ASP 78 LYS 79 ASP 80 CYS 81 ARG 82 TYR 83 ALA 84 LEU 85 TYR 86 ASP 87 ALA 88 THR 89 TYR 90 GLU 91 THR 92 LYS 93 GLU 94 SER 95 LYS 96 LYS 97 GLU 98 ASP 99 LEU 100 VAL 101 PHE 102 ILE 103 PHE 104 TRP 105 ALA 106 PRO 107 GLU 108 SER 109 ALA 110 PRO 111 LEU 112 LYS 113 SER 114 LYS 115 MET 116 ILE 117 TYR 118 ALA 119 SER 120 SER 121 LYS 122 ASP 123 ALA 124 ILE 125 LYS 126 LYS 127 LYS 128 LEU 129 THR 130 GLY 131 ILE 132 LYS 133 HIS 134 GLU 135 LEU 136 GLN 137 ALA 138 ASN 139 CYS 140 TYR 141 GLU 142 GLU 143 VAL 144 LYS 145 ASP 146 ARG 147 CYS 148 THR 149 LEU 150 ALA 151 GLU 152 LYS 153 LEU 154 GLY 155 GLY 156 SER 157 ALA 158 VAL 159 ILE 160 SER 161 LEU 162 GLU 163 GLY 164 LYS 165 PRO 166 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 1Q8G "Nmr Structure Of Human Cofilin" 100.00 166 100.00 100.00 1.17e-114 PDB 1Q8X "Nmr Structure Of Human Cofilin" 100.00 166 100.00 100.00 1.17e-114 PDB 3J0S "Remodeling Of Actin Filaments By Adf Cofilin Proteins" 100.00 166 100.00 100.00 1.17e-114 PDB 4BEX "Structure Of Human Cofilin1" 100.00 181 99.40 99.40 3.48e-113 DBJ BAA00364 "cofilin [Mus musculus]" 100.00 166 98.80 99.40 1.62e-113 DBJ BAA00589 "cofilin [Homo sapiens]" 100.00 166 100.00 100.00 1.17e-114 DBJ BAB29074 "unnamed protein product [Mus musculus]" 100.00 166 98.80 99.40 1.62e-113 DBJ BAB32114 "unnamed protein product [Mus musculus]" 100.00 229 97.59 98.80 3.01e-111 DBJ BAC34363 "unnamed protein product [Mus musculus]" 100.00 166 98.80 99.40 1.62e-113 EMBL CAA44694 "cofilin [Rattus norvegicus]" 100.00 166 99.40 99.40 5.08e-114 EMBL CAA64685 "cofilin [Homo sapiens]" 100.00 166 100.00 100.00 1.17e-114 GB AAA31020 "cofilin [Sus scrofa]" 100.00 166 99.40 99.40 1.15e-113 GB AAA64501 "cofilin [Homo sapiens]" 100.00 166 100.00 100.00 1.17e-114 GB AAH11005 "Cofilin 1 (non-muscle) [Homo sapiens]" 100.00 166 100.00 100.00 1.17e-114 GB AAH12265 "Cofilin 1 (non-muscle) [Homo sapiens]" 100.00 166 100.00 100.00 1.17e-114 GB AAH12318 "Cofilin 1 (non-muscle) [Homo sapiens]" 100.00 166 100.00 100.00 1.17e-114 REF NP_001004043 "cofilin-1 [Sus scrofa]" 100.00 166 99.40 99.40 1.15e-113 REF NP_001009484 "cofilin-1 [Ovis aries]" 100.00 166 99.40 99.40 1.15e-113 REF NP_001015655 "cofilin-1 [Bos taurus]" 100.00 166 99.40 99.40 1.15e-113 REF NP_001253534 "cofilin-1 [Macaca mulatta]" 100.00 166 99.40 99.40 1.15e-113 REF NP_005498 "cofilin-1 [Homo sapiens]" 100.00 166 100.00 100.00 1.17e-114 SP P10668 "RecName: Full=Cofilin-1; AltName: Full=Cofilin, non-muscle isoform [Sus scrofa]" 100.00 166 99.40 99.40 1.15e-113 SP P18760 "RecName: Full=Cofilin-1; AltName: Full=Cofilin, non-muscle isoform [Mus musculus]" 100.00 166 98.80 99.40 1.62e-113 SP P23528 "RecName: Full=Cofilin-1; AltName: Full=18 kDa phosphoprotein; Short=p18; AltName: Full=Cofilin, non-muscle isoform [Homo sapien" 100.00 166 100.00 100.00 1.17e-114 SP P45592 "RecName: Full=Cofilin-1; AltName: Full=Cofilin, non-muscle isoform [Rattus norvegicus]" 100.00 166 99.40 99.40 5.08e-114 SP Q4R5C0 "RecName: Full=Cofilin-1; AltName: Full=Cofilin, non-muscle isoform [Macaca fascicularis]" 100.00 166 99.40 99.40 1.15e-113 TPG DAA13572 "TPA: cofilin-1 [Bos taurus]" 100.00 166 99.40 99.40 1.15e-113 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $cofilin Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $cofilin 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cofilin 0.8 mM '[U-15N; U-13C]' 'phosphate buffer' 10 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cofilin 1 mM [U-15N] 'phosphate buffer' 10 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 1.3 loop_ _Task 'acquisition, processing' stop_ _Details 'Bruker AG' save_ save_AZARA _Saveframe_category software _Name AZARA _Version 2.1 loop_ _Task processing viewing stop_ _Details 'Boucher, W., unpublished' save_ save_ANSIG _Saveframe_category software _Name ANSIG _Version 3.3 loop_ _Task assignment integration 'creation of NOE restraint lists' stop_ _Details 'Kraulis, P.J. (1989) J. Magn. Res. 24. 617-633.' save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Task 'structure solution' refinement stop_ _Details 'Bruenger, A et al., (1998) ActA Cystallogr. D. 54. 905-921.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY-HSQC_in_H2O_(aliphatic_centred)_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY-HSQC in H2O (aliphatic centred)' _Sample_label . save_ save_3D_13C-separated_NOESY-HSQC_in_H2O_(aromatic_centred)_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY-HSQC in H2O (aromatic centred)' _Sample_label . save_ save_3D_15N-separated_NOESY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY-HSQC' _Sample_label . save_ save_3D_HNHA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label . save_ save_3D_HNHB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label . save_ save_2D_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_2D_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_2D_DQF-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY-HSQC in H2O (aliphatic centred)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY-HSQC in H2O (aromatic centred)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.2 n/a temperature 300 2 K 'ionic strength' 10 0.02 mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_cofilin_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name cofilin _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 3 SER CA C 58.4 . 1 2 . 3 SER CB C 64.0 . 1 3 . 4 GLY N N 111.2 . 1 4 . 4 GLY H H 8.42 . 1 5 . 4 GLY CA C 45.0 . 1 6 . 4 GLY HA2 H 3.90 . 2 7 . 4 GLY HA3 H 4.01 . 2 8 . 5 VAL N N 120.3 . 1 9 . 5 VAL H H 7.79 . 1 10 . 5 VAL CA C 61.9 . 1 11 . 5 VAL HA H 4.05 . 1 12 . 5 VAL CB C 33.2 . 1 13 . 5 VAL HB H 1.73 . 1 14 . 5 VAL HG1 H 0.65 . 2 15 . 5 VAL HG2 H 0.77 . 2 16 . 5 VAL CG1 C 21.5 . 1 17 . 5 VAL CG2 C 20.9 . 1 18 . 6 ALA N N 128.1 . 1 19 . 6 ALA H H 8.01 . 1 20 . 6 ALA CA C 50.8 . 1 21 . 6 ALA HA H 4.59 . 1 22 . 6 ALA HB H 1.42 . 1 23 . 6 ALA CB C 20.9 . 1 24 . 7 VAL N N 120.6 . 1 25 . 7 VAL H H 8.63 . 1 26 . 7 VAL CA C 62.3 . 1 27 . 7 VAL HA H 3.97 . 1 28 . 7 VAL CB C 32.2 . 1 29 . 7 VAL HB H 1.84 . 1 30 . 7 VAL HG1 H 0.75 . 2 31 . 7 VAL HG2 H 0.69 . 2 32 . 7 VAL CG1 C 22.0 . 1 33 . 7 VAL CG2 C 21.6 . 1 34 . 8 SER N N 122.4 . 1 35 . 8 SER H H 8.16 . 1 36 . 8 SER CA C 59.1 . 1 37 . 8 SER HA H 4.38 . 1 38 . 8 SER CB C 65.2 . 1 39 . 8 SER HB2 H 4.36 . 2 40 . 8 SER HB3 H 4.06 . 2 41 . 9 ASP N N 122.6 . 1 42 . 9 ASP H H 8.97 . 1 43 . 9 ASP CA C 57.4 . 1 44 . 9 ASP HA H 4.38 . 1 45 . 9 ASP CB C 40.4 . 1 46 . 9 ASP HB2 H 2.66 . 1 47 . 9 ASP HB3 H 2.66 . 1 48 . 10 GLY N N 106.7 . 1 49 . 10 GLY H H 8.75 . 1 50 . 10 GLY CA C 47.2 . 1 51 . 10 GLY HA2 H 3.98 . 2 52 . 10 GLY HA3 H 3.88 . 2 53 . 11 VAL N N 122.0 . 1 54 . 11 VAL H H 7.23 . 1 55 . 11 VAL CA C 66.0 . 1 56 . 11 VAL HA H 3.40 . 1 57 . 11 VAL CB C 30.9 . 1 58 . 11 VAL HB H 1.99 . 1 59 . 11 VAL HG1 H 0.64 . 2 60 . 11 VAL HG2 H -0.08 . 2 61 . 11 VAL CG1 C 23.1 . 1 62 . 11 VAL CG2 C 19.7 . 1 63 . 12 ILE N N 118.7 . 1 64 . 12 ILE H H 7.02 . 1 65 . 12 ILE CA C 64.3 . 1 66 . 12 ILE HA H 3.51 . 1 67 . 12 ILE CB C 37.5 . 1 68 . 12 ILE HB H 2.02 . 1 69 . 12 ILE HG2 H 1.01 . 1 70 . 12 ILE CG2 C 17.8 . 1 71 . 12 ILE CG1 C 28.8 . 1 72 . 12 ILE HG12 H 1.12 . 1 73 . 12 ILE HG13 H 1.12 . 1 74 . 12 ILE HD1 H 0.76 . 1 75 . 12 ILE CD1 C 12.5 . 1 76 . 13 LYS N N 119.6 . 1 77 . 13 LYS H H 8.30 . 1 78 . 13 LYS CA C 59.9 . 1 79 . 13 LYS HA H 4.08 . 1 80 . 13 LYS CB C 32.6 . 1 81 . 13 LYS HB2 H 1.93 . 1 82 . 13 LYS HB3 H 1.93 . 1 83 . 13 LYS CG C 25.4 . 1 84 . 13 LYS HG2 H 1.55 . 2 85 . 13 LYS HG3 H 1.44 . 2 86 . 13 LYS HD2 H 1.70 . 1 87 . 13 LYS HD3 H 1.70 . 1 88 . 13 LYS HE2 H 2.93 . 1 89 . 13 LYS HE3 H 2.93 . 1 90 . 14 VAL N N 118.3 . 1 91 . 14 VAL H H 7.63 . 1 92 . 14 VAL CA C 66.1 . 1 93 . 14 VAL HA H 3.95 . 1 94 . 14 VAL CB C 31.5 . 1 95 . 14 VAL HB H 2.32 . 1 96 . 14 VAL HG1 H 1.25 . 2 97 . 14 VAL HG2 H 1.28 . 2 98 . 14 VAL CG1 C 22.5 . 1 99 . 14 VAL CG2 C 24.9 . 1 100 . 15 PHE N N 120.9 . 1 101 . 15 PHE H H 8.31 . 1 102 . 15 PHE CA C 60.9 . 1 103 . 15 PHE HA H 4.19 . 1 104 . 15 PHE CB C 39.1 . 1 105 . 15 PHE HB2 H 3.19 . 2 106 . 15 PHE HB3 H 3.09 . 2 107 . 15 PHE CD1 C 129.9 . 1 108 . 15 PHE HD1 H 7.22 . 1 109 . 15 PHE HE1 H 7.27 . 1 110 . 15 PHE HE2 H 7.27 . 1 111 . 15 PHE CD2 C 129.9 . 1 112 . 15 PHE HD2 H 7.22 . 1 113 . 16 ASN N N 117.8 . 1 114 . 16 ASN H H 8.58 . 1 115 . 16 ASN CA C 56.6 . 1 116 . 16 ASN HA H 3.94 . 1 117 . 16 ASN CB C 38.1 . 1 118 . 16 ASN HB2 H 2.92 . 2 119 . 16 ASN HB3 H 2.71 . 2 120 . 16 ASN ND2 N 112.3 . 1 121 . 16 ASN HD21 H 7.53 . 2 122 . 16 ASN HD22 H 6.99 . 2 123 . 17 ASP N N 119.6 . 1 124 . 17 ASP H H 8.18 . 1 125 . 17 ASP CA C 56.9 . 1 126 . 17 ASP HA H 4.46 . 1 127 . 17 ASP CB C 40.6 . 1 128 . 17 ASP HB2 H 2.92 . 2 129 . 17 ASP HB3 H 2.68 . 2 130 . 18 MET N N 119.4 . 1 131 . 18 MET H H 8.18 . 1 132 . 18 MET CA C 58.6 . 1 133 . 18 MET HA H 4.08 . 1 134 . 18 MET CB C 34.9 . 1 135 . 18 MET HB2 H 2.14 . 2 136 . 18 MET HB3 H 1.98 . 2 137 . 18 MET CG C 33.0 . 1 138 . 18 MET HG2 H 2.92 . 2 139 . 18 MET HG3 H 2.49 . 2 140 . 18 MET HE H 1.65 . 1 141 . 18 MET CE C 16.5 . 1 142 . 19 LYS N N 117.0 . 1 143 . 19 LYS H H 7.95 . 1 144 . 19 LYS CA C 58.2 . 1 145 . 19 LYS HA H 3.89 . 1 146 . 19 LYS CB C 32.3 . 1 147 . 19 LYS HB2 H 1.41 . 1 148 . 19 LYS HB3 H 1.41 . 1 149 . 19 LYS CG C 24.6 . 1 150 . 19 LYS HG2 H 1.13 . 2 151 . 19 LYS HG3 H 1.22 . 2 152 . 19 LYS HD2 H 1.48 . 1 153 . 19 LYS HD3 H 1.48 . 1 154 . 19 LYS CE C 42.0 . 1 155 . 19 LYS HE2 H 2.75 . 1 156 . 19 LYS HE3 H 2.75 . 1 157 . 20 VAL N N 117.5 . 1 158 . 20 VAL H H 7.25 . 1 159 . 20 VAL CA C 62.8 . 1 160 . 20 VAL HA H 3.96 . 1 161 . 20 VAL CB C 32.4 . 1 162 . 20 VAL HB H 2.08 . 1 163 . 20 VAL HG1 H 0.90 . 2 164 . 20 VAL HG2 H 0.99 . 2 165 . 20 VAL CG1 C 21.3 . 1 166 . 20 VAL CG2 C 21.3 . 1 167 . 21 ARG N N 122.8 . 1 168 . 21 ARG H H 8.08 . 1 169 . 21 ARG CA C 55.9 . 1 170 . 21 ARG HA H 4.11 . 1 171 . 21 ARG CB C 29.3 . 1 172 . 21 ARG HB2 H 1.66 . 2 173 . 21 ARG HB3 H 1.75 . 2 174 . 21 ARG HG2 H 1.52 . 1 175 . 21 ARG HG3 H 1.52 . 1 176 . 21 ARG HD2 H 3.11 . 1 177 . 21 ARG HD3 H 3.11 . 1 178 . 22 LYS N N 122.6 . 1 179 . 22 LYS H H 8.37 . 1 180 . 22 LYS CA C 56.8 . 1 181 . 22 LYS HA H 4.27 . 1 182 . 22 LYS CB C 33.1 . 1 183 . 22 LYS HB2 H 1.67 . 2 184 . 22 LYS HB3 H 1.78 . 2 185 . 22 LYS CG C 24.6 . 1 186 . 22 LYS HG2 H 1.37 . 1 187 . 22 LYS HG3 H 1.37 . 1 188 . 22 LYS HD2 H 0.91 . 1 189 . 22 LYS HD3 H 0.91 . 1 190 . 22 LYS HE2 H 2.94 . 1 191 . 22 LYS HE3 H 2.94 . 1 192 . 23 SER N N 117.6 . 1 193 . 23 SER H H 8.44 . 1 194 . 23 SER CA C 58.0 . 1 195 . 23 SER HA H 4.51 . 1 196 . 23 SER CB C 63.9 . 1 197 . 23 SER HB2 H 3.79 . 1 198 . 23 SER HB3 H 3.79 . 1 199 . 24 SER N N 119.0 . 1 200 . 24 SER H H 8.62 . 1 201 . 24 SER CA C 59.3 . 1 202 . 24 SER HA H 4.53 . 1 203 . 24 SER CB C 64.6 . 1 204 . 24 SER HB2 H 3.89 . 1 205 . 24 SER HB3 H 3.89 . 1 206 . 25 THR N N 113.3 . 1 207 . 25 THR H H 7.92 . 1 208 . 25 THR CA C 59.3 . 1 209 . 25 THR HA H 4.80 . 1 210 . 25 THR CB C 69.4 . 1 211 . 25 THR HB H 4.58 . 1 212 . 25 THR HG2 H 1.25 . 1 213 . 25 THR CG2 C 21.9 . 1 214 . 26 PRO CD C 50.5 . 1 215 . 26 PRO CA C 65.5 . 1 216 . 26 PRO HA H 4.22 . 1 217 . 26 PRO CB C 31.9 . 1 218 . 26 PRO HB2 H 1.93 . 2 219 . 26 PRO HB3 H 2.37 . 2 220 . 26 PRO CG C 28.0 . 1 221 . 26 PRO HG2 H 2.21 . 2 222 . 26 PRO HG3 H 2.01 . 2 223 . 26 PRO HD2 H 3.91 . 1 224 . 26 PRO HD3 H 3.91 . 1 225 . 27 GLU N N 116.4 . 1 226 . 27 GLU H H 8.44 . 1 227 . 27 GLU CA C 59.6 . 1 228 . 27 GLU HA H 3.97 . 1 229 . 27 GLU CB C 29.2 . 1 230 . 27 GLU HB2 H 1.99 . 2 231 . 27 GLU HB3 H 1.92 . 2 232 . 27 GLU CG C 36.6 . 1 233 . 27 GLU HG2 H 2.35 . 2 234 . 27 GLU HG3 H 2.26 . 2 235 . 28 GLU N N 118.7 . 1 236 . 28 GLU H H 7.61 . 1 237 . 28 GLU CA C 58.6 . 1 238 . 28 GLU HA H 3.96 . 1 239 . 28 GLU CB C 30.1 . 1 240 . 28 GLU HB2 H 2.13 . 2 241 . 28 GLU HB3 H 2.01 . 2 242 . 28 GLU CG C 37.3 . 1 243 . 28 GLU HG2 H 2.32 . 2 244 . 28 GLU HG3 H 2.21 . 2 245 . 29 VAL N N 120.3 . 1 246 . 29 VAL H H 7.91 . 1 247 . 29 VAL CA C 66.5 . 1 248 . 29 VAL HA H 3.51 . 1 249 . 29 VAL CB C 31.7 . 1 250 . 29 VAL HB H 2.10 . 1 251 . 29 VAL HG1 H 0.97 . 2 252 . 29 VAL HG2 H 0.87 . 2 253 . 29 VAL CG1 C 22.8 . 1 254 . 29 VAL CG2 C 21.3 . 1 255 . 30 LYS N N 114.7 . 1 256 . 30 LYS H H 7.42 . 1 257 . 30 LYS CA C 58.9 . 1 258 . 30 LYS HA H 3.74 . 1 259 . 30 LYS CB C 33.0 . 1 260 . 30 LYS HB2 H 1.84 . 1 261 . 30 LYS HB3 H 1.84 . 1 262 . 30 LYS CG C 25.8 . 1 263 . 30 LYS HG2 H 1.42 . 1 264 . 30 LYS HG3 H 1.42 . 1 265 . 30 LYS HD2 H 1.64 . 1 266 . 30 LYS HD3 H 1.64 . 1 267 . 31 LYS N N 115.5 . 1 268 . 31 LYS H H 7.25 . 1 269 . 31 LYS CA C 56.0 . 1 270 . 31 LYS HA H 4.28 . 1 271 . 31 LYS CB C 33.0 . 1 272 . 31 LYS HB2 H 1.77 . 2 273 . 31 LYS HB3 H 1.96 . 2 274 . 31 LYS CG C 25.3 . 1 275 . 31 LYS HG2 H 1.46 . 2 276 . 31 LYS HG3 H 1.52 . 2 277 . 31 LYS CD C 28.6 . 1 278 . 31 LYS HD2 H 1.63 . 1 279 . 31 LYS HD3 H 1.63 . 1 280 . 31 LYS HE2 H 2.94 . 1 281 . 31 LYS HE3 H 2.94 . 1 282 . 32 ARG N N 121.5 . 1 283 . 32 ARG H H 7.49 . 1 284 . 32 ARG CA C 57.1 . 1 285 . 32 ARG HA H 4.12 . 1 286 . 32 ARG CB C 30.9 . 1 287 . 32 ARG HB2 H 1.93 . 2 288 . 32 ARG HB3 H 1.87 . 2 289 . 32 ARG CG C 28.1 . 1 290 . 32 ARG HG2 H 1.93 . 2 291 . 32 ARG HG3 H 1.70 . 2 292 . 32 ARG CD C 44.0 . 1 293 . 32 ARG HD2 H 3.32 . 2 294 . 32 ARG HD3 H 3.13 . 2 295 . 32 ARG NE N 84.1 . 1 296 . 32 ARG HE H 7.64 . 1 297 . 33 LYS N N 120.7 . 1 298 . 33 LYS H H 8.77 . 1 299 . 33 LYS CA C 57.0 . 1 300 . 33 LYS HA H 4.37 . 1 301 . 33 LYS CB C 32.6 . 1 302 . 33 LYS HB2 H 1.55 . 2 303 . 33 LYS HB3 H 1.92 . 2 304 . 33 LYS CG C 25.4 . 1 305 . 33 LYS HG2 H 1.48 . 1 306 . 33 LYS HG3 H 1.48 . 1 307 . 33 LYS HE2 H 2.92 . 1 308 . 33 LYS HE3 H 2.92 . 1 309 . 34 LYS N N 124.3 . 1 310 . 34 LYS H H 9.56 . 1 311 . 34 LYS CA C 55.4 . 1 312 . 34 LYS HA H 4.35 . 1 313 . 34 LYS CB C 34.8 . 1 314 . 34 LYS HB2 H 1.46 . 2 315 . 34 LYS HB3 H 1.29 . 2 316 . 34 LYS HG2 H 0.97 . 1 317 . 34 LYS HG3 H 0.97 . 1 318 . 35 ALA N N 116.6 . 1 319 . 35 ALA H H 7.66 . 1 320 . 35 ALA CA C 51.1 . 1 321 . 35 ALA HA H 5.12 . 1 322 . 35 ALA HB H 1.22 . 1 323 . 35 ALA CB C 23.4 . 1 324 . 36 VAL N N 114.1 . 1 325 . 36 VAL H H 8.46 . 1 326 . 36 VAL CA C 60.6 . 1 327 . 36 VAL HA H 4.88 . 1 328 . 36 VAL CB C 35.9 . 1 329 . 36 VAL HB H 2.12 . 1 330 . 36 VAL HG1 H 0.85 . 2 331 . 36 VAL HG2 H 0.99 . 2 332 . 36 VAL CG1 C 21.1 . 1 333 . 36 VAL CG2 C 22.7 . 1 334 . 37 LEU N N 122.0 . 1 335 . 37 LEU H H 7.87 . 1 336 . 37 LEU CA C 54.5 . 1 337 . 37 LEU HA H 4.99 . 1 338 . 37 LEU CB C 45.3 . 1 339 . 37 LEU HB2 H 1.74 . 2 340 . 37 LEU HB3 H 2.09 . 2 341 . 37 LEU CG C 29.7 . 1 342 . 37 LEU HG H 1.51 . 1 343 . 37 LEU HD1 H 0.82 . 1 344 . 37 LEU HD2 H 0.82 . 1 345 . 37 LEU CD1 C 26.2 . 1 346 . 37 LEU CD2 C 26.2 . 1 347 . 38 PHE N N 117.8 . 1 348 . 38 PHE H H 9.22 . 1 349 . 38 PHE CA C 53.5 . 1 350 . 38 PHE HA H 5.94 . 1 351 . 38 PHE CB C 41.7 . 1 352 . 38 PHE HB2 H 3.41 . 2 353 . 38 PHE HB3 H 3.05 . 2 354 . 38 PHE CD1 C 130.9 . 1 355 . 38 PHE HD1 H 7.13 . 1 356 . 38 PHE HE1 H 7.06 . 1 357 . 38 PHE HZ H 6.27 . 1 358 . 38 PHE HE2 H 7.06 . 1 359 . 38 PHE CD2 C 130.9 . 1 360 . 38 PHE HD2 H 7.13 . 1 361 . 39 CYS N N 116.4 . 1 362 . 39 CYS H H 9.49 . 1 363 . 39 CYS CA C 54.6 . 1 364 . 39 CYS HA H 5.70 . 1 365 . 39 CYS CB C 32.8 . 1 366 . 39 CYS HB2 H 3.47 . 2 367 . 39 CYS HB3 H 2.52 . 2 368 . 40 LEU N N 118.6 . 1 369 . 40 LEU H H 7.88 . 1 370 . 40 LEU CA C 54.2 . 1 371 . 40 LEU HA H 5.05 . 1 372 . 40 LEU CB C 44.0 . 1 373 . 40 LEU HB2 H 1.52 . 1 374 . 40 LEU HB3 H 1.52 . 1 375 . 40 LEU CG C 26.1 . 1 376 . 40 LEU HG H 0.47 . 1 377 . 40 LEU HD1 H 0.49 . 1 378 . 40 LEU HD2 H 0.49 . 1 379 . 40 LEU CD1 C 24.0 . 1 380 . 40 LEU CD2 C 24.0 . 1 381 . 41 SER N N 117.2 . 1 382 . 41 SER H H 9.06 . 1 383 . 41 SER CA C 58.2 . 1 384 . 41 SER HA H 4.32 . 1 385 . 41 SER CB C 64.4 . 1 386 . 41 SER HB2 H 4.56 . 2 387 . 41 SER HB3 H 3.96 . 2 388 . 41 SER HG H 5.70 . 1 389 . 42 GLU N N 124.6 . 1 390 . 42 GLU H H 9.24 . 1 391 . 42 GLU CA C 60.1 . 1 392 . 42 GLU HA H 4.08 . 1 393 . 42 GLU CB C 29.3 . 1 394 . 42 GLU HB2 H 2.14 . 2 395 . 42 GLU HB3 H 2.09 . 2 396 . 42 GLU CG C 36.4 . 1 397 . 42 GLU HG2 H 2.38 . 1 398 . 42 GLU HG3 H 2.38 . 1 399 . 43 ASP N N 114.9 . 1 400 . 43 ASP H H 8.19 . 1 401 . 43 ASP CA C 53.4 . 1 402 . 43 ASP HA H 4.41 . 1 403 . 43 ASP CB C 39.7 . 1 404 . 43 ASP HB2 H 2.65 . 2 405 . 43 ASP HB3 H 3.02 . 2 406 . 44 LYS N N 112.7 . 1 407 . 44 LYS H H 8.13 . 1 408 . 44 LYS CA C 57.6 . 1 409 . 44 LYS HA H 3.66 . 1 410 . 44 LYS CB C 29.1 . 1 411 . 44 LYS HB2 H 2.16 . 2 412 . 44 LYS HB3 H 1.98 . 2 413 . 44 LYS CG C 25.3 . 1 414 . 44 LYS HG2 H 1.35 . 2 415 . 44 LYS HG3 H 1.47 . 2 416 . 44 LYS HD2 H 1.74 . 1 417 . 44 LYS HD3 H 1.74 . 1 418 . 45 LYS N N 113.8 . 1 419 . 45 LYS H H 7.70 . 1 420 . 45 LYS CA C 56.7 . 1 421 . 45 LYS HA H 4.37 . 1 422 . 45 LYS CB C 33.7 . 1 423 . 45 LYS HB2 H 1.86 . 2 424 . 45 LYS HB3 H 1.65 . 2 425 . 45 LYS CG C 24.9 . 1 426 . 45 LYS HG2 H 1.33 . 2 427 . 45 LYS HG3 H 1.23 . 2 428 . 46 ASN N N 116.4 . 1 429 . 46 ASN H H 7.90 . 1 430 . 46 ASN CA C 51.8 . 1 431 . 46 ASN HA H 5.73 . 1 432 . 46 ASN CB C 43.7 . 1 433 . 46 ASN HB2 H 2.34 . 2 434 . 46 ASN HB3 H 2.51 . 2 435 . 46 ASN ND2 N 114.8 . 1 436 . 46 ASN HD21 H 7.16 . 2 437 . 46 ASN HD22 H 6.93 . 2 438 . 47 ILE N N 121.7 . 1 439 . 47 ILE H H 8.74 . 1 440 . 47 ILE CA C 60.5 . 1 441 . 47 ILE CB C 38.4 . 1 442 . 47 ILE HB H 1.69 . 1 443 . 47 ILE HG2 H 0.94 . 1 444 . 47 ILE CG2 C 18.4 . 1 445 . 47 ILE CG1 C 27.8 . 1 446 . 47 ILE HG12 H 1.01 . 1 447 . 47 ILE HG13 H 1.01 . 1 448 . 47 ILE HD1 H 0.66 . 1 449 . 47 ILE CD1 C 13.4 . 1 450 . 48 ILE N N 122.1 . 1 451 . 48 ILE H H 9.34 . 1 452 . 48 ILE CA C 59.9 . 1 453 . 48 ILE HA H 4.68 . 1 454 . 48 ILE CB C 43.1 . 1 455 . 48 ILE HB H 2.12 . 1 456 . 48 ILE HG2 H 0.91 . 1 457 . 48 ILE CG2 C 18.8 . 1 458 . 48 ILE CG1 C 26.0 . 1 459 . 48 ILE HG12 H 1.38 . 1 460 . 48 ILE HG13 H 1.38 . 1 461 . 48 ILE HD1 H 0.81 . 1 462 . 48 ILE CD1 C 14.0 . 1 463 . 49 LEU N N 121.2 . 1 464 . 49 LEU H H 8.35 . 1 465 . 49 LEU CA C 55.8 . 1 466 . 49 LEU HA H 4.58 . 1 467 . 49 LEU CB C 42.9 . 1 468 . 49 LEU HB2 H 1.66 . 2 469 . 49 LEU HB3 H 1.57 . 2 470 . 49 LEU CG C 27.7 . 1 471 . 49 LEU HG H 1.65 . 1 472 . 49 LEU HD1 H 1.06 . 1 473 . 49 LEU HD2 H 1.06 . 1 474 . 49 LEU CD1 C 25.3 . 1 475 . 49 LEU CD2 C 25.3 . 1 476 . 50 GLU N N 126.6 . 1 477 . 50 GLU H H 8.56 . 1 478 . 50 GLU CA C 55.8 . 1 479 . 50 GLU HA H 4.38 . 1 480 . 50 GLU CB C 29.4 . 1 481 . 50 GLU HB2 H 1.46 . 1 482 . 50 GLU HB3 H 1.46 . 1 483 . 50 GLU CG C 36.9 . 1 484 . 50 GLU HG2 H 2.28 . 2 485 . 50 GLU HG3 H 2.08 . 2 486 . 51 GLU N N 130.6 . 1 487 . 51 GLU H H 8.45 . 1 488 . 51 GLU CA C 58.6 . 1 489 . 51 GLU HA H 3.98 . 1 490 . 51 GLU CB C 29.7 . 1 491 . 51 GLU HB2 H 2.00 . 1 492 . 51 GLU HB3 H 2.00 . 1 493 . 51 GLU CG C 36.1 . 1 494 . 51 GLU HG2 H 2.25 . 2 495 . 51 GLU HG3 H 2.30 . 2 496 . 52 GLY N N 112.9 . 1 497 . 52 GLY H H 9.15 . 1 498 . 52 GLY CA C 45.4 . 1 499 . 52 GLY HA2 H 3.83 . 2 500 . 52 GLY HA3 H 4.27 . 2 501 . 53 LYS N N 122.8 . 1 502 . 53 LYS H H 7.58 . 1 503 . 53 LYS CA C 53.2 . 1 504 . 53 LYS HA H 4.72 . 1 505 . 53 LYS CB C 30.7 . 1 506 . 53 LYS HB2 H 1.97 . 2 507 . 53 LYS HB3 H 1.70 . 2 508 . 53 LYS CG C 23.6 . 1 509 . 53 LYS HG2 H 1.42 . 2 510 . 53 LYS HG3 H 1.20 . 2 511 . 53 LYS HD2 H 1.62 . 1 512 . 53 LYS HD3 H 1.62 . 1 513 . 53 LYS CE C 38.6 . 1 514 . 53 LYS HE2 H 2.94 . 1 515 . 53 LYS HE3 H 2.94 . 1 516 . 54 GLU N N 115.7 . 1 517 . 54 GLU H H 7.47 . 1 518 . 54 GLU CA C 53.5 . 1 519 . 54 GLU HA H 5.12 . 1 520 . 54 GLU CB C 32.8 . 1 521 . 54 GLU HB2 H 2.04 . 2 522 . 54 GLU HB3 H 2.16 . 2 523 . 54 GLU CG C 33.4 . 1 524 . 54 GLU HG2 H 1.88 . 1 525 . 54 GLU HG3 H 1.88 . 1 526 . 55 ILE N N 118.8 . 1 527 . 55 ILE H H 8.51 . 1 528 . 55 ILE CA C 60.3 . 1 529 . 55 ILE HA H 4.40 . 1 530 . 55 ILE CB C 42.0 . 1 531 . 55 ILE HB H 1.46 . 1 532 . 55 ILE HG2 H 0.97 . 1 533 . 55 ILE CG2 C 16.9 . 1 534 . 55 ILE CG1 C 26.9 . 1 535 . 55 ILE HG12 H 1.14 . 1 536 . 55 ILE HG13 H 1.14 . 1 537 . 55 ILE HD1 H 0.92 . 1 538 . 55 ILE CD1 C 15.5 . 1 539 . 56 LEU N N 129.5 . 1 540 . 56 LEU H H 9.46 . 1 541 . 56 LEU CA C 53.5 . 1 542 . 56 LEU HA H 5.01 . 1 543 . 56 LEU CB C 41.7 . 1 544 . 56 LEU HB2 H 1.71 . 1 545 . 56 LEU HB3 H 1.71 . 1 546 . 56 LEU CG C 27.3 . 1 547 . 56 LEU HG H 1.70 . 1 548 . 56 LEU HD1 H 0.93 . 2 549 . 56 LEU HD2 H 0.75 . 2 550 . 56 LEU CD1 C 25.7 . 1 551 . 56 LEU CD2 C 23.2 . 1 552 . 57 VAL N N 124.0 . 1 553 . 57 VAL H H 9.18 . 1 554 . 57 VAL CA C 67.4 . 1 555 . 57 VAL HA H 3.41 . 1 556 . 57 VAL CB C 31.3 . 1 557 . 57 VAL HB H 2.23 . 1 558 . 57 VAL HG1 H 0.85 . 2 559 . 57 VAL HG2 H 0.80 . 2 560 . 57 VAL CG1 C 24.6 . 1 561 . 57 VAL CG2 C 21.4 . 1 562 . 58 GLY N N 104.4 . 1 563 . 58 GLY H H 8.67 . 1 564 . 58 GLY CA C 46.2 . 1 565 . 58 GLY HA2 H 3.99 . 2 566 . 58 GLY HA3 H 3.87 . 2 567 . 59 ASP N N 117.4 . 1 568 . 59 ASP H H 7.66 . 1 569 . 59 ASP CA C 55.9 . 1 570 . 59 ASP HA H 4.72 . 1 571 . 59 ASP CB C 41.6 . 1 572 . 59 ASP HB2 H 2.82 . 1 573 . 59 ASP HB3 H 2.82 . 1 574 . 60 VAL N N 123.5 . 1 575 . 60 VAL H H 7.73 . 1 576 . 60 VAL CA C 64.8 . 1 577 . 60 VAL HA H 4.07 . 1 578 . 60 VAL CB C 30.7 . 1 579 . 60 VAL HB H 2.37 . 1 580 . 60 VAL HG1 H 0.99 . 1 581 . 60 VAL HG2 H 0.99 . 1 582 . 60 VAL CG1 C 21.7 . 1 583 . 60 VAL CG2 C 21.7 . 1 584 . 61 GLY N N 116.6 . 1 585 . 61 GLY H H 8.91 . 1 586 . 61 GLY CA C 45.4 . 1 587 . 61 GLY HA2 H 3.85 . 2 588 . 61 GLY HA3 H 4.33 . 2 589 . 62 GLN N N 119.5 . 1 590 . 62 GLN H H 7.89 . 1 591 . 62 GLN CA C 56.3 . 1 592 . 62 GLN HA H 4.58 . 1 593 . 62 GLN CB C 29.7 . 1 594 . 62 GLN HB2 H 2.26 . 2 595 . 62 GLN HB3 H 2.04 . 2 596 . 62 GLN CG C 33.7 . 1 597 . 62 GLN HG2 H 2.31 . 2 598 . 62 GLN HG3 H 2.47 . 2 599 . 62 GLN NE2 N 112.5 . 1 600 . 62 GLN HE21 H 7.51 . 2 601 . 62 GLN HE22 H 6.79 . 2 602 . 63 THR N N 108.8 . 1 603 . 63 THR H H 7.92 . 1 604 . 63 THR CA C 61.9 . 1 605 . 63 THR HA H 4.43 . 1 606 . 63 THR CB C 69.8 . 1 607 . 63 THR HB H 4.34 . 1 608 . 63 THR HG2 H 1.25 . 1 609 . 63 THR CG2 C 22.4 . 1 610 . 64 VAL N N 121.9 . 1 611 . 64 VAL H H 7.75 . 1 612 . 64 VAL CA C 61.5 . 1 613 . 64 VAL HA H 4.24 . 1 614 . 64 VAL CB C 33.7 . 1 615 . 64 VAL HB H 1.82 . 1 616 . 64 VAL HG1 H 0.87 . 2 617 . 64 VAL HG2 H 0.99 . 2 618 . 64 VAL CG1 C 21.0 . 1 619 . 64 VAL CG2 C 21.3 . 1 620 . 65 ASP N N 126.7 . 1 621 . 65 ASP H H 8.43 . 1 622 . 65 ASP CA C 55.2 . 1 623 . 65 ASP HA H 4.65 . 1 624 . 65 ASP CB C 41.5 . 1 625 . 65 ASP HB2 H 2.62 . 1 626 . 65 ASP HB3 H 2.62 . 1 627 . 66 ASP N N 118.0 . 1 628 . 66 ASP H H 8.39 . 1 629 . 66 ASP CA C 50.6 . 1 630 . 66 ASP HA H 5.14 . 1 631 . 66 ASP CB C 41.8 . 1 632 . 66 ASP HB2 H 2.56 . 2 633 . 66 ASP HB3 H 3.06 . 2 634 . 67 PRO CD C 51.0 . 1 635 . 67 PRO CA C 65.0 . 1 636 . 67 PRO HA H 4.13 . 1 637 . 67 PRO CB C 31.5 . 1 638 . 67 PRO HB2 H 2.09 . 1 639 . 67 PRO HB3 H 2.09 . 1 640 . 67 PRO CG C 27.3 . 1 641 . 67 PRO HG2 H 2.36 . 2 642 . 67 PRO HG3 H 2.13 . 2 643 . 67 PRO HD2 H 4.27 . 2 644 . 67 PRO HD3 H 3.75 . 2 645 . 68 TYR N N 120.6 . 1 646 . 68 TYR H H 8.04 . 1 647 . 68 TYR CA C 62.9 . 1 648 . 68 TYR HA H 4.15 . 1 649 . 68 TYR CB C 38.2 . 1 650 . 68 TYR HB2 H 3.00 . 2 651 . 68 TYR HB3 H 2.92 . 2 652 . 68 TYR CD1 C 131.9 . 1 653 . 68 TYR HD1 H 6.32 . 1 654 . 68 TYR CE1 C 118.2 . 1 655 . 68 TYR HE1 H 6.23 . 1 656 . 68 TYR CE2 C 118.2 . 1 657 . 68 TYR HE2 H 6.23 . 1 658 . 68 TYR CD2 C 131.9 . 1 659 . 68 TYR HD2 H 6.32 . 1 660 . 68 TYR HH H 8.48 . 1 661 . 69 ALA N N 120.7 . 1 662 . 69 ALA H H 7.56 . 1 663 . 69 ALA CA C 54.5 . 1 664 . 69 ALA HA H 3.90 . 1 665 . 69 ALA HB H 1.42 . 1 666 . 69 ALA CB C 18.7 . 1 667 . 70 THR N N 114.5 . 1 668 . 70 THR H H 7.95 . 1 669 . 70 THR CA C 67.4 . 1 670 . 70 THR HA H 3.70 . 1 671 . 70 THR CB C 68.6 . 1 672 . 70 THR HB H 4.07 . 1 673 . 70 THR HG2 H 1.23 . 1 674 . 70 THR CG2 C 21.7 . 1 675 . 71 PHE N N 123.8 . 1 676 . 71 PHE H H 8.00 . 1 677 . 71 PHE CA C 60.5 . 1 678 . 71 PHE HA H 4.09 . 1 679 . 71 PHE CB C 38.4 . 1 680 . 71 PHE HB2 H 3.16 . 2 681 . 71 PHE HB3 H 3.04 . 2 682 . 71 PHE CD1 C 132.4 . 1 683 . 71 PHE HD1 H 6.58 . 1 684 . 71 PHE CE1 C 129.6 . 1 685 . 71 PHE HE1 H 6.70 . 1 686 . 71 PHE CZ C 128.4 . 1 687 . 71 PHE HZ H 6.66 . 1 688 . 71 PHE CE2 C 129.6 . 1 689 . 71 PHE HE2 H 6.70 . 1 690 . 71 PHE CD2 C 132.4 . 1 691 . 71 PHE HD2 H 6.58 . 1 692 . 72 VAL N N 117.3 . 1 693 . 72 VAL H H 7.71 . 1 694 . 72 VAL CA C 65.8 . 1 695 . 72 VAL HA H 2.53 . 1 696 . 72 VAL CB C 31.0 . 1 697 . 72 VAL HB H 1.69 . 1 698 . 72 VAL HG1 H 0.46 . 1 699 . 72 VAL HG2 H 0.46 . 1 700 . 72 VAL CG1 C 22.7 . 1 701 . 72 VAL CG2 C 22.7 . 1 702 . 73 LYS N N 116.7 . 1 703 . 73 LYS H H 7.08 . 1 704 . 73 LYS CA C 57.9 . 1 705 . 73 LYS HA H 3.87 . 1 706 . 73 LYS CB C 32.5 . 1 707 . 73 LYS HB2 H 1.82 . 2 708 . 73 LYS HB3 H 1.72 . 2 709 . 73 LYS CG C 25.8 . 1 710 . 73 LYS HG2 H 1.37 . 2 711 . 73 LYS HG3 H 1.54 . 2 712 . 73 LYS HD2 H 1.42 . 2 713 . 73 LYS HD3 H 1.23 . 2 714 . 73 LYS HE2 H 2.88 . 1 715 . 73 LYS HE3 H 2.88 . 1 716 . 74 MET N N 116.9 . 1 717 . 74 MET H H 7.47 . 1 718 . 74 MET CA C 56.9 . 1 719 . 74 MET HA H 4.04 . 1 720 . 74 MET CB C 34.2 . 1 721 . 74 MET HB2 H 1.86 . 2 722 . 74 MET HB3 H 2.10 . 2 723 . 74 MET CG C 32.1 . 1 724 . 74 MET HG2 H 2.71 . 2 725 . 74 MET HG3 H 2.43 . 2 726 . 74 MET HE H 1.88 . 1 727 . 74 MET CE C 16.6 . 1 728 . 75 LEU N N 120.1 . 1 729 . 75 LEU H H 6.77 . 1 730 . 75 LEU CA C 52.3 . 1 731 . 75 LEU HA H 3.73 . 1 732 . 75 LEU CB C 37.8 . 1 733 . 75 LEU HB2 H 0.80 . 2 734 . 75 LEU HB3 H -0.88 . 2 735 . 75 LEU CG C 24.3 . 1 736 . 75 LEU HG H -0.47 . 1 737 . 75 LEU HD1 H -0.06 . 1 738 . 75 LEU HD2 H -0.06 . 1 739 . 75 LEU CD1 C 20.8 . 1 740 . 75 LEU CD2 C 20.8 . 1 741 . 76 PRO CD C 50.6 . 1 742 . 76 PRO CA C 62.4 . 1 743 . 76 PRO HA H 4.51 . 1 744 . 76 PRO CB C 31.8 . 1 745 . 76 PRO HB2 H 2.27 . 2 746 . 76 PRO HB3 H 2.07 . 2 747 . 76 PRO CG C 26.6 . 1 748 . 76 PRO HG2 H 2.34 . 2 749 . 76 PRO HG3 H 1.81 . 2 750 . 76 PRO HD2 H 3.85 . 2 751 . 76 PRO HD3 H 3.32 . 2 752 . 77 ASP N N 120.3 . 1 753 . 77 ASP H H 8.57 . 1 754 . 77 ASP CA C 56.6 . 1 755 . 77 ASP HA H 4.54 . 1 756 . 77 ASP CB C 41.1 . 1 757 . 77 ASP HB2 H 2.80 . 2 758 . 77 ASP HB3 H 2.84 . 2 759 . 78 LYS N N 113.8 . 1 760 . 78 LYS H H 7.91 . 1 761 . 78 LYS CA C 54.5 . 1 762 . 78 LYS HA H 4.27 . 1 763 . 78 LYS CB C 32.8 . 1 764 . 78 LYS HB2 H 2.00 . 2 765 . 78 LYS HB3 H 1.56 . 2 766 . 78 LYS CG C 24.9 . 1 767 . 78 LYS HG2 H 1.30 . 2 768 . 78 LYS HG3 H 1.19 . 2 769 . 78 LYS CD C 29.7 . 1 770 . 78 LYS HD2 H 1.37 . 2 771 . 78 LYS HD3 H 1.48 . 2 772 . 78 LYS HE2 H 2.98 . 2 773 . 78 LYS HE3 H 2.93 . 2 774 . 79 ASP N N 115.2 . 1 775 . 79 ASP H H 7.22 . 1 776 . 79 ASP CA C 52.8 . 1 777 . 79 ASP HA H 4.92 . 1 778 . 79 ASP CB C 44.1 . 1 779 . 79 ASP HB2 H 2.63 . 2 780 . 79 ASP HB3 H 2.33 . 2 781 . 80 CYS N N 115.2 . 1 782 . 80 CYS H H 7.51 . 1 783 . 80 CYS CA C 56.9 . 1 784 . 80 CYS HA H 4.48 . 1 785 . 80 CYS CB C 28.9 . 1 786 . 80 CYS HB2 H 1.30 . 2 787 . 80 CYS HB3 H 2.28 . 2 788 . 81 ARG N N 116.2 . 1 789 . 81 ARG H H 9.06 . 1 790 . 81 ARG CA C 54.1 . 1 791 . 81 ARG HA H 4.67 . 1 792 . 81 ARG CB C 38.1 . 1 793 . 81 ARG HB2 H 1.67 . 2 794 . 81 ARG HB3 H 2.25 . 2 795 . 81 ARG HG2 H 1.43 . 1 796 . 81 ARG HG3 H 1.43 . 1 797 . 81 ARG HD2 H 3.06 . 1 798 . 81 ARG HD3 H 3.06 . 1 799 . 82 TYR N N 115.9 . 1 800 . 82 TYR H H 8.00 . 1 801 . 82 TYR CA C 55.0 . 1 802 . 82 TYR HA H 5.92 . 1 803 . 82 TYR CB C 41.8 . 1 804 . 82 TYR HB2 H 2.98 . 2 805 . 82 TYR HB3 H 3.40 . 2 806 . 82 TYR CD1 C 132.6 . 1 807 . 82 TYR HD1 H 7.05 . 1 808 . 82 TYR CE1 C 118.3 . 1 809 . 82 TYR HE1 H 6.27 . 1 810 . 82 TYR CE2 C 118.3 . 1 811 . 82 TYR HE2 H 6.27 . 1 812 . 82 TYR CD2 C 132.6 . 1 813 . 82 TYR HD2 H 7.05 . 1 814 . 82 TYR HH H 9.10 . 1 815 . 83 ALA N N 121.8 . 1 816 . 83 ALA H H 9.10 . 1 817 . 83 ALA CA C 51.3 . 1 818 . 83 ALA HA H 5.06 . 1 819 . 83 ALA HB H 1.52 . 1 820 . 83 ALA CB C 24.3 . 1 821 . 84 LEU N N 117.6 . 1 822 . 84 LEU H H 8.06 . 1 823 . 84 LEU CA C 53.4 . 1 824 . 84 LEU HA H 5.41 . 1 825 . 84 LEU CB C 46.2 . 1 826 . 84 LEU HB2 H 1.41 . 2 827 . 84 LEU HB3 H 1.64 . 2 828 . 84 LEU CG C 27.3 . 1 829 . 84 LEU HG H 1.83 . 1 830 . 84 LEU HD1 H 1.27 . 1 831 . 84 LEU HD2 H 1.27 . 1 832 . 84 LEU CD1 C 25.1 . 1 833 . 84 LEU CD2 C 25.1 . 1 834 . 85 TYR N N 123.4 . 1 835 . 85 TYR H H 8.74 . 1 836 . 85 TYR CA C 57.3 . 1 837 . 85 TYR HA H 4.45 . 1 838 . 85 TYR CB C 42.7 . 1 839 . 85 TYR HB2 H 1.83 . 2 840 . 85 TYR HB3 H 2.59 . 2 841 . 85 TYR CD1 C 132.0 . 1 842 . 85 TYR HD1 H 6.27 . 1 843 . 85 TYR CE1 C 117.7 . 1 844 . 85 TYR HE1 H 6.46 . 1 845 . 85 TYR CE2 C 117.7 . 1 846 . 85 TYR HE2 H 6.46 . 1 847 . 85 TYR CD2 C 132.0 . 1 848 . 85 TYR HD2 H 6.27 . 1 849 . 85 TYR HH H 9.22 . 1 850 . 86 ASP N N 129.0 . 1 851 . 86 ASP H H 8.09 . 1 852 . 86 ASP CA C 52.7 . 1 853 . 86 ASP HA H 4.87 . 1 854 . 86 ASP CB C 40.6 . 1 855 . 86 ASP HB2 H 1.97 . 2 856 . 86 ASP HB3 H 2.92 . 2 857 . 87 ALA N N 128.3 . 1 858 . 87 ALA H H 8.83 . 1 859 . 87 ALA CA C 51.6 . 1 860 . 87 ALA HA H 4.77 . 1 861 . 87 ALA HB H 1.40 . 1 862 . 87 ALA CB C 20.9 . 1 863 . 88 THR N N 119.4 . 1 864 . 88 THR H H 8.33 . 1 865 . 88 THR CA C 62.0 . 1 866 . 88 THR HA H 5.06 . 1 867 . 88 THR CB C 70.1 . 1 868 . 88 THR HB H 4.13 . 1 869 . 88 THR HG2 H 1.19 . 1 870 . 88 THR CG2 C 22.3 . 1 871 . 89 TYR N N 124.4 . 1 872 . 89 TYR H H 9.05 . 1 873 . 89 TYR CA C 56.1 . 1 874 . 89 TYR HA H 5.41 . 1 875 . 89 TYR CB C 39.2 . 1 876 . 89 TYR HB2 H 3.03 . 2 877 . 89 TYR HB3 H 3.29 . 2 878 . 89 TYR CD1 C 134.0 . 1 879 . 89 TYR HD1 H 6.73 . 1 880 . 89 TYR CE1 C 118.2 . 1 881 . 89 TYR HE1 H 6.50 . 1 882 . 89 TYR CE2 C 118.2 . 1 883 . 89 TYR HE2 H 6.50 . 1 884 . 89 TYR CD2 C 134.0 . 1 885 . 89 TYR HD2 H 6.73 . 1 886 . 90 GLU N N 117.1 . 1 887 . 90 GLU H H 8.12 . 1 888 . 90 GLU CA C 55.3 . 1 889 . 90 GLU HA H 5.11 . 1 890 . 90 GLU CB C 33.7 . 1 891 . 90 GLU HB2 H 1.82 . 2 892 . 90 GLU HB3 H 2.08 . 2 893 . 90 GLU CG C 36.6 . 1 894 . 90 GLU HG2 H 2.18 . 1 895 . 90 GLU HG3 H 2.18 . 1 896 . 91 THR N N 114.1 . 1 897 . 91 THR H H 8.61 . 1 898 . 91 THR CA C 59.5 . 1 899 . 91 THR HA H 5.30 . 1 900 . 91 THR CB C 71.9 . 1 901 . 91 THR HB H 4.72 . 1 902 . 91 THR HG2 H 1.25 . 1 903 . 91 THR CG2 C 21.4 . 1 904 . 92 LYS N N 117.8 . 1 905 . 92 LYS H H 9.05 . 1 906 . 92 LYS CA C 59.3 . 1 907 . 92 LYS HA H 4.02 . 1 908 . 92 LYS CB C 32.2 . 1 909 . 92 LYS HB2 H 1.88 . 1 910 . 92 LYS HB3 H 1.88 . 1 911 . 92 LYS CG C 25.7 . 1 912 . 92 LYS HG2 H 1.54 . 1 913 . 92 LYS HG3 H 1.54 . 1 914 . 92 LYS HD2 H 1.72 . 1 915 . 92 LYS HD3 H 1.72 . 1 916 . 93 GLU N N 114.2 . 1 917 . 93 GLU H H 7.96 . 1 918 . 93 GLU CA C 57.7 . 1 919 . 93 GLU HA H 4.33 . 1 920 . 93 GLU CB C 31.7 . 1 921 . 93 GLU HB2 H 1.90 . 2 922 . 93 GLU HB3 H 2.00 . 2 923 . 93 GLU CG C 36.5 . 1 924 . 93 GLU HG2 H 2.22 . 1 925 . 93 GLU HG3 H 2.22 . 1 926 . 94 SER N N 111.7 . 1 927 . 94 SER H H 7.44 . 1 928 . 94 SER CA C 58.2 . 1 929 . 94 SER HA H 4.65 . 1 930 . 94 SER CB C 66.0 . 1 931 . 94 SER HB2 H 3.69 . 1 932 . 94 SER HB3 H 3.69 . 1 933 . 95 LYS N N 123.0 . 1 934 . 95 LYS H H 8.30 . 1 935 . 95 LYS CA C 56.9 . 1 936 . 95 LYS HA H 4.56 . 1 937 . 95 LYS CB C 33.0 . 1 938 . 95 LYS HB2 H 1.67 . 2 939 . 95 LYS HB3 H 1.80 . 2 940 . 95 LYS CG C 25.1 . 1 941 . 95 LYS HG2 H 1.39 . 1 942 . 95 LYS HG3 H 1.39 . 1 943 . 95 LYS CD C 29.8 . 1 944 . 95 LYS HE2 H 2.87 . 1 945 . 95 LYS HE3 H 2.87 . 1 946 . 96 LYS N N 126.3 . 1 947 . 96 LYS H H 8.84 . 1 948 . 96 LYS CA C 54.9 . 1 949 . 96 LYS HA H 4.48 . 1 950 . 96 LYS CB C 36.5 . 1 951 . 96 LYS HB2 H 1.31 . 2 952 . 96 LYS HB3 H 0.10 . 2 953 . 96 LYS CG C 24.9 . 1 954 . 96 LYS HG2 H 1.02 . 2 955 . 96 LYS HG3 H 1.08 . 2 956 . 96 LYS CD C 28.8 . 1 957 . 96 LYS HD2 H 1.57 . 1 958 . 96 LYS HD3 H 1.57 . 1 959 . 96 LYS HE2 H 2.95 . 1 960 . 96 LYS HE3 H 2.95 . 1 961 . 97 GLU N N 117.2 . 1 962 . 97 GLU H H 7.59 . 1 963 . 97 GLU CA C 54.7 . 1 964 . 97 GLU HA H 5.61 . 1 965 . 97 GLU CB C 33.2 . 1 966 . 97 GLU HB2 H 1.96 . 2 967 . 97 GLU HB3 H 1.71 . 2 968 . 97 GLU CG C 36.5 . 1 969 . 97 GLU HG2 H 2.24 . 2 970 . 97 GLU HG3 H 2.07 . 2 971 . 98 ASP N N 121.1 . 1 972 . 98 ASP H H 9.07 . 1 973 . 98 ASP CA C 54.6 . 1 974 . 98 ASP HA H 5.12 . 1 975 . 98 ASP CB C 47.7 . 1 976 . 98 ASP HB2 H 2.66 . 2 977 . 98 ASP HB3 H 2.50 . 2 978 . 99 LEU N N 119.7 . 1 979 . 99 LEU H H 8.33 . 1 980 . 99 LEU CA C 54.7 . 1 981 . 99 LEU HA H 4.86 . 1 982 . 99 LEU CB C 44.0 . 1 983 . 99 LEU HB2 H 1.88 . 2 984 . 99 LEU HB3 H 1.49 . 2 985 . 99 LEU CG C 27.1 . 1 986 . 99 LEU HG H 1.76 . 1 987 . 99 LEU HD1 H 0.86 . 1 988 . 99 LEU HD2 H 0.86 . 1 989 . 99 LEU CD1 C 24.6 . 1 990 . 99 LEU CD2 C 24.6 . 1 991 . 100 VAL N N 122.6 . 1 992 . 100 VAL H H 9.30 . 1 993 . 100 VAL CA C 61.2 . 1 994 . 100 VAL HA H 4.58 . 1 995 . 100 VAL CB C 34.9 . 1 996 . 100 VAL HB H 2.19 . 1 997 . 100 VAL HG1 H 0.82 . 2 998 . 100 VAL HG2 H 0.95 . 2 999 . 100 VAL CG1 C 21.0 . 1 1000 . 100 VAL CG2 C 21.5 . 1 1001 . 101 PHE N N 127.5 . 1 1002 . 101 PHE H H 8.65 . 1 1003 . 101 PHE CA C 56.5 . 1 1004 . 101 PHE HA H 5.47 . 1 1005 . 101 PHE CB C 41.3 . 1 1006 . 101 PHE HB2 H 3.20 . 2 1007 . 101 PHE HB3 H 3.03 . 2 1008 . 101 PHE CD1 C 132.2 . 1 1009 . 101 PHE HD1 H 7.22 . 1 1010 . 101 PHE CE1 C 130.0 . 1 1011 . 101 PHE HE1 H 6.99 . 1 1012 . 101 PHE CZ C 130.0 . 1 1013 . 101 PHE HZ H 6.71 . 1 1014 . 101 PHE CE2 C 130.0 . 1 1015 . 101 PHE HE2 H 6.99 . 1 1016 . 101 PHE CD2 C 132.2 . 1 1017 . 101 PHE HD2 H 7.22 . 1 1018 . 102 ILE N N 128.9 . 1 1019 . 102 ILE H H 8.93 . 1 1020 . 102 ILE CA C 59.5 . 1 1021 . 102 ILE HA H 5.11 . 1 1022 . 102 ILE CB C 41.3 . 1 1023 . 102 ILE HB H 1.69 . 1 1024 . 102 ILE HG2 H 0.86 . 1 1025 . 102 ILE CG2 C 16.0 . 1 1026 . 102 ILE CG1 C 28.9 . 1 1027 . 102 ILE HG12 H 1.15 . 1 1028 . 102 ILE HG13 H 1.15 . 1 1029 . 102 ILE HD1 H 0.76 . 1 1030 . 102 ILE CD1 C 14.2 . 1 1031 . 103 PHE N N 125.8 . 1 1032 . 103 PHE H H 8.91 . 1 1033 . 103 PHE CA C 53.6 . 1 1034 . 103 PHE HA H 5.55 . 1 1035 . 103 PHE CB C 39.6 . 1 1036 . 103 PHE HB2 H 3.10 . 2 1037 . 103 PHE HB3 H 3.21 . 2 1038 . 103 PHE CD1 C 130.9 . 1 1039 . 103 PHE HD1 H 7.36 . 1 1040 . 103 PHE CE1 C 130.8 . 1 1041 . 103 PHE HE1 H 7.13 . 1 1042 . 103 PHE CZ C 133.0 . 1 1043 . 103 PHE HZ H 7.05 . 1 1044 . 103 PHE CE2 C 130.8 . 1 1045 . 103 PHE HE2 H 7.13 . 1 1046 . 103 PHE CD2 C 130.9 . 1 1047 . 103 PHE HD2 H 7.36 . 1 1048 . 104 TRP N N 131.0 . 1 1049 . 104 TRP H H 8.80 . 1 1050 . 104 TRP CA C 54.8 . 1 1051 . 104 TRP HA H 4.94 . 1 1052 . 104 TRP CB C 32.0 . 1 1053 . 104 TRP HB2 H 3.03 . 2 1054 . 104 TRP HB3 H 2.66 . 2 1055 . 104 TRP CD1 C 127.2 . 1 1056 . 104 TRP CE3 C 120.0 . 1 1057 . 104 TRP NE1 N 133.2 . 1 1058 . 104 TRP HD1 H 6.79 . 1 1059 . 104 TRP HE3 H 6.97 . 1 1060 . 104 TRP CZ3 C 119.7 . 1 1061 . 104 TRP CZ2 C 115.1 . 1 1062 . 104 TRP HE1 H 11.08 . 1 1063 . 104 TRP HZ3 H 6.31 . 1 1064 . 104 TRP CH2 C 123.0 . 1 1065 . 104 TRP HZ2 H 6.93 . 1 1066 . 104 TRP HH2 H 6.02 . 1 1067 . 105 ALA N N 128.9 . 1 1068 . 105 ALA H H 7.61 . 1 1069 . 105 ALA CA C 48.2 . 1 1070 . 105 ALA HA H 4.46 . 1 1071 . 105 ALA HB H 0.21 . 1 1072 . 105 ALA CB C 18.4 . 1 1073 . 106 PRO CD C 48.6 . 1 1074 . 106 PRO CA C 61.9 . 1 1075 . 106 PRO HA H 3.46 . 1 1076 . 106 PRO CB C 31.0 . 1 1077 . 106 PRO HB2 H 1.58 . 2 1078 . 106 PRO HB3 H 0.96 . 2 1079 . 106 PRO HG2 H 1.15 . 2 1080 . 106 PRO HG3 H 1.45 . 2 1081 . 106 PRO HD2 H 0.63 . 2 1082 . 106 PRO HD3 H 2.60 . 2 1083 . 107 GLU N N 120.7 . 1 1084 . 107 GLU H H 7.76 . 1 1085 . 107 GLU CA C 58.7 . 1 1086 . 107 GLU HA H 3.80 . 1 1087 . 107 GLU CB C 29.6 . 1 1088 . 107 GLU HB2 H 2.00 . 1 1089 . 107 GLU HB3 H 2.00 . 1 1090 . 107 GLU CG C 35.9 . 1 1091 . 107 GLU HG2 H 2.27 . 2 1092 . 107 GLU HG3 H 2.31 . 2 1093 . 108 SER N N 109.0 . 1 1094 . 108 SER H H 7.74 . 1 1095 . 108 SER CA C 58.4 . 1 1096 . 108 SER HA H 4.25 . 1 1097 . 108 SER CB C 63.3 . 1 1098 . 108 SER HB2 H 3.91 . 2 1099 . 108 SER HB3 H 3.87 . 2 1100 . 109 ALA N N 124.6 . 1 1101 . 109 ALA H H 7.42 . 1 1102 . 109 ALA CA C 50.4 . 1 1103 . 109 ALA HA H 4.33 . 1 1104 . 109 ALA HB H 1.01 . 1 1105 . 109 ALA CB C 17.7 . 1 1106 . 110 PRO CD C 50.9 . 1 1107 . 110 PRO CA C 62.7 . 1 1108 . 110 PRO HA H 4.43 . 1 1109 . 110 PRO CB C 32.4 . 1 1110 . 110 PRO HB2 H 2.52 . 2 1111 . 110 PRO HB3 H 1.93 . 2 1112 . 110 PRO CG C 28.2 . 1 1113 . 110 PRO HG2 H 2.23 . 2 1114 . 110 PRO HG3 H 2.17 . 2 1115 . 110 PRO HD2 H 4.07 . 2 1116 . 110 PRO HD3 H 3.59 . 2 1117 . 111 LEU N N 126.9 . 1 1118 . 111 LEU H H 8.73 . 1 1119 . 111 LEU CA C 58.9 . 1 1120 . 111 LEU HA H 3.93 . 1 1121 . 111 LEU CB C 41.6 . 1 1122 . 111 LEU HB2 H 1.65 . 2 1123 . 111 LEU HB3 H 1.73 . 2 1124 . 111 LEU HD1 H 0.97 . 1 1125 . 111 LEU HD2 H 0.97 . 1 1126 . 111 LEU CD1 C 23.7 . 1 1127 . 111 LEU CD2 C 23.7 . 1 1128 . 112 LYS N N 115.5 . 1 1129 . 112 LYS H H 8.82 . 1 1130 . 112 LYS CA C 59.7 . 1 1131 . 112 LYS HA H 4.06 . 1 1132 . 112 LYS CB C 32.2 . 1 1133 . 112 LYS HB2 H 1.86 . 1 1134 . 112 LYS HB3 H 1.86 . 1 1135 . 112 LYS CG C 25.4 . 1 1136 . 112 LYS HG2 H 1.47 . 1 1137 . 112 LYS HG3 H 1.47 . 1 1138 . 112 LYS HD2 H 1.59 . 1 1139 . 112 LYS HD3 H 1.59 . 1 1140 . 113 SER N N 112.7 . 1 1141 . 113 SER H H 7.06 . 1 1142 . 113 SER CA C 61.2 . 1 1143 . 113 SER HA H 4.49 . 1 1144 . 113 SER CB C 63.2 . 1 1145 . 113 SER HB2 H 4.15 . 1 1146 . 113 SER HB3 H 4.15 . 1 1147 . 114 LYS N N 121.2 . 1 1148 . 114 LYS H H 8.11 . 1 1149 . 114 LYS CA C 60.9 . 1 1150 . 114 LYS HA H 4.16 . 1 1151 . 114 LYS CB C 32.0 . 1 1152 . 114 LYS HB2 H 1.82 . 2 1153 . 114 LYS HB3 H 1.75 . 2 1154 . 114 LYS CG C 26.1 . 1 1155 . 114 LYS HG2 H 1.03 . 2 1156 . 114 LYS HG3 H 1.25 . 2 1157 . 114 LYS HD2 H 1.44 . 2 1158 . 114 LYS HD3 H 1.58 . 2 1159 . 114 LYS HE2 H 2.72 . 2 1160 . 114 LYS HE3 H 2.84 . 2 1161 . 115 MET N N 115.8 . 1 1162 . 115 MET H H 8.55 . 1 1163 . 115 MET CA C 59.1 . 1 1164 . 115 MET HA H 4.28 . 1 1165 . 115 MET CB C 32.6 . 1 1166 . 115 MET HB2 H 2.18 . 1 1167 . 115 MET HB3 H 2.18 . 1 1168 . 115 MET CG C 32.3 . 1 1169 . 115 MET HG2 H 2.61 . 2 1170 . 115 MET HG3 H 2.78 . 2 1171 . 115 MET HE H 2.11 . 1 1172 . 115 MET CE C 16.6 . 1 1173 . 116 ILE N N 120.9 . 1 1174 . 116 ILE H H 7.89 . 1 1175 . 116 ILE CA C 64.6 . 1 1176 . 116 ILE HA H 4.08 . 1 1177 . 116 ILE CB C 38.1 . 1 1178 . 116 ILE HB H 1.93 . 1 1179 . 116 ILE HG2 H 0.94 . 1 1180 . 116 ILE CG2 C 18.2 . 1 1181 . 116 ILE CG1 C 29.0 . 1 1182 . 116 ILE HG12 H 1.72 . 2 1183 . 116 ILE HG13 H 1.15 . 2 1184 . 116 ILE HD1 H 0.90 . 1 1185 . 116 ILE CD1 C 13.9 . 1 1186 . 117 TYR N N 121.5 . 1 1187 . 117 TYR H H 8.86 . 1 1188 . 117 TYR CA C 62.2 . 1 1189 . 117 TYR HA H 4.24 . 1 1190 . 117 TYR CB C 37.8 . 1 1191 . 117 TYR HB2 H 3.26 . 2 1192 . 117 TYR HB3 H 2.83 . 2 1193 . 117 TYR HD1 H 7.13 . 1 1194 . 117 TYR HE1 H 7.06 . 1 1195 . 117 TYR HE2 H 7.06 . 1 1196 . 117 TYR HD2 H 7.13 . 1 1197 . 118 ALA N N 123.3 . 1 1198 . 118 ALA H H 8.97 . 1 1199 . 118 ALA CA C 56.1 . 1 1200 . 118 ALA HA H 4.18 . 1 1201 . 118 ALA HB H 1.72 . 1 1202 . 118 ALA CB C 18.2 . 1 1203 . 119 SER N N 113.5 . 1 1204 . 119 SER H H 8.31 . 1 1205 . 119 SER CA C 61.2 . 1 1206 . 119 SER HA H 4.37 . 1 1207 . 119 SER CB C 63.1 . 1 1208 . 119 SER HB2 H 4.05 . 2 1209 . 119 SER HB3 H 4.10 . 2 1210 . 120 SER N N 115.0 . 1 1211 . 120 SER H H 7.52 . 1 1212 . 120 SER CA C 59.6 . 1 1213 . 120 SER HA H 4.58 . 1 1214 . 120 SER CB C 63.7 . 1 1215 . 120 SER HB2 H 3.82 . 2 1216 . 120 SER HB3 H 4.03 . 2 1217 . 121 LYS N N 121.8 . 1 1218 . 121 LYS H H 7.06 . 1 1219 . 121 LYS CA C 59.9 . 1 1220 . 121 LYS HA H 3.54 . 1 1221 . 121 LYS CB C 31.5 . 1 1222 . 121 LYS HB2 H 1.77 . 1 1223 . 121 LYS HB3 H 1.77 . 1 1224 . 121 LYS CG C 24.3 . 1 1225 . 121 LYS HG2 H 1.31 . 1 1226 . 121 LYS HG3 H 1.31 . 1 1227 . 121 LYS HD2 H 1.71 . 1 1228 . 121 LYS HD3 H 1.71 . 1 1229 . 121 LYS HE2 H 2.90 . 1 1230 . 121 LYS HE3 H 2.90 . 1 1231 . 122 ASP N N 117.4 . 1 1232 . 122 ASP H H 8.37 . 1 1233 . 122 ASP CA C 57.4 . 1 1234 . 122 ASP HA H 4.22 . 1 1235 . 122 ASP CB C 40.3 . 1 1236 . 122 ASP HB2 H 2.49 . 2 1237 . 122 ASP HB3 H 2.59 . 2 1238 . 123 ALA N N 121.5 . 1 1239 . 123 ALA H H 7.61 . 1 1240 . 123 ALA CA C 54.8 . 1 1241 . 123 ALA HA H 3.93 . 1 1242 . 123 ALA HB H 1.36 . 1 1243 . 123 ALA CB C 17.9 . 1 1244 . 124 ILE N N 114.6 . 1 1245 . 124 ILE H H 7.23 . 1 1246 . 124 ILE CA C 63.2 . 1 1247 . 124 ILE HA H 3.74 . 1 1248 . 124 ILE CB C 37.2 . 1 1249 . 124 ILE HB H 1.42 . 1 1250 . 124 ILE HG2 H 0.40 . 1 1251 . 124 ILE CG2 C 16.2 . 1 1252 . 124 ILE CG1 C 29.3 . 1 1253 . 124 ILE HG12 H 0.70 . 2 1254 . 124 ILE HG13 H 1.15 . 2 1255 . 124 ILE HD1 H 0.43 . 1 1256 . 124 ILE CD1 C 14.3 . 1 1257 . 125 LYS N N 121.5 . 1 1258 . 125 LYS H H 7.88 . 1 1259 . 125 LYS CA C 59.4 . 1 1260 . 125 LYS HA H 3.24 . 1 1261 . 125 LYS CB C 31.2 . 1 1262 . 125 LYS HB2 H 1.42 . 2 1263 . 125 LYS HB3 H 1.63 . 2 1264 . 125 LYS CG C 25.0 . 1 1265 . 125 LYS HG2 H 1.11 . 2 1266 . 125 LYS HG3 H 0.86 . 2 1267 . 126 LYS N N 115.7 . 1 1268 . 126 LYS H H 7.66 . 1 1269 . 126 LYS CA C 58.4 . 1 1270 . 126 LYS HA H 3.87 . 1 1271 . 126 LYS CB C 32.5 . 1 1272 . 126 LYS HB2 H 1.76 . 1 1273 . 126 LYS HB3 H 1.76 . 1 1274 . 126 LYS CG C 25.5 . 1 1275 . 126 LYS HG2 H 1.38 . 2 1276 . 126 LYS HG3 H 1.46 . 2 1277 . 126 LYS HE2 H 2.89 . 1 1278 . 126 LYS HE3 H 2.89 . 1 1279 . 127 LYS N N 115.5 . 1 1280 . 127 LYS H H 7.04 . 1 1281 . 127 LYS CA C 55.4 . 1 1282 . 127 LYS HA H 4.23 . 1 1283 . 127 LYS CB C 32.5 . 1 1284 . 127 LYS HB2 H 1.72 . 1 1285 . 127 LYS HB3 H 1.72 . 1 1286 . 127 LYS CG C 24.7 . 1 1287 . 127 LYS HG2 H 1.47 . 1 1288 . 127 LYS HG3 H 1.47 . 1 1289 . 127 LYS CD C 28.7 . 1 1290 . 127 LYS HD2 H 1.55 . 1 1291 . 127 LYS HD3 H 1.55 . 1 1292 . 127 LYS HE2 H 2.95 . 1 1293 . 127 LYS HE3 H 2.95 . 1 1294 . 128 LEU N N 122.8 . 1 1295 . 128 LEU H H 7.33 . 1 1296 . 128 LEU CA C 52.3 . 1 1297 . 128 LEU HA H 3.64 . 1 1298 . 128 LEU CB C 37.1 . 1 1299 . 128 LEU HB2 H 1.27 . 2 1300 . 128 LEU HB3 H 0.08 . 2 1301 . 128 LEU CG C 27.4 . 1 1302 . 128 LEU HG H 1.31 . 1 1303 . 128 LEU HD1 H 0.29 . 2 1304 . 128 LEU HD2 H 0.07 . 2 1305 . 128 LEU CD1 C 25.4 . 1 1306 . 128 LEU CD2 C 21.9 . 1 1307 . 129 THR N N 113.6 . 1 1308 . 129 THR H H 7.15 . 1 1309 . 129 THR CA C 63.5 . 1 1310 . 129 THR HA H 3.90 . 1 1311 . 129 THR CB C 69.4 . 1 1312 . 129 THR HB H 4.10 . 1 1313 . 129 THR HG2 H 1.20 . 1 1314 . 129 THR CG2 C 21.9 . 1 1315 . 130 GLY N N 112.2 . 1 1316 . 130 GLY H H 8.76 . 1 1317 . 130 GLY CA C 45.4 . 1 1318 . 130 GLY HA2 H 4.31 . 2 1319 . 130 GLY HA3 H 3.70 . 2 1320 . 131 ILE N N 121.3 . 1 1321 . 131 ILE H H 7.85 . 1 1322 . 131 ILE CA C 61.8 . 1 1323 . 131 ILE HA H 4.25 . 1 1324 . 131 ILE CB C 37.7 . 1 1325 . 131 ILE HB H 1.89 . 1 1326 . 131 ILE HG2 H 1.01 . 1 1327 . 131 ILE CG2 C 18.8 . 1 1328 . 131 ILE CG1 C 28.8 . 1 1329 . 131 ILE HG12 H 1.24 . 1 1330 . 131 ILE HG13 H 1.24 . 1 1331 . 131 ILE HD1 H 0.89 . 1 1332 . 131 ILE CD1 C 14.7 . 1 1333 . 132 LYS N N 127.8 . 1 1334 . 132 LYS H H 9.36 . 1 1335 . 132 LYS CA C 57.0 . 1 1336 . 132 LYS HA H 4.28 . 1 1337 . 132 LYS CB C 34.0 . 1 1338 . 132 LYS HB2 H 1.45 . 1 1339 . 132 LYS HB3 H 1.45 . 1 1340 . 132 LYS CG C 24.7 . 1 1341 . 132 LYS HG2 H 1.33 . 1 1342 . 132 LYS HG3 H 1.33 . 1 1343 . 132 LYS CD C 29.2 . 1 1344 . 132 LYS HD2 H 1.62 . 1 1345 . 132 LYS HD3 H 1.62 . 1 1346 . 133 HIS N N 116.6 . 1 1347 . 133 HIS H H 7.13 . 1 1348 . 133 HIS CA C 55.3 . 1 1349 . 133 HIS HA H 5.05 . 1 1350 . 133 HIS CB C 34.4 . 1 1351 . 133 HIS HB2 H 3.25 . 2 1352 . 133 HIS HB3 H 2.72 . 2 1353 . 133 HIS CE1 C 139.0 . 1 1354 . 133 HIS HE1 H 7.92 . 1 1355 . 134 GLU N N 123.0 . 1 1356 . 134 GLU H H 8.84 . 1 1357 . 134 GLU CA C 54.0 . 1 1358 . 134 GLU HA H 5.90 . 1 1359 . 134 GLU CB C 33.8 . 1 1360 . 134 GLU HB2 H 2.07 . 1 1361 . 134 GLU HB3 H 2.07 . 1 1362 . 134 GLU CG C 36.4 . 1 1363 . 134 GLU HG2 H 2.29 . 2 1364 . 134 GLU HG3 H 2.19 . 2 1365 . 135 LEU N N 124.9 . 1 1366 . 135 LEU H H 9.00 . 1 1367 . 135 LEU CA C 54.2 . 1 1368 . 135 LEU HA H 4.79 . 1 1369 . 135 LEU CB C 46.4 . 1 1370 . 135 LEU HB2 H 1.75 . 2 1371 . 135 LEU HB3 H 1.29 . 2 1372 . 135 LEU CG C 27.6 . 1 1373 . 135 LEU HG H 1.51 . 1 1374 . 135 LEU HD1 H 0.86 . 2 1375 . 135 LEU HD2 H 0.82 . 2 1376 . 135 LEU CD1 C 25.3 . 1 1377 . 135 LEU CD2 C 25.3 . 1 1378 . 136 GLN N N 126.6 . 1 1379 . 136 GLN H H 8.96 . 1 1380 . 136 GLN CA C 54.4 . 1 1381 . 136 GLN HA H 5.45 . 1 1382 . 136 GLN CB C 30.1 . 1 1383 . 136 GLN HB2 H 2.08 . 2 1384 . 136 GLN HB3 H 2.24 . 2 1385 . 136 GLN CG C 33.9 . 1 1386 . 136 GLN HG2 H 2.13 . 2 1387 . 136 GLN HG3 H 2.21 . 2 1388 . 136 GLN NE2 N 111.6 . 1 1389 . 136 GLN HE21 H 7.63 . 2 1390 . 136 GLN HE22 H 6.79 . 2 1391 . 137 ALA N N 126.7 . 1 1392 . 137 ALA H H 8.53 . 1 1393 . 137 ALA CA C 50.3 . 1 1394 . 137 ALA HA H 4.94 . 1 1395 . 137 ALA HB H 1.44 . 1 1396 . 137 ALA CB C 22.9 . 1 1397 . 138 ASN N N 118.4 . 1 1398 . 138 ASN H H 9.26 . 1 1399 . 138 ASN CA C 52.4 . 1 1400 . 138 ASN HA H 4.54 . 1 1401 . 138 ASN CB C 40.4 . 1 1402 . 138 ASN HB2 H 2.79 . 2 1403 . 138 ASN HB3 H 2.70 . 2 1404 . 138 ASN ND2 N 112.5 . 1 1405 . 138 ASN HD21 H 7.78 . 2 1406 . 138 ASN HD22 H 6.76 . 2 1407 . 139 CYS N N 109.8 . 1 1408 . 139 CYS H H 7.52 . 1 1409 . 139 CYS CA C 55.9 . 1 1410 . 139 CYS CB C 29.7 . 1 1411 . 139 CYS HB2 H 3.60 . 2 1412 . 139 CYS HB3 H 3.21 . 2 1413 . 140 TYR N N 124.0 . 1 1414 . 140 TYR H H 9.51 . 1 1415 . 140 TYR CA C 62.1 . 1 1416 . 140 TYR HA H 4.35 . 1 1417 . 140 TYR CB C 38.4 . 1 1418 . 140 TYR HB2 H 3.19 . 2 1419 . 140 TYR HB3 H 2.91 . 2 1420 . 140 TYR CD1 C 132.8 . 1 1421 . 140 TYR HD1 H 6.95 . 1 1422 . 140 TYR CE1 C 118.5 . 1 1423 . 140 TYR HE1 H 6.62 . 1 1424 . 140 TYR CE2 C 118.5 . 1 1425 . 140 TYR HE2 H 6.62 . 1 1426 . 140 TYR CD2 C 132.8 . 1 1427 . 140 TYR HD2 H 6.95 . 1 1428 . 141 GLU N N 118.4 . 1 1429 . 141 GLU H H 9.47 . 1 1430 . 141 GLU CA C 60.9 . 1 1431 . 141 GLU HA H 3.77 . 1 1432 . 141 GLU CB C 28.7 . 1 1433 . 141 GLU HB2 H 2.22 . 2 1434 . 141 GLU HB3 H 2.04 . 2 1435 . 141 GLU CG C 37.4 . 1 1436 . 141 GLU HG2 H 2.33 . 2 1437 . 141 GLU HG3 H 2.59 . 2 1438 . 142 GLU N N 116.1 . 1 1439 . 142 GLU H H 7.34 . 1 1440 . 142 GLU CA C 58.1 . 1 1441 . 142 GLU HA H 4.32 . 1 1442 . 142 GLU CB C 31.4 . 1 1443 . 142 GLU HB2 H 2.26 . 1 1444 . 142 GLU HB3 H 2.26 . 1 1445 . 142 GLU CG C 37.5 . 1 1446 . 142 GLU HG2 H 2.35 . 2 1447 . 142 GLU HG3 H 2.40 . 2 1448 . 143 VAL N N 115.1 . 1 1449 . 143 VAL H H 7.49 . 1 1450 . 143 VAL CA C 62.5 . 1 1451 . 143 VAL HA H 4.34 . 1 1452 . 143 VAL CB C 33.5 . 1 1453 . 143 VAL HB H 1.93 . 1 1454 . 143 VAL HG1 H 0.79 . 2 1455 . 143 VAL HG2 H 0.82 . 2 1456 . 143 VAL CG1 C 20.8 . 1 1457 . 143 VAL CG2 C 22.0 . 1 1458 . 144 LYS N N 118.8 . 1 1459 . 144 LYS H H 7.90 . 1 1460 . 144 LYS CA C 58.1 . 1 1461 . 144 LYS HA H 3.96 . 1 1462 . 144 LYS CB C 32.2 . 1 1463 . 144 LYS HB2 H 1.43 . 2 1464 . 144 LYS HB3 H 1.63 . 2 1465 . 144 LYS CG C 24.7 . 1 1466 . 144 LYS HG2 H 1.36 . 1 1467 . 144 LYS HG3 H 1.36 . 1 1468 . 144 LYS HD2 H 2.28 . 1 1469 . 144 LYS HD3 H 2.28 . 1 1470 . 144 LYS HE2 H 2.91 . 1 1471 . 144 LYS HE3 H 2.91 . 1 1472 . 145 ASP N N 118.5 . 1 1473 . 145 ASP H H 7.41 . 1 1474 . 145 ASP CA C 53.7 . 1 1475 . 145 ASP HA H 4.67 . 1 1476 . 145 ASP CB C 41.5 . 1 1477 . 145 ASP HB2 H 3.07 . 2 1478 . 145 ASP HB3 H 2.66 . 2 1479 . 146 ARG N N 127.1 . 1 1480 . 146 ARG H H 8.70 . 1 1481 . 146 ARG CA C 58.9 . 1 1482 . 146 ARG HA H 3.58 . 1 1483 . 146 ARG CB C 30.2 . 1 1484 . 146 ARG HB2 H 1.63 . 2 1485 . 146 ARG HB3 H 1.71 . 2 1486 . 146 ARG CG C 28.3 . 1 1487 . 146 ARG HG2 H 1.71 . 2 1488 . 146 ARG HG3 H 1.44 . 2 1489 . 146 ARG CD C 43.6 . 1 1490 . 146 ARG HD2 H 3.32 . 2 1491 . 146 ARG HD3 H 3.19 . 2 1492 . 147 CYS N N 117.0 . 1 1493 . 147 CYS H H 8.55 . 1 1494 . 147 CYS CA C 62.4 . 1 1495 . 147 CYS HA H 3.98 . 1 1496 . 147 CYS CB C 26.5 . 1 1497 . 147 CYS HB2 H 3.03 . 2 1498 . 147 CYS HB3 H 2.96 . 2 1499 . 148 THR N N 119.0 . 1 1500 . 148 THR H H 7.80 . 1 1501 . 148 THR CA C 66.1 . 1 1502 . 148 THR HA H 3.91 . 1 1503 . 148 THR CB C 68.0 . 1 1504 . 148 THR HB H 4.25 . 1 1505 . 148 THR HG2 H 1.24 . 1 1506 . 148 THR CG2 C 22.6 . 1 1507 . 149 LEU N N 122.1 . 1 1508 . 149 LEU H H 7.07 . 1 1509 . 149 LEU CA C 57.6 . 1 1510 . 149 LEU HA H 3.87 . 1 1511 . 149 LEU CB C 40.7 . 1 1512 . 149 LEU HB2 H 1.23 . 2 1513 . 149 LEU HB3 H 1.41 . 2 1514 . 149 LEU HD1 H 0.70 . 2 1515 . 149 LEU HD2 H 0.44 . 2 1516 . 149 LEU CD1 C 23.6 . 1 1517 . 149 LEU CD2 C 25.8 . 1 1518 . 150 ALA N N 119.1 . 1 1519 . 150 ALA H H 8.01 . 1 1520 . 150 ALA CA C 55.8 . 1 1521 . 150 ALA HA H 3.53 . 1 1522 . 150 ALA HB H 1.33 . 1 1523 . 150 ALA CB C 19.1 . 1 1524 . 151 GLU N N 116.4 . 1 1525 . 151 GLU H H 8.01 . 1 1526 . 151 GLU CA C 59.3 . 1 1527 . 151 GLU HA H 3.89 . 1 1528 . 151 GLU CB C 29.2 . 1 1529 . 151 GLU HB2 H 2.13 . 2 1530 . 151 GLU HB3 H 2.08 . 2 1531 . 151 GLU CG C 36.1 . 1 1532 . 151 GLU HG2 H 2.23 . 2 1533 . 151 GLU HG3 H 2.34 . 2 1534 . 152 LYS N N 118.7 . 1 1535 . 152 LYS H H 7.43 . 1 1536 . 152 LYS CA C 57.3 . 1 1537 . 152 LYS HA H 4.13 . 1 1538 . 152 LYS CB C 31.0 . 1 1539 . 152 LYS HB2 H 1.95 . 2 1540 . 152 LYS HB3 H 1.84 . 2 1541 . 152 LYS CG C 25.6 . 1 1542 . 152 LYS HG2 H 1.23 . 2 1543 . 152 LYS HG3 H -0.05 . 2 1544 . 152 LYS HD2 H 0.85 . 1 1545 . 152 LYS HD3 H 0.85 . 1 1546 . 152 LYS HE2 H 3.56 . 1 1547 . 152 LYS HE3 H 3.56 . 1 1548 . 153 LEU N N 116.6 . 1 1549 . 153 LEU H H 7.41 . 1 1550 . 153 LEU CA C 56.0 . 1 1551 . 153 LEU HA H 3.60 . 1 1552 . 153 LEU CB C 41.5 . 1 1553 . 153 LEU HB2 H 0.42 . 2 1554 . 153 LEU HB3 H 1.10 . 2 1555 . 153 LEU HG H 1.23 . 1 1556 . 153 LEU HD1 H -0.03 . 1 1557 . 153 LEU HD2 H -0.03 . 1 1558 . 153 LEU CD1 C 20.7 . 1 1559 . 153 LEU CD2 C 20.7 . 1 1560 . 154 GLY N N 102.2 . 1 1561 . 154 GLY H H 7.52 . 1 1562 . 154 GLY CA C 46.4 . 1 1563 . 154 GLY HA2 H 3.67 . 2 1564 . 154 GLY HA3 H 4.27 . 2 1565 . 155 GLY N N 113.1 . 1 1566 . 155 GLY H H 8.70 . 1 1567 . 155 GLY CA C 46.6 . 1 1568 . 155 GLY HA2 H 3.88 . 2 1569 . 155 GLY HA3 H 4.15 . 2 1570 . 156 SER N N 120.5 . 1 1571 . 156 SER H H 8.89 . 1 1572 . 156 SER CA C 59.8 . 1 1573 . 156 SER HA H 4.32 . 1 1574 . 156 SER CB C 63.1 . 1 1575 . 156 SER HB2 H 4.01 . 2 1576 . 156 SER HB3 H 3.95 . 2 1577 . 157 ALA N N 121.7 . 1 1578 . 157 ALA H H 7.66 . 1 1579 . 157 ALA CA C 52.8 . 1 1580 . 157 ALA HA H 4.29 . 1 1581 . 157 ALA HB H 1.55 . 1 1582 . 157 ALA CB C 19.6 . 1 1583 . 158 VAL N N 117.8 . 1 1584 . 158 VAL H H 7.33 . 1 1585 . 158 VAL CA C 63.8 . 1 1586 . 158 VAL HA H 4.01 . 1 1587 . 158 VAL CB C 31.2 . 1 1588 . 158 VAL HB H 2.05 . 1 1589 . 158 VAL HG1 H 1.01 . 2 1590 . 158 VAL HG2 H 0.83 . 2 1591 . 158 VAL CG1 C 23.1 . 1 1592 . 158 VAL CG2 C 22.4 . 1 1593 . 159 ILE N N 120.8 . 1 1594 . 159 ILE H H 8.82 . 1 1595 . 159 ILE CA C 61.3 . 1 1596 . 159 ILE HA H 4.50 . 1 1597 . 159 ILE CB C 39.3 . 1 1598 . 159 ILE HB H 1.95 . 1 1599 . 159 ILE HG2 H 0.89 . 1 1600 . 159 ILE CG2 C 18.1 . 1 1601 . 159 ILE CG1 C 26.9 . 1 1602 . 159 ILE HG12 H 0.78 . 2 1603 . 159 ILE HG13 H 1.21 . 2 1604 . 159 ILE HD1 H 0.69 . 1 1605 . 159 ILE CD1 C 13.5 . 1 1606 . 160 SER N N 116.4 . 1 1607 . 160 SER H H 7.83 . 1 1608 . 160 SER CA C 57.4 . 1 1609 . 160 SER HA H 4.67 . 1 1610 . 160 SER CB C 64.7 . 1 1611 . 160 SER HB2 H 3.60 . 2 1612 . 160 SER HB3 H 3.41 . 2 1613 . 161 LEU N N 121.6 . 1 1614 . 161 LEU H H 8.30 . 1 1615 . 161 LEU CA C 54.9 . 1 1616 . 161 LEU HA H 4.89 . 1 1617 . 161 LEU CB C 46.1 . 1 1618 . 161 LEU HB2 H 1.68 . 2 1619 . 161 LEU HB3 H 1.20 . 2 1620 . 161 LEU HD1 H 0.66 . 2 1621 . 161 LEU HD2 H 0.89 . 2 1622 . 161 LEU CD1 C 26.6 . 1 1623 . 161 LEU CD2 C 24.1 . 1 1624 . 162 GLU N N 126.7 . 1 1625 . 162 GLU H H 9.97 . 1 1626 . 162 GLU CA C 56.0 . 1 1627 . 162 GLU HA H 4.09 . 1 1628 . 162 GLU CB C 26.3 . 1 1629 . 162 GLU HB2 H 2.13 . 2 1630 . 162 GLU HB3 H 2.30 . 2 1631 . 162 GLU CG C 32.2 . 1 1632 . 162 GLU HG2 H 2.46 . 2 1633 . 162 GLU HG3 H 2.50 . 2 1634 . 163 GLY N N 106.1 . 1 1635 . 163 GLY H H 9.55 . 1 1636 . 163 GLY CA C 45.3 . 1 1637 . 163 GLY HA2 H 4.13 . 2 1638 . 163 GLY HA3 H 3.58 . 2 1639 . 164 LYS N N 121.0 . 1 1640 . 164 LYS H H 7.63 . 1 1641 . 164 LYS CA C 52.5 . 1 1642 . 164 LYS HA H 4.98 . 1 1643 . 164 LYS CB C 33.9 . 1 1644 . 164 LYS HB2 H 1.86 . 2 1645 . 164 LYS HB3 H 1.75 . 2 1646 . 164 LYS CG C 25.5 . 1 1647 . 164 LYS HG2 H 1.36 . 2 1648 . 164 LYS HG3 H 1.47 . 2 1649 . 165 PRO CD C 51.1 . 1 1650 . 165 PRO CA C 62.8 . 1 1651 . 165 PRO HA H 4.52 . 1 1652 . 165 PRO CB C 32.4 . 1 1653 . 165 PRO HB2 H 2.40 . 2 1654 . 165 PRO HB3 H 1.96 . 2 1655 . 165 PRO CG C 27.5 . 1 1656 . 165 PRO HG2 H 2.07 . 2 1657 . 165 PRO HG3 H 1.99 . 2 1658 . 165 PRO HD2 H 3.67 . 2 1659 . 165 PRO HD3 H 3.92 . 2 1660 . 166 LEU N N 129.1 . 1 1661 . 166 LEU H H 7.63 . 1 1662 . 166 LEU CA C 56.7 . 1 1663 . 166 LEU HA H 4.08 . 1 1664 . 166 LEU CB C 42.4 . 1 1665 . 166 LEU HB2 H 1.43 . 2 1666 . 166 LEU HB3 H 1.56 . 2 1667 . 166 LEU CG C 26.0 . 1 1668 . 166 LEU HG H 0.68 . 1 1669 . 166 LEU HD1 H 0.67 . 1 1670 . 166 LEU HD2 H 0.67 . 1 1671 . 166 LEU CD1 C 24.1 . 1 1672 . 166 LEU CD2 C 24.1 . 1 stop_ save_