data_5483 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of AmpD, an N-acetylmuramyl-L-alanine amidase. ; _BMRB_accession_number 5483 _BMRB_flat_file_name bmr5483.str _Entry_type original _Submission_date 2002-07-30 _Accession_date 2002-07-30 _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 Liepinsh Edvards . . 2 Genereux Catherine . . 3 Dehareng Dominique . . 4 Joris Bernard . . 5 Otting Gottfried . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1054 "13C chemical shifts" 630 "15N chemical shifts" 202 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-04-23 original author . stop_ _Original_release_date 2003-04-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Structure of Citrobacter freundii AmpD, Comparison with Bacteriophage T7 Lysozyme and Homology with PGRP Domains ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22541932 _PubMed_ID 12654266 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liepinsh Edvards . . 2 Genereux Catherine . . 3 Dehareng Dominique . . 4 Joris Bernard . . 5 Otting Gottfried . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 327 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 833 _Page_last 842 _Year 2003 _Details . loop_ _Keyword AmpD 'NMR structure' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; Edvards Liepinsh, Catherine Genereux, Dominique Dehareng, Bernard Joris and Gottfried Otting, NMR structure of AmpD: structural conservation of peptidoglycan recognition proteins. ; _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_system_AmpD _Saveframe_category molecular_system _Mol_system_name 'N-acetylmuramyl-L-alanine amidase' _Abbreviation_common AmpD _Enzyme_commission_number 3.5.1.28 loop_ _Mol_system_component_name _Mol_label 'AmpD 1' $AmpD 'Zinc ion' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_AmpD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'single chain biopolymer' _Abbreviation_common AmpD _Molecular_mass 19805 _Mol_thiol_state 'all free' _Details 'molecule contains Zn atom' ############################## # Polymer residue sequence # ############################## _Residue_count 187 _Mol_residue_sequence ; MLLDEGWLAEARRVPSPHYD CRPDDENPSLLVVHNISLPP GEFGGPWIDALFTGTIDPNA HPYFAGIAHLRVSAHCLIRR DGEIVQYVPFDKRAWHAGVS SYQGRERCNDFSIGIELEGT DTLAYTDAQYQQLAAVTNAL ITRYPAIANNMTGHCNIAPE RKTDPGPSFDWARFRALVTP SSHKEMT ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LEU 3 LEU 4 ASP 5 GLU 6 GLY 7 TRP 8 LEU 9 ALA 10 GLU 11 ALA 12 ARG 13 ARG 14 VAL 15 PRO 16 SER 17 PRO 18 HIS 19 TYR 20 ASP 21 CYS 22 ARG 23 PRO 24 ASP 25 ASP 26 GLU 27 ASN 28 PRO 29 SER 30 LEU 31 LEU 32 VAL 33 VAL 34 HIS 35 ASN 36 ILE 37 SER 38 LEU 39 PRO 40 PRO 41 GLY 42 GLU 43 PHE 44 GLY 45 GLY 46 PRO 47 TRP 48 ILE 49 ASP 50 ALA 51 LEU 52 PHE 53 THR 54 GLY 55 THR 56 ILE 57 ASP 58 PRO 59 ASN 60 ALA 61 HIS 62 PRO 63 TYR 64 PHE 65 ALA 66 GLY 67 ILE 68 ALA 69 HIS 70 LEU 71 ARG 72 VAL 73 SER 74 ALA 75 HIS 76 CYS 77 LEU 78 ILE 79 ARG 80 ARG 81 ASP 82 GLY 83 GLU 84 ILE 85 VAL 86 GLN 87 TYR 88 VAL 89 PRO 90 PHE 91 ASP 92 LYS 93 ARG 94 ALA 95 TRP 96 HIS 97 ALA 98 GLY 99 VAL 100 SER 101 SER 102 TYR 103 GLN 104 GLY 105 ARG 106 GLU 107 ARG 108 CYS 109 ASN 110 ASP 111 PHE 112 SER 113 ILE 114 GLY 115 ILE 116 GLU 117 LEU 118 GLU 119 GLY 120 THR 121 ASP 122 THR 123 LEU 124 ALA 125 TYR 126 THR 127 ASP 128 ALA 129 GLN 130 TYR 131 GLN 132 GLN 133 LEU 134 ALA 135 ALA 136 VAL 137 THR 138 ASN 139 ALA 140 LEU 141 ILE 142 THR 143 ARG 144 TYR 145 PRO 146 ALA 147 ILE 148 ALA 149 ASN 150 ASN 151 MET 152 THR 153 GLY 154 HIS 155 CYS 156 ASN 157 ILE 158 ALA 159 PRO 160 GLU 161 ARG 162 LYS 163 THR 164 ASP 165 PRO 166 GLY 167 PRO 168 SER 169 PHE 170 ASP 171 TRP 172 ALA 173 ARG 174 PHE 175 ARG 176 ALA 177 LEU 178 VAL 179 THR 180 PRO 181 SER 182 SER 183 HIS 184 LYS 185 GLU 186 MET 187 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1J3G "Solution Structure Of Citrobacter Freundii Ampd" 100.00 187 100.00 100.00 1.37e-136 PDB 2Y28 "Crystal Structure Of Se-Met Ampd Derivative" 99.47 187 98.92 98.92 2.09e-133 PDB 2Y2B "Crystal Structure Of Ampd In Complex With Reaction Products" 100.00 187 100.00 100.00 1.37e-136 PDB 2Y2C "Crystal Structure Of Ampd Apoenzyme" 100.00 187 100.00 100.00 1.37e-136 PDB 2Y2D "Crystal Structure Of Ampd Holoenzyme" 100.00 187 100.00 100.00 1.37e-136 PDB 2Y2E "Crystal Structure Of Ampd Grown At Ph 5.5" 100.00 187 100.00 100.00 1.37e-136 DBJ GAL38703 "1,6-anhydro-N-acetylmuramyl-L-alanine amidase AmpD [Citrobacter freundii NBRC 12681]" 100.00 187 100.00 100.00 1.37e-136 EMBL CAA78390 "AmpD protein [Citrobacter freundii]" 100.00 187 100.00 100.00 1.37e-136 EMBL CDL37434 "N-acetylmuramoyl-L-alanine amidase AmpD [Escherichia coli ISC11]" 100.00 187 98.93 99.47 3.42e-135 GB EEH95053 "1,6-anhydro-N-acetylmuramyl-L-alanine amidase AmpD [Citrobacter sp. 30_2]" 100.00 187 99.47 99.47 5.63e-136 GB EFE07580 "protein AmpD [Citrobacter youngae ATCC 29220]" 100.00 187 97.33 98.93 1.71e-133 GB EHL83818 "1,6-anhydro-N-acetylmuramyl-L-alanine amidase AmpD [Citrobacter freundii 4_7_47CFAA]" 100.00 187 98.93 99.47 2.84e-135 GB EJF22884 "1,6-anhydro-N-acetylmuramyl-L-alanine amidase AmpD [Citrobacter sp. A1]" 100.00 187 100.00 100.00 1.37e-136 GB EKS57727 "N-acetyl-anhydromuranmyl-L-alanine amidase [Citrobacter freundii ATCC 8090 = MTCC 1658]" 100.00 187 100.00 100.00 1.37e-136 REF WP_003018719 "MULTISPECIES: N-acetyl-anhydromuranmyl-L-alanine amidase [Enterobacteriaceae]" 100.00 187 100.00 100.00 1.37e-136 REF WP_003829500 "N-acetyl-anhydromuranmyl-L-alanine amidase [Citrobacter freundii]" 100.00 187 98.93 99.47 2.84e-135 REF WP_006686718 "N-acetyl-anhydromuranmyl-L-alanine amidase [Citrobacter youngae]" 100.00 187 97.33 98.93 1.71e-133 REF WP_008786207 "N-acetyl-anhydromuranmyl-L-alanine amidase [Citrobacter sp. 30_2]" 100.00 187 99.47 99.47 5.63e-136 REF WP_016151712 "MULTISPECIES: 1,6-anhydro-N-acetylmuramyl-L-alanine amidase AmpD [Citrobacter]" 100.00 187 99.47 100.00 4.57e-136 SP P82974 "RecName: Full=1,6-anhydro-N-acetylmuramyl-L-alanine amidase AmpD; AltName: Full=N-acetylmuramoyl-L-alanine amidase [Citrobacter" 100.00 187 100.00 100.00 1.37e-136 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 20 13:11:59 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AmpD . 546 Bacteria . Citrobacter freundii stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $AmpD 'recombinant technology' 'E. coli' Escherichia coli HMS174 plasmid pET-3a 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 $AmpD 0.3 mM . $ZN . mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AmpD 0.3 mg/ml '[U-95% 15N]' $ZN . mM . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $AmpD 0.3 mM '[U-95% 13C; U-95% 15N]' $ZN . mM . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version . loop_ _Task 'spectral processing' stop_ _Details . save_ save_PROSA _Saveframe_category software _Name PROSA _Version . loop_ _Task 'spectral processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H DQF-COSY' _Sample_label . save_ save_2D_1H-1H_HOHAHA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H HOHAHA' _Sample_label . save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label . save_ save_3D_HNHB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label . save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_2D_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label . save_ save_3D_1H-1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N TOCSY' _Sample_label . save_ save_3D_1H-1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _Sample_label . save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HNCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_HN(CO)CA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label . save_ save_3D_CBCA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HNCO(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO(CO)NH' _Sample_label . save_ save_3D_H(C)CH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH-TOCSY' _Sample_label . save_ save_3D_HC(C)H-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(C)H-TOCSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H DQF-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H HOHAHA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(C)H-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 0.2 na temperature 304 1 K 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 . . . 1.000000000 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H DQF-COSY' '2D 1H-1H HOHAHA' '2D 1H-1H NOESY' '3D HNHB' '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-1H-15N TOCSY' '3D 1H-1H-15N NOESY' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCO(CO)NH' '3D H(C)CH-TOCSY' '3D HC(C)H-TOCSY' stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'AmpD 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET CA C 53.7 0.2 1 2 . 1 MET HA H 4.164 0.02 1 3 . 1 MET HB2 H 1.989 0.02 1 4 . 1 MET HB3 H 2.137 0.02 1 5 . 1 MET HG2 H 2.459 0.02 2 6 . 1 MET HG3 H 2.505 0.02 2 7 . 1 MET HE H 2.059 0.02 1 8 . 2 LEU N N 125.5 0.2 1 9 . 2 LEU H H 9.109 0.02 1 10 . 2 LEU CA C 55.0 0.2 1 11 . 2 LEU HA H 4.597 0.02 1 12 . 2 LEU CB C 44.7 0.2 1 13 . 2 LEU HB2 H 1.589 0.02 1 14 . 2 LEU HB3 H 1.622 0.02 1 15 . 2 LEU HG H 1.565 0.02 1 16 . 2 LEU HD1 H 0.858 0.02 1 17 . 2 LEU HD2 H 0.892 0.02 1 18 . 2 LEU CD1 C 24.6 0.2 1 19 . 2 LEU CD2 C 23.6 0.2 1 20 . 2 LEU C C 175.6 0.2 1 21 . 3 LEU N N 123.5 0.2 1 22 . 3 LEU H H 8.430 0.02 1 23 . 3 LEU CA C 54.5 0.2 1 24 . 3 LEU HA H 4.862 0.02 1 25 . 3 LEU CB C 44.4 0.2 1 26 . 3 LEU HB2 H 1.564 0.02 1 27 . 3 LEU HB3 H 1.643 0.02 1 28 . 3 LEU HG H 1.572 0.02 1 29 . 3 LEU HD1 H 0.752 0.02 1 30 . 3 LEU HD2 H 0.807 0.02 1 31 . 3 LEU CD1 C 25.2 0.2 1 32 . 3 LEU CD2 C 23.7 0.2 1 33 . 3 LEU C C 176.3 0.2 1 34 . 4 ASP N N 124.1 0.2 1 35 . 4 ASP H H 9.259 0.02 1 36 . 4 ASP CA C 54.2 0.2 1 37 . 4 ASP HA H 4.753 0.02 1 38 . 4 ASP CB C 43.1 0.2 1 39 . 4 ASP HB2 H 2.439 0.02 1 40 . 4 ASP HB3 H 2.729 0.02 1 41 . 4 ASP C C 176.0 0.2 1 42 . 5 GLU N N 121.9 0.2 1 43 . 5 GLU H H 8.959 0.02 1 44 . 5 GLU CA C 57.5 0.2 1 45 . 5 GLU HA H 3.911 0.02 1 46 . 5 GLU CB C 29.6 0.2 1 47 . 5 GLU HB2 H 2.269 0.02 1 48 . 5 GLU HB3 H 2.269 0.02 1 49 . 5 GLU HG2 H 2.396 0.02 1 50 . 5 GLU HG3 H 2.396 0.02 1 51 . 5 GLU C C 176.1 0.2 1 52 . 6 GLY N N 105.5 0.2 1 53 . 6 GLY H H 8.363 0.02 1 54 . 6 GLY CA C 45.6 0.2 1 55 . 6 GLY HA2 H 3.975 0.02 1 56 . 6 GLY HA3 H 3.975 0.02 1 57 . 6 GLY C C 172.8 0.2 1 58 . 7 TRP N N 119.0 0.2 1 59 . 7 TRP H H 7.777 0.02 1 60 . 7 TRP CA C 55.0 0.2 1 61 . 7 TRP HA H 4.517 0.02 1 62 . 7 TRP HB2 H 2.801 0.02 1 63 . 7 TRP HB3 H 2.936 0.02 1 64 . 7 TRP CD1 C 129.1 0.2 1 65 . 7 TRP CE3 C 119.0 0.2 1 66 . 7 TRP NE1 N 129.3 0.2 1 67 . 7 TRP HD1 H 7.106 0.02 1 68 . 7 TRP HE3 H 7.025 0.02 1 69 . 7 TRP CZ3 C 120.1 0.2 1 70 . 7 TRP CZ2 C 114.1 0.2 1 71 . 7 TRP HE1 H 10.069 0.02 1 72 . 7 TRP HZ3 H 6.425 0.02 1 73 . 7 TRP CH2 C 122.0 0.2 1 74 . 7 TRP HZ2 H 7.251 0.02 1 75 . 7 TRP HH2 H 6.485 0.02 1 76 . 7 TRP C C 176.3 0.2 1 77 . 8 LEU N N 124.3 0.2 1 78 . 8 LEU H H 9.707 0.02 1 79 . 8 LEU CA C 54.6 0.2 1 80 . 8 LEU HA H 4.723 0.02 1 81 . 8 LEU CB C 43.4 0.2 1 82 . 8 LEU HB2 H 1.662 0.02 1 83 . 8 LEU HB3 H 1.837 0.02 1 84 . 8 LEU HG H 2.001 0.02 1 85 . 8 LEU HD1 H 1.000 0.02 1 86 . 8 LEU HD2 H 1.087 0.02 1 87 . 8 LEU CD1 C 25.7 0.2 1 88 . 8 LEU CD2 C 21.7 0.2 1 89 . 8 LEU C C 178.5 0.2 1 90 . 9 ALA N N 129.6 0.2 1 91 . 9 ALA H H 9.015 0.02 1 92 . 9 ALA CA C 55.0 0.2 1 93 . 9 ALA HA H 4.118 0.02 1 94 . 9 ALA HB H 1.427 0.02 1 95 . 9 ALA CB C 19.1 0.2 1 96 . 9 ALA C C 179.0 0.2 1 97 . 10 GLU N N 113.2 0.2 1 98 . 10 GLU H H 8.488 0.02 1 99 . 10 GLU CA C 57.0 0.2 1 100 . 10 GLU HA H 4.233 0.02 1 101 . 10 GLU CB C 30.6 0.2 1 102 . 10 GLU HB2 H 1.915 0.02 1 103 . 10 GLU HB3 H 2.201 0.02 1 104 . 10 GLU HG2 H 2.380 0.02 1 105 . 10 GLU HG3 H 2.380 0.02 1 106 . 10 GLU C C 176.2 0.2 1 107 . 11 ALA N N 119.8 0.2 1 108 . 11 ALA H H 7.098 0.02 1 109 . 11 ALA CA C 51.7 0.2 1 110 . 11 ALA HA H 4.386 0.02 1 111 . 11 ALA HB H 1.334 0.02 1 112 . 11 ALA CB C 21.4 0.2 1 113 . 11 ALA C C 177.2 0.2 1 114 . 12 ARG N N 124.1 0.2 1 115 . 12 ARG H H 8.529 0.02 1 116 . 12 ARG CA C 56.6 0.2 1 117 . 12 ARG HA H 4.286 0.02 1 118 . 12 ARG CB C 32.4 0.2 1 119 . 12 ARG HB2 H 1.763 0.02 1 120 . 12 ARG HB3 H 1.847 0.02 1 121 . 12 ARG HG2 H 1.673 0.02 1 122 . 12 ARG HG3 H 1.673 0.02 1 123 . 12 ARG HD2 H 3.201 0.02 1 124 . 12 ARG HD3 H 3.201 0.02 1 125 . 12 ARG C C 175.1 0.2 1 126 . 13 ARG N N 126.8 0.2 1 127 . 13 ARG H H 8.694 0.02 1 128 . 13 ARG CA C 56.5 0.2 1 129 . 13 ARG HA H 4.649 0.02 1 130 . 13 ARG CB C 30.0 0.2 1 131 . 13 ARG HB2 H 1.822 0.02 2 132 . 13 ARG HB3 H 1.958 0.02 2 133 . 13 ARG C C 176.4 0.2 1 134 . 14 VAL N N 127.4 0.2 1 135 . 14 VAL H H 8.359 0.02 1 136 . 14 VAL CA C 59.4 0.2 1 137 . 14 VAL HA H 4.120 0.02 1 138 . 14 VAL HB H 1.765 0.02 1 139 . 14 VAL HG1 H 0.813 0.02 1 140 . 14 VAL HG2 H 0.573 0.02 1 141 . 14 VAL CG1 C 21.5 0.2 1 142 . 14 VAL CG2 C 21.8 0.2 1 143 . 14 VAL C C 171.1 0.2 1 144 . 15 PRO CA C 63.8 0.2 1 145 . 15 PRO HA H 4.488 0.02 1 146 . 15 PRO HB2 H 1.965 0.02 2 147 . 15 PRO HB3 H 2.226 0.02 2 148 . 15 PRO HG2 H 1.589 0.02 2 149 . 15 PRO HG3 H 2.027 0.02 2 150 . 15 PRO HD2 H 3.155 0.02 2 151 . 15 PRO HD3 H 3.484 0.02 2 152 . 15 PRO C C 177.4 0.2 1 153 . 16 SER N N 118.0 0.2 1 154 . 16 SER H H 8.730 0.02 1 155 . 16 SER CA C 54.0 0.2 1 156 . 16 SER HA H 4.791 0.02 1 157 . 16 SER HB2 H 3.528 0.02 1 158 . 16 SER HB3 H 3.849 0.02 1 159 . 16 SER HG H 6.114 0.02 1 160 . 17 PRO CA C 63.0 0.2 1 161 . 17 PRO HA H 4.199 0.02 1 162 . 17 PRO HD2 H 3.370 0.02 2 163 . 17 PRO HD3 H 3.716 0.02 2 164 . 17 PRO C C 176.9 0.2 1 165 . 18 HIS N N 123.4 0.2 1 166 . 18 HIS H H 8.118 0.02 1 167 . 18 HIS CA C 51.2 0.2 1 168 . 18 HIS HA H 4.110 0.02 1 169 . 18 HIS CB C 28.0 0.2 1 170 . 18 HIS HB2 H 2.403 0.02 1 171 . 18 HIS HB3 H 2.652 0.02 1 172 . 18 HIS ND1 N 177.5 0.2 1 173 . 18 HIS NE2 N 173.6 0.2 1 174 . 18 HIS HD2 H 7.208 0.02 1 175 . 18 HIS HE1 H 8.470 0.02 1 176 . 18 HIS C C 170.4 0.2 1 177 . 19 TYR N N 116.3 0.2 1 178 . 19 TYR H H 6.763 0.02 1 179 . 19 TYR CA C 55.7 0.2 1 180 . 19 TYR HA H 3.726 0.02 1 181 . 19 TYR CB C 35.9 0.2 1 182 . 19 TYR HB2 H 2.303 0.02 1 183 . 19 TYR HB3 H 2.376 0.02 1 184 . 19 TYR CD1 C 133.6 0.2 1 185 . 19 TYR HD1 H 6.798 0.02 1 186 . 19 TYR CE1 C 117.8 0.2 1 187 . 19 TYR HE1 H 6.752 0.02 1 188 . 19 TYR CE2 C 117.8 0.2 1 189 . 19 TYR HE2 H 6.752 0.02 1 190 . 19 TYR CD2 C 133.6 0.2 1 191 . 19 TYR HD2 H 6.798 0.02 1 192 . 19 TYR C C 171.5 0.2 1 193 . 20 ASP N N 121.6 0.2 1 194 . 20 ASP H H 8.547 0.02 1 195 . 20 ASP CA C 52.8 0.2 1 196 . 20 ASP HA H 4.504 0.02 1 197 . 20 ASP CB C 40.8 0.2 1 198 . 20 ASP HB2 H 3.220 0.02 1 199 . 20 ASP HB3 H 3.318 0.02 1 200 . 20 ASP C C 174.8 0.2 1 201 . 21 CYS N N 115.9 0.2 1 202 . 21 CYS H H 8.198 0.02 1 203 . 21 CYS CA C 59.9 0.2 1 204 . 21 CYS HA H 4.767 0.02 1 205 . 21 CYS CB C 29.1 0.2 1 206 . 21 CYS HB2 H 2.871 0.02 1 207 . 21 CYS HB3 H 3.070 0.02 1 208 . 21 CYS C C 175.8 0.2 1 209 . 22 ARG N N 122.4 0.2 1 210 . 22 ARG H H 9.549 0.02 1 211 . 22 ARG CA C 55.5 0.2 1 212 . 22 ARG HA H 4.314 0.02 1 213 . 22 ARG HB2 H 1.738 0.02 1 214 . 22 ARG HB3 H 1.930 0.02 1 215 . 22 ARG HG2 H 1.632 0.02 2 216 . 22 ARG HG3 H 1.715 0.02 2 217 . 22 ARG HD2 H 3.334 0.02 2 218 . 22 ARG HD3 H 3.414 0.02 2 219 . 22 ARG HE H 5.578 0.02 1 220 . 22 ARG C C 174.7 0.2 1 221 . 23 PRO CA C 63.6 0.2 1 222 . 23 PRO HA H 4.323 0.02 1 223 . 23 PRO HB2 H 1.950 0.02 2 224 . 23 PRO HB3 H 2.280 0.02 2 225 . 23 PRO HG2 H 2.013 0.02 2 226 . 23 PRO HG3 H 2.158 0.02 2 227 . 23 PRO HD2 H 3.676 0.02 2 228 . 23 PRO HD3 H 3.889 0.02 2 229 . 23 PRO C C 177.5 0.2 1 230 . 24 ASP N N 120.7 0.2 1 231 . 24 ASP H H 8.892 0.02 1 232 . 24 ASP CA C 56.0 0.2 1 233 . 24 ASP HA H 4.298 0.02 1 234 . 24 ASP CB C 40.9 0.2 1 235 . 24 ASP HB3 H 2.697 0.02 1 236 . 24 ASP HB2 H 2.855 0.02 1 237 . 24 ASP C C 174.7 0.2 1 238 . 25 ASP N N 115.1 0.2 1 239 . 25 ASP H H 8.413 0.02 1 240 . 25 ASP CA C 55.5 0.2 1 241 . 25 ASP HA H 4.288 0.02 1 242 . 25 ASP CB C 40.6 0.2 1 243 . 25 ASP HB2 H 2.694 0.02 2 244 . 25 ASP HB3 H 2.950 0.02 2 245 . 25 ASP C C 175.4 0.2 1 246 . 26 GLU N N 119.4 0.2 1 247 . 26 GLU H H 7.192 0.02 1 248 . 26 GLU CA C 57.1 0.2 1 249 . 26 GLU HA H 3.962 0.02 1 250 . 26 GLU CB C 31.8 0.2 1 251 . 26 GLU HB2 H 1.791 0.02 1 252 . 26 GLU HB3 H 2.023 0.02 1 253 . 26 GLU HG2 H 2.298 0.02 1 254 . 26 GLU HG3 H 2.298 0.02 1 255 . 26 GLU C C 176.2 0.2 1 256 . 27 ASN N N 123.2 0.2 1 257 . 27 ASN H H 8.665 0.02 1 258 . 27 ASN CA C 50.9 0.2 1 259 . 27 ASN HA H 4.924 0.02 1 260 . 27 ASN HB2 H 2.639 0.02 1 261 . 27 ASN HB3 H 2.839 0.02 1 262 . 27 ASN ND2 N 113.2 0.2 1 263 . 27 ASN HD22 H 7.280 0.02 1 264 . 27 ASN HD21 H 7.688 0.02 1 265 . 27 ASN C C 173.2 0.2 1 266 . 28 PRO CA C 62.8 0.2 1 267 . 28 PRO HA H 3.998 0.02 1 268 . 28 PRO HD2 H 3.031 0.02 2 269 . 28 PRO HD3 H 3.299 0.02 2 270 . 28 PRO C C 174.8 0.2 1 271 . 29 SER N N 110.1 0.2 1 272 . 29 SER H H 8.411 0.02 1 273 . 29 SER CA C 56.9 0.2 1 274 . 29 SER HA H 4.264 0.02 1 275 . 29 SER CB C 64.1 0.2 1 276 . 29 SER HB2 H 3.572 0.02 1 277 . 29 SER HB3 H 3.988 0.02 1 278 . 29 SER C C 171.2 0.2 1 279 . 30 LEU N N 120.8 0.2 1 280 . 30 LEU H H 7.153 0.02 1 281 . 30 LEU CA C 53.7 0.2 1 282 . 30 LEU HA H 4.912 0.02 1 283 . 30 LEU HB2 H 1.229 0.02 1 284 . 30 LEU HB3 H 1.275 0.02 1 285 . 30 LEU HG H 0.773 0.02 1 286 . 30 LEU HD1 H 0.108 0.02 1 287 . 30 LEU HD2 H -0.099 0.02 1 288 . 30 LEU CD1 C 20.9 0.2 1 289 . 30 LEU CD2 C 26.1 0.2 1 290 . 30 LEU C C 173.8 0.2 1 291 . 31 LEU N N 129.5 0.2 1 292 . 31 LEU H H 8.686 0.02 1 293 . 31 LEU CA C 53.9 0.2 1 294 . 31 LEU HA H 4.888 0.02 1 295 . 31 LEU CB C 46.2 0.2 1 296 . 31 LEU HB2 H 1.261 0.02 1 297 . 31 LEU HB3 H 1.953 0.02 1 298 . 31 LEU HG H 1.339 0.02 1 299 . 31 LEU HD1 H 0.716 0.02 1 300 . 31 LEU HD2 H 0.896 0.02 1 301 . 31 LEU CD1 C 24.6 0.2 1 302 . 31 LEU CD2 C 26.9 0.2 1 303 . 31 LEU C C 174.0 0.2 1 304 . 32 VAL N N 125.5 0.2 1 305 . 32 VAL H H 8.962 0.02 1 306 . 32 VAL CA C 60.6 0.2 1 307 . 32 VAL HA H 4.486 0.02 1 308 . 32 VAL HB H 1.792 0.02 1 309 . 32 VAL HG1 H 0.105 0.02 1 310 . 32 VAL HG2 H 0.584 0.02 1 311 . 32 VAL CG1 C 20.4 0.2 1 312 . 32 VAL CG2 C 21.4 0.2 1 313 . 32 VAL C C 173.8 0.2 1 314 . 33 VAL N N 127.3 0.2 1 315 . 33 VAL H H 8.752 0.02 1 316 . 33 VAL CA C 62.5 0.2 1 317 . 33 VAL HA H 4.220 0.02 1 318 . 33 VAL HB H 1.343 0.02 1 319 . 33 VAL HG1 H -0.088 0.02 1 320 . 33 VAL HG2 H 0.435 0.02 1 321 . 33 VAL CG1 C 21.0 0.2 1 322 . 33 VAL CG2 C 21.2 0.2 1 323 . 33 VAL C C 174.3 0.2 1 324 . 34 HIS N N 124.2 0.2 1 325 . 34 HIS H H 8.375 0.02 1 326 . 34 HIS CA C 54.4 0.2 1 327 . 34 HIS HA H 5.247 0.02 1 328 . 34 HIS HB2 H 2.356 0.02 1 329 . 34 HIS HB3 H 3.262 0.02 1 330 . 34 HIS ND1 N 218.8 0.2 1 331 . 34 HIS HD2 H 6.351 0.02 1 332 . 34 HIS NE2 N 176.8 0.2 1 333 . 34 HIS HE1 H 6.349 0.02 1 334 . 34 HIS HE2 H 14.620 0.02 1 335 . 34 HIS C C 177.1 0.2 1 336 . 35 ASN N N 114.2 0.2 1 337 . 35 ASN H H 8.023 0.02 1 338 . 35 ASN CA C 52.4 0.2 1 339 . 35 ASN HA H 5.854 0.02 1 340 . 35 ASN HB2 H 2.854 0.02 1 341 . 35 ASN HB3 H 3.186 0.02 1 342 . 35 ASN HD21 H 9.359 0.02 1 343 . 35 ASN HD22 H 6.706 0.02 1 344 . 35 ASN C C 176.5 0.2 1 345 . 36 ILE N N 113.1 0.2 1 346 . 36 ILE H H 7.573 0.02 1 347 . 36 ILE CA C 64.1 0.2 1 348 . 36 ILE HA H 4.645 0.02 1 349 . 36 ILE HB H 2.214 0.02 1 350 . 36 ILE HG2 H 0.538 0.02 1 351 . 36 ILE CG2 C 15.9 0.2 1 352 . 36 ILE HG12 H 1.086 0.02 2 353 . 36 ILE HG13 H 1.618 0.02 2 354 . 36 ILE HD1 H 0.743 0.02 1 355 . 36 ILE CD1 C 14.7 0.2 1 356 . 36 ILE C C 172.8 0.2 1 357 . 37 SER N N 115.5 0.2 1 358 . 37 SER H H 7.141 0.02 1 359 . 37 SER CA C 58.5 0.2 1 360 . 37 SER HA H 4.812 0.02 1 361 . 37 SER HB2 H 4.153 0.02 1 362 . 37 SER HB3 H 4.262 0.02 1 363 . 37 SER C C 172.1 0.2 1 364 . 38 LEU N N 123.0 0.2 1 365 . 38 LEU H H 8.510 0.02 1 366 . 38 LEU CA C 51.7 0.2 1 367 . 38 LEU HA H 4.363 0.02 1 368 . 38 LEU HB2 H 1.097 0.02 1 369 . 38 LEU HB3 H 1.628 0.02 1 370 . 38 LEU HG H 1.307 0.02 1 371 . 38 LEU HD1 H 0.517 0.02 1 372 . 38 LEU HD2 H 0.991 0.02 1 373 . 38 LEU CD1 C 26.7 0.2 1 374 . 38 LEU CD2 C 24.5 0.2 1 375 . 40 PRO CA C 64.3 0.2 1 376 . 40 PRO HA H 4.025 0.02 1 377 . 40 PRO HB2 H 1.910 0.02 2 378 . 40 PRO HB3 H 2.032 0.02 2 379 . 40 PRO HG2 H 1.954 0.02 1 380 . 40 PRO HG3 H 1.954 0.02 1 381 . 40 PRO C C 178.3 0.2 1 382 . 41 GLY N N 111.1 0.2 1 383 . 41 GLY H H 9.003 0.02 1 384 . 41 GLY CA C 45.0 0.2 1 385 . 41 GLY HA2 H 2.908 0.02 1 386 . 41 GLY HA3 H 3.918 0.02 1 387 . 41 GLY C C 172.0 0.2 1 388 . 42 GLU N N 120.4 0.2 1 389 . 42 GLU H H 7.896 0.02 1 390 . 42 GLU CA C 54.8 0.2 1 391 . 42 GLU HA H 3.963 0.02 1 392 . 42 GLU CB C 32.5 0.2 1 393 . 42 GLU HB2 H 1.587 0.02 1 394 . 42 GLU HB3 H 1.877 0.02 1 395 . 42 GLU HG2 H 1.602 0.02 2 396 . 42 GLU HG3 H 1.841 0.02 2 397 . 42 GLU C C 174.4 0.2 1 398 . 43 PHE N N 119.5 0.2 1 399 . 43 PHE H H 8.311 0.02 1 400 . 43 PHE CA C 53.4 0.2 1 401 . 43 PHE HA H 5.298 0.02 1 402 . 43 PHE HB2 H 2.881 0.02 1 403 . 43 PHE HB3 H 3.086 0.02 1 404 . 43 PHE CD1 C 131.4 0.2 1 405 . 43 PHE HD1 H 7.169 0.02 1 406 . 43 PHE CE1 C 130.5 0.2 1 407 . 43 PHE HE1 H 6.962 0.02 1 408 . 43 PHE CZ C 128.6 0.2 1 409 . 43 PHE HZ H 6.951 0.02 1 410 . 43 PHE CE2 C 130.5 0.2 1 411 . 43 PHE HE2 H 6.962 0.02 1 412 . 43 PHE CD2 C 131.4 0.2 1 413 . 43 PHE HD2 H 7.169 0.02 1 414 . 43 PHE C C 177.3 0.2 1 415 . 44 GLY N N 107.7 0.2 1 416 . 44 GLY H H 8.779 0.02 1 417 . 44 GLY CA C 45.7 0.2 1 418 . 44 GLY HA2 H 3.770 0.02 1 419 . 44 GLY HA3 H 4.488 0.02 1 420 . 44 GLY C C 176.1 0.2 1 421 . 45 GLY N N 108.3 0.2 1 422 . 45 GLY H H 8.946 0.02 1 423 . 45 GLY CA C 45.3 0.2 1 424 . 45 GLY HA2 H 3.932 0.02 1 425 . 45 GLY HA3 H 4.227 0.02 1 426 . 45 GLY C C 174.6 0.2 1 427 . 46 PRO CA C 61.1 0.2 1 428 . 46 PRO HA H 4.755 0.02 1 429 . 46 PRO HB2 H 1.679 0.02 2 430 . 46 PRO HB3 H 1.796 0.02 2 431 . 46 PRO HG2 H -0.203 0.02 2 432 . 46 PRO HG3 H 1.311 0.02 2 433 . 46 PRO HD2 H 2.118 0.02 2 434 . 46 PRO HD3 H 3.135 0.02 2 435 . 46 PRO C C 177.0 0.2 1 436 . 47 TRP N N 121.3 0.2 1 437 . 47 TRP H H 6.769 0.02 1 438 . 47 TRP CA C 58.3 0.2 1 439 . 47 TRP HA H 4.238 0.02 1 440 . 47 TRP HB2 H 2.820 0.02 1 441 . 47 TRP HB3 H 2.977 0.02 1 442 . 47 TRP CD1 C 128.1 0.2 1 443 . 47 TRP CE3 C 120.6 0.2 1 444 . 47 TRP NE1 N 129.2 0.2 1 445 . 47 TRP HD1 H 7.588 0.02 1 446 . 47 TRP HE3 H 7.266 0.02 1 447 . 47 TRP CZ3 C 122.1 0.2 1 448 . 47 TRP CZ2 C 115.3 0.2 1 449 . 47 TRP HE1 H 10.727 0.02 1 450 . 47 TRP HZ3 H 7.209 0.02 1 451 . 47 TRP CH2 C 125.8 0.2 1 452 . 47 TRP HZ2 H 7.640 0.02 1 453 . 47 TRP HH2 H 7.343 0.02 1 454 . 47 TRP C C 176.5 0.2 1 455 . 48 ILE N N 121.6 0.2 1 456 . 48 ILE H H 7.643 0.02 1 457 . 48 ILE CA C 65.9 0.2 1 458 . 48 ILE HA H 3.110 0.02 1 459 . 48 ILE HB H 1.620 0.02 1 460 . 48 ILE HG2 H 0.306 0.02 1 461 . 48 ILE CG2 C 19.1 0.2 1 462 . 48 ILE HG12 H 0.491 0.02 2 463 . 48 ILE HG13 H 1.742 0.02 2 464 . 48 ILE HD1 H 0.853 0.02 1 465 . 48 ILE CD1 C 15.4 0.2 1 466 . 48 ILE C C 176.9 0.2 1 467 . 49 ASP N N 118.6 0.2 1 468 . 49 ASP H H 7.791 0.02 1 469 . 49 ASP CA C 57.4 0.2 1 470 . 49 ASP HA H 4.168 0.02 1 471 . 49 ASP CB C 40.3 0.2 1 472 . 49 ASP HB2 H 2.607 0.02 1 473 . 49 ASP HB3 H 2.607 0.02 1 474 . 49 ASP C C 179.1 0.2 1 475 . 50 ALA N N 120.1 0.2 1 476 . 50 ALA H H 7.208 0.02 1 477 . 50 ALA CA C 54.3 0.2 1 478 . 50 ALA HA H 3.843 0.02 1 479 . 50 ALA HB H 1.282 0.02 1 480 . 50 ALA CB C 17.8 0.2 1 481 . 50 ALA C C 179.4 0.2 1 482 . 51 LEU N N 121.0 0.2 1 483 . 51 LEU H H 8.432 0.02 1 484 . 51 LEU CA C 54.3 0.2 1 485 . 51 LEU HA H 4.005 0.02 1 486 . 51 LEU HB2 H 1.129 0.02 1 487 . 51 LEU HB3 H 1.641 0.02 1 488 . 51 LEU HG H 1.302 0.02 1 489 . 51 LEU HD1 H 0.697 0.02 1 490 . 51 LEU HD2 H 0.875 0.02 1 491 . 51 LEU CD1 C 24.8 0.2 1 492 . 51 LEU CD2 C 26.5 0.2 1 493 . 51 LEU C C 181.1 0.2 1 494 . 52 PHE N N 116.3 0.2 1 495 . 52 PHE H H 8.120 0.02 1 496 . 52 PHE CA C 56.1 0.2 1 497 . 52 PHE HA H 5.029 0.02 1 498 . 52 PHE CB C 37.8 0.2 1 499 . 52 PHE HB2 H 2.570 0.02 1 500 . 52 PHE HB3 H 2.612 0.02 1 501 . 52 PHE CD1 C 129.5 0.2 1 502 . 52 PHE HD1 H 6.061 0.02 1 503 . 52 PHE CE1 C 130.1 0.2 1 504 . 52 PHE HE1 H 6.711 0.02 1 505 . 52 PHE CZ C 129.3 0.2 1 506 . 52 PHE HZ H 6.809 0.02 1 507 . 52 PHE CE2 C 130.1 0.2 1 508 . 52 PHE HE2 H 6.711 0.02 1 509 . 52 PHE CD2 C 129.5 0.2 1 510 . 52 PHE HD2 H 6.061 0.02 1 511 . 52 PHE C C 177.4 0.2 1 512 . 53 THR N N 107.8 0.2 1 513 . 53 THR H H 7.902 0.02 1 514 . 53 THR CA C 61.8 0.2 1 515 . 53 THR HA H 4.198 0.02 1 516 . 53 THR HB H 4.523 0.02 1 517 . 53 THR HG2 H 1.240 0.02 1 518 . 53 THR HG1 H 4.926 0.02 1 519 . 53 THR CG2 C 22.2 0.2 1 520 . 53 THR C C 174.4 0.2 1 521 . 54 GLY N N 110.1 0.2 1 522 . 54 GLY H H 7.845 0.02 1 523 . 54 GLY CA C 47.1 0.2 1 524 . 54 GLY HA2 H 4.218 0.02 1 525 . 54 GLY HA3 H 4.450 0.02 1 526 . 54 GLY C C 176.0 0.2 1 527 . 55 THR N N 107.5 0.2 1 528 . 55 THR H H 8.587 0.02 1 529 . 55 THR CA C 60.3 0.2 1 530 . 55 THR HA H 4.584 0.02 1 531 . 55 THR HB H 4.499 0.02 1 532 . 55 THR HG2 H 1.065 0.02 1 533 . 55 THR CG2 C 21.2 0.2 1 534 . 55 THR C C 175.1 0.2 1 535 . 56 ILE N N 123.9 0.2 1 536 . 56 ILE H H 7.588 0.02 1 537 . 56 ILE CA C 61.9 0.2 1 538 . 56 ILE HA H 3.848 0.02 1 539 . 56 ILE CB C 38.5 0.2 1 540 . 56 ILE HB H 1.394 0.02 1 541 . 56 ILE HG2 H 0.679 0.02 1 542 . 56 ILE CG2 C 16.7 0.2 1 543 . 56 ILE HG12 H 0.765 0.02 2 544 . 56 ILE HG13 H 1.193 0.02 2 545 . 56 ILE HD1 H 0.089 0.02 1 546 . 56 ILE CD1 C 12.9 0.2 1 547 . 56 ILE C C 173.0 0.2 1 548 . 57 ASP N N 126.9 0.2 1 549 . 57 ASP H H 7.621 0.02 1 550 . 57 ASP CA C 50.3 0.2 1 551 . 57 ASP HA H 4.999 0.02 1 552 . 57 ASP HB2 H 2.829 0.02 1 553 . 57 ASP HB3 H 3.016 0.02 1 554 . 57 ASP C C 176.0 0.2 1 555 . 58 PRO CA C 64.0 0.2 1 556 . 58 PRO HA H 4.028 0.02 1 557 . 58 PRO CB C 34.1 0.2 1 558 . 58 PRO HB2 H 2.089 0.02 2 559 . 58 PRO HB3 H 2.074 0.02 2 560 . 58 PRO HG2 H 1.962 0.02 1 561 . 58 PRO HG3 H 1.962 0.02 1 562 . 58 PRO HD2 H 4.008 0.02 2 563 . 58 PRO HD3 H 4.113 0.02 2 564 . 58 PRO C C 175.7 0.2 1 565 . 59 ASN N N 111.3 0.2 1 566 . 59 ASN H H 8.098 0.02 1 567 . 59 ASN CA C 53.6 0.2 1 568 . 59 ASN HA H 4.540 0.02 1 569 . 59 ASN CB C 40.1 0.2 1 570 . 59 ASN HB2 H 2.755 0.02 1 571 . 59 ASN HB3 H 2.755 0.02 1 572 . 59 ASN ND2 N 114.8 0.2 1 573 . 59 ASN HD21 H 6.945 0.02 1 574 . 59 ASN HD22 H 7.879 0.02 1 575 . 59 ASN C C 176.7 0.2 1 576 . 60 ALA N N 121.7 0.2 1 577 . 60 ALA H H 7.612 0.02 1 578 . 60 ALA CA C 54.0 0.2 1 579 . 60 ALA HA H 4.040 0.02 1 580 . 60 ALA HB H 1.424 0.02 1 581 . 60 ALA CB C 18.1 0.2 1 582 . 60 ALA C C 176.6 0.2 1 583 . 61 HIS N N 115.8 0.2 1 584 . 61 HIS H H 6.686 0.02 1 585 . 61 HIS CA C 56.0 0.2 1 586 . 61 HIS HA H 4.199 0.02 1 587 . 61 HIS HB2 H 0.529 0.02 1 588 . 61 HIS HB3 H 2.059 0.02 1 589 . 61 HIS ND1 N 250.2 0.2 1 590 . 61 HIS HD2 H 6.862 0.02 1 591 . 61 HIS NE2 N 166.2 0.2 1 592 . 61 HIS HE1 H 7.726 0.02 1 593 . 61 HIS C C 173.9 0.2 1 594 . 62 PRO CA C 61.9 0.2 1 595 . 62 PRO HA H 4.308 0.02 1 596 . 62 PRO HB2 H 1.695 0.02 2 597 . 62 PRO HB3 H 2.235 0.02 2 598 . 62 PRO HG2 H 1.693 0.02 2 599 . 62 PRO HG3 H 1.791 0.02 2 600 . 62 PRO HD2 H 1.892 0.02 2 601 . 62 PRO HD3 H 3.199 0.02 2 602 . 62 PRO C C 178.8 0.2 1 603 . 63 TYR N N 122.3 0.2 1 604 . 63 TYR H H 11.033 0.02 1 605 . 63 TYR CA C 61.1 0.2 1 606 . 63 TYR HA H 4.216 0.02 1 607 . 63 TYR CB C 40.0 0.2 1 608 . 63 TYR HB2 H 2.696 0.02 1 609 . 63 TYR HB3 H 3.391 0.02 1 610 . 63 TYR CD1 C 133.0 0.2 1 611 . 63 TYR HD1 H 6.941 0.02 1 612 . 63 TYR CE1 C 118.5 0.2 1 613 . 63 TYR HE1 H 6.786 0.02 1 614 . 63 TYR CE2 C 118.5 0.2 1 615 . 63 TYR HE2 H 6.786 0.02 1 616 . 63 TYR CD2 C 133.0 0.2 1 617 . 63 TYR HD2 H 6.941 0.02 1 618 . 63 TYR C C 178.0 0.2 1 619 . 64 PHE N N 114.4 0.2 1 620 . 64 PHE H H 7.884 0.02 1 621 . 64 PHE CA C 55.4 0.2 1 622 . 64 PHE HA H 4.485 0.02 1 623 . 64 PHE CB C 37.1 0.2 1 624 . 64 PHE HB2 H 3.060 0.02 1 625 . 64 PHE HB3 H 3.488 0.02 1 626 . 64 PHE CD1 C 129.9 0.2 1 627 . 64 PHE HD1 H 7.101 0.02 1 628 . 64 PHE CE1 C 130.5 0.2 1 629 . 64 PHE HE1 H 6.019 0.02 1 630 . 64 PHE CZ C 128.52 0.2 1 631 . 64 PHE HZ H 5.673 0.02 1 632 . 64 PHE CE2 C 130.5 0.2 1 633 . 64 PHE HE2 H 6.019 0.02 1 634 . 64 PHE CD2 C 129.9 0.2 1 635 . 64 PHE HD2 H 7.101 0.02 1 636 . 64 PHE C C 177.8 0.2 1 637 . 65 ALA N N 121.7 0.2 1 638 . 65 ALA H H 7.405 0.02 1 639 . 65 ALA CA C 55.4 0.2 1 640 . 65 ALA HA H 4.004 0.02 1 641 . 65 ALA HB H 1.484 0.02 1 642 . 65 ALA CB C 17.9 0.2 1 643 . 65 ALA C C 180.1 0.2 1 644 . 66 GLY N N 101.8 0.2 1 645 . 66 GLY H H 7.705 0.02 1 646 . 66 GLY CA C 45.7 0.2 1 647 . 66 GLY HA2 H 3.913 0.02 1 648 . 66 GLY HA3 H 4.082 0.02 1 649 . 66 GLY C C 175.4 0.2 1 650 . 67 ILE N N 108.8 0.2 1 651 . 67 ILE H H 6.948 0.02 1 652 . 67 ILE CA C 60.6 0.2 1 653 . 67 ILE HA H 4.547 0.02 1 654 . 67 ILE HB H 2.157 0.02 1 655 . 67 ILE HG2 H 0.733 0.02 1 656 . 67 ILE CG2 C 17.4 0.2 1 657 . 67 ILE HG12 H 1.191 0.02 2 658 . 67 ILE HG13 H 1.239 0.02 2 659 . 67 ILE HD1 H 0.824 0.02 1 660 . 67 ILE CD1 C 15.2 0.2 1 661 . 67 ILE C C 176.6 0.2 1 662 . 68 ALA N N 123.2 0.2 1 663 . 68 ALA H H 7.218 0.02 1 664 . 68 ALA CA C 55.0 0.2 1 665 . 68 ALA HA H 3.804 0.02 1 666 . 68 ALA HB H 1.280 0.02 1 667 . 68 ALA CB C 18.5 0.2 1 668 . 68 ALA C C 176.8 0.2 1 669 . 69 HIS N N 111.5 0.2 1 670 . 69 HIS H H 8.242 0.02 1 671 . 69 HIS CA C 54.8 0.2 1 672 . 69 HIS HA H 4.722 0.02 1 673 . 69 HIS HB2 H 3.101 0.02 1 674 . 69 HIS HB3 H 3.279 0.02 1 675 . 69 HIS ND1 N 198.7 0.2 1 676 . 69 HIS NE2 N 172.8 0.2 1 677 . 69 HIS HD2 H 7.225 0.02 1 678 . 69 HIS HE1 H 8.452 0.02 1 679 . 69 HIS C C 175.0 0.2 1 680 . 70 LEU N N 120.4 0.2 1 681 . 70 LEU H H 7.228 0.02 1 682 . 70 LEU CA C 55.1 0.2 1 683 . 70 LEU HA H 4.101 0.02 1 684 . 70 LEU HB2 H 1.427 0.02 1 685 . 70 LEU HB3 H 1.795 0.02 1 686 . 70 LEU HG H 1.396 0.02 1 687 . 70 LEU HD1 H 0.936 0.02 1 688 . 70 LEU HD2 H 0.785 0.02 1 689 . 70 LEU CD1 C 22.8 0.2 1 690 . 70 LEU CD2 C 22.2 0.2 1 691 . 70 LEU C C 177.3 0.2 1 692 . 71 ARG N N 125.0 0.2 1 693 . 71 ARG H H 8.716 0.02 1 694 . 71 ARG CA C 55.1 0.2 1 695 . 71 ARG HA H 4.021 0.02 1 696 . 71 ARG HB2 H 1.617 0.02 1 697 . 71 ARG HB3 H 1.665 0.02 1 698 . 71 ARG HG2 H 1.352 0.02 2 699 . 71 ARG HG3 H 1.467 0.02 2 700 . 71 ARG C C 173.7 0.2 1 701 . 72 VAL N N 115.3 0.2 1 702 . 72 VAL H H 8.563 0.02 1 703 . 72 VAL CA C 61.8 0.2 1 704 . 72 VAL HA H 5.227 0.02 1 705 . 72 VAL HB H 2.406 0.02 1 706 . 72 VAL HG1 H 0.977 0.02 1 707 . 72 VAL HG2 H 0.945 0.02 1 708 . 72 VAL CG1 C 22.3 0.2 1 709 . 72 VAL CG2 C 18.3 0.2 1 710 . 72 VAL C C 174.9 0.2 1 711 . 73 SER N N 109.0 0.2 1 712 . 73 SER H H 7.651 0.02 1 713 . 73 SER CA C 57.6 0.2 1 714 . 73 SER HA H 3.024 0.02 1 715 . 73 SER HB2 H 3.076 0.02 1 716 . 73 SER HB3 H 3.076 0.02 1 717 . 73 SER HG H 5.830 0.02 1 718 . 73 SER C C 177.7 0.2 1 719 . 74 ALA N N 112.5 0.2 1 720 . 74 ALA H H 5.464 0.02 1 721 . 74 ALA CA C 49.5 0.2 1 722 . 74 ALA HA H 3.697 0.02 1 723 . 74 ALA HB H 0.845 0.02 1 724 . 74 ALA CB C 17.4 0.2 1 725 . 74 ALA C C 174.2 0.2 1 726 . 75 HIS N N 114.4 0.2 1 727 . 75 HIS H H 7.928 0.02 1 728 . 75 HIS CA C 64.1 0.2 1 729 . 75 HIS HA H 4.217 0.02 1 730 . 75 HIS CB C 32.6 0.2 1 731 . 75 HIS HB2 H 3.076 0.02 1 732 . 75 HIS HB3 H 3.142 0.02 1 733 . 75 HIS ND1 N 256.6 0.2 1 734 . 75 HIS HD2 H 6.767 0.02 1 735 . 75 HIS NE2 N 166.8 0.2 1 736 . 75 HIS HE1 H 8.648 0.02 1 737 . 75 HIS HE2 H 11.738 0.02 1 738 . 75 HIS C C 177.3 0.2 1 739 . 76 CYS N N 108.0 0.02 1 740 . 76 CYS H H 7.454 0.02 1 741 . 76 CYS CA C 56.3 0.2 1 742 . 76 CYS HA H 5.791 0.02 1 743 . 76 CYS CB C 34.1 0.2 1 744 . 76 CYS HB2 H 2.708 0.02 2 745 . 76 CYS HB3 H 2.912 0.02 2 746 . 76 CYS C C 171.0 0.2 1 747 . 76 CYS HG H 1.160 0.02 1 748 . 77 LEU N N 125.7 0.2 1 749 . 77 LEU H H 9.807 0.02 1 750 . 77 LEU CA C 53.6 0.2 1 751 . 77 LEU HA H 5.512 0.02 1 752 . 77 LEU HB2 H 1.631 0.02 1 753 . 77 LEU HB3 H 2.125 0.02 1 754 . 77 LEU HG H 1.413 0.02 1 755 . 77 LEU HD1 H 0.799 0.02 1 756 . 77 LEU HD2 H 0.909 0.02 1 757 . 77 LEU CD1 C 25.1 0.2 1 758 . 77 LEU CD2 C 22.1 0.2 1 759 . 77 LEU C C 174.2 0.2 1 760 . 78 ILE N N 123.3 0.2 1 761 . 78 ILE H H 8.934 0.02 1 762 . 78 ILE CA C 60.1 0.2 1 763 . 78 ILE HA H 5.041 0.02 1 764 . 78 ILE HB H 1.836 0.02 1 765 . 78 ILE HG2 H 0.958 0.02 1 766 . 78 ILE CG2 C 17.4 0.2 1 767 . 78 ILE HG12 H 0.980 0.02 2 768 . 78 ILE HG13 H 1.428 0.02 2 769 . 78 ILE HD1 H 0.633 0.02 1 770 . 78 ILE CD1 C 12.9 0.2 1 771 . 78 ILE C C 175.6 0.2 1 772 . 79 ARG N N 120.9 0.2 1 773 . 79 ARG H H 9.425 0.02 1 774 . 79 ARG CA C 52.8 0.2 1 775 . 79 ARG HA H 4.613 0.02 1 776 . 79 ARG HB2 H 1.820 0.02 1 777 . 79 ARG HB3 H 1.950 0.02 1 778 . 79 ARG HG2 H 1.493 0.02 2 779 . 79 ARG HG3 H 1.606 0.02 2 780 . 79 ARG C C 177.3 0.2 1 781 . 80 ARG N N 115.2 0.2 1 782 . 80 ARG H H 7.859 0.02 1 783 . 80 ARG CA C 57.8 0.2 1 784 . 80 ARG HA H 3.697 0.02 1 785 . 80 ARG CB C 29.5 0.2 1 786 . 80 ARG HB2 H 1.340 0.02 1 787 . 80 ARG HB3 H 1.942 0.02 1 788 . 80 ARG HG2 H 1.471 0.02 2 789 . 80 ARG HG3 H 1.853 0.02 2 790 . 80 ARG HD2 H 3.705 0.02 1 791 . 80 ARG HD3 H 3.705 0.02 1 792 . 80 ARG C C 176.9 0.2 1 793 . 81 ASP N N 114.7 0.2 1 794 . 81 ASP H H 8.036 0.02 1 795 . 81 ASP CA C 53.1 0.2 1 796 . 81 ASP HA H 4.437 0.02 1 797 . 81 ASP CB C 40.5 0.2 1 798 . 81 ASP HB2 H 2.604 0.02 1 799 . 81 ASP HB3 H 3.004 0.02 1 800 . 81 ASP C C 176.6 0.2 1 801 . 82 GLY N N 107.4 0.2 1 802 . 82 GLY H H 7.979 0.02 1 803 . 82 GLY CA C 44.5 0.2 1 804 . 82 GLY HA2 H 2.972 0.02 1 805 . 82 GLY HA3 H 4.274 0.02 1 806 . 82 GLY C C 172.4 0.2 1 807 . 83 GLU N N 121.6 0.2 1 808 . 83 GLU H H 7.742 0.02 1 809 . 83 GLU CA C 58.0 0.2 1 810 . 83 GLU HA H 3.896 0.02 1 811 . 83 GLU HB2 H 1.824 0.02 2 812 . 83 GLU HB3 H 2.256 0.02 2 813 . 83 GLU HG2 H 2.050 0.02 2 814 . 83 GLU HG3 H 2.333 0.02 2 815 . 83 GLU C C 175.6 0.2 1 816 . 84 ILE N N 126.6 0.2 1 817 . 84 ILE H H 8.387 0.02 1 818 . 84 ILE CA C 60.3 0.2 1 819 . 84 ILE HA H 4.904 0.02 1 820 . 84 ILE HB H 1.583 0.02 1 821 . 84 ILE HG2 H 0.764 0.02 1 822 . 84 ILE CG2 C 18.4 0.2 1 823 . 84 ILE HG12 H 0.689 0.02 2 824 . 84 ILE HG13 H 2.009 0.02 2 825 . 84 ILE HD1 H 0.795 0.02 1 826 . 84 ILE CD1 C 15.2 0.2 1 827 . 84 ILE C C 174.8 0.2 1 828 . 85 VAL N N 130.1 0.2 1 829 . 85 VAL H H 9.288 0.02 1 830 . 85 VAL CA C 60.4 0.2 1 831 . 85 VAL HA H 4.695 0.02 1 832 . 85 VAL HB H 1.832 0.02 1 833 . 85 VAL HG1 H 0.442 0.02 1 834 . 85 VAL HG2 H 0.765 0.02 1 835 . 85 VAL CG1 C 21.6 0.2 1 836 . 85 VAL CG2 C 20.3 0.2 1 837 . 85 VAL C C 174.9 0.2 1 838 . 86 GLN N N 126.9 0.2 1 839 . 86 GLN H H 9.171 0.02 1 840 . 86 GLN CA C 54.4 0.2 1 841 . 86 GLN HA H 4.985 0.02 1 842 . 86 GLN HB2 H 1.335 0.02 1 843 . 86 GLN HB3 H 1.574 0.02 1 844 . 86 GLN HG2 H 1.909 0.02 2 845 . 86 GLN HG3 H 1.952 0.02 2 846 . 86 GLN NE2 N 109.1 0.2 1 847 . 86 GLN HE22 H 6.830 0.02 1 848 . 86 GLN HE21 H 7.722 0.02 1 849 . 86 GLN C C 173.2 0.2 1 850 . 87 TYR N N 123.2 0.2 1 851 . 87 TYR H H 7.882 0.02 1 852 . 87 TYR CA C 57.0 0.2 1 853 . 87 TYR HA H 5.398 0.02 1 854 . 87 TYR HB2 H 2.984 0.02 1 855 . 87 TYR HB3 H 3.126 0.02 1 856 . 87 TYR CD1 C 133.1 0.2 1 857 . 87 TYR HD1 H 6.458 0.02 1 858 . 87 TYR CE1 C 118.5 0.2 1 859 . 87 TYR HE1 H 6.462 0.02 1 860 . 87 TYR CE2 C 118.5 0.2 1 861 . 87 TYR HE2 H 6.605 0.02 1 862 . 87 TYR CD2 C 133.1 0.2 1 863 . 87 TYR HD2 H 7.633 0.02 1 864 . 87 TYR HH H 8.975 0.02 1 865 . 87 TYR C C 176.4 0.2 1 866 . 88 VAL N N 117.7 0.2 1 867 . 88 VAL H H 7.011 0.02 1 868 . 88 VAL CA C 57.8 0.2 1 869 . 88 VAL HA H 4.045 0.02 1 870 . 88 VAL HB H 1.194 0.02 1 871 . 88 VAL HG1 H 0.433 0.02 1 872 . 88 VAL HG2 H 0.500 0.02 1 873 . 88 VAL CG1 C 19.9 0.2 1 874 . 88 VAL CG2 C 20.7 0.2 1 875 . 88 VAL C C 172.8 0.2 1 876 . 89 PRO CA C 61.5 0.2 1 877 . 89 PRO HA H 3.920 0.02 1 878 . 89 PRO CB C 31.9 0.2 1 879 . 89 PRO HB2 H 2.265 0.02 2 880 . 89 PRO HB3 H 2.308 0.02 2 881 . 89 PRO HG2 H 1.457 0.02 2 882 . 89 PRO HG3 H 2.018 0.02 2 883 . 89 PRO HD2 H 2.664 0.02 2 884 . 89 PRO HD3 H 2.860 0.02 2 885 . 89 PRO C C 173.7 0.2 1 886 . 90 PHE N N 113.3 0.2 1 887 . 90 PHE H H 8.670 0.02 1 888 . 90 PHE CA C 61.1 0.2 1 889 . 90 PHE HA H 3.954 0.02 1 890 . 90 PHE CB C 39.6 0.2 1 891 . 90 PHE HB2 H 2.889 0.02 1 892 . 90 PHE HB3 H 2.950 0.02 1 893 . 90 PHE CD1 C 129.3 0.2 1 894 . 90 PHE HD1 H 6.852 0.02 1 895 . 90 PHE CE1 C 131.0 0.2 1 896 . 90 PHE HE1 H 6.995 0.02 1 897 . 90 PHE CZ C 130.1 0.2 1 898 . 90 PHE HZ H 6.918 0.02 1 899 . 90 PHE CE2 C 131.0 0.2 1 900 . 90 PHE HE2 H 6.995 0.02 1 901 . 90 PHE CD2 C 129.3 0.2 1 902 . 90 PHE HD2 H 6.852 0.02 1 903 . 90 PHE C C 175.5 0.2 1 904 . 91 ASP N N 112.4 0.2 1 905 . 91 ASP H H 8.775 0.02 1 906 . 91 ASP CA C 54.3 0.2 1 907 . 91 ASP HA H 4.321 0.02 1 908 . 91 ASP CB C 40.7 0.2 1 909 . 91 ASP HB2 H 2.631 0.02 1 910 . 91 ASP HB3 H 2.794 0.02 1 911 . 91 ASP C C 176.6 0.2 1 912 . 92 LYS N N 119.9 0.2 1 913 . 92 LYS H H 7.674 0.02 1 914 . 92 LYS CA C 53.5 0.2 1 915 . 92 LYS HA H 4.711 0.02 1 916 . 92 LYS CB C 34.7 0.2 1 917 . 92 LYS HB2 H 1.532 0.02 1 918 . 92 LYS HB3 H 1.835 0.02 1 919 . 92 LYS HG2 H 0.626 0.02 2 920 . 92 LYS HG3 H 1.031 0.02 2 921 . 92 LYS HD2 H 1.100 0.02 2 922 . 92 LYS HD3 H 1.443 0.02 2 923 . 92 LYS HE2 H 2.978 0.02 1 924 . 92 LYS HE3 H 2.978 0.02 1 925 . 92 LYS C C 174.0 0.2 1 926 . 93 ARG N N 122.5 0.2 1 927 . 93 ARG H H 9.024 0.02 1 928 . 93 ARG CA C 57.3 0.2 1 929 . 93 ARG HA H 4.234 0.02 1 930 . 93 ARG HB2 H 1.900 0.02 1 931 . 93 ARG HB3 H 1.950 0.02 1 932 . 93 ARG C C 174.4 0.2 1 933 . 94 ALA N N 125.7 0.2 1 934 . 94 ALA H H 6.989 0.02 1 935 . 94 ALA CA C 50.3 0.2 1 936 . 94 ALA HA H 3.952 0.02 1 937 . 94 ALA HB H 0.147 0.02 1 938 . 94 ALA CB C 16.7 0.2 1 939 . 94 ALA C C 177.8 0.2 1 940 . 95 TRP N N 125.9 0.2 1 941 . 95 TRP H H 7.492 0.02 1 942 . 95 TRP CA C 53.4 0.2 1 943 . 95 TRP HA H 5.228 0.02 1 944 . 95 TRP HB2 H 3.029 0.02 2 945 . 95 TRP HB3 H 3.066 0.02 2 946 . 95 TRP CD1 C 123.6 0.2 1 947 . 95 TRP CE3 C 121.1 0.2 1 948 . 95 TRP NE1 N 127.5 0.2 1 949 . 95 TRP HD1 H 6.426 0.02 1 950 . 95 TRP HE3 H 7.207 0.02 1 951 . 95 TRP CZ3 C 120.3 0.2 1 952 . 95 TRP CZ2 C 113.9 0.2 1 953 . 95 TRP HE1 H 9.525 0.02 1 954 . 95 TRP HZ3 H 6.562 0.02 1 955 . 95 TRP CH2 C 124.5 0.2 1 956 . 95 TRP HZ2 H 6.815 0.02 1 957 . 95 TRP HH2 H 7.101 0.02 1 958 . 95 TRP C C 174.7 0.2 1 959 . 96 HIS N N 114.2 0.2 1 960 . 96 HIS H H 6.861 0.02 1 961 . 96 HIS CA C 55.4 0.2 1 962 . 96 HIS HA H 4.893 0.02 1 963 . 96 HIS HB2 H 2.394 0.02 1 964 . 96 HIS HB3 H 3.367 0.02 1 965 . 96 HIS ND1 N 249.5 0.2 1 966 . 96 HIS CD2 C 117.4 0.2 1 967 . 96 HIS HD2 H 6.749 0.02 1 968 . 96 HIS CE1 C 139.8 0.2 1 969 . 96 HIS NE2 N 166.7 0.2 1 970 . 96 HIS HE1 H 7.292 0.02 1 971 . 96 HIS HE2 H 12.530 0.02 1 972 . 96 HIS C C 175.8 0.2 1 973 . 97 ALA N N 124.6 0.2 1 974 . 97 ALA H H 8.928 0.02 1 975 . 97 ALA CA C 52.7 0.2 1 976 . 97 ALA HA H 3.765 0.02 1 977 . 97 ALA HB H 0.698 0.02 1 978 . 97 ALA CB C 19.1 0.2 1 979 . 97 ALA C C 179.5 0.2 1 980 . 98 GLY N N 106.9 0.2 1 981 . 98 GLY H H 7.716 0.02 1 982 . 98 GLY CA C 45.3 0.2 1 983 . 98 GLY HA2 H 3.712 0.02 1 984 . 98 GLY HA3 H 3.934 0.02 1 985 . 98 GLY C C 173.9 0.2 1 986 . 99 VAL N N 127.1 0.2 1 987 . 99 VAL H H 8.447 0.02 1 988 . 99 VAL CA C 64.4 0.2 1 989 . 99 VAL HA H 4.165 0.02 1 990 . 99 VAL CB C 32.1 0.2 1 991 . 99 VAL HB H 1.845 0.02 1 992 . 99 VAL HG1 H 0.980 0.02 1 993 . 99 VAL HG2 H 0.994 0.02 1 994 . 99 VAL CG1 C 21.0 0.2 1 995 . 99 VAL CG2 C 21.6 0.2 1 996 . 99 VAL C C 177.3 0.2 1 997 . 100 SER N N 121.9 0.2 1 998 . 100 SER H H 9.039 0.02 1 999 . 100 SER CA C 57.4 0.2 1 1000 . 100 SER HA H 5.088 0.02 1 1001 . 100 SER CB C 64.9 0.2 1 1002 . 100 SER HB2 H 3.954 0.02 1 1003 . 100 SER HB3 H 3.504 0.02 1 1004 . 100 SER C C 173.1 0.2 1 1005 . 101 SER N N 111.2 0.2 1 1006 . 101 SER H H 8.840 0.02 1 1007 . 101 SER CA C 57.7 0.2 1 1008 . 101 SER HA H 5.251 0.02 1 1009 . 101 SER CB C 65.0 0.2 1 1010 . 101 SER HB2 H 3.538 0.02 1 1011 . 101 SER HB3 H 3.744 0.02 1 1012 . 101 SER C C 173.1 0.2 1 1013 . 102 TYR N N 123.5 0.2 1 1014 . 102 TYR H H 9.032 0.02 1 1015 . 102 TYR CA C 57.5 0.2 1 1016 . 102 TYR HA H 4.851 0.02 1 1017 . 102 TYR HB2 H 2.890 0.02 1 1018 . 102 TYR HB3 H 3.014 0.02 1 1019 . 102 TYR CD1 C 133.4 0.2 1 1020 . 102 TYR HD1 H 7.118 0.02 1 1021 . 102 TYR CE1 C 118.3 0.2 1 1022 . 102 TYR HE1 H 6.739 0.02 1 1023 . 102 TYR CE2 C 118.3 0.2 1 1024 . 102 TYR HE2 H 6.739 0.02 1 1025 . 102 TYR CD2 C 133.4 0.2 1 1026 . 102 TYR HD2 H 7.118 0.02 1 1027 . 102 TYR C C 174.7 0.2 1 1028 . 103 GLN N N 126.4 0.2 1 1029 . 103 GLN H H 9.108 0.02 1 1030 . 103 GLN CA C 56.4 0.2 1 1031 . 103 GLN HA H 3.575 0.02 1 1032 . 103 GLN CB C 27.2 0.2 1 1033 . 103 GLN HB2 H 1.124 0.02 2 1034 . 103 GLN HB3 H 1.553 0.02 2 1035 . 103 GLN HG2 H 1.573 0.02 2 1036 . 103 GLN HG3 H 1.894 0.02 2 1037 . 103 GLN NE2 N 109.8 0.2 1 1038 . 103 GLN HE21 H 6.920 0.02 2 1039 . 103 GLN HE22 H 6.720 0.02 2 1040 . 103 GLN C C 175.7 0.2 1 1041 . 104 GLY N N 103.7 0.2 1 1042 . 104 GLY H H 8.459 0.02 1 1043 . 104 GLY CA C 45.1 0.2 1 1044 . 104 GLY HA2 H 3.473 0.02 1 1045 . 104 GLY HA3 H 4.133 0.02 1 1046 . 104 GLY C C 173.3 0.2 1 1047 . 105 ARG N N 123.1 0.2 1 1048 . 105 ARG H H 7.891 0.02 1 1049 . 105 ARG CA C 55.8 0.2 1 1050 . 105 ARG HA H 4.557 0.02 1 1051 . 105 ARG CB C 33.0 0.2 1 1052 . 105 ARG HB2 H 1.586 0.02 1 1053 . 105 ARG HB3 H 1.918 0.02 1 1054 . 105 ARG HG2 H 1.368 0.02 2 1055 . 105 ARG HG3 H 1.592 0.02 2 1056 . 105 ARG HD2 H 3.412 0.02 1 1057 . 105 ARG HD3 H 3.412 0.02 1 1058 . 105 ARG C C 175.1 0.2 1 1059 . 106 GLU N N 124.6 0.2 1 1060 . 106 GLU H H 8.329 0.02 1 1061 . 106 GLU CA C 55.7 0.2 1 1062 . 106 GLU HA H 5.123 0.02 1 1063 . 106 GLU CB C 32.9 0.2 1 1064 . 106 GLU HB2 H 2.019 0.02 2 1065 . 106 GLU HB3 H 2.335 0.02 2 1066 . 106 GLU HG2 H 2.003 0.02 2 1067 . 106 GLU HG3 H 2.357 0.02 2 1068 . 106 GLU C C 175.0 0.2 1 1069 . 107 ARG N N 114.5 0.2 1 1070 . 107 ARG H H 8.540 0.02 1 1071 . 107 ARG CA C 56.9 0.2 1 1072 . 107 ARG HA H 3.942 0.02 1 1073 . 107 ARG HB2 H 2.096 0.02 1 1074 . 107 ARG HB3 H 2.339 0.02 1 1075 . 107 ARG HG2 H 1.584 0.02 2 1076 . 107 ARG HG3 H 1.845 0.02 2 1077 . 107 ARG HD2 H 3.220 0.02 2 1078 . 107 ARG HD3 H 3.301 0.02 2 1079 . 107 ARG HE H 7.447 0.02 1 1080 . 107 ARG C C 177.1 0.2 1 1081 . 108 CYS N N 112.6 0.2 1 1082 . 108 CYS H H 6.928 0.02 1 1083 . 108 CYS CA C 61.3 0.2 1 1084 . 108 CYS HA H 3.380 0.02 1 1085 . 108 CYS HB2 H 1.993 0.02 1 1086 . 108 CYS HB3 H 2.339 0.02 1 1087 . 108 CYS C C 178.3 0.2 1 1088 . 109 ASN N N 123.0 0.2 1 1089 . 109 ASN H H 9.590 0.02 1 1090 . 109 ASN CA C 56.1 0.2 1 1091 . 109 ASN HA H 4.127 0.02 1 1092 . 109 ASN HB2 H 2.628 0.02 1 1093 . 109 ASN HB3 H 2.701 0.02 1 1094 . 109 ASN ND2 N 106.2 0.2 1 1095 . 109 ASN HD22 H 4.854 0.02 1 1096 . 109 ASN HD21 H 6.147 0.02 1 1097 . 109 ASN C C 177.9 0.2 1 1098 . 110 ASP N N 117.8 0.2 1 1099 . 110 ASP H H 8.196 0.02 1 1100 . 110 ASP CA C 58.8 0.2 1 1101 . 110 ASP HA H 4.025 0.02 1 1102 . 110 ASP CB C 41.0 0.2 1 1103 . 110 ASP HB2 H 2.913 0.02 1 1104 . 110 ASP HB3 H 3.174 0.02 1 1105 . 110 ASP C C 176.5 0.2 1 1106 . 111 PHE N N 107.9 0.2 1 1107 . 111 PHE H H 6.429 0.02 1 1108 . 111 PHE CA C 54.5 0.2 1 1109 . 111 PHE HA H 4.948 0.02 1 1110 . 111 PHE CB C 39.5 0.2 1 1111 . 111 PHE HB2 H 2.690 0.02 1 1112 . 111 PHE HB3 H 3.721 0.02 1 1113 . 111 PHE CD1 C 132.1 0.2 1 1114 . 111 PHE HD1 H 7.077 0.02 1 1115 . 111 PHE CE1 C 130.3 0.2 1 1116 . 111 PHE HE1 H 7.256 0.02 1 1117 . 111 PHE CZ C 131.1 0.2 1 1118 . 111 PHE HZ H 7.435 0.02 1 1119 . 111 PHE CE2 C 130.3 0.2 1 1120 . 111 PHE HE2 H 7.256 0.02 1 1121 . 111 PHE CD2 C 132.1 0.2 1 1122 . 111 PHE HD2 H 7.077 0.02 1 1123 . 111 PHE C C 173.4 0.2 1 1124 . 112 SER N N 113.7 0.2 1 1125 . 112 SER H H 7.286 0.02 1 1126 . 112 SER CA C 56.3 0.2 1 1127 . 112 SER HA H 6.000 0.02 1 1128 . 112 SER HB2 H 3.171 0.02 1 1129 . 112 SER HB3 H 3.615 0.02 1 1130 . 112 SER C C 175.1 0.2 1 1131 . 113 ILE N N 121.6 0.2 1 1132 . 113 ILE H H 8.942 0.02 1 1133 . 113 ILE CA C 59.5 0.2 1 1134 . 113 ILE HA H 4.312 0.02 1 1135 . 113 ILE HB H 1.258 0.02 1 1136 . 113 ILE HG2 H 0.604 0.02 1 1137 . 113 ILE CG2 C 17.2 0.2 1 1138 . 113 ILE HG12 H 0.244 0.02 2 1139 . 113 ILE HG13 H 1.162 0.02 2 1140 . 113 ILE HD1 H 0.342 0.02 1 1141 . 113 ILE CD1 C 14.4 0.2 1 1142 . 113 ILE C C 173.7 0.2 1 1143 . 114 GLY N N 118.5 0.2 1 1144 . 114 GLY H H 10.746 0.02 1 1145 . 114 GLY CA C 43.9 0.2 1 1146 . 114 GLY HA2 H 1.775 0.02 1 1147 . 114 GLY HA3 H 4.824 0.02 1 1148 . 114 GLY C C 172.4 0.2 1 1149 . 115 ILE N N 125.7 0.2 1 1150 . 115 ILE H H 8.753 0.02 1 1151 . 115 ILE CA C 59.8 0.2 1 1152 . 115 ILE HA H 4.642 0.02 1 1153 . 115 ILE CB C 40.3 0.2 1 1154 . 115 ILE HB H 1.521 0.02 1 1155 . 115 ILE HG2 H 0.627 0.02 1 1156 . 115 ILE CG2 C 16.7 0.2 1 1157 . 115 ILE HG12 H 1.027 0.02 2 1158 . 115 ILE HG13 H 1.340 0.02 2 1159 . 115 ILE HD1 H 0.629 0.02 1 1160 . 115 ILE CD1 C 12.9 0.2 1 1161 . 115 ILE C C 174.0 0.2 1 1162 . 116 GLU N N 124.1 0.2 1 1163 . 116 GLU H H 9.022 0.02 1 1164 . 116 GLU CA C 54.2 0.2 1 1165 . 116 GLU HA H 4.216 0.02 1 1166 . 116 GLU HB2 H 1.901 0.02 1 1167 . 116 GLU HB3 H 1.920 0.02 1 1168 . 116 GLU HG2 H 2.347 0.02 1 1169 . 116 GLU HG3 H 2.347 0.02 1 1170 . 116 GLU C C 173.7 0.2 1 1171 . 117 LEU N N 123.5 0.2 1 1172 . 117 LEU H H 8.382 0.02 1 1173 . 117 LEU CA C 53.2 0.2 1 1174 . 117 LEU HA H 4.745 0.02 1 1175 . 117 LEU HB2 H 1.191 0.02 1 1176 . 117 LEU HB3 H 1.778 0.02 1 1177 . 117 LEU HG H 1.357 0.02 1 1178 . 117 LEU HD1 H -0.064 0.02 1 1179 . 117 LEU HD2 H 0.449 0.02 1 1180 . 117 LEU CD1 C 25.7 0.2 1 1181 . 117 LEU CD2 C 24.3 0.2 1 1182 . 117 LEU C C 173.1 0.2 1 1183 . 118 GLU N N 123.8 0.2 1 1184 . 118 GLU H H 7.727 0.02 1 1185 . 118 GLU CA C 55.8 0.2 1 1186 . 118 GLU HA H 5.077 0.02 1 1187 . 118 GLU HB2 H 1.591 0.02 2 1188 . 118 GLU HB3 H 2.031 0.005 2 1189 . 118 GLU HG2 H 2.206 0.02 1 1190 . 118 GLU HG3 H 2.206 0.02 1 1191 . 118 GLU C C 177.4 0.2 1 1192 . 119 GLY N N 115.8 0.2 1 1193 . 119 GLY H H 8.681 0.02 1 1194 . 119 GLY CA C 46.7 0.2 1 1195 . 119 GLY HA2 H 3.800 0.02 1 1196 . 119 GLY HA3 H 4.259 0.02 1 1197 . 119 GLY C C 170.5 0.2 1 1198 . 120 THR N N 108.6 0.2 1 1199 . 120 THR H H 8.269 0.02 1 1200 . 120 THR CA C 59.2 0.2 1 1201 . 120 THR HA H 4.692 0.02 1 1202 . 120 THR HB H 4.533 0.02 1 1203 . 120 THR HG2 H 1.157 0.02 1 1204 . 120 THR CG2 C 22.0 0.2 1 1205 . 120 THR C C 173.1 0.2 1 1206 . 121 ASP N N 114.7 0.2 1 1207 . 121 ASP H H 8.363 0.02 1 1208 . 121 ASP CA C 55.7 0.2 1 1209 . 121 ASP HA H 4.530 0.02 1 1210 . 121 ASP CB C 42.3 0.2 1 1211 . 121 ASP HB3 H 2.754 0.02 1 1212 . 121 ASP HB2 H 2.888 0.02 1 1213 . 121 ASP C C 176.4 0.2 1 1214 . 122 THR N N 101.0 0.2 1 1215 . 122 THR H H 7.360 0.02 1 1216 . 122 THR CA C 60.7 0.2 1 1217 . 122 THR HA H 4.520 0.02 1 1218 . 122 THR CB C 68.4 0.2 1 1219 . 122 THR HB H 4.374 0.02 1 1220 . 122 THR HG2 H 1.115 0.02 1 1221 . 122 THR CG2 C 21.8 0.2 1 1222 . 122 THR C C 174.1 0.2 1 1223 . 123 LEU N N 125.7 0.2 1 1224 . 123 LEU H H 6.944 0.02 1 1225 . 123 LEU CA C 53.3 0.2 1 1226 . 123 LEU HA H 4.539 0.02 1 1227 . 123 LEU CB C 45.0 0.2 1 1228 . 123 LEU HB2 H 1.370 0.02 1 1229 . 123 LEU HB3 H 1.471 0.02 1 1230 . 123 LEU HG H 1.635 0.02 1 1231 . 123 LEU CD1 C 23.9 0.2 2 1232 . 123 LEU CD2 C 25.5 0.2 2 1233 . 123 LEU HD1 H 0.937 0.02 1 1234 . 123 LEU HD2 H 0.937 0.02 1 1235 . 123 LEU C C 176.5 0.2 1 1236 . 124 ALA N N 127.6 0.2 1 1237 . 124 ALA H H 8.524 0.02 1 1238 . 124 ALA CA C 53.4 0.2 1 1239 . 124 ALA HA H 4.142 0.02 1 1240 . 124 ALA HB H 1.466 0.02 1 1241 . 124 ALA CB C 18.4 0.2 1 1242 . 124 ALA C C 176.2 0.2 1 1243 . 125 TYR N N 122.3 0.2 1 1244 . 125 TYR H H 8.445 0.02 1 1245 . 125 TYR CA C 58.0 0.2 1 1246 . 125 TYR HA H 4.478 0.02 1 1247 . 125 TYR CB C 38.5 0.2 1 1248 . 125 TYR HB2 H 2.529 0.02 1 1249 . 125 TYR HB3 H 2.858 0.02 1 1250 . 125 TYR CD1 C 133.8 0.2 1 1251 . 125 TYR HD1 H 7.127 0.02 1 1252 . 125 TYR CE1 C 118.2 0.2 1 1253 . 125 TYR HE1 H 6.699 0.02 1 1254 . 125 TYR CE2 C 118.2 0.2 1 1255 . 125 TYR HE2 H 6.699 0.02 1 1256 . 125 TYR CD2 C 133.8 0.2 1 1257 . 125 TYR HD2 H 7.127 0.02 1 1258 . 125 TYR C C 176.0 0.2 1 1259 . 126 THR N N 112.2 0.2 1 1260 . 126 THR H H 9.122 0.02 1 1261 . 126 THR CA C 61.2 0.2 1 1262 . 126 THR HA H 4.465 0.02 1 1263 . 126 THR CB C 70.5 0.2 1 1264 . 126 THR HB H 4.819 0.02 1 1265 . 126 THR HG2 H 1.294 0.02 1 1266 . 126 THR HG1 H 5.194 0.02 1 1267 . 126 THR CG2 C 21.4 0.2 1 1268 . 126 THR C C 175.7 0.2 1 1269 . 127 ASP N N 121.2 0.2 1 1270 . 127 ASP H H 8.940 0.02 1 1271 . 127 ASP CA C 58.4 0.2 1 1272 . 127 ASP HA H 4.511 0.02 1 1273 . 127 ASP CB C 41.0 0.2 1 1274 . 127 ASP HB2 H 2.691 0.02 1 1275 . 127 ASP HB3 H 2.749 0.02 1 1276 . 127 ASP C C 178.9 0.2 1 1277 . 128 ALA N N 120.3 0.2 1 1278 . 128 ALA H H 8.477 0.02 1 1279 . 128 ALA CA C 54.7 0.2 1 1280 . 128 ALA HA H 4.127 0.02 1 1281 . 128 ALA HB H 1.220 0.02 1 1282 . 128 ALA CB C 17.9 0.2 1 1283 . 128 ALA C C 180.0 0.2 1 1284 . 129 GLN N N 115.9 0.2 1 1285 . 129 GLN H H 7.677 0.02 1 1286 . 129 GLN CA C 60.7 0.2 1 1287 . 129 GLN HA H 3.710 0.02 1 1288 . 129 GLN HB2 H 1.926 0.02 1 1289 . 129 GLN HB3 H 2.672 0.02 1 1290 . 129 GLN HG2 H 2.582 0.02 2 1291 . 129 GLN HG3 H 2.657 0.02 2 1292 . 129 GLN HE21 H 6.724 0.02 2 1293 . 129 GLN HE22 H 6.927 0.02 2 1294 . 129 GLN C C 178.2 0.2 1 1295 . 130 TYR N N 116.2 0.2 1 1296 . 130 TYR H H 7.673 0.02 1 1297 . 130 TYR CA C 64.7 0.2 1 1298 . 130 TYR HA H 3.750 0.02 1 1299 . 130 TYR CB C 39.3 0.2 1 1300 . 130 TYR HB2 H 2.740 0.02 1 1301 . 130 TYR HB3 H 2.917 0.02 1 1302 . 130 TYR CD1 C 132.0 0.2 1 1303 . 130 TYR HD1 H 6.831 0.02 1 1304 . 130 TYR CE1 C 118.0 0.2 1 1305 . 130 TYR HE1 H 6.253 0.02 1 1306 . 130 TYR CE2 C 118.0 0.2 1 1307 . 130 TYR HE2 H 6.253 0.02 1 1308 . 130 TYR CD2 C 132.0 0.2 1 1309 . 130 TYR HD2 H 6.831 0.02 1 1310 . 130 TYR HH H 10.350 0.02 1 1311 . 130 TYR C C 177.8 0.2 1 1312 . 131 GLN N N 116.3 0.2 1 1313 . 131 GLN H H 8.134 0.02 1 1314 . 131 GLN CA C 59.3 0.2 1 1315 . 131 GLN HA H 3.973 0.02 1 1316 . 131 GLN CB C 29.9 0.2 1 1317 . 131 GLN HB2 H 2.174 0.02 1 1318 . 131 GLN HB3 H 2.211 0.02 1 1319 . 131 GLN HG2 H 2.426 0.02 2 1320 . 131 GLN HG3 H 2.492 0.02 2 1321 . 131 GLN NE2 N 110.8 0.2 1 1322 . 131 GLN HE22 H 6.751 0.02 1 1323 . 131 GLN HE21 H 7.405 0.02 1 1324 . 131 GLN C C 179.9 0.2 1 1325 . 132 GLN N N 118.6 0.2 1 1326 . 132 GLN H H 8.666 0.02 1 1327 . 132 GLN CA C 57.6 0.2 1 1328 . 132 GLN HA H 4.757 0.02 1 1329 . 132 GLN CB C 31.9 0.2 1 1330 . 132 GLN HB2 H 1.878 0.02 1 1331 . 132 GLN HB3 H 2.089 0.02 1 1332 . 132 GLN HG2 H 2.514 0.02 2 1333 . 132 GLN HG3 H 2.774 0.02 2 1334 . 132 GLN NE2 N 110.9 0.2 1 1335 . 132 GLN HE22 H 6.588 0.02 1 1336 . 132 GLN HE21 H 7.629 0.02 1 1337 . 132 GLN C C 178.2 0.2 1 1338 . 133 LEU N N 121.1 0.2 1 1339 . 133 LEU H H 8.796 0.02 1 1340 . 133 LEU CA C 58.0 0.2 1 1341 . 133 LEU HA H 3.871 0.02 1 1342 . 133 LEU HB2 H 1.263 0.02 1 1343 . 133 LEU HB3 H 1.805 0.02 1 1344 . 133 LEU HG H 1.318 0.02 1 1345 . 133 LEU HD1 H -0.107 0.02 1 1346 . 133 LEU HD2 H 0.543 0.02 1 1347 . 133 LEU CD1 C 22.3 0.2 1 1348 . 133 LEU CD2 C 25.4 0.2 1 1349 . 133 LEU C C 180.7 0.2 1 1350 . 134 ALA N N 123.2 0.2 1 1351 . 134 ALA H H 8.462 0.02 1 1352 . 134 ALA CA C 56.0 0.2 1 1353 . 134 ALA HA H 4.084 0.02 1 1354 . 134 ALA HB H 1.556 0.02 1 1355 . 134 ALA CB C 19.3 0.2 1 1356 . 134 ALA C C 177.6 0.2 1 1357 . 135 ALA N N 121.6 0.2 1 1358 . 135 ALA H H 8.045 0.02 1 1359 . 135 ALA CA C 56.0 0.2 1 1360 . 135 ALA HA H 4.227 0.02 1 1361 . 135 ALA HB H 1.615 0.02 1 1362 . 135 ALA CB C 18.1 0.2 1 1363 . 135 ALA C C 181.7 0.2 1 1364 . 136 VAL N N 119.1 0.2 1 1365 . 136 VAL H H 8.739 0.02 1 1366 . 136 VAL CA C 66.7 0.2 1 1367 . 136 VAL HA H 3.544 0.02 1 1368 . 136 VAL CB C 33.5 0.2 1 1369 . 136 VAL HB H 2.123 0.02 1 1370 . 136 VAL HG1 H 0.872 0.02 1 1371 . 136 VAL HG2 H 1.121 0.02 1 1372 . 136 VAL CG1 C 21.4 0.2 1 1373 . 136 VAL CG2 C 24.1 0.2 1 1374 . 136 VAL C C 177.3 0.2 1 1375 . 137 THR N N 118.0 0.2 1 1376 . 137 THR H H 8.414 0.02 1 1377 . 137 THR CA C 69.1 0.2 1 1378 . 137 THR HA H 3.501 0.02 1 1379 . 137 THR CB C 68.6 0.2 1 1380 . 137 THR HB H 4.224 0.02 1 1381 . 137 THR HG2 H 1.194 0.02 1 1382 . 137 THR CG2 C 22.1 0.2 1 1383 . 137 THR C C 175.7 0.2 1 1384 . 138 ASN N N 119.4 0.2 1 1385 . 138 ASN H H 8.987 0.02 1 1386 . 138 ASN CA C 56.5 0.2 1 1387 . 138 ASN HA H 4.457 0.02 1 1388 . 138 ASN CB C 38.7 0.2 1 1389 . 138 ASN HB2 H 2.660 0.02 1 1390 . 138 ASN HB3 H 2.805 0.02 1 1391 . 138 ASN ND2 N 108.5 0.2 1 1392 . 138 ASN HD22 H 6.723 0.02 1 1393 . 138 ASN HD21 H 7.124 0.02 1 1394 . 138 ASN C C 178.3 0.2 1 1395 . 139 ALA N N 122.7 0.2 1 1396 . 139 ALA H H 7.532 0.02 1 1397 . 139 ALA CA C 55.0 0.2 1 1398 . 139 ALA HA H 4.216 0.02 1 1399 . 139 ALA HB H 1.375 0.02 1 1400 . 139 ALA CB C 17.5 0.2 1 1401 . 139 ALA C C 180.6 0.2 1 1402 . 140 LEU N N 119.3 0.2 1 1403 . 140 LEU H H 8.400 0.02 1 1404 . 140 LEU CA C 57.9 0.2 1 1405 . 140 LEU HA H 3.727 0.02 1 1406 . 140 LEU CB C 42.8 0.2 1 1407 . 140 LEU HB2 H 1.014 0.02 1 1408 . 140 LEU HB3 H 2.162 0.02 1 1409 . 140 LEU HG H 1.571 0.02 1 1410 . 140 LEU HD1 H -0.295 0.02 1 1411 . 140 LEU HD2 H 0.374 0.02 1 1412 . 140 LEU CD1 C 25.8 0.2 1 1413 . 140 LEU CD2 C 21.0 0.2 1 1414 . 140 LEU C C 179.0 0.2 1 1415 . 141 ILE N N 119.9 0.2 1 1416 . 141 ILE H H 8.443 0.02 1 1417 . 141 ILE CA C 64.4 0.2 1 1418 . 141 ILE HA H 3.638 0.02 1 1419 . 141 ILE CB C 39.8 0.2 1 1420 . 141 ILE HB H 1.797 0.02 1 1421 . 141 ILE HG2 H 0.899 0.02 1 1422 . 141 ILE CG2 C 17.8 0.2 1 1423 . 141 ILE HG12 H 0.740 0.02 2 1424 . 141 ILE HG13 H 1.747 0.02 2 1425 . 141 ILE HD1 H 0.784 0.02 1 1426 . 141 ILE CD1 C 14.9 0.2 1 1427 . 141 ILE C C 176.9 0.2 1 1428 . 142 THR N N 111.3 0.2 1 1429 . 142 THR H H 7.195 0.02 1 1430 . 142 THR CA C 65.5 0.2 1 1431 . 142 THR HA H 3.884 0.02 1 1432 . 142 THR CB C 68.4 0.2 1 1433 . 142 THR HB H 4.168 0.02 1 1434 . 142 THR HG2 H 1.286 0.02 1 1435 . 142 THR CG2 C 21.6 0.2 1 1436 . 142 THR C C 174.7 0.2 1 1437 . 143 ARG N N 120.1 0.2 1 1438 . 143 ARG H H 6.720 0.02 1 1439 . 143 ARG CA C 55.8 0.2 1 1440 . 143 ARG HA H 4.135 0.02 1 1441 . 143 ARG CB C 32.6 0.2 1 1442 . 143 ARG HB2 H 1.027 0.02 1 1443 . 143 ARG HB3 H 1.288 0.02 1 1444 . 143 ARG HG2 H 0.346 0.02 2 1445 . 143 ARG HG3 H 0.820 0.02 2 1446 . 143 ARG HD2 H 2.864 0.02 2 1447 . 143 ARG HD3 H 2.947 0.02 2 1448 . 143 ARG HE H 6.566 0.02 1 1449 . 143 ARG C C 175.2 0.2 1 1450 . 144 TYR N N 119.9 0.2 1 1451 . 144 TYR H H 8.743 0.02 1 1452 . 144 TYR CA C 54.2 0.2 1 1453 . 144 TYR HA H 5.125 0.02 1 1454 . 144 TYR HB2 H 2.834 0.02 1 1455 . 144 TYR HB3 H 2.951 0.02 1 1456 . 144 TYR CD1 C 133.7 0.2 1 1457 . 144 TYR HD1 H 6.900 0.02 1 1458 . 144 TYR CE1 C 117.1 0.2 1 1459 . 144 TYR HE1 H 6.463 0.02 1 1460 . 144 TYR CE2 C 117.1 0.2 1 1461 . 144 TYR HE2 H 6.463 0.02 1 1462 . 144 TYR CD2 C 133.7 0.2 1 1463 . 144 TYR HD2 H 6.900 0.02 1 1464 . 144 TYR C C 174.6 0.2 1 1465 . 145 PRO CA C 65.0 0.2 1 1466 . 145 PRO HA H 4.574 0.02 1 1467 . 145 PRO CB C 33.3 0.2 1 1468 . 145 PRO HB2 H 1.900 0.02 2 1469 . 145 PRO HB3 H 2.356 0.02 2 1470 . 145 PRO HG2 H 1.811 0.02 2 1471 . 145 PRO HG3 H 1.980 0.02 2 1472 . 145 PRO HD2 H 3.357 0.02 2 1473 . 145 PRO HD3 H 3.759 0.02 2 1474 . 145 PRO C C 179.5 0.2 1 1475 . 146 ALA N N 119.3 0.2 1 1476 . 146 ALA H H 8.486 0.02 1 1477 . 146 ALA CA C 54.4 0.2 1 1478 . 146 ALA HA H 4.223 0.02 1 1479 . 146 ALA HB H 1.444 0.02 1 1480 . 146 ALA CB C 18.8 0.2 1 1481 . 146 ALA C C 180.0 0.2 1 1482 . 147 ILE N N 118.5 0.2 1 1483 . 147 ILE H H 8.196 0.02 1 1484 . 147 ILE CA C 64.2 0.2 1 1485 . 147 ILE HA H 3.702 0.02 1 1486 . 147 ILE CB C 38.1 0.2 1 1487 . 147 ILE HB H 1.855 0.02 1 1488 . 147 ILE HG2 H 0.740 0.02 1 1489 . 147 ILE CG2 C 17.3 0.2 1 1490 . 147 ILE HG12 H 0.875 0.02 2 1491 . 147 ILE HG13 H 1.475 0.02 2 1492 . 147 ILE HD1 H 0.560 0.02 1 1493 . 147 ILE CD1 C 14.2 0.2 1 1494 . 147 ILE C C 176.3 0.2 1 1495 . 148 ALA N N 118.2 0.2 1 1496 . 148 ALA H H 7.290 0.02 1 1497 . 148 ALA CA C 54.8 0.2 1 1498 . 148 ALA HA H 3.797 0.02 1 1499 . 148 ALA HB H 1.391 0.02 1 1500 . 148 ALA CB C 18.7 0.2 1 1501 . 148 ALA C C 178.2 0.2 1 1502 . 149 ASN N N 110.7 0.2 1 1503 . 149 ASN H H 7.321 0.02 1 1504 . 149 ASN CA C 52.8 0.2 1 1505 . 149 ASN HA H 4.917 0.02 1 1506 . 149 ASN CB C 41.5 0.2 1 1507 . 149 ASN HB2 H 2.625 0.02 1 1508 . 149 ASN HB3 H 3.033 0.02 1 1509 . 149 ASN ND2 N 112.9 0.2 1 1510 . 149 ASN HD22 H 6.931 0.02 1 1511 . 149 ASN HD21 H 7.544 0.02 1 1512 . 149 ASN C C 174.7 0.2 1 1513 . 150 ASN N N 120.7 0.2 1 1514 . 150 ASN H H 7.870 0.02 1 1515 . 150 ASN CA C 52.7 0.2 1 1516 . 150 ASN HA H 5.067 0.02 1 1517 . 150 ASN CB C 42.2 0.2 1 1518 . 150 ASN HB2 H 2.318 0.02 1 1519 . 150 ASN HB3 H 3.576 0.02 1 1520 . 150 ASN ND2 N 118.8 0.2 1 1521 . 150 ASN HD22 H 7.444 0.02 1 1522 . 150 ASN HD21 H 7.837 0.02 1 1523 . 150 ASN C C 170.3 0.2 1 1524 . 151 MET N N 121.6 0.2 1 1525 . 151 MET H H 8.546 0.02 1 1526 . 151 MET CA C 54.7 0.2 1 1527 . 151 MET HA H 5.362 0.02 1 1528 . 151 MET HB2 H 2.287 0.02 1 1529 . 151 MET HB3 H 2.548 0.02 1 1530 . 151 MET HG2 H 2.032 0.02 2 1531 . 151 MET HG3 H 2.795 0.02 2 1532 . 151 MET HE H 1.977 0.02 1 1533 . 151 MET C C 174.2 0.2 1 1534 . 152 THR N N 117.9 0.2 1 1535 . 152 THR H H 9.067 0.02 1 1536 . 152 THR CA C 61.2 0.2 1 1537 . 152 THR HA H 4.345 0.02 1 1538 . 152 THR HB H 3.755 0.02 1 1539 . 152 THR HG2 H 1.019 0.02 1 1540 . 152 THR CG2 C 20.4 0.2 1 1541 . 152 THR C C 172.5 0.2 1 1542 . 153 GLY N N 109.4 0.2 1 1543 . 153 GLY H H 8.509 0.02 1 1544 . 153 GLY CA C 43.8 0.2 1 1545 . 153 GLY HA2 H 4.139 0.02 1 1546 . 153 GLY HA3 H 5.053 0.02 1 1547 . 153 GLY C C 175.5 0.2 1 1548 . 154 HIS N N 124.0 0.2 1 1549 . 154 HIS H H 7.825 0.02 1 1550 . 154 HIS CA C 56.7 0.2 1 1551 . 154 HIS HA H 4.096 0.02 1 1552 . 154 HIS CB C 31.1 0.2 1 1553 . 154 HIS HB2 H 2.148 0.02 1 1554 . 154 HIS HB3 H 3.579 0.02 1 1555 . 154 HIS ND1 N 219.2 0.2 1 1556 . 154 HIS HD2 H 7.176 0.02 1 1557 . 154 HIS NE2 N 167.5 0.2 1 1558 . 154 HIS HE1 H 8.758 0.02 1 1559 . 154 HIS HE2 H 10.382 0.02 1 1560 . 154 HIS C C 177.8 0.2 1 1561 . 155 CYS N N 113.5 0.2 1 1562 . 155 CYS H H 8.932 0.02 1 1563 . 155 CYS CA C 58.0 0.2 1 1564 . 155 CYS HA H 4.151 0.02 1 1565 . 155 CYS CB C 29.0 0.2 1 1566 . 155 CYS HB2 H 2.299 0.02 1 1567 . 155 CYS HB3 H 3.194 0.02 1 1568 . 155 CYS C C 174.1 0.2 1 1569 . 156 ASN N N 117.5 0.2 1 1570 . 156 ASN H H 7.493 0.02 1 1571 . 156 ASN CA C 56.4 0.2 1 1572 . 156 ASN HA H 4.703 0.02 1 1573 . 156 ASN CB C 40.7 0.2 1 1574 . 156 ASN HB2 H 2.977 0.02 1 1575 . 156 ASN HB3 H 3.303 0.02 1 1576 . 156 ASN ND2 N 110.9 0.2 1 1577 . 156 ASN HD22 H 6.384 0.02 1 1578 . 156 ASN HD21 H 8.597 0.02 1 1579 . 156 ASN C C 176.9 0.2 1 1580 . 157 ILE N N 109.6 0.2 1 1581 . 157 ILE H H 7.332 0.02 1 1582 . 157 ILE CA C 61.2 0.2 1 1583 . 157 ILE HA H 5.162 0.02 1 1584 . 157 ILE HB H 2.432 0.02 1 1585 . 157 ILE HG2 H 1.129 0.02 1 1586 . 157 ILE CG2 C 17.3 0.2 1 1587 . 157 ILE HG12 H 1.629 0.02 2 1588 . 157 ILE HG13 H 1.786 0.02 2 1589 . 157 ILE HD1 H 0.757 0.02 1 1590 . 157 ILE CD1 C 14.9 0.2 1 1591 . 157 ILE C C 175.0 0.2 1 1592 . 158 ALA N N 125.8 0.2 1 1593 . 158 ALA H H 7.727 0.02 1 1594 . 158 ALA CA C 50.8 0.2 1 1595 . 158 ALA HA H 5.060 0.02 1 1596 . 158 ALA HB H 1.263 0.02 1 1597 . 158 ALA CB C 18.9 0.2 1 1598 . 158 ALA C C 173.7 0.2 1 1599 . 159 PRO CA C 61.4 0.2 1 1600 . 159 PRO HA H 4.749 0.02 1 1601 . 159 PRO HG2 H 1.965 0.02 1 1602 . 159 PRO HG3 H 1.965 0.02 1 1603 . 159 PRO HD2 H 3.288 0.02 2 1604 . 159 PRO HD3 H 3.594 0.02 2 1605 . 159 PRO C C 179.0 0.2 1 1606 . 160 GLU N N 117.1 0.2 1 1607 . 160 GLU H H 8.972 0.02 1 1608 . 160 GLU CA C 58.3 0.2 1 1609 . 160 GLU HA H 4.142 0.02 1 1610 . 160 GLU HB2 H 2.093 0.02 1 1611 . 160 GLU HB3 H 2.136 0.02 1 1612 . 160 GLU HG2 H 2.245 0.02 2 1613 . 160 GLU HG3 H 2.286 0.02 2 1614 . 160 GLU C C 174.5 0.2 1 1615 . 161 ARG N N 116.7 0.2 1 1616 . 161 ARG H H 7.751 0.02 1 1617 . 161 ARG CA C 57.1 0.2 1 1618 . 161 ARG HA H 4.538 0.02 1 1619 . 161 ARG HB2 H 1.635 0.02 1 1620 . 161 ARG HB3 H 1.788 0.02 1 1621 . 161 ARG HG2 H 1.481 0.02 1 1622 . 161 ARG HG3 H 1.481 0.02 1 1623 . 161 ARG C C 175.6 0.2 1 1624 . 162 LYS N N 117.3 0.2 1 1625 . 162 LYS H H 7.942 0.02 1 1626 . 162 LYS CA C 52.9 0.2 1 1627 . 162 LYS HA H 4.868 0.02 1 1628 . 162 LYS HB2 H 1.194 0.02 1 1629 . 162 LYS HB3 H 1.818 0.02 1 1630 . 162 LYS HG2 H 1.112 0.02 2 1631 . 162 LYS HG3 H 1.261 0.02 2 1632 . 162 LYS C C 176.2 0.2 1 1633 . 163 THR N N 112.8 0.2 1 1634 . 163 THR H H 8.938 0.02 1 1635 . 163 THR CA C 61.9 0.2 1 1636 . 163 THR HA H 4.423 0.02 1 1637 . 163 THR HB H 4.381 0.02 1 1638 . 163 THR HG2 H 1.116 0.02 1 1639 . 163 THR CG2 C 20.8 0.2 1 1640 . 163 THR C C 172.9 0.2 1 1641 . 164 ASP N N 121.0 0.2 1 1642 . 164 ASP H H 9.686 0.02 1 1643 . 164 ASP CA C 52.7 0.2 1 1644 . 164 ASP HA H 4.617 0.02 1 1645 . 164 ASP HB2 H 2.598 0.02 1 1646 . 164 ASP HB3 H 3.315 0.02 1 1647 . 165 PRO CA C 63.5 0.2 1 1648 . 165 PRO HA H 4.617 0.02 1 1649 . 165 PRO C C 174.8 0.2 1 1650 . 166 GLY N N 111.1 0.2 1 1651 . 166 GLY H H 8.010 0.02 1 1652 . 166 GLY CA C 46.1 0.2 1 1653 . 166 GLY HA2 H 4.221 0.02 1 1654 . 166 GLY HA3 H 4.537 0.02 1 1655 . 167 PRO CA C 63.9 0.2 1 1656 . 167 PRO HA H 4.666 0.02 1 1657 . 167 PRO CB C 32.6 0.2 1 1658 . 167 PRO HB2 H 2.451 0.02 1 1659 . 167 PRO HB3 H 2.451 0.02 1 1660 . 167 PRO HG2 H 2.105 0.02 1 1661 . 167 PRO HG3 H 2.105 0.02 1 1662 . 167 PRO HD2 H 3.745 0.02 2 1663 . 167 PRO HD3 H 4.124 0.02 2 1664 . 167 PRO C C 176.9 0.2 1 1665 . 168 SER N N 110.8 0.2 1 1666 . 168 SER H H 7.938 0.02 1 1667 . 168 SER CA C 59.3 0.2 1 1668 . 168 SER HA H 4.154 0.02 1 1669 . 168 SER CB C 62.8 0.2 1 1670 . 168 SER HB2 H 3.289 0.02 1 1671 . 168 SER HB3 H 3.687 0.02 1 1672 . 168 SER C C 175.8 0.2 1 1673 . 169 PHE N N 123.7 0.2 1 1674 . 169 PHE H H 7.744 0.02 1 1675 . 169 PHE CA C 59.9 0.2 1 1676 . 169 PHE HA H 4.306 0.02 1 1677 . 169 PHE CB C 39.4 0.2 1 1678 . 169 PHE HB2 H 2.641 0.02 1 1679 . 169 PHE HB3 H 2.841 0.02 1 1680 . 169 PHE CD1 C 130.3 0.2 1 1681 . 169 PHE HD1 H 5.530 0.02 1 1682 . 169 PHE CE1 C 130.0 0.2 1 1683 . 169 PHE HE1 H 5.256 0.02 1 1684 . 169 PHE CZ C 127.5 0.2 1 1685 . 169 PHE HZ H 5.619 0.02 1 1686 . 169 PHE CE2 C 130.0 0.2 1 1687 . 169 PHE HE2 H 5.256 0.02 1 1688 . 169 PHE CD2 C 130.3 0.2 1 1689 . 169 PHE HD2 H 5.530 0.02 1 1690 . 169 PHE C C 173.0 0.2 1 1691 . 170 ASP N N 129.6 0.2 1 1692 . 170 ASP H H 8.039 0.02 1 1693 . 170 ASP CA C 52.1 0.2 1 1694 . 170 ASP HA H 4.610 0.02 1 1695 . 170 ASP CB C 41.5 0.2 1 1696 . 170 ASP HB2 H 2.334 0.02 1 1697 . 170 ASP HB3 H 2.690 0.02 1 1698 . 170 ASP C C 174.9 0.2 1 1699 . 171 TRP N N 125.3 0.2 1 1700 . 171 TRP H H 8.007 0.02 1 1701 . 171 TRP CA C 61.5 0.2 1 1702 . 171 TRP HA H 4.095 0.02 1 1703 . 171 TRP CB C 31.2 0.2 1 1704 . 171 TRP HB2 H 3.250 0.02 1 1705 . 171 TRP HB3 H 3.449 0.02 1 1706 . 171 TRP CD1 C 127.5 0.2 1 1707 . 171 TRP CE3 C 120.3 0.2 1 1708 . 171 TRP NE1 N 131.1 0.2 1 1709 . 171 TRP HD1 H 7.656 0.02 1 1710 . 171 TRP HE3 H 7.841 0.02 1 1711 . 171 TRP CZ3 C 121.3 0.2 1 1712 . 171 TRP CZ2 C 114.3 0.2 1 1713 . 171 TRP HE1 H 10.946 0.02 1 1714 . 171 TRP HZ3 H 7.038 0.02 1 1715 . 171 TRP CH2 C 123.3 0.2 1 1716 . 171 TRP HZ2 H 6.967 0.02 1 1717 . 171 TRP HH2 H 6.700 0.02 1 1718 . 171 TRP C C 178.4 0.2 1 1719 . 172 ALA N N 120.9 0.2 1 1720 . 172 ALA H H 8.369 0.02 1 1721 . 172 ALA CA C 55.4 0.2 1 1722 . 172 ALA HA H 4.156 0.02 1 1723 . 172 ALA HB H 1.482 0.02 1 1724 . 172 ALA CB C 17.7 0.2 1 1725 . 172 ALA C C 180.6 0.2 1 1726 . 173 ARG N N 120.7 0.2 1 1727 . 173 ARG H H 7.521 0.02 1 1728 . 173 ARG CA C 58.1 0.2 1 1729 . 173 ARG HA H 3.780 0.02 1 1730 . 173 ARG CB C 31.7 0.2 1 1731 . 173 ARG HB2 H 1.302 0.02 1 1732 . 173 ARG HB3 H 1.531 0.02 1 1733 . 173 ARG HG2 H 1.422 0.02 1 1734 . 173 ARG HG3 H 1.497 0.02 1 1735 . 173 ARG HD2 H 2.632 0.02 1 1736 . 173 ARG HD3 H 2.632 0.02 1 1737 . 173 ARG HE H 6.809 0.02 1 1738 . 173 ARG C C 178.0 0.2 1 1739 . 174 PHE N N 116.5 0.2 1 1740 . 174 PHE H H 7.816 0.02 1 1741 . 174 PHE CA C 59.8 0.2 1 1742 . 174 PHE HA H 4.411 0.02 1 1743 . 174 PHE CB C 40.6 0.2 1 1744 . 174 PHE HB3 H 2.932 0.02 1 1745 . 174 PHE HB2 H 3.030 0.02 1 1746 . 174 PHE CD1 C 131.9 0.2 1 1747 . 174 PHE HD1 H 7.247 0.02 1 1748 . 174 PHE CE1 C 131.2 0.2 1 1749 . 174 PHE HE1 H 7.097 0.02 1 1750 . 174 PHE CZ C 130.9 0.2 1 1751 . 174 PHE HZ H 7.367 0.02 1 1752 . 174 PHE CE2 C 131.2 0.2 1 1753 . 174 PHE HE2 H 7.097 0.02 1 1754 . 174 PHE CD2 C 131.9 0.2 1 1755 . 174 PHE HD2 H 7.247 0.02 1 1756 . 174 PHE C C 176.9 0.2 1 1757 . 175 ARG N N 116.1 0.2 1 1758 . 175 ARG H H 8.956 0.02 1 1759 . 175 ARG CA C 60.0 0.2 1 1760 . 175 ARG HA H 3.437 0.02 1 1761 . 175 ARG CB C 31.4 0.2 1 1762 . 175 ARG HB2 H 1.874 0.02 1 1763 . 175 ARG HB3 H 1.874 0.02 1 1764 . 175 ARG HG2 H 1.681 0.02 2 1765 . 175 ARG HG3 H 1.815 0.02 2 1766 . 175 ARG HD2 H 2.991 0.02 1 1767 . 175 ARG HD3 H 2.991 0.02 1 1768 . 175 ARG C C 178.8 0.2 1 1769 . 176 ALA N N 118.8 0.2 1 1770 . 176 ALA H H 7.377 0.02 1 1771 . 176 ALA CA C 54.1 0.2 1 1772 . 176 ALA HA H 4.128 0.02 1 1773 . 176 ALA HB H 1.428 0.02 1 1774 . 176 ALA CB C 19.0 0.2 1 1775 . 176 ALA C C 178.8 0.2 1 1776 . 177 LEU N N 116.4 0.2 1 1777 . 177 LEU H H 7.517 0.02 1 1778 . 177 LEU CA C 55.4 0.2 1 1779 . 177 LEU HA H 4.226 0.02 1 1780 . 177 LEU CB C 44.4 0.2 1 1781 . 177 LEU HB2 H 1.890 0.02 1 1782 . 177 LEU HB3 H 2.019 0.02 1 1783 . 177 LEU HG H 1.909 0.02 1 1784 . 177 LEU HD1 H 0.823 0.02 1 1785 . 177 LEU HD2 H 0.885 0.02 1 1786 . 177 LEU CD1 C 25.8 0.2 1 1787 . 177 LEU CD2 C 22.2 0.2 1 1788 . 177 LEU C C 177.7 0.2 1 1789 . 178 VAL N N 118.2 0.2 1 1790 . 178 VAL H H 7.086 0.02 1 1791 . 178 VAL CA C 62.1 0.2 1 1792 . 178 VAL HA H 4.328 0.02 1 1793 . 178 VAL CB C 34.0 0.2 1 1794 . 178 VAL HB H 1.874 0.02 1 1795 . 178 VAL HG1 H 0.751 0.02 1 1796 . 178 VAL HG2 H 0.473 0.02 1 1797 . 178 VAL CG1 C 21.6 0.2 1 1798 . 178 VAL CG2 C 21.2 0.2 1 1799 . 178 VAL C C 175.6 0.2 1 1800 . 179 THR N N 120.0 0.2 1 1801 . 179 THR H H 8.167 0.02 1 1802 . 179 THR CA C 59.7 0.2 1 1803 . 179 THR HA H 4.454 0.02 1 1804 . 179 THR HB H 4.045 0.02 1 1805 . 179 THR HG2 H 1.155 0.02 1 1806 . 179 THR CG2 C 21.4 0.2 1 1807 . 179 THR C C 172.5 0.2 1 1808 . 180 PRO CA C 63.1 0.2 1 1809 . 180 PRO HA H 4.408 0.02 1 1810 . 180 PRO CB C 33.4 0.2 1 1811 . 180 PRO HB2 H 2.269 0.02 1 1812 . 180 PRO HB3 H 2.269 0.02 1 1813 . 180 PRO HG2 H 1.925 0.02 2 1814 . 180 PRO HG3 H 1.960 0.02 2 1815 . 180 PRO HD2 H 3.633 0.02 2 1816 . 180 PRO HD3 H 3.755 0.02 2 1817 . 180 PRO C C 177.0 0.2 1 1818 . 181 SER N N 115.5 0.2 1 1819 . 181 SER H H 8.297 0.02 1 1820 . 181 SER CA C 58.4 0.2 1 1821 . 181 SER HA H 4.349 0.02 1 1822 . 181 SER CB C 65.9 0.2 1 1823 . 181 SER HB2 H 3.775 0.02 1 1824 . 181 SER HB3 H 3.844 0.02 1 1825 . 181 SER C C 174.5 0.2 1 1826 . 182 SER N N 117.9 0.2 1 1827 . 182 SER H H 8.203 0.02 1 1828 . 182 SER CA C 58.5 0.2 1 1829 . 182 SER HA H 4.385 0.02 1 1830 . 182 SER CB C 63.0 0.2 1 1831 . 182 SER HB2 H 3.787 0.02 1 1832 . 182 SER HB3 H 3.828 0.02 1 1833 . 182 SER C C 173.4 0.2 1 1834 . 183 HIS N N 125.3 0.2 1 1835 . 183 HIS H H 8.368 0.02 1 1836 . 183 HIS CA C 58.4 0.2 1 1837 . 183 HIS HA H 4.658 0.02 1 1838 . 183 HIS HB2 H 3.116 0.02 1 1839 . 183 HIS HB3 H 3.224 0.02 1 1840 . 183 HIS ND1 N 177.5 0.2 1 1841 . 183 HIS NE2 N 173.4 0.2 1 1842 . 183 HIS HD2 H 7.209 0.02 1 1843 . 183 HIS HE1 H 8.488 0.02 1 1844 . 183 HIS C C 179.1 0.2 1 1845 . 184 LYS N N 123.0 0.2 1 1846 . 184 LYS H H 8.243 0.02 1 1847 . 184 LYS CA C 58.0 0.2 1 1848 . 184 LYS HA H 4.266 0.02 1 1849 . 184 LYS CB C 34.4 0.2 1 1850 . 184 LYS HB2 H 1.678 0.02 1 1851 . 184 LYS HB3 H 1.759 0.02 1 1852 . 184 LYS HG2 H 1.366 0.02 1 1853 . 184 LYS HG3 H 1.366 0.02 1 1854 . 184 LYS HD2 H 1.634 0.02 1 1855 . 184 LYS HD3 H 1.634 0.02 1 1856 . 184 LYS HE2 H 2.961 0.02 1 1857 . 184 LYS HE3 H 2.961 0.02 1 1858 . 184 LYS C C 178.2 0.2 1 1859 . 185 GLU N N 122.5 0.2 1 1860 . 185 GLU H H 8.522 0.02 1 1861 . 185 GLU CA C 58.1 0.2 1 1862 . 185 GLU HA H 4.268 0.02 1 1863 . 185 GLU HB2 H 1.906 0.02 1 1864 . 185 GLU HB3 H 2.039 0.02 1 1865 . 185 GLU HG2 H 2.284 0.02 1 1866 . 185 GLU HG3 H 2.284 0.02 1 1867 . 185 GLU C C 176.4 0.2 1 1868 . 186 MET N N 121.9 0.2 1 1869 . 186 MET H H 8.383 0.02 1 1870 . 186 MET CA C 55.6 0.2 1 1871 . 186 MET HA H 4.521 0.02 1 1872 . 186 MET CB C 33.9 0.2 1 1873 . 186 MET HB2 H 1.988 0.02 1 1874 . 186 MET HB3 H 2.127 0.02 1 1875 . 186 MET HG2 H 2.517 0.02 2 1876 . 186 MET HG3 H 2.587 0.02 2 1877 . 186 MET HE H 2.062 0.02 1 1878 . 186 MET C C 175.5 0.2 1 1879 . 187 THR N N 120.3 0.2 1 1880 . 187 THR H H 7.709 0.02 1 1881 . 187 THR CA C 63.1 0.2 1 1882 . 187 THR HA H 4.125 0.02 1 1883 . 187 THR HB H 4.201 0.02 1 1884 . 187 THR HG2 H 1.118 0.02 1 1885 . 187 THR CG2 C 21.1 0.2 1 1886 . 187 THR C C 179.1 0.2 1 stop_ save_