data_25026 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of putative beta-lactamase (NP_372339.1) from Staphylococcus aureus Mu50 ; _BMRB_accession_number 25026 _BMRB_flat_file_name bmr25026.str _Entry_type original _Submission_date 2014-06-18 _Accession_date 2014-06-18 _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 Dutta Samit K. . 2 Serrano Pedro . . 3 Geralt Michael . . 4 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 860 "13C chemical shifts" 484 "15N chemical shifts" 164 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-09-02 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 25027 'NMR structure of the hypothetical protein BVU_0925 from Bacteroides vulgatus ATCC 8482' 25028 'NMR structure of the hypotheical protein Lreu_0056 from Lactobacillus reuteri' stop_ _Original_release_date 2014-09-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of putative beta-lactamase (NP_372339.1) from Staphylococcus aureus Mu50' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dutta Samit K. . 2 Serrano Pedro . . 3 Geralt Michael . . 4 Wuthrich Kurt . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NMR structure of putative beta-lactamase (NP_372339.1) from Staphylococcus aureus Mu50' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'probable beta-lactamase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 16609.299 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 152 _Mol_residue_sequence ; GEEKMTNGQLWKKVKDSLID SNIISGNENEEITVTYVNKT GYSSSVSAYGNNNDDFSSTP SNFSKLKEIDLKKDNVPSDD FNTTVSGEDSWKTLTSKLKE KGLVTDGQTVTIHCNDKSDN TKSSVSGKVGADLTSGNGTT FKKRFIDKITID ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 GLU 3 3 GLU 4 4 LYS 5 5 MET 6 6 THR 7 7 ASN 8 8 GLY 9 9 GLN 10 10 LEU 11 11 TRP 12 12 LYS 13 13 LYS 14 14 VAL 15 15 LYS 16 16 ASP 17 17 SER 18 18 LEU 19 19 ILE 20 20 ASP 21 21 SER 22 22 ASN 23 23 ILE 24 24 ILE 25 25 SER 26 26 GLY 27 27 ASN 28 28 GLU 29 29 ASN 30 30 GLU 31 31 GLU 32 32 ILE 33 33 THR 34 34 VAL 35 35 THR 36 36 TYR 37 37 VAL 38 38 ASN 39 39 LYS 40 40 THR 41 41 GLY 42 42 TYR 43 43 SER 44 44 SER 45 45 SER 46 46 VAL 47 47 SER 48 48 ALA 49 49 TYR 50 50 GLY 51 51 ASN 52 52 ASN 53 53 ASN 54 54 ASP 55 55 ASP 56 56 PHE 57 57 SER 58 58 SER 59 59 THR 60 60 PRO 61 61 SER 62 62 ASN 63 63 PHE 64 64 SER 65 65 LYS 66 66 LEU 67 67 LYS 68 68 GLU 69 69 ILE 70 70 ASP 71 71 LEU 72 72 LYS 73 73 LYS 74 74 ASP 75 75 ASN 76 76 VAL 77 77 PRO 78 78 SER 79 79 ASP 80 80 ASP 81 81 PHE 82 82 ASN 83 83 THR 84 84 THR 85 85 VAL 86 86 SER 87 87 GLY 88 88 GLU 89 89 ASP 90 90 SER 91 91 TRP 92 92 LYS 93 93 THR 94 94 LEU 95 95 THR 96 96 SER 97 97 LYS 98 98 LEU 99 99 LYS 100 100 GLU 101 101 LYS 102 102 GLY 103 103 LEU 104 104 VAL 105 105 THR 106 106 ASP 107 107 GLY 108 108 GLN 109 109 THR 110 110 VAL 111 111 THR 112 112 ILE 113 113 HIS 114 114 CYS 115 115 ASN 116 116 ASP 117 117 LYS 118 118 SER 119 119 ASP 120 120 ASN 121 121 THR 122 122 LYS 123 123 SER 124 124 SER 125 125 VAL 126 126 SER 127 127 GLY 128 128 LYS 129 129 VAL 130 130 GLY 131 131 ALA 132 132 ASP 133 133 LEU 134 134 THR 135 135 SER 136 136 GLY 137 137 ASN 138 138 GLY 139 139 THR 140 140 THR 141 141 PHE 142 142 LYS 143 143 LYS 144 144 ARG 145 145 PHE 146 146 ILE 147 147 ASP 148 148 LYS 149 149 ILE 150 150 THR 151 151 ILE 152 152 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 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 2MQB "Nmr Structure Of Putative Beta-lactamase (np_372339.1) From Staphylococcus Aureus Mu50" 100.00 152 100.00 100.00 2.12e-100 DBJ BAB42901 "probable beta-lactamase [Staphylococcus aureus subsp. aureus N315]" 100.00 193 99.34 99.34 4.34e-100 DBJ BAB57977 "probable beta-lactamase [Staphylococcus aureus subsp. aureus Mu50]" 100.00 193 99.34 99.34 4.34e-100 DBJ BAF78683 "probable beta-lactamase [Staphylococcus aureus subsp. aureus Mu3]" 100.00 193 99.34 99.34 4.34e-100 EMBL CBX35026 "ear protein [Staphylococcus aureus subsp. aureus ECT-R 2]" 100.00 193 99.34 99.34 4.34e-100 EMBL CCJ11292 "Putative Probable beta-lactamase [Staphylococcus aureus subsp. aureus ST228]" 100.00 193 99.34 99.34 4.34e-100 EMBL CCJ13257 "Putative Probable beta-lactamase [Staphylococcus aureus subsp. aureus ST228]" 100.00 193 99.34 99.34 4.34e-100 EMBL CCJ15221 "Putative Probable beta-lactamase [Staphylococcus aureus subsp. aureus ST228]" 100.00 193 99.34 99.34 4.34e-100 EMBL CCJ19148 "Putative Probable beta-lactamase [Staphylococcus aureus subsp. aureus ST228]" 100.00 193 99.34 99.34 4.34e-100 GB ABQ49653 "hypothetical protein SaurJH9_1866 [Staphylococcus aureus subsp. aureus JH9]" 100.00 193 99.34 99.34 4.34e-100 GB ABR52738 "putative beta-lactamase [Staphylococcus aureus subsp. aureus JH1]" 100.00 193 99.34 99.34 4.34e-100 GB ACY11710 "putative beta-lactamase [Staphylococcus aureus subsp. aureus ED98]" 100.00 193 99.34 99.34 4.34e-100 GB ADC37981 "probable beta-lactamase [Staphylococcus aureus 04-02981]" 100.00 193 99.34 99.34 4.34e-100 GB AHM70591 "beta-lactamase [Staphylococcus aureus]" 100.00 193 99.34 99.34 4.34e-100 REF WP_001092756 "hypothetical protein [Staphylococcus aureus]" 100.00 193 99.34 99.34 3.81e-100 REF WP_001092778 "hypothetical protein [Staphylococcus aureus]" 100.00 193 98.68 99.34 2.28e-99 REF WP_001092779 "hypothetical protein [Staphylococcus aureus]" 100.00 193 98.68 98.68 4.39e-99 REF WP_001092780 "hypothetical protein [Staphylococcus aureus]" 100.00 193 99.34 99.34 4.34e-100 REF WP_001092781 "hypothetical protein [Staphylococcus aureus]" 100.00 193 98.68 99.34 7.74e-100 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $entity firmicutes 158878 Bacteria . Staphylococcus aureus MU50 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 $entity 'recombinant technology' . Escherichia coli Bl21 SpeedET 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 $entity 1.2 mM '[U-99% 13C; U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'G??ntert P.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_APSY_4D-HACANH_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 4D-HACANH' _Sample_label $sample_1 save_ save_APSY_5D-HACACONH_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-HACACONH' _Sample_label $sample_1 save_ save_APSY_5D-CBCACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-CBCACONH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 308 . K pH 6.0 . pH pressure 1 . atm 'ionic strength' 0.0798 . M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 'APSY 4D-HACANH' 'APSY 5D-HACACONH' 'APSY 5D-CBCACONH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLU HA H 4.307 0.006 1 2 2 2 GLU HB2 H 2.017 0.006 2 3 2 2 GLU HB3 H 1.849 0.006 2 4 2 2 GLU CA C 53.663 0.109 1 5 2 2 GLU CB C 27.757 0.109 1 6 3 3 GLU H H 8.681 0.006 1 7 3 3 GLU HA H 4.242 0.006 1 8 3 3 GLU HB2 H 1.959 0.006 2 9 3 3 GLU HB3 H 1.891 0.006 2 10 3 3 GLU HG2 H 2.163 0.006 1 11 3 3 GLU HG3 H 2.163 0.006 1 12 3 3 GLU CA C 54.185 0.109 1 13 3 3 GLU CB C 27.672 0.109 1 14 3 3 GLU CG C 33.605 0.109 1 15 3 3 GLU N N 123.386 0.160 1 16 4 4 LYS H H 8.389 0.006 1 17 4 4 LYS HA H 4.350 0.006 1 18 4 4 LYS HB2 H 1.801 0.006 2 19 4 4 LYS HB3 H 1.704 0.006 2 20 4 4 LYS CA C 53.233 0.109 1 21 4 4 LYS CB C 30.256 0.109 1 22 4 4 LYS N N 123.172 0.160 1 23 5 5 MET H H 8.429 0.006 1 24 5 5 MET HA H 4.724 0.006 1 25 5 5 MET HB2 H 1.964 0.006 2 26 5 5 MET HB3 H 1.826 0.006 2 27 5 5 MET HG2 H 2.305 0.006 2 28 5 5 MET HG3 H 2.267 0.006 2 29 5 5 MET HE H 1.475 0.006 1 30 5 5 MET CA C 52.869 0.109 1 31 5 5 MET CB C 33.035 0.109 1 32 5 5 MET CG C 28.361 0.109 1 33 5 5 MET CE C 13.906 0.109 1 34 5 5 MET N N 121.550 0.160 1 35 6 6 THR H H 9.008 0.006 1 36 6 6 THR HA H 4.384 0.006 1 37 6 6 THR HB H 4.339 0.006 1 38 6 6 THR HG2 H 1.063 0.006 1 39 6 6 THR CA C 54.057 0.109 1 40 6 6 THR CB C 68.693 0.109 1 41 6 6 THR CG2 C 19.292 0.109 1 42 6 6 THR N N 119.789 0.160 1 43 7 7 ASN H H 9.037 0.006 1 44 7 7 ASN HA H 4.293 0.006 1 45 7 7 ASN HB2 H 2.821 0.006 2 46 7 7 ASN HB3 H 2.452 0.006 2 47 7 7 ASN HD21 H 7.194 0.006 2 48 7 7 ASN HD22 H 7.033 0.006 2 49 7 7 ASN CA C 53.958 0.109 1 50 7 7 ASN CB C 35.627 0.109 1 51 7 7 ASN N N 119.590 0.160 1 52 7 7 ASN ND2 N 110.135 0.160 1 53 8 8 GLY H H 7.615 0.006 1 54 8 8 GLY HA2 H 3.766 0.006 2 55 8 8 GLY HA3 H 3.263 0.006 2 56 8 8 GLY CA C 44.314 0.109 1 57 8 8 GLY N N 105.488 0.160 1 58 9 9 GLN H H 7.838 0.006 1 59 9 9 GLN HA H 3.905 0.006 1 60 9 9 GLN HB2 H 2.191 0.006 2 61 9 9 GLN HB3 H 1.737 0.006 2 62 9 9 GLN HG2 H 2.414 0.006 1 63 9 9 GLN HG3 H 2.414 0.006 1 64 9 9 GLN HE21 H 6.727 0.006 2 65 9 9 GLN HE22 H 7.512 0.006 2 66 9 9 GLN CA C 56.178 0.109 1 67 9 9 GLN CB C 26.198 0.109 1 68 9 9 GLN CG C 31.857 0.109 1 69 9 9 GLN N N 121.531 0.160 1 70 9 9 GLN NE2 N 110.961 0.160 1 71 10 10 LEU H H 8.232 0.006 1 72 10 10 LEU HA H 3.822 0.006 1 73 10 10 LEU HB2 H 1.827 0.006 2 74 10 10 LEU HB3 H 1.198 0.006 2 75 10 10 LEU HG H 1.047 0.006 1 76 10 10 LEU HD1 H 0.098 0.006 2 77 10 10 LEU HD2 H 0.208 0.006 2 78 10 10 LEU CA C 56.071 0.109 1 79 10 10 LEU CB C 39.087 0.109 1 80 10 10 LEU CG C 25.377 0.109 1 81 10 10 LEU CD1 C 22.295 0.109 2 82 10 10 LEU CD2 C 23.852 0.109 2 83 10 10 LEU N N 121.931 0.160 1 84 11 11 TRP H H 8.205 0.006 1 85 11 11 TRP HA H 3.543 0.006 1 86 11 11 TRP HB2 H 3.238 0.006 1 87 11 11 TRP HB3 H 3.728 0.006 1 88 11 11 TRP HD1 H 7.015 0.006 1 89 11 11 TRP HE1 H 9.844 0.006 1 90 11 11 TRP HE3 H 7.453 0.006 1 91 11 11 TRP HZ2 H 6.869 0.006 1 92 11 11 TRP HZ3 H 6.905 0.006 1 93 11 11 TRP HH2 H 7.110 0.006 1 94 11 11 TRP CA C 60.699 0.109 1 95 11 11 TRP CB C 27.335 0.109 1 96 11 11 TRP CD1 C 122.194 0.109 1 97 11 11 TRP CE3 C 118.124 0.109 1 98 11 11 TRP CZ2 C 112.143 0.109 1 99 11 11 TRP CZ3 C 119.569 0.109 1 100 11 11 TRP CH2 C 122.783 0.109 1 101 11 11 TRP N N 118.156 0.160 1 102 11 11 TRP NE1 N 127.966 0.160 1 103 12 12 LYS H H 8.624 0.006 1 104 12 12 LYS HA H 3.631 0.006 1 105 12 12 LYS HB2 H 2.049 0.006 2 106 12 12 LYS HB3 H 1.964 0.006 2 107 12 12 LYS HG2 H 1.533 0.006 2 108 12 12 LYS HG3 H 1.428 0.006 2 109 12 12 LYS HD2 H 1.835 0.006 1 110 12 12 LYS HD3 H 1.835 0.006 1 111 12 12 LYS HE2 H 3.157 0.006 1 112 12 12 LYS HE3 H 3.157 0.006 1 113 12 12 LYS CA C 56.849 0.109 1 114 12 12 LYS CB C 30.568 0.109 1 115 12 12 LYS CG C 23.402 0.109 1 116 12 12 LYS CD C 26.934 0.109 1 117 12 12 LYS CE C 39.899 0.109 1 118 12 12 LYS N N 119.554 0.160 1 119 13 13 LYS H H 7.741 0.006 1 120 13 13 LYS HA H 4.164 0.006 1 121 13 13 LYS HB2 H 1.357 0.006 2 122 13 13 LYS HB3 H 1.964 0.006 2 123 13 13 LYS HG2 H 1.711 0.006 2 124 13 13 LYS HG3 H 1.336 0.006 2 125 13 13 LYS HE2 H 2.869 0.006 1 126 13 13 LYS HE3 H 2.869 0.006 1 127 13 13 LYS CA C 56.966 0.109 1 128 13 13 LYS CB C 32.205 0.109 1 129 13 13 LYS CG C 24.059 0.109 1 130 13 13 LYS CE C 40.080 0.109 1 131 13 13 LYS N N 118.088 0.160 1 132 14 14 VAL H H 7.295 0.006 1 133 14 14 VAL HA H 3.002 0.006 1 134 14 14 VAL HB H 1.874 0.006 1 135 14 14 VAL HG1 H 0.496 0.006 2 136 14 14 VAL HG2 H 0.665 0.006 2 137 14 14 VAL CA C 64.686 0.109 1 138 14 14 VAL CB C 28.017 0.109 1 139 14 14 VAL CG1 C 19.305 0.109 2 140 14 14 VAL CG2 C 20.525 0.109 2 141 14 14 VAL N N 119.989 0.160 1 142 15 15 LYS H H 8.507 0.006 1 143 15 15 LYS HA H 3.033 0.006 1 144 15 15 LYS HB2 H 1.261 0.006 2 145 15 15 LYS HB3 H 0.302 0.006 2 146 15 15 LYS HG2 H 0.931 0.006 1 147 15 15 LYS HG3 H 0.931 0.006 1 148 15 15 LYS HD2 H 1.591 0.006 1 149 15 15 LYS HD3 H 1.591 0.006 1 150 15 15 LYS HE2 H 2.879 0.006 1 151 15 15 LYS HE3 H 2.879 0.006 1 152 15 15 LYS CA C 58.002 0.109 1 153 15 15 LYS CB C 28.111 0.109 1 154 15 15 LYS CG C 22.033 0.109 1 155 15 15 LYS CD C 26.947 0.109 1 156 15 15 LYS CE C 40.291 0.109 1 157 15 15 LYS N N 122.172 0.160 1 158 16 16 ASP H H 8.710 0.006 1 159 16 16 ASP HA H 4.112 0.006 1 160 16 16 ASP HB2 H 2.651 0.006 2 161 16 16 ASP HB3 H 2.382 0.006 2 162 16 16 ASP CA C 54.856 0.109 1 163 16 16 ASP CB C 37.017 0.109 1 164 16 16 ASP N N 117.967 0.160 1 165 17 17 SER H H 7.198 0.006 1 166 17 17 SER HB2 H 3.425 0.006 2 167 17 17 SER HB3 H 3.844 0.006 2 168 17 17 SER CB C 60.219 0.109 1 169 17 17 SER N N 114.974 0.160 1 170 18 18 LEU H H 8.117 0.006 1 171 18 18 LEU HA H 3.730 0.006 1 172 18 18 LEU HB2 H 1.951 0.006 2 173 18 18 LEU HB3 H 1.008 0.006 2 174 18 18 LEU HG H 1.707 0.006 1 175 18 18 LEU HD1 H 0.537 0.006 2 176 18 18 LEU HD2 H 0.527 0.006 2 177 18 18 LEU CA C 54.777 0.109 1 178 18 18 LEU CB C 39.812 0.109 1 179 18 18 LEU CG C 23.348 0.109 1 180 18 18 LEU CD1 C 20.780 0.109 2 181 18 18 LEU CD2 C 25.822 0.109 2 182 18 18 LEU N N 122.397 0.160 1 183 19 19 ILE H H 8.200 0.006 1 184 19 19 ILE HA H 3.825 0.006 1 185 19 19 ILE HB H 1.862 0.006 1 186 19 19 ILE HG12 H 1.585 0.006 2 187 19 19 ILE HG13 H 0.568 0.006 2 188 19 19 ILE HG2 H 0.828 0.006 1 189 19 19 ILE HD1 H 0.729 0.006 1 190 19 19 ILE CA C 62.110 0.109 1 191 19 19 ILE CB C 35.226 0.109 1 192 19 19 ILE CG1 C 26.691 0.109 1 193 19 19 ILE CG2 C 14.313 0.109 1 194 19 19 ILE CD1 C 11.999 0.109 1 195 19 19 ILE N N 123.264 0.160 1 196 20 20 ASP H H 8.155 0.006 1 197 20 20 ASP HA H 4.271 0.006 1 198 20 20 ASP HB2 H 2.425 0.006 2 199 20 20 ASP HB3 H 2.470 0.006 2 200 20 20 ASP CA C 54.865 0.109 1 201 20 20 ASP CB C 37.841 0.109 1 202 20 20 ASP N N 121.734 0.160 1 203 21 21 SER H H 7.025 0.006 1 204 21 21 SER HA H 4.236 0.006 1 205 21 21 SER HB2 H 3.692 0.006 2 206 21 21 SER HB3 H 3.973 0.006 2 207 21 21 SER CA C 55.691 0.109 1 208 21 21 SER CB C 61.433 0.109 1 209 21 21 SER N N 110.049 0.160 1 210 22 22 ASN H H 8.134 0.006 1 211 22 22 ASN HA H 4.417 0.006 1 212 22 22 ASN HB2 H 3.166 0.006 2 213 22 22 ASN HB3 H 2.601 0.006 2 214 22 22 ASN HD21 H 6.790 0.006 2 215 22 22 ASN HD22 H 7.373 0.006 2 216 22 22 ASN CA C 51.279 0.109 1 217 22 22 ASN CB C 34.896 0.109 1 218 22 22 ASN N N 117.331 0.160 1 219 22 22 ASN ND2 N 110.524 0.160 1 220 23 23 ILE H H 7.889 0.006 1 221 23 23 ILE HA H 3.722 0.006 1 222 23 23 ILE HB H 1.413 0.006 1 223 23 23 ILE HG12 H 0.792 0.006 2 224 23 23 ILE HG13 H 1.719 0.006 2 225 23 23 ILE HG2 H 0.702 0.006 1 226 23 23 ILE HD1 H 0.789 0.006 1 227 23 23 ILE CA C 60.474 0.109 1 228 23 23 ILE CB C 36.960 0.109 1 229 23 23 ILE CG1 C 26.969 0.109 1 230 23 23 ILE CG2 C 16.557 0.109 1 231 23 23 ILE CD1 C 11.646 0.109 1 232 23 23 ILE N N 112.399 0.160 1 233 24 24 ILE H H 7.077 0.006 1 234 24 24 ILE HA H 4.385 0.006 1 235 24 24 ILE HB H 2.375 0.006 1 236 24 24 ILE HG12 H 0.469 0.006 2 237 24 24 ILE HG13 H 0.917 0.006 2 238 24 24 ILE HG2 H 0.625 0.006 1 239 24 24 ILE HD1 H 0.655 0.006 1 240 24 24 ILE CA C 55.970 0.109 1 241 24 24 ILE CB C 37.747 0.109 1 242 24 24 ILE CG1 C 21.962 0.109 1 243 24 24 ILE CG2 C 16.207 0.109 1 244 24 24 ILE CD1 C 11.559 0.109 1 245 24 24 ILE N N 109.729 0.160 1 246 25 25 SER H H 11.187 0.006 1 247 25 25 SER HA H 4.603 0.006 1 248 25 25 SER HB2 H 3.766 0.006 2 249 25 25 SER HB3 H 3.522 0.006 2 250 25 25 SER CA C 57.022 0.109 1 251 25 25 SER CB C 61.689 0.109 1 252 25 25 SER N N 118.812 0.160 1 253 26 26 GLY H H 10.875 0.006 1 254 26 26 GLY HA2 H 3.954 0.006 2 255 26 26 GLY HA3 H 3.373 0.006 2 256 26 26 GLY CA C 44.140 0.109 1 257 26 26 GLY N N 116.248 0.160 1 258 27 27 ASN H H 8.144 0.006 1 259 27 27 ASN HA H 4.833 0.006 1 260 27 27 ASN HB2 H 2.928 0.006 2 261 27 27 ASN HB3 H 2.508 0.006 2 262 27 27 ASN HD21 H 7.627 0.006 2 263 27 27 ASN HD22 H 6.498 0.006 2 264 27 27 ASN CA C 48.901 0.109 1 265 27 27 ASN CB C 39.156 0.109 1 266 27 27 ASN N N 116.986 0.160 1 267 27 27 ASN ND2 N 112.611 0.160 1 268 28 28 GLU H H 9.269 0.006 1 269 28 28 GLU HA H 4.174 0.006 1 270 28 28 GLU HB2 H 1.774 0.006 2 271 28 28 GLU HB3 H 1.954 0.006 2 272 28 28 GLU HG2 H 2.028 0.006 1 273 28 28 GLU HG3 H 2.028 0.006 1 274 28 28 GLU CA C 55.451 0.109 1 275 28 28 GLU CB C 26.663 0.109 1 276 28 28 GLU CG C 32.348 0.109 1 277 28 28 GLU N N 116.450 0.160 1 278 29 29 ASN H H 8.382 0.006 1 279 29 29 ASN HA H 4.894 0.006 1 280 29 29 ASN HB2 H 3.201 0.006 2 281 29 29 ASN HB3 H 2.674 0.006 2 282 29 29 ASN HD21 H 7.563 0.006 2 283 29 29 ASN HD22 H 7.016 0.006 2 284 29 29 ASN CA C 51.197 0.109 1 285 29 29 ASN CB C 37.320 0.109 1 286 29 29 ASN N N 116.857 0.160 1 287 29 29 ASN ND2 N 113.944 0.160 1 288 30 30 GLU H H 7.667 0.006 1 289 30 30 GLU HA H 5.049 0.006 1 290 30 30 GLU HB2 H 1.476 0.006 2 291 30 30 GLU HB3 H 2.631 0.006 2 292 30 30 GLU HG2 H 1.909 0.006 2 293 30 30 GLU HG3 H 2.481 0.006 2 294 30 30 GLU CA C 51.433 0.109 1 295 30 30 GLU CB C 29.976 0.109 1 296 30 30 GLU CG C 33.075 0.109 1 297 30 30 GLU N N 119.355 0.160 1 298 31 31 GLU H H 9.203 0.006 1 299 31 31 GLU HA H 4.415 0.006 1 300 31 31 GLU HB2 H 2.016 0.006 2 301 31 31 GLU HB3 H 1.581 0.006 2 302 31 31 GLU HG2 H 1.595 0.006 2 303 31 31 GLU HG3 H 1.318 0.006 2 304 31 31 GLU CA C 53.255 0.109 1 305 31 31 GLU CB C 29.814 0.109 1 306 31 31 GLU CG C 33.533 0.109 1 307 31 31 GLU N N 124.469 0.160 1 308 32 32 ILE H H 8.696 0.006 1 309 32 32 ILE HA H 4.744 0.006 1 310 32 32 ILE HB H 2.046 0.006 1 311 32 32 ILE HG12 H 1.356 0.006 2 312 32 32 ILE HG13 H 0.814 0.006 2 313 32 32 ILE HG2 H 0.374 0.006 1 314 32 32 ILE HD1 H 0.807 0.006 1 315 32 32 ILE CA C 58.589 0.109 1 316 32 32 ILE CB C 37.928 0.109 1 317 32 32 ILE CG1 C 26.443 0.109 1 318 32 32 ILE CG2 C 16.191 0.109 1 319 32 32 ILE CD1 C 14.473 0.109 1 320 32 32 ILE N N 128.265 0.160 1 321 33 33 THR H H 9.219 0.006 1 322 33 33 THR HA H 5.202 0.006 1 323 33 33 THR HB H 3.996 0.006 1 324 33 33 THR HG2 H 1.132 0.006 1 325 33 33 THR CA C 59.443 0.109 1 326 33 33 THR CB C 67.604 0.109 1 327 33 33 THR CG2 C 18.766 0.109 1 328 33 33 THR N N 126.437 0.160 1 329 34 34 VAL H H 9.779 0.006 1 330 34 34 VAL HA H 4.533 0.006 1 331 34 34 VAL HB H 2.336 0.006 1 332 34 34 VAL HG1 H 0.914 0.006 2 333 34 34 VAL HG2 H 0.917 0.006 2 334 34 34 VAL CA C 59.198 0.109 1 335 34 34 VAL CB C 31.429 0.109 1 336 34 34 VAL CG1 C 19.461 0.109 2 337 34 34 VAL CG2 C 20.161 0.109 2 338 34 34 VAL N N 129.282 0.160 1 339 35 35 THR H H 9.647 0.006 1 340 35 35 THR HA H 5.493 0.006 1 341 35 35 THR HB H 3.998 0.006 1 342 35 35 THR HG2 H 1.086 0.006 1 343 35 35 THR CA C 59.324 0.109 1 344 35 35 THR CB C 66.657 0.109 1 345 35 35 THR CG2 C 18.817 0.109 1 346 35 35 THR N N 125.435 0.160 1 347 36 36 TYR H H 9.401 0.006 1 348 36 36 TYR HA H 5.211 0.006 1 349 36 36 TYR HB2 H 2.790 0.006 2 350 36 36 TYR HB3 H 3.558 0.006 2 351 36 36 TYR HD1 H 6.866 0.006 1 352 36 36 TYR HD2 H 6.866 0.006 1 353 36 36 TYR HE1 H 6.650 0.006 3 354 36 36 TYR HE2 H 6.650 0.006 3 355 36 36 TYR CA C 52.572 0.109 1 356 36 36 TYR CB C 39.929 0.109 1 357 36 36 TYR CD1 C 131.080 0.109 3 358 36 36 TYR CD2 C 131.083 0.109 3 359 36 36 TYR CE2 C 116.644 0.109 1 360 36 36 TYR N N 126.706 0.160 1 361 37 37 VAL H H 9.431 0.006 1 362 37 37 VAL HA H 4.524 0.006 1 363 37 37 VAL HB H 1.663 0.006 1 364 37 37 VAL HG1 H 0.766 0.006 2 365 37 37 VAL HG2 H 0.864 0.006 2 366 37 37 VAL CA C 57.845 0.109 1 367 37 37 VAL CB C 31.393 0.109 1 368 37 37 VAL CG1 C 18.894 0.109 2 369 37 37 VAL CG2 C 18.370 0.109 2 370 37 37 VAL N N 118.989 0.160 1 371 38 38 ASN H H 8.614 0.006 1 372 38 38 ASN HA H 5.151 0.006 1 373 38 38 ASN HB2 H 2.948 0.006 2 374 38 38 ASN HB3 H 3.605 0.006 2 375 38 38 ASN HD21 H 7.676 0.006 2 376 38 38 ASN HD22 H 6.472 0.006 2 377 38 38 ASN CA C 48.980 0.109 1 378 38 38 ASN CB C 38.115 0.109 1 379 38 38 ASN N N 126.664 0.160 1 380 38 38 ASN ND2 N 111.567 0.160 1 381 39 39 LYS H H 8.281 0.006 1 382 39 39 LYS HA H 3.906 0.006 1 383 39 39 LYS HB2 H 1.768 0.006 2 384 39 39 LYS HB3 H 1.880 0.006 2 385 39 39 LYS HG2 H 1.392 0.006 2 386 39 39 LYS HG3 H 1.297 0.006 2 387 39 39 LYS HD2 H 1.644 0.006 1 388 39 39 LYS HD3 H 1.644 0.006 1 389 39 39 LYS HE2 H 2.939 0.006 1 390 39 39 LYS HE3 H 2.939 0.006 1 391 39 39 LYS CA C 56.610 0.109 1 392 39 39 LYS CB C 30.455 0.109 1 393 39 39 LYS CG C 23.204 0.109 1 394 39 39 LYS CD C 26.586 0.109 1 395 39 39 LYS CE C 39.628 0.109 1 396 39 39 LYS N N 117.444 0.160 1 397 40 40 THR H H 7.764 0.006 1 398 40 40 THR HA H 4.312 0.006 1 399 40 40 THR HB H 4.389 0.006 1 400 40 40 THR HG2 H 1.180 0.006 1 401 40 40 THR CA C 59.241 0.109 1 402 40 40 THR CB C 66.252 0.109 1 403 40 40 THR CG2 C 20.377 0.109 1 404 40 40 THR N N 109.379 0.160 1 405 41 41 GLY H H 7.883 0.006 1 406 41 41 GLY HA2 H 3.376 0.006 2 407 41 41 GLY HA3 H 4.085 0.006 2 408 41 41 GLY CA C 42.771 0.109 1 409 41 41 GLY N N 107.419 0.160 1 410 42 42 TYR H H 7.740 0.006 1 411 42 42 TYR HA H 4.609 0.006 1 412 42 42 TYR HB2 H 2.987 0.006 2 413 42 42 TYR HB3 H 2.734 0.006 2 414 42 42 TYR HD1 H 7.072 0.006 1 415 42 42 TYR HD2 H 7.072 0.006 1 416 42 42 TYR HE1 H 6.741 0.006 3 417 42 42 TYR HE2 H 6.741 0.006 3 418 42 42 TYR CA C 54.286 0.109 1 419 42 42 TYR CB C 37.158 0.109 1 420 42 42 TYR CD1 C 130.558 0.109 3 421 42 42 TYR CE1 C 115.452 0.109 3 422 42 42 TYR N N 121.005 0.160 1 423 43 43 SER H H 8.518 0.006 1 424 43 43 SER HA H 5.022 0.006 1 425 43 43 SER HB2 H 3.538 0.006 2 426 43 43 SER HB3 H 3.597 0.006 2 427 43 43 SER CA C 55.188 0.109 1 428 43 43 SER CB C 61.513 0.109 1 429 43 43 SER N N 118.187 0.160 1 430 44 44 SER H H 8.671 0.006 1 431 44 44 SER HA H 4.500 0.006 1 432 44 44 SER HB2 H 3.288 0.006 2 433 44 44 SER HB3 H 3.248 0.006 2 434 44 44 SER CA C 54.727 0.109 1 435 44 44 SER CB C 63.283 0.109 1 436 44 44 SER N N 120.371 0.160 1 437 45 45 SER H H 8.233 0.006 1 438 45 45 SER HA H 5.986 0.006 1 439 45 45 SER HB2 H 3.479 0.006 2 440 45 45 SER HB3 H 3.626 0.006 2 441 45 45 SER CA C 54.430 0.109 1 442 45 45 SER CB C 63.829 0.109 1 443 45 45 SER N N 114.747 0.160 1 444 46 46 VAL H H 9.189 0.006 1 445 46 46 VAL HA H 4.590 0.006 1 446 46 46 VAL HB H 2.256 0.006 1 447 46 46 VAL HG1 H 1.160 0.006 2 448 46 46 VAL HG2 H 1.268 0.006 2 449 46 46 VAL CA C 57.956 0.109 1 450 46 46 VAL CB C 32.329 0.109 1 451 46 46 VAL CG1 C 19.182 0.109 2 452 46 46 VAL CG2 C 17.620 0.109 2 453 46 46 VAL N N 122.347 0.160 1 454 47 47 SER H H 8.589 0.006 1 455 47 47 SER HA H 5.676 0.006 1 456 47 47 SER HB2 H 3.529 0.006 2 457 47 47 SER HB3 H 3.432 0.006 2 458 47 47 SER CA C 54.005 0.109 1 459 47 47 SER CB C 63.434 0.109 1 460 47 47 SER N N 123.253 0.160 1 461 48 48 ALA H H 7.820 0.006 1 462 48 48 ALA HA H 3.726 0.006 1 463 48 48 ALA HB H -0.534 0.006 1 464 48 48 ALA CA C 48.680 0.109 1 465 48 48 ALA CB C 16.298 0.109 1 466 48 48 ALA N N 122.553 0.160 1 467 49 49 TYR H H 8.029 0.006 1 468 49 49 TYR HA H 5.494 0.006 1 469 49 49 TYR HB2 H 3.189 0.006 2 470 49 49 TYR HB3 H 2.821 0.006 2 471 49 49 TYR HD1 H 7.048 0.006 1 472 49 49 TYR HD2 H 7.048 0.006 1 473 49 49 TYR HE1 H 6.693 0.006 1 474 49 49 TYR HE2 H 6.693 0.006 1 475 49 49 TYR CA C 55.199 0.109 1 476 49 49 TYR CB C 37.274 0.109 1 477 49 49 TYR CD1 C 130.445 0.109 3 478 49 49 TYR CE1 C 115.235 0.109 3 479 49 49 TYR N N 117.762 0.160 1 480 50 50 GLY H H 9.324 0.006 1 481 50 50 GLY HA2 H 4.124 0.006 2 482 50 50 GLY HA3 H 3.775 0.006 2 483 50 50 GLY CA C 45.670 0.109 1 484 50 50 GLY N N 106.431 0.160 1 485 51 51 ASN H H 8.115 0.006 1 486 51 51 ASN HA H 4.532 0.006 1 487 51 51 ASN HB2 H 2.320 0.006 2 488 51 51 ASN HB3 H 3.026 0.006 2 489 51 51 ASN HD21 H 7.601 0.006 2 490 51 51 ASN HD22 H 6.708 0.006 2 491 51 51 ASN CA C 50.549 0.109 1 492 51 51 ASN CB C 35.013 0.109 1 493 51 51 ASN N N 111.972 0.160 1 494 51 51 ASN ND2 N 113.718 0.160 1 495 52 52 ASN H H 8.107 0.006 1 496 52 52 ASN HA H 4.425 0.006 1 497 52 52 ASN HB2 H 2.552 0.006 1 498 52 52 ASN HB3 H 2.552 0.006 1 499 52 52 ASN HD21 H 7.246 0.006 2 500 52 52 ASN HD22 H 6.830 0.006 2 501 52 52 ASN CA C 52.471 0.109 1 502 52 52 ASN CB C 37.599 0.109 1 503 52 52 ASN N N 120.286 0.160 1 504 52 52 ASN ND2 N 113.044 0.160 1 505 53 53 ASN H H 8.986 0.006 1 506 53 53 ASN HA H 5.028 0.006 1 507 53 53 ASN HB2 H 2.922 0.006 2 508 53 53 ASN HB3 H 2.833 0.006 2 509 53 53 ASN HD21 H 7.688 0.006 2 510 53 53 ASN HD22 H 6.931 0.006 2 511 53 53 ASN CA C 49.870 0.109 1 512 53 53 ASN CB C 37.241 0.109 1 513 53 53 ASN N N 120.472 0.160 1 514 53 53 ASN ND2 N 114.568 0.160 1 515 54 54 ASP H H 8.428 0.006 1 516 54 54 ASP HA H 4.552 0.006 1 517 54 54 ASP HB2 H 2.534 0.006 2 518 54 54 ASP HB3 H 2.383 0.006 2 519 54 54 ASP CA C 50.983 0.109 1 520 54 54 ASP CB C 38.996 0.109 1 521 54 54 ASP N N 113.816 0.160 1 522 55 55 ASP H H 8.336 0.006 1 523 55 55 ASP HA H 4.175 0.006 1 524 55 55 ASP HB2 H 2.596 0.006 1 525 55 55 ASP HB3 H 2.596 0.006 1 526 55 55 ASP CA C 52.174 0.109 1 527 55 55 ASP CB C 37.822 0.109 1 528 55 55 ASP N N 117.155 0.160 1 529 56 56 PHE H H 6.928 0.006 1 530 56 56 PHE HA H 4.401 0.006 1 531 56 56 PHE HB2 H 2.766 0.006 2 532 56 56 PHE HB3 H 3.146 0.006 2 533 56 56 PHE HD1 H 6.991 0.006 1 534 56 56 PHE HD2 H 6.991 0.006 1 535 56 56 PHE HZ H 6.260 0.006 1 536 56 56 PHE CA C 55.241 0.109 1 537 56 56 PHE CB C 36.182 0.109 1 538 56 56 PHE CD1 C 128.331 0.109 3 539 56 56 PHE CD2 C 128.343 0.109 3 540 56 56 PHE N N 115.697 0.160 1 541 57 57 SER HA H 4.500 0.006 1 542 57 57 SER HB2 H 3.603 0.006 2 543 57 57 SER HB3 H 2.664 0.006 2 544 57 57 SER CA C 54.839 0.109 1 545 57 57 SER CB C 60.443 0.109 1 546 58 58 SER HA H 4.484 0.006 1 547 58 58 SER HB2 H 3.267 0.006 2 548 58 58 SER HB3 H 2.911 0.006 2 549 58 58 SER CA C 54.595 0.109 1 550 58 58 SER CB C 63.332 0.109 1 551 59 59 THR H H 7.665 0.006 1 552 59 59 THR HA H 4.296 0.006 1 553 59 59 THR HB H 3.910 0.006 1 554 59 59 THR HG2 H 1.208 0.006 1 555 59 59 THR CA C 58.078 0.109 1 556 59 59 THR CB C 67.263 0.109 1 557 59 59 THR CG2 C 19.257 0.109 1 558 59 59 THR N N 119.160 0.160 1 559 60 60 PRO HA H 4.148 0.006 1 560 60 60 PRO HB2 H 2.258 0.006 2 561 60 60 PRO HB3 H 1.815 0.006 2 562 60 60 PRO HG2 H 1.943 0.006 2 563 60 60 PRO HG3 H 2.115 0.006 2 564 60 60 PRO HD2 H 3.968 0.006 2 565 60 60 PRO HD3 H 3.639 0.006 2 566 60 60 PRO CA C 61.374 0.109 1 567 60 60 PRO CB C 29.738 0.109 1 568 60 60 PRO CG C 25.449 0.109 1 569 60 60 PRO CD C 48.492 0.109 1 570 61 61 SER H H 8.642 0.006 1 571 61 61 SER HA H 4.450 0.006 1 572 61 61 SER HB2 H 3.433 0.006 2 573 61 61 SER HB3 H 3.478 0.006 2 574 61 61 SER CA C 57.627 0.109 1 575 61 61 SER CB C 62.178 0.109 1 576 61 61 SER N N 119.111 0.160 1 577 62 62 ASN H H 8.998 0.006 1 578 62 62 ASN HA H 4.393 0.006 1 579 62 62 ASN HB2 H 2.934 0.006 1 580 62 62 ASN HB3 H 2.934 0.006 1 581 62 62 ASN HD21 H 7.715 0.006 2 582 62 62 ASN HD22 H 6.959 0.006 2 583 62 62 ASN CA C 51.623 0.109 1 584 62 62 ASN CB C 35.849 0.109 1 585 62 62 ASN N N 119.467 0.160 1 586 62 62 ASN ND2 N 114.443 0.160 1 587 63 63 PHE H H 7.615 0.006 1 588 63 63 PHE HA H 3.696 0.006 1 589 63 63 PHE HB2 H 2.800 0.006 2 590 63 63 PHE HB3 H 2.535 0.006 2 591 63 63 PHE HD1 H 6.687 0.006 3 592 63 63 PHE HD2 H 6.687 0.006 3 593 63 63 PHE HE1 H 6.900 0.006 3 594 63 63 PHE HE2 H 6.900 0.006 3 595 63 63 PHE CA C 58.891 0.109 1 596 63 63 PHE CB C 38.136 0.109 1 597 63 63 PHE CD1 C 129.220 0.109 3 598 63 63 PHE CD2 C 129.220 0.109 3 599 63 63 PHE CE1 C 128.930 0.109 3 600 63 63 PHE CE2 C 128.929 0.109 3 601 63 63 PHE N N 116.766 0.160 1 602 64 64 SER H H 7.550 0.006 1 603 64 64 SER HA H 4.252 0.006 1 604 64 64 SER HB2 H 3.334 0.006 2 605 64 64 SER HB3 H 3.072 0.006 2 606 64 64 SER CA C 56.211 0.109 1 607 64 64 SER CB C 62.076 0.109 1 608 64 64 SER N N 119.066 0.160 1 609 65 65 LYS H H 7.317 0.006 1 610 65 65 LYS HA H 4.260 0.006 1 611 65 65 LYS HB2 H 1.441 0.006 2 612 65 65 LYS HB3 H 1.608 0.006 2 613 65 65 LYS HG2 H 1.278 0.006 2 614 65 65 LYS HG3 H 1.177 0.006 2 615 65 65 LYS HD2 H 1.496 0.006 1 616 65 65 LYS HD3 H 1.496 0.006 1 617 65 65 LYS HE2 H 2.817 0.006 1 618 65 65 LYS HE3 H 2.817 0.006 1 619 65 65 LYS CA C 53.013 0.109 1 620 65 65 LYS CB C 33.578 0.109 1 621 65 65 LYS CG C 21.513 0.109 1 622 65 65 LYS CD C 26.767 0.109 1 623 65 65 LYS CE C 39.541 0.109 1 624 65 65 LYS N N 114.383 0.160 1 625 66 66 LEU H H 9.604 0.006 1 626 66 66 LEU HA H 4.369 0.006 1 627 66 66 LEU HB2 H 1.510 0.006 2 628 66 66 LEU HB3 H 1.884 0.006 2 629 66 66 LEU HG H 1.981 0.006 1 630 66 66 LEU HD1 H 0.808 0.006 2 631 66 66 LEU HD2 H 0.804 0.006 2 632 66 66 LEU CA C 52.774 0.109 1 633 66 66 LEU CB C 42.379 0.109 1 634 66 66 LEU CG C 24.608 0.109 1 635 66 66 LEU CD1 C 22.495 0.109 2 636 66 66 LEU CD2 C 23.479 0.109 2 637 66 66 LEU N N 125.243 0.160 1 638 67 67 LYS H H 8.270 0.006 1 639 67 67 LYS HA H 5.128 0.006 1 640 67 67 LYS HB2 H 1.426 0.006 2 641 67 67 LYS HB3 H 1.693 0.006 2 642 67 67 LYS HG2 H 1.453 0.006 2 643 67 67 LYS HG3 H 1.314 0.006 2 644 67 67 LYS HD2 H 1.638 0.006 2 645 67 67 LYS HD3 H 1.549 0.006 2 646 67 67 LYS HE2 H 2.810 0.006 2 647 67 67 LYS HE3 H 2.936 0.006 2 648 67 67 LYS CA C 54.300 0.109 1 649 67 67 LYS CB C 33.546 0.109 1 650 67 67 LYS CG C 22.239 0.109 1 651 67 67 LYS CD C 26.520 0.109 1 652 67 67 LYS CE C 39.527 0.109 1 653 67 67 LYS N N 117.257 0.160 1 654 68 68 GLU H H 8.360 0.006 1 655 68 68 GLU HA H 5.112 0.006 1 656 68 68 GLU HB2 H 2.157 0.006 2 657 68 68 GLU HB3 H 1.868 0.006 2 658 68 68 GLU HG2 H 1.680 0.006 2 659 68 68 GLU HG3 H 2.161 0.006 2 660 68 68 GLU CA C 53.424 0.109 1 661 68 68 GLU CB C 30.675 0.109 1 662 68 68 GLU CG C 33.076 0.109 1 663 68 68 GLU N N 117.763 0.160 1 664 69 69 ILE H H 9.353 0.006 1 665 69 69 ILE HA H 4.972 0.006 1 666 69 69 ILE HB H 1.681 0.006 1 667 69 69 ILE HG12 H 1.528 0.006 2 668 69 69 ILE HG13 H 0.883 0.006 2 669 69 69 ILE HG2 H 0.644 0.006 1 670 69 69 ILE HD1 H 0.656 0.006 1 671 69 69 ILE CA C 57.158 0.109 1 672 69 69 ILE CB C 38.706 0.109 1 673 69 69 ILE CG1 C 24.773 0.109 1 674 69 69 ILE CG2 C 15.786 0.109 1 675 69 69 ILE CD1 C 12.140 0.109 1 676 69 69 ILE N N 124.236 0.160 1 677 70 70 ASP H H 9.300 0.006 1 678 70 70 ASP HA H 5.375 0.006 1 679 70 70 ASP HB2 H 2.798 0.006 2 680 70 70 ASP HB3 H 2.393 0.006 2 681 70 70 ASP CA C 50.576 0.109 1 682 70 70 ASP CB C 41.374 0.109 1 683 70 70 ASP N N 125.719 0.160 1 684 71 71 LEU H H 8.336 0.006 1 685 71 71 LEU HA H 5.225 0.006 1 686 71 71 LEU HB2 H 1.965 0.006 2 687 71 71 LEU HB3 H 0.997 0.006 2 688 71 71 LEU HG H 1.309 0.006 1 689 71 71 LEU HD1 H 0.583 0.006 2 690 71 71 LEU HD2 H 0.661 0.006 2 691 71 71 LEU CA C 50.403 0.109 1 692 71 71 LEU CB C 41.652 0.109 1 693 71 71 LEU CG C 24.781 0.109 1 694 71 71 LEU CD1 C 23.526 0.109 2 695 71 71 LEU CD2 C 24.439 0.109 2 696 71 71 LEU N N 122.029 0.160 1 697 72 72 LYS H H 8.686 0.006 1 698 72 72 LYS HA H 4.642 0.006 1 699 72 72 LYS HB2 H 1.899 0.006 2 700 72 72 LYS HB3 H 1.691 0.006 2 701 72 72 LYS HG2 H 1.326 0.006 2 702 72 72 LYS HG3 H 1.416 0.006 2 703 72 72 LYS HD2 H 1.641 0.006 1 704 72 72 LYS HD3 H 1.641 0.006 1 705 72 72 LYS HE2 H 2.940 0.006 1 706 72 72 LYS HE3 H 2.940 0.006 1 707 72 72 LYS CA C 53.096 0.109 1 708 72 72 LYS CB C 32.066 0.109 1 709 72 72 LYS CG C 22.380 0.109 1 710 72 72 LYS CD C 26.510 0.109 1 711 72 72 LYS CE C 39.585 0.109 1 712 72 72 LYS N N 124.916 0.160 1 713 73 73 LYS H H 8.975 0.006 1 714 73 73 LYS HA H 4.937 0.006 1 715 73 73 LYS HB2 H 1.723 0.006 1 716 73 73 LYS HB3 H 1.723 0.006 1 717 73 73 LYS HG2 H 1.259 0.006 2 718 73 73 LYS HG3 H 1.285 0.006 2 719 73 73 LYS HD2 H 1.661 0.006 2 720 73 73 LYS HD3 H 1.784 0.006 2 721 73 73 LYS HE2 H 2.887 0.006 2 722 73 73 LYS HE3 H 2.937 0.006 2 723 73 73 LYS CA C 52.598 0.109 1 724 73 73 LYS CB C 31.925 0.109 1 725 73 73 LYS CG C 23.002 0.109 1 726 73 73 LYS CD C 28.185 0.109 1 727 73 73 LYS CE C 39.768 0.109 1 728 73 73 LYS N N 126.963 0.160 1 729 74 74 ASP H H 8.217 0.006 1 730 74 74 ASP HA H 4.718 0.006 1 731 74 74 ASP HB2 H 2.580 0.006 2 732 74 74 ASP HB3 H 2.656 0.006 2 733 74 74 ASP CA C 51.463 0.109 1 734 74 74 ASP CB C 40.176 0.109 1 735 74 74 ASP N N 122.341 0.160 1 736 75 75 ASN H H 8.617 0.006 1 737 75 75 ASN HA H 4.478 0.006 1 738 75 75 ASN HB2 H 2.699 0.006 2 739 75 75 ASN HB3 H 2.538 0.006 2 740 75 75 ASN HD21 H 6.755 0.006 2 741 75 75 ASN HD22 H 7.299 0.006 2 742 75 75 ASN CA C 50.665 0.109 1 743 75 75 ASN CB C 36.088 0.109 1 744 75 75 ASN N N 117.369 0.160 1 745 75 75 ASN ND2 N 112.907 0.160 1 746 76 76 VAL H H 8.125 0.006 1 747 76 76 VAL HA H 4.161 0.006 1 748 76 76 VAL HB H 2.010 0.006 1 749 76 76 VAL HG1 H 0.812 0.006 2 750 76 76 VAL HG2 H 0.946 0.006 2 751 76 76 VAL CA C 57.853 0.109 1 752 76 76 VAL CB C 30.318 0.109 1 753 76 76 VAL CG1 C 18.775 0.109 2 754 76 76 VAL CG2 C 18.688 0.109 2 755 76 76 VAL N N 121.104 0.160 1 756 77 77 PRO HA H 4.282 0.006 1 757 77 77 PRO HB2 H 2.231 0.006 2 758 77 77 PRO HB3 H 1.889 0.006 2 759 77 77 PRO HG2 H 1.882 0.006 2 760 77 77 PRO HG3 H 1.944 0.006 2 761 77 77 PRO HD2 H 3.642 0.006 2 762 77 77 PRO HD3 H 3.833 0.006 2 763 77 77 PRO CA C 60.503 0.109 1 764 77 77 PRO CB C 29.918 0.109 1 765 77 77 PRO CG C 25.284 0.109 1 766 77 77 PRO CD C 48.487 0.109 1 767 78 78 SER H H 8.462 0.006 1 768 78 78 SER HA H 3.920 0.006 1 769 78 78 SER HB2 H 3.785 0.006 1 770 78 78 SER HB3 H 3.785 0.006 1 771 78 78 SER CA C 58.398 0.109 1 772 78 78 SER CB C 60.479 0.109 1 773 78 78 SER N N 117.373 0.160 1 774 79 79 ASP H H 8.520 0.006 1 775 79 79 ASP HA H 4.400 0.006 1 776 79 79 ASP HB2 H 2.600 0.006 1 777 79 79 ASP HB3 H 2.600 0.006 1 778 79 79 ASP CA C 53.066 0.109 1 779 79 79 ASP CB C 37.633 0.109 1 780 79 79 ASP N N 118.862 0.160 1 781 80 80 ASP H H 7.809 0.006 1 782 80 80 ASP HA H 4.952 0.006 1 783 80 80 ASP HB2 H 2.386 0.006 2 784 80 80 ASP HB3 H 2.333 0.006 2 785 80 80 ASP CA C 50.082 0.109 1 786 80 80 ASP CB C 41.399 0.109 1 787 80 80 ASP N N 118.377 0.160 1 788 81 81 PHE H H 7.512 0.006 1 789 81 81 PHE HA H 3.849 0.006 1 790 81 81 PHE HB2 H 3.166 0.006 2 791 81 81 PHE HB3 H 2.880 0.006 2 792 81 81 PHE HD1 H 6.993 0.006 3 793 81 81 PHE HD2 H 6.993 0.006 3 794 81 81 PHE HE1 H 7.221 0.006 3 795 81 81 PHE HE2 H 7.221 0.006 3 796 81 81 PHE CA C 59.375 0.109 1 797 81 81 PHE CB C 38.052 0.109 1 798 81 81 PHE CD1 C 128.653 0.109 3 799 81 81 PHE CD2 C 128.653 0.109 3 800 81 81 PHE CE1 C 128.587 0.109 3 801 81 81 PHE CE2 C 128.590 0.109 3 802 81 81 PHE N N 121.678 0.160 1 803 82 82 ASN H H 8.900 0.006 1 804 82 82 ASN HA H 4.655 0.006 1 805 82 82 ASN HB2 H 2.944 0.006 2 806 82 82 ASN HB3 H 2.644 0.006 2 807 82 82 ASN HD21 H 7.683 0.006 2 808 82 82 ASN HD22 H 7.117 0.006 2 809 82 82 ASN CA C 50.139 0.109 1 810 82 82 ASN CB C 36.563 0.109 1 811 82 82 ASN N N 115.660 0.160 1 812 82 82 ASN ND2 N 114.697 0.160 1 813 83 83 THR H H 7.241 0.006 1 814 83 83 THR HA H 3.964 0.006 1 815 83 83 THR HB H 3.812 0.006 1 816 83 83 THR HG2 H 1.132 0.006 1 817 83 83 THR CA C 61.533 0.109 1 818 83 83 THR CB C 66.506 0.109 1 819 83 83 THR CG2 C 20.774 0.109 1 820 83 83 THR N N 117.361 0.160 1 821 84 84 THR H H 8.818 0.006 1 822 84 84 THR HA H 5.247 0.006 1 823 84 84 THR HB H 3.983 0.006 1 824 84 84 THR HG2 H 1.072 0.006 1 825 84 84 THR CA C 56.909 0.109 1 826 84 84 THR CB C 68.927 0.109 1 827 84 84 THR CG2 C 19.071 0.109 1 828 84 84 THR N N 121.395 0.160 1 829 85 85 VAL H H 8.996 0.006 1 830 85 85 VAL HA H 4.535 0.006 1 831 85 85 VAL HB H 2.041 0.006 1 832 85 85 VAL HG1 H 0.823 0.006 2 833 85 85 VAL HG2 H 0.924 0.006 2 834 85 85 VAL CA C 56.565 0.109 1 835 85 85 VAL CB C 33.394 0.109 1 836 85 85 VAL CG1 C 17.951 0.109 2 837 85 85 VAL CG2 C 19.338 0.109 2 838 85 85 VAL N N 115.355 0.160 1 839 86 86 SER H H 8.752 0.006 1 840 86 86 SER HA H 4.479 0.006 1 841 86 86 SER HB2 H 4.058 0.006 2 842 86 86 SER HB3 H 3.877 0.006 2 843 86 86 SER CA C 54.505 0.109 1 844 86 86 SER CB C 60.395 0.109 1 845 86 86 SER N N 118.682 0.160 1 846 87 87 GLY H H 8.643 0.006 1 847 87 87 GLY HA2 H 3.350 0.006 2 848 87 87 GLY HA3 H 2.957 0.006 2 849 87 87 GLY CA C 46.114 0.109 1 850 87 87 GLY N N 119.598 0.160 1 851 88 88 GLU H H 8.824 0.006 1 852 88 88 GLU HA H 3.909 0.006 1 853 88 88 GLU HB2 H 1.931 0.006 2 854 88 88 GLU HB3 H 1.882 0.006 2 855 88 88 GLU HG2 H 2.170 0.006 2 856 88 88 GLU HG3 H 2.281 0.006 2 857 88 88 GLU CA C 57.773 0.109 1 858 88 88 GLU CB C 27.154 0.109 1 859 88 88 GLU CG C 34.047 0.109 1 860 88 88 GLU N N 120.994 0.160 1 861 89 89 ASP H H 7.827 0.006 1 862 89 89 ASP HA H 4.430 0.006 1 863 89 89 ASP HB2 H 2.587 0.006 2 864 89 89 ASP HB3 H 2.757 0.006 2 865 89 89 ASP CA C 55.065 0.109 1 866 89 89 ASP CB C 37.890 0.109 1 867 89 89 ASP N N 119.183 0.160 1 868 90 90 SER H H 8.355 0.006 1 869 90 90 SER HA H 3.897 0.006 1 870 90 90 SER HB2 H 4.160 0.006 1 871 90 90 SER HB3 H 4.160 0.006 1 872 90 90 SER CA C 60.623 0.109 1 873 90 90 SER CB C 60.804 0.109 1 874 90 90 SER N N 115.887 0.160 1 875 91 91 TRP H H 8.379 0.006 1 876 91 91 TRP HA H 3.818 0.006 1 877 91 91 TRP HB2 H 3.164 0.006 1 878 91 91 TRP HB3 H 3.488 0.006 1 879 91 91 TRP HD1 H 6.641 0.006 1 880 91 91 TRP HE1 H 9.759 0.006 1 881 91 91 TRP HE3 H 7.280 0.006 1 882 91 91 TRP HZ2 H 6.859 0.006 1 883 91 91 TRP HZ3 H 7.085 0.006 1 884 91 91 TRP HH2 H 7.208 0.006 1 885 91 91 TRP CA C 60.883 0.109 1 886 91 91 TRP CB C 27.534 0.109 1 887 91 91 TRP CD1 C 121.478 0.109 1 888 91 91 TRP CE3 C 117.548 0.109 1 889 91 91 TRP CZ2 C 110.014 0.109 1 890 91 91 TRP CZ3 C 119.445 0.109 1 891 91 91 TRP CH2 C 123.193 0.109 1 892 91 91 TRP N N 122.138 0.160 1 893 91 91 TRP NE1 N 127.805 0.160 1 894 92 92 LYS H H 8.882 0.006 1 895 92 92 LYS HA H 3.573 0.006 1 896 92 92 LYS HB2 H 2.160 0.006 2 897 92 92 LYS HB3 H 1.997 0.006 2 898 92 92 LYS HG2 H 1.685 0.006 2 899 92 92 LYS HG3 H 1.960 0.006 2 900 92 92 LYS HD2 H 1.548 0.006 2 901 92 92 LYS HD3 H 1.793 0.006 2 902 92 92 LYS HE2 H 3.028 0.006 2 903 92 92 LYS HE3 H 2.937 0.006 2 904 92 92 LYS CA C 57.944 0.109 1 905 92 92 LYS CB C 29.943 0.109 1 906 92 92 LYS CG C 23.550 0.109 1 907 92 92 LYS CD C 27.060 0.109 1 908 92 92 LYS CE C 39.799 0.109 1 909 92 92 LYS N N 122.547 0.160 1 910 93 93 THR H H 8.289 0.006 1 911 93 93 THR HA H 3.781 0.006 1 912 93 93 THR HB H 3.908 0.006 1 913 93 93 THR HG2 H 1.020 0.006 1 914 93 93 THR CA C 64.086 0.109 1 915 93 93 THR CB C 65.694 0.109 1 916 93 93 THR CG2 C 19.423 0.109 1 917 93 93 THR N N 117.273 0.160 1 918 94 94 LEU H H 8.791 0.006 1 919 94 94 LEU HA H 3.635 0.006 1 920 94 94 LEU HB2 H 1.654 0.006 2 921 94 94 LEU HB3 H 1.569 0.006 2 922 94 94 LEU HG H 1.093 0.006 1 923 94 94 LEU HD1 H 0.574 0.006 2 924 94 94 LEU HD2 H 0.526 0.006 2 925 94 94 LEU CA C 56.562 0.109 1 926 94 94 LEU CB C 39.267 0.109 1 927 94 94 LEU CG C 24.478 0.109 1 928 94 94 LEU CD1 C 24.539 0.109 2 929 94 94 LEU CD2 C 20.846 0.109 2 930 94 94 LEU N N 122.223 0.160 1 931 95 95 THR H H 7.992 0.006 1 932 95 95 THR HA H 3.254 0.006 1 933 95 95 THR HB H 3.431 0.006 1 934 95 95 THR HG2 H 0.139 0.006 1 935 95 95 THR CA C 63.508 0.109 1 936 95 95 THR CB C 65.519 0.109 1 937 95 95 THR CG2 C 18.909 0.109 1 938 95 95 THR N N 106.536 0.160 1 939 96 96 SER H H 7.331 0.006 1 940 96 96 SER HA H 4.040 0.006 1 941 96 96 SER HB2 H 3.961 0.006 2 942 96 96 SER HB3 H 3.894 0.006 2 943 96 96 SER CA C 59.496 0.109 1 944 96 96 SER CB C 60.191 0.109 1 945 96 96 SER N N 116.754 0.160 1 946 97 97 LYS H H 8.463 0.006 1 947 97 97 LYS HA H 4.021 0.006 1 948 97 97 LYS HB2 H 1.581 0.006 2 949 97 97 LYS HB3 H 2.012 0.006 2 950 97 97 LYS HG2 H 1.462 0.006 1 951 97 97 LYS HG3 H 1.462 0.006 1 952 97 97 LYS HD2 H 1.495 0.006 1 953 97 97 LYS HD3 H 1.495 0.006 1 954 97 97 LYS HE2 H 2.854 0.006 1 955 97 97 LYS HE3 H 2.854 0.006 1 956 97 97 LYS CA C 54.942 0.109 1 957 97 97 LYS CB C 28.625 0.109 1 958 97 97 LYS CG C 25.263 0.109 1 959 97 97 LYS CD C 26.972 0.109 1 960 97 97 LYS CE C 39.721 0.109 1 961 97 97 LYS N N 122.289 0.160 1 962 98 98 LEU H H 8.547 0.006 1 963 98 98 LEU HA H 3.721 0.006 1 964 98 98 LEU HB2 H 1.652 0.006 2 965 98 98 LEU HB3 H 0.998 0.006 2 966 98 98 LEU HG H 1.803 0.006 1 967 98 98 LEU HD1 H 0.581 0.006 2 968 98 98 LEU HD2 H 0.370 0.006 2 969 98 98 LEU CA C 55.219 0.109 1 970 98 98 LEU CB C 40.018 0.109 1 971 98 98 LEU CG C 23.984 0.109 1 972 98 98 LEU CD1 C 19.960 0.109 2 973 98 98 LEU CD2 C 22.850 0.109 2 974 98 98 LEU N N 116.965 0.160 1 975 99 99 LYS H H 7.901 0.006 1 976 99 99 LYS HA H 4.042 0.006 1 977 99 99 LYS HB2 H 1.450 0.006 2 978 99 99 LYS HB3 H 1.858 0.006 2 979 99 99 LYS HG2 H 1.587 0.006 1 980 99 99 LYS HG3 H 1.587 0.006 1 981 99 99 LYS HD2 H 1.497 0.006 2 982 99 99 LYS HD3 H 1.388 0.006 2 983 99 99 LYS HE2 H 2.816 0.006 1 984 99 99 LYS HE3 H 2.816 0.006 1 985 99 99 LYS CA C 57.023 0.109 1 986 99 99 LYS CB C 29.956 0.109 1 987 99 99 LYS CG C 25.263 0.109 1 988 99 99 LYS CD C 26.924 0.109 1 989 99 99 LYS CE C 39.494 0.109 1 990 99 99 LYS N N 120.867 0.160 1 991 100 100 GLU H H 8.345 0.006 1 992 100 100 GLU HA H 3.959 0.006 1 993 100 100 GLU HB2 H 2.195 0.006 2 994 100 100 GLU HB3 H 2.131 0.006 2 995 100 100 GLU HG2 H 2.199 0.006 2 996 100 100 GLU HG3 H 2.301 0.006 2 997 100 100 GLU CA C 56.562 0.109 1 998 100 100 GLU CB C 27.364 0.109 1 999 100 100 GLU CG C 33.700 0.109 1 1000 100 100 GLU N N 123.302 0.160 1 1001 101 101 LYS H H 7.497 0.006 1 1002 101 101 LYS HA H 4.218 0.006 1 1003 101 101 LYS HB2 H 1.813 0.006 2 1004 101 101 LYS HB3 H 1.443 0.006 2 1005 101 101 LYS HG2 H 1.520 0.006 1 1006 101 101 LYS HG3 H 1.520 0.006 1 1007 101 101 LYS HD2 H 1.214 0.006 1 1008 101 101 LYS HD3 H 1.214 0.006 1 1009 101 101 LYS HE2 H 2.653 0.006 2 1010 101 101 LYS HE3 H 2.881 0.006 2 1011 101 101 LYS CA C 53.497 0.109 1 1012 101 101 LYS CB C 31.500 0.109 1 1013 101 101 LYS CG C 23.701 0.109 1 1014 101 101 LYS CD C 27.209 0.109 1 1015 101 101 LYS CE C 40.602 0.109 1 1016 101 101 LYS N N 114.874 0.160 1 1017 102 102 GLY H H 7.855 0.006 1 1018 102 102 GLY HA2 H 4.004 0.006 2 1019 102 102 GLY HA3 H 3.899 0.006 2 1020 102 102 GLY CA C 43.486 0.109 1 1021 102 102 GLY N N 107.039 0.160 1 1022 103 103 LEU H H 8.199 0.006 1 1023 103 103 LEU HA H 4.356 0.006 1 1024 103 103 LEU HB2 H 1.299 0.006 2 1025 103 103 LEU HB3 H 1.522 0.006 2 1026 103 103 LEU HG H 1.162 0.006 1 1027 103 103 LEU HD1 H -0.117 0.006 2 1028 103 103 LEU HD2 H 0.483 0.006 2 1029 103 103 LEU CA C 52.399 0.109 1 1030 103 103 LEU CB C 41.189 0.109 1 1031 103 103 LEU CG C 24.265 0.109 1 1032 103 103 LEU CD1 C 20.426 0.109 2 1033 103 103 LEU CD2 C 24.856 0.109 2 1034 103 103 LEU N N 116.351 0.160 1 1035 104 104 VAL H H 6.900 0.006 1 1036 104 104 VAL HA H 4.820 0.006 1 1037 104 104 VAL HB H 2.062 0.006 1 1038 104 104 VAL HG1 H 0.713 0.006 2 1039 104 104 VAL HG2 H 0.446 0.006 2 1040 104 104 VAL CA C 56.041 0.109 1 1041 104 104 VAL CB C 33.623 0.109 1 1042 104 104 VAL CG1 C 20.614 0.109 2 1043 104 104 VAL CG2 C 17.659 0.109 2 1044 104 104 VAL N N 107.300 0.160 1 1045 105 105 THR H H 8.552 0.006 1 1046 105 105 THR HA H 4.451 0.006 1 1047 105 105 THR HB H 4.117 0.006 1 1048 105 105 THR HG2 H 1.064 0.006 1 1049 105 105 THR CA C 56.535 0.109 1 1050 105 105 THR CB C 69.300 0.109 1 1051 105 105 THR CG2 C 18.711 0.109 1 1052 105 105 THR N N 112.403 0.160 1 1053 106 106 ASP H H 8.251 0.006 1 1054 106 106 ASP HA H 4.101 0.006 1 1055 106 106 ASP HB2 H 2.368 0.006 2 1056 106 106 ASP HB3 H 2.487 0.006 2 1057 106 106 ASP CA C 53.144 0.109 1 1058 106 106 ASP CB C 37.580 0.109 1 1059 106 106 ASP N N 120.417 0.160 1 1060 107 107 GLY H H 8.818 0.006 1 1061 107 107 GLY HA2 H 3.484 0.006 2 1062 107 107 GLY HA3 H 4.476 0.006 2 1063 107 107 GLY CA C 42.640 0.109 1 1064 107 107 GLY N N 109.772 0.160 1 1065 108 108 GLN H H 7.423 0.006 1 1066 108 108 GLN HA H 4.493 0.006 1 1067 108 108 GLN HB2 H 1.808 0.006 2 1068 108 108 GLN HB3 H 2.018 0.006 2 1069 108 108 GLN HG2 H 2.417 0.006 1 1070 108 108 GLN HG3 H 2.417 0.006 1 1071 108 108 GLN HE21 H 6.672 0.006 2 1072 108 108 GLN HE22 H 7.600 0.006 2 1073 108 108 GLN CA C 54.848 0.109 1 1074 108 108 GLN CB C 28.393 0.109 1 1075 108 108 GLN CG C 33.742 0.109 1 1076 108 108 GLN N N 118.884 0.160 1 1077 108 108 GLN NE2 N 109.071 0.160 1 1078 109 109 THR H H 9.147 0.006 1 1079 109 109 THR HA H 4.805 0.006 1 1080 109 109 THR HB H 4.116 0.006 1 1081 109 109 THR HG2 H 1.043 0.006 1 1082 109 109 THR CA C 60.839 0.109 1 1083 109 109 THR CB C 66.839 0.109 1 1084 109 109 THR CG2 C 18.883 0.109 1 1085 109 109 THR N N 120.631 0.160 1 1086 110 110 VAL H H 8.939 0.006 1 1087 110 110 VAL HA H 5.068 0.006 1 1088 110 110 VAL HB H 1.786 0.006 1 1089 110 110 VAL HG1 H 0.567 0.006 2 1090 110 110 VAL HG2 H 0.723 0.006 2 1091 110 110 VAL CA C 58.717 0.109 1 1092 110 110 VAL CB C 31.838 0.109 1 1093 110 110 VAL CG1 C 18.053 0.109 2 1094 110 110 VAL CG2 C 19.360 0.109 2 1095 110 110 VAL N N 128.008 0.160 1 1096 111 111 THR H H 9.102 0.006 1 1097 111 111 THR HA H 5.436 0.006 1 1098 111 111 THR HB H 4.055 0.006 1 1099 111 111 THR HG2 H 0.567 0.006 1 1100 111 111 THR CA C 58.139 0.109 1 1101 111 111 THR CB C 67.428 0.109 1 1102 111 111 THR CG2 C 18.475 0.109 1 1103 111 111 THR N N 126.211 0.160 1 1104 112 112 ILE H H 8.846 0.006 1 1105 112 112 ILE HA H 4.356 0.006 1 1106 112 112 ILE HB H 1.847 0.006 1 1107 112 112 ILE HG12 H 1.736 0.006 2 1108 112 112 ILE HG13 H 0.810 0.006 2 1109 112 112 ILE HG2 H 0.660 0.006 1 1110 112 112 ILE HD1 H 0.963 0.006 1 1111 112 112 ILE CA C 58.874 0.109 1 1112 112 112 ILE CB C 37.431 0.109 1 1113 112 112 ILE CG1 C 24.781 0.109 1 1114 112 112 ILE CG2 C 16.326 0.109 1 1115 112 112 ILE CD1 C 11.405 0.109 1 1116 112 112 ILE N N 125.201 0.160 1 1117 113 113 HIS H H 8.915 0.006 1 1118 113 113 HIS HA H 4.694 0.006 1 1119 113 113 HIS HB2 H 3.189 0.006 2 1120 113 113 HIS HB3 H 3.065 0.006 2 1121 113 113 HIS HE1 H 7.758 0.006 1 1122 113 113 HIS CA C 52.664 0.109 1 1123 113 113 HIS CB C 30.749 0.109 1 1124 113 113 HIS CE1 C 135.279 0.109 1 1125 113 113 HIS N N 125.153 0.160 1 1126 114 114 CYS H H 8.476 0.006 1 1127 114 114 CYS HA H 4.695 0.006 1 1128 114 114 CYS HB2 H 2.691 0.006 2 1129 114 114 CYS HB3 H 1.272 0.006 2 1130 114 114 CYS CA C 54.408 0.109 1 1131 114 114 CYS CB C 27.074 0.109 1 1132 114 114 CYS N N 120.787 0.160 1 1133 115 115 ASN H H 8.104 0.006 1 1134 115 115 ASN HA H 4.942 0.006 1 1135 115 115 ASN HB2 H 2.763 0.006 2 1136 115 115 ASN HB3 H 2.845 0.006 2 1137 115 115 ASN HD21 H 6.633 0.006 2 1138 115 115 ASN HD22 H 8.514 0.006 2 1139 115 115 ASN CA C 49.470 0.109 1 1140 115 115 ASN CB C 36.848 0.109 1 1141 115 115 ASN N N 129.230 0.160 1 1142 115 115 ASN ND2 N 113.271 0.160 1 1143 116 116 ASP H H 8.190 0.006 1 1144 116 116 ASP HA H 3.356 0.006 1 1145 116 116 ASP HB2 H 2.081 0.006 2 1146 116 116 ASP HB3 H 3.266 0.006 2 1147 116 116 ASP CA C 50.758 0.109 1 1148 116 116 ASP CB C 38.123 0.109 1 1149 116 116 ASP N N 122.678 0.160 1 1150 117 117 LYS HA H 3.970 0.006 1 1151 117 117 LYS HB2 H 1.924 0.006 2 1152 117 117 LYS HB3 H 1.511 0.006 2 1153 117 117 LYS HG2 H 1.221 0.006 2 1154 117 117 LYS HG3 H 1.396 0.006 2 1155 117 117 LYS HD2 H 1.635 0.006 2 1156 117 117 LYS HD3 H 1.739 0.006 2 1157 117 117 LYS HE2 H 2.936 0.006 1 1158 117 117 LYS HE3 H 2.936 0.006 1 1159 117 117 LYS CA C 53.812 0.109 1 1160 117 117 LYS CB C 29.346 0.109 1 1161 117 117 LYS CG C 22.476 0.109 1 1162 117 117 LYS CD C 26.672 0.109 1 1163 117 117 LYS CE C 39.698 0.109 1 1164 118 118 SER H H 8.482 0.006 1 1165 118 118 SER HA H 4.328 0.006 1 1166 118 118 SER HB2 H 3.963 0.006 1 1167 118 118 SER HB3 H 3.963 0.006 1 1168 118 118 SER CA C 58.055 0.109 1 1169 118 118 SER CB C 60.866 0.109 1 1170 118 118 SER N N 117.909 0.160 1 1171 119 119 ASP H H 7.443 0.006 1 1172 119 119 ASP HA H 4.574 0.006 1 1173 119 119 ASP HB2 H 2.399 0.006 2 1174 119 119 ASP HB3 H 2.635 0.006 2 1175 119 119 ASP CA C 50.440 0.109 1 1176 119 119 ASP CB C 38.754 0.109 1 1177 119 119 ASP N N 120.287 0.160 1 1178 120 120 ASN H H 7.750 0.006 1 1179 120 120 ASN HA H 4.311 0.006 1 1180 120 120 ASN HB2 H 2.972 0.006 2 1181 120 120 ASN HB3 H 2.694 0.006 2 1182 120 120 ASN HD21 H 7.461 0.006 2 1183 120 120 ASN HD22 H 6.670 0.006 2 1184 120 120 ASN CA C 51.798 0.109 1 1185 120 120 ASN CB C 34.704 0.109 1 1186 120 120 ASN N N 115.495 0.160 1 1187 120 120 ASN ND2 N 112.697 0.160 1 1188 121 121 THR H H 7.935 0.006 1 1189 121 121 THR HA H 4.536 0.006 1 1190 121 121 THR HB H 4.060 0.006 1 1191 121 121 THR HG2 H 1.038 0.006 1 1192 121 121 THR CA C 58.393 0.109 1 1193 121 121 THR CB C 69.298 0.109 1 1194 121 121 THR CG2 C 18.842 0.109 1 1195 121 121 THR N N 110.246 0.160 1 1196 122 122 LYS H H 8.497 0.006 1 1197 122 122 LYS HA H 5.170 0.006 1 1198 122 122 LYS HB2 H 1.660 0.006 2 1199 122 122 LYS HB3 H 1.826 0.006 2 1200 122 122 LYS HG2 H 1.349 0.006 1 1201 122 122 LYS HG3 H 1.349 0.006 1 1202 122 122 LYS HD2 H 1.587 0.006 1 1203 122 122 LYS HD3 H 1.587 0.006 1 1204 122 122 LYS HE2 H 2.858 0.006 1 1205 122 122 LYS HE3 H 2.858 0.006 1 1206 122 122 LYS CA C 52.622 0.109 1 1207 122 122 LYS CB C 32.403 0.109 1 1208 122 122 LYS CG C 22.558 0.109 1 1209 122 122 LYS CD C 26.793 0.109 1 1210 122 122 LYS CE C 40.009 0.109 1 1211 122 122 LYS N N 122.832 0.160 1 1212 123 123 SER H H 8.765 0.006 1 1213 123 123 SER HA H 4.902 0.006 1 1214 123 123 SER HB2 H 3.980 0.006 1 1215 123 123 SER HB3 H 3.980 0.006 1 1216 123 123 SER CA C 54.535 0.109 1 1217 123 123 SER CB C 63.703 0.109 1 1218 123 123 SER N N 116.382 0.160 1 1219 124 124 SER H H 8.352 0.006 1 1220 124 124 SER HA H 5.611 0.006 1 1221 124 124 SER HB2 H 3.781 0.006 2 1222 124 124 SER HB3 H 3.294 0.006 2 1223 124 124 SER CA C 55.041 0.109 1 1224 124 124 SER CB C 63.265 0.109 1 1225 124 124 SER N N 112.166 0.160 1 1226 125 125 VAL H H 8.233 0.006 1 1227 125 125 VAL HA H 4.571 0.006 1 1228 125 125 VAL HB H 1.933 0.006 1 1229 125 125 VAL HG1 H 0.759 0.006 2 1230 125 125 VAL HG2 H 0.843 0.006 2 1231 125 125 VAL CA C 57.343 0.109 1 1232 125 125 VAL CB C 32.098 0.109 1 1233 125 125 VAL CG1 C 19.165 0.109 2 1234 125 125 VAL CG2 C 17.917 0.109 2 1235 125 125 VAL N N 112.828 0.160 1 1236 126 126 SER H H 8.095 0.006 1 1237 126 126 SER HA H 5.259 0.006 1 1238 126 126 SER HB2 H 3.500 0.006 2 1239 126 126 SER HB3 H 3.306 0.006 2 1240 126 126 SER CA C 53.828 0.109 1 1241 126 126 SER CB C 63.098 0.109 1 1242 126 126 SER N N 116.508 0.160 1 1243 127 127 GLY H H 7.753 0.006 1 1244 127 127 GLY HA2 H 4.135 0.006 2 1245 127 127 GLY HA3 H 3.479 0.006 2 1246 127 127 GLY CA C 43.240 0.109 1 1247 127 127 GLY N N 110.240 0.160 1 1248 128 128 LYS H H 8.629 0.006 1 1249 128 128 LYS HA H 5.210 0.006 1 1250 128 128 LYS HB2 H 1.330 0.006 2 1251 128 128 LYS HB3 H 1.671 0.006 2 1252 128 128 LYS HG2 H 1.371 0.006 2 1253 128 128 LYS HG3 H 1.248 0.006 2 1254 128 128 LYS HD2 H 1.591 0.006 1 1255 128 128 LYS HD3 H 1.591 0.006 1 1256 128 128 LYS HE2 H 2.860 0.006 1 1257 128 128 LYS HE3 H 2.860 0.006 1 1258 128 128 LYS CA C 52.212 0.109 1 1259 128 128 LYS CB C 31.937 0.109 1 1260 128 128 LYS CG C 22.997 0.109 1 1261 128 128 LYS CD C 27.015 0.109 1 1262 128 128 LYS CE C 39.742 0.109 1 1263 128 128 LYS N N 120.986 0.160 1 1264 129 129 VAL H H 9.162 0.006 1 1265 129 129 VAL HA H 3.446 0.006 1 1266 129 129 VAL HB H 2.241 0.006 1 1267 129 129 VAL HG1 H 0.856 0.006 2 1268 129 129 VAL HG2 H 0.721 0.006 2 1269 129 129 VAL CA C 62.351 0.109 1 1270 129 129 VAL CB C 29.056 0.109 1 1271 129 129 VAL CG1 C 20.544 0.109 2 1272 129 129 VAL CG2 C 18.698 0.109 2 1273 129 129 VAL N N 122.228 0.160 1 1274 130 130 GLY H H 8.924 0.006 1 1275 130 130 GLY HA2 H 3.577 0.006 1 1276 130 130 GLY HA3 H 4.232 0.006 1 1277 130 130 GLY CA C 42.842 0.109 1 1278 130 130 GLY N N 117.657 0.160 1 1279 131 131 ALA H H 8.416 0.006 1 1280 131 131 ALA HA H 4.763 0.006 1 1281 131 131 ALA HB H 1.471 0.006 1 1282 131 131 ALA CA C 47.874 0.109 1 1283 131 131 ALA CB C 18.275 0.109 1 1284 131 131 ALA N N 125.688 0.160 1 1285 132 132 ASP H H 7.861 0.006 1 1286 132 132 ASP HA H 4.808 0.006 1 1287 132 132 ASP HB2 H 2.671 0.006 2 1288 132 132 ASP HB3 H 2.414 0.006 2 1289 132 132 ASP CA C 50.789 0.109 1 1290 132 132 ASP CB C 39.935 0.109 1 1291 132 132 ASP N N 118.130 0.160 1 1292 133 133 LEU H H 8.433 0.006 1 1293 133 133 LEU HA H 3.466 0.006 1 1294 133 133 LEU HB2 H 1.104 0.006 2 1295 133 133 LEU HB3 H 1.182 0.006 2 1296 133 133 LEU HG H 1.101 0.006 1 1297 133 133 LEU HD1 H -0.103 0.006 2 1298 133 133 LEU HD2 H 0.181 0.006 2 1299 133 133 LEU CA C 53.174 0.109 1 1300 133 133 LEU CB C 39.455 0.109 1 1301 133 133 LEU CG C 24.222 0.109 1 1302 133 133 LEU CD1 C 21.127 0.109 2 1303 133 133 LEU CD2 C 22.581 0.109 2 1304 133 133 LEU N N 120.503 0.160 1 1305 134 134 THR H H 8.493 0.006 1 1306 134 134 THR HA H 4.273 0.006 1 1307 134 134 THR HB H 4.122 0.006 1 1308 134 134 THR HG2 H 1.083 0.006 1 1309 134 134 THR CA C 59.891 0.109 1 1310 134 134 THR CB C 67.013 0.109 1 1311 134 134 THR CG2 C 19.641 0.109 1 1312 134 134 THR N N 115.755 0.160 1 1313 135 135 SER H H 7.879 0.006 1 1314 135 135 SER HA H 4.558 0.006 1 1315 135 135 SER HB2 H 3.654 0.006 1 1316 135 135 SER HB3 H 3.654 0.006 1 1317 135 135 SER CA C 55.205 0.109 1 1318 135 135 SER CB C 61.867 0.109 1 1319 135 135 SER N N 115.817 0.160 1 1320 136 136 GLY H H 8.647 0.006 1 1321 136 136 GLY HA2 H 3.728 0.006 2 1322 136 136 GLY HA3 H 4.351 0.006 2 1323 136 136 GLY CA C 42.839 0.109 1 1324 136 136 GLY N N 109.656 0.160 1 1325 137 137 ASN H H 8.398 0.006 1 1326 137 137 ASN HA H 4.119 0.006 1 1327 137 137 ASN HB2 H 2.626 0.006 2 1328 137 137 ASN HB3 H 2.463 0.006 2 1329 137 137 ASN HD21 H 7.610 0.006 2 1330 137 137 ASN HD22 H 6.705 0.006 2 1331 137 137 ASN CA C 52.602 0.109 1 1332 137 137 ASN CB C 35.373 0.109 1 1333 137 137 ASN N N 118.884 0.160 1 1334 137 137 ASN ND2 N 113.332 0.160 1 1335 138 138 GLY H H 8.768 0.006 1 1336 138 138 GLY HA2 H 3.692 0.006 2 1337 138 138 GLY HA3 H 4.012 0.006 2 1338 138 138 GLY CA C 43.113 0.109 1 1339 138 138 GLY N N 112.088 0.160 1 1340 139 139 THR H H 7.997 0.006 1 1341 139 139 THR HA H 4.069 0.006 1 1342 139 139 THR HB H 3.561 0.006 1 1343 139 139 THR HG2 H 0.745 0.006 1 1344 139 139 THR CA C 61.105 0.109 1 1345 139 139 THR CB C 67.042 0.109 1 1346 139 139 THR CG2 C 19.555 0.109 1 1347 139 139 THR N N 117.596 0.160 1 1348 140 140 THR H H 8.776 0.006 1 1349 140 140 THR HA H 4.474 0.006 1 1350 140 140 THR HB H 3.874 0.006 1 1351 140 140 THR HG2 H 1.063 0.006 1 1352 140 140 THR CA C 58.872 0.109 1 1353 140 140 THR CB C 67.852 0.109 1 1354 140 140 THR CG2 C 19.162 0.109 1 1355 140 140 THR N N 123.544 0.160 1 1356 141 141 PHE H H 8.928 0.006 1 1357 141 141 PHE HA H 5.202 0.006 1 1358 141 141 PHE HB2 H 3.047 0.006 2 1359 141 141 PHE HB3 H 2.745 0.006 2 1360 141 141 PHE HD1 H 6.967 0.006 3 1361 141 141 PHE HD2 H 6.967 0.006 3 1362 141 141 PHE HE1 H 7.080 0.006 3 1363 141 141 PHE HE2 H 7.080 0.006 3 1364 141 141 PHE CA C 50.447 0.109 1 1365 141 141 PHE CB C 39.267 0.109 1 1366 141 141 PHE CD1 C 127.618 0.109 3 1367 141 141 PHE CD2 C 127.627 0.109 3 1368 141 141 PHE CE1 C 126.258 0.109 3 1369 141 141 PHE CE2 C 126.260 0.109 3 1370 141 141 PHE N N 122.437 0.160 1 1371 142 142 LYS H H 8.291 0.006 1 1372 142 142 LYS HA H 4.392 0.006 1 1373 142 142 LYS HB2 H 1.590 0.006 2 1374 142 142 LYS HB3 H 1.806 0.006 2 1375 142 142 LYS HG2 H 1.591 0.006 2 1376 142 142 LYS HG3 H 1.297 0.006 2 1377 142 142 LYS HD2 H 1.590 0.006 1 1378 142 142 LYS HD3 H 1.590 0.006 1 1379 142 142 LYS HE2 H 2.879 0.006 1 1380 142 142 LYS HE3 H 2.879 0.006 1 1381 142 142 LYS CA C 54.124 0.109 1 1382 142 142 LYS CB C 29.961 0.109 1 1383 142 142 LYS CG C 22.746 0.109 1 1384 142 142 LYS CD C 26.810 0.109 1 1385 142 142 LYS CE C 39.763 0.109 1 1386 142 142 LYS N N 122.432 0.160 1 1387 143 143 LYS H H 8.079 0.006 1 1388 143 143 LYS HA H 3.585 0.006 1 1389 143 143 LYS HB2 H 1.603 0.006 2 1390 143 143 LYS HB3 H 1.413 0.006 2 1391 143 143 LYS HG2 H 1.322 0.006 1 1392 143 143 LYS HG3 H 1.322 0.006 1 1393 143 143 LYS HE2 H 2.472 0.006 1 1394 143 143 LYS HE3 H 2.472 0.006 1 1395 143 143 LYS CA C 57.304 0.109 1 1396 143 143 LYS CB C 32.010 0.109 1 1397 143 143 LYS CG C 21.671 0.109 1 1398 143 143 LYS CE C 39.107 0.109 1 1399 143 143 LYS N N 129.439 0.160 1 1400 144 144 ARG H H 8.957 0.006 1 1401 144 144 ARG HA H 4.108 0.006 1 1402 144 144 ARG HB2 H 1.560 0.006 2 1403 144 144 ARG HB3 H 1.151 0.006 2 1404 144 144 ARG HG2 H -0.489 0.006 2 1405 144 144 ARG HG3 H 0.669 0.006 2 1406 144 144 ARG HD2 H 2.182 0.006 1 1407 144 144 ARG HD3 H 2.182 0.006 1 1408 144 144 ARG HE H 6.325 0.006 1 1409 144 144 ARG CA C 54.679 0.109 1 1410 144 144 ARG CB C 26.467 0.109 1 1411 144 144 ARG CG C 22.313 0.109 1 1412 144 144 ARG CD C 39.915 0.109 1 1413 144 144 ARG N N 116.057 0.160 1 1414 144 144 ARG NE N 87.65 0.160 1 1415 145 145 PHE H H 7.596 0.006 1 1416 145 145 PHE HA H 5.108 0.006 1 1417 145 145 PHE HB2 H 2.507 0.006 2 1418 145 145 PHE HB3 H 3.631 0.006 2 1419 145 145 PHE HD1 H 7.259 0.006 3 1420 145 145 PHE HD2 H 7.259 0.006 3 1421 145 145 PHE HE1 H 7.333 0.006 3 1422 145 145 PHE HE2 H 7.333 0.006 3 1423 145 145 PHE HZ H 7.332 0.006 1 1424 145 145 PHE CA C 53.243 0.109 1 1425 145 145 PHE CB C 37.867 0.109 1 1426 145 145 PHE CD1 C 128.290 0.109 3 1427 145 145 PHE CD2 C 128.285 0.109 3 1428 145 145 PHE CE1 C 129.327 0.109 3 1429 145 145 PHE CE2 C 129.323 0.109 3 1430 145 145 PHE CZ C 127.421 0.109 1 1431 145 145 PHE N N 118.676 0.160 1 1432 146 146 ILE H H 7.177 0.006 1 1433 146 146 ILE HA H 4.687 0.006 1 1434 146 146 ILE HB H 1.552 0.006 1 1435 146 146 ILE HG12 H 0.022 0.006 2 1436 146 146 ILE HG13 H 1.800 0.006 2 1437 146 146 ILE HG2 H 0.634 0.006 1 1438 146 146 ILE HD1 H 0.789 0.006 1 1439 146 146 ILE CA C 60.138 0.109 1 1440 146 146 ILE CB C 35.542 0.109 1 1441 146 146 ILE CG1 C 23.728 0.109 1 1442 146 146 ILE CG2 C 15.017 0.109 1 1443 146 146 ILE CD1 C 12.988 0.109 1 1444 146 146 ILE N N 121.699 0.160 1 1445 147 147 ASP H H 8.480 0.006 1 1446 147 147 ASP HA H 5.018 0.006 1 1447 147 147 ASP HB2 H 3.105 0.006 2 1448 147 147 ASP HB3 H 2.637 0.006 2 1449 147 147 ASP CA C 51.255 0.109 1 1450 147 147 ASP CB C 40.011 0.109 1 1451 147 147 ASP N N 126.977 0.160 1 1452 148 148 LYS H H 7.489 0.006 1 1453 148 148 LYS HA H 5.301 0.006 1 1454 148 148 LYS HB2 H 1.704 0.006 2 1455 148 148 LYS HB3 H 1.451 0.006 2 1456 148 148 LYS HG2 H 1.053 0.006 2 1457 148 148 LYS HG3 H 1.386 0.006 2 1458 148 148 LYS HD2 H 1.294 0.006 2 1459 148 148 LYS HD3 H 1.177 0.006 2 1460 148 148 LYS HE2 H 2.375 0.006 2 1461 148 148 LYS HE3 H 2.550 0.006 2 1462 148 148 LYS CA C 53.669 0.109 1 1463 148 148 LYS CB C 33.485 0.109 1 1464 148 148 LYS CG C 22.365 0.109 1 1465 148 148 LYS CD C 26.611 0.109 1 1466 148 148 LYS CE C 38.696 0.109 1 1467 148 148 LYS N N 122.107 0.160 1 1468 149 149 ILE H H 9.271 0.006 1 1469 149 149 ILE HA H 5.421 0.006 1 1470 149 149 ILE HB H 1.725 0.006 1 1471 149 149 ILE HG12 H 1.494 0.006 2 1472 149 149 ILE HG13 H 1.084 0.006 2 1473 149 149 ILE HG2 H 0.686 0.006 1 1474 149 149 ILE HD1 H 0.695 0.006 1 1475 149 149 ILE CA C 56.774 0.109 1 1476 149 149 ILE CB C 39.041 0.109 1 1477 149 149 ILE CG1 C 27.038 0.109 1 1478 149 149 ILE CG2 C 16.330 0.109 1 1479 149 149 ILE CD1 C 13.159 0.109 1 1480 149 149 ILE N N 126.457 0.160 1 1481 150 150 THR H H 9.375 0.006 1 1482 150 150 THR HA H 4.905 0.006 1 1483 150 150 THR HB H 4.412 0.006 1 1484 150 150 THR HG2 H 1.133 0.006 1 1485 150 150 THR CA C 57.902 0.109 1 1486 150 150 THR CB C 68.294 0.109 1 1487 150 150 THR CG2 C 19.895 0.109 1 1488 150 150 THR N N 117.417 0.160 1 1489 151 151 ILE H H 8.187 0.006 1 1490 151 151 ILE HA H 5.013 0.006 1 1491 151 151 ILE HB H 1.548 0.006 1 1492 151 151 ILE HG12 H 1.335 0.006 2 1493 151 151 ILE HG13 H 1.014 0.006 2 1494 151 151 ILE HG2 H 0.767 0.006 1 1495 151 151 ILE HD1 H 0.623 0.006 1 1496 151 151 ILE CA C 58.854 0.109 1 1497 151 151 ILE CB C 38.191 0.109 1 1498 151 151 ILE CG1 C 28.173 0.109 1 1499 151 151 ILE CG2 C 19.176 0.109 1 1500 151 151 ILE CD1 C 14.025 0.109 1 1501 151 151 ILE N N 124.993 0.160 1 1502 152 152 ASP H H 8.931 0.006 1 1503 152 152 ASP HA H 4.665 0.006 1 1504 152 152 ASP HB2 H 2.707 0.006 2 1505 152 152 ASP HB3 H 2.430 0.006 2 1506 152 152 ASP CA C 53.400 0.109 1 1507 152 152 ASP CB C 41.795 0.109 1 1508 152 152 ASP N N 129.969 0.160 1 stop_ save_