data_18151 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N chemical shift assignments for CdnL from Myxoccoccus xanthus ; _BMRB_accession_number 18151 _BMRB_flat_file_name bmr18151.str _Entry_type original _Submission_date 2011-12-19 _Accession_date 2011-12-19 _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 Jimenez 'M. Angeles' . . 2 Padmanabhan S. . . 3 Mirassou Yasmina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 892 "13C chemical shifts" 539 "15N chemical shifts" 166 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-25 update BMRB 'update entry citation' 2012-03-09 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15977 'CdnL C-terminal domain 55-164 residues' 18121 'CdnL N-terminal domain 1-68 residues' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C and (15)N assignments of CdnL, an essential protein in Myxococcus xanthus.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22392343 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mirassou Yasmina . . 2 Elias-Arnanz Montserrat . . 3 Padmanabhan S. . . 4 Jimenez 'M. Angeles' . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 51 _Page_last 55 _Year 2013 _Details . loop_ _Keyword CarD_TRCF CdnL 'Myxococcus xanthus' PF02559 'RNA polymerase interacting domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CdnL _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CdnL $CdnL stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic yes _System_thiol_state . loop_ _Biological_function 'Essential protein for cell viability.' 'Interacts with the beta subunit of RNA polymerase.' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CdnL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CdnL _Molecular_mass 18982.7 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 167 _Mol_residue_sequence ; GSHMQTSFKTGDKAVYPGQG VGEVMGIEHTEVAGQRQSFY VLRILENGMRIMIPINKVGS VGLREIISEEDVKQVYSILK EKDISVDSTTWNRRYREYME KIKTGSVFEIAEVLRDLYLL KGDKDLSFGERKMLDTARSL LIKELSLAKDCSEDEIESDL KKIFNLA ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 GLN 6 THR 7 SER 8 PHE 9 LYS 10 THR 11 GLY 12 ASP 13 LYS 14 ALA 15 VAL 16 TYR 17 PRO 18 GLY 19 GLN 20 GLY 21 VAL 22 GLY 23 GLU 24 VAL 25 MET 26 GLY 27 ILE 28 GLU 29 HIS 30 THR 31 GLU 32 VAL 33 ALA 34 GLY 35 GLN 36 ARG 37 GLN 38 SER 39 PHE 40 TYR 41 VAL 42 LEU 43 ARG 44 ILE 45 LEU 46 GLU 47 ASN 48 GLY 49 MET 50 ARG 51 ILE 52 MET 53 ILE 54 PRO 55 ILE 56 ASN 57 LYS 58 VAL 59 GLY 60 SER 61 VAL 62 GLY 63 LEU 64 ARG 65 GLU 66 ILE 67 ILE 68 SER 69 GLU 70 GLU 71 ASP 72 VAL 73 LYS 74 GLN 75 VAL 76 TYR 77 SER 78 ILE 79 LEU 80 LYS 81 GLU 82 LYS 83 ASP 84 ILE 85 SER 86 VAL 87 ASP 88 SER 89 THR 90 THR 91 TRP 92 ASN 93 ARG 94 ARG 95 TYR 96 ARG 97 GLU 98 TYR 99 MET 100 GLU 101 LYS 102 ILE 103 LYS 104 THR 105 GLY 106 SER 107 VAL 108 PHE 109 GLU 110 ILE 111 ALA 112 GLU 113 VAL 114 LEU 115 ARG 116 ASP 117 LEU 118 TYR 119 LEU 120 LEU 121 LYS 122 GLY 123 ASP 124 LYS 125 ASP 126 LEU 127 SER 128 PHE 129 GLY 130 GLU 131 ARG 132 LYS 133 MET 134 LEU 135 ASP 136 THR 137 ALA 138 ARG 139 SER 140 LEU 141 LEU 142 ILE 143 LYS 144 GLU 145 LEU 146 SER 147 LEU 148 ALA 149 LYS 150 ASP 151 CYS 152 SER 153 GLU 154 ASP 155 GLU 156 ILE 157 GLU 158 SER 159 ASP 160 LEU 161 LYS 162 LYS 163 ILE 164 PHE 165 ASN 166 LEU 167 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15977 CdnLC 67.07 113 97.32 99.11 3.35e-68 PDB 2LT3 "Solution Nmr Structure Of The C-terminal Domain Of Cdnl From Myxococcus Xanthus" 67.07 113 97.32 99.11 3.35e-68 PDB 2LWJ "Nmr Solution Structure Myxoccoccus Xanthus Cdnl" 100.00 167 100.00 100.00 7.09e-116 GB ABF89955 "transcriptional regulator, CarD family [Myxococcus xanthus DK 1622]" 98.20 164 100.00 100.00 4.76e-113 GB ADO71151 "Transcriptional regulator, CarD domain protein [Stigmatella aurantiaca DW4/3-1]" 98.20 165 98.17 99.39 5.54e-111 GB AEI66063 "CarD family transcriptional regulator CdnL [Myxococcus fulvus HW-1]" 98.20 164 99.39 100.00 2.35e-112 GB AFE08291 "CarD family transcriptional regulator CdnL [Corallococcus coralloides DSM 2259]" 98.20 164 98.17 100.00 9.21e-112 GB AGC44335 "CarD family transcriptional regulator CdnL [Myxococcus stipitatus DSM 14675]" 98.20 164 98.78 100.00 7.08e-112 REF WP_002617724 "CarD family transcriptional regulator [Stigmatella aurantiaca]" 98.20 165 98.17 99.39 5.54e-111 REF WP_002625147 "hypothetical protein [Cystobacter fuscus]" 98.20 164 99.39 100.00 1.15e-112 REF WP_002639129 "CarD family transcriptional regulator [Myxococcus sp. (contaminant ex DSM 436)]" 98.20 164 98.17 100.00 1.61e-111 REF WP_011552697 "CarD family transcriptional regulator [Myxococcus xanthus]" 98.20 164 100.00 100.00 4.76e-113 REF WP_013939202 "MULTISPECIES: CarD family transcriptional regulator [Cystobacterineae]" 98.20 164 99.39 100.00 2.35e-112 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $CdnL 'Myxococcus xanthus' 34 Bacteria . Myxoccoccus xanthus cdnL 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 $CdnL 'recombinant technology' . Escherichia coli . pET15b 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 $CdnL 1 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' beta-mercaptoethanol 2 mM 'natural abundance' DSS 0.5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CdnL 1 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' beta-mercaptoethanol 2 mM 'natural abundance' DSS 0.5 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CdnL 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' beta-mercaptoethanol 2 mM 'natural abundance' DSS 0.5 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CdnL 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' beta-mercaptoethanol 2 mM 'natural abundance' DSS 0.5 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CdnL 0.25 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' beta-mercaptoethanol 2 mM 'natural abundance' DSS 0.1 mM 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CdnL 0.25 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' beta-mercaptoethanol 2 mM 'natural abundance' DSS 0.1 mM 'natural abundance' stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CdnL 0.25 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' beta-mercaptoethanol 2 mM 'natural abundance' DSS 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_4 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_4 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_4 save_ save_2D_1H-1H_COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_5 save_ save_2D_1H-1H_TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_5 save_ save_2D_1H-1H_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_5 save_ save_2D_1H-1H_COSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_6 save_ save_2D_1H-1H_TOCSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_6 save_ save_2D_1H-1H_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_6 save_ save_2D_1H-15N_HSQC_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_7 save_ save_2D_1H-13C_HSQC_aliphatic_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_7 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 7.0 0.1 pH pressure 1 . atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details '1H, 13C and 15N chemical shifts at 25 C' loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D CBCA(CO)NH' '2D 1H-13C HSQC aliphatic' '3D HCCH-TOCSY' '3D 1H-13C NOESY aliphatic' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_3 $sample_4 $sample_5 $sample_6 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CdnL _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 HIS HA H 4.637 0.01 1 2 3 3 HIS HB2 H 3.097 0.01 2 3 3 3 HIS HB3 H 3.171 0.01 2 4 3 3 HIS HD2 H 6.992 0.01 1 5 3 3 HIS HE1 H 7.718 0.01 1 6 3 3 HIS CA C 56.635 0.1 1 7 3 3 HIS CB C 31.008 0.1 1 8 4 4 MET HA H 4.438 0.01 1 9 4 4 MET HB2 H 1.949 0.01 2 10 4 4 MET HB3 H 2.057 0.01 2 11 4 4 MET HG2 H 2.369 0.01 2 12 4 4 MET HG3 H 2.451 0.01 2 13 4 4 MET HE H 2.079 0.01 1 14 4 4 MET C C 175.784 0.1 1 15 4 4 MET CA C 55.599 0.1 1 16 4 4 MET CB C 32.756 0.1 1 17 4 4 MET CG C 32.103 0.1 1 18 4 4 MET CE C 16.909 0.1 1 19 5 5 GLN H H 8.494 0.01 1 20 5 5 GLN HA H 4.397 0.01 1 21 5 5 GLN HB2 H 2.005 0.01 2 22 5 5 GLN HB3 H 2.104 0.01 2 23 5 5 GLN HG2 H 2.333 0.01 2 24 5 5 GLN HG3 H 2.333 0.01 2 25 5 5 GLN HE21 H 6.890 0.01 2 26 5 5 GLN HE22 H 7.513 0.01 2 27 5 5 GLN C C 175.766 0.1 1 28 5 5 GLN CA C 55.781 0.1 1 29 5 5 GLN CB C 29.453 0.1 1 30 5 5 GLN CG C 33.617 0.1 1 31 5 5 GLN CD C 180.395 0.1 1 32 5 5 GLN N N 122.342 0.1 1 33 5 5 GLN NE2 N 112.133 0.1 1 34 6 6 THR H H 8.216 0.01 1 35 6 6 THR HA H 4.288 0.01 1 36 6 6 THR HB H 4.155 0.01 1 37 6 6 THR HG2 H 1.009 0.01 1 38 6 6 THR C C 173.920 0.1 1 39 6 6 THR CA C 61.901 0.1 1 40 6 6 THR CB C 69.846 0.1 1 41 6 6 THR N N 116.664 0.1 1 42 7 7 SER H H 8.142 0.01 1 43 7 7 SER HA H 4.464 0.01 1 44 7 7 SER HB2 H 3.757 0.01 2 45 7 7 SER HB3 H 3.757 0.01 2 46 7 7 SER C C 172.789 0.1 1 47 7 7 SER CA C 57.980 0.1 1 48 7 7 SER CB C 64.163 0.1 1 49 7 7 SER N N 118.485 0.1 1 50 8 8 PHE H H 7.604 0.01 1 51 8 8 PHE HA H 4.759 0.01 1 52 8 8 PHE HB2 H 2.130 0.01 2 53 8 8 PHE HB3 H 2.821 0.01 2 54 8 8 PHE HD1 H 6.913 0.01 3 55 8 8 PHE HD2 H 6.913 0.01 3 56 8 8 PHE HE1 H 7.035 0.01 3 57 8 8 PHE HE2 H 7.035 0.01 3 58 8 8 PHE C C 174.305 0.1 1 59 8 8 PHE CA C 57.554 0.1 1 60 8 8 PHE CB C 41.868 0.1 1 61 8 8 PHE N N 119.419 0.1 1 62 9 9 LYS H H 9.146 0.01 1 63 9 9 LYS HA H 4.733 0.01 1 64 9 9 LYS HB2 H 1.817 0.01 2 65 9 9 LYS HB3 H 1.874 0.01 2 66 9 9 LYS HG2 H 1.364 0.01 2 67 9 9 LYS HG3 H 1.590 0.01 2 68 9 9 LYS HD2 H 1.712 0.01 2 69 9 9 LYS HD3 H 1.712 0.01 2 70 9 9 LYS HE2 H 3.076 0.01 2 71 9 9 LYS HE3 H 3.076 0.01 2 72 9 9 LYS C C 175.647 0.1 1 73 9 9 LYS CA C 53.961 0.1 1 74 9 9 LYS CB C 35.230 0.1 1 75 9 9 LYS CG C 23.634 0.1 1 76 9 9 LYS CD C 28.838 0.1 1 77 9 9 LYS CE C 41.990 0.1 1 78 9 9 LYS N N 121.001 0.1 1 79 10 10 THR H H 8.357 0.01 1 80 10 10 THR HA H 3.627 0.01 1 81 10 10 THR HB H 3.976 0.01 1 82 10 10 THR HG2 H 1.211 0.01 1 83 10 10 THR C C 175.671 0.1 1 84 10 10 THR CA C 65.539 0.1 1 85 10 10 THR CB C 68.562 0.1 1 86 10 10 THR CG2 C 22.230 0.1 1 87 10 10 THR N N 116.648 0.1 1 88 11 11 GLY H H 9.436 0.01 1 89 11 11 GLY HA2 H 3.874 0.01 2 90 11 11 GLY HA3 H 4.499 0.01 2 91 11 11 GLY C C 174.900 0.1 1 92 11 11 GLY CA C 44.714 0.1 1 93 11 11 GLY N N 117.432 0.1 1 94 12 12 ASP H H 8.316 0.01 1 95 12 12 ASP HA H 4.699 0.01 1 96 12 12 ASP HB2 H 2.903 0.01 2 97 12 12 ASP HB3 H 2.988 0.01 2 98 12 12 ASP C C 175.533 0.1 1 99 12 12 ASP CA C 55.361 0.1 1 100 12 12 ASP N N 121.965 0.1 1 101 13 13 LYS H H 8.595 0.01 1 102 13 13 LYS HA H 5.388 0.01 1 103 13 13 LYS HB2 H 1.638 0.01 2 104 13 13 LYS HB3 H 1.872 0.01 2 105 13 13 LYS HD2 H 1.635 0.01 2 106 13 13 LYS HD3 H 1.635 0.01 2 107 13 13 LYS C C 175.405 0.1 1 108 13 13 LYS CA C 54.281 0.1 1 109 13 13 LYS CD C 28.824 0.1 1 110 13 13 LYS N N 118.573 0.1 1 111 14 14 ALA H H 8.710 0.01 1 112 14 14 ALA HA H 4.754 0.01 1 113 14 14 ALA HB H 0.685 0.01 1 114 14 14 ALA C C 174.904 0.1 1 115 14 14 ALA CA C 50.802 0.1 1 116 14 14 ALA CB C 23.126 0.1 1 117 14 14 ALA N N 122.092 0.1 1 118 15 15 VAL H H 9.113 0.01 1 119 15 15 VAL HA H 4.276 0.01 1 120 15 15 VAL HB H 1.851 0.01 1 121 15 15 VAL HG1 H 0.742 0.01 2 122 15 15 VAL HG2 H 0.876 0.01 2 123 15 15 VAL C C 174.263 0.1 1 124 15 15 VAL CA C 61.716 0.1 1 125 15 15 VAL CG1 C 20.896 0.1 2 126 15 15 VAL CG2 C 22.598 0.1 2 127 15 15 VAL N N 119.483 0.1 1 128 16 16 TYR H H 8.469 0.01 1 129 16 16 TYR HA H 4.941 0.01 1 130 16 16 TYR HB2 H 2.348 0.01 2 131 16 16 TYR HB3 H 3.023 0.01 2 132 16 16 TYR HD1 H 6.765 0.01 3 133 16 16 TYR HD2 H 6.765 0.01 3 134 16 16 TYR HE1 H 6.765 0.01 3 135 16 16 TYR HE2 H 6.765 0.01 3 136 16 16 TYR CA C 53.844 0.1 1 137 16 16 TYR N N 129.517 0.1 1 138 17 17 PRO HA H 4.206 0.01 1 139 17 17 PRO HB3 H 2.228 0.01 2 140 17 17 PRO HD2 H 2.834 0.01 2 141 17 17 PRO CD C 51.260 0.1 1 142 18 18 GLY H H 7.848 0.01 1 143 18 18 GLY HA2 H 3.628 0.01 2 144 18 18 GLY HA3 H 4.371 0.01 2 145 18 18 GLY C C 174.214 0.1 1 146 18 18 GLY CA C 45.448 0.1 1 147 18 18 GLY N N 108.654 0.1 1 148 19 19 GLN H H 8.216 0.01 1 149 19 19 GLN HE21 H 6.579 0.01 2 150 19 19 GLN HE22 H 7.307 0.01 2 151 19 19 GLN C C 175.644 0.1 1 152 19 19 GLN CA C 55.425 0.1 1 153 19 19 GLN CD C 177.956 0.1 1 154 19 19 GLN N N 116.659 0.1 1 155 19 19 GLN NE2 N 110.215 0.1 1 156 20 20 GLY H H 8.304 0.01 1 157 20 20 GLY HA2 H 3.679 0.01 2 158 20 20 GLY HA3 H 4.565 0.01 2 159 20 20 GLY C C 172.554 0.1 1 160 20 20 GLY CA C 44.570 0.1 1 161 20 20 GLY N N 106.657 0.1 1 162 21 21 VAL H H 8.295 0.01 1 163 21 21 VAL HA H 4.286 0.01 1 164 21 21 VAL HB H 1.956 0.01 1 165 21 21 VAL HG1 H 0.931 0.01 2 166 21 21 VAL HG2 H 1.015 0.01 2 167 21 21 VAL C C 176.361 0.1 1 168 21 21 VAL CA C 63.109 0.1 1 169 21 21 VAL CB C 32.600 0.1 1 170 21 21 VAL CG2 C 21.661 0.1 2 171 21 21 VAL N N 119.163 0.1 1 172 22 22 GLY H H 9.575 0.01 1 173 22 22 GLY HA2 H 3.274 0.01 2 174 22 22 GLY HA3 H 5.260 0.01 2 175 22 22 GLY C C 170.098 0.1 1 176 22 22 GLY CA C 44.926 0.1 1 177 22 22 GLY N N 115.200 0.1 1 178 23 23 GLU H H 8.792 0.01 1 179 23 23 GLU HA H 5.125 0.01 1 180 23 23 GLU HB2 H 1.812 0.01 2 181 23 23 GLU HB3 H 1.911 0.01 2 182 23 23 GLU HG2 H 2.058 0.01 2 183 23 23 GLU HG3 H 2.096 0.01 2 184 23 23 GLU C C 176.040 0.1 1 185 23 23 GLU CA C 53.440 0.1 1 186 23 23 GLU N N 118.507 0.1 1 187 24 24 VAL H H 9.277 0.01 1 188 24 24 VAL HA H 4.073 0.01 1 189 24 24 VAL HB H 2.334 0.01 1 190 24 24 VAL HG1 H 0.442 0.01 2 191 24 24 VAL HG2 H 0.787 0.01 2 192 24 24 VAL C C 176.414 0.1 1 193 24 24 VAL CA C 63.618 0.1 1 194 24 24 VAL CB C 30.500 0.1 1 195 24 24 VAL CG1 C 20.910 0.1 2 196 24 24 VAL CG2 C 21.375 0.1 2 197 24 24 VAL N N 127.199 0.1 1 198 25 25 MET H H 9.616 0.01 1 199 25 25 MET HA H 4.760 0.01 1 200 25 25 MET HB2 H 1.762 0.01 2 201 25 25 MET HB3 H 2.245 0.01 2 202 25 25 MET HG2 H 2.502 0.01 2 203 25 25 MET HG3 H 2.502 0.01 2 204 25 25 MET HE H 2.023 0.01 1 205 25 25 MET C C 176.582 0.1 1 206 25 25 MET CA C 54.621 0.1 1 207 25 25 MET CE C 15.750 0.1 1 208 25 25 MET N N 128.657 0.1 1 209 26 26 GLY H H 7.420 0.01 1 210 26 26 GLY HA2 H 4.013 0.01 2 211 26 26 GLY HA3 H 4.344 0.01 2 212 26 26 GLY C C 170.365 0.1 1 213 26 26 GLY CA C 44.578 0.1 1 214 26 26 GLY N N 105.582 0.1 1 215 27 27 ILE H H 8.153 0.01 1 216 27 27 ILE HA H 4.967 0.01 1 217 27 27 ILE HB H 1.514 0.01 1 218 27 27 ILE HG12 H 0.810 0.01 2 219 27 27 ILE HG13 H 1.504 0.01 2 220 27 27 ILE HG2 H 0.435 0.01 1 221 27 27 ILE HD1 H 0.883 0.01 1 222 27 27 ILE C C 175.541 0.1 1 223 27 27 ILE CA C 59.936 0.1 1 224 27 27 ILE CB C 40.659 0.1 1 225 27 27 ILE CG1 C 28.649 0.1 1 226 27 27 ILE CG2 C 17.497 0.1 1 227 27 27 ILE CD1 C 13.788 0.1 1 228 27 27 ILE N N 120.062 0.1 1 229 28 28 GLU H H 8.840 0.01 1 230 28 28 GLU HA H 4.516 0.01 1 231 28 28 GLU HB2 H 1.810 0.01 2 232 28 28 GLU HB3 H 1.810 0.01 2 233 28 28 GLU HG2 H 2.020 0.01 2 234 28 28 GLU HG3 H 2.020 0.01 2 235 28 28 GLU C C 174.327 0.1 1 236 28 28 GLU CA C 54.171 0.1 1 237 28 28 GLU CG C 35.875 0.1 1 238 28 28 GLU N N 126.701 0.1 1 239 29 29 HIS H H 8.640 0.01 1 240 29 29 HIS HA H 5.616 0.01 1 241 29 29 HIS HB2 H 2.910 0.01 2 242 29 29 HIS HB3 H 2.910 0.01 2 243 29 29 HIS HD2 H 6.966 0.01 1 244 29 29 HIS HE1 H 7.523 0.01 1 245 29 29 HIS C C 175.724 0.1 1 246 29 29 HIS CA C 54.677 0.1 1 247 29 29 HIS N N 121.346 0.1 1 248 30 30 THR H H 9.088 0.01 1 249 30 30 THR HA H 4.778 0.01 1 250 30 30 THR HB H 4.217 0.01 1 251 30 30 THR HG2 H 1.137 0.01 1 252 30 30 THR C C 173.058 0.1 1 253 30 30 THR CA C 60.219 0.1 1 254 30 30 THR CB C 71.087 0.1 1 255 30 30 THR CG2 C 20.911 0.1 1 256 30 30 THR N N 116.324 0.1 1 257 31 31 GLU H H 8.612 0.01 1 258 31 31 GLU HA H 4.966 0.01 1 259 31 31 GLU HB2 H 1.872 0.01 2 260 31 31 GLU HB3 H 1.921 0.01 2 261 31 31 GLU HG2 H 1.951 0.01 2 262 31 31 GLU HG3 H 2.028 0.01 2 263 31 31 GLU C C 175.502 0.1 1 264 31 31 GLU CA C 55.768 0.1 1 265 31 31 GLU CB C 31.502 0.1 1 266 31 31 GLU CG C 36.543 0.1 1 267 31 31 GLU N N 123.487 0.1 1 268 32 32 VAL H H 8.628 0.01 1 269 32 32 VAL HA H 4.197 0.01 1 270 32 32 VAL HB H 2.004 0.01 1 271 32 32 VAL HG1 H 0.958 0.01 2 272 32 32 VAL HG2 H 0.954 0.01 2 273 32 32 VAL C C 174.156 0.1 1 274 32 32 VAL CA C 61.849 0.1 1 275 32 32 VAL CB C 34.350 0.1 1 276 32 32 VAL CG1 C 20.617 0.1 2 277 32 32 VAL CG2 C 22.110 0.1 2 278 32 32 VAL N N 125.469 0.1 1 279 33 33 ALA H H 9.278 0.01 1 280 33 33 ALA HA H 4.068 0.01 1 281 33 33 ALA HB H 1.431 0.01 1 282 33 33 ALA C C 177.445 0.1 1 283 33 33 ALA CA C 52.814 0.1 1 284 33 33 ALA CB C 17.157 0.1 1 285 33 33 ALA N N 131.294 0.1 1 286 34 34 GLY H H 8.633 0.01 1 287 34 34 GLY HA2 H 3.670 0.01 2 288 34 34 GLY HA3 H 4.147 0.01 2 289 34 34 GLY C C 173.870 0.1 1 290 34 34 GLY CA C 45.396 0.1 1 291 34 34 GLY N N 104.058 0.1 1 292 35 35 GLN H H 7.918 0.01 1 293 35 35 GLN HA H 4.649 0.01 1 294 35 35 GLN HB2 H 2.011 0.01 2 295 35 35 GLN HB3 H 2.135 0.01 2 296 35 35 GLN HG2 H 2.298 0.01 2 297 35 35 GLN HG3 H 2.351 0.01 2 298 35 35 GLN HE21 H 6.877 0.01 2 299 35 35 GLN HE22 H 7.570 0.01 2 300 35 35 GLN C C 174.806 0.1 1 301 35 35 GLN CA C 53.977 0.1 1 302 35 35 GLN CB C 30.820 0.1 1 303 35 35 GLN CG C 33.294 0.1 1 304 35 35 GLN CD C 180.530 0.1 1 305 35 35 GLN N N 119.610 0.1 1 306 35 35 GLN NE2 N 112.267 0.1 1 307 36 36 ARG H H 8.777 0.01 1 308 36 36 ARG HA H 4.765 0.01 1 309 36 36 ARG HB2 H 1.778 0.01 2 310 36 36 ARG HB3 H 1.778 0.01 2 311 36 36 ARG HG2 H 1.528 0.01 2 312 36 36 ARG HG3 H 1.603 0.01 2 313 36 36 ARG HD2 H 3.011 0.01 2 314 36 36 ARG HD3 H 3.011 0.01 2 315 36 36 ARG C C 175.984 0.1 1 316 36 36 ARG CA C 56.488 0.1 1 317 36 36 ARG CB C 30.773 0.1 1 318 36 36 ARG CG C 27.346 0.1 1 319 36 36 ARG CD C 43.267 0.1 1 320 36 36 ARG N N 126.052 0.1 1 321 37 37 GLN H H 8.894 0.01 1 322 37 37 GLN HA H 4.635 0.01 1 323 37 37 GLN HB2 H 1.944 0.01 2 324 37 37 GLN HB3 H 1.944 0.01 2 325 37 37 GLN HG2 H 2.086 0.01 2 326 37 37 GLN HG3 H 2.200 0.01 2 327 37 37 GLN HE21 H 6.847 0.01 2 328 37 37 GLN HE22 H 7.324 0.01 2 329 37 37 GLN C C 174.601 0.1 1 330 37 37 GLN CA C 54.768 0.1 1 331 37 37 GLN CB C 31.775 0.1 1 332 37 37 GLN CG C 33.553 0.1 1 333 37 37 GLN CD C 180.005 0.1 1 334 37 37 GLN N N 126.078 0.1 1 335 37 37 GLN NE2 N 111.326 0.1 1 336 38 38 SER H H 8.266 0.01 1 337 38 38 SER HA H 5.518 0.01 1 338 38 38 SER HB2 H 3.342 0.01 2 339 38 38 SER HB3 H 3.594 0.01 2 340 38 38 SER C C 173.661 0.1 1 341 38 38 SER CA C 58.005 0.1 1 342 38 38 SER CB C 64.528 0.1 1 343 38 38 SER N N 118.310 0.1 1 344 39 39 PHE H H 9.167 0.01 1 345 39 39 PHE HA H 5.048 0.01 1 346 39 39 PHE HB2 H 2.479 0.01 2 347 39 39 PHE HB3 H 2.698 0.01 2 348 39 39 PHE HD1 H 6.811 0.01 3 349 39 39 PHE HD2 H 6.811 0.01 3 350 39 39 PHE HE1 H 7.234 0.01 3 351 39 39 PHE HE2 H 7.234 0.01 3 352 39 39 PHE HZ H 7.184 0.01 1 353 39 39 PHE C C 175.788 0.1 1 354 39 39 PHE CA C 56.427 0.1 1 355 39 39 PHE N N 121.610 0.1 1 356 40 40 TYR H H 9.212 0.01 1 357 40 40 TYR HA H 4.942 0.01 1 358 40 40 TYR HB2 H 2.736 0.01 2 359 40 40 TYR HB3 H 2.782 0.01 2 360 40 40 TYR HD1 H 6.904 0.01 3 361 40 40 TYR HD2 H 6.904 0.01 3 362 40 40 TYR HE1 H 7.055 0.01 3 363 40 40 TYR HE2 H 7.055 0.01 3 364 40 40 TYR C C 176.949 0.1 1 365 40 40 TYR CA C 58.509 0.1 1 366 40 40 TYR N N 119.587 0.1 1 367 41 41 VAL H H 8.473 0.01 1 368 41 41 VAL HA H 4.527 0.01 1 369 41 41 VAL HB H 1.843 0.01 1 370 41 41 VAL HG1 H 0.700 0.01 2 371 41 41 VAL HG2 H 0.787 0.01 2 372 41 41 VAL CA C 61.900 0.1 1 373 41 41 VAL CG1 C 20.934 0.1 2 374 41 41 VAL CG2 C 21.019 0.1 2 375 41 41 VAL N N 116.869 0.1 1 376 42 42 LEU HA H 4.928 0.01 1 377 42 42 LEU HB2 H 0.890 0.01 2 378 42 42 LEU HB3 H 1.770 0.01 2 379 42 42 LEU HG H 1.117 0.01 1 380 42 42 LEU HD1 H 0.499 0.01 2 381 42 42 LEU HD2 H 0.651 0.01 2 382 42 42 LEU C C 174.327 0.1 1 383 42 42 LEU CA C 52.816 0.1 1 384 42 42 LEU CB C 46.256 0.1 1 385 42 42 LEU CG C 27.312 0.1 1 386 42 42 LEU CD1 C 24.850 0.1 2 387 42 42 LEU CD2 C 27.294 0.1 2 388 43 43 ARG H H 9.072 0.01 1 389 43 43 ARG HA H 5.073 0.01 1 390 43 43 ARG HB2 H 1.451 0.01 2 391 43 43 ARG HB3 H 2.063 0.01 2 392 43 43 ARG HG2 H 1.221 0.01 2 393 43 43 ARG HG3 H 1.294 0.01 2 394 43 43 ARG HD2 H 3.102 0.01 2 395 43 43 ARG HD3 H 3.319 0.01 2 396 43 43 ARG C C 175.766 0.1 1 397 43 43 ARG CA C 53.825 0.1 1 398 43 43 ARG CD C 43.344 0.1 1 399 43 43 ARG N N 127.400 0.1 1 400 44 44 ILE H H 9.336 0.01 1 401 44 44 ILE HA H 4.148 0.01 1 402 44 44 ILE HB H 2.575 0.01 1 403 44 44 ILE HG12 H 1.277 0.01 2 404 44 44 ILE HG13 H 1.528 0.01 2 405 44 44 ILE HG2 H 1.024 0.01 1 406 44 44 ILE HD1 H 0.440 0.01 1 407 44 44 ILE C C 177.841 0.1 1 408 44 44 ILE CA C 59.229 0.1 1 409 44 44 ILE CG2 C 18.317 0.1 1 410 44 44 ILE CD1 C 8.852 0.1 1 411 44 44 ILE N N 130.131 0.1 1 412 45 45 LEU H H 8.530 0.01 1 413 45 45 LEU HA H 4.017 0.01 1 414 45 45 LEU HB2 H 1.571 0.01 2 415 45 45 LEU HB3 H 1.756 0.01 2 416 45 45 LEU HG H 1.728 0.01 1 417 45 45 LEU HD1 H 0.879 0.01 2 418 45 45 LEU HD2 H 0.895 0.01 2 419 45 45 LEU C C 180.384 0.1 1 420 45 45 LEU CA C 58.506 0.1 1 421 45 45 LEU CB C 41.000 0.1 1 422 45 45 LEU CG C 28.000 0.1 1 423 45 45 LEU N N 128.037 0.1 1 424 46 46 GLU H H 8.913 0.01 1 425 46 46 GLU HA H 4.046 0.01 1 426 46 46 GLU HB2 H 1.859 0.01 2 427 46 46 GLU HB3 H 2.138 0.01 2 428 46 46 GLU HG2 H 2.252 0.01 2 429 46 46 GLU HG3 H 2.252 0.01 2 430 46 46 GLU C C 176.459 0.1 1 431 46 46 GLU CA C 59.217 0.1 1 432 46 46 GLU CB C 29.788 0.1 1 433 46 46 GLU CG C 35.773 0.1 1 434 46 46 GLU N N 117.190 0.1 1 435 47 47 ASN H H 6.649 0.01 1 436 47 47 ASN HA H 4.920 0.01 1 437 47 47 ASN HB2 H 2.736 0.01 2 438 47 47 ASN HB3 H 3.135 0.01 2 439 47 47 ASN HD21 H 6.785 0.01 2 440 47 47 ASN HD22 H 7.470 0.01 2 441 47 47 ASN C C 176.773 0.1 1 442 47 47 ASN CA C 51.978 0.1 1 443 47 47 ASN CB C 39.938 0.1 1 444 47 47 ASN CG C 175.839 0.1 1 445 47 47 ASN N N 109.090 0.1 1 446 47 47 ASN ND2 N 110.072 0.1 1 447 48 48 GLY H H 8.284 0.01 1 448 48 48 GLY HA2 H 3.694 0.01 2 449 48 48 GLY HA3 H 4.096 0.01 2 450 48 48 GLY C C 174.122 0.1 1 451 48 48 GLY CA C 46.288 0.1 1 452 48 48 GLY N N 110.223 0.1 1 453 49 49 MET H H 8.156 0.01 1 454 49 49 MET HA H 4.127 0.01 1 455 49 49 MET HB2 H 1.966 0.01 2 456 49 49 MET HB3 H 1.966 0.01 2 457 49 49 MET HG2 H 2.276 0.01 2 458 49 49 MET HG3 H 2.364 0.01 2 459 49 49 MET HE H 1.918 0.01 1 460 49 49 MET CA C 56.889 0.1 1 461 49 49 MET CB C 31.994 0.1 1 462 49 49 MET CG C 31.991 0.1 1 463 49 49 MET CE C 16.809 0.1 1 464 49 49 MET N N 121.876 0.1 1 465 50 50 ARG HA H 5.156 0.01 1 466 50 50 ARG HB2 H 1.450 0.01 2 467 50 50 ARG HB3 H 1.686 0.01 2 468 50 50 ARG HG2 H 1.221 0.01 2 469 50 50 ARG HG3 H 1.221 0.01 2 470 50 50 ARG HD2 H 3.069 0.01 2 471 50 50 ARG HD3 H 3.069 0.01 2 472 50 50 ARG CA C 54.008 0.1 1 473 50 50 ARG CG C 27.906 0.1 1 474 51 51 ILE H H 9.140 0.01 1 475 51 51 ILE HA H 4.264 0.01 1 476 51 51 ILE HB H 1.461 0.01 1 477 51 51 ILE HG12 H 0.754 0.01 2 478 51 51 ILE HG13 H 1.221 0.01 2 479 51 51 ILE HG2 H 0.618 0.01 1 480 51 51 ILE HD1 H 0.280 0.01 1 481 51 51 ILE C C 174.053 0.1 1 482 51 51 ILE CB C 41.670 0.1 1 483 51 51 ILE CG2 C 17.623 0.1 1 484 51 51 ILE CD1 C 13.491 0.1 1 485 51 51 ILE N N 124.158 0.1 1 486 52 52 MET H H 8.059 0.01 1 487 52 52 MET HA H 5.251 0.01 1 488 52 52 MET HB2 H 1.436 0.01 2 489 52 52 MET HB3 H 1.711 0.01 2 490 52 52 MET HE H 1.325 0.01 1 491 52 52 MET C C 175.919 0.1 1 492 52 52 MET CA C 53.896 0.1 1 493 52 52 MET CE C 16.281 0.1 1 494 52 52 MET N N 118.924 0.1 1 495 53 53 ILE H H 9.402 0.01 1 496 53 53 ILE HA H 4.873 0.01 1 497 53 53 ILE HB H 2.000 0.01 1 498 53 53 ILE HG12 H 1.169 0.01 2 499 53 53 ILE HG13 H 1.552 0.01 2 500 53 53 ILE HG2 H 1.069 0.01 1 501 53 53 ILE HD1 H 0.780 0.01 1 502 53 53 ILE CA C 57.974 0.1 1 503 53 53 ILE CG2 C 18.076 0.1 1 504 53 53 ILE CD1 C 16.373 0.1 1 505 53 53 ILE N N 125.559 0.1 1 506 54 54 PRO HA H 4.292 0.01 1 507 54 54 PRO HB2 H 1.845 0.01 2 508 54 54 PRO HB3 H 2.226 0.01 2 509 54 54 PRO HD2 H 3.807 0.01 2 510 54 54 PRO HD3 H 4.188 0.01 2 511 54 54 PRO C C 178.384 0.1 1 512 55 55 ILE H H 7.872 0.01 1 513 55 55 ILE HA H 3.854 0.01 1 514 55 55 ILE HB H 1.530 0.01 1 515 55 55 ILE HG12 H 0.657 0.01 2 516 55 55 ILE HG13 H 1.202 0.01 2 517 55 55 ILE HG2 H 0.560 0.01 1 518 55 55 ILE HD1 H 0.462 0.01 1 519 55 55 ILE CA C 64.702 0.1 1 520 55 55 ILE CB C 37.804 0.1 1 521 55 55 ILE CG1 C 27.206 0.1 1 522 55 55 ILE CG2 C 16.927 0.1 1 523 55 55 ILE CD1 C 13.569 0.1 1 524 55 55 ILE N N 121.976 0.1 1 525 56 56 ASN HA H 4.792 0.01 1 526 56 56 ASN HB2 H 2.880 0.01 2 527 56 56 ASN HB3 H 2.990 0.01 2 528 56 56 ASN HD21 H 6.905 0.01 2 529 56 56 ASN HD22 H 7.642 0.01 2 530 56 56 ASN CA C 53.385 0.1 1 531 56 56 ASN CB C 37.930 0.1 1 532 56 56 ASN CG C 177.218 0.1 1 533 56 56 ASN ND2 N 111.842 0.1 1 534 58 58 VAL H H 7.594 0.01 1 535 58 58 VAL N N 120.118 0.1 1 536 59 59 GLY H H 8.762 0.01 1 537 59 59 GLY HA2 H 4.018 0.01 2 538 59 59 GLY HA3 H 4.018 0.01 2 539 59 59 GLY N N 109.012 0.1 1 540 60 60 SER HA H 4.474 0.01 1 541 60 60 SER HB2 H 3.956 0.01 2 542 60 60 SER HB3 H 3.956 0.01 2 543 60 60 SER C C 178.615 0.1 1 544 60 60 SER CA C 59.315 0.1 1 545 60 60 SER CB C 63.762 0.1 1 546 61 61 VAL H H 7.743 0.01 1 547 61 61 VAL C C 176.334 0.1 1 548 61 61 VAL N N 118.395 0.1 1 549 62 62 GLY H H 8.706 0.01 1 550 62 62 GLY C C 173.846 0.1 1 551 62 62 GLY CA C 45.301 0.1 1 552 62 62 GLY N N 113.312 0.1 1 553 63 63 LEU H H 8.047 0.01 1 554 63 63 LEU HA H 4.544 0.01 1 555 63 63 LEU HG H 1.244 0.01 1 556 63 63 LEU HD1 H 0.351 0.01 2 557 63 63 LEU HD2 H 0.484 0.01 2 558 63 63 LEU CA C 55.156 0.1 1 559 63 63 LEU CG C 27.000 0.1 1 560 63 63 LEU CD1 C 25.077 0.1 2 561 63 63 LEU CD2 C 25.084 0.1 2 562 63 63 LEU N N 121.629 0.1 1 563 64 64 ARG HA H 5.125 0.01 1 564 64 64 ARG HE H 7.371 0.01 1 565 64 64 ARG C C 174.821 0.1 1 566 64 64 ARG NE N 85.116 0.1 1 567 65 65 GLU H H 8.995 0.01 1 568 65 65 GLU HA H 4.596 0.01 1 569 65 65 GLU HB2 H 2.048 0.01 2 570 65 65 GLU HB3 H 2.048 0.01 2 571 65 65 GLU HG2 H 2.423 0.01 2 572 65 65 GLU HG3 H 2.423 0.01 2 573 65 65 GLU C C 175.082 0.1 1 574 65 65 GLU CA C 56.516 0.1 1 575 65 65 GLU CB C 30.320 0.1 1 576 65 65 GLU CG C 36.813 0.1 1 577 65 65 GLU N N 121.376 0.1 1 578 66 66 ILE H H 8.323 0.01 1 579 66 66 ILE HA H 4.182 0.01 1 580 66 66 ILE HG2 H 1.068 0.01 1 581 66 66 ILE CA C 60.707 0.1 1 582 66 66 ILE CG2 C 17.361 0.1 1 583 66 66 ILE N N 121.817 0.1 1 584 67 67 ILE HA H 4.266 0.01 1 585 67 67 ILE HG2 H 1.010 0.01 1 586 67 67 ILE HD1 H 0.678 0.01 1 587 67 67 ILE C C 174.520 0.1 1 588 67 67 ILE CG2 C 18.076 0.1 1 589 67 67 ILE CD1 C 14.731 0.1 1 590 68 68 SER H H 8.712 0.01 1 591 68 68 SER HA H 4.629 0.01 1 592 68 68 SER HB2 H 4.111 0.01 2 593 68 68 SER HB3 H 4.410 0.01 2 594 68 68 SER C C 175.541 0.1 1 595 68 68 SER CA C 57.064 0.1 1 596 68 68 SER CB C 66.213 0.1 1 597 68 68 SER N N 115.553 0.1 1 598 69 69 GLU H H 8.914 0.01 1 599 69 69 GLU HA H 3.903 0.01 1 600 69 69 GLU HB2 H 2.092 0.01 2 601 69 69 GLU HB3 H 2.207 0.01 2 602 69 69 GLU HG2 H 2.291 0.01 2 603 69 69 GLU HG3 H 2.391 0.01 2 604 69 69 GLU C C 179.509 0.1 1 605 69 69 GLU CA C 60.299 0.1 1 606 69 69 GLU CB C 29.429 0.1 1 607 69 69 GLU CG C 36.600 0.1 1 608 69 69 GLU N N 120.625 0.1 1 609 70 70 GLU H H 8.503 0.01 1 610 70 70 GLU HA H 4.092 0.01 1 611 70 70 GLU HB2 H 2.043 0.01 2 612 70 70 GLU HB3 H 2.043 0.01 2 613 70 70 GLU HG2 H 2.374 0.01 2 614 70 70 GLU HG3 H 2.374 0.01 2 615 70 70 GLU C C 179.093 0.1 1 616 70 70 GLU CA C 59.466 0.1 1 617 70 70 GLU N N 119.431 0.1 1 618 71 71 ASP H H 7.888 0.01 1 619 71 71 ASP HA H 4.697 0.01 1 620 71 71 ASP HB2 H 2.668 0.01 2 621 71 71 ASP HB3 H 3.333 0.01 2 622 71 71 ASP C C 178.709 0.1 1 623 71 71 ASP CA C 57.139 0.1 1 624 71 71 ASP N N 121.516 0.1 1 625 72 72 VAL H H 8.172 0.01 1 626 72 72 VAL HA H 3.324 0.01 1 627 72 72 VAL HB H 2.378 0.01 1 628 72 72 VAL HG1 H 0.893 0.01 2 629 72 72 VAL HG2 H 1.032 0.01 2 630 72 72 VAL C C 179.020 0.1 1 631 72 72 VAL CA C 67.324 0.1 1 632 72 72 VAL CB C 31.500 0.1 1 633 72 72 VAL CG1 C 22.286 0.1 2 634 72 72 VAL CG2 C 24.091 0.1 2 635 72 72 VAL N N 121.114 0.1 1 636 73 73 LYS H H 7.689 0.01 1 637 73 73 LYS HA H 4.030 0.01 1 638 73 73 LYS HB2 H 1.988 0.01 2 639 73 73 LYS HB3 H 1.988 0.01 2 640 73 73 LYS HD2 H 1.701 0.01 2 641 73 73 LYS HD3 H 1.701 0.01 2 642 73 73 LYS C C 179.908 0.1 1 643 73 73 LYS CA C 59.814 0.1 1 644 73 73 LYS CB C 32.349 0.1 1 645 73 73 LYS N N 118.715 0.1 1 646 74 74 GLN H H 8.107 0.01 1 647 74 74 GLN HA H 4.280 0.01 1 648 74 74 GLN HB2 H 2.366 0.01 2 649 74 74 GLN HB3 H 2.366 0.01 2 650 74 74 GLN HG2 H 2.263 0.01 2 651 74 74 GLN HG3 H 2.385 0.01 2 652 74 74 GLN HE21 H 6.621 0.01 2 653 74 74 GLN HE22 H 7.026 0.01 2 654 74 74 GLN C C 178.553 0.1 1 655 74 74 GLN CA C 58.600 0.1 1 656 74 74 GLN CB C 28.049 0.1 1 657 74 74 GLN CG C 33.236 0.1 1 658 74 74 GLN CD C 179.101 0.1 1 659 74 74 GLN N N 119.379 0.1 1 660 74 74 GLN NE2 N 110.030 0.1 1 661 75 75 VAL H H 8.388 0.01 1 662 75 75 VAL HA H 3.594 0.01 1 663 75 75 VAL HB H 2.481 0.01 1 664 75 75 VAL HG1 H 0.837 0.01 2 665 75 75 VAL HG2 H 0.906 0.01 2 666 75 75 VAL C C 177.744 0.1 1 667 75 75 VAL CA C 67.820 0.1 1 668 75 75 VAL CB C 31.492 0.1 1 669 75 75 VAL CG1 C 22.594 0.1 2 670 75 75 VAL CG2 C 24.818 0.1 2 671 75 75 VAL N N 120.847 0.1 1 672 76 76 TYR H H 8.402 0.01 1 673 76 76 TYR HA H 4.022 0.01 1 674 76 76 TYR HB2 H 2.810 0.01 2 675 76 76 TYR HB3 H 3.092 0.01 2 676 76 76 TYR HD1 H 7.123 0.01 3 677 76 76 TYR HD2 H 7.123 0.01 3 678 76 76 TYR HE1 H 6.556 0.01 3 679 76 76 TYR HE2 H 6.556 0.01 3 680 76 76 TYR C C 177.670 0.1 1 681 76 76 TYR CA C 62.973 0.1 1 682 76 76 TYR N N 118.200 0.1 1 683 77 77 SER H H 8.008 0.01 1 684 77 77 SER HA H 4.152 0.01 1 685 77 77 SER HB2 H 4.048 0.01 2 686 77 77 SER HB3 H 4.048 0.01 2 687 77 77 SER C C 177.173 0.1 1 688 77 77 SER CA C 62.739 0.1 1 689 77 77 SER CB C 62.900 0.1 1 690 77 77 SER N N 114.379 0.1 1 691 78 78 ILE H H 7.983 0.01 1 692 78 78 ILE HA H 3.818 0.01 1 693 78 78 ILE HB H 2.118 0.01 1 694 78 78 ILE HG12 H 1.966 0.01 2 695 78 78 ILE HG13 H 1.966 0.01 2 696 78 78 ILE HG2 H 0.910 0.01 1 697 78 78 ILE HD1 H 1.126 0.01 1 698 78 78 ILE C C 179.193 0.1 1 699 78 78 ILE CA C 65.385 0.1 1 700 78 78 ILE CB C 38.591 0.1 1 701 78 78 ILE CG2 C 17.455 0.1 1 702 78 78 ILE CD1 C 15.333 0.1 1 703 78 78 ILE N N 122.827 0.1 1 704 79 79 LEU H H 8.165 0.01 1 705 79 79 LEU HA H 3.981 0.01 1 706 79 79 LEU HB2 H 1.350 0.01 2 707 79 79 LEU HB3 H 2.033 0.01 2 708 79 79 LEU HG H 2.038 0.01 1 709 79 79 LEU HD1 H 0.500 0.01 2 710 79 79 LEU HD2 H 1.082 0.01 2 711 79 79 LEU C C 176.299 0.1 1 712 79 79 LEU CA C 58.127 0.1 1 713 79 79 LEU CD1 C 25.912 0.1 2 714 79 79 LEU CD2 C 23.478 0.1 2 715 79 79 LEU N N 117.375 0.1 1 716 80 80 LYS H H 7.380 0.01 1 717 80 80 LYS HA H 3.860 0.01 1 718 80 80 LYS HB2 H 1.668 0.01 2 719 80 80 LYS HB3 H 2.019 0.01 2 720 80 80 LYS HG2 H 1.352 0.01 2 721 80 80 LYS HG3 H 1.352 0.01 2 722 80 80 LYS C C 176.582 0.1 1 723 80 80 LYS CA C 56.931 0.1 1 724 80 80 LYS CG C 26.286 0.1 1 725 80 80 LYS N N 111.544 0.1 1 726 81 81 GLU H H 7.235 0.01 1 727 81 81 GLU HA H 4.063 0.01 1 728 81 81 GLU HB2 H 2.139 0.01 2 729 81 81 GLU HB3 H 2.139 0.01 2 730 81 81 GLU HG2 H 2.404 0.01 2 731 81 81 GLU HG3 H 2.404 0.01 2 732 81 81 GLU C C 176.379 0.1 1 733 81 81 GLU CA C 57.929 0.1 1 734 81 81 GLU CG C 36.374 0.1 1 735 81 81 GLU N N 122.214 0.1 1 736 82 82 LYS H H 8.289 0.01 1 737 82 82 LYS HA H 4.602 0.01 1 738 82 82 LYS HB2 H 1.762 0.01 2 739 82 82 LYS HB3 H 1.946 0.01 2 740 82 82 LYS HG2 H 1.481 0.01 2 741 82 82 LYS HG3 H 1.529 0.01 2 742 82 82 LYS HD2 H 1.693 0.01 2 743 82 82 LYS HD3 H 1.693 0.01 2 744 82 82 LYS HE2 H 3.007 0.01 2 745 82 82 LYS HE3 H 3.007 0.01 2 746 82 82 LYS C C 176.701 0.1 1 747 82 82 LYS CA C 55.394 0.1 1 748 82 82 LYS CB C 34.151 0.1 1 749 82 82 LYS CG C 24.317 0.1 1 750 82 82 LYS CD C 28.741 0.1 1 751 82 82 LYS N N 121.566 0.1 1 752 83 83 ASP H H 8.587 0.01 1 753 83 83 ASP HA H 4.761 0.01 1 754 83 83 ASP HB2 H 2.606 0.01 2 755 83 83 ASP HB3 H 2.776 0.01 2 756 83 83 ASP C C 175.229 0.1 1 757 83 83 ASP CA C 54.007 0.1 1 758 83 83 ASP CB C 40.249 0.1 1 759 83 83 ASP N N 121.690 0.1 1 760 84 84 ILE H H 7.750 0.01 1 761 84 84 ILE HA H 4.369 0.01 1 762 84 84 ILE HB H 1.899 0.01 1 763 84 84 ILE HG12 H 1.135 0.01 2 764 84 84 ILE HG13 H 1.355 0.01 2 765 84 84 ILE HG2 H 0.870 0.01 1 766 84 84 ILE HD1 H 0.835 0.01 1 767 84 84 ILE C C 176.006 0.1 1 768 84 84 ILE CA C 59.921 0.1 1 769 84 84 ILE CB C 39.539 0.1 1 770 84 84 ILE CG1 C 26.671 0.1 1 771 84 84 ILE CG2 C 17.801 0.1 1 772 84 84 ILE CD1 C 12.986 0.1 1 773 84 84 ILE N N 119.035 0.1 1 774 85 85 SER H H 8.691 0.01 1 775 85 85 SER HA H 4.572 0.01 1 776 85 85 SER HB2 H 3.845 0.01 2 777 85 85 SER HB3 H 3.845 0.01 2 778 85 85 SER C C 174.168 0.1 1 779 85 85 SER CA C 58.060 0.1 1 780 85 85 SER CB C 63.810 0.1 1 781 85 85 SER N N 120.007 0.1 1 782 86 86 VAL H H 8.094 0.01 1 783 86 86 VAL HA H 4.258 0.01 1 784 86 86 VAL HB H 2.070 0.01 1 785 86 86 VAL HG1 H 0.939 0.01 2 786 86 86 VAL HG2 H 0.942 0.01 2 787 86 86 VAL C C 174.625 0.1 1 788 86 86 VAL CA C 61.498 0.1 1 789 86 86 VAL CB C 33.364 0.1 1 790 86 86 VAL CG1 C 20.573 0.1 2 791 86 86 VAL CG2 C 21.288 0.1 2 792 86 86 VAL N N 122.253 0.1 1 793 87 87 ASP H H 8.267 0.01 1 794 87 87 ASP HA H 4.743 0.01 1 795 87 87 ASP HB2 H 2.766 0.01 2 796 87 87 ASP HB3 H 2.878 0.01 2 797 87 87 ASP C C 176.755 0.1 1 798 87 87 ASP CA C 53.370 0.1 1 799 87 87 ASP CB C 42.031 0.1 1 800 87 87 ASP N N 123.661 0.1 1 801 88 88 SER H H 8.734 0.01 1 802 88 88 SER HA H 4.261 0.01 1 803 88 88 SER HB2 H 3.939 0.01 2 804 88 88 SER HB3 H 3.999 0.01 2 805 88 88 SER C C 175.914 0.1 1 806 88 88 SER CA C 60.965 0.1 1 807 88 88 SER CB C 62.977 0.1 1 808 88 88 SER N N 117.132 0.1 1 809 89 89 THR H H 8.417 0.01 1 810 89 89 THR HA H 4.349 0.01 1 811 89 89 THR HB H 4.303 0.01 1 812 89 89 THR HG2 H 1.277 0.01 1 813 89 89 THR C C 176.108 0.1 1 814 89 89 THR CA C 64.143 0.1 1 815 89 89 THR CB C 69.173 0.1 1 816 89 89 THR CG2 C 21.704 0.1 1 817 89 89 THR N N 116.197 0.1 1 818 90 90 THR H H 8.082 0.01 1 819 90 90 THR HA H 4.296 0.01 1 820 90 90 THR HB H 4.422 0.01 1 821 90 90 THR HG2 H 1.282 0.01 1 822 90 90 THR C C 175.916 0.1 1 823 90 90 THR CA C 63.510 0.1 1 824 90 90 THR CB C 69.502 0.1 1 825 90 90 THR CG2 C 21.969 0.1 1 826 90 90 THR N N 115.558 0.1 1 827 91 91 TRP H H 8.442 0.01 1 828 91 91 TRP HA H 4.336 0.01 1 829 91 91 TRP HB2 H 3.243 0.01 2 830 91 91 TRP HB3 H 3.364 0.01 2 831 91 91 TRP HD1 H 7.149 0.01 1 832 91 91 TRP HE1 H 10.116 0.01 1 833 91 91 TRP HE3 H 7.470 0.01 1 834 91 91 TRP HZ2 H 7.262 0.01 1 835 91 91 TRP HZ3 H 6.918 0.01 1 836 91 91 TRP HH2 H 7.013 0.01 1 837 91 91 TRP C C 176.814 0.1 1 838 91 91 TRP CA C 60.459 0.1 1 839 91 91 TRP CB C 29.550 0.1 1 840 91 91 TRP CD2 C 139.1 0.1 1 841 91 91 TRP CE2 C 169.050 0.1 1 842 91 91 TRP N N 122.280 0.1 1 843 91 91 TRP NE1 N 128.807 0.1 1 844 92 92 ASN H H 8.435 0.01 1 845 92 92 ASN HA H 4.239 0.01 1 846 92 92 ASN HB2 H 2.765 0.01 2 847 92 92 ASN HB3 H 2.872 0.01 2 848 92 92 ASN HD21 H 7.048 0.01 2 849 92 92 ASN HD22 H 7.719 0.01 2 850 92 92 ASN C C 177.654 0.1 1 851 92 92 ASN CA C 56.487 0.1 1 852 92 92 ASN CB C 37.918 0.1 1 853 92 92 ASN CG C 176.439 0.1 1 854 92 92 ASN N N 115.040 0.1 1 855 92 92 ASN ND2 N 112.394 0.1 1 856 93 93 ARG H H 7.642 0.01 1 857 93 93 ARG HA H 4.119 0.01 1 858 93 93 ARG HB2 H 1.891 0.01 2 859 93 93 ARG HB3 H 1.891 0.01 2 860 93 93 ARG HG2 H 1.612 0.01 2 861 93 93 ARG HG3 H 1.707 0.01 2 862 93 93 ARG HD2 H 3.191 0.01 2 863 93 93 ARG HD3 H 3.191 0.01 2 864 93 93 ARG C C 178.001 0.1 1 865 93 93 ARG CA C 58.438 0.1 1 866 93 93 ARG CB C 30.030 0.1 1 867 93 93 ARG CG C 27.310 0.1 1 868 93 93 ARG CD C 43.327 0.1 1 869 93 93 ARG N N 118.551 0.1 1 870 94 94 ARG H H 7.862 0.01 1 871 94 94 ARG HA H 3.950 0.01 1 872 94 94 ARG HB2 H 1.391 0.01 2 873 94 94 ARG HB3 H 1.391 0.01 2 874 94 94 ARG HG2 H 1.247 0.01 2 875 94 94 ARG HG3 H 1.405 0.01 2 876 94 94 ARG HD2 H 3.017 0.01 2 877 94 94 ARG HD3 H 3.017 0.01 2 878 94 94 ARG HE H 7.172 0.01 1 879 94 94 ARG CA C 57.659 0.1 1 880 94 94 ARG CG C 27.175 0.1 1 881 94 94 ARG CD C 43.347 0.1 1 882 94 94 ARG N N 119.546 0.1 1 883 94 94 ARG NE N 84.437 0.1 1 884 95 95 TYR HA H 3.513 0.01 1 885 95 95 TYR HB2 H 2.373 0.01 2 886 95 95 TYR HB3 H 2.542 0.01 2 887 95 95 TYR HD1 H 6.925 0.01 3 888 95 95 TYR HD2 H 6.925 0.01 3 889 95 95 TYR HE1 H 6.766 0.01 3 890 95 95 TYR HE2 H 6.766 0.01 3 891 95 95 TYR C C 176.700 0.1 1 892 95 95 TYR CA C 61.700 0.1 1 893 95 95 TYR CB C 37.562 0.1 1 894 96 96 ARG H H 7.599 0.01 1 895 96 96 ARG HA H 3.747 0.01 1 896 96 96 ARG HB2 H 1.822 0.01 2 897 96 96 ARG HB3 H 1.822 0.01 2 898 96 96 ARG HG2 H 1.586 0.01 2 899 96 96 ARG HG3 H 1.729 0.01 2 900 96 96 ARG HD2 H 3.182 0.01 2 901 96 96 ARG HD3 H 3.182 0.01 2 902 96 96 ARG C C 179.703 0.1 1 903 96 96 ARG CA C 59.191 0.1 1 904 96 96 ARG CB C 29.444 0.1 1 905 96 96 ARG CG C 27.600 0.1 1 906 96 96 ARG CD C 43.155 0.1 1 907 96 96 ARG N N 116.648 0.1 1 908 97 97 GLU H H 7.667 0.01 1 909 97 97 GLU HA H 3.997 0.01 1 910 97 97 GLU HB2 H 1.943 0.01 2 911 97 97 GLU HB3 H 2.068 0.01 2 912 97 97 GLU HG2 H 2.088 0.01 2 913 97 97 GLU HG3 H 2.302 0.01 2 914 97 97 GLU C C 179.863 0.1 1 915 97 97 GLU CA C 59.079 0.1 1 916 97 97 GLU CB C 29.318 0.1 1 917 97 97 GLU CG C 36.268 0.1 1 918 97 97 GLU N N 120.006 0.1 1 919 98 98 TYR H H 8.602 0.01 1 920 98 98 TYR HA H 4.284 0.01 1 921 98 98 TYR HB2 H 3.017 0.01 2 922 98 98 TYR HB3 H 3.113 0.01 2 923 98 98 TYR HD1 H 6.742 0.01 3 924 98 98 TYR HD2 H 6.742 0.01 3 925 98 98 TYR HE1 H 6.742 0.01 3 926 98 98 TYR HE2 H 6.742 0.01 3 927 98 98 TYR C C 178.133 0.1 1 928 98 98 TYR CA C 58.823 0.1 1 929 98 98 TYR N N 120.323 0.1 1 930 99 99 MET H H 8.109 0.01 1 931 99 99 MET HA H 4.094 0.01 1 932 99 99 MET HB2 H 1.949 0.01 2 933 99 99 MET HB3 H 2.040 0.01 2 934 99 99 MET HG2 H 2.250 0.01 2 935 99 99 MET HG3 H 2.358 0.01 2 936 99 99 MET HE H 2.002 0.01 1 937 99 99 MET CA C 58.336 0.1 1 938 99 99 MET CB C 31.900 0.1 1 939 99 99 MET CG C 32.205 0.1 1 940 99 99 MET CE C 16.798 0.1 1 941 99 99 MET N N 117.957 0.1 1 942 100 100 GLU H H 7.589 0.01 1 943 100 100 GLU HA H 4.058 0.01 1 944 100 100 GLU HB2 H 2.092 0.01 2 945 100 100 GLU HB3 H 2.092 0.01 2 946 100 100 GLU HG2 H 2.292 0.01 2 947 100 100 GLU HG3 H 2.292 0.01 2 948 100 100 GLU CA C 58.600 0.1 1 949 100 100 GLU N N 117.597 0.1 1 950 101 101 LYS H H 8.017 0.01 1 951 101 101 LYS CA C 59.872 0.1 1 952 101 101 LYS N N 120.238 0.1 1 953 102 102 ILE H H 7.949 0.01 1 954 102 102 ILE HA H 3.697 0.01 1 955 102 102 ILE HB H 2.032 0.01 1 956 102 102 ILE HG12 H 1.235 0.01 2 957 102 102 ILE HG13 H 1.679 0.01 2 958 102 102 ILE HG2 H 0.846 0.01 1 959 102 102 ILE HD1 H 0.849 0.01 1 960 102 102 ILE C C 177.690 0.1 1 961 102 102 ILE CA C 64.207 0.1 1 962 102 102 ILE CB C 37.270 0.1 1 963 102 102 ILE CG1 C 28.609 0.1 1 964 102 102 ILE CG2 C 17.885 0.1 1 965 102 102 ILE CD1 C 13.472 0.1 1 966 102 102 ILE N N 117.637 0.1 1 967 103 103 LYS H H 7.682 0.01 1 968 103 103 LYS HA H 4.063 0.01 1 969 103 103 LYS HB2 H 1.929 0.01 2 970 103 103 LYS HB3 H 1.929 0.01 2 971 103 103 LYS C C 177.842 0.1 1 972 103 103 LYS CA C 58.903 0.1 1 973 103 103 LYS N N 118.665 0.1 1 974 104 104 THR H H 7.620 0.01 1 975 104 104 THR HA H 4.391 0.01 1 976 104 104 THR HB H 4.369 0.01 1 977 104 104 THR HG2 H 1.339 0.01 1 978 104 104 THR C C 177.103 0.1 1 979 104 104 THR CA C 63.183 0.1 1 980 104 104 THR CB C 70.631 0.1 1 981 104 104 THR CG2 C 21.474 0.1 1 982 104 104 THR N N 106.504 0.1 1 983 105 105 GLY H H 7.907 0.01 1 984 105 105 GLY HA2 H 4.026 0.01 2 985 105 105 GLY HA3 H 4.151 0.01 2 986 105 105 GLY C C 173.469 0.1 1 987 105 105 GLY CA C 45.765 0.1 1 988 105 105 GLY N N 109.010 0.1 1 989 106 106 SER H H 8.734 0.01 1 990 106 106 SER HA H 4.693 0.01 1 991 106 106 SER C C 175.459 0.1 1 992 106 106 SER CA C 56.820 0.1 1 993 106 106 SER N N 116.598 0.1 1 994 107 107 VAL H H 8.946 0.01 1 995 107 107 VAL HA H 3.735 0.01 1 996 107 107 VAL HB H 1.949 0.01 1 997 107 107 VAL HG1 H 0.499 0.01 2 998 107 107 VAL HG2 H 0.641 0.01 2 999 107 107 VAL C C 175.558 0.1 1 1000 107 107 VAL CA C 65.074 0.1 1 1001 107 107 VAL CB C 30.648 0.1 1 1002 107 107 VAL CG1 C 20.532 0.1 2 1003 107 107 VAL CG2 C 20.905 0.1 2 1004 107 107 VAL N N 120.572 0.1 1 1005 108 108 PHE H H 6.904 0.01 1 1006 108 108 PHE HA H 4.152 0.01 1 1007 108 108 PHE HB2 H 2.770 0.01 2 1008 108 108 PHE HB3 H 3.318 0.01 2 1009 108 108 PHE HD1 H 7.120 0.01 3 1010 108 108 PHE HD2 H 7.120 0.01 3 1011 108 108 PHE HE1 H 7.472 0.01 3 1012 108 108 PHE HE2 H 7.472 0.01 3 1013 108 108 PHE HZ H 7.311 0.01 1 1014 108 108 PHE C C 177.819 0.1 1 1015 108 108 PHE CA C 59.745 0.1 1 1016 108 108 PHE N N 119.119 0.1 1 1017 109 109 GLU H H 7.257 0.01 1 1018 109 109 GLU HA H 4.246 0.01 1 1019 109 109 GLU HB2 H 2.281 0.01 2 1020 109 109 GLU HB3 H 2.281 0.01 2 1021 109 109 GLU HG2 H 2.496 0.01 2 1022 109 109 GLU HG3 H 2.496 0.01 2 1023 109 109 GLU C C 179.013 0.1 1 1024 109 109 GLU CA C 59.042 0.1 1 1025 109 109 GLU N N 118.292 0.1 1 1026 110 110 ILE H H 8.335 0.01 1 1027 110 110 ILE HA H 3.390 0.01 1 1028 110 110 ILE HB H 1.721 0.01 1 1029 110 110 ILE HG2 H 0.917 0.01 1 1030 110 110 ILE HD1 H 0.765 0.01 1 1031 110 110 ILE C C 177.228 0.1 1 1032 110 110 ILE CA C 65.442 0.1 1 1033 110 110 ILE CB C 37.878 0.1 1 1034 110 110 ILE CG2 C 19.602 0.1 1 1035 110 110 ILE CD1 C 14.007 0.1 1 1036 110 110 ILE N N 119.355 0.1 1 1037 111 111 ALA H H 8.134 0.01 1 1038 111 111 ALA HA H 3.898 0.01 1 1039 111 111 ALA HB H 1.558 0.01 1 1040 111 111 ALA C C 177.950 0.1 1 1041 111 111 ALA CA C 55.642 0.1 1 1042 111 111 ALA CB C 18.286 0.1 1 1043 111 111 ALA N N 120.957 0.1 1 1044 112 112 GLU H H 7.286 0.01 1 1045 112 112 GLU HA H 3.594 0.01 1 1046 112 112 GLU HB2 H 2.112 0.01 2 1047 112 112 GLU HB3 H 2.249 0.01 2 1048 112 112 GLU HG2 H 2.103 0.01 2 1049 112 112 GLU HG3 H 2.659 0.01 2 1050 112 112 GLU C C 177.162 0.1 1 1051 112 112 GLU CA C 60.226 0.1 1 1052 112 112 GLU CB C 29.734 0.1 1 1053 112 112 GLU CG C 37.015 0.1 1 1054 112 112 GLU N N 116.611 0.1 1 1055 113 113 VAL H H 7.375 0.01 1 1056 113 113 VAL HA H 3.157 0.01 1 1057 113 113 VAL HB H 2.074 0.01 1 1058 113 113 VAL HG1 H 0.659 0.01 2 1059 113 113 VAL HG2 H 0.930 0.01 2 1060 113 113 VAL C C 176.756 0.1 1 1061 113 113 VAL CA C 66.598 0.1 1 1062 113 113 VAL CG1 C 21.175 0.1 2 1063 113 113 VAL N N 117.395 0.1 1 1064 114 114 LEU H H 8.086 0.01 1 1065 114 114 LEU HA H 3.579 0.01 1 1066 114 114 LEU HB2 H 1.355 0.01 2 1067 114 114 LEU HB3 H 1.754 0.01 2 1068 114 114 LEU HG H 1.511 0.01 1 1069 114 114 LEU HD1 H 0.746 0.01 2 1070 114 114 LEU HD2 H 0.880 0.01 2 1071 114 114 LEU C C 176.870 0.1 1 1072 114 114 LEU CA C 58.373 0.1 1 1073 114 114 LEU CD1 C 25.858 0.1 2 1074 114 114 LEU CD2 C 27.317 0.1 2 1075 114 114 LEU N N 117.816 0.1 1 1076 115 115 ARG H H 8.182 0.01 1 1077 115 115 ARG HA H 4.146 0.01 1 1078 115 115 ARG HB2 H 2.118 0.01 2 1079 115 115 ARG HB3 H 2.232 0.01 2 1080 115 115 ARG HG2 H 1.573 0.01 2 1081 115 115 ARG HG3 H 2.474 0.01 2 1082 115 115 ARG HD2 H 3.491 0.01 2 1083 115 115 ARG HD3 H 3.741 0.01 2 1084 115 115 ARG HE H 6.988 0.01 1 1085 115 115 ARG C C 177.880 0.1 1 1086 115 115 ARG CA C 59.056 0.1 1 1087 115 115 ARG CD C 43.182 0.1 1 1088 115 115 ARG N N 116.428 0.1 1 1089 115 115 ARG NE N 84.260 0.1 1 1090 116 116 ASP H H 8.496 0.01 1 1091 116 116 ASP HA H 4.284 0.01 1 1092 116 116 ASP HB2 H 2.695 0.01 2 1093 116 116 ASP HB3 H 2.921 0.01 2 1094 116 116 ASP C C 178.679 0.1 1 1095 116 116 ASP CA C 57.839 0.1 1 1096 116 116 ASP N N 119.358 0.1 1 1097 117 117 LEU H H 8.176 0.01 1 1098 117 117 LEU HA H 3.807 0.01 1 1099 117 117 LEU HB3 H 1.806 0.01 2 1100 117 117 LEU HG H 1.620 0.01 1 1101 117 117 LEU HD1 H 0.713 0.01 2 1102 117 117 LEU HD2 H 0.759 0.01 2 1103 117 117 LEU C C 179.459 0.1 1 1104 117 117 LEU CA C 58.410 0.1 1 1105 117 117 LEU CG C 27.453 0.1 1 1106 117 117 LEU CD1 C 26.298 0.1 2 1107 117 117 LEU CD2 C 23.800 0.1 2 1108 117 117 LEU N N 119.446 0.1 1 1109 118 118 TYR H H 7.932 0.01 1 1110 118 118 TYR HA H 4.175 0.01 1 1111 118 118 TYR HB2 H 2.379 0.01 2 1112 118 118 TYR HB3 H 2.586 0.01 2 1113 118 118 TYR HD1 H 6.358 0.01 3 1114 118 118 TYR HD2 H 6.358 0.01 3 1115 118 118 TYR HE1 H 6.311 0.01 3 1116 118 118 TYR HE2 H 6.311 0.01 3 1117 118 118 TYR C C 180.125 0.1 1 1118 118 118 TYR CA C 61.874 0.1 1 1119 118 118 TYR N N 118.115 0.1 1 1120 119 119 LEU H H 8.772 0.01 1 1121 119 119 LEU HA H 4.278 0.01 1 1122 119 119 LEU HB2 H 1.547 0.01 2 1123 119 119 LEU HB3 H 2.031 0.01 2 1124 119 119 LEU HG H 2.207 0.01 1 1125 119 119 LEU HD1 H 1.096 0.01 2 1126 119 119 LEU HD2 H 1.084 0.01 2 1127 119 119 LEU C C 180.084 0.1 1 1128 119 119 LEU CA C 57.761 0.1 1 1129 119 119 LEU CB C 41.818 0.1 1 1130 119 119 LEU CG C 26.950 0.1 1 1131 119 119 LEU CD1 C 22.636 0.1 2 1132 119 119 LEU CD2 C 26.063 0.1 2 1133 119 119 LEU N N 119.509 0.1 1 1134 120 120 LEU H H 8.395 0.01 1 1135 120 120 LEU HA H 4.175 0.01 1 1136 120 120 LEU HB2 H 1.539 0.01 2 1137 120 120 LEU HB3 H 1.633 0.01 2 1138 120 120 LEU HG H 1.539 0.01 1 1139 120 120 LEU HD1 H 0.604 0.01 2 1140 120 120 LEU HD2 H 0.737 0.01 2 1141 120 120 LEU C C 178.233 0.1 1 1142 120 120 LEU CA C 56.882 0.1 1 1143 120 120 LEU CB C 42.500 0.1 1 1144 120 120 LEU CG C 26.204 0.1 1 1145 120 120 LEU CD1 C 24.078 0.1 2 1146 120 120 LEU CD2 C 24.215 0.1 2 1147 120 120 LEU N N 119.953 0.1 1 1148 121 121 LYS H H 7.884 0.01 1 1149 121 121 LYS HA H 4.293 0.01 1 1150 121 121 LYS HB2 H 1.813 0.01 2 1151 121 121 LYS HB3 H 1.813 0.01 2 1152 121 121 LYS C C 177.465 0.1 1 1153 121 121 LYS CA C 56.818 0.1 1 1154 121 121 LYS N N 117.912 0.1 1 1155 122 122 GLY H H 8.025 0.01 1 1156 122 122 GLY HA2 H 4.011 0.01 2 1157 122 122 GLY HA3 H 4.011 0.01 2 1158 122 122 GLY C C 173.164 0.1 1 1159 122 122 GLY CA C 45.954 0.1 1 1160 122 122 GLY N N 107.277 0.1 1 1161 123 123 ASP H H 8.164 0.01 1 1162 123 123 ASP HA H 4.714 0.01 1 1163 123 123 ASP HB2 H 2.617 0.01 2 1164 123 123 ASP HB3 H 2.747 0.01 2 1165 123 123 ASP C C 176.440 0.1 1 1166 123 123 ASP CA C 54.173 0.1 1 1167 123 123 ASP CB C 42.384 0.1 1 1168 123 123 ASP N N 118.419 0.1 1 1169 124 124 LYS H H 8.097 0.01 1 1170 124 124 LYS HA H 4.438 0.01 1 1171 124 124 LYS HB2 H 1.796 0.01 2 1172 124 124 LYS HB3 H 1.796 0.01 2 1173 124 124 LYS HG2 H 1.358 0.01 2 1174 124 124 LYS HG3 H 1.409 0.01 2 1175 124 124 LYS HD2 H 1.635 0.01 2 1176 124 124 LYS HD3 H 1.635 0.01 2 1177 124 124 LYS HE2 H 2.989 0.01 2 1178 124 124 LYS HE3 H 2.989 0.01 2 1179 124 124 LYS C C 175.364 0.1 1 1180 124 124 LYS CA C 55.831 0.1 1 1181 124 124 LYS CB C 33.989 0.1 1 1182 124 124 LYS CG C 24.184 0.1 1 1183 124 124 LYS CD C 28.984 0.1 1 1184 124 124 LYS CE C 41.781 0.1 1 1185 124 124 LYS N N 119.040 0.1 1 1186 125 125 ASP H H 8.225 0.01 1 1187 125 125 ASP HA H 4.651 0.01 1 1188 125 125 ASP HB2 H 2.504 0.01 2 1189 125 125 ASP HB3 H 2.706 0.01 2 1190 125 125 ASP C C 175.987 0.1 1 1191 125 125 ASP CA C 54.025 0.1 1 1192 125 125 ASP CB C 40.864 0.1 1 1193 125 125 ASP N N 119.376 0.1 1 1194 126 126 LEU H H 8.001 0.01 1 1195 126 126 LEU HA H 4.457 0.01 1 1196 126 126 LEU HB2 H 1.610 0.01 2 1197 126 126 LEU HB3 H 1.610 0.01 2 1198 126 126 LEU HG H 1.520 0.01 1 1199 126 126 LEU HD1 H 0.698 0.01 2 1200 126 126 LEU HD2 H 0.716 0.01 2 1201 126 126 LEU C C 178.052 0.1 1 1202 126 126 LEU CA C 54.447 0.1 1 1203 126 126 LEU CB C 43.000 0.1 1 1204 126 126 LEU CD1 C 22.692 0.1 2 1205 126 126 LEU CD2 C 26.521 0.1 2 1206 126 126 LEU N N 121.715 0.1 1 1207 127 127 SER H H 9.293 0.01 1 1208 127 127 SER HA H 4.478 0.01 1 1209 127 127 SER HB2 H 4.049 0.01 2 1210 127 127 SER HB3 H 4.292 0.01 2 1211 127 127 SER CA C 57.334 0.1 1 1212 127 127 SER N N 120.194 0.1 1 1213 128 128 PHE HA H 4.202 0.01 1 1214 128 128 PHE HB2 H 3.072 0.01 2 1215 128 128 PHE HB3 H 3.270 0.01 2 1216 128 128 PHE HD1 H 7.281 0.01 3 1217 128 128 PHE HD2 H 7.281 0.01 3 1218 128 128 PHE HE1 H 7.372 0.01 3 1219 128 128 PHE HE2 H 7.372 0.01 3 1220 128 128 PHE C C 178.370 0.1 1 1221 128 128 PHE CA C 61.898 0.1 1 1222 128 128 PHE CB C 38.881 0.1 1 1223 129 129 GLY H H 8.886 0.01 1 1224 129 129 GLY HA2 H 3.745 0.01 2 1225 129 129 GLY HA3 H 3.973 0.01 2 1226 129 129 GLY C C 177.365 0.1 1 1227 129 129 GLY CA C 46.816 0.1 1 1228 129 129 GLY N N 106.665 0.1 1 1229 130 130 GLU H H 7.712 0.01 1 1230 130 130 GLU HA H 4.015 0.01 1 1231 130 130 GLU HB3 H 2.341 0.01 2 1232 130 130 GLU C C 177.942 0.1 1 1233 130 130 GLU CA C 59.337 0.1 1 1234 130 130 GLU N N 123.234 0.1 1 1235 131 131 ARG H H 8.671 0.01 1 1236 131 131 ARG HA H 3.800 0.01 1 1237 131 131 ARG HB2 H 1.761 0.01 2 1238 131 131 ARG HB3 H 1.869 0.01 2 1239 131 131 ARG HG2 H 1.616 0.01 2 1240 131 131 ARG HG3 H 1.616 0.01 2 1241 131 131 ARG HD2 H 3.127 0.01 2 1242 131 131 ARG HD3 H 3.233 0.01 2 1243 131 131 ARG C C 177.983 0.1 1 1244 131 131 ARG CA C 59.089 0.1 1 1245 131 131 ARG CD C 43.037 0.1 1 1246 131 131 ARG N N 119.768 0.1 1 1247 132 132 LYS H H 7.919 0.01 1 1248 132 132 LYS HA H 4.078 0.01 1 1249 132 132 LYS HB2 H 1.696 0.01 2 1250 132 132 LYS HB3 H 1.825 0.01 2 1251 132 132 LYS HG2 H 1.297 0.01 2 1252 132 132 LYS HG3 H 1.350 0.01 2 1253 132 132 LYS HD2 H 1.626 0.01 2 1254 132 132 LYS HD3 H 1.626 0.01 2 1255 132 132 LYS HE2 H 2.857 0.01 2 1256 132 132 LYS HE3 H 2.916 0.01 2 1257 132 132 LYS C C 179.655 0.1 1 1258 132 132 LYS CA C 58.916 0.1 1 1259 132 132 LYS CB C 31.609 0.1 1 1260 132 132 LYS CG C 24.299 0.1 1 1261 132 132 LYS CE C 41.695 0.1 1 1262 132 132 LYS N N 119.075 0.1 1 1263 133 133 MET H H 7.775 0.01 1 1264 133 133 MET HA H 3.969 0.01 1 1265 133 133 MET HB2 H 2.174 0.01 2 1266 133 133 MET HB3 H 2.174 0.01 2 1267 133 133 MET HG2 H 2.315 0.01 2 1268 133 133 MET HG3 H 2.457 0.01 2 1269 133 133 MET HE H 1.922 0.01 1 1270 133 133 MET C C 177.105 0.1 1 1271 133 133 MET CA C 59.322 0.1 1 1272 133 133 MET CE C 17.625 0.1 1 1273 133 133 MET N N 120.898 0.1 1 1274 134 134 LEU H H 8.248 0.01 1 1275 134 134 LEU HA H 3.664 0.01 1 1276 134 134 LEU HB2 H 1.385 0.01 2 1277 134 134 LEU HB3 H 1.849 0.01 2 1278 134 134 LEU HG H 1.261 0.01 1 1279 134 134 LEU HD1 H 0.345 0.01 2 1280 134 134 LEU HD2 H 0.583 0.01 2 1281 134 134 LEU C C 178.151 0.1 1 1282 134 134 LEU CA C 58.856 0.1 1 1283 134 134 LEU CG C 26.961 0.1 1 1284 134 134 LEU CD1 C 24.038 0.1 2 1285 134 134 LEU CD2 C 25.195 0.1 2 1286 134 134 LEU N N 121.377 0.1 1 1287 135 135 ASP H H 8.508 0.01 1 1288 135 135 ASP HA H 4.290 0.01 1 1289 135 135 ASP HB2 H 2.645 0.01 2 1290 135 135 ASP HB3 H 2.734 0.01 2 1291 135 135 ASP C C 179.703 0.1 1 1292 135 135 ASP CA C 57.708 0.1 1 1293 135 135 ASP N N 118.791 0.1 1 1294 136 136 THR H H 8.180 0.01 1 1295 136 136 THR HA H 3.926 0.01 1 1296 136 136 THR HB H 4.256 0.01 1 1297 136 136 THR HG2 H 1.206 0.01 1 1298 136 136 THR C C 175.427 0.1 1 1299 136 136 THR CA C 66.953 0.1 1 1300 136 136 THR CB C 68.810 0.1 1 1301 136 136 THR CG2 C 21.301 0.1 1 1302 136 136 THR N N 118.385 0.1 1 1303 137 137 ALA H H 8.539 0.01 1 1304 137 137 ALA HA H 3.857 0.01 1 1305 137 137 ALA HB H 1.350 0.01 1 1306 137 137 ALA C C 178.428 0.1 1 1307 137 137 ALA CA C 55.573 0.1 1 1308 137 137 ALA CB C 17.920 0.1 1 1309 137 137 ALA N N 123.352 0.1 1 1310 138 138 ARG H H 8.777 0.01 1 1311 138 138 ARG HA H 3.691 0.01 1 1312 138 138 ARG HB2 H 1.838 0.01 2 1313 138 138 ARG HB3 H 1.936 0.01 2 1314 138 138 ARG HG2 H 1.602 0.01 2 1315 138 138 ARG HG3 H 1.602 0.01 2 1316 138 138 ARG HD2 H 3.143 0.01 2 1317 138 138 ARG HD3 H 3.363 0.01 2 1318 138 138 ARG HE H 7.560 0.01 1 1319 138 138 ARG C C 177.585 0.1 1 1320 138 138 ARG CA C 60.327 0.1 1 1321 138 138 ARG CB C 30.700 0.1 1 1322 138 138 ARG CD C 43.029 0.1 1 1323 138 138 ARG N N 115.636 0.1 1 1324 138 138 ARG NE N 83.084 0.1 1 1325 139 139 SER H H 7.909 0.01 1 1326 139 139 SER HB2 H 3.962 0.01 2 1327 139 139 SER HB3 H 4.088 0.01 2 1328 139 139 SER C C 177.293 0.1 1 1329 139 139 SER CA C 62.061 0.1 1 1330 139 139 SER N N 113.215 0.1 1 1331 140 140 LEU H H 7.928 0.01 1 1332 140 140 LEU HA H 4.139 0.01 1 1333 140 140 LEU HB2 H 1.555 0.01 2 1334 140 140 LEU HB3 H 1.917 0.01 2 1335 140 140 LEU HG H 1.929 0.01 1 1336 140 140 LEU HD1 H 0.837 0.01 2 1337 140 140 LEU HD2 H 0.837 0.01 2 1338 140 140 LEU C C 180.038 0.1 1 1339 140 140 LEU CA C 57.993 0.1 1 1340 140 140 LEU CD1 C 22.953 0.1 2 1341 140 140 LEU N N 120.214 0.1 1 1342 141 141 LEU H H 8.145 0.01 1 1343 141 141 LEU HA H 3.926 0.01 1 1344 141 141 LEU HB2 H 1.613 0.01 2 1345 141 141 LEU HB3 H 1.726 0.01 2 1346 141 141 LEU HG H 1.718 0.01 1 1347 141 141 LEU HD1 H 0.821 0.01 2 1348 141 141 LEU HD2 H 0.875 0.01 2 1349 141 141 LEU C C 178.488 0.1 1 1350 141 141 LEU CA C 58.349 0.1 1 1351 141 141 LEU CB C 42.100 0.1 1 1352 141 141 LEU CD1 C 23.346 0.1 2 1353 141 141 LEU CD2 C 25.716 0.1 2 1354 141 141 LEU N N 119.144 0.1 1 1355 142 142 ILE H H 8.940 0.01 1 1356 142 142 ILE HA H 3.562 0.01 1 1357 142 142 ILE HB H 1.971 0.01 1 1358 142 142 ILE HG12 H 1.842 0.01 2 1359 142 142 ILE HG13 H 1.842 0.01 2 1360 142 142 ILE HG2 H 0.962 0.01 1 1361 142 142 ILE HD1 H 0.857 0.01 1 1362 142 142 ILE C C 178.993 0.1 1 1363 142 142 ILE CA C 66.586 0.1 1 1364 142 142 ILE CB C 37.547 0.1 1 1365 142 142 ILE CG1 C 30.300 0.1 1 1366 142 142 ILE CG2 C 17.527 0.1 1 1367 142 142 ILE CD1 C 14.127 0.1 1 1368 142 142 ILE N N 118.223 0.1 1 1369 143 143 LYS H H 7.667 0.01 1 1370 143 143 LYS HA H 3.978 0.01 1 1371 143 143 LYS HD2 H 1.613 0.01 2 1372 143 143 LYS HD3 H 1.613 0.01 2 1373 143 143 LYS C C 175.588 0.1 1 1374 143 143 LYS N N 120.258 0.1 1 1375 144 144 GLU H H 7.989 0.01 1 1376 144 144 GLU HB2 H 2.025 0.01 2 1377 144 144 GLU HB3 H 2.107 0.01 2 1378 144 144 GLU C C 178.661 0.1 1 1379 144 144 GLU CA C 59.875 0.1 1 1380 144 144 GLU N N 116.338 0.1 1 1381 145 145 LEU H H 8.767 0.01 1 1382 145 145 LEU C C 178.641 0.1 1 1383 145 145 LEU CA C 58.471 0.1 1 1384 145 145 LEU N N 116.580 0.1 1 1385 146 146 SER H H 8.133 0.01 1 1386 146 146 SER HA H 4.457 0.01 1 1387 146 146 SER HB2 H 3.903 0.01 2 1388 146 146 SER HB3 H 4.125 0.01 2 1389 146 146 SER C C 176.711 0.1 1 1390 146 146 SER CA C 61.477 0.1 1 1391 146 146 SER N N 113.840 0.1 1 1392 147 147 LEU H H 7.387 0.01 1 1393 147 147 LEU HA H 4.317 0.01 1 1394 147 147 LEU HB2 H 1.553 0.01 2 1395 147 147 LEU HB3 H 1.994 0.01 2 1396 147 147 LEU HD1 H 0.917 0.01 2 1397 147 147 LEU C C 179.691 0.1 1 1398 147 147 LEU CA C 57.245 0.1 1 1399 147 147 LEU CB C 42.124 0.1 1 1400 147 147 LEU CD1 C 23.029 0.1 2 1401 147 147 LEU N N 122.195 0.1 1 1402 148 148 ALA H H 7.776 0.01 1 1403 148 148 ALA HA H 4.152 0.01 1 1404 148 148 ALA HB H 1.363 0.01 1 1405 148 148 ALA C C 179.584 0.1 1 1406 148 148 ALA CA C 54.454 0.1 1 1407 148 148 ALA CB C 20.104 0.1 1 1408 148 148 ALA N N 120.991 0.1 1 1409 149 149 LYS H H 8.157 0.01 1 1410 149 149 LYS C C 175.723 0.1 1 1411 149 149 LYS CA C 56.775 0.1 1 1412 149 149 LYS N N 113.913 0.1 1 1413 150 150 ASP H H 7.787 0.01 1 1414 150 150 ASP HA H 4.419 0.01 1 1415 150 150 ASP HB2 H 2.377 0.01 2 1416 150 150 ASP HB3 H 3.228 0.01 2 1417 150 150 ASP C C 174.116 0.1 1 1418 150 150 ASP CA C 54.950 0.1 1 1419 150 150 ASP CB C 39.225 0.1 1 1420 150 150 ASP N N 120.810 0.1 1 1421 151 151 CYS H H 8.790 0.01 1 1422 151 151 CYS HA H 5.198 0.01 1 1423 151 151 CYS HB2 H 2.433 0.01 2 1424 151 151 CYS HB3 H 3.392 0.01 2 1425 151 151 CYS C C 172.774 0.1 1 1426 151 151 CYS CA C 54.947 0.1 1 1427 151 151 CYS N N 114.822 0.1 1 1428 152 152 SER H H 8.533 0.01 1 1429 152 152 SER HA H 4.564 0.01 1 1430 152 152 SER HB2 H 4.029 0.01 2 1431 152 152 SER HB3 H 4.305 0.01 2 1432 152 152 SER C C 176.647 0.1 1 1433 152 152 SER CA C 57.610 0.1 1 1434 152 152 SER CB C 64.788 0.1 1 1435 152 152 SER N N 114.599 0.1 1 1436 153 153 GLU H H 9.242 0.01 1 1437 153 153 GLU HA H 3.803 0.01 1 1438 153 153 GLU HB2 H 1.976 0.01 2 1439 153 153 GLU HB3 H 2.061 0.01 2 1440 153 153 GLU HG2 H 2.212 0.01 2 1441 153 153 GLU HG3 H 2.508 0.01 2 1442 153 153 GLU C C 178.668 0.1 1 1443 153 153 GLU CA C 60.873 0.1 1 1444 153 153 GLU CG C 37.700 0.1 1 1445 153 153 GLU N N 122.838 0.1 1 1446 154 154 ASP H H 8.324 0.01 1 1447 154 154 ASP HA H 4.330 0.01 1 1448 154 154 ASP HB2 H 2.636 0.01 2 1449 154 154 ASP HB3 H 2.636 0.01 2 1450 154 154 ASP C C 178.708 0.1 1 1451 154 154 ASP CA C 57.016 0.1 1 1452 154 154 ASP CB C 40.404 0.1 1 1453 154 154 ASP N N 116.815 0.1 1 1454 155 155 GLU H H 7.819 0.01 1 1455 155 155 GLU HA H 4.068 0.01 1 1456 155 155 GLU HB2 H 2.211 0.01 2 1457 155 155 GLU HB3 H 2.211 0.01 2 1458 155 155 GLU HG3 H 2.301 0.01 2 1459 155 155 GLU C C 178.487 0.1 1 1460 155 155 GLU CA C 59.478 0.1 1 1461 155 155 GLU CB C 29.358 0.1 1 1462 155 155 GLU N N 121.493 0.1 1 1463 156 156 ILE H H 7.178 0.01 1 1464 156 156 ILE HA H 3.900 0.01 1 1465 156 156 ILE HB H 2.377 0.01 1 1466 156 156 ILE HG12 H 1.366 0.01 2 1467 156 156 ILE HG13 H 1.686 0.01 2 1468 156 156 ILE HG2 H 1.018 0.01 1 1469 156 156 ILE HD1 H 0.671 0.01 1 1470 156 156 ILE C C 178.873 0.1 1 1471 156 156 ILE CA C 61.564 0.1 1 1472 156 156 ILE CG1 C 26.700 0.1 1 1473 156 156 ILE CG2 C 19.443 0.1 1 1474 156 156 ILE CD1 C 9.450 0.1 1 1475 156 156 ILE N N 117.269 0.1 1 1476 157 157 GLU H H 8.511 0.01 1 1477 157 157 GLU HA H 3.850 0.01 1 1478 157 157 GLU HB2 H 2.146 0.01 2 1479 157 157 GLU HB3 H 2.211 0.01 2 1480 157 157 GLU HG2 H 2.191 0.01 2 1481 157 157 GLU HG3 H 2.373 0.01 2 1482 157 157 GLU C C 179.572 0.1 1 1483 157 157 GLU CA C 60.820 0.1 1 1484 157 157 GLU CG C 37.213 0.1 1 1485 157 157 GLU N N 119.517 0.1 1 1486 158 158 SER H H 8.201 0.01 1 1487 158 158 SER HA H 4.335 0.01 1 1488 158 158 SER HB2 H 3.902 0.01 2 1489 158 158 SER HB3 H 3.902 0.01 2 1490 158 158 SER C C 177.011 0.1 1 1491 158 158 SER CA C 61.844 0.1 1 1492 158 158 SER N N 115.134 0.1 1 1493 159 159 ASP H H 8.119 0.01 1 1494 159 159 ASP HA H 4.440 0.01 1 1495 159 159 ASP HB2 H 2.562 0.01 2 1496 159 159 ASP HB3 H 3.296 0.01 2 1497 159 159 ASP C C 179.145 0.1 1 1498 159 159 ASP CA C 57.725 0.1 1 1499 159 159 ASP N N 123.480 0.1 1 1500 160 160 LEU H H 8.367 0.01 1 1501 160 160 LEU HA H 3.944 0.01 1 1502 160 160 LEU HB2 H 1.465 0.01 2 1503 160 160 LEU HB3 H 2.103 0.01 2 1504 160 160 LEU HD1 H 0.850 0.01 2 1505 160 160 LEU HD2 H 0.879 0.01 2 1506 160 160 LEU C C 179.168 0.1 1 1507 160 160 LEU CA C 58.278 0.1 1 1508 160 160 LEU CB C 41.640 0.1 1 1509 160 160 LEU CD2 C 25.423 0.1 2 1510 160 160 LEU N N 119.046 0.1 1 1511 161 161 LYS H H 8.173 0.01 1 1512 161 161 LYS HA H 3.847 0.01 1 1513 161 161 LYS HB2 H 1.983 0.01 2 1514 161 161 LYS HB3 H 1.983 0.01 2 1515 161 161 LYS HG2 H 1.319 0.01 2 1516 161 161 LYS HG3 H 1.693 0.01 2 1517 161 161 LYS HD2 H 1.651 0.01 2 1518 161 161 LYS HD3 H 1.651 0.01 2 1519 161 161 LYS HE2 H 2.907 0.01 2 1520 161 161 LYS HE3 H 2.907 0.01 2 1521 161 161 LYS C C 178.998 0.1 1 1522 161 161 LYS CA C 60.023 0.1 1 1523 161 161 LYS CG C 25.666 0.1 1 1524 161 161 LYS CD C 29.406 0.1 1 1525 161 161 LYS CE C 41.832 0.1 1 1526 161 161 LYS N N 118.424 0.1 1 1527 162 162 LYS H H 7.598 0.01 1 1528 162 162 LYS HA H 4.127 0.01 1 1529 162 162 LYS HB2 H 1.949 0.01 2 1530 162 162 LYS HB3 H 1.949 0.01 2 1531 162 162 LYS HG2 H 1.444 0.01 2 1532 162 162 LYS HG3 H 1.444 0.01 2 1533 162 162 LYS HD2 H 1.614 0.01 2 1534 162 162 LYS HD3 H 1.614 0.01 2 1535 162 162 LYS HE2 H 2.953 0.01 2 1536 162 162 LYS HE3 H 2.953 0.01 2 1537 162 162 LYS C C 179.329 0.1 1 1538 162 162 LYS CA C 58.705 0.1 1 1539 162 162 LYS CB C 32.394 0.1 1 1540 162 162 LYS CG C 25.363 0.1 1 1541 162 162 LYS CE C 41.836 0.1 1 1542 162 162 LYS N N 117.388 0.1 1 1543 163 163 ILE H H 8.008 0.01 1 1544 163 163 ILE HA H 3.402 0.01 1 1545 163 163 ILE HB H 1.184 0.01 1 1546 163 163 ILE HG12 H 0.680 0.01 2 1547 163 163 ILE HG13 H 1.753 0.01 2 1548 163 163 ILE HG2 H -0.282 0.01 1 1549 163 163 ILE HD1 H 0.569 0.01 1 1550 163 163 ILE C C 177.361 0.1 1 1551 163 163 ILE CA C 65.078 0.1 1 1552 163 163 ILE CG2 C 16.428 0.1 1 1553 163 163 ILE CD1 C 13.877 0.1 1 1554 163 163 ILE N N 120.236 0.1 1 1555 164 164 PHE H H 7.700 0.01 1 1556 164 164 PHE HA H 4.506 0.01 1 1557 164 164 PHE HB2 H 2.152 0.01 2 1558 164 164 PHE HB3 H 2.920 0.01 2 1559 164 164 PHE HD1 H 7.148 0.01 3 1560 164 164 PHE HD2 H 7.148 0.01 3 1561 164 164 PHE HE1 H 7.247 0.01 3 1562 164 164 PHE HE2 H 7.247 0.01 3 1563 164 164 PHE C C 174.052 0.1 1 1564 164 164 PHE CA C 58.268 0.1 1 1565 164 164 PHE N N 114.079 0.1 1 1566 165 165 ASN H H 7.656 0.01 1 1567 165 165 ASN HA H 4.463 0.01 1 1568 165 165 ASN HB2 H 2.740 0.01 2 1569 165 165 ASN HB3 H 3.069 0.01 2 1570 165 165 ASN HD21 H 6.774 0.01 2 1571 165 165 ASN HD22 H 7.570 0.01 2 1572 165 165 ASN C C 174.659 0.1 1 1573 165 165 ASN CA C 54.196 0.1 1 1574 165 165 ASN CB C 36.948 0.1 1 1575 165 165 ASN CG C 178.303 0.1 1 1576 165 165 ASN N N 118.142 0.1 1 1577 165 165 ASN ND2 N 111.969 0.1 1 1578 166 166 LEU H H 8.215 0.01 1 1579 166 166 LEU HA H 4.387 0.01 1 1580 166 166 LEU HB2 H 1.620 0.01 2 1581 166 166 LEU HB3 H 1.620 0.01 2 1582 166 166 LEU HG H 1.421 0.01 1 1583 166 166 LEU HD1 H 0.647 0.01 2 1584 166 166 LEU HD2 H 0.667 0.01 2 1585 166 166 LEU C C 176.272 0.1 1 1586 166 166 LEU CA C 54.269 0.1 1 1587 166 166 LEU CB C 42.414 0.1 1 1588 166 166 LEU CG C 26.533 0.1 1 1589 166 166 LEU CD1 C 22.355 0.1 2 1590 166 166 LEU CD2 C 24.998 0.1 2 1591 166 166 LEU N N 118.156 0.1 1 1592 167 167 ALA H H 7.977 0.01 1 1593 167 167 ALA HA H 4.081 0.01 1 1594 167 167 ALA HB H 1.323 0.01 1 1595 167 167 ALA CA C 53.700 0.1 1 1596 167 167 ALA CB C 20.338 0.1 1 1597 167 167 ALA N N 129.212 0.1 1 stop_ save_