data_17160 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N resonance assignment of the chitin-binding protein CBP21 from Serratia marcescens ; _BMRB_accession_number 17160 _BMRB_flat_file_name bmr17160.str _Entry_type original _Submission_date 2010-08-31 _Accession_date 2010-08-31 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'chitin-binding protein CBP21' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vaaje-Kolstad Gustav . . 2 Eijsink Vincent 'G. H.' . 3 Aachmann Finn L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 872 "13C chemical shifts" 652 "15N chemical shifts" 179 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-03-24 update BMRB 'update entry citation' 2010-11-09 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C, (15)N resonance assignment of the chitin-binding protein CBP21 from Serratia marcescens.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21052875 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aachmann Finn L. . 2 Eijsink Vincent G.H. . 3 Vaaje-Kolstad Gustav . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 5 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 117 _Page_last 119 _Year 2011 _Details . loop_ _Keyword 'carbohydrate-binding module (CBM)' CBM33 Chitin 'Chitin-binding protein (CBP)' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CBP21 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CBP21 $CBP21 stop_ _System_molecular_weight 18794 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Chitin-Binding protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CBP21 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CBP21 _Molecular_mass 18794 _Mol_thiol_state 'all disulfide bound' _Details 'CAZy database: CBM33. Carbohydrate-Binding Module Family 33.' ############################## # Polymer residue sequence # ############################## _Residue_count 170 _Mol_residue_sequence ; HGYVESPASRAYQCKLQLNT QCGSVQYEPQSVEGLKGFPQ AGPADGHIASADKSTFFELD QQTPTRWNKLNLKTGPNSFT WKLTARHSTTSWRYFITKPN WDASQPLTRASFDLTPFCQF NDGGAIPAAQVTHQCNIPAD RSGSHVILAVWDIADTANAF YQAIDVNLSK ; loop_ _Residue_seq_code _Residue_label 1 HIS 2 GLY 3 TYR 4 VAL 5 GLU 6 SER 7 PRO 8 ALA 9 SER 10 ARG 11 ALA 12 TYR 13 GLN 14 CYS 15 LYS 16 LEU 17 GLN 18 LEU 19 ASN 20 THR 21 GLN 22 CYS 23 GLY 24 SER 25 VAL 26 GLN 27 TYR 28 GLU 29 PRO 30 GLN 31 SER 32 VAL 33 GLU 34 GLY 35 LEU 36 LYS 37 GLY 38 PHE 39 PRO 40 GLN 41 ALA 42 GLY 43 PRO 44 ALA 45 ASP 46 GLY 47 HIS 48 ILE 49 ALA 50 SER 51 ALA 52 ASP 53 LYS 54 SER 55 THR 56 PHE 57 PHE 58 GLU 59 LEU 60 ASP 61 GLN 62 GLN 63 THR 64 PRO 65 THR 66 ARG 67 TRP 68 ASN 69 LYS 70 LEU 71 ASN 72 LEU 73 LYS 74 THR 75 GLY 76 PRO 77 ASN 78 SER 79 PHE 80 THR 81 TRP 82 LYS 83 LEU 84 THR 85 ALA 86 ARG 87 HIS 88 SER 89 THR 90 THR 91 SER 92 TRP 93 ARG 94 TYR 95 PHE 96 ILE 97 THR 98 LYS 99 PRO 100 ASN 101 TRP 102 ASP 103 ALA 104 SER 105 GLN 106 PRO 107 LEU 108 THR 109 ARG 110 ALA 111 SER 112 PHE 113 ASP 114 LEU 115 THR 116 PRO 117 PHE 118 CYS 119 GLN 120 PHE 121 ASN 122 ASP 123 GLY 124 GLY 125 ALA 126 ILE 127 PRO 128 ALA 129 ALA 130 GLN 131 VAL 132 THR 133 HIS 134 GLN 135 CYS 136 ASN 137 ILE 138 PRO 139 ALA 140 ASP 141 ARG 142 SER 143 GLY 144 SER 145 HIS 146 VAL 147 ILE 148 LEU 149 ALA 150 VAL 151 TRP 152 ASP 153 ILE 154 ALA 155 ASP 156 THR 157 ALA 158 ASN 159 ALA 160 PHE 161 TYR 162 GLN 163 ALA 164 ILE 165 ASP 166 VAL 167 ASN 168 LEU 169 SER 170 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-29 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 2BEM "Crystal Structure Of The Serratia Marcescens Chitin-Binding Protein Cbp21" 100.00 170 100.00 100.00 9.15e-123 PDB 2BEN "Crystal Structure Of The Serratia Marcescens Chitin-Binding Protein Cbp21 Y54a Mutant" 100.00 170 99.41 99.41 1.68e-121 PDB 2LHS "Structure Of The Chitin Binding Protein 21 (cbp21)" 100.00 170 100.00 100.00 9.15e-123 DBJ BAA31569 "CBP21 precursor [Serratia marcescens]" 100.00 197 100.00 100.00 1.17e-123 DBJ BAO35063 "chitin-binding protein [Serratia marcescens SM39]" 100.00 197 99.41 100.00 2.06e-123 EMBL CDG13442 "chitin-binding protein [Serratia marcescens subsp. marcescens Db11]" 100.00 197 99.41 99.41 5.05e-123 GB AAU88202 "chitin-binding protein precursor [Serratia marcescens]" 100.00 197 100.00 100.00 1.17e-123 GB AGO05942 "chitin-binding protein, partial [Serratia marcescens]" 100.00 170 98.82 99.41 1.19e-121 GB AIA47583 "chitin-binding domain-containing protein [Serratia sp. FS14]" 100.00 197 100.00 100.00 1.17e-123 GB AIM23065 "chitin-binding domain-containing protein [Serratia sp. SCBI]" 99.41 197 98.82 99.41 1.65e-121 GB AKL42792 "chitin-binding protein [Serratia marcescens]" 100.00 197 99.41 100.00 4.33e-123 REF WP_004936574 "MULTISPECIES: chitin-binding protein [Serratia]" 100.00 197 100.00 100.00 1.17e-123 REF WP_019453872 "chitin-binding protein [Serratia marcescens]" 99.41 197 98.82 99.41 1.33e-121 REF WP_025303806 "chitin-binding protein [Serratia marcescens]" 100.00 197 99.41 99.41 5.05e-123 REF WP_033635482 "MULTISPECIES: chitin-binding protein [Enterobacteriaceae]" 100.00 197 100.00 100.00 1.39e-123 REF WP_033643984 "MULTISPECIES: chitin-binding protein [Serratia]" 99.41 197 98.82 99.41 1.65e-121 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 _Gene_mnemonic _Details $CBP21 'Serratia marcescens' 615 Bacteria . Serratia marcescens BJL200 cbp 'EMBL-Bank: AB015998.1' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $CBP21 'recombinant technology' . Escherichia coli BL21 DE3 pRSETB_cbp21 'pRSETB expression vector with cbp21 gene' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_label_H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CBP21 . mM 1.0 1.6 '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 10 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_label_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CBP21 . mM 1.2 1.4 '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 10 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ save_non_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CBP21 . mM 1.2 1.4 'natural abundance' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 10 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ save_non_H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CBP21 . mM 1.2 1.4 'natural abundance' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 10 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.5.1/1.8.4 loop_ _Vendor _Address _Electronic_address CARA . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $label_H2O save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $label_D2O save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $non_D2O save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $non_H2O save_ save_2D_1H-1H_COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $non_D2O save_ save_2D_1H-1H_COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $non_H2O save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $non_D2O save_ save_2D_1H-1H_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $non_H2O save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $label_H2O save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $label_H2O save_ save_3D_HNCA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $label_H2O save_ save_3D_HNCACB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $label_H2O save_ save_3D_HN(CO)CA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $label_H2O save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $label_D2O save_ save_3D_HCCH-COSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $label_D2O save_ save_3D_HBHANH_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $label_H2O save_ save_3D_HN(CA)CO_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $label_H2O save_ save_3D_1H-15N_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $label_H2O 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' 0.06 0.01 M pH 5.5 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 . loop_ _Software_label $xwinnmr stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $label_H2O $label_D2O stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CBP21 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 HIS HD2 H 6.92 0.02 1 2 1 1 HIS HE1 H 8.83 0.02 1 3 1 1 HIS C C 179.4 0.3 1 4 1 1 HIS CE1 C 136.7 0.3 1 5 2 2 GLY H H 8.00 0.02 1 6 2 2 GLY HA2 H 4.61 0.02 2 7 2 2 GLY HA3 H 4.48 0.02 2 8 2 2 GLY C C 169.7 0.3 1 9 2 2 GLY CA C 46.3 0.3 1 10 2 2 GLY N N 109.6 0.3 1 11 3 3 TYR H H 8.42 0.02 1 12 3 3 TYR HA H 4.67 0.02 1 13 3 3 TYR HB2 H 2.88 0.02 2 14 3 3 TYR HB3 H 2.85 0.02 2 15 3 3 TYR HD1 H 6.26 0.02 1 16 3 3 TYR HE1 H 5.89 0.02 1 17 3 3 TYR C C 172.5 0.3 1 18 3 3 TYR CA C 55.2 0.3 1 19 3 3 TYR CB C 40.2 0.3 1 20 3 3 TYR N N 114.8 0.3 1 21 4 4 VAL H H 7.45 0.02 1 22 4 4 VAL HA H 3.53 0.02 1 23 4 4 VAL HB H 1.63 0.02 1 24 4 4 VAL HG1 H 0.72 0.02 1 25 4 4 VAL HG2 H -0.66 0.02 1 26 4 4 VAL C C 173.4 0.3 1 27 4 4 VAL CA C 63.1 0.3 1 28 4 4 VAL CB C 30.6 0.3 1 29 4 4 VAL CG1 C 21.6 0.3 1 30 4 4 VAL CG2 C 19.4 0.3 1 31 4 4 VAL N N 120.1 0.3 1 32 5 5 GLU H H 8.57 0.02 1 33 5 5 GLU HA H 4.22 0.02 1 34 5 5 GLU HB2 H 1.67 0.02 2 35 5 5 GLU HB3 H 1.65 0.02 2 36 5 5 GLU HG2 H 2.07 0.02 1 37 5 5 GLU C C 175.8 0.3 1 38 5 5 GLU CA C 56.2 0.3 1 39 5 5 GLU CB C 32.5 0.3 1 40 5 5 GLU CG C 36.4 0.3 1 41 5 5 GLU N N 131.5 0.3 1 42 6 6 SER H H 7.08 0.02 1 43 6 6 SER HA H 4.78 0.02 1 44 6 6 SER HB2 H 3.64 0.02 2 45 6 6 SER HB3 H 3.62 0.02 2 46 6 6 SER C C 171.6 0.3 1 47 6 6 SER CA C 54.5 0.3 1 48 6 6 SER CB C 64.8 0.3 1 49 6 6 SER N N 111.6 0.3 1 50 7 7 PRO HA H 4.54 0.02 1 51 7 7 PRO HB2 H 2.27 0.02 2 52 7 7 PRO HB3 H 1.84 0.02 2 53 7 7 PRO HD2 H 3.49 0.02 2 54 7 7 PRO HD3 H 2.64 0.02 2 55 7 7 PRO HG2 H 1.78 0.02 2 56 7 7 PRO HG3 H 1.61 0.02 2 57 7 7 PRO C C 174.1 0.3 1 58 7 7 PRO CA C 62.1 0.3 1 59 7 7 PRO CB C 33.0 0.3 1 60 7 7 PRO CD C 51.0 0.3 1 61 7 7 PRO CG C 25.2 0.3 1 62 8 8 ALA H H 8.09 0.02 1 63 8 8 ALA HA H 4.16 0.02 1 64 8 8 ALA HB H 1.45 0.02 1 65 8 8 ALA C C 178.6 0.3 1 66 8 8 ALA CA C 53.5 0.3 1 67 8 8 ALA CB C 19.1 0.3 1 68 8 8 ALA N N 124.7 0.3 1 69 9 9 SER H H 8.59 0.02 1 70 9 9 SER HA H 4.34 0.02 1 71 9 9 SER HB2 H 4.33 0.02 2 72 9 9 SER HB3 H 4.26 0.02 2 73 9 9 SER C C 172.7 0.3 1 74 9 9 SER CA C 57.2 0.3 1 75 9 9 SER CB C 66.3 0.3 1 76 9 9 SER N N 120.6 0.3 1 77 10 10 ARG H H 9.17 0.02 1 78 10 10 ARG HA H 3.74 0.02 1 79 10 10 ARG HB2 H 2.02 0.02 2 80 10 10 ARG HB3 H 1.48 0.02 2 81 10 10 ARG HD2 H 2.85 0.02 1 82 10 10 ARG HG2 H 0.66 0.02 1 83 10 10 ARG C C 179.1 0.3 1 84 10 10 ARG CA C 59.8 0.3 1 85 10 10 ARG CB C 32.0 0.3 1 86 10 10 ARG CD C 42.5 0.3 1 87 10 10 ARG CG C 23.7 0.3 1 88 10 10 ARG N N 125.9 0.3 1 89 11 11 ALA H H 9.44 0.02 1 90 11 11 ALA HA H 3.74 0.02 1 91 11 11 ALA HB H 1.36 0.02 1 92 11 11 ALA C C 179.4 0.3 1 93 11 11 ALA CA C 55.0 0.3 1 94 11 11 ALA CB C 18.8 0.3 1 95 11 11 ALA N N 120.0 0.3 1 96 12 12 TYR HA H 4.19 0.02 1 97 12 12 TYR HB2 H 3.13 0.02 2 98 12 12 TYR HB3 H 2.76 0.02 2 99 12 12 TYR HD1 H 6.91 0.02 1 100 12 12 TYR HE1 H 6.70 0.02 1 101 12 12 TYR C C 177.9 0.3 1 102 12 12 TYR CA C 59.1 0.3 1 103 12 12 TYR CB C 38.3 0.3 1 104 13 13 GLN H H 9.65 0.02 1 105 13 13 GLN HA H 3.72 0.02 1 106 13 13 GLN HB2 H 2.23 0.02 2 107 13 13 GLN HB3 H 1.72 0.02 2 108 13 13 GLN HE21 H 7.54 0.02 1 109 13 13 GLN HE22 H 6.86 0.02 1 110 13 13 GLN HG2 H 2.71 0.02 2 111 13 13 GLN HG3 H 2.28 0.02 2 112 13 13 GLN C C 180.3 0.3 1 113 13 13 GLN CA C 61.1 0.3 1 114 13 13 GLN CB C 30.1 0.3 1 115 13 13 GLN CG C 36.7 0.3 1 116 13 13 GLN N N 118.7 0.3 1 117 13 13 GLN NE2 N 113.1 0.3 1 118 14 14 CYS H H 7.97 0.02 1 119 14 14 CYS HA H 4.57 0.02 1 120 14 14 CYS HB2 H 4.04 0.02 2 121 14 14 CYS HB3 H 2.42 0.02 2 122 14 14 CYS C C 177.2 0.3 1 123 14 14 CYS CA C 59.4 0.3 1 124 14 14 CYS CB C 39.0 0.3 1 125 14 14 CYS N N 119.9 0.3 1 126 15 15 LYS H H 7.37 0.02 1 127 15 15 LYS HA H 4.40 0.02 1 128 15 15 LYS HB2 H 2.27 0.02 2 129 15 15 LYS HB3 H 1.90 0.02 2 130 15 15 LYS HD2 H 1.65 0.02 1 131 15 15 LYS HE2 H 3.10 0.02 1 132 15 15 LYS HG2 H 1.42 0.02 1 133 15 15 LYS C C 178.6 0.3 1 134 15 15 LYS CA C 60.2 0.3 1 135 15 15 LYS CB C 31.6 0.3 1 136 15 15 LYS CD C 24.8 0.3 1 137 15 15 LYS CE C 42.0 0.3 1 138 15 15 LYS CG C 25.83 0.3 1 139 15 15 LYS N N 126.3 0.3 1 140 16 16 LEU H H 7.95 0.02 1 141 16 16 LEU HA H 4.05 0.02 1 142 16 16 LEU HB2 H 1.53 0.02 2 143 16 16 LEU HB3 H 1.51 0.02 2 144 16 16 LEU HD1 H 0.69 0.02 1 145 16 16 LEU HD2 H 0.35 0.02 1 146 16 16 LEU HG H 0.95 0.02 1 147 16 16 LEU C C 175.5 0.3 1 148 16 16 LEU CA C 55.3 0.3 1 149 16 16 LEU CB C 43.1 0.3 1 150 16 16 LEU CD1 C 20.9 0.3 1 151 16 16 LEU CD2 C 25.0 0.3 1 152 16 16 LEU CG C 25.4 0.3 1 153 16 16 LEU N N 117.6 0.3 1 154 17 17 GLN H H 7.52 0.02 1 155 17 17 GLN HA H 3.95 0.02 1 156 17 17 GLN HB2 H 2.48 0.02 2 157 17 17 GLN HB3 H 2.32 0.02 2 158 17 17 GLN HE21 H 7.36 0.02 1 159 17 17 GLN HE22 H 6.84 0.02 1 160 17 17 GLN HG2 H 2.24 0.02 1 161 17 17 GLN C C 174.7 0.3 1 162 17 17 GLN CA C 57.5 0.3 1 163 17 17 GLN CB C 25.3 0.3 1 164 17 17 GLN CG C 34.2 0.3 1 165 17 17 GLN N N 110.7 0.3 1 166 17 17 GLN NE2 N 112.9 0.3 1 167 18 18 LEU H H 7.96 0.02 1 168 18 18 LEU HA H 4.27 0.02 1 169 18 18 LEU HB2 H 1.65 0.02 2 170 18 18 LEU HB3 H 1.59 0.02 2 171 18 18 LEU HD1 H 0.79 0.02 1 172 18 18 LEU HD2 H 0.81 0.02 1 173 18 18 LEU HG H 1.48 0.02 1 174 18 18 LEU C C 178.6 0.3 1 175 18 18 LEU CA C 56.2 0.3 1 176 18 18 LEU CB C 43.2 0.3 1 177 18 18 LEU CD1 C 25.2 0.3 1 178 18 18 LEU CD2 C 22.3 0.3 1 179 18 18 LEU CG C 27.0 0.3 1 180 18 18 LEU N N 119.0 0.3 1 181 19 19 ASN H H 6.75 0.02 1 182 19 19 ASN HA H 5.41 0.02 1 183 19 19 ASN HB2 H 2.77 0.02 2 184 19 19 ASN HB3 H 2.40 0.02 2 185 19 19 ASN HD21 H 7.39 0.02 1 186 19 19 ASN HD22 H 6.74 0.02 1 187 19 19 ASN C C 174.8 0.3 1 188 19 19 ASN CA C 51.0 0.3 1 189 19 19 ASN CB C 42.9 0.3 1 190 19 19 ASN N N 113.4 0.3 1 191 19 19 ASN ND2 N 113.1 0.3 1 192 20 20 THR H H 8.75 0.02 1 193 20 20 THR HA H 4.57 0.02 1 194 20 20 THR HB H 4.31 0.02 1 195 20 20 THR HG2 H 1.09 0.02 1 196 20 20 THR C C 173.1 0.3 1 197 20 20 THR CA C 59.6 0.3 1 198 20 20 THR CB C 71.4 0.3 1 199 20 20 THR CG2 C 21.4 0.3 1 200 20 20 THR N N 111.1 0.3 1 201 21 21 GLN H H 9.10 0.02 1 202 21 21 GLN HA H 3.98 0.02 1 203 21 21 GLN HB2 H 2.17 0.02 2 204 21 21 GLN HB3 H 2.02 0.02 2 205 21 21 GLN HE21 H 7.46 0.02 1 206 21 21 GLN HE22 H 6.91 0.02 1 207 21 21 GLN HG2 H 2.31 0.02 1 208 21 21 GLN C C 175.8 0.3 1 209 21 21 GLN CA C 56.2 0.3 1 210 21 21 GLN CB C 26.0 0.3 1 211 21 21 GLN CG C 34.1 0.3 1 212 21 21 GLN N N 117.0 0.3 1 213 21 21 GLN NE2 N 113.5 0.3 1 214 22 22 CYS H H 9.15 0.02 1 215 22 22 CYS HA H 4.44 0.02 1 216 22 22 CYS HB2 H 3.66 0.02 2 217 22 22 CYS HB3 H 3.02 0.02 2 218 22 22 CYS C C 173.8 0.3 1 219 22 22 CYS CA C 57.7 0.3 1 220 22 22 CYS CB C 46.2 0.3 1 221 22 22 CYS N N 113.3 0.3 1 222 23 23 GLY H H 8.38 0.02 1 223 23 23 GLY HA2 H 4.29 0.02 2 224 23 23 GLY HA3 H 3.75 0.02 2 225 23 23 GLY C C 175.7 0.3 1 226 23 23 GLY CA C 44.8 0.3 1 227 23 23 GLY N N 106.5 0.3 1 228 24 24 SER H H 9.39 0.02 1 229 24 24 SER HA H 4.32 0.02 1 230 24 24 SER HB2 H 4.24 0.02 1 231 24 24 SER C C 176.8 0.3 1 232 24 24 SER CA C 62.5 0.3 1 233 24 24 SER CB C 63.1 0.3 1 234 24 24 SER N N 121.3 0.3 1 235 25 25 VAL H H 9.75 0.02 1 236 25 25 VAL HA H 3.33 0.02 1 237 25 25 VAL HB H 1.66 0.02 1 238 25 25 VAL HG1 H 0.67 0.02 1 239 25 25 VAL HG2 H 0.27 0.02 1 240 25 25 VAL C C 175.7 0.3 1 241 25 25 VAL CA C 64.1 0.3 1 242 25 25 VAL CB C 29.8 0.3 1 243 25 25 VAL CG1 C 20.1 0.3 1 244 25 25 VAL CG2 C 22.9 0.3 1 245 25 25 VAL N N 125.6 0.3 1 246 26 26 GLN H H 7.49 0.02 1 247 26 26 GLN HA H 3.52 0.02 1 248 26 26 GLN HB2 H 1.88 0.02 2 249 26 26 GLN HB3 H 1.31 0.02 2 250 26 26 GLN HE21 H 7.20 0.02 1 251 26 26 GLN HG2 H 1.75 0.02 2 252 26 26 GLN HG3 H 1.04 0.02 2 253 26 26 GLN C C 174.3 0.3 1 254 26 26 GLN CA C 57.9 0.3 1 255 26 26 GLN CB C 28.7 0.3 1 256 26 26 GLN CG C 32.1 0.3 1 257 26 26 GLN N N 117.8 0.3 1 258 26 26 GLN NE2 N 111.6 0.3 1 259 27 27 TYR H H 7.27 0.02 1 260 27 27 TYR HA H 4.71 0.02 1 261 27 27 TYR HB2 H 3.53 0.02 2 262 27 27 TYR HB3 H 2.92 0.02 2 263 27 27 TYR HD1 H 6.84 0.02 1 264 27 27 TYR C C 176.7 0.3 1 265 27 27 TYR CA C 57.2 0.3 1 266 27 27 TYR CB C 38.6 0.3 1 267 27 27 TYR N N 114.5 0.3 1 268 28 28 GLU H H 7.68 0.02 1 269 28 28 GLU HA H 4.96 0.02 1 270 28 28 GLU HB2 H 2.28 0.02 2 271 28 28 GLU HB3 H 2.07 0.02 2 272 28 28 GLU HG2 H 2.59 0.02 2 273 28 28 GLU HG3 H 2.57 0.02 2 274 28 28 GLU C C 175.7 0.3 1 275 28 28 GLU CA C 53.9 0.3 1 276 28 28 GLU CB C 30.1 0.3 1 277 28 28 GLU CG C 35.6 0.3 1 278 28 28 GLU N N 117.8 0.3 1 279 29 29 PRO HA H 4.10 0.02 1 280 29 29 PRO HB2 H 1.85 0.02 2 281 29 29 PRO HB3 H 1.32 0.02 2 282 29 29 PRO HD2 H 3.08 0.02 2 283 29 29 PRO HD3 H 3.00 0.02 2 284 29 29 PRO HG2 H 1.38 0.02 1 285 29 29 PRO C C 175.7 0.3 1 286 29 29 PRO CA C 64.4 0.3 1 287 29 29 PRO CB C 29.7 0.3 1 288 29 29 PRO CD C 44.3 0.3 1 289 29 29 PRO CG C 29.1 0.3 1 290 30 30 GLN H H 9.63 0.02 1 291 30 30 GLN HA H 4.67 0.02 1 292 30 30 GLN HB2 H 1.78 0.02 2 293 30 30 GLN HB3 H 0.94 0.02 2 294 30 30 GLN HE21 H 7.15 0.02 1 295 30 30 GLN HE22 H 5.56 0.02 1 296 30 30 GLN HG2 H 1.49 0.02 2 297 30 30 GLN HG3 H 1.67 0.02 2 298 30 30 GLN C C 176.2 0.3 1 299 30 30 GLN CA C 56.2 0.3 1 300 30 30 GLN CB C 27.2 0.3 1 301 30 30 GLN CG C 42.8 0.3 1 302 30 30 GLN N N 117.8 0.3 1 303 30 30 GLN NE2 N 108.6 0.3 1 304 31 31 SER H H 7.82 0.02 1 305 31 31 SER HA H 5.23 0.02 1 306 31 31 SER HB2 H 4.17 0.02 1 307 31 31 SER C C 175.1 0.3 1 308 31 31 SER CA C 57.3 0.3 1 309 31 31 SER CB C 62.8 0.3 1 310 31 31 SER N N 118.1 0.3 1 311 32 32 VAL H H 9.20 0.02 1 312 32 32 VAL HA H 4.18 0.02 1 313 32 32 VAL HB H 2.99 0.02 1 314 32 32 VAL HG1 H 1.31 0.02 1 315 32 32 VAL HG2 H 0.86 0.02 1 316 32 32 VAL C C 172.7 0.3 1 317 32 32 VAL CA C 63.4 0.3 1 318 32 32 VAL CB C 28.1 0.3 1 319 32 32 VAL CG1 C 24.5 0.3 1 320 32 32 VAL CG2 C 20.2 0.3 1 321 32 32 VAL N N 127.9 0.3 1 322 33 33 GLU H H 7.47 0.02 1 323 33 33 GLU HA H 4.40 0.02 1 324 33 33 GLU HB2 H 1.58 0.02 2 325 33 33 GLU HB3 H 1.31 0.02 2 326 33 33 GLU C C 174.8 0.3 1 327 33 33 GLU CA C 54.0 0.3 1 328 33 33 GLU CB C 33.4 0.3 1 329 33 33 GLU N N 129.8 0.3 1 330 34 34 GLY H H 8.91 0.02 1 331 34 34 GLY HA2 H 4.64 0.02 2 332 34 34 GLY HA3 H 3.86 0.02 2 333 34 34 GLY C C 172.1 0.3 1 334 34 34 GLY CA C 44.5 0.3 1 335 34 34 GLY N N 113.9 0.3 1 336 35 35 LEU HA H 4.65 0.02 1 337 35 35 LEU HB2 H 1.67 0.02 2 338 35 35 LEU HB3 H 1.47 0.02 2 339 35 35 LEU HD1 H 0.95 0.02 1 340 35 35 LEU HG H 1.77 0.02 1 341 35 35 LEU C C 178.2 0.3 1 342 35 35 LEU CA C 55.8 0.3 1 343 35 35 LEU CB C 43.1 0.3 1 344 35 35 LEU CD1 C 25.2 0.3 1 345 35 35 LEU CG C 27.7 0.3 1 346 36 36 LYS H H 8.33 0.02 1 347 36 36 LYS HA H 4.55 0.02 1 348 36 36 LYS HB2 H 1.86 0.02 2 349 36 36 LYS HB3 H 1.46 0.02 2 350 36 36 LYS HD2 H 0.95 0.02 1 351 36 36 LYS HE2 H 2.77 0.02 2 352 36 36 LYS HE3 H 2.86 0.02 2 353 36 36 LYS HG2 H 1.16 0.02 2 354 36 36 LYS HG3 H 1.00 0.02 2 355 36 36 LYS C C 173.7 0.3 1 356 36 36 LYS CA C 55.1 0.3 1 357 36 36 LYS CB C 32.2 0.3 1 358 36 36 LYS CD C 24.1 0.3 1 359 36 36 LYS CE C 41.8 0.3 1 360 36 36 LYS CG C 23.1 0.3 1 361 36 36 LYS N N 121.3 0.3 1 362 37 37 GLY H H 8.19 0.02 1 363 37 37 GLY HA2 H 4.20 0.02 2 364 37 37 GLY HA3 H 3.65 0.02 2 365 37 37 GLY C C 175.4 0.3 1 366 37 37 GLY CA C 44.5 0.3 1 367 37 37 GLY N N 107.2 0.3 1 368 38 38 PHE H H 8.35 0.02 1 369 38 38 PHE HA H 4.80 0.02 1 370 38 38 PHE HB2 H 3.51 0.02 2 371 38 38 PHE HB3 H 3.05 0.02 2 372 38 38 PHE C C 180.4 0.3 1 373 38 38 PHE CA C 56.2 0.3 1 374 38 38 PHE CB C 41.4 0.3 1 375 38 38 PHE N N 125.3 0.3 1 376 39 39 PRO HA H 3.27 0.02 1 377 39 39 PRO HB2 H 1.67 0.02 2 378 39 39 PRO HB3 H 0.62 0.02 2 379 39 39 PRO HD2 H 3.90 0.02 1 380 39 39 PRO HG2 H 2.04 0.02 1 381 39 39 PRO C C 175.9 0.3 1 382 39 39 PRO CA C 63.2 0.3 1 383 39 39 PRO CB C 34.4 0.3 1 384 39 39 PRO CD C 50.1 0.3 1 385 39 39 PRO CG C 27.2 0.3 1 386 40 40 GLN H H 8.76 0.02 1 387 40 40 GLN HA H 3.90 0.02 1 388 40 40 GLN HB2 H 2.16 0.02 2 389 40 40 GLN HB3 H 2.03 0.02 2 390 40 40 GLN HE21 H 7.51 0.02 1 391 40 40 GLN HE22 H 6.81 0.02 1 392 40 40 GLN HG2 H 2.39 0.02 2 393 40 40 GLN HG3 H 2.54 0.02 2 394 40 40 GLN C C 175.5 0.3 1 395 40 40 GLN CA C 60.3 0.3 1 396 40 40 GLN CB C 27.3 0.3 1 397 40 40 GLN CG C 33.9 0.3 1 398 40 40 GLN N N 129.0 0.3 1 399 40 40 GLN NE2 N 111.9 0.3 1 400 41 41 ALA H H 8.21 0.02 1 401 41 41 ALA HA H 4.49 0.02 1 402 41 41 ALA HB H 1.41 0.02 1 403 41 41 ALA C C 175.9 0.3 1 404 41 41 ALA CA C 49.8 0.3 1 405 41 41 ALA CB C 19.6 0.3 1 406 41 41 ALA N N 124.8 0.3 1 407 42 42 GLY H H 8.20 0.02 1 408 42 42 GLY HA2 H 4.23 0.02 2 409 42 42 GLY HA3 H 3.46 0.02 2 410 42 42 GLY C C 171.3 0.3 1 411 42 42 GLY CA C 44.2 0.3 1 412 42 42 GLY N N 108.3 0.3 1 413 43 43 PRO HA H 4.25 0.02 1 414 43 43 PRO HB2 H 1.97 0.02 2 415 43 43 PRO HB3 H 1.54 0.02 2 416 43 43 PRO HD2 H 3.62 0.02 1 417 43 43 PRO HG2 H 0.79 0.02 2 418 43 43 PRO HG3 H 1.01 0.02 2 419 43 43 PRO C C 175.1 0.3 1 420 43 43 PRO CA C 62.8 0.3 1 421 43 43 PRO CB C 33.0 0.3 1 422 43 43 PRO CD C 50.3 0.3 1 423 43 43 PRO CG C 25.3 0.3 1 424 44 44 ALA H H 8.30 0.02 1 425 44 44 ALA HA H 4.06 0.02 1 426 44 44 ALA HB H 1.45 0.02 1 427 44 44 ALA C C 176.7 0.3 1 428 44 44 ALA CA C 52.0 0.3 1 429 44 44 ALA CB C 18.7 0.3 1 430 44 44 ALA N N 126.9 0.3 1 431 45 45 ASP H H 8.61 0.02 1 432 45 45 ASP HA H 4.40 0.02 1 433 45 45 ASP HB2 H 2.64 0.02 2 434 45 45 ASP HB3 H 2.55 0.02 2 435 45 45 ASP C C 176.0 0.3 1 436 45 45 ASP CA C 56.4 0.3 1 437 45 45 ASP CB C 40.5 0.3 1 438 45 45 ASP N N 120.5 0.3 1 439 46 46 GLY H H 8.31 0.02 1 440 46 46 GLY HA2 H 3.89 0.02 2 441 46 46 GLY HA3 H 3.32 0.02 2 442 46 46 GLY C C 172.5 0.3 1 443 46 46 GLY CA C 45.0 0.3 1 444 46 46 GLY N N 112.7 0.3 1 445 47 47 HIS H H 8.35 0.02 1 446 47 47 HIS HA H 5.29 0.02 1 447 47 47 HIS HB2 H 3.16 0.02 2 448 47 47 HIS HB3 H 2.56 0.02 2 449 47 47 HIS HD2 H 6.78 0.02 1 450 47 47 HIS HE1 H 7.69 0.02 1 451 47 47 HIS C C 173.0 0.3 1 452 47 47 HIS CA C 53.1 0.3 1 453 47 47 HIS CB C 29.0 0.3 1 454 47 47 HIS CE1 C 134.3 0.3 1 455 47 47 HIS N N 119.3 0.3 1 456 48 48 ILE H H 7.75 0.02 1 457 48 48 ILE HA H 3.26 0.02 1 458 48 48 ILE HB H 1.35 0.02 1 459 48 48 ILE HD1 H 0.88 0.02 1 460 48 48 ILE HG12 H 0.64 0.02 2 461 48 48 ILE HG13 H 0.62 0.02 2 462 48 48 ILE HG2 H 0.33 0.02 1 463 48 48 ILE C C 177.3 0.3 1 464 48 48 ILE CA C 64.3 0.3 1 465 48 48 ILE CB C 39.8 0.3 1 466 48 48 ILE CD1 C 13.2 0.3 1 467 48 48 ILE CG1 C 24.8 0.3 1 468 48 48 ILE CG2 C 18.1 0.3 1 469 48 48 ILE N N 119.5 0.3 1 470 49 49 ALA H H 8.26 0.02 1 471 49 49 ALA HA H 3.73 0.02 1 472 49 49 ALA HB H 1.26 0.02 1 473 49 49 ALA C C 177.1 0.3 1 474 49 49 ALA CA C 54.8 0.3 1 475 49 49 ALA CB C 19.0 0.3 1 476 49 49 ALA N N 119.8 0.3 1 477 50 50 SER H H 8.16 0.02 1 478 50 50 SER HA H 4.20 0.02 1 479 50 50 SER HB2 H 4.45 0.02 2 480 50 50 SER HB3 H 3.83 0.02 2 481 50 50 SER C C 175.4 0.3 1 482 50 50 SER CA C 59.2 0.3 1 483 50 50 SER CB C 65.2 0.3 1 484 50 50 SER N N 109.3 0.3 1 485 51 51 ALA H H 7.79 0.02 1 486 51 51 ALA HA H 3.14 0.02 1 487 51 51 ALA HB H 1.36 0.02 1 488 51 51 ALA C C 175.8 0.3 1 489 51 51 ALA CA C 52.9 0.3 1 490 51 51 ALA CB C 18.5 0.3 1 491 51 51 ALA N N 121.2 0.3 1 492 52 52 ASP HA H 4.52 0.02 1 493 52 52 ASP HB2 H 3.33 0.02 2 494 52 52 ASP HB3 H 2.32 0.02 2 495 52 52 ASP C C 175.0 0.3 1 496 52 52 ASP CA C 55.1 0.3 1 497 52 52 ASP CB C 41.7 0.3 1 498 53 53 LYS H H 7.66 0.02 1 499 53 53 LYS HA H 4.32 0.02 1 500 53 53 LYS HB3 H 1.82 0.02 1 501 53 53 LYS HD2 H 1.70 0.02 1 502 53 53 LYS HE2 H 3.01 0.02 1 503 53 53 LYS HG2 H 1.43 0.02 1 504 53 53 LYS C C 176.9 0.3 1 505 53 53 LYS CA C 55.6 0.3 1 506 53 53 LYS CB C 32.2 0.3 1 507 53 53 LYS CD C 29.4 0.3 1 508 53 53 LYS CE C 42.7 0.3 1 509 53 53 LYS CG C 25.0 0.3 1 510 53 53 LYS N N 122.3 0.3 1 511 54 54 SER H H 8.44 0.02 1 512 54 54 SER HA H 1.58 0.02 1 513 54 54 SER HB2 H 3.35 0.02 1 514 54 54 SER C C 176.8 0.3 1 515 54 54 SER CA C 60.0 0.3 1 516 54 54 SER CB C 61.7 0.3 1 517 54 54 SER N N 124.2 0.3 1 518 55 55 THR H H 7.20 0.02 1 519 55 55 THR HA H 4.18 0.02 1 520 55 55 THR HB H 4.06 0.02 1 521 55 55 THR HG2 H 1.16 0.02 1 522 55 55 THR C C 174.5 0.3 1 523 55 55 THR CA C 63.3 0.3 1 524 55 55 THR CB C 68.6 0.3 1 525 55 55 THR CG2 C 22.5 0.3 1 526 55 55 THR N N 113.2 0.3 1 527 56 56 PHE H H 8.32 0.02 1 528 56 56 PHE HA H 6.15 0.02 1 529 56 56 PHE HB2 H 3.82 0.02 2 530 56 56 PHE HB3 H 3.51 0.02 2 531 56 56 PHE HD1 H 7.37 0.02 1 532 56 56 PHE HE1 H 7.23 0.02 1 533 56 56 PHE HZ H 7.31 0.02 1 534 56 56 PHE C C 177.1 0.3 1 535 56 56 PHE CA C 53.0 0.3 1 536 56 56 PHE CB C 38.4 0.3 1 537 56 56 PHE N N 120.1 0.3 1 538 57 57 PHE H H 7.47 0.02 1 539 57 57 PHE HA H 5.13 0.02 1 540 57 57 PHE HB2 H 3.59 0.02 2 541 57 57 PHE HB3 H 3.43 0.02 2 542 57 57 PHE C C 178.8 0.3 1 543 57 57 PHE CA C 57.0 0.3 1 544 57 57 PHE CB C 36.7 0.3 1 545 57 57 PHE N N 119.2 0.3 1 546 58 58 GLU H H 11.40 0.02 1 547 58 58 GLU HA H 4.18 0.02 1 548 58 58 GLU HB2 H 2.30 0.02 2 549 58 58 GLU HB3 H 2.04 0.02 2 550 58 58 GLU HG2 H 2.48 0.02 2 551 58 58 GLU HG3 H 2.35 0.02 2 552 58 58 GLU C C 180.3 0.3 1 553 58 58 GLU CA C 63.1 0.3 1 554 58 58 GLU CB C 27.1 0.3 1 555 58 58 GLU CG C 37.8 0.3 1 556 58 58 GLU N N 130.1 0.3 1 557 59 59 LEU H H 8.43 0.02 1 558 59 59 LEU HA H 4.29 0.02 1 559 59 59 LEU HB2 H 1.86 0.02 2 560 59 59 LEU HB3 H 1.12 0.02 2 561 59 59 LEU HD1 H 0.53 0.02 1 562 59 59 LEU HG H 0.96 0.02 1 563 59 59 LEU C C 175.9 0.3 1 564 59 59 LEU CA C 56.3 0.3 1 565 59 59 LEU CB C 42.3 0.3 1 566 59 59 LEU CD1 C 22.4 0.3 1 567 59 59 LEU CG C 26.9 0.3 1 568 59 59 LEU N N 112.7 0.3 1 569 60 60 ASP H H 8.13 0.02 1 570 60 60 ASP HA H 4.81 0.02 1 571 60 60 ASP HB2 H 3.12 0.02 2 572 60 60 ASP HB3 H 2.86 0.02 2 573 60 60 ASP C C 179.7 0.3 1 574 60 60 ASP CA C 54.6 0.3 1 575 60 60 ASP CB C 42.0 0.3 1 576 60 60 ASP N N 114.0 0.3 1 577 61 61 GLN H H 7.75 0.02 1 578 61 61 GLN HA H 4.21 0.02 1 579 61 61 GLN HB2 H 2.26 0.02 2 580 61 61 GLN HB3 H 1.95 0.02 2 581 61 61 GLN HE21 H 7.75 0.02 1 582 61 61 GLN HG2 H 2.79 0.02 2 583 61 61 GLN HG3 H 2.50 0.02 2 584 61 61 GLN C C 176.8 0.3 1 585 61 61 GLN CA C 57.3 0.3 1 586 61 61 GLN CB C 28.3 0.3 1 587 61 61 GLN CG C 33.7 0.3 1 588 61 61 GLN N N 123.5 0.3 1 589 61 61 GLN NE2 N 111.6 0.3 1 590 62 62 GLN H H 9.26 0.02 1 591 62 62 GLN HA H 4.25 0.02 1 592 62 62 GLN HB2 H 2.15 0.02 2 593 62 62 GLN HB3 H 1.70 0.02 2 594 62 62 GLN HE21 H 7.33 0.02 1 595 62 62 GLN HG2 H 2.71 0.02 2 596 62 62 GLN HG3 H 2.48 0.02 2 597 62 62 GLN C C 171.9 0.3 1 598 62 62 GLN CA C 57.6 0.3 1 599 62 62 GLN CB C 30.9 0.3 1 600 62 62 GLN CG C 32.8 0.3 1 601 62 62 GLN N N 126.4 0.3 1 602 62 62 GLN NE2 N 111.6 0.3 1 603 63 63 THR H H 6.96 0.02 1 604 63 63 THR HA H 4.94 0.02 1 605 63 63 THR HB H 4.59 0.02 1 606 63 63 THR HG2 H 1.10 0.02 1 607 63 63 THR C C 173.6 0.3 1 608 63 63 THR CA C 59.1 0.3 1 609 63 63 THR CB C 68.9 0.3 1 610 63 63 THR CG2 C 21.2 0.3 1 611 63 63 THR N N 117.2 0.3 1 612 64 64 PRO HA H 4.28 0.02 1 613 64 64 PRO HB2 H 2.42 0.02 2 614 64 64 PRO HB3 H 1.89 0.02 2 615 64 64 PRO HD2 H 3.83 0.02 2 616 64 64 PRO HD3 H 3.68 0.02 2 617 64 64 PRO HG2 H 1.56 0.02 2 618 64 64 PRO HG3 H 2.09 0.02 2 619 64 64 PRO C C 177.5 0.3 1 620 64 64 PRO CA C 64.9 0.3 1 621 64 64 PRO CB C 32.3 0.3 1 622 64 64 PRO CD C 50.7 0.3 1 623 65 65 THR H H 7.42 0.02 1 624 65 65 THR HA H 4.50 0.02 1 625 65 65 THR HB H 4.43 0.02 1 626 65 65 THR HG2 H 1.06 0.02 1 627 65 65 THR C C 174.6 0.3 1 628 65 65 THR CA C 59.8 0.3 1 629 65 65 THR CB C 69.3 0.3 1 630 65 65 THR CG2 C 21.2 0.3 1 631 65 65 THR N N 103.1 0.3 1 632 66 66 ARG H H 6.97 0.02 1 633 66 66 ARG HA H 3.56 0.02 1 634 66 66 ARG HB2 H 1.92 0.02 2 635 66 66 ARG HB3 H 0.90 0.02 2 636 66 66 ARG HD2 H 2.65 0.02 2 637 66 66 ARG HD3 H 2.48 0.02 2 638 66 66 ARG HG2 H 1.44 0.02 1 639 66 66 ARG C C 175.1 0.3 1 640 66 66 ARG CA C 57.2 0.3 1 641 66 66 ARG CB C 30.4 0.3 1 642 66 66 ARG CD C 40.1 0.3 1 643 66 66 ARG CG C 29.2 0.3 1 644 66 66 ARG N N 124.3 0.3 1 645 67 67 TRP H H 8.11 0.02 1 646 67 67 TRP HA H 5.07 0.02 1 647 67 67 TRP HB2 H 3.52 0.02 2 648 67 67 TRP HB3 H 2.72 0.02 2 649 67 67 TRP HD1 H 7.03 0.02 1 650 67 67 TRP HE1 H 9.93 0.02 1 651 67 67 TRP HZ2 H 6.47 0.02 1 652 67 67 TRP C C 175.6 0.3 1 653 67 67 TRP CA C 53.5 0.3 1 654 67 67 TRP CB C 32.4 0.3 1 655 67 67 TRP N N 116.5 0.3 1 656 67 67 TRP NE1 N 132.7 0.3 1 657 68 68 ASN H H 9.63 0.02 1 658 68 68 ASN HA H 4.56 0.02 1 659 68 68 ASN HB2 H 3.13 0.02 2 660 68 68 ASN HB3 H 2.52 0.02 2 661 68 68 ASN HD21 H 8.61 0.02 1 662 68 68 ASN HD22 H 7.21 0.02 1 663 68 68 ASN C C 174.9 0.3 1 664 68 68 ASN CA C 54.9 0.3 1 665 68 68 ASN CB C 38.6 0.3 1 666 68 68 ASN N N 124.2 0.3 1 667 68 68 ASN ND2 N 117.6 0.3 1 668 69 69 LYS H H 8.48 0.02 1 669 69 69 LYS HA H 4.51 0.02 1 670 69 69 LYS HB2 H 1.61 0.02 2 671 69 69 LYS HB3 H 1.39 0.02 2 672 69 69 LYS HD2 H 1.89 0.02 1 673 69 69 LYS HE2 H 3.34 0.02 2 674 69 69 LYS HE3 H 3.13 0.02 2 675 69 69 LYS HG2 H 1.65 0.02 1 676 69 69 LYS C C 176.7 0.3 1 677 69 69 LYS CA C 54.7 0.3 1 678 69 69 LYS CB C 34.1 0.3 1 679 69 69 LYS CD C 32.0 0.3 1 680 69 69 LYS CE C 42.2 0.3 1 681 69 69 LYS CG C 25.0 0.3 1 682 69 69 LYS N N 126.7 0.3 1 683 70 70 LEU H H 8.33 0.02 1 684 70 70 LEU HA H 4.56 0.02 1 685 70 70 LEU HB2 H 1.61 0.02 2 686 70 70 LEU HB3 H 1.48 0.02 2 687 70 70 LEU HD1 H 1.05 0.02 1 688 70 70 LEU HD2 H 0.95 0.02 1 689 70 70 LEU HG H 1.73 0.02 1 690 70 70 LEU C C 176.3 0.3 1 691 70 70 LEU CA C 53.4 0.3 1 692 70 70 LEU CB C 41.8 0.3 1 693 70 70 LEU CD1 C 26.7 0.3 1 694 70 70 LEU CD2 C 23.3 0.3 1 695 70 70 LEU CG C 27.7 0.3 1 696 70 70 LEU N N 124.2 0.3 1 697 71 71 ASN H H 8.89 0.02 1 698 71 71 ASN HA H 5.46 0.02 1 699 71 71 ASN HB2 H 2.80 0.02 2 700 71 71 ASN HB3 H 2.77 0.02 2 701 71 71 ASN HD21 H 7.62 0.02 1 702 71 71 ASN HD22 H 7.02 0.02 1 703 71 71 ASN C C 172.1 0.3 1 704 71 71 ASN CA C 53.1 0.3 1 705 71 71 ASN CB C 38.1 0.3 1 706 71 71 ASN N N 123.0 0.3 1 707 71 71 ASN ND2 N 114.8 0.3 1 708 72 72 LEU H H 8.30 0.02 1 709 72 72 LEU HA H 4.76 0.02 1 710 72 72 LEU HB2 H 1.63 0.02 2 711 72 72 LEU HB3 H 1.27 0.02 2 712 72 72 LEU HD1 H 0.82 0.02 1 713 72 72 LEU HD2 H 0.66 0.02 1 714 72 72 LEU HG H 1.51 0.02 1 715 72 72 LEU C C 175.5 0.3 1 716 72 72 LEU CA C 53.2 0.3 1 717 72 72 LEU CB C 46.5 0.3 1 718 72 72 LEU CD1 C 23.0 0.3 1 719 72 72 LEU CD2 C 25.7 0.3 1 720 72 72 LEU CG C 27.3 0.3 1 721 72 72 LEU N N 126.8 0.3 1 722 73 73 LYS H H 8.68 0.02 1 723 73 73 LYS HA H 5.26 0.02 1 724 73 73 LYS HB2 H 1.94 0.02 2 725 73 73 LYS HB3 H 1.71 0.02 2 726 73 73 LYS HD2 H 2.29 0.02 1 727 73 73 LYS HE2 H 2.95 0.02 1 728 73 73 LYS HG2 H 1.45 0.02 1 729 73 73 LYS C C 177.7 0.3 1 730 73 73 LYS CA C 53.4 0.3 1 731 73 73 LYS CB C 34.2 0.3 1 732 73 73 LYS CD C 30.4 0.3 1 733 73 73 LYS CE C 39.8 0.3 1 734 73 73 LYS CG C 24.5 0.3 1 735 73 73 LYS N N 121.2 0.3 1 736 74 74 THR H H 8.02 0.02 1 737 74 74 THR HA H 3.83 0.02 1 738 74 74 THR HB H 4.18 0.02 1 739 74 74 THR HG2 H 1.28 0.02 1 740 74 74 THR C C 174.0 0.3 1 741 74 74 THR CA C 62.4 0.3 1 742 74 74 THR CB C 69.3 0.3 1 743 74 74 THR CG2 C 23.2 0.3 1 744 74 74 THR N N 109.0 0.3 1 745 75 75 GLY H H 8.75 0.02 1 746 75 75 GLY HA2 H 4.62 0.02 2 747 75 75 GLY HA3 H 3.84 0.02 2 748 75 75 GLY C C 178.8 0.3 1 749 75 75 GLY CA C 44.3 0.3 1 750 75 75 GLY N N 108.7 0.3 1 751 76 76 PRO HA H 4.79 0.02 1 752 76 76 PRO HB2 H 2.23 0.02 2 753 76 76 PRO HB3 H 1.92 0.02 2 754 76 76 PRO HD2 H 3.82 0.02 2 755 76 76 PRO HD3 H 3.69 0.02 2 756 76 76 PRO HG2 H 2.15 0.02 2 757 76 76 PRO HG3 H 2.03 0.02 2 758 76 76 PRO C C 177.1 0.3 1 759 76 76 PRO CA C 64.2 0.3 1 760 76 76 PRO CB C 31.8 0.3 1 761 76 76 PRO CD C 50.3 0.3 1 762 76 76 PRO CG C 27.5 0.3 1 763 77 77 ASN H H 9.40 0.02 1 764 77 77 ASN HA H 4.83 0.02 1 765 77 77 ASN HB2 H 2.35 0.02 2 766 77 77 ASN HB3 H 2.02 0.02 2 767 77 77 ASN HD21 H 7.62 0.02 1 768 77 77 ASN HD22 H 6.97 0.02 1 769 77 77 ASN C C 172.7 0.3 1 770 77 77 ASN CA C 53.2 0.3 1 771 77 77 ASN CB C 46.4 0.3 1 772 77 77 ASN N N 126.7 0.3 1 773 77 77 ASN ND2 N 115.9 0.3 1 774 78 78 SER H H 8.45 0.02 1 775 78 78 SER HA H 5.31 0.02 1 776 78 78 SER HB2 H 3.49 0.02 1 777 78 78 SER C C 173.0 0.3 1 778 78 78 SER CA C 56.9 0.3 1 779 78 78 SER CB C 64.4 0.3 1 780 78 78 SER N N 116.5 0.3 1 781 79 79 PHE H H 9.11 0.02 1 782 79 79 PHE HA H 5.13 0.02 1 783 79 79 PHE HB2 H 3.11 0.02 2 784 79 79 PHE HB3 H 2.85 0.02 2 785 79 79 PHE HD1 H 6.89 0.02 1 786 79 79 PHE HE1 H 7.25 0.02 1 787 79 79 PHE HZ H 7.47 0.02 1 788 79 79 PHE C C 174.5 0.3 1 789 79 79 PHE CA C 55.8 0.3 1 790 79 79 PHE CB C 42.3 0.3 1 791 79 79 PHE N N 125.0 0.3 1 792 80 80 THR H H 9.39 0.02 1 793 80 80 THR HA H 5.46 0.02 1 794 80 80 THR HB H 3.78 0.02 1 795 80 80 THR HG2 H 0.93 0.02 1 796 80 80 THR C C 174.2 0.3 1 797 80 80 THR CA C 61.1 0.3 1 798 80 80 THR CB C 71.3 0.3 1 799 80 80 THR CG2 C 21.4 0.3 1 800 80 80 THR N N 119.7 0.3 1 801 81 81 TRP H H 9.53 0.02 1 802 81 81 TRP HA H 4.85 0.02 1 803 81 81 TRP HB2 H 2.60 0.02 2 804 81 81 TRP HB3 H 2.28 0.02 2 805 81 81 TRP HD1 H 6.60 0.02 1 806 81 81 TRP HE1 H 10.87 0.02 1 807 81 81 TRP HE3 H 8.42 0.02 1 808 81 81 TRP HH2 H 7.61 0.02 1 809 81 81 TRP HZ2 H 7.98 0.02 1 810 81 81 TRP C C 175.3 0.3 1 811 81 81 TRP CA C 56.6 0.3 1 812 81 81 TRP CB C 30.5 0.3 1 813 81 81 TRP N N 129.1 0.3 1 814 81 81 TRP NE1 N 129.0 0.3 1 815 82 82 LYS H H 8.53 0.02 1 816 82 82 LYS HA H 4.49 0.02 1 817 82 82 LYS HB2 H 1.07 0.02 2 818 82 82 LYS HB3 H 0.89 0.02 2 819 82 82 LYS HD2 H 1.50 0.02 1 820 82 82 LYS HE2 H 2.87 0.02 2 821 82 82 LYS HE3 H 2.78 0.02 2 822 82 82 LYS HG2 H 0.95 0.02 1 823 82 82 LYS C C 174.0 0.3 1 824 82 82 LYS CA C 54.3 0.3 1 825 82 82 LYS CB C 33.7 0.3 1 826 82 82 LYS CD C 28.0 0.3 1 827 82 82 LYS CE C 41.5 0.3 1 828 82 82 LYS CG C 24.2 0.3 1 829 82 82 LYS N N 122.6 0.3 1 830 83 83 LEU H H 8.69 0.02 1 831 83 83 LEU HA H 5.06 0.02 1 832 83 83 LEU HB2 H 1.70 0.02 2 833 83 83 LEU HB3 H 1.29 0.02 2 834 83 83 LEU HD1 H 0.62 0.02 1 835 83 83 LEU HD2 H 0.28 0.02 1 836 83 83 LEU HG H 1.31 0.02 1 837 83 83 LEU C C 177.6 0.3 1 838 83 83 LEU CA C 53.6 0.3 1 839 83 83 LEU CB C 41.9 0.3 1 840 83 83 LEU CD1 C 25.6 0.3 1 841 83 83 LEU CD2 C 24.0 0.3 1 842 83 83 LEU CG C 27.7 0.3 1 843 83 83 LEU N N 125.3 0.3 1 844 84 84 THR H H 8.69 0.02 1 845 84 84 THR HA H 4.24 0.02 1 846 84 84 THR HB H 4.32 0.02 1 847 84 84 THR HG2 H 1.05 0.02 1 848 84 84 THR C C 175.4 0.3 1 849 84 84 THR CA C 62.7 0.3 1 850 84 84 THR CB C 67.7 0.3 1 851 84 84 THR CG2 C 21.3 0.3 1 852 84 84 THR N N 116.4 0.3 1 853 85 85 ALA H H 8.07 0.02 1 854 85 85 ALA HA H 4.54 0.02 1 855 85 85 ALA HB H 1.34 0.02 1 856 85 85 ALA C C 174.9 0.3 1 857 85 85 ALA CA C 52.4 0.3 1 858 85 85 ALA CB C 21.0 0.3 1 859 85 85 ALA N N 126.3 0.3 1 860 86 86 ARG HA H 4.10 0.02 1 861 86 86 ARG HB2 H 1.87 0.02 2 862 86 86 ARG HB3 H 1.48 0.02 2 863 86 86 ARG HD2 H 3.09 0.02 1 864 86 86 ARG HG2 H 1.16 0.02 1 865 86 86 ARG C C 174.9 0.3 1 866 86 86 ARG CA C 55.7 0.3 1 867 86 86 ARG CB C 29.6 0.3 1 868 86 86 ARG CD C 44.4 0.3 1 869 86 86 ARG CG C 27.5 0.3 1 870 87 87 HIS H H 6.62 0.02 1 871 87 87 HIS HA H 4.80 0.02 1 872 87 87 HIS HB2 H 3.34 0.02 2 873 87 87 HIS HB3 H 2.66 0.02 2 874 87 87 HIS HD2 H 7.03 0.02 1 875 87 87 HIS HE1 H 7.98 0.02 1 876 87 87 HIS C C 174.0 0.3 1 877 87 87 HIS CA C 54.4 0.3 1 878 87 87 HIS CB C 32.7 0.3 1 879 87 87 HIS CE1 C 137.2 0.3 1 880 87 87 HIS N N 118.5 0.3 1 881 88 88 SER H H 9.05 0.02 1 882 88 88 SER HA H 3.92 0.02 1 883 88 88 SER HB2 H 3.72 0.02 1 884 88 88 SER C C 175.3 0.3 1 885 88 88 SER CA C 59.4 0.3 1 886 88 88 SER CB C 62.9 0.3 1 887 88 88 SER N N 117.8 0.3 1 888 89 89 THR H H 8.18 0.02 1 889 89 89 THR HA H 4.38 0.02 1 890 89 89 THR HB H 4.21 0.02 1 891 89 89 THR HG2 H 0.76 0.02 1 892 89 89 THR C C 173.2 0.3 1 893 89 89 THR CA C 65.0 0.3 1 894 89 89 THR CB C 72.5 0.3 1 895 89 89 THR CG2 C 20.4 0.3 1 896 89 89 THR N N 125.4 0.3 1 897 90 90 THR H H 8.68 0.02 1 898 90 90 THR HA H 4.27 0.02 1 899 90 90 THR HB H 3.63 0.02 1 900 90 90 THR HG2 H 1.23 0.02 1 901 90 90 THR C C 174.1 0.3 1 902 90 90 THR CA C 65.2 0.3 1 903 90 90 THR CB C 69.1 0.3 1 904 90 90 THR CG2 C 22.0 0.3 1 905 90 90 THR N N 125.3 0.3 1 906 91 91 SER H H 7.51 0.02 1 907 91 91 SER HA H 5.40 0.02 1 908 91 91 SER HB2 H 4.11 0.02 2 909 91 91 SER HB3 H 3.90 0.02 2 910 91 91 SER C C 170.4 0.3 1 911 91 91 SER CA C 56.9 0.3 1 912 91 91 SER CB C 66.4 0.3 1 913 91 91 SER N N 113.0 0.3 1 914 92 92 TRP H H 8.92 0.02 1 915 92 92 TRP HA H 5.29 0.02 1 916 92 92 TRP HB2 H 3.03 0.02 2 917 92 92 TRP HB3 H 2.75 0.02 2 918 92 92 TRP HD1 H 6.92 0.02 1 919 92 92 TRP HE1 H 10.86 0.02 1 920 92 92 TRP HZ2 H 6.47 0.02 1 921 92 92 TRP C C 176.0 0.3 1 922 92 92 TRP CA C 54.6 0.3 1 923 92 92 TRP CB C 30.8 0.3 1 924 92 92 TRP N N 122.4 0.3 1 925 92 92 TRP NE1 N 134.7 0.3 1 926 93 93 ARG H H 9.01 0.02 1 927 93 93 ARG HA H 4.97 0.02 1 928 93 93 ARG HB2 H 1.71 0.02 2 929 93 93 ARG HB3 H 1.13 0.02 2 930 93 93 ARG HD2 H 3.30 0.02 1 931 93 93 ARG HG2 H 1.57 0.02 1 932 93 93 ARG C C 173.1 0.3 1 933 93 93 ARG CA C 54.7 0.3 1 934 93 93 ARG CB C 36.5 0.3 1 935 93 93 ARG CD C 43.3 0.3 1 936 93 93 ARG CG C 27.2 0.3 1 937 93 93 ARG N N 122.1 0.3 1 938 94 94 TYR H H 8.00 0.02 1 939 94 94 TYR HA H 5.18 0.02 1 940 94 94 TYR HB2 H 1.91 0.02 2 941 94 94 TYR HB3 H 1.57 0.02 2 942 94 94 TYR HD1 H 6.30 0.02 1 943 94 94 TYR C C 176.2 0.3 1 944 94 94 TYR CA C 56.3 0.3 1 945 94 94 TYR CB C 40.3 0.3 1 946 94 94 TYR N N 119.7 0.3 1 947 95 95 PHE H H 9.25 0.02 1 948 95 95 PHE HA H 5.73 0.02 1 949 95 95 PHE HB2 H 3.24 0.02 2 950 95 95 PHE HB3 H 2.75 0.02 2 951 95 95 PHE C C 175.6 0.3 1 952 95 95 PHE CA C 55.4 0.3 1 953 95 95 PHE CB C 42.3 0.3 1 954 95 95 PHE N N 122.1 0.3 1 955 96 96 ILE H H 9.87 0.02 1 956 96 96 ILE HA H 5.95 0.02 1 957 96 96 ILE HB H 1.70 0.02 1 958 96 96 ILE HD1 H 0.33 0.02 1 959 96 96 ILE HG12 H 1.69 0.02 2 960 96 96 ILE HG13 H 1.53 0.02 2 961 96 96 ILE HG2 H 0.80 0.02 1 962 96 96 ILE C C 173.1 0.3 1 963 96 96 ILE CA C 59.2 0.3 1 964 96 96 ILE CB C 42.2 0.3 1 965 96 96 ILE CD1 C 15.0 0.3 1 966 96 96 ILE CG1 C 28.9 0.3 1 967 96 96 ILE CG2 C 14.5 0.3 1 968 96 96 ILE N N 122.7 0.3 1 969 97 97 THR H H 7.92 0.02 1 970 97 97 THR HA H 4.04 0.02 1 971 97 97 THR HB H 3.51 0.02 1 972 97 97 THR HG2 H -0.43 0.02 1 973 97 97 THR C C 175.9 0.3 1 974 97 97 THR CA C 61.2 0.3 1 975 97 97 THR CB C 68.8 0.3 1 976 97 97 THR CG2 C 23.0 0.3 1 977 97 97 THR N N 119.0 0.3 1 978 98 98 LYS H H 8.21 0.02 1 979 98 98 LYS HA H 4.30 0.02 1 980 98 98 LYS HB2 H 2.04 0.02 2 981 98 98 LYS HB3 H 1.64 0.02 2 982 98 98 LYS HD2 H 1.70 0.02 1 983 98 98 LYS HE2 H 3.01 0.02 1 984 98 98 LYS HG2 H 1.46 0.02 1 985 98 98 LYS C C 174.5 0.3 1 986 98 98 LYS CA C 56.1 0.3 1 987 98 98 LYS CB C 32.4 0.3 1 988 98 98 LYS CD C 29.4 0.3 1 989 98 98 LYS CE C 41.7 0.3 1 990 98 98 LYS CG C 24.6 0.3 1 991 98 98 LYS N N 121.5 0.3 1 992 99 99 PRO HA H 4.58 0.02 1 993 99 99 PRO HB2 H 2.58 0.02 2 994 99 99 PRO HB3 H 2.01 0.02 2 995 99 99 PRO HD2 H 3.76 0.02 2 996 99 99 PRO HD3 H 3.71 0.02 2 997 99 99 PRO HG2 H 2.25 0.02 2 998 99 99 PRO HG3 H 1.87 0.02 2 999 99 99 PRO CA C 65.4 0.3 1 1000 99 99 PRO CB C 31.9 0.3 1 1001 99 99 PRO CD C 49.4 0.3 1 1002 99 99 PRO CG C 28.5 0.3 1 1003 100 100 ASN H H 8.55 0.02 1 1004 100 100 ASN HA H 4.90 0.02 1 1005 100 100 ASN HB2 H 3.01 0.02 2 1006 100 100 ASN HB3 H 2.92 0.02 2 1007 100 100 ASN HD21 H 7.66 0.02 1 1008 100 100 ASN C C 175.1 0.3 1 1009 100 100 ASN CA C 52.5 0.3 1 1010 100 100 ASN CB C 37.3 0.3 1 1011 100 100 ASN N N 113.8 0.3 1 1012 100 100 ASN ND2 N 113.6 0.3 1 1013 101 101 TRP H H 7.86 0.02 1 1014 101 101 TRP HA H 4.50 0.02 1 1015 101 101 TRP HB2 H 3.51 0.02 2 1016 101 101 TRP HB3 H 3.47 0.02 2 1017 101 101 TRP HD1 H 7.61 0.02 1 1018 101 101 TRP HE1 H 10.12 0.02 1 1019 101 101 TRP HE3 H 6.90 0.02 1 1020 101 101 TRP HH2 H 7.26 0.02 1 1021 101 101 TRP HZ2 H 7.07 0.02 1 1022 101 101 TRP HZ3 H 7.46 0.02 1 1023 101 101 TRP C C 173.0 0.3 1 1024 101 101 TRP CA C 57.5 0.3 1 1025 101 101 TRP CB C 27.3 0.3 1 1026 101 101 TRP N N 121.5 0.3 1 1027 101 101 TRP NE1 N 132.3 0.3 1 1028 102 102 ASP H H 8.85 0.02 1 1029 102 102 ASP HA H 4.32 0.02 1 1030 102 102 ASP HB2 H 2.91 0.02 2 1031 102 102 ASP HB3 H 2.35 0.02 2 1032 102 102 ASP C C 174.8 0.3 1 1033 102 102 ASP CA C 52.0 0.3 1 1034 102 102 ASP CB C 41.4 0.3 1 1035 102 102 ASP N N 120.3 0.3 1 1036 103 103 ALA H H 7.46 0.02 1 1037 103 103 ALA HA H 3.43 0.02 1 1038 103 103 ALA HB H 0.57 0.02 1 1039 103 103 ALA C C 176.0 0.3 1 1040 103 103 ALA CA C 52.3 0.3 1 1041 103 103 ALA CB C 18.6 0.3 1 1042 103 103 ALA N N 128.6 0.3 1 1043 104 104 SER H H 8.42 0.02 1 1044 104 104 SER HA H 4.50 0.02 1 1045 104 104 SER HB2 H 4.06 0.02 2 1046 104 104 SER HB3 H 3.77 0.02 2 1047 104 104 SER C C 173.1 0.3 1 1048 104 104 SER CA C 57.9 0.3 1 1049 104 104 SER CB C 64.3 0.3 1 1050 104 104 SER N N 112.2 0.3 1 1051 105 105 GLN H H 7.28 0.02 1 1052 105 105 GLN HA H 4.90 0.02 1 1053 105 105 GLN HB2 H 2.12 0.02 2 1054 105 105 GLN HB3 H 1.74 0.02 2 1055 105 105 GLN HE21 H 7.43 0.02 1 1056 105 105 GLN HE22 H 6.76 0.02 1 1057 105 105 GLN HG2 H 3.02 0.02 1 1058 105 105 GLN C C 178.3 0.3 1 1059 105 105 GLN CA C 52.3 0.3 1 1060 105 105 GLN CB C 30.0 0.3 1 1061 105 105 GLN CG C 38.2 0.3 1 1062 105 105 GLN N N 121.8 0.3 1 1063 105 105 GLN NE2 N 112.4 0.3 1 1064 106 106 PRO HA H 4.34 0.02 1 1065 106 106 PRO HB2 H 2.34 0.02 2 1066 106 106 PRO HB3 H 1.65 0.02 2 1067 106 106 PRO HD2 H 3.92 0.02 2 1068 106 106 PRO HD3 H 3.60 0.02 2 1069 106 106 PRO HG2 H 2.05 0.02 1 1070 106 106 PRO C C 173.1 0.3 1 1071 106 106 PRO CA C 62.4 0.3 1 1072 106 106 PRO CB C 32.6 0.3 1 1073 106 106 PRO CD C 50.0 0.3 1 1074 106 106 PRO CG C 27.5 0.3 1 1075 107 107 LEU H H 9.27 0.02 1 1076 107 107 LEU HA H 4.37 0.02 1 1077 107 107 LEU HB2 H 2.09 0.02 2 1078 107 107 LEU HB3 H 1.28 0.02 2 1079 107 107 LEU HD1 H 1.04 0.02 1 1080 107 107 LEU HD2 H 0.81 0.02 1 1081 107 107 LEU HG H 1.88 0.02 1 1082 107 107 LEU C C 176.0 0.3 1 1083 107 107 LEU CA C 55.3 0.3 1 1084 107 107 LEU CB C 42.1 0.3 1 1085 107 107 LEU CD1 C 25.9 0.3 1 1086 107 107 LEU CD2 C 22.5 0.3 1 1087 107 107 LEU CG C 26.7 0.3 1 1088 107 107 LEU N N 122.1 0.3 1 1089 108 108 THR H H 8.52 0.02 1 1090 108 108 THR HA H 4.63 0.02 1 1091 108 108 THR HB H 4.36 0.02 1 1092 108 108 THR HG2 H 1.19 0.02 1 1093 108 108 THR C C 175.9 0.3 1 1094 108 108 THR CA C 59.5 0.3 1 1095 108 108 THR CB C 72.9 0.3 1 1096 108 108 THR CG2 C 21.6 0.3 1 1097 108 108 THR N N 112.5 0.3 1 1098 109 109 ARG H H 9.49 0.02 1 1099 109 109 ARG HA H 3.90 0.02 1 1100 109 109 ARG HB2 H 2.06 0.02 2 1101 109 109 ARG HB3 H 1.76 0.02 2 1102 109 109 ARG HD2 H 2.86 0.02 2 1103 109 109 ARG HD3 H 2.79 0.02 2 1104 109 109 ARG HG2 H 1.04 0.02 2 1105 109 109 ARG HG3 H 0.94 0.02 2 1106 109 109 ARG C C 177.2 0.3 1 1107 109 109 ARG CA C 62.2 0.3 1 1108 109 109 ARG CB C 28.7 0.3 1 1109 109 109 ARG CD C 41.7 0.3 1 1110 109 109 ARG CG C 24.0 0.3 1 1111 109 109 ARG N N 122.7 0.3 1 1112 110 110 ALA H H 7.97 0.02 1 1113 110 110 ALA HA H 4.29 0.02 1 1114 110 110 ALA HB H 1.42 0.02 1 1115 110 110 ALA C C 179.7 0.3 1 1116 110 110 ALA CA C 53.6 0.3 1 1117 110 110 ALA CB C 18.0 0.3 1 1118 110 110 ALA N N 118.5 0.3 1 1119 111 111 SER H H 8.16 0.02 1 1120 111 111 SER HA H 4.47 0.02 1 1121 111 111 SER HB2 H 3.85 0.02 2 1122 111 111 SER HB3 H 3.81 0.02 2 1123 111 111 SER C C 173.6 0.3 1 1124 111 111 SER CA C 60.7 0.3 1 1125 111 111 SER CB C 63.6 0.3 1 1126 111 111 SER N N 114.9 0.3 1 1127 112 112 PHE H H 7.55 0.02 1 1128 112 112 PHE HA H 4.48 0.02 1 1129 112 112 PHE HB2 H 2.91 0.02 2 1130 112 112 PHE HB3 H 2.68 0.02 2 1131 112 112 PHE HD1 H 7.16 0.02 1 1132 112 112 PHE HE1 H 7.04 0.02 1 1133 112 112 PHE HZ H 6.78 0.02 1 1134 112 112 PHE C C 174.6 0.3 1 1135 112 112 PHE CA C 59.0 0.3 1 1136 112 112 PHE CB C 42.2 0.3 1 1137 112 112 PHE N N 114.7 0.3 1 1138 113 113 ASP H H 8.15 0.02 1 1139 113 113 ASP HA H 4.80 0.02 1 1140 113 113 ASP HB2 H 3.41 0.02 2 1141 113 113 ASP HB3 H 2.53 0.02 2 1142 113 113 ASP C C 177.7 0.3 1 1143 113 113 ASP CA C 53.6 0.3 1 1144 113 113 ASP CB C 40.6 0.3 1 1145 113 113 ASP N N 119.4 0.3 1 1146 114 114 LEU H H 8.82 0.02 1 1147 114 114 LEU HA H 4.49 0.02 1 1148 114 114 LEU HB2 H 1.83 0.02 2 1149 114 114 LEU HB3 H 1.67 0.02 2 1150 114 114 LEU HD1 H 0.85 0.02 1 1151 114 114 LEU HD2 H 0.58 0.02 1 1152 114 114 LEU HG H 1.95 0.02 1 1153 114 114 LEU C C 174.5 0.3 1 1154 114 114 LEU CA C 55.6 0.3 1 1155 114 114 LEU CB C 40.0 0.3 1 1156 114 114 LEU CD1 C 25.5 0.3 1 1157 114 114 LEU CD2 C 21.9 0.3 1 1158 114 114 LEU CG C 25.6 0.3 1 1159 114 114 LEU N N 126.5 0.3 1 1160 115 115 THR H H 8.26 0.02 1 1161 115 115 THR HA H 4.78 0.02 1 1162 115 115 THR HB H 4.23 0.02 1 1163 115 115 THR HG2 H 1.23 0.02 1 1164 115 115 THR C C 172.4 0.3 1 1165 115 115 THR CA C 59.8 0.3 1 1166 115 115 THR CB C 68.8 0.3 1 1167 115 115 THR CG2 C 20.8 0.3 1 1168 115 115 THR N N 120.6 0.3 1 1169 116 116 PRO HA H 3.98 0.02 1 1170 116 116 PRO HB2 H 1.43 0.02 2 1171 116 116 PRO HB3 H 1.01 0.02 2 1172 116 116 PRO HD2 H 3.83 0.02 2 1173 116 116 PRO HD3 H 4.02 0.02 2 1174 116 116 PRO HG2 H 1.88 0.02 1 1175 116 116 PRO CA C 63.3 0.3 1 1176 116 116 PRO CB C 31.4 0.3 1 1177 116 116 PRO CD C 50.9 0.3 1 1178 116 116 PRO CG C 26.9 0.3 1 1179 117 117 PHE HA H 4.85 0.02 1 1180 117 117 PHE HB2 H 3.51 0.02 2 1181 117 117 PHE HB3 H 3.12 0.02 2 1182 117 117 PHE HD1 H 7.28 0.02 1 1183 117 117 PHE C C 174.3 0.3 1 1184 117 117 PHE CA C 56.5 0.3 1 1185 117 117 PHE CB C 38.3 0.3 1 1186 118 118 CYS H H 6.99 0.02 1 1187 118 118 CYS HA H 4.39 0.02 1 1188 118 118 CYS HB2 H 2.77 0.02 2 1189 118 118 CYS HB3 H 2.24 0.02 2 1190 118 118 CYS C C 171.5 0.3 1 1191 118 118 CYS CA C 53.5 0.3 1 1192 118 118 CYS CB C 41.7 0.3 1 1193 118 118 CYS N N 122.2 0.3 1 1194 119 119 GLN H H 8.48 0.02 1 1195 119 119 GLN HA H 5.34 0.02 1 1196 119 119 GLN HB2 H 2.04 0.02 2 1197 119 119 GLN HB3 H 1.64 0.02 2 1198 119 119 GLN HE21 H 7.91 0.02 1 1199 119 119 GLN HE22 H 6.69 0.02 1 1200 119 119 GLN HG2 H 2.11 0.02 2 1201 119 119 GLN HG3 H 2.08 0.02 2 1202 119 119 GLN C C 172.3 0.3 1 1203 119 119 GLN CA C 55.0 0.3 1 1204 119 119 GLN CB C 30.2 0.3 1 1205 119 119 GLN CG C 32.0 0.3 1 1206 119 119 GLN N N 126.3 0.3 1 1207 119 119 GLN NE2 N 111.3 0.3 1 1208 120 120 PHE H H 9.05 0.02 1 1209 120 120 PHE HA H 4.56 0.02 1 1210 120 120 PHE HB2 H 3.26 0.02 2 1211 120 120 PHE HB3 H 2.51 0.02 2 1212 120 120 PHE HD1 H 6.88 0.02 1 1213 120 120 PHE HE1 H 7.28 0.02 1 1214 120 120 PHE C C 173.8 0.3 1 1215 120 120 PHE CA C 57.5 0.3 1 1216 120 120 PHE CB C 42.5 0.3 1 1217 120 120 PHE N N 123.0 0.3 1 1218 121 121 ASN H H 9.16 0.02 1 1219 121 121 ASN HA H 5.30 0.02 1 1220 121 121 ASN HB2 H 2.94 0.02 2 1221 121 121 ASN HB3 H 2.78 0.02 2 1222 121 121 ASN HD21 H 7.65 0.02 1 1223 121 121 ASN HD22 H 6.84 0.02 1 1224 121 121 ASN C C 174.8 0.3 1 1225 121 121 ASN CA C 52.4 0.3 1 1226 121 121 ASN CB C 40.0 0.3 1 1227 121 121 ASN N N 123.2 0.3 1 1228 121 121 ASN ND2 N 114.1 0.3 1 1229 122 122 ASP H H 7.64 0.02 1 1230 122 122 ASP HA H 5.00 0.02 1 1231 122 122 ASP HB2 H 2.33 0.02 1 1232 122 122 ASP C C 179.6 0.3 1 1233 122 122 ASP CA C 54.2 0.3 1 1234 122 122 ASP CB C 42.0 0.3 1 1235 122 122 ASP N N 124.4 0.3 1 1236 123 123 GLY H H 8.81 0.02 1 1237 123 123 GLY HA2 H 4.04 0.02 2 1238 123 123 GLY HA3 H 3.92 0.02 2 1239 123 123 GLY C C 174.5 0.3 1 1240 123 123 GLY CA C 47.2 0.3 1 1241 123 123 GLY N N 110.7 0.3 1 1242 124 124 GLY H H 8.33 0.02 1 1243 124 124 GLY HA2 H 4.25 0.02 2 1244 124 124 GLY HA3 H 3.13 0.02 2 1245 124 124 GLY C C 175.1 0.3 1 1246 124 124 GLY CA C 44.3 0.3 1 1247 124 124 GLY N N 106.7 0.3 1 1248 125 125 ALA H H 7.48 0.02 1 1249 125 125 ALA HA H 4.32 0.02 1 1250 125 125 ALA HB H 1.55 0.02 1 1251 125 125 ALA C C 177.7 0.3 1 1252 125 125 ALA CA C 52.4 0.3 1 1253 125 125 ALA CB C 19.3 0.3 1 1254 125 125 ALA N N 125.2 0.3 1 1255 126 126 ILE H H 8.85 0.02 1 1256 126 126 ILE HA H 4.43 0.02 1 1257 126 126 ILE HB H 1.85 0.02 1 1258 126 126 ILE HD1 H 0.93 0.02 1 1259 126 126 ILE HG13 H 1.71 0.02 1 1260 126 126 ILE HG2 H 0.89 0.02 1 1261 126 126 ILE C C 174.5 0.3 1 1262 126 126 ILE CA C 58.6 0.3 1 1263 126 126 ILE CB C 37.9 0.3 1 1264 126 126 ILE CD1 C 16.9 0.3 1 1265 126 126 ILE CG1 C 27.5 0.3 1 1266 126 126 ILE CG2 C 11.9 0.3 1 1267 126 126 ILE N N 126.2 0.3 1 1268 127 127 PRO HA H 4.65 0.02 1 1269 127 127 PRO HB2 H 2.46 0.02 2 1270 127 127 PRO HB3 H 2.25 0.02 2 1271 127 127 PRO HG2 H 1.98 0.02 1 1272 127 127 PRO C C 176.0 0.3 1 1273 127 127 PRO CA C 62.5 0.3 1 1274 127 127 PRO CB C 32.9 0.3 1 1275 127 127 PRO CG C 28.9 0.3 1 1276 128 128 ALA H H 7.90 0.02 1 1277 128 128 ALA HA H 4.17 0.02 1 1278 128 128 ALA HB H 1.45 0.02 1 1279 128 128 ALA C C 173.8 0.3 1 1280 128 128 ALA CA C 51.1 0.3 1 1281 128 128 ALA CB C 19.5 0.3 1 1282 128 128 ALA N N 121.4 0.3 1 1283 129 129 ALA H H 7.95 0.02 1 1284 129 129 ALA HA H 3.86 0.02 1 1285 129 129 ALA HB H 1.35 0.02 1 1286 129 129 ALA C C 176.3 0.3 1 1287 129 129 ALA CA C 53.9 0.3 1 1288 129 129 ALA CB C 18.7 0.3 1 1289 129 129 ALA N N 115.3 0.3 1 1290 130 130 GLN H H 6.99 0.02 1 1291 130 130 GLN HA H 4.98 0.02 1 1292 130 130 GLN HB3 H 1.77 0.02 1 1293 130 130 GLN HE21 H 6.96 0.02 1 1294 130 130 GLN HG2 H 2.08 0.02 2 1295 130 130 GLN HG3 H 1.98 0.02 2 1296 130 130 GLN C C 174.2 0.3 1 1297 130 130 GLN CA C 54.0 0.3 1 1298 130 130 GLN CB C 31.6 0.3 1 1299 130 130 GLN CG C 34.0 0.3 1 1300 130 130 GLN N N 113.9 0.3 1 1301 130 130 GLN NE2 N 113.6 0.3 1 1302 131 131 VAL H H 7.91 0.02 1 1303 131 131 VAL HA H 3.80 0.02 1 1304 131 131 VAL HB H 0.84 0.02 1 1305 131 131 VAL HG1 H 0.33 0.02 1 1306 131 131 VAL HG2 H -0.52 0.02 1 1307 131 131 VAL C C 173.4 0.3 1 1308 131 131 VAL CA C 60.7 0.3 1 1309 131 131 VAL CB C 35.1 0.3 1 1310 131 131 VAL CG1 C 21.0 0.3 1 1311 131 131 VAL CG2 C 19.8 0.3 1 1312 131 131 VAL N N 125.5 0.3 1 1313 132 132 THR H H 8.18 0.02 1 1314 132 132 THR HA H 5.16 0.02 1 1315 132 132 THR HB H 3.51 0.02 1 1316 132 132 THR HG2 H 0.90 0.02 1 1317 132 132 THR C C 173.2 0.3 1 1318 132 132 THR CA C 60.8 0.3 1 1319 132 132 THR CB C 70.5 0.3 1 1320 132 132 THR CG2 C 21.4 0.3 1 1321 132 132 THR N N 123.1 0.3 1 1322 133 133 HIS H H 9.42 0.02 1 1323 133 133 HIS HA H 4.32 0.02 1 1324 133 133 HIS HB2 H 2.80 0.02 2 1325 133 133 HIS HB3 H 2.72 0.02 2 1326 133 133 HIS HD2 H 7.41 0.02 1 1327 133 133 HIS HE1 H 8.45 0.02 1 1328 133 133 HIS C C 174.1 0.3 1 1329 133 133 HIS CA C 54.5 0.3 1 1330 133 133 HIS CB C 34.8 0.3 1 1331 133 133 HIS CE1 C 136.9 0.3 1 1332 133 133 HIS N N 128.9 0.3 1 1333 134 134 GLN H H 8.29 0.02 1 1334 134 134 GLN HA H 4.90 0.02 1 1335 134 134 GLN HB2 H 2.11 0.02 2 1336 134 134 GLN HB3 H 1.99 0.02 2 1337 134 134 GLN HE21 H 7.85 0.02 1 1338 134 134 GLN HE22 H 7.02 0.02 1 1339 134 134 GLN HG2 H 2.27 0.02 1 1340 134 134 GLN C C 175.2 0.3 1 1341 134 134 GLN CA C 54.8 0.3 1 1342 134 134 GLN CB C 28.4 0.3 1 1343 134 134 GLN CG C 33.3 0.3 1 1344 134 134 GLN N N 123.2 0.3 1 1345 134 134 GLN NE2 N 114.3 0.3 1 1346 135 135 CYS H H 8.75 0.02 1 1347 135 135 CYS HA H 5.19 0.02 1 1348 135 135 CYS HB2 H 2.98 0.02 2 1349 135 135 CYS HB3 H 2.43 0.02 2 1350 135 135 CYS C C 173.0 0.3 1 1351 135 135 CYS CA C 51.9 0.3 1 1352 135 135 CYS CB C 42.8 0.3 1 1353 135 135 CYS N N 122.7 0.3 1 1354 136 136 ASN H H 9.73 0.02 1 1355 136 136 ASN HA H 4.95 0.02 1 1356 136 136 ASN HB2 H 2.74 0.02 2 1357 136 136 ASN HB3 H 2.73 0.02 2 1358 136 136 ASN HD21 H 7.53 0.02 1 1359 136 136 ASN C C 175.0 0.3 1 1360 136 136 ASN CA C 51.6 0.3 1 1361 136 136 ASN CB C 38.9 0.3 1 1362 136 136 ASN N N 123.2 0.3 1 1363 136 136 ASN ND2 N 112.9 0.3 1 1364 137 137 ILE H H 8.62 0.02 1 1365 137 137 ILE HA H 3.58 0.02 1 1366 137 137 ILE HB H 1.70 0.02 1 1367 137 137 ILE HD1 H 0.85 0.02 1 1368 137 137 ILE HG12 H 0.85 0.02 2 1369 137 137 ILE HG13 H 0.81 0.02 2 1370 137 137 ILE HG2 H 0.61 0.02 1 1371 137 137 ILE C C 174.7 0.3 1 1372 137 137 ILE CA C 60.4 0.3 1 1373 137 137 ILE CB C 38.8 0.3 1 1374 137 137 ILE CD1 C 14.2 0.3 1 1375 137 137 ILE CG1 C 29.0 0.3 1 1376 137 137 ILE CG2 C 16.2 0.3 1 1377 137 137 ILE N N 127.4 0.3 1 1378 138 138 PRO HA H 4.18 0.02 1 1379 138 138 PRO HB2 H 2.41 0.02 2 1380 138 138 PRO HB3 H 1.97 0.02 2 1381 138 138 PRO HD2 H 3.26 0.02 1 1382 138 138 PRO HG2 H 1.82 0.02 1 1383 138 138 PRO C C 175.6 0.3 1 1384 138 138 PRO CA C 63.7 0.3 1 1385 138 138 PRO CB C 33.1 0.3 1 1386 138 138 PRO CD C 50.5 0.3 1 1387 138 138 PRO CG C 27.5 0.3 1 1388 139 139 ALA H H 8.20 0.02 1 1389 139 139 ALA HA H 4.06 0.02 1 1390 139 139 ALA HB H 1.44 0.02 1 1391 139 139 ALA C C 177.4 0.3 1 1392 139 139 ALA CA C 53.1 0.3 1 1393 139 139 ALA CB C 18.6 0.3 1 1394 139 139 ALA N N 122.5 0.3 1 1395 140 140 ASP H H 8.13 0.02 1 1396 140 140 ASP HA H 4.41 0.02 1 1397 140 140 ASP HB2 H 2.95 0.02 2 1398 140 140 ASP HB3 H 2.52 0.02 2 1399 140 140 ASP C C 175.7 0.3 1 1400 140 140 ASP CA C 53.3 0.3 1 1401 140 140 ASP CB C 38.9 0.3 1 1402 140 140 ASP N N 116.1 0.3 1 1403 141 141 ARG H H 7.06 0.02 1 1404 141 141 ARG HA H 4.29 0.02 1 1405 141 141 ARG HB2 H 1.54 0.02 2 1406 141 141 ARG HB3 H 0.86 0.02 2 1407 141 141 ARG HD2 H 2.85 0.02 2 1408 141 141 ARG HD3 H 2.50 0.02 2 1409 141 141 ARG HG2 H 1.50 0.02 2 1410 141 141 ARG HG3 H 0.66 0.02 2 1411 141 141 ARG C C 173.6 0.3 1 1412 141 141 ARG CA C 53.8 0.3 1 1413 141 141 ARG CB C 32.0 0.3 1 1414 141 141 ARG CD C 42.8 0.3 1 1415 141 141 ARG CG C 27.7 0.3 1 1416 141 141 ARG N N 119.2 0.3 1 1417 142 142 SER H H 8.40 0.02 1 1418 142 142 SER HA H 4.50 0.02 1 1419 142 142 SER HB2 H 3.78 0.02 1 1420 142 142 SER C C 174.4 0.3 1 1421 142 142 SER CA C 56.7 0.3 1 1422 142 142 SER CB C 65.6 0.3 1 1423 142 142 SER N N 113.8 0.3 1 1424 143 143 GLY H H 9.50 0.02 1 1425 143 143 GLY HA2 H 4.27 0.02 2 1426 143 143 GLY HA3 H 3.93 0.02 2 1427 143 143 GLY C C 175.4 0.3 1 1428 143 143 GLY CA C 44.9 0.3 1 1429 143 143 GLY N N 112.7 0.3 1 1430 144 144 SER H H 8.41 0.02 1 1431 144 144 SER HA H 5.24 0.02 1 1432 144 144 SER HB2 H 3.94 0.02 2 1433 144 144 SER HB3 H 3.86 0.02 2 1434 144 144 SER C C 175.5 0.3 1 1435 144 144 SER CA C 57.6 0.3 1 1436 144 144 SER CB C 63.4 0.3 1 1437 144 144 SER N N 118.2 0.3 1 1438 145 145 HIS H H 9.56 0.02 1 1439 145 145 HIS HA H 4.82 0.02 1 1440 145 145 HIS HB2 H 2.79 0.02 2 1441 145 145 HIS HB3 H 2.49 0.02 2 1442 145 145 HIS HD2 H 6.88 0.02 1 1443 145 145 HIS HE1 H 8.73 0.02 1 1444 145 145 HIS C C 174.5 0.3 1 1445 145 145 HIS CA C 57.8 0.3 1 1446 145 145 HIS CB C 38.3 0.3 1 1447 145 145 HIS CE1 C 136.7 0.3 1 1448 145 145 HIS N N 128.7 0.3 1 1449 146 146 VAL H H 8.77 0.02 1 1450 146 146 VAL HA H 5.07 0.02 1 1451 146 146 VAL HB H 1.41 0.02 1 1452 146 146 VAL HG1 H 0.92 0.02 1 1453 146 146 VAL HG2 H 0.83 0.02 1 1454 146 146 VAL C C 175.4 0.3 1 1455 146 146 VAL CA C 61.6 0.3 1 1456 146 146 VAL CB C 34.9 0.3 1 1457 146 146 VAL CG1 C 22.6 0.3 1 1458 146 146 VAL CG2 C 20.7 0.3 1 1459 146 146 VAL N N 124.4 0.3 1 1460 147 147 ILE H H 9.55 0.02 1 1461 147 147 ILE HA H 5.38 0.02 1 1462 147 147 ILE HB H 1.84 0.02 1 1463 147 147 ILE HD1 H 1.08 0.02 1 1464 147 147 ILE HG12 H 1.13 0.02 2 1465 147 147 ILE HG13 H 1.08 0.02 2 1466 147 147 ILE HG2 H 1.23 0.02 1 1467 147 147 ILE C C 174.2 0.3 1 1468 147 147 ILE CA C 58.8 0.3 1 1469 147 147 ILE CB C 41.1 0.3 1 1470 147 147 ILE CD1 C 15.0 0.3 1 1471 147 147 ILE CG1 C 28.7 0.3 1 1472 147 147 ILE CG2 C 16.1 0.3 1 1473 147 147 ILE N N 126.0 0.3 1 1474 148 148 LEU H H 9.77 0.02 1 1475 148 148 LEU HA H 4.83 0.02 1 1476 148 148 LEU HB2 H 1.52 0.02 2 1477 148 148 LEU HB3 H 0.81 0.02 2 1478 148 148 LEU HD1 H 0.56 0.02 1 1479 148 148 LEU HD2 H -0.39 0.02 1 1480 148 148 LEU HG H 1.04 0.02 1 1481 148 148 LEU C C 173.5 0.3 1 1482 148 148 LEU CA C 52.9 0.3 1 1483 148 148 LEU CB C 45.6 0.3 1 1484 148 148 LEU CD1 C 22.1 0.3 1 1485 148 148 LEU CD2 C 25.5 0.3 1 1486 148 148 LEU CG C 26.3 0.3 1 1487 148 148 LEU N N 130.3 0.3 1 1488 149 149 ALA H H 8.58 0.02 1 1489 149 149 ALA HA H 4.90 0.02 1 1490 149 149 ALA HB H 1.48 0.02 1 1491 149 149 ALA C C 175.8 0.3 1 1492 149 149 ALA CA C 50.2 0.3 1 1493 149 149 ALA CB C 22.3 0.3 1 1494 149 149 ALA N N 133.8 0.3 1 1495 150 150 VAL H H 9.37 0.02 1 1496 150 150 VAL HA H 4.93 0.02 1 1497 150 150 VAL HB H 1.91 0.02 1 1498 150 150 VAL HG1 H 0.68 0.02 1 1499 150 150 VAL HG2 H 0.51 0.02 1 1500 150 150 VAL C C 174.7 0.3 1 1501 150 150 VAL CA C 61.3 0.3 1 1502 150 150 VAL CB C 35.0 0.3 1 1503 150 150 VAL CG1 C 22.0 0.3 1 1504 150 150 VAL CG2 C 21.8 0.3 1 1505 150 150 VAL N N 124.1 0.3 1 1506 151 151 TRP H H 8.90 0.02 1 1507 151 151 TRP HA H 4.77 0.02 1 1508 151 151 TRP HB2 H 2.92 0.02 2 1509 151 151 TRP HB3 H 2.11 0.02 2 1510 151 151 TRP HD1 H 7.16 0.02 1 1511 151 151 TRP HE1 H 9.74 0.02 1 1512 151 151 TRP HH2 H 6.91 0.02 1 1513 151 151 TRP HZ2 H 7.74 0.02 1 1514 151 151 TRP HZ3 H 6.82 0.02 1 1515 151 151 TRP C C 173.9 0.3 1 1516 151 151 TRP CA C 53.2 0.3 1 1517 151 151 TRP CB C 32.2 0.3 1 1518 151 151 TRP N N 134.2 0.3 1 1519 151 151 TRP NE1 N 128.5 0.3 1 1520 152 152 ASP H H 8.54 0.02 1 1521 152 152 ASP HA H 4.55 0.02 1 1522 152 152 ASP HB2 H 2.15 0.02 2 1523 152 152 ASP HB3 H 2.11 0.02 2 1524 152 152 ASP C C 174.4 0.3 1 1525 152 152 ASP CA C 54.0 0.3 1 1526 152 152 ASP CB C 42.2 0.3 1 1527 152 152 ASP N N 126.6 0.3 1 1528 153 153 ILE H H 7.31 0.02 1 1529 153 153 ILE HA H 3.81 0.02 1 1530 153 153 ILE HB H 2.03 0.02 1 1531 153 153 ILE HD1 H -0.74 0.02 1 1532 153 153 ILE HG12 H 0.74 0.02 2 1533 153 153 ILE HG13 H 0.61 0.02 2 1534 153 153 ILE HG2 H 0.79 0.02 1 1535 153 153 ILE C C 179.3 0.3 1 1536 153 153 ILE CA C 59.5 0.3 1 1537 153 153 ILE CB C 35.1 0.3 1 1538 153 153 ILE CD1 C 8.4 0.3 1 1539 153 153 ILE CG1 C 26.4 0.3 1 1540 153 153 ILE CG2 C 17.2 0.3 1 1541 153 153 ILE N N 126.0 0.3 1 1542 154 154 ALA H H 8.49 0.02 1 1543 154 154 ALA HA H 4.13 0.02 1 1544 154 154 ALA HB H 1.13 0.02 1 1545 154 154 ALA C C 179.3 0.3 1 1546 154 154 ALA CA C 54.2 0.3 1 1547 154 154 ALA CB C 19.2 0.3 1 1548 154 154 ALA N N 125.0 0.3 1 1549 155 155 ASP H H 8.12 0.02 1 1550 155 155 ASP HA H 4.55 0.02 1 1551 155 155 ASP HB2 H 2.95 0.02 2 1552 155 155 ASP HB3 H 2.56 0.02 2 1553 155 155 ASP C C 175.5 0.3 1 1554 155 155 ASP CA C 53.6 0.3 1 1555 155 155 ASP CB C 40.2 0.3 1 1556 155 155 ASP N N 114.5 0.3 1 1557 156 156 THR H H 7.16 0.02 1 1558 156 156 THR HA H 4.56 0.02 1 1559 156 156 THR HB H 4.28 0.02 1 1560 156 156 THR HG2 H 1.12 0.02 1 1561 156 156 THR C C 172.4 0.3 1 1562 156 156 THR CA C 59.2 0.3 1 1563 156 156 THR CB C 71.4 0.3 1 1564 156 156 THR CG2 C 21.1 0.3 1 1565 156 156 THR N N 110.2 0.3 1 1566 157 157 ALA H H 8.15 0.02 1 1567 157 157 ALA HA H 4.30 0.02 1 1568 157 157 ALA HB H 1.32 0.02 1 1569 157 157 ALA C C 177.3 0.3 1 1570 157 157 ALA CA C 51.6 0.3 1 1571 157 157 ALA CB C 18.7 0.3 1 1572 157 157 ALA N N 120.4 0.3 1 1573 158 158 ASN H H 7.76 0.02 1 1574 158 158 ASN HA H 5.38 0.02 1 1575 158 158 ASN HB2 H 2.57 0.02 2 1576 158 158 ASN HB3 H 2.16 0.02 2 1577 158 158 ASN HD21 H 6.77 0.02 1 1578 158 158 ASN C C 171.9 0.3 1 1579 158 158 ASN CA C 53.2 0.3 1 1580 158 158 ASN CB C 42.5 0.3 1 1581 158 158 ASN N N 118.0 0.3 1 1582 158 158 ASN ND2 N 111.7 0.3 1 1583 159 159 ALA H H 8.56 0.02 1 1584 159 159 ALA HA H 4.81 0.02 1 1585 159 159 ALA HB H 0.94 0.02 1 1586 159 159 ALA C C 174.5 0.3 1 1587 159 159 ALA CA C 49.9 0.3 1 1588 159 159 ALA CB C 24.1 0.3 1 1589 159 159 ALA N N 118.1 0.3 1 1590 160 160 PHE H H 8.72 0.02 1 1591 160 160 PHE HA H 5.35 0.02 1 1592 160 160 PHE HB3 H 3.29 0.02 1 1593 160 160 PHE HD1 H 6.88 0.02 1 1594 160 160 PHE HE1 H 7.36 0.02 1 1595 160 160 PHE C C 174.3 0.3 1 1596 160 160 PHE CA C 56.8 0.3 1 1597 160 160 PHE CB C 42.1 0.3 1 1598 160 160 PHE N N 117.9 0.3 1 1599 161 161 TYR HA H 4.81 0.02 1 1600 161 161 TYR HB2 H 2.88 0.02 2 1601 161 161 TYR HB3 H 2.65 0.02 2 1602 161 161 TYR HD1 H 7.08 0.02 1 1603 161 161 TYR C C 176.8 0.3 1 1604 161 161 TYR CA C 58.1 0.3 1 1605 161 161 TYR CB C 40.6 0.3 1 1606 162 162 GLN H H 9.77 0.02 1 1607 162 162 GLN HA H 4.78 0.02 1 1608 162 162 GLN HB2 H 2.24 0.02 2 1609 162 162 GLN HB3 H 1.87 0.02 2 1610 162 162 GLN HE21 H 7.55 0.02 1 1611 162 162 GLN HE22 H 6.78 0.02 1 1612 162 162 GLN C C 174.3 0.3 1 1613 162 162 GLN CA C 52.5 0.3 1 1614 162 162 GLN CB C 31.8 0.3 1 1615 162 162 GLN N N 125.4 0.3 1 1616 162 162 GLN NE2 N 114.0 0.3 1 1617 163 163 ALA H H 8.50 0.02 1 1618 163 163 ALA HA H 4.96 0.02 1 1619 163 163 ALA HB H 1.08 0.02 1 1620 163 163 ALA C C 177.2 0.3 1 1621 163 163 ALA CA C 52.1 0.3 1 1622 163 163 ALA CB C 17.3 0.3 1 1623 163 163 ALA N N 128.2 0.3 1 1624 164 164 ILE H H 10.00 0.02 1 1625 164 164 ILE HA H 4.33 0.02 1 1626 164 164 ILE HB H 2.35 0.02 1 1627 164 164 ILE HD1 H 1.67 0.02 1 1628 164 164 ILE HG13 H 2.06 0.02 1 1629 164 164 ILE HG2 H 1.06 0.02 1 1630 164 164 ILE C C 173.6 0.3 1 1631 164 164 ILE CA C 62.3 0.3 1 1632 164 164 ILE CB C 40.9 0.3 1 1633 164 164 ILE CD1 C 28.6 0.3 1 1634 164 164 ILE CG1 C 27.7 0.3 1 1635 164 164 ILE CG2 C 20.8 0.3 1 1636 164 164 ILE N N 126.8 0.3 1 1637 165 165 ASP H H 9.99 0.02 1 1638 165 165 ASP HA H 5.15 0.02 1 1639 165 165 ASP HB2 H 2.87 0.02 2 1640 165 165 ASP HB3 H 2.45 0.02 2 1641 165 165 ASP C C 174.9 0.3 1 1642 165 165 ASP CA C 55.4 0.3 1 1643 165 165 ASP CB C 43.1 0.3 1 1644 165 165 ASP N N 130.6 0.3 1 1645 166 166 VAL H H 8.63 0.02 1 1646 166 166 VAL HA H 5.52 0.02 1 1647 166 166 VAL HB H 2.05 0.02 1 1648 166 166 VAL HG1 H 0.90 0.02 1 1649 166 166 VAL HG2 H 0.80 0.02 1 1650 166 166 VAL C C 173.0 0.3 1 1651 166 166 VAL CA C 58.4 0.3 1 1652 166 166 VAL CB C 36.3 0.3 1 1653 166 166 VAL CG1 C 22.6 0.3 1 1654 166 166 VAL CG2 C 18.9 0.3 1 1655 166 166 VAL N N 114.2 0.3 1 1656 167 167 ASN H H 8.90 0.02 1 1657 167 167 ASN HA H 5.23 0.02 1 1658 167 167 ASN HB2 H 2.96 0.02 2 1659 167 167 ASN HB3 H 2.30 0.02 2 1660 167 167 ASN HD21 H 7.10 0.02 1 1661 167 167 ASN HD22 H 6.41 0.02 1 1662 167 167 ASN C C 175.5 0.3 1 1663 167 167 ASN CA C 51.8 0.3 1 1664 167 167 ASN CB C 40.5 0.3 1 1665 167 167 ASN N N 121.1 0.3 1 1666 167 167 ASN ND2 N 109.5 0.3 1 1667 168 168 LEU H H 9.20 0.02 1 1668 168 168 LEU HA H 5.29 0.02 1 1669 168 168 LEU HB2 H 1.70 0.02 2 1670 168 168 LEU HB3 H 1.30 0.02 2 1671 168 168 LEU HD1 H 0.66 0.02 1 1672 168 168 LEU HD2 H 0.59 0.02 1 1673 168 168 LEU HG H 1.46 0.02 1 1674 168 168 LEU C C 177.4 0.3 1 1675 168 168 LEU CA C 53.8 0.3 1 1676 168 168 LEU CB C 44.1 0.3 1 1677 168 168 LEU CD1 C 24.6 0.3 1 1678 168 168 LEU CD2 C 26.9 0.3 1 1679 168 168 LEU CG C 24.7 0.3 1 1680 168 168 LEU N N 126.5 0.3 1 1681 169 169 SER H H 8.48 0.02 1 1682 169 169 SER HA H 4.80 0.02 1 1683 169 169 SER HB2 H 3.96 0.02 2 1684 169 169 SER HB3 H 3.89 0.02 2 1685 169 169 SER C C 172.1 0.3 1 1686 169 169 SER CA C 57.0 0.3 1 1687 169 169 SER CB C 65.5 0.3 1 1688 169 169 SER N N 119.1 0.3 1 1689 170 170 LYS H H 8.03 0.02 1 1690 170 170 LYS HA H 4.32 0.02 1 1691 170 170 LYS HB2 H 1.80 0.02 2 1692 170 170 LYS HB3 H 1.78 0.02 2 1693 170 170 LYS HD2 H 1.71 0.02 1 1694 170 170 LYS HE2 H 3.00 0.02 1 1695 170 170 LYS HG2 H 1.47 0.02 2 1696 170 170 LYS HG3 H 1.44 0.02 2 1697 170 170 LYS C C 182.1 0.3 1 1698 170 170 LYS CA C 58.0 0.3 1 1699 170 170 LYS CB C 33.3 0.3 1 1700 170 170 LYS CD C 29.1 0.3 1 1701 170 170 LYS CE C 41.9 0.3 1 1702 170 170 LYS CG C 24.7 0.3 1 1703 170 170 LYS N N 125.5 0.3 1 stop_ save_