data_19984 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N Resonance Assignment of the Chitin-Active Lytic Polysaccharide Monooxygenase BlLPMO10A from Bacillus licheniformis ; _BMRB_accession_number 19984 _BMRB_flat_file_name bmr19984.str _Entry_type original _Submission_date 2014-05-21 _Accession_date 2014-05-21 _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 Courtade Gaston . . 2 Balzer Simone . . 3 Forsberg Zarah . . 4 Vaaje-Kolstad Gustav . . 5 Eijsink Vincent G.H. . 6 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" 907 "13C chemical shifts" 675 "15N chemical shifts" 177 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-04-25 original BMRB . stop_ _Original_release_date 2016-04-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, 15N resonance assignment of the chitin-active lytic polysaccharide monooxygenase BlLPMO10A from Bacillus licheniformis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Courtade Gaston . . 2 Balzer Simone . . 3 Forsberg Zarah . . 4 Vaaje-Kolstad Gustav . . 5 Eijsink Vincent G.H. . 6 Aachmann Finn L. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2016 _Details . loop_ _Keyword AA10 cellulose chitin 'lytic polysaccharide monooxygenase (LPMO)' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name BlLPMO10A _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label BlLPMO10A $BlLPMO10A stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BlLPMO10A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BlLPMO10A _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 172 _Mol_residue_sequence ; HGFIEKPGSRAALCSEAFGF LNLNCGSVMYEPQSLEAKKG FPHSGPADGQIASAGGLFGG ILDQQSENRWFKHIMTGGEH TFTWTYTAPHNTSQWHYYIT KKGWDPDKPLKRADFELIGA VPHDGSPASRNLSHHIYIPE DRLGYHVILAVWDVADTENA FYQVIDVDLVNK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 HIS 2 2 GLY 3 3 PHE 4 4 ILE 5 5 GLU 6 6 LYS 7 7 PRO 8 8 GLY 9 9 SER 10 10 ARG 11 11 ALA 12 12 ALA 13 13 LEU 14 14 CYS 15 15 SER 16 16 GLU 17 17 ALA 18 18 PHE 19 19 GLY 20 20 PHE 21 21 LEU 22 22 ASN 23 23 LEU 24 24 ASN 25 25 CYS 26 26 GLY 27 27 SER 28 28 VAL 29 29 MET 30 30 TYR 31 31 GLU 32 32 PRO 33 33 GLN 34 34 SER 35 35 LEU 36 36 GLU 37 37 ALA 38 38 LYS 39 39 LYS 40 40 GLY 41 41 PHE 42 42 PRO 43 43 HIS 44 44 SER 45 45 GLY 46 46 PRO 47 47 ALA 48 48 ASP 49 49 GLY 50 50 GLN 51 51 ILE 52 52 ALA 53 53 SER 54 54 ALA 55 55 GLY 56 56 GLY 57 57 LEU 58 58 PHE 59 59 GLY 60 60 GLY 61 61 ILE 62 62 LEU 63 63 ASP 64 64 GLN 65 65 GLN 66 66 SER 67 67 GLU 68 68 ASN 69 69 ARG 70 70 TRP 71 71 PHE 72 72 LYS 73 73 HIS 74 74 ILE 75 75 MET 76 76 THR 77 77 GLY 78 78 GLY 79 79 GLU 80 80 HIS 81 81 THR 82 82 PHE 83 83 THR 84 84 TRP 85 85 THR 86 86 TYR 87 87 THR 88 88 ALA 89 89 PRO 90 90 HIS 91 91 ASN 92 92 THR 93 93 SER 94 94 GLN 95 95 TRP 96 96 HIS 97 97 TYR 98 98 TYR 99 99 ILE 100 100 THR 101 101 LYS 102 102 LYS 103 103 GLY 104 104 TRP 105 105 ASP 106 106 PRO 107 107 ASP 108 108 LYS 109 109 PRO 110 110 LEU 111 111 LYS 112 112 ARG 113 113 ALA 114 114 ASP 115 115 PHE 116 116 GLU 117 117 LEU 118 118 ILE 119 119 GLY 120 120 ALA 121 121 VAL 122 122 PRO 123 123 HIS 124 124 ASP 125 125 GLY 126 126 SER 127 127 PRO 128 128 ALA 129 129 SER 130 130 ARG 131 131 ASN 132 132 LEU 133 133 SER 134 134 HIS 135 135 HIS 136 136 ILE 137 137 TYR 138 138 ILE 139 139 PRO 140 140 GLU 141 141 ASP 142 142 ARG 143 143 LEU 144 144 GLY 145 145 TYR 146 146 HIS 147 147 VAL 148 148 ILE 149 149 LEU 150 150 ALA 151 151 VAL 152 152 TRP 153 153 ASP 154 154 VAL 155 155 ALA 156 156 ASP 157 157 THR 158 158 GLU 159 159 ASN 160 160 ALA 161 161 PHE 162 162 TYR 163 163 GLN 164 164 VAL 165 165 ILE 166 166 ASP 167 167 VAL 168 168 ASP 169 169 LEU 170 170 VAL 171 171 ASN 172 172 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $BlLPMO10A 'Clostridium licheniforme' 1402 Bacteria . Bacillus licheniformis 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 $BlLPMO10A 'recombinant technology' . Escherichia coli RV308 pJB 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 $BlLPMO10A . mM 1 1.5 '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 25 mM . . 'natural abundance' 'sodium chloride' 10 mM . . 'natural abundance' D2O 10 % . . 'natural abundance' H2O 90 % . . '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 $BlLPMO10A . mM 1 1.5 '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 25 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 $BlLPMO10A . mM 1 1.5 'natural abundance' 'sodium phosphate' 25 mM . . 'natural abundance' 'sodium chloride' 10 mM . . 'natural abundance' D2O 10 % . . 'natural abundance' H2O 90 % . . '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 $BlLPMO10A . mM 1 1.5 'natural abundance' 'sodium phosphate' 25 mM . . 'natural abundance' 'sodium chloride' 10 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 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 'Keller and Wuthrich' . . 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_H2O save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $label_H2O save_ save_3D_HCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $label_H2O save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $label_H2O save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $label_H2O save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $label_H2O save_ save_3D_CBCANH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $label_H2O save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $label_H2O save_ save_3D_HBHANH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $label_H2O save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $non_D2O save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $label_D2O save_ save_2D_1H-1H_TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $non_H2O save_ save_2D_1H-1H_COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $non_H2O save_ save_2D_1H-1H_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $non_H2O save_ save_2D_1H-1H_TOCSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $non_D2O save_ save_2D_1H-1H_COSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $non_D2O save_ save_2D_1H-1H_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $non_D2O 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' 0.085 . M pH 5.0 . pH pressure 1 . atm temperature 298 . 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 TSP C 13 'methyl carbon' ppm 0.00 internal direct . . . 1.000000000 TSP H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 TSP N 15 'methyl protons' ppm 0.00 na indirect . . . 0.10132900 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HCACO' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D CBCANH' '3D HBHA(CO)NH' '3D HBHANH' '3D HCCH-COSY' '3D HCCH-TOCSY' '2D 1H-1H TOCSY' '2D 1H-1H COSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $label_H2O $non_D2O $label_D2O $non_H2O stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name BlLPMO10A _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 HA H 4.10 0.02 1 2 1 1 HIS HB2 H 3.00 0.02 2 3 1 1 HIS HB3 H 2.81 0.02 2 4 1 1 HIS HD2 H 7.02 0.02 1 5 1 1 HIS HE1 H 8.34 0.02 1 6 1 1 HIS C C 179.2 0.3 1 7 1 1 HIS CA C 56.9 0.3 1 8 1 1 HIS CB C 32.2 0.3 1 9 1 1 HIS CD2 C 117.0 0.3 1 10 1 1 HIS CE1 C 136.4 0.3 1 11 2 2 GLY H H 8.19 0.02 1 12 2 2 GLY HA2 H 4.50 0.02 2 13 2 2 GLY HA3 H 4.35 0.02 2 14 2 2 GLY C C 169.6 0.3 1 15 2 2 GLY CA C 46.6 0.3 1 16 2 2 GLY N N 112.7 0.3 1 17 3 3 PHE H H 8.59 0.02 1 18 3 3 PHE HA H 4.46 0.02 1 19 3 3 PHE HB2 H 3.16 0.02 2 20 3 3 PHE HB3 H 2.93 0.02 2 21 3 3 PHE HD1 H 7.17 0.02 1 22 3 3 PHE HE1 H 6.78 0.02 1 23 3 3 PHE HZ H 5.95 0.02 1 24 3 3 PHE C C 171.7 0.3 1 25 3 3 PHE CA C 55.9 0.3 1 26 3 3 PHE CB C 40.1 0.3 1 27 3 3 PHE N N 114.7 0.3 1 28 4 4 ILE H H 6.85 0.02 1 29 4 4 ILE HA H 3.33 0.02 1 30 4 4 ILE HB H 1.09 0.02 1 31 4 4 ILE HG12 H -0.45 0.02 2 32 4 4 ILE HG13 H -1.44 0.02 2 33 4 4 ILE HG2 H 0.60 0.02 1 34 4 4 ILE HD1 H 0.44 0.02 1 35 4 4 ILE C C 173.0 0.3 1 36 4 4 ILE CA C 62.6 0.3 1 37 4 4 ILE CB C 38.1 0.3 1 38 4 4 ILE CG1 C 26.5 0.3 1 39 4 4 ILE CG2 C 17.5 0.3 1 40 4 4 ILE CD1 C 15.5 0.3 1 41 4 4 ILE N N 118.7 0.3 1 42 5 5 GLU H H 8.06 0.02 1 43 5 5 GLU HA H 4.50 0.02 1 44 5 5 GLU HB2 H 2.26 0.02 2 45 5 5 GLU HB3 H 1.63 0.02 2 46 5 5 GLU HG2 H 1.95 0.02 2 47 5 5 GLU HG3 H 1.74 0.02 2 48 5 5 GLU C C 174.4 0.3 1 49 5 5 GLU CA C 55.2 0.3 1 50 5 5 GLU CB C 31.0 0.3 1 51 5 5 GLU CG C 33.9 0.3 1 52 5 5 GLU N N 127.8 0.3 1 53 6 6 LYS H H 7.03 0.02 1 54 6 6 LYS HA H 4.56 0.02 1 55 6 6 LYS HB2 H 1.63 0.02 2 56 6 6 LYS HB3 H 1.59 0.02 2 57 6 6 LYS HG2 H 1.24 0.02 2 58 6 6 LYS HG3 H 1.15 0.02 2 59 6 6 LYS HD2 H 1.82 0.02 2 60 6 6 LYS HD3 H 1.74 0.02 2 61 6 6 LYS HE2 H 3.04 0.02 2 62 6 6 LYS HE3 H 2.91 0.02 2 63 6 6 LYS C C 172.2 0.3 1 64 6 6 LYS CA C 54.2 0.3 1 65 6 6 LYS CB C 36.6 0.3 1 66 6 6 LYS CG C 25.0 0.3 1 67 6 6 LYS CD C 29.3 0.3 1 68 6 6 LYS CE C 41.7 0.3 1 69 6 6 LYS N N 121.3 0.3 1 70 7 7 PRO HA H 4.29 0.02 1 71 7 7 PRO HB2 H 1.44 0.02 2 72 7 7 PRO HB3 H 0.56 0.02 2 73 7 7 PRO HG2 H 1.48 0.02 2 74 7 7 PRO HG3 H 1.24 0.02 2 75 7 7 PRO HD2 H 3.25 0.02 2 76 7 7 PRO HD3 H 3.13 0.02 2 77 7 7 PRO C C 175.1 0.3 1 78 7 7 PRO CA C 62.4 0.3 1 79 7 7 PRO CB C 31.5 0.3 1 80 7 7 PRO CG C 24.7 0.3 1 81 7 7 PRO CD C 50.3 0.3 1 82 8 8 GLY H H 8.49 0.02 1 83 8 8 GLY HA2 H 3.62 0.02 2 84 8 8 GLY HA3 H 3.20 0.02 2 85 8 8 GLY C C 174.9 0.3 1 86 8 8 GLY CA C 46.9 0.3 1 87 8 8 GLY N N 106.6 0.3 1 88 9 9 SER H H 8.11 0.02 1 89 9 9 SER HA H 4.30 0.02 1 90 9 9 SER HB2 H 3.94 0.02 1 91 9 9 SER C C 171.4 0.3 1 92 9 9 SER CA C 57.5 0.3 1 93 9 9 SER CB C 65.5 0.3 1 94 9 9 SER N N 122.6 0.3 1 95 10 10 ARG H H 9.06 0.02 1 96 10 10 ARG HA H 3.80 0.02 1 97 10 10 ARG HB2 H 1.99 0.02 2 98 10 10 ARG HB3 H 1.34 0.02 2 99 10 10 ARG HG2 H 1.08 0.02 2 100 10 10 ARG HG3 H 0.62 0.02 2 101 10 10 ARG HD2 H 3.45 0.02 1 102 10 10 ARG C C 177.8 0.3 1 103 10 10 ARG CA C 59.6 0.3 1 104 10 10 ARG CB C 32.9 0.3 1 105 10 10 ARG CG C 26.3 0.3 1 106 10 10 ARG CD C 42.8 0.3 1 107 10 10 ARG N N 123.9 0.3 1 108 11 11 ALA H H 8.51 0.02 1 109 11 11 ALA HA H 3.81 0.02 1 110 11 11 ALA HB H 1.21 0.02 1 111 11 11 ALA C C 178.9 0.3 1 112 11 11 ALA CA C 54.9 0.3 1 113 11 11 ALA CB C 19.9 0.3 1 114 11 11 ALA N N 116.9 0.3 1 115 12 12 ALA H H 7.38 0.02 1 116 12 12 ALA HA H 3.03 0.02 1 117 12 12 ALA HB H 0.61 0.02 1 118 12 12 ALA C C 180.5 0.3 1 119 12 12 ALA CA C 55.6 0.3 1 120 12 12 ALA CB C 16.4 0.3 1 121 12 12 ALA N N 121.1 0.3 1 122 13 13 LEU H H 8.31 0.02 1 123 13 13 LEU HA H 3.98 0.02 1 124 13 13 LEU HB2 H 1.96 0.02 2 125 13 13 LEU HB3 H 1.38 0.02 2 126 13 13 LEU HG H 1.62 0.02 1 127 13 13 LEU HD1 H 0.93 0.02 1 128 13 13 LEU HD2 H 0.82 0.02 1 129 13 13 LEU C C 177.1 0.3 1 130 13 13 LEU CA C 57.3 0.3 1 131 13 13 LEU CB C 41.6 0.3 1 132 13 13 LEU CG C 27.1 0.3 1 133 13 13 LEU CD1 C 24.2 0.3 1 134 13 13 LEU CD2 C 25.4 0.3 1 135 13 13 LEU N N 117.7 0.3 1 136 14 14 CYS H H 7.29 0.02 1 137 14 14 CYS HA H 4.87 0.02 1 138 14 14 CYS HB2 H 3.70 0.02 2 139 14 14 CYS HB3 H 2.90 0.02 2 140 14 14 CYS C C 174.9 0.3 1 141 14 14 CYS CA C 58.0 0.3 1 142 14 14 CYS CB C 42.8 0.3 1 143 14 14 CYS N N 115.7 0.3 1 144 15 15 SER H H 8.19 0.02 1 145 15 15 SER HA H 4.68 0.02 1 146 15 15 SER HB2 H 4.31 0.02 2 147 15 15 SER HB3 H 3.83 0.02 2 148 15 15 SER C C 174.9 0.3 1 149 15 15 SER CA C 58.5 0.3 1 150 15 15 SER CB C 67.9 0.3 1 151 15 15 SER N N 116.2 0.3 1 152 16 16 GLU H H 9.03 0.02 1 153 16 16 GLU HA H 4.84 0.02 1 154 16 16 GLU HB2 H 2.09 0.02 2 155 16 16 GLU HB3 H 1.93 0.02 2 156 16 16 GLU HG2 H 2.34 0.02 2 157 16 16 GLU HG3 H 2.25 0.02 2 158 16 16 GLU C C 179.5 0.3 1 159 16 16 GLU CA C 58.8 0.3 1 160 16 16 GLU CB C 29.6 0.3 1 161 16 16 GLU CG C 36.4 0.3 1 162 16 16 GLU N N 125.9 0.3 1 163 17 17 ALA H H 8.58 0.02 1 164 17 17 ALA HA H 3.99 0.02 1 165 17 17 ALA HB H 1.37 0.02 1 166 17 17 ALA C C 177.5 0.3 1 167 17 17 ALA CA C 54.3 0.3 1 168 17 17 ALA CB C 18.0 0.3 1 169 17 17 ALA N N 122.2 0.3 1 170 18 18 PHE H H 7.17 0.02 1 171 18 18 PHE HA H 4.28 0.02 1 172 18 18 PHE HB2 H 3.34 0.02 2 173 18 18 PHE HB3 H 3.03 0.02 2 174 18 18 PHE HD1 H 7.42 0.02 1 175 18 18 PHE HE1 H 7.20 0.02 1 176 18 18 PHE HZ H 6.62 0.02 1 177 18 18 PHE C C 175.3 0.3 1 178 18 18 PHE CA C 57.5 0.3 1 179 18 18 PHE CB C 40.3 0.3 1 180 18 18 PHE CZ C 131.6 0.3 1 181 18 18 PHE N N 115.9 0.3 1 182 19 19 GLY H H 7.72 0.02 1 183 19 19 GLY HA2 H 3.92 0.02 2 184 19 19 GLY HA3 H 3.56 0.02 2 185 19 19 GLY C C 174.0 0.3 1 186 19 19 GLY CA C 46.0 0.3 1 187 19 19 GLY N N 107.7 0.3 1 188 20 20 PHE H H 7.59 0.02 1 189 20 20 PHE HA H 4.07 0.02 1 190 20 20 PHE HB2 H 3.34 0.02 2 191 20 20 PHE HB3 H 3.14 0.02 2 192 20 20 PHE HD1 H 7.27 0.02 1 193 20 20 PHE HE1 H 6.74 0.02 1 194 20 20 PHE HZ H 6.42 0.02 1 195 20 20 PHE C C 174.2 0.3 1 196 20 20 PHE CA C 56.9 0.3 1 197 20 20 PHE CB C 35.9 0.3 1 198 20 20 PHE CZ C 132.0 0.3 1 199 20 20 PHE N N 113.6 0.3 1 200 21 21 LEU H H 6.99 0.02 1 201 21 21 LEU HA H 3.98 0.02 1 202 21 21 LEU HB2 H 1.26 0.02 2 203 21 21 LEU HB3 H 0.86 0.02 2 204 21 21 LEU HG H 1.69 0.02 1 205 21 21 LEU HD1 H 0.53 0.02 1 206 21 21 LEU HD2 H 0.35 0.02 1 207 21 21 LEU C C 178.8 0.3 1 208 21 21 LEU CA C 57.4 0.3 1 209 21 21 LEU CB C 42.4 0.3 1 210 21 21 LEU CG C 26.9 0.3 1 211 21 21 LEU CD1 C 22.3 0.3 1 212 21 21 LEU CD2 C 24.7 0.3 1 213 21 21 LEU N N 118.4 0.3 1 214 22 22 ASN H H 7.26 0.02 1 215 22 22 ASN HA H 5.49 0.02 1 216 22 22 ASN HB2 H 2.63 0.02 1 217 22 22 ASN HD21 H 8.58 0.02 1 218 22 22 ASN HD22 H 8.49 0.02 1 219 22 22 ASN C C 173.5 0.3 1 220 22 22 ASN CA C 51.5 0.3 1 221 22 22 ASN CB C 42.1 0.3 1 222 22 22 ASN N N 114.4 0.3 1 223 22 22 ASN ND2 N 120.3 0.3 1 224 23 23 LEU H H 8.54 0.02 1 225 23 23 LEU HA H 4.51 0.02 1 226 23 23 LEU HB2 H 1.63 0.02 2 227 23 23 LEU HB3 H 1.44 0.02 2 228 23 23 LEU HG H 0.93 0.02 1 229 23 23 LEU HD1 H 0.35 0.02 1 230 23 23 LEU HD2 H 0.18 0.02 1 231 23 23 LEU C C 176.1 0.3 1 232 23 23 LEU CA C 53.2 0.3 1 233 23 23 LEU CB C 45.5 0.3 1 234 23 23 LEU CG C 25.2 0.3 1 235 23 23 LEU CD1 C 23.0 0.3 1 236 23 23 LEU N N 120.8 0.3 1 237 24 24 ASN H H 9.35 0.02 1 238 24 24 ASN HA H 4.34 0.02 1 239 24 24 ASN HB2 H 2.77 0.02 2 240 24 24 ASN HB3 H 2.67 0.02 2 241 24 24 ASN HD21 H 7.63 0.02 1 242 24 24 ASN HD22 H 6.96 0.02 1 243 24 24 ASN C C 175.3 0.3 1 244 24 24 ASN CA C 54.0 0.3 1 245 24 24 ASN CB C 36.9 0.3 1 246 24 24 ASN N N 118.1 0.3 1 247 24 24 ASN ND2 N 115.8 0.3 1 248 25 25 CYS H H 9.79 0.02 1 249 25 25 CYS HA H 4.43 0.02 1 250 25 25 CYS HB2 H 3.71 0.02 2 251 25 25 CYS HB3 H 3.11 0.02 2 252 25 25 CYS C C 174.1 0.3 1 253 25 25 CYS CA C 57.7 0.3 1 254 25 25 CYS CB C 46.0 0.3 1 255 25 25 CYS N N 115.3 0.3 1 256 26 26 GLY H H 8.58 0.02 1 257 26 26 GLY HA2 H 4.31 0.02 2 258 26 26 GLY HA3 H 3.82 0.02 2 259 26 26 GLY C C 175.0 0.3 1 260 26 26 GLY CA C 44.7 0.3 1 261 26 26 GLY N N 107.1 0.3 1 262 27 27 SER H H 8.94 0.02 1 263 27 27 SER HA H 4.14 0.02 1 264 27 27 SER HB2 H 3.97 0.02 1 265 27 27 SER C C 175.9 0.3 1 266 27 27 SER CA C 62.0 0.3 1 267 27 27 SER CB C 62.7 0.3 1 268 27 27 SER N N 115.5 0.3 1 269 28 28 VAL H H 8.34 0.02 1 270 28 28 VAL HA H 4.24 0.02 1 271 28 28 VAL HB H 2.59 0.02 1 272 28 28 VAL HG1 H 1.83 0.02 1 273 28 28 VAL HG2 H 0.97 0.02 1 274 28 28 VAL C C 175.4 0.3 1 275 28 28 VAL CA C 63.2 0.3 1 276 28 28 VAL CB C 29.4 0.3 1 277 28 28 VAL CG1 C 26.6 0.3 1 278 28 28 VAL CG2 C 16.9 0.3 1 279 28 28 VAL N N 125.5 0.3 1 280 29 29 MET H H 7.83 0.02 1 281 29 29 MET HA H 3.62 0.02 1 282 29 29 MET HB2 H 2.25 0.02 2 283 29 29 MET HB3 H 1.57 0.02 2 284 29 29 MET HG2 H 2.13 0.02 1 285 29 29 MET C C 174.4 0.3 1 286 29 29 MET CA C 57.7 0.3 1 287 29 29 MET CB C 32.9 0.3 1 288 29 29 MET CG C 28.7 0.3 1 289 29 29 MET N N 118.8 0.3 1 290 30 30 TYR H H 6.90 0.02 1 291 30 30 TYR HA H 4.67 0.02 1 292 30 30 TYR HB2 H 3.54 0.02 2 293 30 30 TYR HB3 H 2.82 0.02 2 294 30 30 TYR HD1 H 6.73 0.02 1 295 30 30 TYR HE1 H 6.24 0.02 1 296 30 30 TYR C C 175.5 0.3 1 297 30 30 TYR CA C 57.9 0.3 1 298 30 30 TYR CB C 39.3 0.3 1 299 30 30 TYR N N 117.9 0.3 1 300 31 31 GLU H H 7.65 0.02 1 301 31 31 GLU HA H 4.78 0.02 1 302 31 31 GLU HB2 H 2.19 0.02 2 303 31 31 GLU HB3 H 1.71 0.02 2 304 31 31 GLU HG2 H 2.09 0.02 2 305 31 31 GLU HG3 H 1.94 0.02 2 306 31 31 GLU C C 171.3 0.3 1 307 31 31 GLU CA C 54.2 0.3 1 308 31 31 GLU CB C 30.8 0.3 1 309 31 31 GLU CG C 36.3 0.3 1 310 31 31 GLU N N 118.9 0.3 1 311 32 32 PRO HA H 3.91 0.02 1 312 32 32 PRO HB2 H 1.35 0.02 2 313 32 32 PRO HB3 H 0.68 0.02 2 314 32 32 PRO HG2 H 1.14 0.02 2 315 32 32 PRO HG3 H 1.10 0.02 2 316 32 32 PRO HD2 H 3.56 0.02 2 317 32 32 PRO HD3 H 3.19 0.02 2 318 32 32 PRO C C 176.1 0.3 1 319 32 32 PRO CA C 64.5 0.3 1 320 32 32 PRO CB C 30.4 0.3 1 321 32 32 PRO CG C 26.8 0.3 1 322 32 32 PRO CD C 49.5 0.3 1 323 33 33 GLN H H 9.50 0.02 1 324 33 33 GLN HA H 4.60 0.02 1 325 33 33 GLN HB2 H 2.33 0.02 2 326 33 33 GLN HB3 H 2.20 0.02 2 327 33 33 GLN HG2 H 2.56 0.02 2 328 33 33 GLN HG3 H 2.50 0.02 2 329 33 33 GLN HE21 H 7.13 0.02 1 330 33 33 GLN HE22 H 6.57 0.02 1 331 33 33 GLN C C 176.2 0.3 1 332 33 33 GLN CA C 56.8 0.3 1 333 33 33 GLN CB C 27.4 0.3 1 334 33 33 GLN CG C 33.3 0.3 1 335 33 33 GLN N N 118.2 0.3 1 336 33 33 GLN NE2 N 111.6 0.3 1 337 34 34 SER H H 7.54 0.02 1 338 34 34 SER HA H 5.18 0.02 1 339 34 34 SER HB2 H 4.78 0.02 2 340 34 34 SER HB3 H 4.23 0.02 2 341 34 34 SER C C 175.0 0.3 1 342 34 34 SER CA C 57.8 0.3 1 343 34 34 SER CB C 62.7 0.3 1 344 34 34 SER N N 119.1 0.3 1 345 35 35 LEU H H 8.75 0.02 1 346 35 35 LEU HA H 4.67 0.02 1 347 35 35 LEU HB2 H 2.45 0.02 2 348 35 35 LEU HB3 H 1.85 0.02 2 349 35 35 LEU HG H 1.03 0.02 1 350 35 35 LEU HD1 H 1.14 0.02 1 351 35 35 LEU HD2 H 1.08 0.02 1 352 35 35 LEU C C 172.9 0.3 1 353 35 35 LEU CA C 54.4 0.3 1 354 35 35 LEU CB C 39.0 0.3 1 355 35 35 LEU CG C 29.5 0.3 1 356 35 35 LEU CD1 C 24.3 0.3 1 357 35 35 LEU CD2 C 24.2 0.3 1 358 35 35 LEU N N 127.5 0.3 1 359 36 36 GLU H H 7.06 0.02 1 360 36 36 GLU HA H 4.22 0.02 1 361 36 36 GLU HB2 H 1.57 0.02 2 362 36 36 GLU HB3 H 1.13 0.02 2 363 36 36 GLU C C 173.8 0.3 1 364 36 36 GLU CA C 54.1 0.3 1 365 36 36 GLU CB C 32.2 0.3 1 366 36 36 GLU CG C 32.8 0.3 1 367 36 36 GLU N N 126.3 0.3 1 368 37 37 ALA H H 9.33 0.02 1 369 37 37 ALA HA H 4.66 0.02 1 370 37 37 ALA HB H 1.31 0.02 1 371 37 37 ALA C C 175.4 0.3 1 372 37 37 ALA CA C 51.0 0.3 1 373 37 37 ALA CB C 20.9 0.3 1 374 37 37 ALA N N 130.7 0.3 1 375 38 38 LYS H H 8.00 0.02 1 376 38 38 LYS HA H 4.81 0.02 1 377 38 38 LYS HB2 H 1.99 0.02 2 378 38 38 LYS HB3 H 1.80 0.02 2 379 38 38 LYS HG2 H 1.00 0.02 2 380 38 38 LYS HG3 H 0.74 0.02 2 381 38 38 LYS HD2 H 1.74 0.02 2 382 38 38 LYS HD3 H 1.50 0.02 2 383 38 38 LYS HE2 H 3.03 0.02 1 384 38 38 LYS C C 176.8 0.3 1 385 38 38 LYS CA C 56.4 0.3 1 386 38 38 LYS CB C 33.2 0.3 1 387 38 38 LYS CG C 25.4 0.3 1 388 38 38 LYS CD C 29.3 0.3 1 389 38 38 LYS CE C 42.1 0.3 1 390 38 38 LYS N N 119.7 0.3 1 391 39 39 LYS H H 8.20 0.02 1 392 39 39 LYS HA H 4.51 0.02 1 393 39 39 LYS HB2 H 1.70 0.02 2 394 39 39 LYS HB3 H 1.49 0.02 2 395 39 39 LYS HG2 H 1.25 0.02 2 396 39 39 LYS HG3 H 1.10 0.02 2 397 39 39 LYS HD2 H 0.93 0.02 2 398 39 39 LYS C C 173.7 0.3 1 399 39 39 LYS CA C 55.0 0.3 1 400 39 39 LYS CB C 33.6 0.3 1 401 39 39 LYS CG C 29.4 0.3 1 402 39 39 LYS CD C 25.9 0.3 1 403 39 39 LYS N N 121.5 0.3 1 404 40 40 GLY H H 8.48 0.02 1 405 40 40 GLY HA2 H 4.36 0.02 2 406 40 40 GLY HA3 H 3.64 0.02 2 407 40 40 GLY C C 175.1 0.3 1 408 40 40 GLY CA C 44.6 0.3 1 409 40 40 GLY N N 108.3 0.3 1 410 41 41 PHE H H 7.99 0.02 1 411 41 41 PHE HA H 4.57 0.02 1 412 41 41 PHE HB2 H 3.09 0.02 1 413 41 41 PHE HD1 H 6.99 0.02 1 414 41 41 PHE HE1 H 6.30 0.02 1 415 41 41 PHE C C 174.8 0.3 1 416 41 41 PHE CA C 57.2 0.3 1 417 41 41 PHE CB C 41.2 0.3 1 418 41 41 PHE N N 127.7 0.3 1 419 42 42 PRO HA H 2.96 0.02 1 420 42 42 PRO HB2 H 1.64 0.02 2 421 42 42 PRO HB3 H 0.94 0.02 2 422 42 42 PRO HG2 H 1.77 0.02 2 423 42 42 PRO HG3 H 1.49 0.02 2 424 42 42 PRO HD2 H 3.14 0.02 2 425 42 42 PRO HD3 H 3.03 0.02 2 426 42 42 PRO C C 175.6 0.3 1 427 42 42 PRO CA C 63.4 0.3 1 428 42 42 PRO CB C 34.0 0.3 1 429 42 42 PRO CG C 27.8 0.3 1 430 42 42 PRO CD C 41.9 0.3 1 431 43 43 HIS H H 8.28 0.02 1 432 43 43 HIS HA H 4.38 0.02 1 433 43 43 HIS HB2 H 3.33 0.02 1 434 43 43 HIS HD2 H 7.34 0.02 1 435 43 43 HIS HE1 H 8.26 0.02 1 436 43 43 HIS C C 174.5 0.3 1 437 43 43 HIS CA C 58.5 0.3 1 438 43 43 HIS CB C 28.6 0.3 1 439 43 43 HIS CD2 C 121.8 0.3 1 440 43 43 HIS CE1 C 136.3 0.3 1 441 43 43 HIS N N 126.0 0.3 1 442 44 44 SER H H 7.79 0.02 1 443 44 44 SER HA H 4.51 0.02 1 444 44 44 SER HB2 H 3.84 0.02 1 445 44 44 SER C C 173.0 0.3 1 446 44 44 SER CA C 55.9 0.3 1 447 44 44 SER CB C 63.7 0.3 1 448 44 44 SER N N 116.0 0.3 1 449 45 45 GLY H H 8.22 0.02 1 450 45 45 GLY HA2 H 4.47 0.02 2 451 45 45 GLY HA3 H 3.58 0.02 2 452 45 45 GLY C C 171.4 0.3 1 453 45 45 GLY CA C 43.6 0.3 1 454 45 45 GLY N N 107.8 0.3 1 455 46 46 PRO HA H 4.05 0.02 1 456 46 46 PRO HB2 H 1.74 0.02 2 457 46 46 PRO HB3 H 1.48 0.02 2 458 46 46 PRO HD2 H 3.22 0.02 2 459 46 46 PRO HD3 H 3.13 0.02 2 460 46 46 PRO C C 174.7 0.3 1 461 46 46 PRO CA C 63.0 0.3 1 462 46 46 PRO CB C 32.7 0.3 1 463 46 46 PRO CG C 27.2 0.3 1 464 46 46 PRO CD C 50.3 0.3 1 465 47 47 ALA H H 8.66 0.02 1 466 47 47 ALA HA H 4.04 0.02 1 467 47 47 ALA HB H 1.38 0.02 1 468 47 47 ALA C C 175.7 0.3 1 469 47 47 ALA CA C 51.9 0.3 1 470 47 47 ALA CB C 19.9 0.3 1 471 47 47 ALA N N 126.7 0.3 1 472 48 48 ASP H H 8.53 0.02 1 473 48 48 ASP HA H 4.52 0.02 1 474 48 48 ASP HB2 H 2.70 0.02 1 475 48 48 ASP C C 176.8 0.3 1 476 48 48 ASP CA C 56.6 0.3 1 477 48 48 ASP CB C 40.1 0.3 1 478 48 48 ASP N N 119.9 0.3 1 479 49 49 GLY H H 9.07 0.02 1 480 49 49 GLY HA2 H 4.30 0.02 2 481 49 49 GLY HA3 H 3.70 0.02 2 482 49 49 GLY C C 172.8 0.3 1 483 49 49 GLY CA C 46.0 0.3 1 484 49 49 GLY N N 112.3 0.3 1 485 50 50 GLN H H 8.35 0.02 1 486 50 50 GLN HA H 5.21 0.02 1 487 50 50 GLN HB2 H 2.01 0.02 2 488 50 50 GLN HB3 H 1.75 0.02 2 489 50 50 GLN HG2 H 2.33 0.02 1 490 50 50 GLN HE21 H 7.61 0.02 1 491 50 50 GLN HE22 H 6.66 0.02 1 492 50 50 GLN C C 175.0 0.3 1 493 50 50 GLN CA C 54.2 0.3 1 494 50 50 GLN CB C 29.9 0.3 1 495 50 50 GLN CG C 35.6 0.3 1 496 50 50 GLN N N 119.3 0.3 1 497 50 50 GLN NE2 N 112.5 0.3 1 498 51 51 ILE H H 7.73 0.02 1 499 51 51 ILE HA H 3.18 0.02 1 500 51 51 ILE HB H 1.42 0.02 1 501 51 51 ILE HG12 H 1.93 0.02 1 502 51 51 ILE HG2 H 0.38 0.02 1 503 51 51 ILE HD1 H 0.94 0.02 1 504 51 51 ILE C C 176.6 0.3 1 505 51 51 ILE CA C 65.1 0.3 1 506 51 51 ILE CB C 40.2 0.3 1 507 51 51 ILE CG1 C 29.3 0.3 1 508 51 51 ILE CG2 C 18.0 0.3 1 509 51 51 ILE CD1 C 13.3 0.3 1 510 51 51 ILE N N 123.1 0.3 1 511 52 52 ALA H H 8.25 0.02 1 512 52 52 ALA HA H 3.79 0.02 1 513 52 52 ALA HB H 1.26 0.02 1 514 52 52 ALA C C 177.6 0.3 1 515 52 52 ALA CA C 54.6 0.3 1 516 52 52 ALA CB C 20.5 0.3 1 517 52 52 ALA N N 120.5 0.3 1 518 53 53 SER H H 8.32 0.02 1 519 53 53 SER HA H 4.29 0.02 1 520 53 53 SER HB2 H 4.57 0.02 2 521 53 53 SER HB3 H 3.19 0.02 2 522 53 53 SER C C 172.7 0.3 1 523 53 53 SER CA C 57.8 0.3 1 524 53 53 SER CB C 62.7 0.3 1 525 53 53 SER N N 110.1 0.3 1 526 54 54 ALA H H 8.02 0.02 1 527 54 54 ALA HA H 3.18 0.02 1 528 54 54 ALA HB H 1.36 0.02 1 529 54 54 ALA C C 174.1 0.3 1 530 54 54 ALA CA C 52.3 0.3 1 531 54 54 ALA CB C 18.4 0.3 1 532 54 54 ALA N N 124.0 0.3 1 533 55 55 GLY H H 9.26 0.02 1 534 55 55 GLY HA2 H 4.15 0.02 2 535 55 55 GLY HA3 H 3.71 0.02 2 536 55 55 GLY C C 175.3 0.3 1 537 55 55 GLY CA C 45.6 0.3 1 538 55 55 GLY N N 102.3 0.3 1 539 56 56 GLY H H 8.81 0.02 1 540 56 56 GLY HA2 H 4.17 0.02 2 541 56 56 GLY HA3 H 3.49 0.02 2 542 56 56 GLY C C 174.8 0.3 1 543 56 56 GLY CA C 45.1 0.3 1 544 56 56 GLY N N 111.9 0.3 1 545 57 57 LEU H H 7.74 0.02 1 546 57 57 LEU HA H 3.99 0.02 1 547 57 57 LEU HB2 H 2.09 0.02 2 548 57 57 LEU HB3 H 0.85 0.02 2 549 57 57 LEU HG H 1.69 0.02 1 550 57 57 LEU HD1 H 0.53 0.02 1 551 57 57 LEU HD2 H 0.35 0.02 1 552 57 57 LEU C C 179.1 0.3 1 553 57 57 LEU CA C 55.8 0.3 1 554 57 57 LEU CB C 42.8 0.3 1 555 57 57 LEU CG C 26.6 0.3 1 556 57 57 LEU CD1 C 22.0 0.3 1 557 57 57 LEU CD2 C 24.7 0.3 1 558 57 57 LEU N N 120.7 0.3 1 559 58 58 PHE H H 9.09 0.02 1 560 58 58 PHE HA H 4.27 0.02 1 561 58 58 PHE HB2 H 3.53 0.02 2 562 58 58 PHE HB3 H 2.99 0.02 2 563 58 58 PHE HD1 H 7.15 0.02 1 564 58 58 PHE HE1 H 6.99 0.02 1 565 58 58 PHE HZ H 6.89 0.02 1 566 58 58 PHE C C 177.5 0.3 1 567 58 58 PHE CA C 58.3 0.3 1 568 58 58 PHE CB C 37.6 0.3 1 569 58 58 PHE N N 119.3 0.3 1 570 59 59 GLY H H 8.94 0.02 1 571 59 59 GLY HA2 H 4.34 0.02 2 572 59 59 GLY HA3 H 3.85 0.02 2 573 59 59 GLY C C 175.0 0.3 1 574 59 59 GLY CA C 45.4 0.3 1 575 59 59 GLY N N 108.4 0.3 1 576 60 60 GLY H H 8.17 0.02 1 577 60 60 GLY HA2 H 4.18 0.02 2 578 60 60 GLY HA3 H 3.55 0.02 2 579 60 60 GLY C C 174.2 0.3 1 580 60 60 GLY CA C 45.7 0.3 1 581 60 60 GLY N N 108.5 0.3 1 582 61 61 ILE H H 7.15 0.02 1 583 61 61 ILE HA H 3.81 0.02 1 584 61 61 ILE HB H 2.04 0.02 1 585 61 61 ILE HG12 H 1.64 0.02 2 586 61 61 ILE HG13 H 1.50 0.02 2 587 61 61 ILE HG2 H 1.13 0.02 1 588 61 61 ILE HD1 H 0.89 0.02 1 589 61 61 ILE C C 178.0 0.3 1 590 61 61 ILE CA C 63.0 0.3 1 591 61 61 ILE CB C 36.1 0.3 1 592 61 61 ILE CG1 C 28.6 0.3 1 593 61 61 ILE CG2 C 19.4 0.3 1 594 61 61 ILE CD1 C 10.0 0.3 1 595 61 61 ILE N N 124.3 0.3 1 596 62 62 LEU H H 8.16 0.02 1 597 62 62 LEU HA H 4.28 0.02 1 598 62 62 LEU HB2 H 1.27 0.02 2 599 62 62 LEU HB3 H 1.07 0.02 2 600 62 62 LEU HG H 0.81 0.02 1 601 62 62 LEU HD1 H 0.47 0.02 1 602 62 62 LEU HD2 H -0.77 0.02 1 603 62 62 LEU C C 174.7 0.3 1 604 62 62 LEU CA C 56.5 0.3 1 605 62 62 LEU CB C 42.0 0.3 1 606 62 62 LEU CG C 27.5 0.3 1 607 62 62 LEU CD1 C 22.6 0.3 1 608 62 62 LEU CD2 C 26.0 0.3 1 609 62 62 LEU N N 114.7 0.3 1 610 63 63 ASP H H 7.44 0.02 1 611 63 63 ASP HA H 4.63 0.02 1 612 63 63 ASP HB2 H 3.14 0.02 2 613 63 63 ASP HB3 H 2.82 0.02 2 614 63 63 ASP C C 178.7 0.3 1 615 63 63 ASP CA C 55.2 0.3 1 616 63 63 ASP CB C 41.5 0.3 1 617 63 63 ASP N N 112.8 0.3 1 618 64 64 GLN H H 8.19 0.02 1 619 64 64 GLN HA H 4.25 0.02 1 620 64 64 GLN HB2 H 2.32 0.02 2 621 64 64 GLN HB3 H 1.97 0.02 2 622 64 64 GLN HG2 H 2.09 0.02 1 623 64 64 GLN HE21 H 7.88 0.02 1 624 64 64 GLN HE22 H 7.05 0.02 1 625 64 64 GLN C C 176.8 0.3 1 626 64 64 GLN CA C 58.4 0.3 1 627 64 64 GLN CB C 27.6 0.3 1 628 64 64 GLN CG C 36.1 0.3 1 629 64 64 GLN N N 124.6 0.3 1 630 64 64 GLN NE2 N 112.0 0.3 1 631 65 65 GLN H H 8.93 0.02 1 632 65 65 GLN HA H 4.47 0.02 1 633 65 65 GLN HB2 H 2.16 0.02 2 634 65 65 GLN HB3 H 1.88 0.02 2 635 65 65 GLN HE21 H 8.02 0.02 1 636 65 65 GLN C C 171.7 0.3 1 637 65 65 GLN CA C 56.9 0.3 1 638 65 65 GLN CB C 31.0 0.3 1 639 65 65 GLN N N 126.3 0.3 1 640 65 65 GLN NE2 N 118.3 0.3 1 641 66 66 SER H H 7.14 0.02 1 642 66 66 SER HA H 5.40 0.02 1 643 66 66 SER HB2 H 4.08 0.02 2 644 66 66 SER HB3 H 3.99 0.02 2 645 66 66 SER C C 175.4 0.3 1 646 66 66 SER CA C 57.9 0.3 1 647 66 66 SER CB C 65.2 0.3 1 648 66 66 SER N N 120.4 0.3 1 649 67 67 GLU H H 8.91 0.02 1 650 67 67 GLU HA H 3.95 0.02 1 651 67 67 GLU HB2 H 2.16 0.02 2 652 67 67 GLU HB3 H 1.97 0.02 2 653 67 67 GLU HG2 H 2.43 0.02 2 654 67 67 GLU HG3 H 2.32 0.02 2 655 67 67 GLU C C 175.7 0.3 1 656 67 67 GLU CA C 60.1 0.3 1 657 67 67 GLU CB C 29.4 0.3 1 658 67 67 GLU CG C 34.4 0.3 1 659 67 67 GLU N N 122.1 0.3 1 660 68 68 ASN H H 8.12 0.02 1 661 68 68 ASN HA H 4.80 0.02 1 662 68 68 ASN HB2 H 2.81 0.02 2 663 68 68 ASN HB3 H 2.62 0.02 2 664 68 68 ASN HD21 H 7.52 0.02 1 665 68 68 ASN HD22 H 6.90 0.02 1 666 68 68 ASN C C 175.3 0.3 1 667 68 68 ASN CA C 52.2 0.3 1 668 68 68 ASN CB C 39.2 0.3 1 669 68 68 ASN N N 113.7 0.3 1 670 68 68 ASN ND2 N 114.3 0.3 1 671 69 69 ARG H H 6.82 0.02 1 672 69 69 ARG HA H 3.67 0.02 1 673 69 69 ARG HB2 H 1.74 0.02 2 674 69 69 ARG HB3 H 0.95 0.02 2 675 69 69 ARG HG2 H 0.67 0.02 2 676 69 69 ARG HG3 H 0.38 0.02 2 677 69 69 ARG HD2 H 2.97 0.02 1 678 69 69 ARG C C 174.4 0.3 1 679 69 69 ARG CA C 57.1 0.3 1 680 69 69 ARG CB C 30.8 0.3 1 681 69 69 ARG CG C 29.3 0.3 1 682 69 69 ARG N N 122.2 0.3 1 683 70 70 TRP H H 8.52 0.02 1 684 70 70 TRP HA H 5.21 0.02 1 685 70 70 TRP HB2 H 3.55 0.02 2 686 70 70 TRP HB3 H 2.63 0.02 2 687 70 70 TRP HD1 H 7.47 0.02 1 688 70 70 TRP HE1 H 10.74 0.02 1 689 70 70 TRP HZ2 H 7.72 0.02 1 690 70 70 TRP C C 174.9 0.3 1 691 70 70 TRP CA C 53.3 0.3 1 692 70 70 TRP CB C 33.5 0.3 1 693 70 70 TRP N N 117.9 0.3 1 694 70 70 TRP NE1 N 132.9 0.3 1 695 71 71 PHE H H 10.09 0.02 1 696 71 71 PHE HA H 4.09 0.02 1 697 71 71 PHE HB2 H 2.95 0.02 2 698 71 71 PHE HB3 H 2.60 0.02 2 699 71 71 PHE HD1 H 7.04 0.02 1 700 71 71 PHE HE1 H 6.83 0.02 1 701 71 71 PHE HZ H 6.37 0.02 1 702 71 71 PHE C C 174.6 0.3 1 703 71 71 PHE CA C 59.2 0.3 1 704 71 71 PHE CB C 39.2 0.3 1 705 71 71 PHE N N 126.8 0.3 1 706 72 72 LYS H H 7.18 0.02 1 707 72 72 LYS HA H 4.33 0.02 1 708 72 72 LYS HB2 H 1.26 0.02 1 709 72 72 LYS HG2 H 0.92 0.02 2 710 72 72 LYS HG3 H 0.85 0.02 2 711 72 72 LYS HD2 H 1.76 0.02 2 712 72 72 LYS HD3 H 1.62 0.02 2 713 72 72 LYS HE2 H 3.03 0.02 1 714 72 72 LYS C C 174.5 0.3 1 715 72 72 LYS CA C 53.6 0.3 1 716 72 72 LYS CB C 34.9 0.3 1 717 72 72 LYS CG C 23.8 0.3 1 718 72 72 LYS CD C 27.9 0.3 1 719 72 72 LYS CE C 42.0 0.3 1 720 72 72 LYS N N 125.7 0.3 1 721 73 73 HIS H H 8.39 0.02 1 722 73 73 HIS HA H 4.49 0.02 1 723 73 73 HIS HB2 H 2.99 0.02 1 724 73 73 HIS HD2 H 6.66 0.02 1 725 73 73 HIS HE1 H 7.63 0.02 1 726 73 73 HIS C C 175.3 0.3 1 727 73 73 HIS CA C 55.9 0.3 1 728 73 73 HIS CB C 31.3 0.3 1 729 73 73 HIS CD2 C 122.1 0.3 1 730 73 73 HIS CE1 C 136.4 0.3 1 731 73 73 HIS N N 122.5 0.3 1 732 74 74 ILE H H 8.95 0.02 1 733 74 74 ILE HA H 4.83 0.02 1 734 74 74 ILE HB H 1.83 0.02 1 735 74 74 ILE HG12 H 1.71 0.02 2 736 74 74 ILE HG13 H 1.20 0.02 2 737 74 74 ILE HG2 H 0.77 0.02 1 738 74 74 ILE HD1 H 0.93 0.02 1 739 74 74 ILE C C 176.5 0.3 1 740 74 74 ILE CA C 62.1 0.3 1 741 74 74 ILE CB C 37.6 0.3 1 742 74 74 ILE CG1 C 27.7 0.3 1 743 74 74 ILE CG2 C 18.5 0.3 1 744 74 74 ILE CD1 C 13.3 0.3 1 745 74 74 ILE N N 129.9 0.3 1 746 75 75 MET H H 8.72 0.02 1 747 75 75 MET HA H 4.86 0.02 1 748 75 75 MET HB2 H 2.06 0.02 2 749 75 75 MET HB3 H 1.79 0.02 2 750 75 75 MET HG2 H 2.35 0.02 1 751 75 75 MET C C 173.6 0.3 1 752 75 75 MET CA C 54.8 0.3 1 753 75 75 MET CB C 36.9 0.3 1 754 75 75 MET CG C 30.5 0.3 1 755 75 75 MET N N 128.5 0.3 1 756 76 76 THR H H 8.20 0.02 1 757 76 76 THR HA H 5.17 0.02 1 758 76 76 THR HB H 4.55 0.02 1 759 76 76 THR HG2 H 1.24 0.02 1 760 76 76 THR C C 175.9 0.3 1 761 76 76 THR CA C 60.2 0.3 1 762 76 76 THR CB C 71.8 0.3 1 763 76 76 THR CG2 C 21.6 0.3 1 764 76 76 THR N N 112.2 0.3 1 765 77 77 GLY H H 8.61 0.02 1 766 77 77 GLY HA2 H 4.04 0.02 2 767 77 77 GLY HA3 H 3.49 0.02 2 768 77 77 GLY C C 173.0 0.3 1 769 77 77 GLY CA C 44.7 0.3 1 770 77 77 GLY N N 105.9 0.3 1 771 78 78 GLY H H 9.04 0.02 1 772 78 78 GLY HA2 H 4.33 0.02 2 773 78 78 GLY HA3 H 3.32 0.02 2 774 78 78 GLY C C 174.4 0.3 1 775 78 78 GLY CA C 43.4 0.3 1 776 78 78 GLY N N 109.9 0.3 1 777 79 79 GLU H H 8.76 0.02 1 778 79 79 GLU HA H 4.24 0.02 1 779 79 79 GLU HB2 H 1.86 0.02 2 780 79 79 GLU HB3 H 1.73 0.02 2 781 79 79 GLU HG2 H 3.04 0.02 2 782 79 79 GLU HG3 H 2.91 0.02 2 783 79 79 GLU C C 176.1 0.3 1 784 79 79 GLU CA C 57.9 0.3 1 785 79 79 GLU CB C 29.5 0.3 1 786 79 79 GLU CG C 37.65 0.3 1 787 79 79 GLU N N 123.6 0.3 1 788 80 80 HIS H H 9.15 0.02 1 789 80 80 HIS HA H 4.67 0.02 1 790 80 80 HIS HB2 H 2.90 0.02 2 791 80 80 HIS HB3 H 2.72 0.02 2 792 80 80 HIS HD2 H 7.75 0.02 1 793 80 80 HIS HE1 H 8.30 0.02 1 794 80 80 HIS C C 172.2 0.3 1 795 80 80 HIS CA C 55.2 0.3 1 796 80 80 HIS CB C 33.7 0.3 1 797 80 80 HIS CD2 C 119.8 0.3 1 798 80 80 HIS CE1 C 139.3 0.3 1 799 80 80 HIS N N 126.6 0.3 1 800 81 81 THR H H 8.21 0.02 1 801 81 81 THR HA H 4.99 0.02 1 802 81 81 THR HB H 3.66 0.02 1 803 81 81 THR HG2 H 0.76 0.02 1 804 81 81 THR C C 173.3 0.3 1 805 81 81 THR CA C 61.6 0.3 1 806 81 81 THR CB C 69.4 0.3 1 807 81 81 THR CG2 C 22.0 0.3 1 808 81 81 THR N N 118.2 0.3 1 809 82 82 PHE H H 8.99 0.02 1 810 82 82 PHE HA H 4.96 0.02 1 811 82 82 PHE HB2 H 3.04 0.02 2 812 82 82 PHE HB3 H 2.72 0.02 2 813 82 82 PHE HD1 H 6.98 0.02 1 814 82 82 PHE HE1 H 6.85 0.02 1 815 82 82 PHE HZ H 6.49 0.02 1 816 82 82 PHE C C 174.3 0.3 1 817 82 82 PHE CA C 56.8 0.3 1 818 82 82 PHE CB C 42.0 0.3 1 819 82 82 PHE CZ C 129.8 0.3 1 820 82 82 PHE N N 127.9 0.3 1 821 83 83 THR H H 9.07 0.02 1 822 83 83 THR HA H 4.73 0.02 1 823 83 83 THR HB H 3.72 0.02 1 824 83 83 THR HG2 H 1.10 0.02 1 825 83 83 THR C C 173.4 0.3 1 826 83 83 THR CA C 62.4 0.3 1 827 83 83 THR CB C 70.9 0.3 1 828 83 83 THR CG2 C 22.3 0.3 1 829 83 83 THR N N 121.4 0.3 1 830 84 84 TRP H H 8.16 0.02 1 831 84 84 TRP HA H 4.52 0.02 1 832 84 84 TRP HB2 H 2.57 0.02 2 833 84 84 TRP HB3 H 2.16 0.02 2 834 84 84 TRP HD1 H 6.48 0.02 1 835 84 84 TRP HE1 H 9.96 0.02 1 836 84 84 TRP HZ2 H 6.98 0.02 1 837 84 84 TRP C C 173.5 0.3 1 838 84 84 TRP CA C 56.4 0.3 1 839 84 84 TRP CB C 31.3 0.3 1 840 84 84 TRP N N 130.2 0.3 1 841 84 84 TRP NE1 N 131.3 0.3 1 842 85 85 THR H H 8.19 0.02 1 843 85 85 THR HA H 4.20 0.02 1 844 85 85 THR HB H 3.29 0.02 1 845 85 85 THR HG2 H 0.15 0.02 1 846 85 85 THR C C 170.6 0.3 1 847 85 85 THR CA C 59.8 0.3 1 848 85 85 THR CB C 69.8 0.3 1 849 85 85 THR CG2 C 19.5 0.3 1 850 85 85 THR N N 114.9 0.3 1 851 86 86 TYR H H 8.31 0.02 1 852 86 86 TYR HA H 5.12 0.02 1 853 86 86 TYR HB2 H 2.46 0.02 1 854 86 86 TYR HD1 H 6.50 0.02 1 855 86 86 TYR HE1 H 5.60 0.02 1 856 86 86 TYR C C 176.3 0.3 1 857 86 86 TYR CA C 57.6 0.3 1 858 86 86 TYR CB C 42.1 0.3 1 859 86 86 TYR N N 122.7 0.3 1 860 87 87 THR H H 8.06 0.02 1 861 87 87 THR HA H 4.54 0.02 1 862 87 87 THR HB H 4.32 0.02 1 863 87 87 THR HG2 H 1.22 0.02 1 864 87 87 THR C C 176.2 0.3 1 865 87 87 THR CA C 62.9 0.3 1 866 87 87 THR CB C 68.2 0.3 1 867 87 87 THR CG2 C 22.3 0.3 1 868 87 87 THR N N 115.3 0.3 1 869 88 88 ALA H H 8.14 0.02 1 870 88 88 ALA HA H 4.91 0.02 1 871 88 88 ALA HB H 1.38 0.02 1 872 88 88 ALA C C 173.7 0.3 1 873 88 88 ALA CA C 50.3 0.3 1 874 88 88 ALA CB C 19.8 0.3 1 875 88 88 ALA N N 124.5 0.3 1 876 89 89 PRO HA H 4.25 0.02 1 877 89 89 PRO HB2 H 1.98 0.02 2 878 89 89 PRO HB3 H 1.79 0.02 2 879 89 89 PRO HG2 H 1.59 0.02 2 880 89 89 PRO HG3 H 1.50 0.02 2 881 89 89 PRO HD2 H 3.30 0.02 2 882 89 89 PRO HD3 H 3.12 0.02 2 883 89 89 PRO C C 173.9 0.3 1 884 89 89 PRO CA C 61.2 0.3 1 885 89 89 PRO CB C 29.0 0.3 1 886 89 89 PRO CG C 25.1 0.3 1 887 89 89 PRO CD C 50.1 0.3 1 888 90 90 HIS H H 8.13 0.02 1 889 90 90 HIS HA H 4.50 0.02 1 890 90 90 HIS HB2 H 3.48 0.02 2 891 90 90 HIS HB3 H 2.91 0.02 2 892 90 90 HIS HD2 H 7.13 0.02 1 893 90 90 HIS HE1 H 7.76 0.02 1 894 90 90 HIS C C 175.0 0.3 1 895 90 90 HIS CA C 56.1 0.3 1 896 90 90 HIS CB C 31.8 0.3 1 897 90 90 HIS CD2 C 123.2 0.3 1 898 90 90 HIS CE1 C 140.3 0.3 1 899 90 90 HIS N N 123.3 0.3 1 900 91 91 ASN H H 9.25 0.02 1 901 91 91 ASN HA H 4.30 0.02 1 902 91 91 ASN HB2 H 2.91 0.02 2 903 91 91 ASN HB3 H 2.66 0.02 2 904 91 91 ASN C C 176.2 0.3 1 905 91 91 ASN CA C 53.9 0.3 1 906 91 91 ASN CB C 37.3 0.3 1 907 91 91 ASN N N 125.7 0.3 1 908 92 92 THR H H 8.42 0.02 1 909 92 92 THR HA H 4.52 0.02 1 910 92 92 THR HB H 3.67 0.02 1 911 92 92 THR HG2 H -0.09 0.02 1 912 92 92 THR C C 172.2 0.3 1 913 92 92 THR CA C 64.9 0.3 1 914 92 92 THR CB C 72.9 0.3 1 915 92 92 THR CG2 C 18.2 0.3 1 916 92 92 THR N N 121.9 0.3 1 917 93 93 SER H H 8.19 0.02 1 918 93 93 SER HA H 4.64 0.02 1 919 93 93 SER HB2 H 3.84 0.02 2 920 93 93 SER HB3 H 3.70 0.02 2 921 93 93 SER C C 173.7 0.3 1 922 93 93 SER CA C 59.2 0.3 1 923 93 93 SER CB C 63.8 0.3 1 924 93 93 SER N N 122.4 0.3 1 925 94 94 GLN H H 7.08 0.02 1 926 94 94 GLN HA H 5.04 0.02 1 927 94 94 GLN HB2 H 2.62 0.02 2 928 94 94 GLN HB3 H 1.95 0.02 2 929 94 94 GLN HG2 H 2.22 0.02 2 930 94 94 GLN HG3 H 1.76 0.02 2 931 94 94 GLN HE21 H 6.61 0.02 1 932 94 94 GLN HE22 H 6.43 0.02 1 933 94 94 GLN C C 172.7 0.3 1 934 94 94 GLN CA C 55.6 0.3 1 935 94 94 GLN CB C 29.4 0.3 1 936 94 94 GLN CG C 31.0 0.3 1 937 94 94 GLN N N 115.3 0.3 1 938 94 94 GLN NE2 N 109.7 0.3 1 939 95 95 TRP H H 8.79 0.02 1 940 95 95 TRP HA H 5.96 0.02 1 941 95 95 TRP HB2 H 3.08 0.02 2 942 95 95 TRP HB3 H 2.88 0.02 2 943 95 95 TRP HD1 H 7.68 0.02 1 944 95 95 TRP HE1 H 9.44 0.02 1 945 95 95 TRP C C 174.8 0.3 1 946 95 95 TRP CA C 58.0 0.3 1 947 95 95 TRP CB C 34.0 0.3 1 948 95 95 TRP N N 120.1 0.3 1 949 95 95 TRP NE1 N 132.9 0.3 1 950 96 96 HIS H H 9.62 0.02 1 951 96 96 HIS HA H 5.44 0.02 1 952 96 96 HIS HB2 H 3.33 0.02 2 953 96 96 HIS HB3 H 2.99 0.02 2 954 96 96 HIS HD2 H 6.78 0.02 1 955 96 96 HIS HE1 H 8.39 0.02 1 956 96 96 HIS C C 172.3 0.3 1 957 96 96 HIS CA C 54.5 0.3 1 958 96 96 HIS CB C 32.2 0.3 1 959 96 96 HIS CD2 C 117.1 0.3 1 960 96 96 HIS CE1 C 136.0 0.3 1 961 96 96 HIS N N 120.2 0.3 1 962 97 97 TYR H H 8.94 0.02 1 963 97 97 TYR HA H 5.41 0.02 1 964 97 97 TYR HB2 H 2.65 0.02 2 965 97 97 TYR HB3 H 2.28 0.02 2 966 97 97 TYR HD1 H 6.47 0.02 1 967 97 97 TYR HE1 H 6.39 0.02 1 968 97 97 TYR C C 174.0 0.3 1 969 97 97 TYR CA C 57.7 0.3 1 970 97 97 TYR CB C 42.4 0.3 1 971 97 97 TYR N N 120.7 0.3 1 972 98 98 TYR H H 9.88 0.02 1 973 98 98 TYR HA H 5.63 0.02 1 974 98 98 TYR HB2 H 3.16 0.02 2 975 98 98 TYR HB3 H 2.80 0.02 2 976 98 98 TYR HD1 H 6.84 0.02 1 977 98 98 TYR HE1 H 6.30 0.02 1 978 98 98 TYR C C 174.3 0.3 1 979 98 98 TYR CA C 56.2 0.3 1 980 98 98 TYR CB C 43.6 0.3 1 981 98 98 TYR N N 122.4 0.3 1 982 99 99 ILE H H 9.66 0.02 1 983 99 99 ILE HA H 5.82 0.02 1 984 99 99 ILE HB H 1.61 0.02 1 985 99 99 ILE HG12 H 1.80 0.02 1 986 99 99 ILE HG2 H 0.88 0.02 1 987 99 99 ILE HD1 H 0.73 0.02 1 988 99 99 ILE C C 173.3 0.3 1 989 99 99 ILE CA C 59.2 0.3 1 990 99 99 ILE CB C 44.2 0.3 1 991 99 99 ILE CG1 C 29.0 0.3 1 992 99 99 ILE CG2 C 17.2 0.3 1 993 99 99 ILE CD1 C 15.3 0.3 1 994 99 99 ILE N N 121.2 0.3 1 995 100 100 THR H H 8.01 0.02 1 996 100 100 THR HA H 4.13 0.02 1 997 100 100 THR HB H 3.12 0.02 1 998 100 100 THR HG2 H -0.30 0.02 1 999 100 100 THR C C 175.5 0.3 1 1000 100 100 THR CA C 61.6 0.3 1 1001 100 100 THR CB C 71.8 0.3 1 1002 100 100 THR CG2 C 22.6 0.3 1 1003 100 100 THR N N 118.7 0.3 1 1004 101 101 LYS H H 8.51 0.02 1 1005 101 101 LYS HA H 3.96 0.02 1 1006 101 101 LYS HB2 H 1.94 0.02 2 1007 101 101 LYS HB3 H 1.70 0.02 2 1008 101 101 LYS HG2 H 1.24 0.02 2 1009 101 101 LYS HG3 H 0.89 0.02 2 1010 101 101 LYS HD2 H 1.74 0.02 2 1011 101 101 LYS HD3 H 1.49 0.02 2 1012 101 101 LYS HE2 H 3.03 0.02 1 1013 101 101 LYS C C 175.3 0.3 1 1014 101 101 LYS CA C 56.1 0.3 1 1015 101 101 LYS CB C 34.1 0.3 1 1016 101 101 LYS CG C 24.9 0.3 1 1017 101 101 LYS CD C 28.9 0.3 1 1018 101 101 LYS CE C 41.9 0.3 1 1019 101 101 LYS N N 121.8 0.3 1 1020 102 102 LYS H H 8.64 0.02 1 1021 102 102 LYS HA H 4.44 0.02 1 1022 102 102 LYS HB2 H 1.87 0.02 2 1023 102 102 LYS HB3 H 1.58 0.02 2 1024 102 102 LYS HG2 H 1.48 0.02 1 1025 102 102 LYS HD2 H 1.74 0.02 1 1026 102 102 LYS HE2 H 3.14 0.02 2 1027 102 102 LYS HE3 H 3.04 0.02 2 1028 102 102 LYS C C 178.6 0.3 1 1029 102 102 LYS CA C 58.1 0.3 1 1030 102 102 LYS CB C 32.4 0.3 1 1031 102 102 LYS CG C 25.1 0.3 1 1032 102 102 LYS CD C 29.1 0.3 1 1033 102 102 LYS CE C 41.8 0.3 1 1034 102 102 LYS N N 121.6 0.3 1 1035 103 103 GLY H H 10.24 0.02 1 1036 103 103 GLY HA2 H 4.32 0.02 2 1037 103 103 GLY HA3 H 3.83 0.02 2 1038 103 103 GLY C C 174.8 0.3 1 1039 103 103 GLY CA C 45.0 0.3 1 1040 103 103 GLY N N 117.5 0.3 1 1041 104 104 TRP H H 8.25 0.02 1 1042 104 104 TRP HA H 4.42 0.02 1 1043 104 104 TRP HB2 H 3.46 0.02 2 1044 104 104 TRP HB3 H 3.33 0.02 2 1045 104 104 TRP HD1 H 7.31 0.02 1 1046 104 104 TRP HE1 H 9.50 0.02 1 1047 104 104 TRP HZ2 H 7.58 0.02 1 1048 104 104 TRP C C 171.7 0.3 1 1049 104 104 TRP CA C 57.6 0.3 1 1050 104 104 TRP CB C 25.7 0.3 1 1051 104 104 TRP N N 122.9 0.3 1 1052 104 104 TRP NE1 N 132.4 0.3 1 1053 105 105 ASP H H 8.83 0.02 1 1054 105 105 ASP HA H 4.61 0.02 1 1055 105 105 ASP HB2 H 2.89 0.02 2 1056 105 105 ASP HB3 H 2.41 0.02 2 1057 105 105 ASP C C 173.3 0.3 1 1058 105 105 ASP CA C 50.1 0.3 1 1059 105 105 ASP CB C 42.1 0.3 1 1060 105 105 ASP N N 122.1 0.3 1 1061 106 106 PRO HA H 3.43 0.02 1 1062 106 106 PRO HB2 H 1.50 0.02 2 1063 106 106 PRO HB3 H 1.42 0.02 2 1064 106 106 PRO HG2 H 1.08 0.02 1 1065 106 106 PRO HD2 H 3.23 0.02 2 1066 106 106 PRO HD3 H 3.13 0.02 2 1067 106 106 PRO C C 175.4 0.3 1 1068 106 106 PRO CA C 62.4 0.3 1 1069 106 106 PRO CB C 33.3 0.3 1 1070 106 106 PRO CG C 26.0 0.3 1 1071 106 106 PRO CD C 50.0 0.3 1 1072 107 107 ASP H H 8.07 0.02 1 1073 107 107 ASP HA H 5.06 0.02 1 1074 107 107 ASP HB2 H 3.03 0.02 2 1075 107 107 ASP HB3 H 2.57 0.02 2 1076 107 107 ASP C C 174.9 0.3 1 1077 107 107 ASP CA C 53.8 0.3 1 1078 107 107 ASP CB C 41.9 0.3 1 1079 107 107 ASP N N 116.4 0.3 1 1080 108 108 LYS H H 7.50 0.02 1 1081 108 108 LYS HA H 4.96 0.02 1 1082 108 108 LYS HB2 H 1.96 0.02 2 1083 108 108 LYS HB3 H 1.78 0.02 2 1084 108 108 LYS HG2 H 1.49 0.02 1 1085 108 108 LYS HD2 H 1.74 0.02 1 1086 108 108 LYS HE2 H 3.04 0.02 1 1087 108 108 LYS C C 172.7 0.3 1 1088 108 108 LYS CA C 53.3 0.3 1 1089 108 108 LYS CB C 34.1 0.3 1 1090 108 108 LYS CG C 25.0 0.3 1 1091 108 108 LYS CD C 29.3 0.3 1 1092 108 108 LYS CE C 42.0 0.3 1 1093 108 108 LYS N N 122.1 0.3 1 1094 109 109 PRO HA H 4.46 0.02 1 1095 109 109 PRO HB2 H 2.55 0.02 2 1096 109 109 PRO HB3 H 2.18 0.02 2 1097 109 109 PRO HG2 H 1.82 0.02 1 1098 109 109 PRO HD2 H 3.47 0.02 2 1099 109 109 PRO HD3 H 3.38 0.02 2 1100 109 109 PRO C C 176.6 0.3 1 1101 109 109 PRO CA C 62.5 0.3 1 1102 109 109 PRO CB C 32.9 0.3 1 1103 109 109 PRO CG C 29.0 0.3 1 1104 109 109 PRO CD C 42.7 0.3 1 1105 110 110 LEU H H 8.71 0.02 1 1106 110 110 LEU HA H 4.66 0.02 1 1107 110 110 LEU HB2 H 1.53 0.02 1 1108 110 110 LEU HG H 1.61 0.02 1 1109 110 110 LEU HD1 H 1.14 0.02 1 1110 110 110 LEU HD2 H 1.08 0.02 1 1111 110 110 LEU C C 175.7 0.3 1 1112 110 110 LEU CA C 55.2 0.3 1 1113 110 110 LEU CB C 43.0 0.3 1 1114 110 110 LEU CG C 27.1 0.3 1 1115 110 110 LEU CD1 C 24.5 0.3 1 1116 110 110 LEU CD2 C 23.7 0.3 1 1117 110 110 LEU N N 121.9 0.3 1 1118 111 111 LYS H H 9.01 0.02 1 1119 111 111 LYS HA H 4.72 0.02 1 1120 111 111 LYS HB2 H 1.83 0.02 1 1121 111 111 LYS HG2 H 1.04 0.02 1 1122 111 111 LYS HD2 H 1.57 0.02 1 1123 111 111 LYS HE2 H 2.82 0.02 2 1124 111 111 LYS HE3 H 2.63 0.02 2 1125 111 111 LYS C C 176.7 0.3 1 1126 111 111 LYS CA C 53.9 0.3 1 1127 111 111 LYS CB C 34.5 0.3 1 1128 111 111 LYS CD C 29.0 0.3 1 1129 111 111 LYS CE C 39.7 0.3 1 1130 111 111 LYS N N 121.2 0.3 1 1131 112 112 ARG H H 9.55 0.02 1 1132 112 112 ARG HA H 3.98 0.02 1 1133 112 112 ARG HB2 H 1.97 0.02 2 1134 112 112 ARG HB3 H 1.77 0.02 2 1135 112 112 ARG HG2 H 0.93 0.02 2 1136 112 112 ARG HG3 H 0.71 0.02 2 1137 112 112 ARG HD2 H 3.09 0.02 1 1138 112 112 ARG C C 178.7 0.3 1 1139 112 112 ARG CA C 60.8 0.3 1 1140 112 112 ARG CB C 29.2 0.3 1 1141 112 112 ARG N N 124.0 0.3 1 1142 113 113 ALA H H 8.81 0.02 1 1143 113 113 ALA HA H 4.25 0.02 1 1144 113 113 ALA HB H 1.42 0.02 1 1145 113 113 ALA C C 177.6 0.3 1 1146 113 113 ALA CA C 53.9 0.3 1 1147 113 113 ALA CB C 18.6 0.3 1 1148 113 113 ALA N N 119.9 0.3 1 1149 114 114 ASP H H 7.76 0.02 1 1150 114 114 ASP HA H 4.69 0.02 1 1151 114 114 ASP HB2 H 2.73 0.02 2 1152 114 114 ASP HB3 H 2.54 0.02 2 1153 114 114 ASP C C 174.9 0.3 1 1154 114 114 ASP CA C 55.0 0.3 1 1155 114 114 ASP CB C 41.5 0.3 1 1156 114 114 ASP N N 115.6 0.3 1 1157 115 115 PHE H H 7.76 0.02 1 1158 115 115 PHE HA H 4.92 0.02 1 1159 115 115 PHE HB2 H 3.02 0.02 1 1160 115 115 PHE HD1 H 7.00 0.02 1 1161 115 115 PHE HE1 H 6.71 0.02 1 1162 115 115 PHE HZ H 6.25 0.02 1 1163 115 115 PHE C C 175.2 0.3 1 1164 115 115 PHE CA C 59.7 0.3 1 1165 115 115 PHE CB C 41.5 0.3 1 1166 115 115 PHE N N 118.4 0.3 1 1167 116 116 GLU H H 9.47 0.02 1 1168 116 116 GLU HA H 5.06 0.02 1 1169 116 116 GLU HB2 H 2.29 0.02 2 1170 116 116 GLU HB3 H 1.99 0.02 2 1171 116 116 GLU HG2 H 2.13 0.02 2 1172 116 116 GLU HG3 H 1.83 0.02 2 1173 116 116 GLU C C 175.1 0.3 1 1174 116 116 GLU CA C 53.8 0.3 1 1175 116 116 GLU CB C 33.0 0.3 1 1176 116 116 GLU CG C 35.7 0.3 1 1177 116 116 GLU N N 121.5 0.3 1 1178 117 117 LEU H H 9.08 0.02 1 1179 117 117 LEU HA H 4.14 0.02 1 1180 117 117 LEU HB2 H 1.88 0.02 2 1181 117 117 LEU HB3 H 1.59 0.02 2 1182 117 117 LEU HG H 0.93 0.02 1 1183 117 117 LEU HD1 H 0.77 0.02 1 1184 117 117 LEU HD2 H 0.67 0.02 1 1185 117 117 LEU C C 177.4 0.3 1 1186 117 117 LEU CA C 56.9 0.3 1 1187 117 117 LEU CB C 42.4 0.3 1 1188 117 117 LEU CG C 25.9 0.3 1 1189 117 117 LEU CD1 C 21.6 0.3 1 1190 117 117 LEU CD2 C 23.0 0.3 1 1191 117 117 LEU N N 128.0 0.3 1 1192 118 118 ILE H H 9.49 0.02 1 1193 118 118 ILE HA H 4.86 0.02 1 1194 118 118 ILE HB H 2.36 0.02 1 1195 118 118 ILE HG12 H 0.76 0.02 2 1196 118 118 ILE HG13 H 0.23 0.02 2 1197 118 118 ILE HG2 H 1.03 0.02 1 1198 118 118 ILE C C 176.2 0.3 1 1199 118 118 ILE CA C 61.3 0.3 1 1200 118 118 ILE CB C 40.1 0.3 1 1201 118 118 ILE CG2 C 19.0 0.3 1 1202 118 118 ILE N N 121.5 0.3 1 1203 119 119 GLY H H 7.65 0.02 1 1204 119 119 GLY HA2 H 4.31 0.02 2 1205 119 119 GLY HA3 H 3.94 0.02 2 1206 119 119 GLY C C 169.4 0.3 1 1207 119 119 GLY CA C 47.3 0.3 1 1208 119 119 GLY N N 110.4 0.3 1 1209 120 120 ALA H H 8.76 0.02 1 1210 120 120 ALA HA H 5.18 0.02 1 1211 120 120 ALA HB H 1.49 0.02 1 1212 120 120 ALA C C 175.5 0.3 1 1213 120 120 ALA CA C 51.5 0.3 1 1214 120 120 ALA CB C 21.6 0.3 1 1215 120 120 ALA N N 126.9 0.3 1 1216 121 121 VAL H H 9.40 0.02 1 1217 121 121 VAL HA H 4.63 0.02 1 1218 121 121 VAL HB H 2.29 0.02 1 1219 121 121 VAL HG1 H 1.10 0.02 1 1220 121 121 VAL HG2 H 0.68 0.02 1 1221 121 121 VAL C C 172.8 0.3 1 1222 121 121 VAL CA C 59.0 0.3 1 1223 121 121 VAL CB C 33.3 0.3 1 1224 121 121 VAL CG1 C 22.5 0.3 1 1225 121 121 VAL CG2 C 20.3 0.3 1 1226 121 121 VAL N N 125.4 0.3 1 1227 122 122 PRO HA H 4.73 0.02 1 1228 122 122 PRO HB2 H 2.56 0.02 2 1229 122 122 PRO HB3 H 2.08 0.02 2 1230 122 122 PRO HG2 H 1.84 0.02 1 1231 122 122 PRO HD2 H 3.98 0.02 2 1232 122 122 PRO HD3 H 3.63 0.02 2 1233 122 122 PRO C C 175.6 0.3 1 1234 122 122 PRO CA C 62.2 0.3 1 1235 122 122 PRO CB C 32.8 0.3 1 1236 122 122 PRO CG C 28.2 0.3 1 1237 122 122 PRO CD C 50.3 0.3 1 1238 123 123 HIS H H 8.33 0.02 1 1239 123 123 HIS HA H 5.21 0.02 1 1240 123 123 HIS HB2 H 2.92 0.02 2 1241 123 123 HIS HB3 H 2.80 0.02 2 1242 123 123 HIS HD2 H 7.02 0.02 1 1243 123 123 HIS HE1 H 8.41 0.02 1 1244 123 123 HIS C C 174.6 0.3 1 1245 123 123 HIS CA C 54.3 0.3 1 1246 123 123 HIS CB C 34.9 0.3 1 1247 123 123 HIS CD2 C 117.5 0.3 1 1248 123 123 HIS CE1 C 137.3 0.3 1 1249 123 123 HIS N N 125.5 0.3 1 1250 124 124 ASP H H 7.12 0.02 1 1251 124 124 ASP HA H 4.79 0.02 1 1252 124 124 ASP HB2 H 3.02 0.02 2 1253 124 124 ASP HB3 H 2.38 0.02 2 1254 124 124 ASP C C 177.1 0.3 1 1255 124 124 ASP CA C 52.9 0.3 1 1256 124 124 ASP CB C 41.1 0.3 1 1257 124 124 ASP N N 121.3 0.3 1 1258 125 125 GLY H H 7.91 0.02 1 1259 125 125 GLY HA2 H 4.22 0.02 2 1260 125 125 GLY HA3 H 3.35 0.02 2 1261 125 125 GLY C C 174.3 0.3 1 1262 125 125 GLY CA C 45.6 0.3 1 1263 125 125 GLY N N 108.8 0.3 1 1264 126 126 SER H H 8.18 0.02 1 1265 126 126 SER HA H 4.28 0.02 1 1266 126 126 SER HB2 H 3.96 0.02 1 1267 126 126 SER CA C 57.5 0.3 1 1268 126 126 SER CB C 62.4 0.3 1 1269 126 126 SER N N 109.7 0.3 1 1270 127 127 PRO HA H 4.17 0.02 1 1271 127 127 PRO HB2 H 2.65 0.02 2 1272 127 127 PRO HB3 H 1.84 0.02 2 1273 127 127 PRO HG2 H 2.20 0.02 2 1274 127 127 PRO HG3 H 2.13 0.02 2 1275 127 127 PRO HD2 H 3.99 0.02 2 1276 127 127 PRO HD3 H 3.84 0.02 2 1277 127 127 PRO C C 177.4 0.3 1 1278 127 127 PRO CA C 65.6 0.3 1 1279 127 127 PRO CB C 33.1 0.3 1 1280 127 127 PRO CG C 27.6 0.3 1 1281 127 127 PRO CD C 51.1 0.3 1 1282 128 128 ALA H H 6.88 0.02 1 1283 128 128 ALA HA H 3.53 0.02 1 1284 128 128 ALA HB H 0.38 0.02 1 1285 128 128 ALA C C 176.3 0.3 1 1286 128 128 ALA CA C 54.5 0.3 1 1287 128 128 ALA CB C 18.9 0.3 1 1288 128 128 ALA N N 126.4 0.3 1 1289 129 129 SER H H 6.52 0.02 1 1290 129 129 SER HA H 3.95 0.02 1 1291 129 129 SER HB2 H 3.67 0.02 1 1292 129 129 SER C C 174.5 0.3 1 1293 129 129 SER CA C 58.1 0.3 1 1294 129 129 SER CB C 62.6 0.3 1 1295 129 129 SER N N 103.6 0.3 1 1296 130 130 ARG H H 7.68 0.02 1 1297 130 130 ARG HA H 4.34 0.02 1 1298 130 130 ARG HB2 H 2.22 0.02 2 1299 130 130 ARG HB3 H 1.97 0.02 2 1300 130 130 ARG HG2 H 1.99 0.02 2 1301 130 130 ARG HG3 H 1.78 0.02 2 1302 130 130 ARG HD2 H 3.48 0.02 2 1303 130 130 ARG HD3 H 3.40 0.02 2 1304 130 130 ARG C C 176.1 0.3 1 1305 130 130 ARG CA C 57.4 0.3 1 1306 130 130 ARG CB C 30.6 0.3 1 1307 130 130 ARG CG C 28.1 0.3 1 1308 130 130 ARG CD C 42.8 0.3 1 1309 130 130 ARG N N 120.3 0.3 1 1310 131 131 ASN H H 7.65 0.02 1 1311 131 131 ASN HA H 4.93 0.02 1 1312 131 131 ASN HB2 H 3.03 0.02 2 1313 131 131 ASN HB3 H 2.77 0.02 2 1314 131 131 ASN C C 173.7 0.3 1 1315 131 131 ASN CA C 52.4 0.3 1 1316 131 131 ASN CB C 37.6 0.3 1 1317 131 131 ASN N N 117.3 0.3 1 1318 132 132 LEU H H 8.68 0.02 1 1319 132 132 LEU HA H 4.05 0.02 1 1320 132 132 LEU HB2 H 1.78 0.02 2 1321 132 132 LEU HB3 H 1.60 0.02 2 1322 132 132 LEU HG H 1.00 0.02 1 1323 132 132 LEU HD1 H 0.53 0.02 1 1324 132 132 LEU HD2 H 0.35 0.02 1 1325 132 132 LEU C C 177.4 0.3 1 1326 132 132 LEU CA C 58.2 0.3 1 1327 132 132 LEU CB C 44.5 0.3 1 1328 132 132 LEU CG C 28.9 0.3 1 1329 132 132 LEU CD1 C 21.8 0.3 1 1330 132 132 LEU CD2 C 24.5 0.3 1 1331 132 132 LEU N N 124.4 0.3 1 1332 133 133 SER H H 7.65 0.02 1 1333 133 133 SER HA H 5.14 0.02 1 1334 133 133 SER HB2 H 3.48 0.02 2 1335 133 133 SER HB3 H 3.33 0.02 2 1336 133 133 SER C C 171.9 0.3 1 1337 133 133 SER CA C 56.9 0.3 1 1338 133 133 SER CB C 65.0 0.3 1 1339 133 133 SER N N 113.5 0.3 1 1340 134 134 HIS H H 8.76 0.02 1 1341 134 134 HIS HA H 4.90 0.02 1 1342 134 134 HIS HB2 H 2.83 0.02 2 1343 134 134 HIS HB3 H 2.62 0.02 2 1344 134 134 HIS HD2 H 6.91 0.02 1 1345 134 134 HIS HE1 H 7.78 0.02 1 1346 134 134 HIS C C 174.5 0.3 1 1347 134 134 HIS CA C 52.4 0.3 1 1348 134 134 HIS CB C 34.1 0.3 1 1349 134 134 HIS CD2 C 122.0 0.3 1 1350 134 134 HIS CE1 C 137.5 0.3 1 1351 134 134 HIS N N 125.0 0.3 1 1352 135 135 HIS H H 9.25 0.02 1 1353 135 135 HIS HA H 5.12 0.02 1 1354 135 135 HIS HB2 H 3.19 0.02 2 1355 135 135 HIS HB3 H 3.01 0.02 2 1356 135 135 HIS HD2 H 6.99 0.02 1 1357 135 135 HIS HE1 H 7.72 0.02 1 1358 135 135 HIS C C 172.6 0.3 1 1359 135 135 HIS CA C 54.7 0.3 1 1360 135 135 HIS CB C 28.6 0.3 1 1361 135 135 HIS CD2 C 118.1 0.3 1 1362 135 135 HIS CE1 C 140.4 0.3 1 1363 135 135 HIS N N 123.9 0.3 1 1364 136 136 ILE H H 8.85 0.02 1 1365 136 136 ILE HA H 4.46 0.02 1 1366 136 136 ILE HB H 1.73 0.02 1 1367 136 136 ILE HG12 H 0.86 0.02 2 1368 136 136 ILE HG13 H -0.37 0.02 2 1369 136 136 ILE HG2 H 0.37 0.02 1 1370 136 136 ILE HD1 H 0.19 0.02 1 1371 136 136 ILE C C 173.7 0.3 1 1372 136 136 ILE CA C 56.9 0.3 1 1373 136 136 ILE CB C 39.7 0.3 1 1374 136 136 ILE CG1 C 24.7 0.3 1 1375 136 136 ILE CG2 C 16.6 0.3 1 1376 136 136 ILE CD1 C 9.9 0.3 1 1377 136 136 ILE N N 127.4 0.3 1 1378 137 137 TYR H H 9.11 0.02 1 1379 137 137 TYR HA H 4.11 0.02 1 1380 137 137 TYR HB2 H 3.11 0.02 2 1381 137 137 TYR HB3 H 2.92 0.02 2 1382 137 137 TYR HD1 H 7.04 0.02 1 1383 137 137 TYR HE1 H 6.87 0.02 1 1384 137 137 TYR C C 173.4 0.3 1 1385 137 137 TYR CA C 58.3 0.3 1 1386 137 137 TYR CB C 38.0 0.3 1 1387 137 137 TYR N N 129.4 0.3 1 1388 138 138 ILE H H 7.95 0.02 1 1389 138 138 ILE HA H 4.29 0.02 1 1390 138 138 ILE HB H 2.21 0.02 1 1391 138 138 ILE HG12 H 1.73 0.02 2 1392 138 138 ILE HG13 H 1.43 0.02 2 1393 138 138 ILE HG2 H 0.97 0.02 1 1394 138 138 ILE HD1 H 0.82 0.02 1 1395 138 138 ILE C C 173.5 0.3 1 1396 138 138 ILE CA C 57.5 0.3 1 1397 138 138 ILE CB C 37.5 0.3 1 1398 138 138 ILE CG1 C 31.0 0.3 1 1399 138 138 ILE CG2 C 16.8 0.3 1 1400 138 138 ILE CD1 C 12.6 0.3 1 1401 138 138 ILE N N 131.2 0.3 1 1402 139 139 PRO HA H 4.27 0.02 1 1403 139 139 PRO HB2 H 1.98 0.02 2 1404 139 139 PRO HB3 H 1.86 0.02 2 1405 139 139 PRO HG2 H 1.74 0.02 2 1406 139 139 PRO HG3 H 1.50 0.02 2 1407 139 139 PRO HD2 H 3.47 0.02 1 1408 139 139 PRO C C 176.8 0.3 1 1409 139 139 PRO CA C 64.0 0.3 1 1410 139 139 PRO CB C 33.1 0.3 1 1411 139 139 PRO CG C 25.0 0.3 1 1412 139 139 PRO CD C 51.5 0.3 1 1413 140 140 GLU H H 8.50 0.02 1 1414 140 140 GLU HA H 4.59 0.02 1 1415 140 140 GLU HB2 H 2.58 0.02 2 1416 140 140 GLU HB3 H 1.85 0.02 2 1417 140 140 GLU HG2 H 2.34 0.02 2 1418 140 140 GLU HG3 H 2.08 0.02 2 1419 140 140 GLU C C 175.3 0.3 1 1420 140 140 GLU CA C 56.2 0.3 1 1421 140 140 GLU CB C 30.6 0.3 1 1422 140 140 GLU CG C 37.4 0.3 1 1423 140 140 GLU N N 120.5 0.3 1 1424 141 141 ASP H H 8.01 0.02 1 1425 141 141 ASP HA H 4.61 0.02 1 1426 141 141 ASP HB2 H 3.16 0.02 2 1427 141 141 ASP HB3 H 2.59 0.02 2 1428 141 141 ASP C C 174.4 0.3 1 1429 141 141 ASP CA C 52.9 0.3 1 1430 141 141 ASP CB C 41.2 0.3 1 1431 141 141 ASP N N 119.5 0.3 1 1432 142 142 ARG H H 7.26 0.02 1 1433 142 142 ARG HA H 4.85 0.02 1 1434 142 142 ARG HB2 H 2.04 0.02 2 1435 142 142 ARG HB3 H 1.57 0.02 2 1436 142 142 ARG HG2 H 1.24 0.02 1 1437 142 142 ARG HD2 H 2.89 0.02 2 1438 142 142 ARG HD3 H 2.78 0.02 2 1439 142 142 ARG C C 171.4 0.3 1 1440 142 142 ARG CA C 53.8 0.3 1 1441 142 142 ARG CB C 31.7 0.3 1 1442 142 142 ARG CG C 25.0 0.3 1 1443 142 142 ARG CD C 41.3 0.3 1 1444 142 142 ARG N N 114.9 0.3 1 1445 143 143 LEU H H 8.72 0.02 1 1446 143 143 LEU HA H 4.85 0.02 1 1447 143 143 LEU HB2 H 1.74 0.02 2 1448 143 143 LEU HB3 H 1.62 0.02 2 1449 143 143 LEU HG H 1.48 0.02 1 1450 143 143 LEU HD1 H 0.93 0.02 1 1451 143 143 LEU HD2 H 0.77 0.02 1 1452 143 143 LEU C C 177.1 0.3 1 1453 143 143 LEU CA C 53.6 0.3 1 1454 143 143 LEU CB C 46.0 0.3 1 1455 143 143 LEU CG C 27.4 0.3 1 1456 143 143 LEU CD1 C 21.6 0.3 1 1457 143 143 LEU CD2 C 21.4 0.3 1 1458 143 143 LEU N N 123.7 0.3 1 1459 144 144 GLY H H 10.03 0.02 1 1460 144 144 GLY HA2 H 4.59 0.02 2 1461 144 144 GLY HA3 H 4.32 0.02 2 1462 144 144 GLY C C 178.3 0.3 1 1463 144 144 GLY CA C 44.2 0.3 1 1464 144 144 GLY N N 110.7 0.3 1 1465 145 145 TYR H H 9.27 0.02 1 1466 145 145 TYR HA H 6.07 0.02 1 1467 145 145 TYR HB2 H 3.34 0.02 2 1468 145 145 TYR HB3 H 3.11 0.02 2 1469 145 145 TYR HD1 H 7.62 0.02 1 1470 145 145 TYR HE1 H 7.20 0.02 1 1471 145 145 TYR C C 176.0 0.3 1 1472 145 145 TYR CA C 55.8 0.3 1 1473 145 145 TYR CB C 37.4 0.3 1 1474 145 145 TYR N N 126.6 0.3 1 1475 146 146 HIS H H 9.95 0.02 1 1476 146 146 HIS HA H 4.11 0.02 1 1477 146 146 HIS HB2 H 2.91 0.02 2 1478 146 146 HIS HB3 H 2.40 0.02 2 1479 146 146 HIS HD2 H 6.91 0.02 1 1480 146 146 HIS HE1 H 8.25 0.02 1 1481 146 146 HIS C C 170.0 0.3 1 1482 146 146 HIS CA C 57.7 0.3 1 1483 146 146 HIS CB C 33.0 0.3 1 1484 146 146 HIS CD2 C 118.7 0.3 1 1485 146 146 HIS CE1 C 136.3 0.3 1 1486 146 146 HIS N N 130.6 0.3 1 1487 147 147 VAL H H 7.06 0.02 1 1488 147 147 VAL HA H 4.99 0.02 1 1489 147 147 VAL HB H 1.28 0.02 1 1490 147 147 VAL HG1 H 0.88 0.02 1 1491 147 147 VAL HG2 H 0.73 0.02 1 1492 147 147 VAL C C 175.2 0.3 1 1493 147 147 VAL CA C 61.3 0.3 1 1494 147 147 VAL CB C 34.2 0.3 1 1495 147 147 VAL CG1 C 21.7 0.3 1 1496 147 147 VAL CG2 C 21.2 0.3 1 1497 147 147 VAL N N 120.5 0.3 1 1498 148 148 ILE H H 9.44 0.02 1 1499 148 148 ILE HA H 5.24 0.02 1 1500 148 148 ILE HB H 1.76 0.02 1 1501 148 148 ILE HG12 H 0.61 0.02 1 1502 148 148 ILE HG2 H 0.92 0.02 1 1503 148 148 ILE HD1 H 0.37 0.02 1 1504 148 148 ILE C C 174.0 0.3 1 1505 148 148 ILE CA C 59.2 0.3 1 1506 148 148 ILE CB C 40.9 0.3 1 1507 148 148 ILE CG1 C 29.3 0.3 1 1508 148 148 ILE CG2 C 15.4 0.3 1 1509 148 148 ILE CD1 C 16.8 0.3 1 1510 148 148 ILE N N 128.1 0.3 1 1511 149 149 LEU H H 9.00 0.02 1 1512 149 149 LEU HA H 4.92 0.02 1 1513 149 149 LEU HB2 H 1.03 0.02 2 1514 149 149 LEU HB3 H 0.56 0.02 2 1515 149 149 LEU HG H 0.80 0.02 1 1516 149 149 LEU HD1 H 0.40 0.02 1 1517 149 149 LEU HD2 H -0.78 0.02 1 1518 149 149 LEU C C 172.6 0.3 1 1519 149 149 LEU CA C 52.8 0.3 1 1520 149 149 LEU CB C 45.8 0.3 1 1521 149 149 LEU CG C 27.2 0.3 1 1522 149 149 LEU CD1 C 23.0 0.3 1 1523 149 149 LEU CD2 C 25.8 0.3 1 1524 149 149 LEU N N 129.7 0.3 1 1525 150 150 ALA H H 9.01 0.02 1 1526 150 150 ALA HA H 4.90 0.02 1 1527 150 150 ALA HB H 1.14 0.02 1 1528 150 150 ALA C C 174.7 0.3 1 1529 150 150 ALA CA C 49.8 0.3 1 1530 150 150 ALA CB C 25.1 0.3 1 1531 150 150 ALA N N 132.3 0.3 1 1532 151 151 VAL H H 9.11 0.02 1 1533 151 151 VAL HA H 4.78 0.02 1 1534 151 151 VAL HB H 1.02 0.02 1 1535 151 151 VAL HG1 H 0.38 0.02 1 1536 151 151 VAL HG2 H 0.30 0.02 1 1537 151 151 VAL C C 174.5 0.3 1 1538 151 151 VAL CA C 60.6 0.3 1 1539 151 151 VAL CB C 33.1 0.3 1 1540 151 151 VAL CG1 C 23.1 0.3 1 1541 151 151 VAL CG2 C 21.8 0.3 1 1542 151 151 VAL N N 123.8 0.3 1 1543 152 152 TRP H H 8.95 0.02 1 1544 152 152 TRP HA H 5.07 0.02 1 1545 152 152 TRP HB2 H 3.27 0.02 2 1546 152 152 TRP HB3 H 2.69 0.02 2 1547 152 152 TRP HD1 H 7.05 0.02 1 1548 152 152 TRP HE1 H 10.47 0.02 1 1549 152 152 TRP C C 173.3 0.3 1 1550 152 152 TRP CA C 53.8 0.3 1 1551 152 152 TRP CB C 32.7 0.3 1 1552 152 152 TRP N N 131.2 0.3 1 1553 152 152 TRP NE1 N 131.8 0.3 1 1554 153 153 ASP H H 8.52 0.02 1 1555 153 153 ASP HA H 4.72 0.02 1 1556 153 153 ASP HB2 H 2.93 0.02 2 1557 153 153 ASP HB3 H 2.28 0.02 2 1558 153 153 ASP C C 174.1 0.3 1 1559 153 153 ASP CA C 53.5 0.3 1 1560 153 153 ASP CB C 41.4 0.3 1 1561 153 153 ASP N N 128.1 0.3 1 1562 154 154 VAL H H 7.53 0.02 1 1563 154 154 VAL HA H 3.76 0.02 1 1564 154 154 VAL HB H 1.98 0.02 1 1565 154 154 VAL HG1 H 0.80 0.02 1 1566 154 154 VAL HG2 H 0.23 0.02 1 1567 154 154 VAL C C 175.7 0.3 1 1568 154 154 VAL CA C 62.6 0.3 1 1569 154 154 VAL CB C 30.6 0.3 1 1570 154 154 VAL CG1 C 22.3 0.3 1 1571 154 154 VAL CG2 C 20.9 0.3 1 1572 154 154 VAL N N 125.8 0.3 1 1573 155 155 ALA H H 8.69 0.02 1 1574 155 155 ALA HA H 4.11 0.02 1 1575 155 155 ALA HB H 1.08 0.02 1 1576 155 155 ALA C C 178.1 0.3 1 1577 155 155 ALA CA C 53.7 0.3 1 1578 155 155 ALA CB C 19.5 0.3 1 1579 155 155 ALA N N 127.7 0.3 1 1580 156 156 ASP H H 8.43 0.02 1 1581 156 156 ASP HA H 4.52 0.02 1 1582 156 156 ASP HB2 H 2.93 0.02 2 1583 156 156 ASP HB3 H 2.72 0.02 2 1584 156 156 ASP C C 175.0 0.3 1 1585 156 156 ASP CA C 54.2 0.3 1 1586 156 156 ASP CB C 39.5 0.3 1 1587 156 156 ASP N N 114.7 0.3 1 1588 157 157 THR H H 7.28 0.02 1 1589 157 157 THR HA H 4.64 0.02 1 1590 157 157 THR HB H 4.31 0.02 1 1591 157 157 THR HG2 H 1.09 0.02 1 1592 157 157 THR C C 173.0 0.3 1 1593 157 157 THR CA C 59.6 0.3 1 1594 157 157 THR CB C 72.1 0.3 1 1595 157 157 THR CG2 C 21.4 0.3 1 1596 157 157 THR N N 109.8 0.3 1 1597 158 158 GLU H H 8.38 0.02 1 1598 158 158 GLU HA H 4.38 0.02 1 1599 158 158 GLU HB2 H 2.34 0.02 2 1600 158 158 GLU HB3 H 1.81 0.02 2 1601 158 158 GLU HG2 H 2.09 0.02 2 1602 158 158 GLU HG3 H 1.87 0.02 2 1603 158 158 GLU C C 175.9 0.3 1 1604 158 158 GLU CA C 55.5 0.3 1 1605 158 158 GLU CB C 29.0 0.3 1 1606 158 158 GLU CG C 35.9 0.3 1 1607 158 158 GLU N N 117.7 0.3 1 1608 159 159 ASN H H 7.82 0.02 1 1609 159 159 ASN HA H 5.41 0.02 1 1610 159 159 ASN HB2 H 2.60 0.02 2 1611 159 159 ASN HB3 H 2.30 0.02 2 1612 159 159 ASN HD21 H 8.27 0.02 1 1613 159 159 ASN HD22 H 7.40 0.02 1 1614 159 159 ASN C C 172.1 0.3 1 1615 159 159 ASN CA C 53.5 0.3 1 1616 159 159 ASN CB C 42.8 0.3 1 1617 159 159 ASN N N 119.4 0.3 1 1618 159 159 ASN ND2 N 121.9 0.3 1 1619 160 160 ALA H H 8.82 0.02 1 1620 160 160 ALA HA H 5.15 0.02 1 1621 160 160 ALA HB H 1.15 0.02 1 1622 160 160 ALA C C 174.4 0.3 1 1623 160 160 ALA CA C 50.5 0.3 1 1624 160 160 ALA CB C 24.8 0.3 1 1625 160 160 ALA N N 120.6 0.3 1 1626 161 161 PHE H H 9.09 0.02 1 1627 161 161 PHE HA H 5.79 0.02 1 1628 161 161 PHE HB2 H 3.64 0.02 2 1629 161 161 PHE HB3 H 3.20 0.02 2 1630 161 161 PHE HD1 H 7.17 0.02 1 1631 161 161 PHE C C 175.6 0.3 1 1632 161 161 PHE CA C 56.2 0.3 1 1633 161 161 PHE CB C 43.0 0.3 1 1634 161 161 PHE N N 118.7 0.3 1 1635 162 162 TYR H H 8.35 0.02 1 1636 162 162 TYR HA H 4.64 0.02 1 1637 162 162 TYR HB2 H 2.83 0.02 2 1638 162 162 TYR HB3 H 2.66 0.02 2 1639 162 162 TYR HD1 H 7.21 0.02 1 1640 162 162 TYR HE1 H 6.70 0.02 1 1641 162 162 TYR C C 175.7 0.3 1 1642 162 162 TYR CA C 59.0 0.3 1 1643 162 162 TYR CB C 41.1 0.3 1 1644 162 162 TYR N N 120.9 0.3 1 1645 163 163 GLN H H 9.34 0.02 1 1646 163 163 GLN HA H 4.60 0.02 1 1647 163 163 GLN HB2 H 1.81 0.02 2 1648 163 163 GLN HB3 H 1.63 0.02 2 1649 163 163 GLN HG2 H 1.75 0.02 2 1650 163 163 GLN HG3 H 1.49 0.02 2 1651 163 163 GLN HE21 H 7.72 0.02 1 1652 163 163 GLN HE22 H 6.92 0.02 1 1653 163 163 GLN C C 174.2 0.3 1 1654 163 163 GLN CA C 53.0 0.3 1 1655 163 163 GLN CB C 33.1 0.3 1 1656 163 163 GLN CG C 36.2 0.3 1 1657 163 163 GLN N N 124.0 0.3 1 1658 163 163 GLN NE2 N 114.0 0.3 1 1659 164 164 VAL H H 7.93 0.02 1 1660 164 164 VAL HA H 5.56 0.02 1 1661 164 164 VAL HB H 1.95 0.02 1 1662 164 164 VAL HG1 H 1.09 0.02 1 1663 164 164 VAL HG2 H 0.84 0.02 1 1664 164 164 VAL C C 175.6 0.3 1 1665 164 164 VAL CA C 60.2 0.3 1 1666 164 164 VAL CB C 33.5 0.3 1 1667 164 164 VAL CG1 C 22.3 0.3 1 1668 164 164 VAL CG2 C 18.6 0.3 1 1669 164 164 VAL N N 117.9 0.3 1 1670 165 165 ILE H H 9.79 0.02 1 1671 165 165 ILE HA H 4.54 0.02 1 1672 165 165 ILE HB H 1.87 0.02 1 1673 165 165 ILE HG12 H 1.80 0.02 2 1674 165 165 ILE HG13 H 1.49 0.02 2 1675 165 165 ILE HG2 H 0.82 0.02 1 1676 165 165 ILE HD1 H 0.95 0.02 1 1677 165 165 ILE C C 173.8 0.3 1 1678 165 165 ILE CA C 60.9 0.3 1 1679 165 165 ILE CB C 42.5 0.3 1 1680 165 165 ILE CG1 C 26.8 0.3 1 1681 165 165 ILE CG2 C 17.9 0.3 1 1682 165 165 ILE CD1 C 15.5 0.3 1 1683 165 165 ILE N N 126.4 0.3 1 1684 166 166 ASP H H 9.22 0.02 1 1685 166 166 ASP HA H 5.44 0.02 1 1686 166 166 ASP HB2 H 2.58 0.02 1 1687 166 166 ASP C C 174.9 0.3 1 1688 166 166 ASP CA C 55.5 0.3 1 1689 166 166 ASP CB C 44.1 0.3 1 1690 166 166 ASP N N 129.3 0.3 1 1691 167 167 VAL H H 9.46 0.02 1 1692 167 167 VAL HA H 5.55 0.02 1 1693 167 167 VAL HB H 2.24 0.02 1 1694 167 167 VAL HG1 H 1.08 0.02 1 1695 167 167 VAL HG2 H 0.97 0.02 1 1696 167 167 VAL C C 172.7 0.3 1 1697 167 167 VAL CA C 59.2 0.3 1 1698 167 167 VAL CB C 36.0 0.3 1 1699 167 167 VAL CG1 C 22.5 0.3 1 1700 167 167 VAL CG2 C 19.2 0.3 1 1701 167 167 VAL N N 117.3 0.3 1 1702 168 168 ASP H H 9.11 0.02 1 1703 168 168 ASP HA H 4.92 0.02 1 1704 168 168 ASP HB2 H 2.71 0.02 2 1705 168 168 ASP HB3 H 2.09 0.02 2 1706 168 168 ASP C C 174.5 0.3 1 1707 168 168 ASP CA C 52.1 0.3 1 1708 168 168 ASP CB C 41.2 0.3 1 1709 168 168 ASP N N 126.0 0.3 1 1710 169 169 LEU H H 8.25 0.02 1 1711 169 169 LEU HA H 5.43 0.02 1 1712 169 169 LEU HB2 H 2.19 0.02 2 1713 169 169 LEU HB3 H 1.56 0.02 2 1714 169 169 LEU HG H 1.77 0.02 1 1715 169 169 LEU HD1 H 0.72 0.02 1 1716 169 169 LEU HD2 H 0.63 0.02 1 1717 169 169 LEU C C 177.7 0.3 1 1718 169 169 LEU CA C 54.1 0.3 1 1719 169 169 LEU CB C 42.0 0.3 1 1720 169 169 LEU CG C 28.2 0.3 1 1721 169 169 LEU CD1 C 24.2 0.3 1 1722 169 169 LEU CD2 C 25.3 0.3 1 1723 169 169 LEU N N 123.5 0.3 1 1724 170 170 VAL H H 8.60 0.02 1 1725 170 170 VAL HA H 4.75 0.02 1 1726 170 170 VAL HB H 2.31 0.02 1 1727 170 170 VAL HG1 H 0.92 0.02 1 1728 170 170 VAL HG2 H 0.70 0.02 1 1729 170 170 VAL C C 175.6 0.3 1 1730 170 170 VAL CA C 59.2 0.3 1 1731 170 170 VAL CB C 35.7 0.3 1 1732 170 170 VAL CG1 C 21.6 0.3 1 1733 170 170 VAL CG2 C 18.2 0.3 1 1734 170 170 VAL N N 119.0 0.3 1 1735 171 171 ASN H H 8.46 0.02 1 1736 171 171 ASN HA H 4.72 0.02 1 1737 171 171 ASN HB2 H 2.85 0.02 2 1738 171 171 ASN HB3 H 2.76 0.02 2 1739 171 171 ASN HD21 H 7.77 0.02 1 1740 171 171 ASN C C 174.6 0.3 1 1741 171 171 ASN CA C 53.2 0.3 1 1742 171 171 ASN CB C 39.7 0.3 1 1743 171 171 ASN N N 119.9 0.3 1 1744 171 171 ASN ND2 N 118.5 0.3 1 1745 172 172 LYS H H 8.10 0.02 1 1746 172 172 LYS HA H 4.12 0.02 1 1747 172 172 LYS HB2 H 1.87 0.02 2 1748 172 172 LYS HB3 H 1.79 0.02 2 1749 172 172 LYS HG2 H 1.25 0.02 2 1750 172 172 LYS HG3 H 1.16 0.02 2 1751 172 172 LYS HD2 H 1.74 0.02 2 1752 172 172 LYS HD3 H 1.49 0.02 2 1753 172 172 LYS HE2 H 3.04 0.02 1 1754 172 172 LYS C C 170.5 0.3 1 1755 172 172 LYS CA C 58.2 0.3 1 1756 172 172 LYS CB C 33.8 0.3 1 1757 172 172 LYS CG C 25.2 0.3 1 1758 172 172 LYS CE C 42.2 0.3 1 1759 172 172 LYS N N 126.4 0.3 1 stop_ save_