data_17656 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N NMR assignments of inactive form of P1 endolysin Lyz ; _BMRB_accession_number 17656 _BMRB_flat_file_name bmr17656.str _Entry_type original _Submission_date 2011-05-18 _Accession_date 2011-05-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jagga Zeenia . . 2 Kashyap Maruthi . . 3 Bhaba 'Krishna Das' . . 4 Arockiasamy Arulandu . . 5 Bhavesh 'Neel Sarovar' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 685 "13C chemical shifts" 632 "15N chemical shifts" 183 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-04-06 update BMRB 'update entry citation' 2011-08-17 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 and (15)N NMR assignments of inactive form of P1 endolysin Lyz.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21822941 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kashyap Maruthi . . 2 Jagga Zeenia . . 3 Das 'Bhaba Krishna' . . 4 Arockiasamy Arulandu . . 5 Bhavesh 'Neel Sarovar' . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 87 _Page_last 89 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name P1_endolysin_Lyz _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label P1_endolysin_Lyz $P1_endolysin_Lyz 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_P1_endolysin_Lyz _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common P1_endolysin_Lyz _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 163 _Mol_residue_sequence ; RTNQAGLELIGNAEGCRRDP YMCPAGVWTDGIGNTHGVTP GVRKTDQQIAADWEKNILIA ERCINQHFRGKDMPDNAFSA MTSAAFNMGCNSLRTYYSKA RGMRVETSIHKWAQKGEWVN MCNHLPDFVNSNGVPLRGLK IRREKERQLCLTGLVNEHHH HHH ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 THR 3 ASN 4 GLN 5 ALA 6 GLY 7 LEU 8 GLU 9 LEU 10 ILE 11 GLY 12 ASN 13 ALA 14 GLU 15 GLY 16 CYS 17 ARG 18 ARG 19 ASP 20 PRO 21 TYR 22 MET 23 CYS 24 PRO 25 ALA 26 GLY 27 VAL 28 TRP 29 THR 30 ASP 31 GLY 32 ILE 33 GLY 34 ASN 35 THR 36 HIS 37 GLY 38 VAL 39 THR 40 PRO 41 GLY 42 VAL 43 ARG 44 LYS 45 THR 46 ASP 47 GLN 48 GLN 49 ILE 50 ALA 51 ALA 52 ASP 53 TRP 54 GLU 55 LYS 56 ASN 57 ILE 58 LEU 59 ILE 60 ALA 61 GLU 62 ARG 63 CYS 64 ILE 65 ASN 66 GLN 67 HIS 68 PHE 69 ARG 70 GLY 71 LYS 72 ASP 73 MET 74 PRO 75 ASP 76 ASN 77 ALA 78 PHE 79 SER 80 ALA 81 MET 82 THR 83 SER 84 ALA 85 ALA 86 PHE 87 ASN 88 MET 89 GLY 90 CYS 91 ASN 92 SER 93 LEU 94 ARG 95 THR 96 TYR 97 TYR 98 SER 99 LYS 100 ALA 101 ARG 102 GLY 103 MET 104 ARG 105 VAL 106 GLU 107 THR 108 SER 109 ILE 110 HIS 111 LYS 112 TRP 113 ALA 114 GLN 115 LYS 116 GLY 117 GLU 118 TRP 119 VAL 120 ASN 121 MET 122 CYS 123 ASN 124 HIS 125 LEU 126 PRO 127 ASP 128 PHE 129 VAL 130 ASN 131 SER 132 ASN 133 GLY 134 VAL 135 PRO 136 LEU 137 ARG 138 GLY 139 LEU 140 LYS 141 ILE 142 ARG 143 ARG 144 GLU 145 LYS 146 GLU 147 ARG 148 GLN 149 LEU 150 CYS 151 LEU 152 THR 153 GLY 154 LEU 155 VAL 156 ASN 157 GLU 158 HIS 159 HIS 160 HIS 161 HIS 162 HIS 163 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18253 P1_endolysin_Lyz 100.00 163 100.00 100.00 7.41e-119 PDB 1XJU "Crystal Structure Of Secreted Inactive Form Of P1 Phage Endolysin Lyz" 100.00 163 100.00 100.00 7.41e-119 DBJ BAI39214 "putative Lysis protein [Escherichia coli O111:H- str. 11128]" 96.32 185 99.36 100.00 1.38e-113 EMBL CAA61013 "gp17 lysozyme [Enterobacteria phage P1]" 96.32 185 100.00 100.00 9.02e-114 EMBL CCP96781 "Phage lysin, 1,4-beta-N-acetylmuramidase [Escherichia coli O10:K5(L):H4 str. ATCC 23506]" 96.32 200 100.00 100.00 6.58e-114 EMBL CDK52642 "Phage lysin, 1,4-beta-N-acetylmuramidase or lysozyme [Escherichia coli IS5]" 96.32 214 100.00 100.00 2.39e-113 EMBL CDK58555 "Phage lysin, 1,4-beta-N-acetylmuramidase or lysozyme [Escherichia coli IS9]" 96.32 199 99.36 99.36 5.65e-113 EMBL CDK88832 "Phage lysin, 1,4-beta-N-acetylmuramidase or lysozyme [Escherichia coli IS29]" 96.32 214 99.36 100.00 6.24e-113 GB AAD20630 "lysozyme lysA [enterobacteria phage P1]" 96.32 185 100.00 100.00 9.02e-114 GB AAQ07493 "Lyz [Enterobacteria phage P7]" 96.32 185 99.36 100.00 1.38e-113 GB AAQ13989 "Lyz [Enterobacteria phage P1]" 96.32 185 100.00 100.00 9.02e-114 GB AAQ14097 "Lyz [Enterobacteria phage P1]" 96.32 185 100.00 100.00 9.02e-114 GB AEJ60171 "phage lysis protein Lyz [Escherichia coli UMNF18]" 96.32 185 99.36 100.00 1.38e-113 REF WP_000299977 "lysozyme, partial [Escherichia coli]" 94.48 154 100.00 100.00 3.05e-111 REF WP_000676956 "lysozyme [Escherichia coli]" 96.32 185 99.36 100.00 1.38e-113 REF WP_001339174 "lysozyme [Escherichia coli]" 96.32 185 98.09 98.73 7.15e-111 REF WP_001345478 "MULTISPECIES: lysozyme [Enterobacteriaceae]" 96.32 185 100.00 100.00 9.02e-114 REF WP_001372701 "phage lysozyme, partial [Escherichia coli]" 63.80 161 100.00 100.00 8.79e-71 SP Q37875 "RecName: Full=Lysozyme; AltName: Full=Endolysin; AltName: Full=Lysis protein; AltName: Full=Muramidase; AltName: Full=Protein g" 96.32 185 100.00 100.00 9.02e-114 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $P1_endolysin_Lyz 'P1 Bacteriophage' . Viruses . P1 Bacteriophage 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 $P1_endolysin_Lyz 'recombinant technology' . Escherichia coli . pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $P1_endolysin_Lyz 1 mM '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'Sodium Phosphate' 50 mM 'natural abundance' NaCl 50 mM '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 processing stop_ _Details 'Data Processing' save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 4.5 . 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 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name P1_endolysin_Lyz _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 ARG HA H 4.08 0.02 1 2 1 1 ARG HD2 H 3.03 0.02 1 3 1 1 ARG C C 171.4 0.3 1 4 1 1 ARG CA C 57.5 0.3 1 5 1 1 ARG CB C 30.0 0.3 1 6 1 1 ARG CG C 27.3 0.3 1 7 1 1 ARG CD C 42.7 0.3 1 8 2 2 THR H H 9.08 0.02 1 9 2 2 THR HA H 3.95 0.02 1 10 2 2 THR HB H 3.70 0.02 1 11 2 2 THR HG2 H 1.31 0.02 1 12 2 2 THR C C 174.0 0.3 1 13 2 2 THR CA C 66.8 0.3 1 14 2 2 THR CB C 67.8 0.3 1 15 2 2 THR CG2 C 21.6 0.3 1 16 2 2 THR N N 120.7 0.3 1 17 3 3 ASN H H 8.70 0.02 1 18 3 3 ASN HA H 4.47 0.02 1 19 3 3 ASN HB2 H 3.43 0.02 2 20 3 3 ASN HB3 H 3.01 0.02 2 21 3 3 ASN HD21 H 7.59 0.02 1 22 3 3 ASN HD22 H 6.95 0.02 1 23 3 3 ASN C C 174.6 0.3 1 24 3 3 ASN CA C 51.5 0.3 1 25 3 3 ASN CB C 38.6 0.3 1 26 3 3 ASN N N 125.0 0.3 1 27 3 3 ASN ND2 N 112.5 0.3 1 28 4 4 GLN H H 8.50 0.02 1 29 4 4 GLN HA H 3.88 0.02 1 30 4 4 GLN HB2 H 2.12 0.02 2 31 4 4 GLN HB3 H 1.97 0.02 2 32 4 4 GLN HG2 H 2.42 0.02 2 33 4 4 GLN HG3 H 2.41 0.02 2 34 4 4 GLN HE21 H 7.70 0.02 1 35 4 4 GLN HE22 H 6.88 0.02 1 36 4 4 GLN C C 177.6 0.3 1 37 4 4 GLN CA C 59.2 0.3 1 38 4 4 GLN CB C 28.2 0.3 1 39 4 4 GLN CG C 33.5 0.3 1 40 4 4 GLN N N 117.6 0.3 1 41 4 4 GLN NE2 N 112.7 0.3 1 42 5 5 ALA H H 8.21 0.02 1 43 5 5 ALA HA H 4.10 0.02 1 44 5 5 ALA HB H 1.43 0.02 1 45 5 5 ALA C C 181.3 0.3 1 46 5 5 ALA CA C 54.8 0.3 1 47 5 5 ALA CB C 18.8 0.3 1 48 5 5 ALA N N 121.4 0.3 1 49 6 6 GLY H H 8.70 0.02 1 50 6 6 GLY HA2 H 3.53 0.02 2 51 6 6 GLY HA3 H 3.36 0.02 2 52 6 6 GLY C C 175.1 0.3 1 53 6 6 GLY CA C 47.0 0.3 1 54 6 6 GLY N N 107.0 0.3 1 55 7 7 LEU H H 8.71 0.02 1 56 7 7 LEU HA H 4.02 0.02 1 57 7 7 LEU HB2 H 1.94 0.02 1 58 7 7 LEU HG H 1.67 0.02 1 59 7 7 LEU HD2 H 0.83 0.02 1 60 7 7 LEU C C 180.9 0.3 1 61 7 7 LEU CA C 57.5 0.3 1 62 7 7 LEU CB C 40.7 0.3 1 63 7 7 LEU CG C 25.3 0.3 1 64 7 7 LEU CD2 C 21.6 0.3 1 65 7 7 LEU N N 121.8 0.3 1 66 8 8 GLU H H 8.41 0.02 1 67 8 8 GLU HA H 4.05 0.02 1 68 8 8 GLU HB3 H 2.07 0.02 1 69 8 8 GLU HG2 H 2.51 0.02 2 70 8 8 GLU HG3 H 2.33 0.02 2 71 8 8 GLU C C 178.4 0.3 1 72 8 8 GLU CA C 58.6 0.3 1 73 8 8 GLU CB C 28.8 0.3 1 74 8 8 GLU CG C 35.6 0.3 1 75 8 8 GLU N N 121.5 0.3 1 76 9 9 LEU H H 7.21 0.02 1 77 9 9 LEU HA H 4.01 0.02 1 78 9 9 LEU HB2 H 2.11 0.02 1 79 9 9 LEU HG H 1.41 0.02 1 80 9 9 LEU HD2 H 0.87 0.02 1 81 9 9 LEU C C 178.1 0.3 1 82 9 9 LEU CA C 57.2 0.3 1 83 9 9 LEU CB C 41.7 0.3 1 84 9 9 LEU CG C 26.8 0.3 1 85 9 9 LEU CD2 C 24.0 0.3 1 86 9 9 LEU N N 120.2 0.3 1 87 10 10 ILE H H 7.43 0.02 1 88 10 10 ILE HA H 3.36 0.02 1 89 10 10 ILE HB H 1.57 0.02 1 90 10 10 ILE HG13 H 1.73 0.02 1 91 10 10 ILE HG2 H 0.02 0.02 1 92 10 10 ILE HD1 H 0.40 0.02 1 93 10 10 ILE C C 178.1 0.3 1 94 10 10 ILE CA C 64.0 0.3 1 95 10 10 ILE CB C 39.8 0.3 1 96 10 10 ILE CG1 C 30.4 0.3 1 97 10 10 ILE CG2 C 15.3 0.3 1 98 10 10 ILE CD1 C 13.2 0.3 1 99 10 10 ILE N N 117.6 0.3 1 100 11 11 GLY H H 8.08 0.02 1 101 11 11 GLY HA2 H 4.11 0.02 2 102 11 11 GLY HA3 H 3.74 0.02 2 103 11 11 GLY C C 173.3 0.3 1 104 11 11 GLY CA C 45.1 0.3 1 105 11 11 GLY N N 105.9 0.3 1 106 12 12 ASN H H 8.14 0.02 1 107 12 12 ASN HA H 4.42 0.02 1 108 12 12 ASN HB2 H 2.79 0.02 2 109 12 12 ASN HB3 H 2.68 0.02 2 110 12 12 ASN HD21 H 7.38 0.02 1 111 12 12 ASN HD22 H 6.91 0.02 1 112 12 12 ASN C C 175.6 0.3 1 113 12 12 ASN CA C 50.3 0.3 1 114 12 12 ASN CB C 40.5 0.3 1 115 12 12 ASN N N 118.0 0.3 1 116 12 12 ASN ND2 N 112.2 0.3 1 117 13 13 ALA H H 7.80 0.02 1 118 13 13 ALA HA H 2.54 0.02 1 119 13 13 ALA HB H 0.94 0.02 1 120 13 13 ALA C C 180.0 0.3 1 121 13 13 ALA CA C 54.4 0.3 1 122 13 13 ALA CB C 17.4 0.3 1 123 13 13 ALA N N 122.8 0.3 1 124 14 14 GLU H H 8.10 0.02 1 125 14 14 GLU HA H 3.90 0.02 1 126 14 14 GLU HB2 H 1.94 0.02 2 127 14 14 GLU HB3 H 1.81 0.02 2 128 14 14 GLU HG2 H 2.23 0.02 2 129 14 14 GLU HG3 H 2.18 0.02 2 130 14 14 GLU C C 178.3 0.3 1 131 14 14 GLU CA C 58.9 0.3 1 132 14 14 GLU CB C 28.2 0.3 1 133 14 14 GLU CG C 35.3 0.3 1 134 14 14 GLU N N 119.4 0.3 1 135 15 15 GLY H H 7.86 0.02 1 136 15 15 GLY HA2 H 4.01 0.02 2 137 15 15 GLY HA3 H 3.76 0.02 2 138 15 15 GLY C C 175.7 0.3 1 139 15 15 GLY CA C 46.9 0.3 1 140 15 15 GLY N N 108.2 0.3 1 141 16 16 CYS H H 6.93 0.02 1 142 16 16 CYS HA H 4.76 0.02 1 143 16 16 CYS HB2 H 3.48 0.02 1 144 16 16 CYS C C 174.3 0.3 1 145 16 16 CYS CA C 56.8 0.3 1 146 16 16 CYS CB C 40.1 0.3 1 147 16 16 CYS N N 119.8 0.3 1 148 17 17 ARG H H 7.70 0.02 1 149 17 17 ARG HA H 3.98 0.02 1 150 17 17 ARG HB2 H 1.94 0.02 2 151 17 17 ARG HB3 H 1.83 0.02 2 152 17 17 ARG HG2 H 1.69 0.02 2 153 17 17 ARG HG3 H 1.56 0.02 2 154 17 17 ARG HD2 H 3.14 0.02 1 155 17 17 ARG C C 178.1 0.3 1 156 17 17 ARG CA C 59.0 0.3 1 157 17 17 ARG CB C 29.9 0.3 1 158 17 17 ARG CG C 27.6 0.3 1 159 17 17 ARG CD C 43.3 0.3 1 160 17 17 ARG N N 121.1 0.3 1 161 18 18 ARG H H 7.51 0.02 1 162 18 18 ARG HA H 4.11 0.02 1 163 18 18 ARG HB3 H 1.85 0.02 1 164 18 18 ARG HG2 H 1.59 0.02 1 165 18 18 ARG HD2 H 3.20 0.02 1 166 18 18 ARG C C 176.1 0.3 1 167 18 18 ARG CA C 58.0 0.3 1 168 18 18 ARG CB C 31.3 0.3 1 169 18 18 ARG CG C 27.4 0.3 1 170 18 18 ARG CD C 43.2 0.3 1 171 18 18 ARG N N 115.2 0.3 1 172 19 19 ASP H H 7.82 0.02 1 173 19 19 ASP HA H 5.13 0.02 1 174 19 19 ASP HB2 H 2.57 0.02 2 175 19 19 ASP HB3 H 2.47 0.02 2 176 19 19 ASP C C 172.6 0.3 1 177 19 19 ASP CA C 50.8 0.3 1 178 19 19 ASP CB C 42.2 0.3 1 179 19 19 ASP N N 117.9 0.3 1 180 20 20 PRO HA H 4.98 0.02 1 181 20 20 PRO HB3 H 2.25 0.02 1 182 20 20 PRO HG2 H 1.99 0.02 2 183 20 20 PRO HG3 H 1.87 0.02 2 184 20 20 PRO HD2 H 3.65 0.02 1 185 20 20 PRO C C 178.6 0.3 1 186 20 20 PRO CA C 64.2 0.3 1 187 20 20 PRO CB C 32.1 0.3 1 188 20 20 PRO CG C 27.2 0.3 1 189 20 20 PRO CD C 50.6 0.3 1 190 21 21 TYR H H 7.62 0.02 1 191 21 21 TYR HA H 4.29 0.02 1 192 21 21 TYR HB3 H 2.96 0.02 1 193 21 21 TYR HD1 H 7.15 0.02 1 194 21 21 TYR HE1 H 6.84 0.02 1 195 21 21 TYR C C 176.3 0.3 1 196 21 21 TYR CA C 59.4 0.3 1 197 21 21 TYR CB C 36.2 0.3 1 198 21 21 TYR CD2 C 133.0 0.3 1 199 21 21 TYR CE1 C 118.5 0.3 1 200 21 21 TYR N N 114.5 0.3 1 201 22 22 MET H H 8.39 0.02 1 202 22 22 MET HA H 4.55 0.02 1 203 22 22 MET HB2 H 2.13 0.02 1 204 22 22 MET HG2 H 2.65 0.02 1 205 22 22 MET C C 176.5 0.3 1 206 22 22 MET CA C 54.0 0.3 1 207 22 22 MET CB C 31.4 0.3 1 208 22 22 MET CG C 32.8 0.3 1 209 22 22 MET N N 117.3 0.3 1 210 23 23 CYS H H 7.63 0.02 1 211 23 23 CYS HA H 4.28 0.02 1 212 23 23 CYS HB2 H 3.09 0.02 2 213 23 23 CYS HB3 H 3.06 0.02 2 214 23 23 CYS C C 171.4 0.3 1 215 23 23 CYS CA C 54.8 0.3 1 216 23 23 CYS CB C 41.0 0.3 1 217 23 23 CYS N N 118.1 0.3 1 218 24 24 PRO HA H 4.24 0.02 1 219 24 24 PRO HB3 H 2.09 0.02 1 220 24 24 PRO HG2 H 1.31 0.02 1 221 24 24 PRO C C 177.0 0.3 1 222 24 24 PRO CA C 62.1 0.3 1 223 24 24 PRO CB C 29.5 0.3 1 224 24 24 PRO CG C 26.6 0.3 1 225 24 24 PRO CD C 51.5 0.3 1 226 25 25 ALA H H 7.43 0.02 1 227 25 25 ALA HA H 3.94 0.02 1 228 25 25 ALA HB H 1.18 0.02 1 229 25 25 ALA C C 178.6 0.3 1 230 25 25 ALA CA C 53.5 0.3 1 231 25 25 ALA CB C 18.4 0.3 1 232 25 25 ALA N N 123.7 0.3 1 233 26 26 GLY H H 8.50 0.02 1 234 26 26 GLY HA2 H 3.89 0.02 2 235 26 26 GLY HA3 H 3.74 0.02 2 236 26 26 GLY C C 174.5 0.3 1 237 26 26 GLY CA C 45.4 0.3 1 238 26 26 GLY N N 107.2 0.3 1 239 27 27 VAL H H 7.61 0.02 1 240 27 27 VAL HA H 4.03 0.02 1 241 27 27 VAL HB H 2.04 0.02 1 242 27 27 VAL HG2 H 0.79 0.02 1 243 27 27 VAL C C 175.4 0.3 1 244 27 27 VAL CA C 63.0 0.3 1 245 27 27 VAL CB C 32.0 0.3 1 246 27 27 VAL CG2 C 20.8 0.3 1 247 27 27 VAL N N 117.8 0.3 1 248 28 28 TRP H H 8.00 0.02 1 249 28 28 TRP HA H 4.87 0.02 1 250 28 28 TRP HB3 H 3.19 0.02 1 251 28 28 TRP HD1 H 7.24 0.02 1 252 28 28 TRP HE1 H 10.13 0.02 1 253 28 28 TRP HE3 H 7.58 0.02 1 254 28 28 TRP HZ2 H 7.51 0.02 1 255 28 28 TRP HZ3 H 7.58 0.02 1 256 28 28 TRP HH2 H 7.09 0.02 1 257 28 28 TRP C C 176.2 0.3 1 258 28 28 TRP CA C 56.3 0.3 1 259 28 28 TRP CB C 30.1 0.3 1 260 28 28 TRP CD1 C 124.5 0.3 1 261 28 28 TRP CE3 C 121.2 0.3 1 262 28 28 TRP CZ2 C 114.8 0.3 1 263 28 28 TRP CZ3 C 120.8 0.3 1 264 28 28 TRP CH2 C 121.5 0.3 1 265 28 28 TRP N N 122.3 0.3 1 266 28 28 TRP NE1 N 129.6 0.3 1 267 29 29 THR H H 7.99 0.02 1 268 29 29 THR HA H 4.30 0.02 1 269 29 29 THR HB H 4.13 0.02 1 270 29 29 THR HG2 H 1.02 0.02 1 271 29 29 THR C C 174.0 0.3 1 272 29 29 THR CA C 61.8 0.3 1 273 29 29 THR CB C 69.7 0.3 1 274 29 29 THR CG2 C 21.2 0.3 1 275 29 29 THR N N 115.6 0.3 1 276 30 30 ASP H H 8.24 0.02 1 277 30 30 ASP HA H 4.62 0.02 1 278 30 30 ASP HB2 H 2.72 0.02 1 279 30 30 ASP C C 176.3 0.3 1 280 30 30 ASP CA C 54.2 0.3 1 281 30 30 ASP CB C 40.8 0.3 1 282 30 30 ASP N N 121.8 0.3 1 283 31 31 GLY H H 8.25 0.02 1 284 31 31 GLY HA2 H 3.99 0.02 2 285 31 31 GLY HA3 H 3.92 0.02 2 286 31 31 GLY C C 174.0 0.3 1 287 31 31 GLY CA C 45.3 0.3 1 288 31 31 GLY N N 108.8 0.3 1 289 32 32 ILE H H 8.04 0.02 1 290 32 32 ILE HA H 4.05 0.02 1 291 32 32 ILE HB H 1.82 0.02 1 292 32 32 ILE HG12 H 1.40 0.02 2 293 32 32 ILE HG13 H 1.07 0.02 2 294 32 32 ILE HG2 H 0.82 0.02 1 295 32 32 ILE HD1 H 0.82 0.02 1 296 32 32 ILE C C 176.7 0.3 1 297 32 32 ILE CA C 61.5 0.3 1 298 32 32 ILE CB C 38.5 0.3 1 299 32 32 ILE CG1 C 27.4 0.3 1 300 32 32 ILE CG2 C 17.5 0.3 1 301 32 32 ILE CD1 C 12.6 0.3 1 302 32 32 ILE N N 119.9 0.3 1 303 33 33 GLY H H 8.32 0.02 1 304 33 33 GLY HA2 H 3.92 0.02 2 305 33 33 GLY HA3 H 3.78 0.02 2 306 33 33 GLY C C 173.7 0.3 1 307 33 33 GLY CA C 45.3 0.3 1 308 33 33 GLY N N 112.1 0.3 1 309 34 34 ASN H H 8.27 0.02 1 310 34 34 ASN HA H 4.76 0.02 1 311 34 34 ASN HB2 H 2.75 0.02 1 312 34 34 ASN HD21 H 7.65 0.02 1 313 34 34 ASN HD22 H 6.96 0.02 1 314 34 34 ASN C C 175.6 0.3 1 315 34 34 ASN CA C 53.1 0.3 1 316 34 34 ASN CB C 38.7 0.3 1 317 34 34 ASN N N 118.9 0.3 1 318 34 34 ASN ND2 N 112.8 0.3 1 319 35 35 THR H H 8.19 0.02 1 320 35 35 THR HA H 4.30 0.02 1 321 35 35 THR HB H 4.23 0.02 1 322 35 35 THR HG2 H 1.14 0.02 1 323 35 35 THR C C 175.1 0.3 1 324 35 35 THR CA C 62.0 0.3 1 325 35 35 THR CB C 69.6 0.3 1 326 35 35 THR CG2 C 21.6 0.3 1 327 35 35 THR N N 113.9 0.3 1 328 36 36 HIS H H 8.56 0.02 1 329 36 36 HIS HA H 4.68 0.02 1 330 36 36 HIS HB2 H 3.30 0.02 2 331 36 36 HIS HB3 H 3.10 0.02 2 332 36 36 HIS C C 174.5 0.3 1 333 36 36 HIS CA C 55.4 0.3 1 334 36 36 HIS CB C 28.7 0.3 1 335 36 36 HIS N N 119.9 0.3 1 336 37 37 GLY H H 8.37 0.02 1 337 37 37 GLY HA2 H 4.00 0.02 2 338 37 37 GLY HA3 H 3.94 0.02 2 339 37 37 GLY C C 173.8 0.3 1 340 37 37 GLY CA C 45.1 0.3 1 341 37 37 GLY N N 109.8 0.3 1 342 38 38 VAL H H 8.07 0.02 1 343 38 38 VAL HA H 4.18 0.02 1 344 38 38 VAL HB H 2.09 0.02 1 345 38 38 VAL HG2 H 0.92 0.02 1 346 38 38 VAL C C 176.2 0.3 1 347 38 38 VAL CA C 62.3 0.3 1 348 38 38 VAL CB C 32.7 0.3 1 349 38 38 VAL CG1 C 20.7 0.3 1 350 38 38 VAL CG2 C 20.5 0.3 1 351 38 38 VAL N N 118.9 0.3 1 352 39 39 THR H H 8.27 0.02 1 353 39 39 THR HA H 4.60 0.02 1 354 39 39 THR HB H 4.13 0.02 1 355 39 39 THR C C 172.6 0.3 1 356 39 39 THR CA C 59.7 0.3 1 357 39 39 THR CB C 69.6 0.3 1 358 39 39 THR N N 120.3 0.3 1 359 40 40 PRO HA H 4.38 0.02 1 360 40 40 PRO HB3 H 2.27 0.02 1 361 40 40 PRO HG2 H 1.95 0.02 1 362 40 40 PRO HD2 H 3.85 0.02 2 363 40 40 PRO HD3 H 3.69 0.02 2 364 40 40 PRO C C 177.2 0.3 1 365 40 40 PRO CA C 63.5 0.3 1 366 40 40 PRO CB C 32.2 0.3 1 367 40 40 PRO CG C 27.5 0.3 1 368 40 40 PRO CD C 51.1 0.3 1 369 41 41 GLY H H 8.40 0.02 1 370 41 41 GLY HA2 H 3.98 0.02 2 371 41 41 GLY HA3 H 3.90 0.02 2 372 41 41 GLY C C 173.7 0.3 1 373 41 41 GLY CA C 45.0 0.3 1 374 41 41 GLY N N 109.2 0.3 1 375 42 42 VAL H H 8.00 0.02 1 376 42 42 VAL HA H 4.15 0.02 1 377 42 42 VAL HB H 2.03 0.02 1 378 42 42 VAL HG1 H 0.93 0.02 1 379 42 42 VAL HG2 H 0.89 0.02 1 380 42 42 VAL C C 175.7 0.3 1 381 42 42 VAL CA C 62.2 0.3 1 382 42 42 VAL CB C 33.0 0.3 1 383 42 42 VAL CG2 C 20.7 0.3 1 384 42 42 VAL N N 119.8 0.3 1 385 43 43 ARG H H 8.49 0.02 1 386 43 43 ARG HA H 4.36 0.02 1 387 43 43 ARG HB2 H 1.73 0.02 2 388 43 43 ARG HB3 H 1.61 0.02 2 389 43 43 ARG HG2 H 1.48 0.02 1 390 43 43 ARG HD2 H 3.10 0.02 1 391 43 43 ARG HE H 7.20 0.02 1 392 43 43 ARG C C 176.3 0.3 1 393 43 43 ARG CA C 55.6 0.3 1 394 43 43 ARG CB C 31.0 0.3 1 395 43 43 ARG CG C 27.1 0.3 1 396 43 43 ARG CD C 43.4 0.3 1 397 43 43 ARG N N 125.9 0.3 1 398 43 43 ARG NE N 84.8 0.3 1 399 44 44 LYS H H 8.38 0.02 1 400 44 44 LYS HA H 4.46 0.02 1 401 44 44 LYS HB3 H 1.85 0.02 1 402 44 44 LYS HD2 H 1.57 0.02 1 403 44 44 LYS HE2 H 2.90 0.02 2 404 44 44 LYS HE3 H 2.87 0.02 2 405 44 44 LYS C C 176.5 0.3 1 406 44 44 LYS CA C 56.1 0.3 1 407 44 44 LYS CB C 34.3 0.3 1 408 44 44 LYS CG C 25.3 0.3 1 409 44 44 LYS CD C 29.4 0.3 1 410 44 44 LYS CE C 42.1 0.3 1 411 44 44 LYS N N 123.8 0.3 1 412 45 45 THR H H 8.46 0.02 1 413 45 45 THR HA H 4.68 0.02 1 414 45 45 THR HB H 4.68 0.02 1 415 45 45 THR HG2 H 1.33 0.02 1 416 45 45 THR C C 175.1 0.3 1 417 45 45 THR CA C 60.9 0.3 1 418 45 45 THR CB C 70.8 0.3 1 419 45 45 THR CG2 C 21.9 0.3 1 420 45 45 THR N N 112.5 0.3 1 421 46 46 ASP H H 8.91 0.02 1 422 46 46 ASP HA H 4.36 0.02 1 423 46 46 ASP HB2 H 2.71 0.02 2 424 46 46 ASP HB3 H 2.61 0.02 2 425 46 46 ASP C C 178.8 0.3 1 426 46 46 ASP CA C 57.4 0.3 1 427 46 46 ASP CB C 39.7 0.3 1 428 46 46 ASP N N 121.0 0.3 1 429 47 47 GLN H H 8.51 0.02 1 430 47 47 GLN HA H 4.09 0.02 1 431 47 47 GLN HB3 H 2.04 0.02 1 432 47 47 GLN HG2 H 2.47 0.02 2 433 47 47 GLN HG3 H 2.44 0.02 2 434 47 47 GLN C C 178.6 0.3 1 435 47 47 GLN CA C 59.1 0.3 1 436 47 47 GLN CB C 28.2 0.3 1 437 47 47 GLN CG C 34.1 0.3 1 438 47 47 GLN N N 119.5 0.3 1 439 48 48 GLN H H 7.93 0.02 1 440 48 48 GLN HA H 4.04 0.02 1 441 48 48 GLN HB3 H 2.05 0.02 1 442 48 48 GLN HG2 H 2.45 0.02 1 443 48 48 GLN C C 178.3 0.3 1 444 48 48 GLN CA C 58.5 0.3 1 445 48 48 GLN CB C 28.9 0.3 1 446 48 48 GLN CG C 34.4 0.3 1 447 48 48 GLN N N 121.7 0.3 1 448 49 49 ILE H H 8.39 0.02 1 449 49 49 ILE HA H 3.81 0.02 1 450 49 49 ILE HB H 1.95 0.02 1 451 49 49 ILE HG13 H 1.06 0.02 1 452 49 49 ILE HG2 H 1.07 0.02 1 453 49 49 ILE HD1 H 0.82 0.02 1 454 49 49 ILE C C 178.8 0.3 1 455 49 49 ILE CA C 64.9 0.3 1 456 49 49 ILE CB C 38.2 0.3 1 457 49 49 ILE CG1 C 29.3 0.3 1 458 49 49 ILE CG2 C 17.5 0.3 1 459 49 49 ILE CD1 C 13.2 0.3 1 460 49 49 ILE N N 120.6 0.3 1 461 50 50 ALA H H 8.05 0.02 1 462 50 50 ALA HA H 4.14 0.02 1 463 50 50 ALA HB H 1.49 0.02 1 464 50 50 ALA C C 180.5 0.3 1 465 50 50 ALA CA C 55.1 0.3 1 466 50 50 ALA CB C 17.9 0.3 1 467 50 50 ALA N N 121.2 0.3 1 468 51 51 ALA H H 8.16 0.02 1 469 51 51 ALA HA H 4.14 0.02 1 470 51 51 ALA HB H 1.57 0.02 1 471 51 51 ALA C C 180.3 0.3 1 472 51 51 ALA CA C 55.3 0.3 1 473 51 51 ALA CB C 18.2 0.3 1 474 51 51 ALA N N 121.5 0.3 1 475 52 52 ASP H H 8.18 0.02 1 476 52 52 ASP HA H 4.78 0.02 1 477 52 52 ASP HB2 H 2.92 0.02 1 478 52 52 ASP C C 177.0 0.3 1 479 52 52 ASP CA C 55.4 0.3 1 480 52 52 ASP CB C 40.6 0.3 1 481 52 52 ASP N N 118.1 0.3 1 482 53 53 TRP H H 8.07 0.02 1 483 53 53 TRP HA H 4.27 0.02 1 484 53 53 TRP HB2 H 3.71 0.02 2 485 53 53 TRP HB3 H 3.61 0.02 2 486 53 53 TRP HD1 H 7.45 0.02 1 487 53 53 TRP HE1 H 9.30 0.02 1 488 53 53 TRP HE3 H 7.50 0.02 1 489 53 53 TRP HZ2 H 7.20 0.02 1 490 53 53 TRP HZ3 H 7.63 0.02 1 491 53 53 TRP HH2 H 6.92 0.02 1 492 53 53 TRP C C 177.5 0.3 1 493 53 53 TRP CA C 62.3 0.3 1 494 53 53 TRP CB C 30.6 0.3 1 495 53 53 TRP CD1 C 124.8 0.3 1 496 53 53 TRP CE3 C 120.7 0.3 1 497 53 53 TRP CZ2 C 116.2 0.3 1 498 53 53 TRP CZ3 C 119.8 0.3 1 499 53 53 TRP CH2 C 121.3 0.3 1 500 53 53 TRP N N 124.8 0.3 1 501 53 53 TRP NE1 N 127.4 0.3 1 502 54 54 GLU H H 8.52 0.02 1 503 54 54 GLU HA H 4.12 0.02 1 504 54 54 GLU HB2 H 2.29 0.02 2 505 54 54 GLU HB3 H 2.22 0.02 2 506 54 54 GLU HG2 H 2.62 0.02 2 507 54 54 GLU HG3 H 2.56 0.02 2 508 54 54 GLU C C 179.2 0.3 1 509 54 54 GLU CA C 59.1 0.3 1 510 54 54 GLU CB C 28.1 0.3 1 511 54 54 GLU CG C 34.4 0.3 1 512 54 54 GLU N N 116.3 0.3 1 513 55 55 LYS H H 8.45 0.02 1 514 55 55 LYS HA H 4.04 0.02 1 515 55 55 LYS HB3 H 2.02 0.02 1 516 55 55 LYS HG2 H 1.41 0.02 1 517 55 55 LYS HD2 H 1.72 0.02 1 518 55 55 LYS HE2 H 2.97 0.02 1 519 55 55 LYS C C 179.0 0.3 1 520 55 55 LYS CA C 59.8 0.3 1 521 55 55 LYS CB C 31.7 0.3 1 522 55 55 LYS CG C 24.9 0.3 1 523 55 55 LYS CD C 29.6 0.3 1 524 55 55 LYS CE C 42.1 0.3 1 525 55 55 LYS N N 121.2 0.3 1 526 56 56 ASN H H 8.31 0.02 1 527 56 56 ASN HA H 4.62 0.02 1 528 56 56 ASN HB2 H 2.83 0.02 2 529 56 56 ASN HB3 H 2.21 0.02 2 530 56 56 ASN HD21 H 7.90 0.02 1 531 56 56 ASN HD22 H 6.84 0.02 1 532 56 56 ASN C C 178.7 0.3 1 533 56 56 ASN CA C 56.6 0.3 1 534 56 56 ASN CB C 39.0 0.3 1 535 56 56 ASN N N 116.9 0.3 1 536 56 56 ASN ND2 N 113.1 0.3 1 537 57 57 ILE H H 8.22 0.02 1 538 57 57 ILE HA H 3.71 0.02 1 539 57 57 ILE HB H 2.11 0.02 1 540 57 57 ILE HG13 H 0.22 0.02 1 541 57 57 ILE HG2 H 0.78 0.02 1 542 57 57 ILE HD1 H 0.78 0.02 1 543 57 57 ILE C C 177.3 0.3 1 544 57 57 ILE CA C 68.0 0.3 1 545 57 57 ILE CB C 37.4 0.3 1 546 57 57 ILE CG1 C 29.8 0.3 1 547 57 57 ILE CG2 C 16.6 0.3 1 548 57 57 ILE CD1 C 13.7 0.3 1 549 57 57 ILE N N 126.5 0.3 1 550 58 58 LEU H H 7.97 0.02 1 551 58 58 LEU HA H 4.06 0.02 1 552 58 58 LEU HB2 H 1.62 0.02 1 553 58 58 LEU HG H 1.84 0.02 1 554 58 58 LEU HD2 H 0.90 0.02 1 555 58 58 LEU C C 180.9 0.3 1 556 58 58 LEU CA C 58.3 0.3 1 557 58 58 LEU CB C 40.9 0.3 1 558 58 58 LEU CG C 25.0 0.3 1 559 58 58 LEU CD2 C 22.6 0.3 1 560 58 58 LEU N N 120.5 0.3 1 561 59 59 ILE H H 8.45 0.02 1 562 59 59 ILE HA H 3.65 0.02 1 563 59 59 ILE HB H 1.95 0.02 1 564 59 59 ILE HG13 H 1.13 0.02 1 565 59 59 ILE HG2 H 1.13 0.02 1 566 59 59 ILE HD1 H 0.98 0.02 1 567 59 59 ILE C C 178.4 0.3 1 568 59 59 ILE CA C 65.6 0.3 1 569 59 59 ILE CB C 38.4 0.3 1 570 59 59 ILE CG1 C 29.9 0.3 1 571 59 59 ILE CG2 C 17.8 0.3 1 572 59 59 ILE CD1 C 17.0 0.3 1 573 59 59 ILE N N 122.3 0.3 1 574 60 60 ALA H H 7.86 0.02 1 575 60 60 ALA HA H 4.62 0.02 1 576 60 60 ALA HB H 1.73 0.02 1 577 60 60 ALA C C 179.0 0.3 1 578 60 60 ALA CA C 55.2 0.3 1 579 60 60 ALA CB C 18.5 0.3 1 580 60 60 ALA N N 127.1 0.3 1 581 61 61 GLU H H 8.57 0.02 1 582 61 61 GLU HA H 3.93 0.02 1 583 61 61 GLU HB3 H 1.99 0.02 1 584 61 61 GLU HG2 H 2.65 0.02 1 585 61 61 GLU C C 178.6 0.3 1 586 61 61 GLU CA C 60.5 0.3 1 587 61 61 GLU CB C 28.6 0.3 1 588 61 61 GLU CG C 37.7 0.3 1 589 61 61 GLU N N 118.7 0.3 1 590 62 62 ARG H H 8.23 0.02 1 591 62 62 ARG HA H 4.17 0.02 1 592 62 62 ARG HD2 H 3.24 0.02 1 593 62 62 ARG HE H 7.27 0.02 1 594 62 62 ARG C C 178.1 0.3 1 595 62 62 ARG CA C 59.7 0.3 1 596 62 62 ARG CB C 29.5 0.3 1 597 62 62 ARG CG C 27.2 0.3 1 598 62 62 ARG CD C 44.1 0.3 1 599 62 62 ARG N N 119.0 0.3 1 600 62 62 ARG NE N 84.9 0.3 1 601 63 63 CYS H H 8.16 0.02 1 602 63 63 CYS HA H 4.76 0.02 1 603 63 63 CYS HB2 H 3.32 0.02 1 604 63 63 CYS C C 176.8 0.3 1 605 63 63 CYS CA C 59.4 0.3 1 606 63 63 CYS CB C 38.8 0.3 1 607 63 63 CYS N N 118.9 0.3 1 608 64 64 ILE H H 7.78 0.02 1 609 64 64 ILE HA H 4.03 0.02 1 610 64 64 ILE HB H 2.06 0.02 1 611 64 64 ILE HG13 H 0.95 0.02 1 612 64 64 ILE HG2 H 0.95 0.02 1 613 64 64 ILE HD1 H 0.70 0.02 1 614 64 64 ILE C C 181.0 0.3 1 615 64 64 ILE CA C 61.2 0.3 1 616 64 64 ILE CB C 33.7 0.3 1 617 64 64 ILE CG1 C 20.2 0.3 1 618 64 64 ILE CG2 C 17.5 0.3 1 619 64 64 ILE CD1 C 18.6 0.3 1 620 64 64 ILE N N 118.6 0.3 1 621 65 65 ASN H H 9.14 0.02 1 622 65 65 ASN HA H 4.61 0.02 1 623 65 65 ASN HB2 H 2.96 0.02 2 624 65 65 ASN HB3 H 2.86 0.02 2 625 65 65 ASN HD21 H 7.57 0.02 1 626 65 65 ASN HD22 H 6.80 0.02 1 627 65 65 ASN C C 177.8 0.3 1 628 65 65 ASN CA C 56.4 0.3 1 629 65 65 ASN CB C 38.3 0.3 1 630 65 65 ASN N N 121.3 0.3 1 631 65 65 ASN ND2 N 109.9 0.3 1 632 66 66 GLN H H 9.31 0.02 1 633 66 66 GLN HA H 4.10 0.02 1 634 66 66 GLN HB2 H 2.00 0.02 2 635 66 66 GLN HB3 H 1.97 0.02 2 636 66 66 GLN HG2 H 2.45 0.02 1 637 66 66 GLN HE21 H 7.52 0.02 1 638 66 66 GLN HE22 H 6.86 0.02 1 639 66 66 GLN C C 178.7 0.3 1 640 66 66 GLN CA C 58.6 0.3 1 641 66 66 GLN CB C 29.3 0.3 1 642 66 66 GLN CG C 34.2 0.3 1 643 66 66 GLN N N 117.3 0.3 1 644 66 66 GLN NE2 N 111.7 0.3 1 645 67 67 HIS H H 8.62 0.02 1 646 67 67 HIS HA H 4.45 0.02 1 647 67 67 HIS HB3 H 3.30 0.02 1 648 67 67 HIS HD2 H 7.50 0.02 1 649 67 67 HIS HE1 H 7.35 0.02 1 650 67 67 HIS C C 174.0 0.3 1 651 67 67 HIS CA C 55.8 0.3 1 652 67 67 HIS CB C 31.7 0.3 1 653 67 67 HIS CD2 C 120.2 0.3 1 654 67 67 HIS CE1 C 132.8 0.3 1 655 67 67 HIS N N 111.7 0.3 1 656 68 68 PHE H H 7.95 0.02 1 657 68 68 PHE HA H 4.45 0.02 1 658 68 68 PHE HB3 H 3.13 0.02 1 659 68 68 PHE C C 171.2 0.3 1 660 68 68 PHE CA C 57.1 0.3 1 661 68 68 PHE CB C 39.5 0.3 1 662 68 68 PHE N N 117.2 0.3 1 663 69 69 ARG H H 8.57 0.02 1 664 69 69 ARG HA H 3.98 0.02 1 665 69 69 ARG HE H 5.97 0.02 1 666 69 69 ARG C C 178.0 0.3 1 667 69 69 ARG CA C 58.2 0.3 1 668 69 69 ARG CB C 27.4 0.3 1 669 69 69 ARG CG C 26.8 0.3 1 670 69 69 ARG CD C 44.3 0.3 1 671 69 69 ARG N N 109.8 0.3 1 672 69 69 ARG NE N 82.3 0.3 1 673 70 70 GLY H H 8.32 0.02 1 674 70 70 GLY HA2 H 4.04 0.02 2 675 70 70 GLY HA3 H 3.81 0.02 2 676 70 70 GLY C C 175.3 0.3 1 677 70 70 GLY CA C 49.4 0.3 1 678 70 70 GLY N N 102.2 0.3 1 679 71 71 LYS H H 9.16 0.02 1 680 71 71 LYS HA H 3.89 0.02 1 681 71 71 LYS HB3 H 1.67 0.02 1 682 71 71 LYS HG2 H 1.29 0.02 1 683 71 71 LYS HD2 H 1.43 0.02 1 684 71 71 LYS HE2 H 2.95 0.02 1 685 71 71 LYS C C 177.3 0.3 1 686 71 71 LYS CA C 58.7 0.3 1 687 71 71 LYS CB C 31.9 0.3 1 688 71 71 LYS CG C 25.0 0.3 1 689 71 71 LYS CD C 29.3 0.3 1 690 71 71 LYS CE C 42.0 0.3 1 691 71 71 LYS N N 118.2 0.3 1 692 72 72 ASP H H 8.01 0.02 1 693 72 72 ASP HA H 4.77 0.02 1 694 72 72 ASP HB2 H 3.37 0.02 2 695 72 72 ASP HB3 H 3.15 0.02 2 696 72 72 ASP C C 175.1 0.3 1 697 72 72 ASP CA C 54.6 0.3 1 698 72 72 ASP CB C 42.3 0.3 1 699 72 72 ASP N N 116.3 0.3 1 700 73 73 MET H H 7.25 0.02 1 701 73 73 MET HA H 3.51 0.02 1 702 73 73 MET HB2 H 1.77 0.02 1 703 73 73 MET HG2 H 1.30 0.02 2 704 73 73 MET HG3 H 1.02 0.02 2 705 73 73 MET C C 173.7 0.3 1 706 73 73 MET CA C 53.9 0.3 1 707 73 73 MET CB C 33.6 0.3 1 708 73 73 MET CG C 33.4 0.3 1 709 73 73 MET N N 121.0 0.3 1 710 74 74 PRO HA H 4.44 0.02 1 711 74 74 PRO HB3 H 2.41 0.02 1 712 74 74 PRO HG2 H 2.05 0.02 1 713 74 74 PRO HD2 H 3.03 0.02 2 714 74 74 PRO HD3 H 2.50 0.02 2 715 74 74 PRO C C 175.4 0.3 1 716 74 74 PRO CA C 62.1 0.3 1 717 74 74 PRO CB C 32.0 0.3 1 718 74 74 PRO CG C 27.3 0.3 1 719 74 74 PRO CD C 49.8 0.3 1 720 75 75 ASP H H 8.60 0.02 1 721 75 75 ASP HA H 4.14 0.02 1 722 75 75 ASP HB2 H 2.67 0.02 1 723 75 75 ASP C C 179.3 0.3 1 724 75 75 ASP CA C 58.3 0.3 1 725 75 75 ASP CB C 40.8 0.3 1 726 75 75 ASP N N 120.1 0.3 1 727 76 76 ASN H H 9.54 0.02 1 728 76 76 ASN HA H 4.39 0.02 1 729 76 76 ASN HB2 H 3.29 0.02 1 730 76 76 ASN HD21 H 7.43 0.02 1 731 76 76 ASN HD22 H 6.28 0.02 1 732 76 76 ASN C C 177.0 0.3 1 733 76 76 ASN CA C 57.1 0.3 1 734 76 76 ASN CB C 36.2 0.3 1 735 76 76 ASN N N 123.6 0.3 1 736 76 76 ASN ND2 N 106.2 0.3 1 737 77 77 ALA H H 7.79 0.02 1 738 77 77 ALA HA H 4.42 0.02 1 739 77 77 ALA HB H 1.28 0.02 1 740 77 77 ALA C C 177.7 0.3 1 741 77 77 ALA CA C 55.4 0.3 1 742 77 77 ALA CB C 17.7 0.3 1 743 77 77 ALA N N 124.9 0.3 1 744 78 78 PHE H H 8.69 0.02 1 745 78 78 PHE HA H 4.07 0.02 1 746 78 78 PHE HB3 H 2.92 0.02 1 747 78 78 PHE HD1 H 6.84 0.02 1 748 78 78 PHE HE1 H 7.05 0.02 1 749 78 78 PHE HZ H 7.10 0.02 1 750 78 78 PHE C C 178.3 0.3 1 751 78 78 PHE CA C 62.6 0.3 1 752 78 78 PHE CB C 39.6 0.3 1 753 78 78 PHE CD2 C 131.0 0.3 1 754 78 78 PHE CE1 C 131.4 0.3 1 755 78 78 PHE CZ C 130.3 0.3 1 756 78 78 PHE N N 118.2 0.3 1 757 80 80 ALA H H 8.26 0.02 1 758 80 80 ALA HA H 3.78 0.02 1 759 80 80 ALA HB H 1.35 0.02 1 760 80 80 ALA C C 178.4 0.3 1 761 80 80 ALA CA C 55.4 0.3 1 762 80 80 ALA CB C 20.5 0.3 1 763 80 80 ALA N N 124.4 0.3 1 764 81 81 MET H H 8.37 0.02 1 765 81 81 MET HA H 4.18 0.02 1 766 81 81 MET C C 178.4 0.3 1 767 81 81 MET CA C 55.5 0.3 1 768 81 81 MET CB C 28.5 0.3 1 769 81 81 MET CG C 32.8 0.3 1 770 81 81 MET N N 114.6 0.3 1 771 82 82 THR H H 8.17 0.02 1 772 82 82 THR HG2 H 0.99 0.02 1 773 82 82 THR C C 176.2 0.3 1 774 82 82 THR CA C 68.2 0.3 1 775 82 82 THR CB C 70.5 0.3 1 776 82 82 THR CG2 C 21.7 0.3 1 777 82 82 THR N N 118.8 0.3 1 778 83 83 SER H H 7.19 0.02 1 779 83 83 SER HA H 3.99 0.02 1 780 83 83 SER HB2 H 3.89 0.02 1 781 83 83 SER C C 176.3 0.3 1 782 83 83 SER CA C 61.7 0.3 1 783 83 83 SER CB C 67.6 0.3 1 784 83 83 SER N N 114.7 0.3 1 785 84 84 ALA H H 7.73 0.02 1 786 84 84 ALA HA H 4.12 0.02 1 787 84 84 ALA HB H 1.29 0.02 1 788 84 84 ALA C C 179.7 0.3 1 789 84 84 ALA CA C 55.7 0.3 1 790 84 84 ALA CB C 17.8 0.3 1 791 84 84 ALA N N 122.0 0.3 1 792 85 85 ALA H H 8.77 0.02 1 793 85 85 ALA HA H 3.60 0.02 1 794 85 85 ALA HB H 1.23 0.02 1 795 85 85 ALA C C 181.2 0.3 1 796 85 85 ALA CA C 54.8 0.3 1 797 85 85 ALA CB C 18.0 0.3 1 798 85 85 ALA N N 120.6 0.3 1 799 86 86 PHE H H 9.14 0.02 1 800 86 86 PHE HA H 4.88 0.02 1 801 86 86 PHE HB3 H 2.73 0.02 1 802 86 86 PHE HD1 H 6.61 0.02 1 803 86 86 PHE HE1 H 6.78 0.02 1 804 86 86 PHE C C 176.2 0.3 1 805 86 86 PHE CA C 60.9 0.3 1 806 86 86 PHE CB C 39.4 0.3 1 807 86 86 PHE CD2 C 130.8 0.3 1 808 86 86 PHE CE1 C 132.2 0.3 1 809 86 86 PHE N N 122.6 0.3 1 810 87 87 ASN H H 8.02 0.02 1 811 87 87 ASN HA H 4.37 0.02 1 812 87 87 ASN HB2 H 3.09 0.02 1 813 87 87 ASN HD21 H 7.16 0.02 1 814 87 87 ASN HD22 H 7.07 0.02 1 815 87 87 ASN C C 175.7 0.3 1 816 87 87 ASN CA C 55.7 0.3 1 817 87 87 ASN CB C 41.4 0.3 1 818 87 87 ASN N N 115.6 0.3 1 819 87 87 ASN ND2 N 114.1 0.3 1 820 88 88 MET H H 8.75 0.02 1 821 88 88 MET HA H 4.83 0.02 1 822 88 88 MET HB2 H 2.10 0.02 1 823 88 88 MET HG2 H 2.47 0.02 1 824 88 88 MET C C 178.5 0.3 1 825 88 88 MET CA C 54.4 0.3 1 826 88 88 MET CB C 32.0 0.3 1 827 88 88 MET N N 110.1 0.3 1 828 89 89 GLY H H 7.84 0.02 1 829 89 89 GLY HA2 H 3.14 0.02 1 830 89 89 GLY C C 172.6 0.3 1 831 89 89 GLY CA C 44.1 0.3 1 832 89 89 GLY N N 111.2 0.3 1 833 90 90 CYS H H 8.57 0.02 1 834 90 90 CYS HA H 4.17 0.02 1 835 90 90 CYS HB2 H 3.33 0.02 2 836 90 90 CYS HB3 H 3.11 0.02 2 837 90 90 CYS C C 177.3 0.3 1 838 90 90 CYS CA C 59.0 0.3 1 839 90 90 CYS CB C 40.8 0.3 1 840 90 90 CYS N N 121.3 0.3 1 841 91 91 ASN H H 8.87 0.02 1 842 91 91 ASN HA H 4.21 0.02 1 843 91 91 ASN HB2 H 2.81 0.02 2 844 91 91 ASN HB3 H 2.70 0.02 2 845 91 91 ASN HD21 H 7.67 0.02 1 846 91 91 ASN HD22 H 6.85 0.02 1 847 91 91 ASN C C 178.1 0.3 1 848 91 91 ASN CA C 56.7 0.3 1 849 91 91 ASN CB C 37.5 0.3 1 850 91 91 ASN N N 115.4 0.3 1 851 91 91 ASN ND2 N 113.3 0.3 1 852 92 92 SER H H 7.89 0.02 1 853 92 92 SER HA H 4.55 0.02 1 854 92 92 SER HB2 H 3.95 0.02 2 855 92 92 SER HB3 H 3.82 0.02 2 856 92 92 SER C C 173.4 0.3 1 857 92 92 SER CA C 60.6 0.3 1 858 92 92 SER CB C 63.0 0.3 1 859 92 92 SER N N 114.4 0.3 1 860 93 93 LEU H H 7.02 0.02 1 861 93 93 LEU HA H 4.09 0.02 1 862 93 93 LEU HB2 H 1.32 0.02 1 863 93 93 LEU HG H 1.44 0.02 1 864 93 93 LEU HD1 H -0.17 0.02 1 865 93 93 LEU HD2 H 0.15 0.02 1 866 93 93 LEU C C 178.6 0.3 1 867 93 93 LEU CA C 55.4 0.3 1 868 93 93 LEU CB C 43.3 0.3 1 869 93 93 LEU CG C 26.0 0.3 1 870 93 93 LEU CD1 C 21.9 0.3 1 871 93 93 LEU CD2 C 24.4 0.3 1 872 93 93 LEU N N 115.8 0.3 1 873 94 94 ARG H H 7.85 0.02 1 874 94 94 ARG HA H 4.03 0.02 1 875 94 94 ARG HB3 H 1.73 0.02 1 876 94 94 ARG HG2 H 1.65 0.02 1 877 94 94 ARG HD2 H 3.67 0.02 1 878 94 94 ARG HE H 7.26 0.02 1 879 94 94 ARG C C 177.7 0.3 1 880 94 94 ARG CA C 59.4 0.3 1 881 94 94 ARG CB C 33.6 0.3 1 882 94 94 ARG CG C 27.3 0.3 1 883 94 94 ARG CD C 44.3 0.3 1 884 94 94 ARG N N 118.6 0.3 1 885 94 94 ARG NE N 83.0 0.3 1 886 95 95 THR H H 8.07 0.02 1 887 95 95 THR HA H 5.43 0.02 1 888 95 95 THR HB H 3.86 0.02 1 889 95 95 THR HG2 H 0.89 0.02 1 890 95 95 THR C C 171.9 0.3 1 891 95 95 THR CA C 60.1 0.3 1 892 95 95 THR CB C 74.8 0.3 1 893 95 95 THR CG2 C 21.4 0.3 1 894 95 95 THR N N 109.9 0.3 1 895 96 96 TYR H H 9.11 0.02 1 896 96 96 TYR HA H 5.02 0.02 1 897 96 96 TYR HB2 H 3.10 0.02 2 898 96 96 TYR HB3 H 3.04 0.02 2 899 96 96 TYR HD1 H 6.92 0.02 1 900 96 96 TYR HE1 H 6.76 0.02 1 901 96 96 TYR C C 172.7 0.3 1 902 96 96 TYR CA C 55.4 0.3 1 903 96 96 TYR CB C 41.2 0.3 1 904 96 96 TYR CD2 C 133.6 0.3 1 905 96 96 TYR CE1 C 118.0 0.3 1 906 96 96 TYR N N 115.8 0.3 1 907 97 97 TYR H H 9.22 0.02 1 908 97 97 TYR HA H 4.10 0.02 1 909 97 97 TYR HB2 H 2.95 0.02 2 910 97 97 TYR HB3 H 2.76 0.02 2 911 97 97 TYR HD1 H 6.78 0.02 1 912 97 97 TYR HE1 H 6.56 0.02 1 913 97 97 TYR C C 173.8 0.3 1 914 97 97 TYR CA C 59.1 0.3 1 915 97 97 TYR CB C 38.4 0.3 1 916 97 97 TYR CD2 C 132.6 0.3 1 917 97 97 TYR CE1 C 117.8 0.3 1 918 97 97 TYR N N 121.7 0.3 1 919 98 98 SER H H 7.59 0.02 1 920 98 98 SER HA H 4.61 0.02 1 921 98 98 SER HB2 H 3.63 0.02 2 922 98 98 SER HB3 H 3.56 0.02 2 923 98 98 SER C C 174.4 0.3 1 924 98 98 SER CA C 54.7 0.3 1 925 98 98 SER CB C 63.4 0.3 1 926 98 98 SER N N 123.3 0.3 1 927 99 99 LYS H H 8.86 0.02 1 928 99 99 LYS HA H 3.95 0.02 1 929 99 99 LYS HB3 H 1.92 0.02 1 930 99 99 LYS HD2 H 1.60 0.02 1 931 99 99 LYS HE2 H 3.08 0.02 1 932 99 99 LYS C C 178.6 0.3 1 933 99 99 LYS CA C 59.0 0.3 1 934 99 99 LYS CB C 32.1 0.3 1 935 99 99 LYS CG C 25.1 0.3 1 936 99 99 LYS CD C 29.5 0.3 1 937 99 99 LYS CE C 42.1 0.3 1 938 99 99 LYS N N 131.1 0.3 1 939 100 100 ALA H H 8.29 0.02 1 940 100 100 ALA HA H 4.09 0.02 1 941 100 100 ALA HB H 1.36 0.02 1 942 100 100 ALA C C 179.3 0.3 1 943 100 100 ALA CA C 54.7 0.3 1 944 100 100 ALA CB C 18.7 0.3 1 945 100 100 ALA N N 120.4 0.3 1 946 101 101 ARG H H 7.47 0.02 1 947 101 101 ARG HA H 4.29 0.02 1 948 101 101 ARG HB2 H 1.86 0.02 2 949 101 101 ARG HB3 H 1.35 0.02 2 950 101 101 ARG HG2 H 1.57 0.02 1 951 101 101 ARG HD2 H 3.07 0.02 1 952 101 101 ARG HE H 7.83 0.02 1 953 101 101 ARG C C 176.7 0.3 1 954 101 101 ARG CA C 55.1 0.3 1 955 101 101 ARG CB C 31.2 0.3 1 956 101 101 ARG CG C 27.1 0.3 1 957 101 101 ARG CD C 42.9 0.3 1 958 101 101 ARG N N 112.9 0.3 1 959 101 101 ARG NE N 85.1 0.3 1 960 102 102 GLY H H 8.18 0.02 1 961 102 102 GLY HA2 H 3.84 0.02 1 962 102 102 GLY C C 173.8 0.3 1 963 102 102 GLY CA C 46.5 0.3 1 964 102 102 GLY N N 110.5 0.3 1 965 103 103 MET H H 7.03 0.02 1 966 103 103 MET HA H 4.68 0.02 1 967 103 103 MET HB2 H 2.06 0.02 1 968 103 103 MET C C 173.6 0.3 1 969 103 103 MET CA C 54.0 0.3 1 970 103 103 MET CB C 35.3 0.3 1 971 103 103 MET CG C 29.2 0.3 1 972 103 103 MET N N 111.8 0.3 1 973 104 104 ARG H H 8.63 0.02 1 974 104 104 ARG HA H 4.77 0.02 1 975 104 104 ARG HB3 H 1.71 0.02 1 976 104 104 ARG HG2 H 1.46 0.02 1 977 104 104 ARG HE H 7.44 0.02 1 978 104 104 ARG C C 175.8 0.3 1 979 104 104 ARG CA C 56.0 0.3 1 980 104 104 ARG CB C 30.2 0.3 1 981 104 104 ARG CG C 25.7 0.3 1 982 104 104 ARG CD C 42.6 0.3 1 983 104 104 ARG N N 119.8 0.3 1 984 104 104 ARG NE N 82.6 0.3 1 985 105 105 VAL H H 8.73 0.02 1 986 105 105 VAL HA H 4.35 0.02 1 987 105 105 VAL HB H 1.75 0.02 1 988 105 105 VAL HG2 H 0.77 0.02 1 989 105 105 VAL C C 174.0 0.3 1 990 105 105 VAL CA C 59.3 0.3 1 991 105 105 VAL CB C 35.3 0.3 1 992 105 105 VAL CG1 C 21.8 0.3 1 993 105 105 VAL CG2 C 21.5 0.3 1 994 105 105 VAL N N 119.0 0.3 1 995 106 106 GLU H H 8.29 0.02 1 996 106 106 GLU HA H 4.26 0.02 1 997 106 106 GLU HB3 H 1.97 0.02 1 998 106 106 GLU HG2 H 2.97 0.02 1 999 106 106 GLU C C 176.7 0.3 1 1000 106 106 GLU CA C 56.4 0.3 1 1001 106 106 GLU CB C 30.7 0.3 1 1002 106 106 GLU CG C 34.8 0.3 1 1003 106 106 GLU N N 122.7 0.3 1 1004 107 107 THR H H 7.77 0.02 1 1005 107 107 THR HA H 4.59 0.02 1 1006 107 107 THR HG2 H 1.44 0.02 1 1007 107 107 THR C C 176.1 0.3 1 1008 107 107 THR CA C 60.7 0.3 1 1009 107 107 THR CB C 71.0 0.3 1 1010 107 107 THR CG2 C 22.4 0.3 1 1011 107 107 THR N N 115.4 0.3 1 1012 108 108 SER H H 8.88 0.02 1 1013 108 108 SER HA H 4.64 0.02 1 1014 108 108 SER HB2 H 4.05 0.02 1 1015 108 108 SER C C 176.4 0.3 1 1016 108 108 SER CA C 61.9 0.3 1 1017 108 108 SER CB C 67.8 0.3 1 1018 108 108 SER N N 118.5 0.3 1 1019 109 109 ILE H H 8.77 0.02 1 1020 109 109 ILE HA H 4.16 0.02 1 1021 109 109 ILE HD1 H 0.05 0.02 1 1022 109 109 ILE C C 175.4 0.3 1 1023 109 109 ILE CA C 67.4 0.3 1 1024 109 109 ILE CB C 38.7 0.3 1 1025 109 109 ILE CG1 C 32.1 0.3 1 1026 109 109 ILE CG2 C 18.1 0.3 1 1027 109 109 ILE CD1 C 9.1 0.3 1 1028 109 109 ILE N N 119.5 0.3 1 1029 110 110 HIS H H 7.88 0.02 1 1030 110 110 HIS HA H 4.09 0.02 1 1031 110 110 HIS HB3 H 3.35 0.02 1 1032 110 110 HIS C C 175.9 0.3 1 1033 110 110 HIS CA C 61.1 0.3 1 1034 110 110 HIS CB C 29.3 0.3 1 1035 110 110 HIS N N 121.1 0.3 1 1036 111 111 LYS H H 7.94 0.02 1 1037 111 111 LYS HA H 3.79 0.02 1 1038 111 111 LYS HB3 H 1.46 0.02 1 1039 111 111 LYS HG2 H 1.28 0.02 1 1040 111 111 LYS HD2 H 1.63 0.02 1 1041 111 111 LYS HE2 H 2.96 0.02 1 1042 111 111 LYS C C 180.2 0.3 1 1043 111 111 LYS CA C 59.8 0.3 1 1044 111 111 LYS CB C 31.9 0.3 1 1045 111 111 LYS CG C 24.8 0.3 1 1046 111 111 LYS CD C 29.3 0.3 1 1047 111 111 LYS CE C 41.9 0.3 1 1048 111 111 LYS N N 121.9 0.3 1 1049 112 112 TRP H H 8.34 0.02 1 1050 112 112 TRP HA H 4.69 0.02 1 1051 112 112 TRP HB3 H 3.62 0.02 1 1052 112 112 TRP HD1 H 7.30 0.02 1 1053 112 112 TRP HE1 H 10.17 0.02 1 1054 112 112 TRP HE3 H 7.50 0.02 1 1055 112 112 TRP HZ2 H 7.63 0.02 1 1056 112 112 TRP HZ3 H 7.46 0.02 1 1057 112 112 TRP HH2 H 7.19 0.02 1 1058 112 112 TRP C C 178.6 0.3 1 1059 112 112 TRP CA C 59.3 0.3 1 1060 112 112 TRP CB C 29.7 0.3 1 1061 112 112 TRP CD1 C 125.5 0.3 1 1062 112 112 TRP CE3 C 120.3 0.3 1 1063 112 112 TRP CZ2 C 116.3 0.3 1 1064 112 112 TRP CZ3 C 119.9 0.3 1 1065 112 112 TRP CH2 C 122.3 0.3 1 1066 112 112 TRP N N 116.8 0.3 1 1067 112 112 TRP NE1 N 128.7 0.3 1 1068 113 113 ALA H H 8.08 0.02 1 1069 113 113 ALA HA H 4.40 0.02 1 1070 113 113 ALA HB H 1.91 0.02 1 1071 113 113 ALA C C 180.3 0.3 1 1072 113 113 ALA CA C 55.4 0.3 1 1073 113 113 ALA CB C 19.9 0.3 1 1074 113 113 ALA N N 122.1 0.3 1 1075 114 114 GLN H H 7.89 0.02 1 1076 114 114 GLN HA H 3.57 0.02 1 1077 114 114 GLN HB3 H 1.75 0.02 1 1078 114 114 GLN HG2 H 2.20 0.02 1 1079 114 114 GLN HE21 H 6.96 0.02 1 1080 114 114 GLN HE22 H 6.27 0.02 1 1081 114 114 GLN C C 178.7 0.3 1 1082 114 114 GLN CA C 57.9 0.3 1 1083 114 114 GLN CB C 27.4 0.3 1 1084 114 114 GLN CG C 33.6 0.3 1 1085 114 114 GLN N N 113.4 0.3 1 1086 114 114 GLN NE2 N 113.4 0.3 1 1087 115 115 LYS H H 7.24 0.02 1 1088 115 115 LYS HA H 4.21 0.02 1 1089 115 115 LYS HB3 H 1.77 0.02 1 1090 115 115 LYS HG2 H 1.49 0.02 1 1091 115 115 LYS HD2 H 1.65 0.02 1 1092 115 115 LYS HE2 H 2.81 0.02 1 1093 115 115 LYS C C 176.4 0.3 1 1094 115 115 LYS CA C 56.2 0.3 1 1095 115 115 LYS CB C 33.8 0.3 1 1096 115 115 LYS CG C 25.5 0.3 1 1097 115 115 LYS CD C 29.4 0.3 1 1098 115 115 LYS CE C 41.7 0.3 1 1099 115 115 LYS N N 117.1 0.3 1 1100 116 116 GLY H H 7.73 0.02 1 1101 116 116 GLY HA2 H 3.17 0.02 1 1102 116 116 GLY C C 173.6 0.3 1 1103 116 116 GLY CA C 44.4 0.3 1 1104 116 116 GLY N N 110.2 0.3 1 1105 117 117 GLU H H 7.33 0.02 1 1106 117 117 GLU HA H 4.19 0.02 1 1107 117 117 GLU HB3 H 2.15 0.02 1 1108 117 117 GLU HG2 H 2.42 0.02 1 1109 117 117 GLU C C 176.0 0.3 1 1110 117 117 GLU CA C 53.7 0.3 1 1111 117 117 GLU CB C 28.0 0.3 1 1112 117 117 GLU CG C 34.3 0.3 1 1113 117 117 GLU N N 120.0 0.3 1 1114 118 118 TRP H H 6.68 0.02 1 1115 118 118 TRP HA H 4.73 0.02 1 1116 118 118 TRP HB3 H 3.22 0.02 1 1117 118 118 TRP HD1 H 7.37 0.02 1 1118 118 118 TRP HE1 H 10.41 0.02 1 1119 118 118 TRP HZ2 H 7.35 0.02 1 1120 118 118 TRP HH2 H 7.09 0.02 1 1121 118 118 TRP C C 177.1 0.3 1 1122 118 118 TRP CA C 58.1 0.3 1 1123 118 118 TRP CB C 31.3 0.3 1 1124 118 118 TRP CD1 C 124.8 0.3 1 1125 118 118 TRP CZ2 C 115.0 0.3 1 1126 118 118 TRP CH2 C 122.1 0.3 1 1127 118 118 TRP N N 119.8 0.3 1 1128 118 118 TRP NE1 N 130.1 0.3 1 1129 119 119 VAL H H 8.43 0.02 1 1130 119 119 VAL HA H 3.32 0.02 1 1131 119 119 VAL HB H 1.94 0.02 1 1132 119 119 VAL HG1 H 1.00 0.02 1 1133 119 119 VAL HG2 H 0.75 0.02 1 1134 119 119 VAL C C 177.0 0.3 1 1135 119 119 VAL CA C 67.2 0.3 1 1136 119 119 VAL CB C 31.3 0.3 1 1137 119 119 VAL CG1 C 24.2 0.3 1 1138 119 119 VAL CG2 C 20.2 0.3 1 1139 119 119 VAL N N 117.4 0.3 1 1140 120 120 ASN H H 7.52 0.02 1 1141 120 120 ASN HA H 4.09 0.02 1 1142 120 120 ASN HB2 H 3.58 0.02 1 1143 120 120 ASN HD22 H 6.45 0.02 1 1144 120 120 ASN C C 177.2 0.3 1 1145 120 120 ASN CA C 55.9 0.3 1 1146 120 120 ASN CB C 35.6 0.3 1 1147 120 120 ASN N N 117.2 0.3 1 1148 120 120 ASN ND2 N 108.2 0.3 1 1149 121 121 MET H H 8.14 0.02 1 1150 121 121 MET HA H 4.11 0.02 1 1151 121 121 MET HB2 H 2.34 0.02 1 1152 121 121 MET HG2 H 3.09 0.02 1 1153 121 121 MET C C 177.9 0.3 1 1154 121 121 MET CA C 60.4 0.3 1 1155 121 121 MET CB C 34.5 0.3 1 1156 121 121 MET CG C 31.0 0.3 1 1157 121 121 MET N N 118.7 0.3 1 1158 122 122 CYS H H 9.25 0.02 1 1159 122 122 CYS HA H 4.38 0.02 1 1160 122 122 CYS HB2 H 2.78 0.02 1 1161 122 122 CYS C C 177.9 0.3 1 1162 122 122 CYS CA C 55.9 0.3 1 1163 122 122 CYS CB C 36.0 0.3 1 1164 122 122 CYS N N 117.0 0.3 1 1165 123 123 ASN H H 8.17 0.02 1 1166 123 123 ASN HA H 4.55 0.02 1 1167 123 123 ASN HB2 H 2.73 0.02 1 1168 123 123 ASN HD21 H 7.48 0.02 1 1169 123 123 ASN HD22 H 6.75 0.02 1 1170 123 123 ASN C C 176.1 0.3 1 1171 123 123 ASN CA C 54.6 0.3 1 1172 123 123 ASN CB C 37.9 0.3 1 1173 123 123 ASN N N 114.7 0.3 1 1174 123 123 ASN ND2 N 112.4 0.3 1 1175 124 124 HIS H H 8.20 0.02 1 1176 124 124 HIS HA H 4.48 0.02 1 1177 124 124 HIS HB3 H 3.12 0.02 1 1178 124 124 HIS C C 174.9 0.3 1 1179 124 124 HIS CA C 57.1 0.3 1 1180 124 124 HIS CB C 29.2 0.3 1 1181 124 124 HIS N N 117.0 0.3 1 1182 125 125 LEU H H 8.03 0.02 1 1183 125 125 LEU HA H 4.49 0.02 1 1184 125 125 LEU HB2 H 1.52 0.02 1 1185 125 125 LEU C C 175.5 0.3 1 1186 125 125 LEU CA C 61.0 0.3 1 1187 125 125 LEU CB C 40.2 0.3 1 1188 125 125 LEU N N 125.9 0.3 1 1189 126 126 PRO HA H 4.16 0.02 1 1190 126 126 PRO HB3 H 2.44 0.02 1 1191 126 126 PRO HG2 H 2.33 0.02 1 1192 126 126 PRO HD2 H 3.86 0.02 1 1193 126 126 PRO C C 174.3 0.3 1 1194 126 126 PRO CA C 64.1 0.3 1 1195 126 126 PRO CB C 30.6 0.3 1 1196 126 126 PRO CG C 28.9 0.3 1 1197 126 126 PRO CD C 50.9 0.3 1 1198 127 127 ASP H H 7.63 0.02 1 1199 127 127 ASP HA H 4.27 0.02 1 1200 127 127 ASP HB2 H 2.56 0.02 1 1201 127 127 ASP C C 178.1 0.3 1 1202 127 127 ASP CA C 55.5 0.3 1 1203 127 127 ASP CB C 38.9 0.3 1 1204 127 127 ASP N N 117.6 0.3 1 1205 128 128 PHE H H 7.61 0.02 1 1206 128 128 PHE HA H 4.44 0.02 1 1207 128 128 PHE HB3 H 3.11 0.02 1 1208 128 128 PHE HD1 H 6.60 0.02 1 1209 128 128 PHE C C 174.8 0.3 1 1210 128 128 PHE CA C 58.3 0.3 1 1211 128 128 PHE CB C 38.2 0.3 1 1212 128 128 PHE CD2 C 128.8 0.3 1 1213 128 128 PHE N N 119.6 0.3 1 1214 129 129 VAL H H 6.96 0.02 1 1215 129 129 VAL HA H 4.55 0.02 1 1216 129 129 VAL HB H 2.46 0.02 1 1217 129 129 VAL HG2 H 0.79 0.02 1 1218 129 129 VAL C C 173.5 0.3 1 1219 129 129 VAL CA C 60.0 0.3 1 1220 129 129 VAL CB C 32.3 0.3 1 1221 129 129 VAL CG1 C 22.6 0.3 1 1222 129 129 VAL CG2 C 17.3 0.3 1 1223 129 129 VAL N N 109.9 0.3 1 1224 130 130 ASN H H 8.04 0.02 1 1225 130 130 ASN HA H 5.31 0.02 1 1226 130 130 ASN HB2 H 2.79 0.02 1 1227 130 130 ASN HD21 H 7.61 0.02 1 1228 130 130 ASN HD22 H 6.95 0.02 1 1229 130 130 ASN C C 176.0 0.3 1 1230 130 130 ASN CA C 52.1 0.3 1 1231 130 130 ASN CB C 40.6 0.3 1 1232 130 130 ASN N N 118.5 0.3 1 1233 130 130 ASN ND2 N 113.3 0.3 1 1234 131 131 SER H H 8.80 0.02 1 1235 131 131 SER HA H 4.66 0.02 1 1236 131 131 SER HB2 H 3.77 0.02 2 1237 131 131 SER HB3 H 3.71 0.02 2 1238 131 131 SER C C 175.7 0.3 1 1239 131 131 SER CA C 56.9 0.3 1 1240 131 131 SER CB C 64.4 0.3 1 1241 131 131 SER N N 114.3 0.3 1 1242 132 132 ASN H H 9.57 0.02 1 1243 132 132 ASN HA H 4.45 0.02 1 1244 132 132 ASN HB2 H 3.11 0.02 2 1245 132 132 ASN HB3 H 2.77 0.02 2 1246 132 132 ASN HD21 H 7.10 0.02 1 1247 132 132 ASN HD22 H 6.94 0.02 1 1248 132 132 ASN C C 175.3 0.3 1 1249 132 132 ASN CA C 54.3 0.3 1 1250 132 132 ASN CB C 37.9 0.3 1 1251 132 132 ASN N N 127.7 0.3 1 1252 132 132 ASN ND2 N 111.3 0.3 1 1253 133 133 GLY H H 8.65 0.02 1 1254 133 133 GLY HA2 H 4.22 0.02 2 1255 133 133 GLY HA3 H 3.65 0.02 2 1256 133 133 GLY C C 173.6 0.3 1 1257 133 133 GLY CA C 45.3 0.3 1 1258 133 133 GLY N N 102.8 0.3 1 1259 134 134 VAL H H 7.65 0.02 1 1260 134 134 VAL HA H 4.65 0.02 1 1261 134 134 VAL HB H 2.18 0.02 1 1262 134 134 VAL HG2 H 0.99 0.02 1 1263 134 134 VAL C C 173.4 0.3 1 1264 134 134 VAL CA C 59.0 0.3 1 1265 134 134 VAL CB C 34.3 0.3 1 1266 134 134 VAL CG2 C 21.0 0.3 1 1267 134 134 VAL N N 120.3 0.3 1 1268 135 135 PRO HA H 4.79 0.02 1 1269 135 135 PRO HB3 H 2.09 0.02 1 1270 135 135 PRO HG2 H 1.69 0.02 1 1271 135 135 PRO HD2 H 3.77 0.02 1 1272 135 135 PRO C C 177.3 0.3 1 1273 135 135 PRO CA C 62.3 0.3 1 1274 135 135 PRO CB C 31.9 0.3 1 1275 135 135 PRO CG C 26.7 0.3 1 1276 135 135 PRO CD C 50.8 0.3 1 1277 136 136 LEU H H 8.42 0.02 1 1278 136 136 LEU HA H 4.77 0.02 1 1279 136 136 LEU HB2 H 1.53 0.02 1 1280 136 136 LEU HG H 1.41 0.02 1 1281 136 136 LEU HD2 H 0.79 0.02 1 1282 136 136 LEU C C 177.4 0.3 1 1283 136 136 LEU CA C 53.1 0.3 1 1284 136 136 LEU CB C 43.6 0.3 1 1285 136 136 LEU CG C 25.7 0.3 1 1286 136 136 LEU CD2 C 23.5 0.3 1 1287 136 136 LEU N N 123.8 0.3 1 1288 137 137 ARG H H 9.08 0.02 1 1289 137 137 ARG HA H 3.89 0.02 1 1290 137 137 ARG HB3 H 1.77 0.02 1 1291 137 137 ARG HG2 H 1.58 0.02 1 1292 137 137 ARG HD2 H 3.20 0.02 2 1293 137 137 ARG HD3 H 3.23 0.02 2 1294 137 137 ARG HE H 7.69 0.02 1 1295 137 137 ARG C C 178.1 0.3 1 1296 137 137 ARG CA C 59.7 0.3 1 1297 137 137 ARG CB C 29.7 0.3 1 1298 137 137 ARG CG C 27.1 0.3 1 1299 137 137 ARG CD C 43.2 0.3 1 1300 137 137 ARG N N 127.8 0.3 1 1301 137 137 ARG NE N 84.1 0.3 1 1302 138 138 GLY H H 8.82 0.02 1 1303 138 138 GLY HA2 H 3.66 0.02 2 1304 138 138 GLY HA3 H 3.31 0.02 2 1305 138 138 GLY C C 177.1 0.3 1 1306 138 138 GLY CA C 46.4 0.3 1 1307 138 138 GLY N N 103.9 0.3 1 1308 139 139 LEU H H 6.81 0.02 1 1309 139 139 LEU HA H 4.32 0.02 1 1310 139 139 LEU HB2 H 2.15 0.02 1 1311 139 139 LEU HG H 1.06 0.02 1 1312 139 139 LEU HD2 H 0.86 0.02 1 1313 139 139 LEU C C 177.9 0.3 1 1314 139 139 LEU CA C 56.8 0.3 1 1315 139 139 LEU CB C 41.1 0.3 1 1316 139 139 LEU CG C 25.6 0.3 1 1317 139 139 LEU CD2 C 25.6 0.3 1 1318 139 139 LEU N N 118.1 0.3 1 1319 140 140 LYS H H 8.03 0.02 1 1320 140 140 LYS HA H 3.94 0.02 1 1321 140 140 LYS HB3 H 1.99 0.02 1 1322 140 140 LYS HG2 H 1.43 0.02 1 1323 140 140 LYS HD2 H 1.65 0.02 1 1324 140 140 LYS HE2 H 2.87 0.02 1 1325 140 140 LYS C C 179.6 0.3 1 1326 140 140 LYS CA C 60.4 0.3 1 1327 140 140 LYS CB C 32.0 0.3 1 1328 140 140 LYS CG C 25.1 0.3 1 1329 140 140 LYS CD C 29.6 0.3 1 1330 140 140 LYS CE C 42.0 0.3 1 1331 140 140 LYS N N 121.5 0.3 1 1332 141 141 ILE H H 7.97 0.02 1 1333 141 141 ILE HA H 3.71 0.02 1 1334 141 141 ILE HB H 1.81 0.02 1 1335 141 141 ILE HG13 H 1.18 0.02 1 1336 141 141 ILE HG2 H 0.92 0.02 1 1337 141 141 ILE HD1 H 0.83 0.02 1 1338 141 141 ILE C C 178.3 0.3 1 1339 141 141 ILE CA C 64.2 0.3 1 1340 141 141 ILE CB C 38.3 0.3 1 1341 141 141 ILE CG1 C 29.0 0.3 1 1342 141 141 ILE CG2 C 16.9 0.3 1 1343 141 141 ILE CD1 C 12.5 0.3 1 1344 141 141 ILE N N 118.4 0.3 1 1345 142 142 ARG H H 7.53 0.02 1 1346 142 142 ARG HA H 4.03 0.02 1 1347 142 142 ARG HB3 H 1.94 0.02 1 1348 142 142 ARG HG2 H 1.56 0.02 1 1349 142 142 ARG HD2 H 3.25 0.02 1 1350 142 142 ARG HE H 7.45 0.02 1 1351 142 142 ARG C C 178.0 0.3 1 1352 142 142 ARG CA C 59.7 0.3 1 1353 142 142 ARG CB C 30.3 0.3 1 1354 142 142 ARG CG C 26.5 0.3 1 1355 142 142 ARG CD C 44.0 0.3 1 1356 142 142 ARG N N 120.8 0.3 1 1357 142 142 ARG NE N 84.7 0.3 1 1358 143 143 ARG H H 9.08 0.02 1 1359 143 143 ARG HE H 7.29 0.02 1 1360 143 143 ARG C C 179.3 0.3 1 1361 143 143 ARG CA C 57.6 0.3 1 1362 143 143 ARG CB C 33.8 0.3 1 1363 143 143 ARG N N 116.3 0.3 1 1364 143 143 ARG NE N 84.6 0.3 1 1365 146 146 GLU HA H 3.80 0.02 1 1366 146 146 GLU HB3 H 2.11 0.02 1 1367 146 146 GLU HG2 H 2.47 0.02 1 1368 146 146 GLU C C 178.1 0.3 1 1369 146 146 GLU CA C 58.9 0.3 1 1370 146 146 GLU CB C 29.8 0.3 1 1371 146 146 GLU CG C 37.7 0.3 1 1372 147 147 ARG H H 8.96 0.02 1 1373 147 147 ARG HA H 3.75 0.02 1 1374 147 147 ARG HB3 H 2.25 0.02 1 1375 147 147 ARG HG2 H 1.62 0.02 1 1376 147 147 ARG HD2 H 3.48 0.02 1 1377 147 147 ARG HE H 8.36 0.02 1 1378 147 147 ARG C C 177.2 0.3 1 1379 147 147 ARG CA C 60.5 0.3 1 1380 147 147 ARG CB C 30.5 0.3 1 1381 147 147 ARG CG C 27.3 0.3 1 1382 147 147 ARG CD C 43.5 0.3 1 1383 147 147 ARG N N 122.4 0.3 1 1384 147 147 ARG NE N 83.6 0.3 1 1385 148 148 GLN H H 8.24 0.02 1 1386 148 148 GLN HA H 3.85 0.02 1 1387 148 148 GLN HB3 H 2.43 0.02 1 1388 148 148 GLN HG2 H 2.55 0.02 1 1389 148 148 GLN HE21 H 7.65 0.02 1 1390 148 148 GLN HE22 H 6.87 0.02 1 1391 148 148 GLN C C 179.6 0.3 1 1392 148 148 GLN CA C 58.5 0.3 1 1393 148 148 GLN CB C 27.9 0.3 1 1394 148 148 GLN CG C 33.6 0.3 1 1395 148 148 GLN N N 116.1 0.3 1 1396 148 148 GLN NE2 N 112.7 0.3 1 1397 149 149 LEU H H 7.68 0.02 1 1398 149 149 LEU C C 178.0 0.3 1 1399 149 149 LEU CA C 59.0 0.3 1 1400 149 149 LEU CB C 40.3 0.3 1 1401 149 149 LEU N N 121.1 0.3 1 1402 150 150 CYS H H 8.75 0.02 1 1403 150 150 CYS HA H 3.59 0.02 1 1404 150 150 CYS HB2 H 2.73 0.02 1 1405 150 150 CYS C C 173.8 0.3 1 1406 150 150 CYS CA C 60.2 0.3 1 1407 150 150 CYS CB C 35.5 0.3 1 1408 150 150 CYS N N 118.9 0.3 1 1409 151 151 LEU H H 7.52 0.02 1 1410 151 151 LEU HA H 3.96 0.02 1 1411 151 151 LEU HB2 H 1.72 0.02 1 1412 151 151 LEU C C 179.0 0.3 1 1413 151 151 LEU CA C 55.2 0.3 1 1414 151 151 LEU CB C 43.7 0.3 1 1415 151 151 LEU CG C 26.2 0.3 1 1416 151 151 LEU N N 111.0 0.3 1 1417 152 152 THR H H 8.12 0.02 1 1418 152 152 THR HA H 3.96 0.02 1 1419 152 152 THR HB H 4.55 0.02 1 1420 152 152 THR HG2 H 1.17 0.02 1 1421 152 152 THR C C 176.2 0.3 1 1422 152 152 THR CA C 66.5 0.3 1 1423 152 152 THR CB C 68.1 0.3 1 1424 152 152 THR CG2 C 20.2 0.3 1 1425 152 152 THR N N 119.3 0.3 1 1426 153 153 GLY H H 9.47 0.02 1 1427 153 153 GLY HA2 H 3.95 0.02 2 1428 153 153 GLY HA3 H 3.91 0.02 2 1429 153 153 GLY C C 174.3 0.3 1 1430 153 153 GLY CA C 45.3 0.3 1 1431 153 153 GLY N N 119.8 0.3 1 1432 154 154 LEU H H 8.07 0.02 1 1433 154 154 LEU HA H 4.55 0.02 1 1434 154 154 LEU HB2 H 1.83 0.02 1 1435 154 154 LEU HG H 1.55 0.02 1 1436 154 154 LEU C C 177.2 0.3 1 1437 154 154 LEU CA C 55.1 0.3 1 1438 154 154 LEU CB C 43.1 0.3 1 1439 154 154 LEU CG C 27.0 0.3 1 1440 154 154 LEU N N 119.8 0.3 1 1441 155 155 VAL H H 7.94 0.02 1 1442 155 155 VAL HA H 4.25 0.02 1 1443 155 155 VAL HB H 2.11 0.02 1 1444 155 155 VAL HG2 H 0.93 0.02 1 1445 155 155 VAL C C 175.3 0.3 1 1446 155 155 VAL CA C 61.3 0.3 1 1447 155 155 VAL CB C 33.4 0.3 1 1448 155 155 VAL CG1 C 21.5 0.3 1 1449 155 155 VAL CG2 C 20.5 0.3 1 1450 155 155 VAL N N 117.9 0.3 1 1451 156 156 ASN H H 8.73 0.02 1 1452 156 156 ASN HA H 4.72 0.02 1 1453 156 156 ASN HB2 H 2.83 0.02 2 1454 156 156 ASN HB3 H 2.69 0.02 2 1455 156 156 ASN HD21 H 7.34 0.02 1 1456 156 156 ASN HD22 H 6.54 0.02 1 1457 156 156 ASN C C 175.0 0.3 1 1458 156 156 ASN CA C 52.8 0.3 1 1459 156 156 ASN CB C 38.7 0.3 1 1460 156 156 ASN N N 123.5 0.3 1 1461 156 156 ASN ND2 N 110.5 0.3 1 1462 157 157 GLU H H 8.49 0.02 1 1463 157 157 GLU HA H 4.24 0.02 1 1464 157 157 GLU HB3 H 2.20 0.02 1 1465 157 157 GLU HG2 H 1.92 0.02 2 1466 157 157 GLU HG3 H 1.80 0.02 2 1467 157 157 GLU C C 176.0 0.3 1 1468 157 157 GLU CA C 56.2 0.3 1 1469 157 157 GLU CB C 30.0 0.3 1 1470 157 157 GLU N N 122.3 0.3 1 1471 158 158 HIS H H 8.58 0.02 1 1472 158 158 HIS C C 174.2 0.3 1 1473 158 158 HIS CA C 55.2 0.3 1 1474 158 158 HIS CB C 28.6 0.3 1 1475 158 158 HIS N N 119.0 0.3 1 1476 159 159 HIS H H 8.58 0.02 1 1477 159 159 HIS C C 174.2 0.3 1 1478 159 159 HIS CA C 55.2 0.3 1 1479 159 159 HIS CB C 28.9 0.3 1 1480 159 159 HIS N N 119.1 0.3 1 1481 160 160 HIS H H 8.74 0.02 1 1482 160 160 HIS C C 174.1 0.3 1 1483 160 160 HIS CA C 55.2 0.3 1 1484 160 160 HIS CB C 29.0 0.3 1 1485 160 160 HIS N N 119.9 0.3 1 1486 161 161 HIS H H 8.82 0.02 1 1487 161 161 HIS C C 174.0 0.3 1 1488 161 161 HIS CA C 55.2 0.3 1 1489 161 161 HIS CB C 29.1 0.3 1 1490 161 161 HIS N N 120.6 0.3 1 1491 162 162 HIS H H 8.69 0.02 1 1492 162 162 HIS C C 173.6 0.3 1 1493 162 162 HIS CA C 55.3 0.3 1 1494 162 162 HIS CB C 29.1 0.3 1 1495 162 162 HIS N N 120.8 0.3 1 1496 163 163 HIS H H 8.45 0.02 1 1497 163 163 HIS C C 178.8 0.3 1 1498 163 163 HIS CA C 57.0 0.3 1 1499 163 163 HIS CB C 29.3 0.3 1 1500 163 163 HIS N N 125.7 0.3 1 stop_ save_