data_15061 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment of a KlbA intein precursor from Methanococcus jannaschii ; _BMRB_accession_number 15061 _BMRB_flat_file_name bmr15061.str _Entry_type original _Submission_date 2006-11-30 _Accession_date 2006-11-30 _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 Johnson Margaret A. . 2 Maurice Southworth W. . 3 Francine Perler B. . 4 Kurt Wuthrich . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1097 "13C chemical shifts" 788 "15N chemical shifts" 194 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update BMRB 'complete entry citation' 2007-06-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of a KlbA intein precursor from Methanococcus jannaschii' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636816 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Johnson Margaret A. . 2 Southworth Maurice W. . 3 Perler Francine B. . 4 Wuthrich Kurt . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 19 _Page_last 21 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'intein precursor polypeptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'intein precursor polypeptide' $intein_precursor_polypeptide stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_intein_precursor_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common intein_precursor_polypeptide _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'protein splicing' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 186 _Mol_residue_sequence ; MNTGHDGALAYDEPIYLSDG NIINIGEFVDKFFKKYKNSI KKEDNGFGWIDIGNENIYIK SFNKLSLIIEDKRILRVWRK KYSGKLIKITTKNRREITLT HDHPVYISKTGEVLEINAEM VKVGDYIYIPKNNTINLDEV IKVETVDYNGHIYDLTVEDN HTYIAGKNEGFAVSASSGTL HHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 THR 4 GLY 5 HIS 6 ASP 7 GLY 8 ALA 9 LEU 10 ALA 11 TYR 12 ASP 13 GLU 14 PRO 15 ILE 16 TYR 17 LEU 18 SER 19 ASP 20 GLY 21 ASN 22 ILE 23 ILE 24 ASN 25 ILE 26 GLY 27 GLU 28 PHE 29 VAL 30 ASP 31 LYS 32 PHE 33 PHE 34 LYS 35 LYS 36 TYR 37 LYS 38 ASN 39 SER 40 ILE 41 LYS 42 LYS 43 GLU 44 ASP 45 ASN 46 GLY 47 PHE 48 GLY 49 TRP 50 ILE 51 ASP 52 ILE 53 GLY 54 ASN 55 GLU 56 ASN 57 ILE 58 TYR 59 ILE 60 LYS 61 SER 62 PHE 63 ASN 64 LYS 65 LEU 66 SER 67 LEU 68 ILE 69 ILE 70 GLU 71 ASP 72 LYS 73 ARG 74 ILE 75 LEU 76 ARG 77 VAL 78 TRP 79 ARG 80 LYS 81 LYS 82 TYR 83 SER 84 GLY 85 LYS 86 LEU 87 ILE 88 LYS 89 ILE 90 THR 91 THR 92 LYS 93 ASN 94 ARG 95 ARG 96 GLU 97 ILE 98 THR 99 LEU 100 THR 101 HIS 102 ASP 103 HIS 104 PRO 105 VAL 106 TYR 107 ILE 108 SER 109 LYS 110 THR 111 GLY 112 GLU 113 VAL 114 LEU 115 GLU 116 ILE 117 ASN 118 ALA 119 GLU 120 MET 121 VAL 122 LYS 123 VAL 124 GLY 125 ASP 126 TYR 127 ILE 128 TYR 129 ILE 130 PRO 131 LYS 132 ASN 133 ASN 134 THR 135 ILE 136 ASN 137 LEU 138 ASP 139 GLU 140 VAL 141 ILE 142 LYS 143 VAL 144 GLU 145 THR 146 VAL 147 ASP 148 TYR 149 ASN 150 GLY 151 HIS 152 ILE 153 TYR 154 ASP 155 LEU 156 THR 157 VAL 158 GLU 159 ASP 160 ASN 161 HIS 162 THR 163 TYR 164 ILE 165 ALA 166 GLY 167 LYS 168 ASN 169 GLU 170 GLY 171 PHE 172 ALA 173 VAL 174 SER 175 ALA 176 SER 177 SER 178 GLY 179 THR 180 LEU 181 HIS 182 HIS 183 HIS 184 HIS 185 HIS 186 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-09 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2JMZ "Solution Structure Of A Klba Intein Precursor From Methanococcus Jannaschii" 100.00 186 100.00 100.00 6.68e-129 PDB 2JNQ "Solution Structure Of A Klba Intein Precursor From Methanococcus Jannaschii" 100.00 186 100.00 100.00 6.68e-129 GB AAB98770 "type II secretion system protein [Methanocaldococcus jannaschii DSM 2661]" 97.31 721 98.90 98.90 3.48e-118 SP Q58191 "RecName: Full=Uncharacterized protein MJ0781; Contains: RecName: Full=Mja klbA intein" 97.31 721 98.90 98.90 3.48e-118 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $intein_precursor_polypeptide . 2190 Archaea . Methanocaldococcus jannaschii 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 $intein_precursor_polypeptide 'recombinant technology' . Escherichia coli . pMjaKlbA 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 $intein_precursor_polypeptide 2 mM '[U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 2 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $intein_precursor_polypeptide 2 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . 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_ save_ATNOS_CANDID _Saveframe_category software _Name ATHNOS-CANDID _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_OPAL _Saveframe_category software _Name OPAL _Version . loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _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_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 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' 0.12 . M pH 5.3 . pH pressure 1 . atm temperature 308 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.12 . M pH 5.3 . pH pressure 1 . atm temperature 308 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $entry_citation $entry_citation 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 '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'intein precursor polypeptide' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ASN HA H 4.91 0.02 1 2 2 2 ASN HB2 H 2.92 0.02 2 3 2 2 ASN HB3 H 2.81 0.02 2 4 2 2 ASN C C 174.94 0.4 1 5 2 2 ASN CA C 53.462 0.4 1 6 2 2 ASN CB C 38.816 0.4 1 7 3 3 THR H H 8.367 0.02 1 8 3 3 THR HA H 4.384 0.02 1 9 3 3 THR HB H 4.284 0.02 1 10 3 3 THR HG2 H 1.177 0.02 1 11 3 3 THR C C 174.9 0.4 1 12 3 3 THR CA C 61.716 0.4 1 13 3 3 THR CB C 69.649 0.4 1 14 3 3 THR CG2 C 21.673 0.4 1 15 3 3 THR N N 114.478 0.4 1 16 4 4 GLY H H 8.35 0.02 1 17 4 4 GLY HA2 H 3.968 0.02 2 18 4 4 GLY HA3 H 3.968 0.02 2 19 4 4 GLY C C 173.07 0.4 1 20 4 4 GLY CA C 45.109 0.4 1 21 4 4 GLY N N 110.606 0.4 1 22 5 5 HIS H H 8.558 0.02 1 23 5 5 HIS HA H 4.032 0.02 1 24 5 5 HIS HB2 H 2.306 0.02 2 25 5 5 HIS HB3 H 2.168 0.02 2 26 5 5 HIS CA C 55.739 0.4 1 27 5 5 HIS CB C 29.089 0.4 1 28 5 5 HIS N N 119.573 0.4 1 29 6 6 ASP H H 8.276 0.02 1 30 6 6 ASP HA H 4.51 0.02 1 31 6 6 ASP HB2 H 2.342 0.02 2 32 6 6 ASP HB3 H 2.186 0.02 2 33 6 6 ASP C C 174.69 0.4 1 34 6 6 ASP CA C 53.241 0.4 1 35 6 6 ASP CB C 41.149 0.4 1 36 6 6 ASP N N 128.922 0.4 1 37 7 7 GLY H H 7.803 0.02 1 38 7 7 GLY HA2 H 3.507 0.02 2 39 7 7 GLY HA3 H 3.325 0.02 2 40 7 7 GLY C C 171.79 0.4 1 41 7 7 GLY CA C 45.442 0.4 1 42 7 7 GLY N N 108.178 0.4 1 43 8 8 ALA H H 8.386 0.02 1 44 8 8 ALA HA H 4.633 0.02 1 45 8 8 ALA HB H 1.613 0.02 1 46 8 8 ALA C C 173.98 0.4 1 47 8 8 ALA CA C 52.4 0.4 1 48 8 8 ALA CB C 22.976 0.4 1 49 8 8 ALA N N 117.252 0.4 1 50 9 9 LEU H H 10.361 0.02 1 51 9 9 LEU HA H 4.725 0.02 1 52 9 9 LEU HB2 H 2.031 0.02 2 53 9 9 LEU HB3 H 1.917 0.02 2 54 9 9 LEU HG H 1.881 0.02 1 55 9 9 LEU HD1 H 0.75 0.02 2 56 9 9 LEU HD2 H 0.75 0.02 2 57 9 9 LEU C C 177.03 0.4 1 58 9 9 LEU CA C 54.608 0.4 1 59 9 9 LEU CB C 46.056 0.4 1 60 9 9 LEU CG C 29.54 0.4 1 61 9 9 LEU CD1 C 25.427 0.4 2 62 9 9 LEU CD2 C 25.35 0.4 2 63 9 9 LEU N N 120.551 0.4 1 64 10 10 ALA H H 7.179 0.02 1 65 10 10 ALA HA H 4.078 0.02 1 66 10 10 ALA HB H 1.482 0.02 1 67 10 10 ALA C C 175.63 0.4 1 68 10 10 ALA CA C 52.679 0.4 1 69 10 10 ALA CB C 19.978 0.4 1 70 10 10 ALA N N 118.716 0.4 1 71 11 11 TYR H H 7.904 0.02 1 72 11 11 TYR HA H 4.052 0.02 1 73 11 11 TYR HB2 H 3.581 0.02 2 74 11 11 TYR HB3 H 3.474 0.02 2 75 11 11 TYR HD1 H 7.425 0.02 3 76 11 11 TYR HD2 H 7.425 0.02 3 77 11 11 TYR HE1 H 6.951 0.02 3 78 11 11 TYR HE2 H 6.951 0.02 3 79 11 11 TYR C C 175.83 0.4 1 80 11 11 TYR CA C 61.34 0.4 1 81 11 11 TYR CB C 40.481 0.4 1 82 11 11 TYR CD1 C 134.347 0.4 1 83 11 11 TYR CE1 C 117.701 0.4 1 84 11 11 TYR N N 114.313 0.4 1 85 12 12 ASP H H 8.661 0.02 1 86 12 12 ASP HA H 4.3 0.02 1 87 12 12 ASP HB2 H 2.904 0.02 2 88 12 12 ASP HB3 H 2.309 0.02 2 89 12 12 ASP C C 174.65 0.4 1 90 12 12 ASP CA C 52.57 0.4 1 91 12 12 ASP CB C 38.438 0.4 1 92 12 12 ASP N N 115.042 0.4 1 93 13 13 GLU H H 6.991 0.02 1 94 13 13 GLU HA H 5.244 0.02 1 95 13 13 GLU HB2 H 2.123 0.02 2 96 13 13 GLU HB3 H 1.88 0.02 2 97 13 13 GLU HG2 H 2.599 0.02 2 98 13 13 GLU HG3 H 2.599 0.02 2 99 13 13 GLU CA C 51.868 0.4 1 100 13 13 GLU CB C 29.241 0.4 1 101 13 13 GLU CG C 34.561 0.4 1 102 13 13 GLU N N 117.217 0.4 1 103 14 14 PRO HA H 4.533 0.02 1 104 14 14 PRO HB2 H 1.813 0.02 2 105 14 14 PRO HB3 H 1.574 0.02 2 106 14 14 PRO HG2 H 1.992 0.02 2 107 14 14 PRO HG3 H 1.992 0.02 2 108 14 14 PRO HD2 H 4.376 0.02 2 109 14 14 PRO HD3 H 3.473 0.02 2 110 14 14 PRO C C 175.47 0.4 1 111 14 14 PRO CA C 62.442 0.4 1 112 14 14 PRO CB C 32.318 0.4 1 113 14 14 PRO CG C 27.408 0.4 1 114 14 14 PRO CD C 51.554 0.4 1 115 15 15 ILE H H 8.621 0.02 1 116 15 15 ILE HA H 5.193 0.02 1 117 15 15 ILE HB H 1.937 0.02 1 118 15 15 ILE HG12 H 1.216 0.02 2 119 15 15 ILE HG13 H 1.107 0.02 2 120 15 15 ILE HG2 H 1.161 0.02 1 121 15 15 ILE HD1 H 0.121 0.02 1 122 15 15 ILE C C 174.3 0.4 1 123 15 15 ILE CA C 60.114 0.4 1 124 15 15 ILE CB C 40.819 0.4 1 125 15 15 ILE CG1 C 25.289 0.4 1 126 15 15 ILE CG2 C 19.164 0.4 1 127 15 15 ILE CD1 C 13.645 0.4 1 128 15 15 ILE N N 112.98 0.4 1 129 16 16 TYR H H 6.801 0.02 1 130 16 16 TYR HA H 4.522 0.02 1 131 16 16 TYR HB2 H 2.912 0.02 2 132 16 16 TYR HB3 H 2.723 0.02 2 133 16 16 TYR HD1 H 7.141 0.02 3 134 16 16 TYR HD2 H 7.141 0.02 3 135 16 16 TYR HE1 H 6.948 0.02 3 136 16 16 TYR HE2 H 6.948 0.02 3 137 16 16 TYR C C 174.69 0.4 1 138 16 16 TYR CA C 57.471 0.4 1 139 16 16 TYR CB C 37.338 0.4 1 140 16 16 TYR CD1 C 133.826 0.4 1 141 16 16 TYR CE1 C 117.14 0.4 1 142 16 16 TYR N N 120.002 0.4 1 143 17 17 LEU H H 7.851 0.02 1 144 17 17 LEU HA H 4.627 0.02 1 145 17 17 LEU HB2 H 2.269 0.02 2 146 17 17 LEU HB3 H 1.831 0.02 2 147 17 17 LEU HG H 1.471 0.02 1 148 17 17 LEU HD1 H 0.875 0.02 2 149 17 17 LEU HD2 H 0.539 0.02 2 150 17 17 LEU C C 180.38 0.4 1 151 17 17 LEU CA C 55.277 0.4 1 152 17 17 LEU CB C 41.935 0.4 1 153 17 17 LEU CG C 27.467 0.4 1 154 17 17 LEU CD1 C 25.518 0.4 2 155 17 17 LEU CD2 C 22.357 0.4 2 156 17 17 LEU N N 119.891 0.4 1 157 18 18 SER H H 8.831 0.02 1 158 18 18 SER HA H 3.959 0.02 1 159 18 18 SER HB2 H 3.7 0.02 2 160 18 18 SER HB3 H 3.466 0.02 2 161 18 18 SER C C 174.03 0.4 1 162 18 18 SER CA C 63.207 0.4 1 163 18 18 SER CB C 62.339 0.4 1 164 18 18 SER N N 118.962 0.4 1 165 19 19 ASP H H 8.02 0.02 1 166 19 19 ASP HA H 4.466 0.02 1 167 19 19 ASP HB2 H 3.113 0.02 2 168 19 19 ASP HB3 H 2.634 0.02 2 169 19 19 ASP C C 176.78 0.4 1 170 19 19 ASP CA C 53.526 0.4 1 171 19 19 ASP CB C 39.59 0.4 1 172 19 19 ASP N N 118.801 0.4 1 173 20 20 GLY H H 7.811 0.02 1 174 20 20 GLY HA2 H 4.44 0.02 2 175 20 20 GLY HA3 H 3.708 0.02 2 176 20 20 GLY C C 174.74 0.4 1 177 20 20 GLY CA C 44.733 0.4 1 178 20 20 GLY N N 107.223 0.4 1 179 21 21 ASN H H 8.343 0.02 1 180 21 21 ASN HA H 4.645 0.02 1 181 21 21 ASN HB2 H 3.1 0.02 2 182 21 21 ASN HB3 H 2.529 0.02 2 183 21 21 ASN HD21 H 7.834 0.02 2 184 21 21 ASN HD22 H 6.846 0.02 2 185 21 21 ASN C C 174.36 0.4 1 186 21 21 ASN CA C 54.309 0.4 1 187 21 21 ASN CB C 39.444 0.4 1 188 21 21 ASN N N 120.352 0.4 1 189 21 21 ASN ND2 N 114.028 0.4 1 190 22 22 ILE H H 8.143 0.02 1 191 22 22 ILE HA H 4.642 0.02 1 192 22 22 ILE HB H 1.534 0.02 1 193 22 22 ILE HG12 H 1.626 0.02 2 194 22 22 ILE HG13 H 0.796 0.02 2 195 22 22 ILE HG2 H 0.443 0.02 1 196 22 22 ILE HD1 H 1.024 0.02 1 197 22 22 ILE C C 175.01 0.4 1 198 22 22 ILE CA C 61.075 0.4 1 199 22 22 ILE CB C 40.224 0.4 1 200 22 22 ILE CG1 C 27.095 0.4 1 201 22 22 ILE CG2 C 17.498 0.4 1 202 22 22 ILE CD1 C 14.137 0.4 1 203 22 22 ILE N N 123.783 0.4 1 204 23 23 ILE H H 7.84 0.02 1 205 23 23 ILE HA H 4.597 0.02 1 206 23 23 ILE HB H 1.654 0.02 1 207 23 23 ILE HG12 H 1.63 0.02 2 208 23 23 ILE HG13 H 1.41 0.02 2 209 23 23 ILE HG2 H 0.812 0.02 1 210 23 23 ILE HD1 H 0.977 0.02 1 211 23 23 ILE C C 173.14 0.4 1 212 23 23 ILE CA C 58.184 0.4 1 213 23 23 ILE CB C 42.028 0.4 1 214 23 23 ILE CG1 C 27.81 0.4 1 215 23 23 ILE CG2 C 15.433 0.4 1 216 23 23 ILE CD1 C 14.206 0.4 1 217 23 23 ILE N N 125.424 0.4 1 218 24 24 ASN H H 8.845 0.02 1 219 24 24 ASN HA H 4.521 0.02 1 220 24 24 ASN HB2 H 3.01 0.02 2 221 24 24 ASN HB3 H 2.61 0.02 2 222 24 24 ASN HD21 H 7.413 0.02 2 223 24 24 ASN HD22 H 6.8 0.02 2 224 24 24 ASN C C 177.54 0.4 1 225 24 24 ASN CA C 53.525 0.4 1 226 24 24 ASN CB C 37.271 0.4 1 227 24 24 ASN N N 125.976 0.4 1 228 24 24 ASN ND2 N 108.748 0.4 1 229 25 25 ILE H H 9.426 0.02 1 230 25 25 ILE HA H 3.787 0.02 1 231 25 25 ILE HB H 2.185 0.02 1 232 25 25 ILE HG12 H 1.498 0.02 2 233 25 25 ILE HG13 H 1.208 0.02 2 234 25 25 ILE HG2 H 1.103 0.02 1 235 25 25 ILE HD1 H 1.006 0.02 1 236 25 25 ILE C C 175.54 0.4 1 237 25 25 ILE CA C 65.778 0.4 1 238 25 25 ILE CB C 37.199 0.4 1 239 25 25 ILE CG1 C 30.42 0.4 1 240 25 25 ILE CG2 C 17.056 0.4 1 241 25 25 ILE CD1 C 14.732 0.4 1 242 25 25 ILE N N 125.401 0.4 1 243 26 26 GLY H H 8.329 0.02 1 244 26 26 GLY HA2 H 2.392 0.02 2 245 26 26 GLY HA3 H 1.657 0.02 2 246 26 26 GLY C C 174.83 0.4 1 247 26 26 GLY CA C 45.36 0.4 1 248 26 26 GLY N N 109.204 0.4 1 249 27 27 GLU H H 6.141 0.02 1 250 27 27 GLU HA H 4.013 0.02 1 251 27 27 GLU HB2 H 2.137 0.02 2 252 27 27 GLU HB3 H 2.035 0.02 2 253 27 27 GLU HG2 H 2.379 0.02 2 254 27 27 GLU HG3 H 2.265 0.02 2 255 27 27 GLU C C 179.13 0.4 1 256 27 27 GLU CA C 58.553 0.4 1 257 27 27 GLU CB C 30.007 0.4 1 258 27 27 GLU CG C 36.391 0.4 1 259 27 27 GLU N N 119.843 0.4 1 260 28 28 PHE H H 7.812 0.02 1 261 28 28 PHE HA H 4.079 0.02 1 262 28 28 PHE HB2 H 3.251 0.02 2 263 28 28 PHE HB3 H 3.086 0.02 2 264 28 28 PHE HD1 H 7.304 0.02 3 265 28 28 PHE HD2 H 7.304 0.02 3 266 28 28 PHE HE1 H 7.296 0.02 3 267 28 28 PHE HE2 H 7.296 0.02 3 268 28 28 PHE C C 176.12 0.4 1 269 28 28 PHE CA C 61.068 0.4 1 270 28 28 PHE CB C 39.996 0.4 1 271 28 28 PHE CD1 C 132.108 0.4 1 272 28 28 PHE CE1 C 131.044 0.4 1 273 28 28 PHE N N 118.535 0.4 1 274 29 29 VAL H H 8.922 0.02 1 275 29 29 VAL HA H 3.768 0.02 1 276 29 29 VAL HB H 2.558 0.02 1 277 29 29 VAL HG1 H 1.628 0.02 2 278 29 29 VAL HG2 H 1.503 0.02 2 279 29 29 VAL C C 179.49 0.4 1 280 29 29 VAL CA C 67.666 0.4 1 281 29 29 VAL CB C 31.533 0.4 1 282 29 29 VAL CG1 C 24.031 0.4 2 283 29 29 VAL CG2 C 23.63 0.4 2 284 29 29 VAL N N 116.476 0.4 1 285 30 30 ASP H H 8.919 0.02 1 286 30 30 ASP HA H 4.421 0.02 1 287 30 30 ASP HB2 H 3.039 0.02 2 288 30 30 ASP HB3 H 2.607 0.02 2 289 30 30 ASP C C 179.51 0.4 1 290 30 30 ASP CA C 58.133 0.4 1 291 30 30 ASP CB C 39.166 0.4 1 292 30 30 ASP N N 120.387 0.4 1 293 31 31 LYS H H 7.212 0.02 1 294 31 31 LYS HA H 3.939 0.02 1 295 31 31 LYS HB2 H 1.635 0.02 2 296 31 31 LYS HB3 H 1.488 0.02 2 297 31 31 LYS HG2 H 1.306 0.02 2 298 31 31 LYS HG3 H 0.981 0.02 2 299 31 31 LYS HD2 H 1.399 0.02 2 300 31 31 LYS HD3 H 1.399 0.02 2 301 31 31 LYS HE2 H 2.67 0.02 2 302 31 31 LYS HE3 H 2.67 0.02 2 303 31 31 LYS C C 179.78 0.4 1 304 31 31 LYS CA C 59.797 0.4 1 305 31 31 LYS CB C 31.492 0.4 1 306 31 31 LYS CG C 24.372 0.4 1 307 31 31 LYS CD C 29.347 0.4 1 308 31 31 LYS CE C 41.875 0.4 1 309 31 31 LYS N N 118.129 0.4 1 310 32 32 PHE H H 7.371 0.02 1 311 32 32 PHE HA H 4.224 0.02 1 312 32 32 PHE HB2 H 3.04 0.02 2 313 32 32 PHE HB3 H 3.04 0.02 2 314 32 32 PHE HD1 H 7.142 0.02 3 315 32 32 PHE HD2 H 7.142 0.02 3 316 32 32 PHE HE1 H 6.628 0.02 3 317 32 32 PHE HE2 H 6.628 0.02 3 318 32 32 PHE HZ H 7.066 0.02 1 319 32 32 PHE C C 176.91 0.4 1 320 32 32 PHE CA C 62.583 0.4 1 321 32 32 PHE CB C 38.991 0.4 1 322 32 32 PHE CD1 C 131.13 0.4 1 323 32 32 PHE CE1 C 131.577 0.4 1 324 32 32 PHE CZ C 130.012 0.4 1 325 32 32 PHE N N 118.313 0.4 1 326 33 33 PHE H H 8.204 0.02 1 327 33 33 PHE HA H 3.885 0.02 1 328 33 33 PHE HB2 H 3.165 0.02 2 329 33 33 PHE HB3 H 2.909 0.02 2 330 33 33 PHE HD1 H 7.355 0.02 3 331 33 33 PHE HD2 H 7.355 0.02 3 332 33 33 PHE HE1 H 7.093 0.02 3 333 33 33 PHE HE2 H 7.093 0.02 3 334 33 33 PHE C C 177.11 0.4 1 335 33 33 PHE CA C 61.298 0.4 1 336 33 33 PHE CB C 39.106 0.4 1 337 33 33 PHE CD1 C 131.225 0.4 1 338 33 33 PHE CE1 C 131.233 0.4 1 339 33 33 PHE N N 120.658 0.4 1 340 34 34 LYS H H 7.322 0.02 1 341 34 34 LYS HA H 4.22 0.02 1 342 34 34 LYS HB2 H 1.84 0.02 2 343 34 34 LYS HB3 H 1.84 0.02 2 344 34 34 LYS HG2 H 1.544 0.02 2 345 34 34 LYS HG3 H 1.388 0.02 2 346 34 34 LYS HD2 H 1.671 0.02 2 347 34 34 LYS HD3 H 1.671 0.02 2 348 34 34 LYS HE2 H 2.958 0.02 2 349 34 34 LYS HE3 H 2.958 0.02 2 350 34 34 LYS C C 177.98 0.4 1 351 34 34 LYS CA C 58.582 0.4 1 352 34 34 LYS CB C 32.715 0.4 1 353 34 34 LYS CG C 25.008 0.4 1 354 34 34 LYS CD C 29.256 0.4 1 355 34 34 LYS CE C 42.03 0.4 1 356 34 34 LYS N N 116.712 0.4 1 357 35 35 LYS H H 7.613 0.02 1 358 35 35 LYS HA H 3.865 0.02 1 359 35 35 LYS HB2 H 1.639 0.02 2 360 35 35 LYS HB3 H 1.349 0.02 2 361 35 35 LYS HG2 H 1 0.02 2 362 35 35 LYS HG3 H 0.353 0.02 2 363 35 35 LYS HD2 H 1.398 0.02 2 364 35 35 LYS HD3 H 1.287 0.02 2 365 35 35 LYS HE2 H 2.717 0.02 2 366 35 35 LYS HE3 H 2.717 0.02 2 367 35 35 LYS C C 177.47 0.4 1 368 35 35 LYS CA C 59.309 0.4 1 369 35 35 LYS CB C 34.175 0.4 1 370 35 35 LYS CG C 24.581 0.4 1 371 35 35 LYS CD C 30.124 0.4 1 372 35 35 LYS CE C 41.756 0.4 1 373 35 35 LYS N N 119.485 0.4 1 374 36 36 TYR H H 8.323 0.02 1 375 36 36 TYR HA H 5.068 0.02 1 376 36 36 TYR HB2 H 3.272 0.02 2 377 36 36 TYR HB3 H 2.745 0.02 2 378 36 36 TYR HD1 H 7.179 0.02 3 379 36 36 TYR HD2 H 7.179 0.02 3 380 36 36 TYR HE1 H 6.941 0.02 3 381 36 36 TYR HE2 H 6.941 0.02 3 382 36 36 TYR C C 176.05 0.4 1 383 36 36 TYR CA C 55.558 0.4 1 384 36 36 TYR CB C 36.876 0.4 1 385 36 36 TYR CD1 C 132.788 0.4 1 386 36 36 TYR CE1 C 118.118 0.4 1 387 36 36 TYR N N 116.88 0.4 1 388 37 37 LYS H H 6.528 0.02 1 389 37 37 LYS HA H 4.047 0.02 1 390 37 37 LYS HB2 H 2.006 0.02 2 391 37 37 LYS HB3 H 1.911 0.02 2 392 37 37 LYS HG2 H 1.422 0.02 2 393 37 37 LYS HG3 H 1.422 0.02 2 394 37 37 LYS HD2 H 1.724 0.02 2 395 37 37 LYS HD3 H 1.724 0.02 2 396 37 37 LYS HE2 H 3.042 0.02 2 397 37 37 LYS HE3 H 3.042 0.02 2 398 37 37 LYS C C 177.34 0.4 1 399 37 37 LYS CA C 59.069 0.4 1 400 37 37 LYS CB C 32.328 0.4 1 401 37 37 LYS CG C 23.789 0.4 1 402 37 37 LYS CD C 29.725 0.4 1 403 37 37 LYS CE C 42.083 0.4 1 404 37 37 LYS N N 118.154 0.4 1 405 38 38 ASN H H 8.409 0.02 1 406 38 38 ASN HA H 4.828 0.02 1 407 38 38 ASN HB2 H 2.997 0.02 2 408 38 38 ASN HB3 H 2.827 0.02 2 409 38 38 ASN HD21 H 7.6 0.02 2 410 38 38 ASN HD22 H 6.95 0.02 2 411 38 38 ASN C C 176.16 0.4 1 412 38 38 ASN CA C 53.943 0.4 1 413 38 38 ASN CB C 38.343 0.4 1 414 38 38 ASN N N 115.117 0.4 1 415 39 39 SER H H 8.158 0.02 1 416 39 39 SER HA H 4.653 0.02 1 417 39 39 SER HB2 H 4.029 0.02 2 418 39 39 SER HB3 H 3.708 0.02 2 419 39 39 SER C C 172.76 0.4 1 420 39 39 SER CA C 57.141 0.4 1 421 39 39 SER CB C 63.747 0.4 1 422 39 39 SER N N 115.308 0.4 1 423 40 40 ILE H H 7.065 0.02 1 424 40 40 ILE HA H 3.461 0.02 1 425 40 40 ILE HB H 1.494 0.02 1 426 40 40 ILE HG12 H 1.504 0.02 2 427 40 40 ILE HG13 H 0.22 0.02 2 428 40 40 ILE HG2 H 0.74 0.02 1 429 40 40 ILE HD1 H 1.017 0.02 1 430 40 40 ILE C C 175.98 0.4 1 431 40 40 ILE CA C 62.405 0.4 1 432 40 40 ILE CB C 39.229 0.4 1 433 40 40 ILE CG1 C 27.969 0.4 1 434 40 40 ILE CG2 C 17.57 0.4 1 435 40 40 ILE CD1 C 15.503 0.4 1 436 40 40 ILE N N 121.394 0.4 1 437 41 41 LYS H H 8.402 0.02 1 438 41 41 LYS HA H 4.225 0.02 1 439 41 41 LYS HB2 H 0.726 0.02 2 440 41 41 LYS HB3 H -0.322 0.02 2 441 41 41 LYS HG2 H 0.802 0.02 2 442 41 41 LYS HG3 H 0.514 0.02 2 443 41 41 LYS HD2 H 1.207 0.02 2 444 41 41 LYS HD3 H 1.207 0.02 2 445 41 41 LYS HE2 H 2.767 0.02 2 446 41 41 LYS HE3 H 2.767 0.02 2 447 41 41 LYS C C 174.45 0.4 1 448 41 41 LYS CA C 53.643 0.4 1 449 41 41 LYS CB C 32.035 0.4 1 450 41 41 LYS CG C 24.044 0.4 1 451 41 41 LYS CD C 27.909 0.4 1 452 41 41 LYS CE C 42.335 0.4 1 453 41 41 LYS N N 130.827 0.4 1 454 42 42 LYS H H 8.16 0.02 1 455 42 42 LYS HA H 5.072 0.02 1 456 42 42 LYS HB2 H 1.883 0.02 2 457 42 42 LYS HB3 H 1.707 0.02 2 458 42 42 LYS HG2 H 1.446 0.02 2 459 42 42 LYS HG3 H 1.446 0.02 2 460 42 42 LYS HD2 H 1.701 0.02 2 461 42 42 LYS HD3 H 1.701 0.02 2 462 42 42 LYS HE2 H 3.002 0.02 2 463 42 42 LYS HE3 H 3.002 0.02 2 464 42 42 LYS C C 177.03 0.4 1 465 42 42 LYS CA C 55.347 0.4 1 466 42 42 LYS CB C 34.309 0.4 1 467 42 42 LYS CG C 24.592 0.4 1 468 42 42 LYS CD C 28.927 0.4 1 469 42 42 LYS CE C 41.483 0.4 1 470 42 42 LYS N N 120.168 0.4 1 471 43 43 GLU H H 8.837 0.02 1 472 43 43 GLU HA H 4.99 0.02 1 473 43 43 GLU HB2 H 2.605 0.02 2 474 43 43 GLU HB3 H 2.433 0.02 2 475 43 43 GLU HG2 H 2.845 0.02 2 476 43 43 GLU HG3 H 2.647 0.02 2 477 43 43 GLU C C 177.98 0.4 1 478 43 43 GLU CA C 54.417 0.4 1 479 43 43 GLU CB C 32.372 0.4 1 480 43 43 GLU CG C 36.5 0.4 1 481 43 43 GLU N N 122.168 0.4 1 482 44 44 ASP H H 9.145 0.02 1 483 44 44 ASP HA H 4.531 0.02 1 484 44 44 ASP HB2 H 2.821 0.02 2 485 44 44 ASP HB3 H 2.821 0.02 2 486 44 44 ASP C C 176.74 0.4 1 487 44 44 ASP CA C 56.432 0.4 1 488 44 44 ASP CB C 40.509 0.4 1 489 44 44 ASP N N 121.607 0.4 1 490 45 45 ASN H H 8.192 0.02 1 491 45 45 ASN HA H 4.746 0.02 1 492 45 45 ASN HB2 H 3.363 0.02 2 493 45 45 ASN HB3 H 3.107 0.02 2 494 45 45 ASN HD21 H 7.764 0.02 2 495 45 45 ASN HD22 H 6.991 0.02 2 496 45 45 ASN C C 175.98 0.4 1 497 45 45 ASN CA C 52.928 0.4 1 498 45 45 ASN CB C 37.838 0.4 1 499 45 45 ASN N N 115.454 0.4 1 500 45 45 ASN ND2 N 111.536 0.4 1 501 46 46 GLY H H 8.265 0.02 1 502 46 46 GLY HA2 H 4.377 0.02 2 503 46 46 GLY HA3 H 3.885 0.02 2 504 46 46 GLY C C 175.29 0.4 1 505 46 46 GLY CA C 45.332 0.4 1 506 46 46 GLY N N 106.192 0.4 1 507 47 47 PHE H H 8.165 0.02 1 508 47 47 PHE HA H 4.701 0.02 1 509 47 47 PHE HB2 H 3.595 0.02 2 510 47 47 PHE HB3 H 3.447 0.02 2 511 47 47 PHE HD1 H 7.451 0.02 3 512 47 47 PHE HD2 H 7.451 0.02 3 513 47 47 PHE HE1 H 7.115 0.02 3 514 47 47 PHE HE2 H 7.115 0.02 3 515 47 47 PHE C C 176.2 0.4 1 516 47 47 PHE CA C 60.351 0.4 1 517 47 47 PHE CB C 40.526 0.4 1 518 47 47 PHE CD1 C 132.36 0.4 1 519 47 47 PHE CE1 C 131.73 0.4 1 520 47 47 PHE N N 119.361 0.4 1 521 48 48 GLY H H 9.066 0.02 1 522 48 48 GLY HA2 H 5.692 0.02 2 523 48 48 GLY HA3 H 3.765 0.02 2 524 48 48 GLY C C 172.81 0.4 1 525 48 48 GLY CA C 43.875 0.4 1 526 48 48 GLY N N 108.865 0.4 1 527 49 49 TRP H H 8.931 0.02 1 528 49 49 TRP HA H 5.8 0.02 1 529 49 49 TRP HB2 H 1.826 0.02 2 530 49 49 TRP HB3 H 1.826 0.02 2 531 49 49 TRP HD1 H 6.45 0.02 1 532 49 49 TRP HE1 H 10.659 0.02 1 533 49 49 TRP HE3 H 6.679 0.02 1 534 49 49 TRP HZ2 H 7.305 0.02 1 535 49 49 TRP HZ3 H 6.734 0.02 1 536 49 49 TRP HH2 H 7.05 0.02 1 537 49 49 TRP C C 173.87 0.4 1 538 49 49 TRP CA C 54.556 0.4 1 539 49 49 TRP CB C 31.485 0.4 1 540 49 49 TRP CD1 C 127.885 0.4 1 541 49 49 TRP CE3 C 118.997 0.4 1 542 49 49 TRP CZ2 C 114.6 0.4 1 543 49 49 TRP CZ3 C 121.044 0.4 1 544 49 49 TRP CH2 C 123.733 0.4 1 545 49 49 TRP N N 119.173 0.4 1 546 49 49 TRP NE1 N 130.488 0.4 1 547 50 50 ILE H H 7.859 0.02 1 548 50 50 ILE HA H 3.94 0.02 1 549 50 50 ILE HB H 1.002 0.02 1 550 50 50 ILE HG12 H 0.613 0.02 2 551 50 50 ILE HG13 H 0.179 0.02 2 552 50 50 ILE HG2 H 0.441 0.02 1 553 50 50 ILE HD1 H -0.197 0.02 1 554 50 50 ILE C C 175.89 0.4 1 555 50 50 ILE CA C 59.67 0.4 1 556 50 50 ILE CB C 43.103 0.4 1 557 50 50 ILE CG1 C 27.658 0.4 1 558 50 50 ILE CG2 C 17.682 0.4 1 559 50 50 ILE CD1 C 14.731 0.4 1 560 50 50 ILE N N 114.751 0.4 1 561 51 51 ASP H H 8.586 0.02 1 562 51 51 ASP HA H 5.087 0.02 1 563 51 51 ASP HB2 H 2.98 0.02 2 564 51 51 ASP HB3 H 2.69 0.02 2 565 51 51 ASP C C 176 0.4 1 566 51 51 ASP CA C 53.713 0.4 1 567 51 51 ASP CB C 41.514 0.4 1 568 51 51 ASP N N 127.326 0.4 1 569 52 52 ILE H H 7.837 0.02 1 570 52 52 ILE HA H 4.671 0.02 1 571 52 52 ILE HB H 1.683 0.02 1 572 52 52 ILE HG12 H 0.84 0.02 2 573 52 52 ILE HG13 H 0.261 0.02 2 574 52 52 ILE HG2 H 0.205 0.02 1 575 52 52 ILE HD1 H 0.236 0.02 1 576 52 52 ILE C C 178.25 0.4 1 577 52 52 ILE CA C 59.933 0.4 1 578 52 52 ILE CB C 38.785 0.4 1 579 52 52 ILE CG1 C 26.285 0.4 1 580 52 52 ILE CG2 C 17.727 0.4 1 581 52 52 ILE CD1 C 15.246 0.4 1 582 52 52 ILE N N 117.727 0.4 1 583 53 53 GLY H H 9.02 0.02 1 584 53 53 GLY HA2 H 4.132 0.02 2 585 53 53 GLY HA3 H 3.977 0.02 2 586 53 53 GLY C C 175.78 0.4 1 587 53 53 GLY CA C 48.007 0.4 1 588 53 53 GLY N N 116.083 0.4 1 589 54 54 ASN H H 8.609 0.02 1 590 54 54 ASN HA H 4.511 0.02 1 591 54 54 ASN HB2 H 2.775 0.02 2 592 54 54 ASN HB3 H 2.775 0.02 2 593 54 54 ASN HD21 H 7.534 0.02 2 594 54 54 ASN HD22 H 6.81 0.02 2 595 54 54 ASN C C 176.36 0.4 1 596 54 54 ASN CA C 54.805 0.4 1 597 54 54 ASN CB C 37.424 0.4 1 598 54 54 ASN N N 116.449 0.4 1 599 54 54 ASN ND2 N 112.481 0.4 1 600 55 55 GLU H H 7.958 0.02 1 601 55 55 GLU HA H 4.173 0.02 1 602 55 55 GLU HB2 H 2.486 0.02 2 603 55 55 GLU HB3 H 1.984 0.02 2 604 55 55 GLU HG2 H 2.323 0.02 2 605 55 55 GLU HG3 H 2.276 0.02 2 606 55 55 GLU C C 176.36 0.4 1 607 55 55 GLU CA C 57.267 0.4 1 608 55 55 GLU CB C 28.855 0.4 1 609 55 55 GLU CG C 35.472 0.4 1 610 55 55 GLU N N 117.133 0.4 1 611 56 56 ASN H H 7.922 0.02 1 612 56 56 ASN HA H 3.979 0.02 1 613 56 56 ASN HB2 H 3.076 0.02 2 614 56 56 ASN HB3 H 2.889 0.02 2 615 56 56 ASN HD21 H 7.466 0.02 2 616 56 56 ASN HD22 H 6.797 0.02 2 617 56 56 ASN C C 172.83 0.4 1 618 56 56 ASN CA C 54.655 0.4 1 619 56 56 ASN CB C 38.008 0.4 1 620 56 56 ASN N N 115.206 0.4 1 621 56 56 ASN ND2 N 113.89 0.4 1 622 57 57 ILE H H 9.714 0.02 1 623 57 57 ILE HA H 4.25 0.02 1 624 57 57 ILE HB H 1.84 0.02 1 625 57 57 ILE HG12 H 1.715 0.02 2 626 57 57 ILE HG13 H 1.189 0.02 2 627 57 57 ILE HG2 H 1.127 0.02 1 628 57 57 ILE HD1 H 1.174 0.02 1 629 57 57 ILE C C 175.05 0.4 1 630 57 57 ILE CA C 61.741 0.4 1 631 57 57 ILE CB C 38.597 0.4 1 632 57 57 ILE CG1 C 27.731 0.4 1 633 57 57 ILE CG2 C 18.705 0.4 1 634 57 57 ILE CD1 C 14.462 0.4 1 635 57 57 ILE N N 121.161 0.4 1 636 58 58 TYR H H 8.209 0.02 1 637 58 58 TYR HA H 5.002 0.02 1 638 58 58 TYR HB2 H 2.968 0.02 2 639 58 58 TYR HB3 H 2.816 0.02 2 640 58 58 TYR HD1 H 6.852 0.02 3 641 58 58 TYR HD2 H 6.852 0.02 3 642 58 58 TYR HE1 H 6.609 0.02 3 643 58 58 TYR HE2 H 6.609 0.02 3 644 58 58 TYR C C 174.58 0.4 1 645 58 58 TYR CA C 57.069 0.4 1 646 58 58 TYR CB C 38.593 0.4 1 647 58 58 TYR CD1 C 132.437 0.4 1 648 58 58 TYR CE1 C 117.728 0.4 1 649 58 58 TYR N N 126.598 0.4 1 650 59 59 ILE H H 10.028 0.02 1 651 59 59 ILE HA H 4.794 0.02 1 652 59 59 ILE HB H 1.426 0.02 1 653 59 59 ILE HG12 H 2.02 0.02 2 654 59 59 ILE HG13 H 1.787 0.02 2 655 59 59 ILE HG2 H 0.949 0.02 1 656 59 59 ILE HD1 H 0.761 0.02 1 657 59 59 ILE C C 172.9 0.4 1 658 59 59 ILE CA C 59.314 0.4 1 659 59 59 ILE CB C 43.785 0.4 1 660 59 59 ILE CG1 C 29.762 0.4 1 661 59 59 ILE CG2 C 16.507 0.4 1 662 59 59 ILE CD1 C 17.52 0.4 1 663 59 59 ILE N N 125.856 0.4 1 664 60 60 LYS H H 7.835 0.02 1 665 60 60 LYS HA H 4.389 0.02 1 666 60 60 LYS HB2 H 2.038 0.02 2 667 60 60 LYS HB3 H 1.47 0.02 2 668 60 60 LYS HG2 H 1.43 0.02 2 669 60 60 LYS HG3 H 1.43 0.02 2 670 60 60 LYS HD2 H 1.61 0.02 2 671 60 60 LYS HD3 H 1.61 0.02 2 672 60 60 LYS HE2 H 3 0.02 2 673 60 60 LYS HE3 H 3 0.02 2 674 60 60 LYS C C 176.23 0.4 1 675 60 60 LYS CA C 57.241 0.4 1 676 60 60 LYS CB C 31.912 0.4 1 677 60 60 LYS CG C 25.076 0.4 1 678 60 60 LYS CD C 29.45 0.4 1 679 60 60 LYS CE C 42.3 0.4 1 680 60 60 LYS N N 122.082 0.4 1 681 61 61 SER H H 8.958 0.02 1 682 61 61 SER HA H 4.571 0.02 1 683 61 61 SER HB2 H 3.972 0.02 2 684 61 61 SER HB3 H 3.597 0.02 2 685 61 61 SER C C 172.36 0.4 1 686 61 61 SER CA C 57.517 0.4 1 687 61 61 SER CB C 66.612 0.4 1 688 61 61 SER N N 116.775 0.4 1 689 62 62 PHE H H 7.7 0.02 1 690 62 62 PHE HA H 4.994 0.02 1 691 62 62 PHE HB2 H 2.613 0.02 2 692 62 62 PHE HB3 H 2.448 0.02 2 693 62 62 PHE HD1 H 6.388 0.02 3 694 62 62 PHE HD2 H 6.388 0.02 3 695 62 62 PHE HE1 H 6.348 0.02 3 696 62 62 PHE HE2 H 6.348 0.02 3 697 62 62 PHE HZ H 6.066 0.02 1 698 62 62 PHE C C 173.43 0.4 1 699 62 62 PHE CA C 53.554 0.4 1 700 62 62 PHE CB C 42.162 0.4 1 701 62 62 PHE CD1 C 130.711 0.4 1 702 62 62 PHE CE1 C 130.657 0.4 1 703 62 62 PHE CZ C 128.641 0.4 1 704 62 62 PHE N N 124.393 0.4 1 705 63 63 ASN H H 8.686 0.02 1 706 63 63 ASN HA H 4.211 0.02 1 707 63 63 ASN HB2 H 2.815 0.02 2 708 63 63 ASN HB3 H 2.486 0.02 2 709 63 63 ASN HD21 H 8.19 0.02 2 710 63 63 ASN HD22 H 6.784 0.02 2 711 63 63 ASN C C 174.14 0.4 1 712 63 63 ASN CA C 51.993 0.4 1 713 63 63 ASN CB C 38.411 0.4 1 714 63 63 ASN N N 129.467 0.4 1 715 63 63 ASN ND2 N 116.459 0.4 1 716 64 64 LYS H H 8.043 0.02 1 717 64 64 LYS HA H 2.779 0.02 1 718 64 64 LYS HB2 H 1.312 0.02 2 719 64 64 LYS HB3 H 1.125 0.02 2 720 64 64 LYS HG2 H 0.877 0.02 2 721 64 64 LYS HG3 H 0.877 0.02 2 722 64 64 LYS HD2 H 1.511 0.02 2 723 64 64 LYS HD3 H 1.511 0.02 2 724 64 64 LYS HE2 H 2.947 0.02 2 725 64 64 LYS HE3 H 2.947 0.02 2 726 64 64 LYS C C 174.69 0.4 1 727 64 64 LYS CA C 57.536 0.4 1 728 64 64 LYS CB C 32.033 0.4 1 729 64 64 LYS CG C 24.31 0.4 1 730 64 64 LYS CD C 29.473 0.4 1 731 64 64 LYS CE C 41.499 0.4 1 732 64 64 LYS N N 124.641 0.4 1 733 65 65 LEU H H 7.768 0.02 1 734 65 65 LEU HA H 4.277 0.02 1 735 65 65 LEU HB2 H 1.684 0.02 2 736 65 65 LEU HB3 H 1.528 0.02 2 737 65 65 LEU HG H 1.503 0.02 1 738 65 65 LEU HD1 H 0.878 0.02 2 739 65 65 LEU HD2 H 0.827 0.02 2 740 65 65 LEU C C 178.16 0.4 1 741 65 65 LEU CA C 55.911 0.4 1 742 65 65 LEU CB C 42.05 0.4 1 743 65 65 LEU CG C 27.076 0.4 1 744 65 65 LEU CD1 C 24.256 0.4 1 745 65 65 LEU CD2 C 23.351 0.4 1 746 65 65 LEU N N 117.422 0.4 1 747 66 66 SER H H 7.619 0.02 1 748 66 66 SER HA H 4.313 0.02 1 749 66 66 SER HB2 H 3.654 0.02 2 750 66 66 SER HB3 H 3.654 0.02 2 751 66 66 SER C C 174.07 0.4 1 752 66 66 SER CA C 57.637 0.4 1 753 66 66 SER CB C 63.916 0.4 1 754 66 66 SER N N 112.217 0.4 1 755 67 67 LEU H H 7.913 0.02 1 756 67 67 LEU HA H 3.82 0.02 1 757 67 67 LEU HB2 H 2.09 0.02 2 758 67 67 LEU HB3 H 1.584 0.02 2 759 67 67 LEU HG H 1.314 0.02 1 760 67 67 LEU HD1 H 0.84 0.02 2 761 67 67 LEU HD2 H 0.671 0.02 2 762 67 67 LEU C C 175.03 0.4 1 763 67 67 LEU CA C 56.104 0.4 1 764 67 67 LEU CB C 38.08 0.4 1 765 67 67 LEU CG C 27.165 0.4 1 766 67 67 LEU CD1 C 25.302 0.4 1 767 67 67 LEU CD2 C 23.968 0.4 1 768 67 67 LEU N N 118.36 0.4 1 769 68 68 ILE H H 6.858 0.02 1 770 68 68 ILE HA H 4.624 0.02 1 771 68 68 ILE HB H 1.888 0.02 1 772 68 68 ILE HG12 H 1.078 0.02 2 773 68 68 ILE HG13 H 1.001 0.02 2 774 68 68 ILE HG2 H 0.871 0.02 1 775 68 68 ILE HD1 H 0.801 0.02 1 776 68 68 ILE C C 174.72 0.4 1 777 68 68 ILE CA C 59.469 0.4 1 778 68 68 ILE CB C 41.742 0.4 1 779 68 68 ILE CG1 C 26.033 0.4 1 780 68 68 ILE CG2 C 17.618 0.4 1 781 68 68 ILE CD1 C 13.243 0.4 1 782 68 68 ILE N N 111.201 0.4 1 783 69 69 ILE H H 8.18 0.02 1 784 69 69 ILE HA H 4.939 0.02 1 785 69 69 ILE HB H 1.726 0.02 1 786 69 69 ILE HG12 H 1.281 0.02 2 787 69 69 ILE HG13 H 0.924 0.02 2 788 69 69 ILE HG2 H 0.873 0.02 1 789 69 69 ILE HD1 H 0.553 0.02 1 790 69 69 ILE C C 175.45 0.4 1 791 69 69 ILE CA C 58.863 0.4 1 792 69 69 ILE CB C 37.013 0.4 1 793 69 69 ILE CG1 C 27.431 0.4 1 794 69 69 ILE CG2 C 17.71 0.4 1 795 69 69 ILE CD1 C 12.025 0.4 1 796 69 69 ILE N N 122.242 0.4 1 797 70 70 GLU H H 8.894 0.02 1 798 70 70 GLU HA H 4.77 0.02 1 799 70 70 GLU HB2 H 1.981 0.02 2 800 70 70 GLU HB3 H 1.701 0.02 2 801 70 70 GLU HG2 H 2.053 0.02 2 802 70 70 GLU HG3 H 1.925 0.02 2 803 70 70 GLU C C 174.5 0.4 1 804 70 70 GLU CA C 53.738 0.4 1 805 70 70 GLU CB C 34.188 0.4 1 806 70 70 GLU CG C 36.065 0.4 1 807 70 70 GLU N N 124.864 0.4 1 808 71 71 ASP H H 8.627 0.02 1 809 71 71 ASP HA H 5.27 0.02 1 810 71 71 ASP HB2 H 2.54 0.02 2 811 71 71 ASP HB3 H 2.54 0.02 2 812 71 71 ASP C C 176.05 0.4 1 813 71 71 ASP CA C 54.424 0.4 1 814 71 71 ASP CB C 41.885 0.4 1 815 71 71 ASP N N 123.346 0.4 1 816 72 72 LYS H H 9.261 0.02 1 817 72 72 LYS HA H 4.986 0.02 1 818 72 72 LYS HB2 H 2.248 0.02 2 819 72 72 LYS HB3 H 1.725 0.02 2 820 72 72 LYS HG2 H 1.449 0.02 2 821 72 72 LYS HG3 H 1.107 0.02 2 822 72 72 LYS HD2 H 1.74 0.02 2 823 72 72 LYS HD3 H 2.21 0.02 2 824 72 72 LYS HE2 H 2.88 0.02 2 825 72 72 LYS HE3 H 2.88 0.02 2 826 72 72 LYS C C 175.21 0.4 1 827 72 72 LYS CA C 52.697 0.4 1 828 72 72 LYS CB C 38.249 0.4 1 829 72 72 LYS CG C 25.789 0.4 1 830 72 72 LYS CD C 28.357 0.4 1 831 72 72 LYS N N 123.193 0.4 1 832 73 73 ARG H H 8.782 0.02 1 833 73 73 ARG HA H 3.556 0.02 1 834 73 73 ARG HB2 H 1.642 0.02 2 835 73 73 ARG HB3 H 1.104 0.02 2 836 73 73 ARG HG2 H 1.063 0.02 2 837 73 73 ARG HG3 H 0.983 0.02 2 838 73 73 ARG HD2 H 3.467 0.02 2 839 73 73 ARG HD3 H 3.127 0.02 2 840 73 73 ARG HE H 7.105 0.02 1 841 73 73 ARG C C 176.12 0.4 1 842 73 73 ARG CA C 57.096 0.4 1 843 73 73 ARG CB C 32.28 0.4 1 844 73 73 ARG CG C 27.573 0.4 1 845 73 73 ARG CD C 44.068 0.4 1 846 73 73 ARG N N 122.672 0.4 1 847 73 73 ARG NE N 85.572 0.4 1 848 74 74 ILE H H 8.8 0.02 1 849 74 74 ILE HA H 3.999 0.02 1 850 74 74 ILE HB H 1.668 0.02 1 851 74 74 ILE HG12 H 1.751 0.02 2 852 74 74 ILE HG13 H 0.587 0.02 2 853 74 74 ILE HG2 H 0.869 0.02 1 854 74 74 ILE HD1 H 0.717 0.02 1 855 74 74 ILE C C 175.34 0.4 1 856 74 74 ILE CA C 62.697 0.4 1 857 74 74 ILE CB C 38.748 0.4 1 858 74 74 ILE CG1 C 27.852 0.4 1 859 74 74 ILE CG2 C 19.743 0.4 1 860 74 74 ILE CD1 C 15.783 0.4 1 861 74 74 ILE N N 123.321 0.4 1 862 75 75 LEU H H 8.589 0.02 1 863 75 75 LEU HA H 4.331 0.02 1 864 75 75 LEU HB2 H 1.649 0.02 2 865 75 75 LEU HB3 H 1.314 0.02 2 866 75 75 LEU HG H 1.564 0.02 1 867 75 75 LEU HD1 H 0.85 0.02 2 868 75 75 LEU HD2 H 0.73 0.02 2 869 75 75 LEU C C 177.9 0.4 1 870 75 75 LEU CA C 55.395 0.4 1 871 75 75 LEU CB C 43.542 0.4 1 872 75 75 LEU CG C 26.738 0.4 1 873 75 75 LEU CD1 C 25.196 0.4 1 874 75 75 LEU CD2 C 21.351 0.4 1 875 75 75 LEU N N 124.531 0.4 1 876 76 76 ARG H H 7.422 0.02 1 877 76 76 ARG HA H 5.578 0.02 1 878 76 76 ARG HB2 H 1.559 0.02 2 879 76 76 ARG HB3 H 1.29 0.02 2 880 76 76 ARG HG2 H 1.344 0.02 2 881 76 76 ARG HG3 H 1.312 0.02 2 882 76 76 ARG HD2 H 2.471 0.02 2 883 76 76 ARG HD3 H 2.471 0.02 2 884 76 76 ARG C C 175.29 0.4 1 885 76 76 ARG CA C 54.068 0.4 1 886 76 76 ARG CB C 36.588 0.4 1 887 76 76 ARG CG C 26.36 0.4 1 888 76 76 ARG CD C 43.727 0.4 1 889 76 76 ARG N N 112.697 0.4 1 890 77 77 VAL H H 8.151 0.02 1 891 77 77 VAL HA H 5.212 0.02 1 892 77 77 VAL HB H 2.714 0.02 1 893 77 77 VAL HG1 H 1.026 0.02 2 894 77 77 VAL HG2 H 1.073 0.02 2 895 77 77 VAL C C 173.41 0.4 1 896 77 77 VAL CA C 58.91 0.4 1 897 77 77 VAL CB C 33.859 0.4 1 898 77 77 VAL CG1 C 22.758 0.4 1 899 77 77 VAL CG2 C 19.335 0.4 1 900 77 77 VAL N N 111.647 0.4 1 901 78 78 TRP H H 8.587 0.02 1 902 78 78 TRP HA H 5.951 0.02 1 903 78 78 TRP HB2 H 3.224 0.02 2 904 78 78 TRP HB3 H 2.706 0.02 2 905 78 78 TRP HD1 H 6.534 0.02 1 906 78 78 TRP HE1 H 10.221 0.02 1 907 78 78 TRP HE3 H 7.194 0.02 1 908 78 78 TRP HZ2 H 6.799 0.02 1 909 78 78 TRP HZ3 H 6.795 0.02 1 910 78 78 TRP HH2 H 6.597 0.02 1 911 78 78 TRP C C 176.34 0.4 1 912 78 78 TRP CA C 56.126 0.4 1 913 78 78 TRP CB C 32.222 0.4 1 914 78 78 TRP CD1 C 124.462 0.4 1 915 78 78 TRP CE3 C 120.088 0.4 1 916 78 78 TRP CZ2 C 113.263 0.4 1 917 78 78 TRP CZ3 C 121.727 0.4 1 918 78 78 TRP CH2 C 123.947 0.4 1 919 78 78 TRP N N 119.672 0.4 1 920 78 78 TRP NE1 N 130.302 0.4 1 921 79 79 ARG H H 9.419 0.02 1 922 79 79 ARG HA H 5.378 0.02 1 923 79 79 ARG HB2 H 1.184 0.02 2 924 79 79 ARG HB3 H 0.986 0.02 2 925 79 79 ARG HG2 H 0.869 0.02 2 926 79 79 ARG HG3 H 0.869 0.02 2 927 79 79 ARG HD2 H 2.202 0.02 2 928 79 79 ARG HD3 H 2.072 0.02 2 929 79 79 ARG HE H 6.513 0.02 1 930 79 79 ARG C C 174.65 0.4 1 931 79 79 ARG CA C 55.887 0.4 1 932 79 79 ARG CB C 36.991 0.4 1 933 79 79 ARG CG C 26.135 0.4 1 934 79 79 ARG CD C 44.034 0.4 1 935 79 79 ARG N N 120.18 0.4 1 936 79 79 ARG NE N 84.49 0.4 1 937 80 80 LYS H H 8.459 0.02 1 938 80 80 LYS HA H 4.689 0.02 1 939 80 80 LYS HB2 H 0.906 0.02 2 940 80 80 LYS HB3 H 0.906 0.02 2 941 80 80 LYS HG2 H 0.906 0.02 2 942 80 80 LYS HG3 H 0.906 0.02 2 943 80 80 LYS HD2 H 0.779 0.02 2 944 80 80 LYS HD3 H 0.779 0.02 2 945 80 80 LYS C C 174.34 0.4 1 946 80 80 LYS CA C 55.155 0.4 1 947 80 80 LYS CB C 37.077 0.4 1 948 80 80 LYS CG C 23.709 0.4 1 949 80 80 LYS CD C 29.702 0.4 1 950 80 80 LYS N N 124.947 0.4 1 951 81 81 LYS H H 8.944 0.02 1 952 81 81 LYS HA H 4.271 0.02 1 953 81 81 LYS HB2 H 1.8 0.02 2 954 81 81 LYS HB3 H 1.674 0.02 2 955 81 81 LYS HG2 H 1.271 0.02 2 956 81 81 LYS HG3 H 1.145 0.02 2 957 81 81 LYS HD2 H 1.51 0.02 2 958 81 81 LYS HD3 H 1.51 0.02 2 959 81 81 LYS HE2 H 2.88 0.02 2 960 81 81 LYS HE3 H 2.88 0.02 2 961 81 81 LYS C C 174.83 0.4 1 962 81 81 LYS CA C 57.171 0.4 1 963 81 81 LYS CB C 32.622 0.4 1 964 81 81 LYS CG C 24.911 0.4 1 965 81 81 LYS CD C 28.63 0.4 1 966 81 81 LYS CE C 42 0.4 1 967 81 81 LYS N N 127.083 0.4 1 968 82 82 TYR H H 9.047 0.02 1 969 82 82 TYR HA H 4.752 0.02 1 970 82 82 TYR HB2 H 2.635 0.02 2 971 82 82 TYR HB3 H 2.635 0.02 2 972 82 82 TYR HD1 H 6.888 0.02 3 973 82 82 TYR HD2 H 6.888 0.02 3 974 82 82 TYR HE1 H 6.586 0.02 3 975 82 82 TYR HE2 H 6.586 0.02 3 976 82 82 TYR C C 172.63 0.4 1 977 82 82 TYR CA C 58.29 0.4 1 978 82 82 TYR CB C 45.17 0.4 1 979 82 82 TYR CD1 C 132.436 0.4 1 980 82 82 TYR CE1 C 117.995 0.4 1 981 82 82 TYR N N 127.438 0.4 1 982 83 83 SER H H 7.363 0.02 1 983 83 83 SER HA H 5.158 0.02 1 984 83 83 SER HB2 H 3.606 0.02 2 985 83 83 SER HB3 H 3.606 0.02 2 986 83 83 SER C C 173.07 0.4 1 987 83 83 SER CA C 55.905 0.4 1 988 83 83 SER CB C 64.379 0.4 1 989 83 83 SER N N 122.097 0.4 1 990 84 84 GLY H H 8.471 0.02 1 991 84 84 GLY HA2 H 4.016 0.02 2 992 84 84 GLY HA3 H 3.887 0.02 2 993 84 84 GLY C C 171.99 0.4 1 994 84 84 GLY CA C 45.222 0.4 1 995 84 84 GLY N N 113.468 0.4 1 996 85 85 LYS H H 8.642 0.02 1 997 85 85 LYS HA H 5.486 0.02 1 998 85 85 LYS HB2 H 1.938 0.02 2 999 85 85 LYS HB3 H 1.726 0.02 2 1000 85 85 LYS HG2 H 1.537 0.02 2 1001 85 85 LYS HG3 H 1.537 0.02 2 1002 85 85 LYS HD2 H 1.75 0.02 2 1003 85 85 LYS HD3 H 1.75 0.02 2 1004 85 85 LYS HE2 H 2.959 0.02 2 1005 85 85 LYS HE3 H 2.959 0.02 2 1006 85 85 LYS C C 178.45 0.4 1 1007 85 85 LYS CA C 54.823 0.4 1 1008 85 85 LYS CB C 34.308 0.4 1 1009 85 85 LYS CG C 25.137 0.4 1 1010 85 85 LYS CD C 28.2 0.4 1 1011 85 85 LYS CE C 42.003 0.4 1 1012 85 85 LYS N N 119.115 0.4 1 1013 86 86 LEU H H 9.305 0.02 1 1014 86 86 LEU HA H 4.649 0.02 1 1015 86 86 LEU HB2 H 1.284 0.02 2 1016 86 86 LEU HB3 H 1.237 0.02 2 1017 86 86 LEU HG H 1.387 0.02 1 1018 86 86 LEU HD1 H -0.023 0.02 2 1019 86 86 LEU HD2 H 0.433 0.02 2 1020 86 86 LEU C C 174.63 0.4 1 1021 86 86 LEU CA C 53.353 0.4 1 1022 86 86 LEU CB C 45.089 0.4 1 1023 86 86 LEU CG C 27.376 0.4 1 1024 86 86 LEU CD1 C 27.555 0.4 1 1025 86 86 LEU CD2 C 24.453 0.4 1 1026 86 86 LEU N N 123.353 0.4 1 1027 87 87 ILE H H 8.894 0.02 1 1028 87 87 ILE HA H 4.705 0.02 1 1029 87 87 ILE HB H 1.675 0.02 1 1030 87 87 ILE HG12 H 1.07 0.02 2 1031 87 87 ILE HG13 H 1.07 0.02 2 1032 87 87 ILE HG2 H 0.661 0.02 1 1033 87 87 ILE HD1 H 0.654 0.02 1 1034 87 87 ILE C C 173.45 0.4 1 1035 87 87 ILE CA C 58.324 0.4 1 1036 87 87 ILE CB C 38.318 0.4 1 1037 87 87 ILE CG1 C 27.594 0.4 1 1038 87 87 ILE CG2 C 17.445 0.4 1 1039 87 87 ILE CD1 C 10.73 0.4 1 1040 87 87 ILE N N 120.62 0.4 1 1041 88 88 LYS H H 9.124 0.02 1 1042 88 88 LYS HA H 5.571 0.02 1 1043 88 88 LYS HB2 H 1.514 0.02 2 1044 88 88 LYS HB3 H 1.514 0.02 2 1045 88 88 LYS HG2 H 1.319 0.02 2 1046 88 88 LYS HG3 H 1.053 0.02 2 1047 88 88 LYS HD2 H 1.46 0.02 2 1048 88 88 LYS HD3 H 1.46 0.02 2 1049 88 88 LYS HE2 H 2.718 0.02 2 1050 88 88 LYS HE3 H 2.718 0.02 2 1051 88 88 LYS C C 176.8 0.4 1 1052 88 88 LYS CA C 54.102 0.4 1 1053 88 88 LYS CB C 36.032 0.4 1 1054 88 88 LYS CG C 24.203 0.4 1 1055 88 88 LYS CD C 29.633 0.4 1 1056 88 88 LYS CE C 42.03 0.4 1 1057 88 88 LYS N N 126.603 0.4 1 1058 89 89 ILE H H 8.931 0.02 1 1059 89 89 ILE HA H 4.543 0.02 1 1060 89 89 ILE HB H 1.4 0.02 1 1061 89 89 ILE HG12 H 1.51 0.02 2 1062 89 89 ILE HG13 H 0.814 0.02 2 1063 89 89 ILE HG2 H 0.84 0.02 1 1064 89 89 ILE HD1 H 0.617 0.02 1 1065 89 89 ILE C C 174.43 0.4 1 1066 89 89 ILE CA C 60.73 0.4 1 1067 89 89 ILE CB C 40.984 0.4 1 1068 89 89 ILE CG1 C 28.014 0.4 1 1069 89 89 ILE CG2 C 17.944 0.4 1 1070 89 89 ILE CD1 C 13.131 0.4 1 1071 89 89 ILE N N 131.364 0.4 1 1072 90 90 THR H H 8.575 0.02 1 1073 90 90 THR HA H 5.698 0.02 1 1074 90 90 THR HB H 3.868 0.02 1 1075 90 90 THR HG2 H 1.386 0.02 1 1076 90 90 THR C C 175.92 0.4 1 1077 90 90 THR CA C 61.591 0.4 1 1078 90 90 THR CB C 71.02 0.4 1 1079 90 90 THR CG2 C 21.016 0.4 1 1080 90 90 THR N N 120.562 0.4 1 1081 91 91 THR H H 9.026 0.02 1 1082 91 91 THR HA H 5.391 0.02 1 1083 91 91 THR HB H 4.395 0.02 1 1084 91 91 THR HG2 H 1.08 0.02 1 1085 91 91 THR C C 176.29 0.4 1 1086 91 91 THR CA C 59.905 0.4 1 1087 91 91 THR CB C 70.187 0.4 1 1088 91 91 THR CG2 C 23.272 0.4 1 1089 91 91 THR N N 116.631 0.4 1 1090 92 92 LYS H H 9.01 0.02 1 1091 92 92 LYS HA H 3.94 0.02 1 1092 92 92 LYS HB2 H 2.282 0.02 2 1093 92 92 LYS HB3 H 1.8 0.02 2 1094 92 92 LYS HG2 H 1.495 0.02 2 1095 92 92 LYS HG3 H 1.495 0.02 2 1096 92 92 LYS HD2 H 1.743 0.02 2 1097 92 92 LYS HD3 H 1.743 0.02 2 1098 92 92 LYS HE2 H 2.997 0.02 2 1099 92 92 LYS HE3 H 2.997 0.02 2 1100 92 92 LYS C C 177.74 0.4 1 1101 92 92 LYS CA C 59.693 0.4 1 1102 92 92 LYS CB C 33.118 0.4 1 1103 92 92 LYS CG C 24.69 0.4 1 1104 92 92 LYS CD C 29.381 0.4 1 1105 92 92 LYS CE C 42.03 0.4 1 1106 92 92 LYS N N 123.108 0.4 1 1107 93 93 ASN H H 9.413 0.02 1 1108 93 93 ASN HA H 4.884 0.02 1 1109 93 93 ASN HB2 H 3.001 0.02 2 1110 93 93 ASN HB3 H 2.873 0.02 2 1111 93 93 ASN HD21 H 7.845 0.02 2 1112 93 93 ASN HD22 H 6.824 0.02 2 1113 93 93 ASN C C 173.54 0.4 1 1114 93 93 ASN CA C 53.672 0.4 1 1115 93 93 ASN CB C 37.272 0.4 1 1116 93 93 ASN N N 116.751 0.4 1 1117 93 93 ASN ND2 N 113.831 0.4 1 1118 94 94 ARG H H 8.084 0.02 1 1119 94 94 ARG HA H 3.785 0.02 1 1120 94 94 ARG HB2 H 2.135 0.02 2 1121 94 94 ARG HB3 H 2.083 0.02 2 1122 94 94 ARG HG2 H 1.601 0.02 2 1123 94 94 ARG HG3 H 1.601 0.02 2 1124 94 94 ARG HD2 H 3.226 0.02 2 1125 94 94 ARG HD3 H 3.226 0.02 2 1126 94 94 ARG HE H 7.165 0.02 1 1127 94 94 ARG C C 176.49 0.4 1 1128 94 94 ARG CA C 57.191 0.4 1 1129 94 94 ARG CB C 25.563 0.4 1 1130 94 94 ARG CG C 27.375 0.4 1 1131 94 94 ARG CD C 42.97 0.4 1 1132 94 94 ARG N N 111.876 0.4 1 1133 94 94 ARG NE N 83.708 0.4 1 1134 95 95 ARG H H 7.515 0.02 1 1135 95 95 ARG HA H 4.455 0.02 1 1136 95 95 ARG HB2 H 1.65 0.02 2 1137 95 95 ARG HB3 H 1.258 0.02 2 1138 95 95 ARG HG2 H 1.47 0.02 2 1139 95 95 ARG HG3 H 1.264 0.02 2 1140 95 95 ARG HD2 H 2.882 0.02 2 1141 95 95 ARG HD3 H 2.603 0.02 2 1142 95 95 ARG C C 175.49 0.4 1 1143 95 95 ARG CA C 55.685 0.4 1 1144 95 95 ARG CB C 29.834 0.4 1 1145 95 95 ARG CG C 27.176 0.4 1 1146 95 95 ARG CD C 43.356 0.4 1 1147 95 95 ARG N N 118.029 0.4 1 1148 96 96 GLU H H 6.98 0.02 1 1149 96 96 GLU HA H 6.184 0.02 1 1150 96 96 GLU HB2 H 2.07 0.02 2 1151 96 96 GLU HB3 H 1.904 0.02 2 1152 96 96 GLU HG2 H 2.367 0.02 2 1153 96 96 GLU HG3 H 2.242 0.02 2 1154 96 96 GLU C C 174.23 0.4 1 1155 96 96 GLU CA C 54.475 0.4 1 1156 96 96 GLU CB C 34.805 0.4 1 1157 96 96 GLU CG C 36.202 0.4 1 1158 96 96 GLU N N 119.347 0.4 1 1159 97 97 ILE H H 8.356 0.02 1 1160 97 97 ILE HA H 4.886 0.02 1 1161 97 97 ILE HB H 1.802 0.02 1 1162 97 97 ILE HG12 H 1.496 0.02 2 1163 97 97 ILE HG13 H 0.852 0.02 2 1164 97 97 ILE HG2 H 0.655 0.02 1 1165 97 97 ILE HD1 H -0.145 0.02 1 1166 97 97 ILE C C 171.28 0.4 1 1167 97 97 ILE CA C 60.969 0.4 1 1168 97 97 ILE CB C 40.335 0.4 1 1169 97 97 ILE CG1 C 28.499 0.4 1 1170 97 97 ILE CG2 C 14.623 0.4 1 1171 97 97 ILE CD1 C 13.221 0.4 1 1172 97 97 ILE N N 122.013 0.4 1 1173 98 98 THR H H 7.551 0.02 1 1174 98 98 THR HA H 5.553 0.02 1 1175 98 98 THR HB H 4.004 0.02 1 1176 98 98 THR HG2 H 0.946 0.02 1 1177 98 98 THR C C 173.14 0.4 1 1178 98 98 THR CA C 61.375 0.4 1 1179 98 98 THR CB C 68.952 0.4 1 1180 98 98 THR CG2 C 22.966 0.4 1 1181 98 98 THR N N 123.872 0.4 1 1182 99 99 LEU H H 9.484 0.02 1 1183 99 99 LEU HA H 4.989 0.02 1 1184 99 99 LEU HB2 H 1.911 0.02 2 1185 99 99 LEU HB3 H 1.537 0.02 2 1186 99 99 LEU HG H 1.876 0.02 1 1187 99 99 LEU HD1 H 0.416 0.02 2 1188 99 99 LEU HD2 H 0.612 0.02 2 1189 99 99 LEU C C 174.12 0.4 1 1190 99 99 LEU CA C 54.064 0.4 1 1191 99 99 LEU CB C 43.853 0.4 1 1192 99 99 LEU CG C 26.324 0.4 1 1193 99 99 LEU CD1 C 26.156 0.4 1 1194 99 99 LEU CD2 C 24.446 0.4 1 1195 99 99 LEU N N 125.58 0.4 1 1196 100 100 THR H H 8.808 0.02 1 1197 100 100 THR HA H 4.342 0.02 1 1198 100 100 THR HB H 4.575 0.02 1 1199 100 100 THR HG2 H 0.937 0.02 1 1200 100 100 THR C C 176.09 0.4 1 1201 100 100 THR CA C 62.107 0.4 1 1202 100 100 THR CB C 71.096 0.4 1 1203 100 100 THR CG2 C 23.427 0.4 1 1204 100 100 THR N N 109.234 0.4 1 1205 101 101 HIS H H 8.836 0.02 1 1206 101 101 HIS HA H 3.977 0.02 1 1207 101 101 HIS HB2 H 3.257 0.02 2 1208 101 101 HIS HB3 H 3.257 0.02 2 1209 101 101 HIS HD2 H 7.398 0.02 1 1210 101 101 HIS C C 173.45 0.4 1 1211 101 101 HIS CA C 58.771 0.4 1 1212 101 101 HIS CB C 29.396 0.4 1 1213 101 101 HIS CD2 C 120.2 0.4 1 1214 101 101 HIS N N 116.025 0.4 1 1215 102 102 ASP H H 7.856 0.02 1 1216 102 102 ASP HA H 4.16 0.02 1 1217 102 102 ASP HB2 H 2.777 0.02 2 1218 102 102 ASP HB3 H 1.921 0.02 2 1219 102 102 ASP C C 174.01 0.4 1 1220 102 102 ASP CA C 51.014 0.4 1 1221 102 102 ASP CB C 38.929 0.4 1 1222 102 102 ASP N N 112.014 0.4 1 1223 103 103 HIS H H 7.664 0.02 1 1224 103 103 HIS HA H 4.48 0.02 1 1225 103 103 HIS HB2 H 3.238 0.02 2 1226 103 103 HIS HB3 H 3.238 0.02 2 1227 103 103 HIS CA C 54.061 0.4 1 1228 103 103 HIS CB C 29.616 0.4 1 1229 103 103 HIS N N 120.263 0.4 1 1230 104 104 PRO HA H 5.114 0.02 1 1231 104 104 PRO HB2 H 1.987 0.02 2 1232 104 104 PRO HB3 H 1.695 0.02 2 1233 104 104 PRO HG2 H 1.773 0.02 2 1234 104 104 PRO HG3 H 1.743 0.02 2 1235 104 104 PRO HD2 H 4.085 0.02 2 1236 104 104 PRO HD3 H 2.991 0.02 2 1237 104 104 PRO C C 177.62 0.4 1 1238 104 104 PRO CA C 63 0.4 1 1239 104 104 PRO CB C 32.301 0.4 1 1240 104 104 PRO CG C 27.5 0.4 1 1241 104 104 PRO CD C 51.851 0.4 1 1242 105 105 VAL H H 8.857 0.02 1 1243 105 105 VAL HA H 4.342 0.02 1 1244 105 105 VAL HB H 2.613 0.02 1 1245 105 105 VAL HG1 H 0.812 0.02 2 1246 105 105 VAL HG2 H 0.614 0.02 2 1247 105 105 VAL C C 171.99 0.4 1 1248 105 105 VAL CA C 60.046 0.4 1 1249 105 105 VAL CB C 33.787 0.4 1 1250 105 105 VAL CG1 C 22.307 0.4 1 1251 105 105 VAL CG2 C 18.419 0.4 1 1252 105 105 VAL N N 119.172 0.4 1 1253 106 106 TYR H H 8.747 0.02 1 1254 106 106 TYR HA H 5.69 0.02 1 1255 106 106 TYR HB2 H 2.896 0.02 2 1256 106 106 TYR HB3 H 2.854 0.02 2 1257 106 106 TYR HD1 H 6.9 0.02 3 1258 106 106 TYR HD2 H 6.9 0.02 3 1259 106 106 TYR HE1 H 6.58 0.02 3 1260 106 106 TYR HE2 H 6.58 0.02 3 1261 106 106 TYR C C 175.18 0.4 1 1262 106 106 TYR CA C 57.422 0.4 1 1263 106 106 TYR CB C 41.083 0.4 1 1264 106 106 TYR CD1 C 132.732 0.4 1 1265 106 106 TYR CE1 C 117.802 0.4 1 1266 106 106 TYR N N 116.35 0.4 1 1267 107 107 ILE H H 9.14 0.02 1 1268 107 107 ILE HA H 5.573 0.02 1 1269 107 107 ILE HB H 2.236 0.02 1 1270 107 107 ILE HG12 H 1.368 0.02 2 1271 107 107 ILE HG13 H 1.123 0.02 2 1272 107 107 ILE HG2 H 0.878 0.02 1 1273 107 107 ILE HD1 H 0.87 0.02 1 1274 107 107 ILE C C 174.98 0.4 1 1275 107 107 ILE CA C 58.386 0.4 1 1276 107 107 ILE CB C 41.915 0.4 1 1277 107 107 ILE CG1 C 25.649 0.4 1 1278 107 107 ILE CG2 C 16.368 0.4 1 1279 107 107 ILE CD1 C 14.455 0.4 1 1280 107 107 ILE N N 116.912 0.4 1 1281 108 108 SER H H 8.15 0.02 1 1282 108 108 SER HA H 5.3 0.02 1 1283 108 108 SER HB2 H 3.635 0.02 2 1284 108 108 SER HB3 H 3.545 0.02 2 1285 108 108 SER C C 175.65 0.4 1 1286 108 108 SER CA C 56.219 0.4 1 1287 108 108 SER CB C 65.137 0.4 1 1288 108 108 SER N N 113.139 0.4 1 1289 109 109 LYS H H 9.001 0.02 1 1290 109 109 LYS HA H 4.756 0.02 1 1291 109 109 LYS HB2 H 1.934 0.02 2 1292 109 109 LYS HB3 H 1.708 0.02 2 1293 109 109 LYS HG2 H 1.485 0.02 2 1294 109 109 LYS HG3 H 1.485 0.02 2 1295 109 109 LYS HD2 H 1.76 0.02 2 1296 109 109 LYS HD3 H 1.76 0.02 2 1297 109 109 LYS HE2 H 2.979 0.02 2 1298 109 109 LYS HE3 H 2.979 0.02 2 1299 109 109 LYS C C 176.54 0.4 1 1300 109 109 LYS CA C 55.777 0.4 1 1301 109 109 LYS CB C 34.633 0.4 1 1302 109 109 LYS CG C 24.747 0.4 1 1303 109 109 LYS CD C 29.033 0.4 1 1304 109 109 LYS CE C 42.079 0.4 1 1305 109 109 LYS N N 129.43 0.4 1 1306 110 110 THR H H 9.383 0.02 1 1307 110 110 THR HA H 3.947 0.02 1 1308 110 110 THR HB H 4.457 0.02 1 1309 110 110 THR HG2 H 1.266 0.02 1 1310 110 110 THR C C 174.61 0.4 1 1311 110 110 THR CA C 61.61 0.4 1 1312 110 110 THR CB C 68.45 0.4 1 1313 110 110 THR CG2 C 22.643 0.4 1 1314 110 110 THR N N 119.57 0.4 1 1315 111 111 GLY H H 8.181 0.02 1 1316 111 111 GLY HA2 H 4.227 0.02 2 1317 111 111 GLY HA3 H 3.607 0.02 2 1318 111 111 GLY C C 173.78 0.4 1 1319 111 111 GLY CA C 45.375 0.4 1 1320 111 111 GLY N N 106.427 0.4 1 1321 112 112 GLU H H 8.144 0.02 1 1322 112 112 GLU HA H 4.704 0.02 1 1323 112 112 GLU HB2 H 2.091 0.02 2 1324 112 112 GLU HB3 H 2.047 0.02 2 1325 112 112 GLU HG2 H 2.331 0.02 2 1326 112 112 GLU HG3 H 2.25 0.02 2 1327 112 112 GLU C C 175.54 0.4 1 1328 112 112 GLU CA C 54.444 0.4 1 1329 112 112 GLU CB C 31.872 0.4 1 1330 112 112 GLU CG C 35.665 0.4 1 1331 112 112 GLU N N 120.324 0.4 1 1332 113 113 VAL H H 8.611 0.02 1 1333 113 113 VAL HA H 4.361 0.02 1 1334 113 113 VAL HB H 2.086 0.02 1 1335 113 113 VAL HG1 H 0.848 0.02 2 1336 113 113 VAL HG2 H 0.902 0.02 2 1337 113 113 VAL C C 175.34 0.4 1 1338 113 113 VAL CA C 62.943 0.4 1 1339 113 113 VAL CB C 31.554 0.4 1 1340 113 113 VAL CG1 C 21.806 0.4 1 1341 113 113 VAL CG2 C 20.69 0.4 1 1342 113 113 VAL N N 123.457 0.4 1 1343 114 114 LEU H H 9.486 0.02 1 1344 114 114 LEU HA H 4.773 0.02 1 1345 114 114 LEU HB2 H 1.773 0.02 2 1346 114 114 LEU HB3 H 1.494 0.02 2 1347 114 114 LEU HG H 1.504 0.02 1 1348 114 114 LEU HD1 H 0.89 0.02 2 1349 114 114 LEU HD2 H 0.954 0.02 2 1350 114 114 LEU C C 174.47 0.4 1 1351 114 114 LEU CA C 53.96 0.4 1 1352 114 114 LEU CB C 44.158 0.4 1 1353 114 114 LEU CG C 27.073 0.4 1 1354 114 114 LEU CD1 C 24.887 0.4 1 1355 114 114 LEU CD2 C 24.267 0.4 1 1356 114 114 LEU N N 131.667 0.4 1 1357 115 115 GLU H H 8.464 0.02 1 1358 115 115 GLU HA H 4.575 0.02 1 1359 115 115 GLU HB2 H 2.135 0.02 2 1360 115 115 GLU HB3 H 1.935 0.02 2 1361 115 115 GLU HG2 H 1.907 0.02 2 1362 115 115 GLU HG3 H 1.69 0.02 2 1363 115 115 GLU C C 175.25 0.4 1 1364 115 115 GLU CA C 55.351 0.4 1 1365 115 115 GLU CB C 31.343 0.4 1 1366 115 115 GLU CG C 37.361 0.4 1 1367 115 115 GLU N N 127.754 0.4 1 1368 116 116 ILE H H 8.725 0.02 1 1369 116 116 ILE HA H 4.595 0.02 1 1370 116 116 ILE HB H 1.565 0.02 1 1371 116 116 ILE HG12 H 1.388 0.02 2 1372 116 116 ILE HG13 H 1.045 0.02 2 1373 116 116 ILE HG2 H 0.744 0.02 1 1374 116 116 ILE HD1 H 0.723 0.02 1 1375 116 116 ILE C C 173.27 0.4 1 1376 116 116 ILE CA C 58.743 0.4 1 1377 116 116 ILE CB C 42.831 0.4 1 1378 116 116 ILE CG1 C 27.011 0.4 1 1379 116 116 ILE CG2 C 16.862 0.4 1 1380 116 116 ILE CD1 C 14.788 0.4 1 1381 116 116 ILE N N 125.838 0.4 1 1382 117 117 ASN H H 8.3 0.02 1 1383 117 117 ASN HA H 4.182 0.02 1 1384 117 117 ASN HB2 H 3.298 0.02 2 1385 117 117 ASN HB3 H 2.61 0.02 2 1386 117 117 ASN HD21 H 7.644 0.02 2 1387 117 117 ASN HD22 H 6.605 0.02 2 1388 117 117 ASN C C 177.34 0.4 1 1389 117 117 ASN CA C 53.505 0.4 1 1390 117 117 ASN CB C 37.752 0.4 1 1391 117 117 ASN N N 123.512 0.4 1 1392 117 117 ASN ND2 N 107.806 0.4 1 1393 118 118 ALA H H 7.861 0.02 1 1394 118 118 ALA HA H 3.84 0.02 1 1395 118 118 ALA HB H 1.459 0.02 1 1396 118 118 ALA C C 178.56 0.4 1 1397 118 118 ALA CA C 55.985 0.4 1 1398 118 118 ALA CB C 18.579 0.4 1 1399 118 118 ALA N N 123.703 0.4 1 1400 119 119 GLU H H 8.395 0.02 1 1401 119 119 GLU HA H 4.105 0.02 1 1402 119 119 GLU HB2 H 2.382 0.02 2 1403 119 119 GLU HB3 H 2.043 0.02 2 1404 119 119 GLU HG2 H 2.303 0.02 2 1405 119 119 GLU HG3 H 2.131 0.02 2 1406 119 119 GLU C C 175.87 0.4 1 1407 119 119 GLU CA C 57.393 0.4 1 1408 119 119 GLU CB C 28.839 0.4 1 1409 119 119 GLU CG C 34.185 0.4 1 1410 119 119 GLU N N 109.652 0.4 1 1411 120 120 MET H H 8.177 0.02 1 1412 120 120 MET HA H 4.52 0.02 1 1413 120 120 MET HB2 H 2.308 0.02 2 1414 120 120 MET HB3 H 2.146 0.02 2 1415 120 120 MET HG2 H 2.726 0.02 2 1416 120 120 MET HG3 H 2.496 0.02 2 1417 120 120 MET C C 176.49 0.4 1 1418 120 120 MET CA C 54.341 0.4 1 1419 120 120 MET CB C 32.371 0.4 1 1420 120 120 MET CG C 32.929 0.4 1 1421 120 120 MET N N 117.11 0.4 1 1422 121 121 VAL H H 7.375 0.02 1 1423 121 121 VAL HA H 3.64 0.02 1 1424 121 121 VAL HB H 2.08 0.02 1 1425 121 121 VAL HG1 H 0.93 0.02 2 1426 121 121 VAL HG2 H 0.871 0.02 2 1427 121 121 VAL C C 173.96 0.4 1 1428 121 121 VAL CA C 63.933 0.4 1 1429 121 121 VAL CB C 31.386 0.4 1 1430 121 121 VAL CG1 C 22.789 0.4 1 1431 121 121 VAL CG2 C 24.232 0.4 1 1432 121 121 VAL N N 123.398 0.4 1 1433 122 122 LYS H H 8.932 0.02 1 1434 122 122 LYS HA H 4.688 0.02 1 1435 122 122 LYS HB2 H 1.684 0.02 2 1436 122 122 LYS HB3 H 1.684 0.02 2 1437 122 122 LYS HG2 H 1.433 0.02 2 1438 122 122 LYS HG3 H 1.433 0.02 2 1439 122 122 LYS HD2 H 1.696 0.02 2 1440 122 122 LYS HD3 H 1.696 0.02 2 1441 122 122 LYS HE2 H 3.035 0.02 2 1442 122 122 LYS HE3 H 3.035 0.02 2 1443 122 122 LYS C C 176.34 0.4 1 1444 122 122 LYS CA C 53.478 0.4 1 1445 122 122 LYS CB C 35.51 0.4 1 1446 122 122 LYS CG C 24.056 0.4 1 1447 122 122 LYS CD C 28.803 0.4 1 1448 122 122 LYS CE C 42.077 0.4 1 1449 122 122 LYS N N 126.925 0.4 1 1450 123 123 VAL H H 8.185 0.02 1 1451 123 123 VAL HA H 3.241 0.02 1 1452 123 123 VAL HB H 1.883 0.02 1 1453 123 123 VAL HG1 H 0.941 0.02 2 1454 123 123 VAL HG2 H 0.926 0.02 2 1455 123 123 VAL C C 177.49 0.4 1 1456 123 123 VAL CA C 65.394 0.4 1 1457 123 123 VAL CB C 31.203 0.4 1 1458 123 123 VAL CG1 C 22.727 0.4 1 1459 123 123 VAL CG2 C 21.22 0.4 1 1460 123 123 VAL N N 119.644 0.4 1 1461 124 124 GLY H H 8.902 0.02 1 1462 124 124 GLY HA2 H 4.451 0.02 2 1463 124 124 GLY HA3 H 3.696 0.02 2 1464 124 124 GLY C C 174.61 0.4 1 1465 124 124 GLY CA C 44.407 0.4 1 1466 124 124 GLY N N 117.218 0.4 1 1467 125 125 ASP H H 7.959 0.02 1 1468 125 125 ASP HA H 4.646 0.02 1 1469 125 125 ASP HB2 H 2.848 0.02 2 1470 125 125 ASP HB3 H 2.471 0.02 2 1471 125 125 ASP C C 174.78 0.4 1 1472 125 125 ASP CA C 55.108 0.4 1 1473 125 125 ASP CB C 41.51 0.4 1 1474 125 125 ASP N N 120.572 0.4 1 1475 126 126 TYR H H 9.143 0.02 1 1476 126 126 TYR HA H 5.154 0.02 1 1477 126 126 TYR HB2 H 2.947 0.02 2 1478 126 126 TYR HB3 H 2.68 0.02 2 1479 126 126 TYR HD1 H 7.009 0.02 3 1480 126 126 TYR HD2 H 7.009 0.02 3 1481 126 126 TYR HE1 H 6.846 0.02 3 1482 126 126 TYR HE2 H 6.846 0.02 3 1483 126 126 TYR C C 173.41 0.4 1 1484 126 126 TYR CA C 56.935 0.4 1 1485 126 126 TYR CB C 39.16 0.4 1 1486 126 126 TYR CD1 C 132.24 0.4 1 1487 126 126 TYR CE1 C 118.478 0.4 1 1488 126 126 TYR N N 119.636 0.4 1 1489 127 127 ILE H H 9.041 0.02 1 1490 127 127 ILE HA H 5.145 0.02 1 1491 127 127 ILE HB H 1.321 0.02 1 1492 127 127 ILE HG12 H 2.35 0.02 2 1493 127 127 ILE HG13 H 1.406 0.02 2 1494 127 127 ILE HG2 H 1.003 0.02 1 1495 127 127 ILE HD1 H 0.856 0.02 1 1496 127 127 ILE C C 173.96 0.4 1 1497 127 127 ILE CA C 58.315 0.4 1 1498 127 127 ILE CB C 43.993 0.4 1 1499 127 127 ILE CG1 C 29.782 0.4 1 1500 127 127 ILE CG2 C 16.713 0.4 1 1501 127 127 ILE CD1 C 14.679 0.4 1 1502 127 127 ILE N N 123.863 0.4 1 1503 128 128 TYR H H 8.535 0.02 1 1504 128 128 TYR HA H 4.787 0.02 1 1505 128 128 TYR HB2 H 2.724 0.02 2 1506 128 128 TYR HB3 H 2.126 0.02 2 1507 128 128 TYR HD1 H 6.838 0.02 3 1508 128 128 TYR HD2 H 6.838 0.02 3 1509 128 128 TYR HE1 H 6.615 0.02 3 1510 128 128 TYR HE2 H 6.615 0.02 3 1511 128 128 TYR C C 176.87 0.4 1 1512 128 128 TYR CA C 60.569 0.4 1 1513 128 128 TYR CB C 38.425 0.4 1 1514 128 128 TYR CD1 C 132.812 0.4 1 1515 128 128 TYR CE1 C 117.719 0.4 1 1516 128 128 TYR N N 124.465 0.4 1 1517 129 129 ILE H H 8.599 0.02 1 1518 129 129 ILE HA H 4.626 0.02 1 1519 129 129 ILE HB H 1.71 0.02 1 1520 129 129 ILE HG12 H 1.267 0.02 2 1521 129 129 ILE HG13 H 0.658 0.02 2 1522 129 129 ILE HG2 H 0.617 0.02 1 1523 129 129 ILE HD1 H 0.482 0.02 1 1524 129 129 ILE CA C 56.748 0.4 1 1525 129 129 ILE CB C 41.034 0.4 1 1526 129 129 ILE CG1 C 24.446 0.4 1 1527 129 129 ILE CG2 C 20.13 0.4 1 1528 129 129 ILE CD1 C 14.199 0.4 1 1529 129 129 ILE N N 115.798 0.4 1 1530 130 130 PRO HA H 4.914 0.02 1 1531 130 130 PRO HB2 H 1.916 0.02 2 1532 130 130 PRO HB3 H 1.492 0.02 2 1533 130 130 PRO HG2 H 1.899 0.02 2 1534 130 130 PRO HG3 H 1.734 0.02 2 1535 130 130 PRO HD2 H 3.534 0.02 2 1536 130 130 PRO HD3 H 2.831 0.02 2 1537 130 130 PRO C C 176.05 0.4 1 1538 130 130 PRO CA C 61.198 0.4 1 1539 130 130 PRO CB C 31.784 0.4 1 1540 130 130 PRO CG C 27.882 0.4 1 1541 130 130 PRO CD C 48.819 0.4 1 1542 131 131 LYS H H 8.911 0.02 1 1543 131 131 LYS HA H 4.309 0.02 1 1544 131 131 LYS HB2 H 1.597 0.02 2 1545 131 131 LYS HB3 H 1.324 0.02 2 1546 131 131 LYS HG2 H 1.178 0.02 2 1547 131 131 LYS HG3 H 1.178 0.02 2 1548 131 131 LYS HD2 H 1.529 0.02 2 1549 131 131 LYS HD3 H 1.445 0.02 2 1550 131 131 LYS HE2 H 2.854 0.02 2 1551 131 131 LYS HE3 H 2.854 0.02 2 1552 131 131 LYS C C 175.8 0.4 1 1553 131 131 LYS CA C 55.927 0.4 1 1554 131 131 LYS CB C 34.318 0.4 1 1555 131 131 LYS CG C 24.769 0.4 1 1556 131 131 LYS CD C 29.042 0.4 1 1557 131 131 LYS CE C 41.979 0.4 1 1558 131 131 LYS N N 122.092 0.4 1 1559 132 132 ASN H H 9.899 0.02 1 1560 132 132 ASN HA H 4.244 0.02 1 1561 132 132 ASN HB2 H 3.011 0.02 2 1562 132 132 ASN HB3 H 2.805 0.02 2 1563 132 132 ASN HD21 H 7.564 0.02 2 1564 132 132 ASN HD22 H 6.937 0.02 2 1565 132 132 ASN C C 174.58 0.4 1 1566 132 132 ASN CA C 54.889 0.4 1 1567 132 132 ASN CB C 37.055 0.4 1 1568 132 132 ASN N N 127.524 0.4 1 1569 132 132 ASN ND2 N 112.664 0.4 1 1570 133 133 ASN H H 8.996 0.02 1 1571 133 133 ASN HA H 4.274 0.02 1 1572 133 133 ASN HB2 H 3.084 0.02 2 1573 133 133 ASN HB3 H 2.914 0.02 2 1574 133 133 ASN HD21 H 7.446 0.02 2 1575 133 133 ASN HD22 H 6.853 0.02 2 1576 133 133 ASN C C 173.9 0.4 1 1577 133 133 ASN CA C 54.808 0.4 1 1578 133 133 ASN CB C 38.092 0.4 1 1579 133 133 ASN N N 112.472 0.4 1 1580 133 133 ASN ND2 N 112.966 0.4 1 1581 134 134 THR H H 7.814 0.02 1 1582 134 134 THR HA H 4.696 0.02 1 1583 134 134 THR HB H 4.251 0.02 1 1584 134 134 THR HG2 H 1.277 0.02 1 1585 134 134 THR C C 172.72 0.4 1 1586 134 134 THR CA C 60.187 0.4 1 1587 134 134 THR CB C 71.556 0.4 1 1588 134 134 THR CG2 C 21.291 0.4 1 1589 134 134 THR N N 112.394 0.4 1 1590 135 135 ILE H H 8.826 0.02 1 1591 135 135 ILE HA H 4.551 0.02 1 1592 135 135 ILE HB H 1.664 0.02 1 1593 135 135 ILE HG12 H 1.291 0.02 2 1594 135 135 ILE HG13 H 1.049 0.02 2 1595 135 135 ILE HG2 H 0.906 0.02 1 1596 135 135 ILE HD1 H 0.141 0.02 1 1597 135 135 ILE C C 173.87 0.4 1 1598 135 135 ILE CA C 57.728 0.4 1 1599 135 135 ILE CB C 38.297 0.4 1 1600 135 135 ILE CG1 C 27.922 0.4 1 1601 135 135 ILE CG2 C 19.677 0.4 1 1602 135 135 ILE CD1 C 11.317 0.4 1 1603 135 135 ILE N N 123.582 0.4 1 1604 136 136 ASN H H 9.283 0.02 1 1605 136 136 ASN HA H 4.871 0.02 1 1606 136 136 ASN HB2 H 2.646 0.02 2 1607 136 136 ASN HB3 H 2.407 0.02 2 1608 136 136 ASN HD21 H 7.333 0.02 2 1609 136 136 ASN HD22 H 7.002 0.02 2 1610 136 136 ASN C C 171.99 0.4 1 1611 136 136 ASN CA C 51.786 0.4 1 1612 136 136 ASN CB C 43.737 0.4 1 1613 136 136 ASN N N 129.225 0.4 1 1614 136 136 ASN ND2 N 113.358 0.4 1 1615 137 137 LEU H H 8.638 0.02 1 1616 137 137 LEU HA H 5.125 0.02 1 1617 137 137 LEU HB2 H 1.533 0.02 2 1618 137 137 LEU HB3 H 1.172 0.02 2 1619 137 137 LEU HG H 1.15 0.02 1 1620 137 137 LEU HD1 H 0.581 0.02 2 1621 137 137 LEU HD2 H -0.227 0.02 2 1622 137 137 LEU C C 176.89 0.4 1 1623 137 137 LEU CA C 53.693 0.4 1 1624 137 137 LEU CB C 46.754 0.4 1 1625 137 137 LEU CG C 26.898 0.4 1 1626 137 137 LEU CD1 C 25.052 0.4 1 1627 137 137 LEU CD2 C 22.477 0.4 1 1628 137 137 LEU N N 119.158 0.4 1 1629 138 138 ASP H H 8.751 0.02 1 1630 138 138 ASP HA H 5.1 0.02 1 1631 138 138 ASP HB2 H 2.506 0.02 2 1632 138 138 ASP HB3 H 2.301 0.02 2 1633 138 138 ASP C C 174.03 0.4 1 1634 138 138 ASP CA C 51.839 0.4 1 1635 138 138 ASP CB C 45.62 0.4 1 1636 138 138 ASP N N 120.502 0.4 1 1637 139 139 GLU H H 8.488 0.02 1 1638 139 139 GLU HA H 4.202 0.02 1 1639 139 139 GLU HB2 H 1.707 0.02 2 1640 139 139 GLU HB3 H 1.707 0.02 2 1641 139 139 GLU HG2 H 1.814 0.02 2 1642 139 139 GLU HG3 H 1.689 0.02 2 1643 139 139 GLU C C 176.29 0.4 1 1644 139 139 GLU CA C 54.966 0.4 1 1645 139 139 GLU CB C 31.904 0.4 1 1646 139 139 GLU CG C 34.88 0.4 1 1647 139 139 GLU N N 124.231 0.4 1 1648 140 140 VAL H H 9.321 0.02 1 1649 140 140 VAL HA H 3.713 0.02 1 1650 140 140 VAL HB H 2.213 0.02 1 1651 140 140 VAL HG1 H 0.763 0.02 2 1652 140 140 VAL HG2 H 0.81 0.02 2 1653 140 140 VAL C C 176.96 0.4 1 1654 140 140 VAL CA C 64.726 0.4 1 1655 140 140 VAL CB C 31.779 0.4 1 1656 140 140 VAL CG1 C 22.521 0.4 1 1657 140 140 VAL CG2 C 21.859 0.4 1 1658 140 140 VAL N N 127.728 0.4 1 1659 141 141 ILE H H 8.946 0.02 1 1660 141 141 ILE HA H 4.781 0.02 1 1661 141 141 ILE HB H 2.024 0.02 1 1662 141 141 ILE HG12 H 1.146 0.02 2 1663 141 141 ILE HG13 H 0.729 0.02 2 1664 141 141 ILE HG2 H 0.857 0.02 1 1665 141 141 ILE HD1 H 0.854 0.02 1 1666 141 141 ILE C C 175.01 0.4 1 1667 141 141 ILE CA C 60.822 0.4 1 1668 141 141 ILE CB C 40.064 0.4 1 1669 141 141 ILE CG1 C 26.626 0.4 1 1670 141 141 ILE CG2 C 17.842 0.4 1 1671 141 141 ILE CD1 C 14.375 0.4 1 1672 141 141 ILE N N 122.214 0.4 1 1673 142 142 LYS H H 7.84 0.02 1 1674 142 142 LYS HA H 4.393 0.02 1 1675 142 142 LYS HB2 H 1.744 0.02 2 1676 142 142 LYS HB3 H 1.744 0.02 2 1677 142 142 LYS HG2 H 1.397 0.02 2 1678 142 142 LYS HG3 H 1.397 0.02 2 1679 142 142 LYS HD2 H 1.49 0.02 2 1680 142 142 LYS HD3 H 1.49 0.02 2 1681 142 142 LYS HE2 H 2.91 0.02 2 1682 142 142 LYS HE3 H 2.88 0.02 2 1683 142 142 LYS C C 173.03 0.4 1 1684 142 142 LYS CA C 57.358 0.4 1 1685 142 142 LYS CB C 36.441 0.4 1 1686 142 142 LYS CG C 25.266 0.4 1 1687 142 142 LYS CD C 29.177 0.4 1 1688 142 142 LYS N N 123.182 0.4 1 1689 143 143 VAL H H 8.14 0.02 1 1690 143 143 VAL HA H 4.706 0.02 1 1691 143 143 VAL HB H 1.877 0.02 1 1692 143 143 VAL HG1 H 0.838 0.02 2 1693 143 143 VAL HG2 H 0.758 0.02 2 1694 143 143 VAL CA C 61.991 0.4 1 1695 143 143 VAL CB C 34.375 0.4 1 1696 143 143 VAL CG1 C 21.351 0.4 1 1697 143 143 VAL CG2 C 20.859 0.4 1 1698 143 143 VAL N N 122.697 0.4 1 1699 144 144 GLU HA H 4.951 0.02 1 1700 144 144 GLU HB2 H 2.031 0.02 2 1701 144 144 GLU HB3 H 2.031 0.02 2 1702 144 144 GLU HG2 H 2.215 0.02 2 1703 144 144 GLU HG3 H 2.05 0.02 2 1704 144 144 GLU C C 174.25 0.4 1 1705 144 144 GLU CA C 54.09 0.4 1 1706 144 144 GLU CB C 34.637 0.4 1 1707 144 144 GLU CG C 36.524 0.4 1 1708 145 145 THR H H 8.457 0.02 1 1709 145 145 THR HA H 5.4 0.02 1 1710 145 145 THR HB H 4.097 0.02 1 1711 145 145 THR HG2 H 1.249 0.02 1 1712 145 145 THR C C 172.81 0.4 1 1713 145 145 THR CA C 60.423 0.4 1 1714 145 145 THR CB C 70.71 0.4 1 1715 145 145 THR CG2 C 22.063 0.4 1 1716 145 145 THR N N 113.106 0.4 1 1717 146 146 VAL H H 8.946 0.02 1 1718 146 146 VAL HA H 4.699 0.02 1 1719 146 146 VAL HB H 2.137 0.02 1 1720 146 146 VAL HG1 H 0.909 0.02 2 1721 146 146 VAL HG2 H 0.81 0.02 2 1722 146 146 VAL C C 174.63 0.4 1 1723 146 146 VAL CA C 59.257 0.4 1 1724 146 146 VAL CB C 35.327 0.4 1 1725 146 146 VAL CG1 C 21.428 0.4 1 1726 146 146 VAL CG2 C 19.711 0.4 1 1727 146 146 VAL N N 118.992 0.4 1 1728 147 147 ASP H H 8.539 0.02 1 1729 147 147 ASP HA H 4.843 0.02 1 1730 147 147 ASP HB2 H 2.595 0.02 2 1731 147 147 ASP HB3 H 2.524 0.02 2 1732 147 147 ASP C C 175.6 0.4 1 1733 147 147 ASP CA C 55.352 0.4 1 1734 147 147 ASP CB C 42.187 0.4 1 1735 147 147 ASP N N 123.312 0.4 1 1736 148 148 TYR H H 8.856 0.02 1 1737 148 148 TYR HA H 4.672 0.02 1 1738 148 148 TYR HB2 H 2.921 0.02 2 1739 148 148 TYR HB3 H 2.726 0.02 2 1740 148 148 TYR HD1 H 7.085 0.02 3 1741 148 148 TYR HD2 H 7.085 0.02 3 1742 148 148 TYR C C 173.54 0.4 1 1743 148 148 TYR CA C 58.436 0.4 1 1744 148 148 TYR CB C 44.399 0.4 1 1745 148 148 TYR CD1 C 133.49 0.4 1 1746 148 148 TYR N N 124.221 0.4 1 1747 149 149 ASN H H 7.782 0.02 1 1748 149 149 ASN HA H 5.28 0.02 1 1749 149 149 ASN HB2 H 2.608 0.02 2 1750 149 149 ASN HB3 H 2.608 0.02 2 1751 149 149 ASN HD21 H 7.467 0.02 2 1752 149 149 ASN HD22 H 6.712 0.02 2 1753 149 149 ASN C C 173.39 0.4 1 1754 149 149 ASN CA C 52.698 0.4 1 1755 149 149 ASN CB C 40.568 0.4 1 1756 149 149 ASN N N 125.504 0.4 1 1757 149 149 ASN ND2 N 112.752 0.4 1 1758 150 150 GLY H H 8.509 0.02 1 1759 150 150 GLY HA2 H 4.105 0.02 2 1760 150 150 GLY HA3 H 3.807 0.02 2 1761 150 150 GLY C C 172.32 0.4 1 1762 150 150 GLY CA C 45.674 0.4 1 1763 150 150 GLY N N 111.856 0.4 1 1764 151 151 HIS H H 9.442 0.02 1 1765 151 151 HIS HA H 5.547 0.02 1 1766 151 151 HIS HB2 H 3.427 0.02 2 1767 151 151 HIS HB3 H 2.476 0.02 2 1768 151 151 HIS HD2 H 6.496 0.02 1 1769 151 151 HIS HE1 H 7.903 0.02 1 1770 151 151 HIS C C 174.72 0.4 1 1771 151 151 HIS CA C 56.551 0.4 1 1772 151 151 HIS CB C 31.878 0.4 1 1773 151 151 HIS CD2 C 120.967 0.4 1 1774 151 151 HIS CE1 C 137.863 0.4 1 1775 151 151 HIS N N 122.048 0.4 1 1776 152 152 ILE H H 9.217 0.02 1 1777 152 152 ILE HA H 5.347 0.02 1 1778 152 152 ILE HB H 1.747 0.02 1 1779 152 152 ILE HG12 H 0.961 0.02 2 1780 152 152 ILE HG13 H 0.961 0.02 2 1781 152 152 ILE HG2 H 0.51 0.02 1 1782 152 152 ILE HD1 H 0.213 0.02 1 1783 152 152 ILE C C 175.25 0.4 1 1784 152 152 ILE CA C 60.382 0.4 1 1785 152 152 ILE CB C 38.983 0.4 1 1786 152 152 ILE CG1 C 24.218 0.4 1 1787 152 152 ILE CG2 C 18.29 0.4 1 1788 152 152 ILE CD1 C 13.301 0.4 1 1789 152 152 ILE N N 117.263 0.4 1 1790 153 153 TYR H H 9.041 0.02 1 1791 153 153 TYR HA H 5.698 0.02 1 1792 153 153 TYR HB2 H 3.112 0.02 2 1793 153 153 TYR HB3 H 2.613 0.02 2 1794 153 153 TYR HD1 H 7.314 0.02 3 1795 153 153 TYR HD2 H 7.314 0.02 3 1796 153 153 TYR HE1 H 7.333 0.02 3 1797 153 153 TYR HE2 H 7.333 0.02 3 1798 153 153 TYR C C 175.21 0.4 1 1799 153 153 TYR CA C 58.75 0.4 1 1800 153 153 TYR CB C 47.223 0.4 1 1801 153 153 TYR CD1 C 133.749 0.4 1 1802 153 153 TYR CE1 C 119.838 0.4 1 1803 153 153 TYR N N 118.235 0.4 1 1804 154 154 ASP H H 8.912 0.02 1 1805 154 154 ASP HA H 5.414 0.02 1 1806 154 154 ASP HB2 H 2.891 0.02 2 1807 154 154 ASP HB3 H 2.214 0.02 2 1808 154 154 ASP C C 173.65 0.4 1 1809 154 154 ASP CA C 53.272 0.4 1 1810 154 154 ASP CB C 45.328 0.4 1 1811 154 154 ASP N N 118.674 0.4 1 1812 155 155 LEU H H 7.614 0.02 1 1813 155 155 LEU HA H 5.592 0.02 1 1814 155 155 LEU HB2 H 1.193 0.02 2 1815 155 155 LEU HB3 H 1.193 0.02 2 1816 155 155 LEU HG H 1.303 0.02 1 1817 155 155 LEU HD1 H -0.058 0.02 1 1818 155 155 LEU HD2 H 1.154 0.02 1 1819 155 155 LEU C C 176.16 0.4 1 1820 155 155 LEU CA C 53.508 0.4 1 1821 155 155 LEU CB C 46.469 0.4 1 1822 155 155 LEU CG C 26.787 0.4 1 1823 155 155 LEU CD1 C 26.021 0.4 1 1824 155 155 LEU CD2 C 24.375 0.4 1 1825 155 155 LEU N N 114.42 0.4 1 1826 156 156 THR H H 8.327 0.02 1 1827 156 156 THR HA H 4.7 0.02 1 1828 156 156 THR HB H 3.78 0.02 1 1829 156 156 THR HG2 H 1.348 0.02 1 1830 156 156 THR C C 174.27 0.4 1 1831 156 156 THR CA C 62.854 0.4 1 1832 156 156 THR CB C 70.95 0.4 1 1833 156 156 THR CG2 C 22.354 0.4 1 1834 156 156 THR N N 114.958 0.4 1 1835 157 157 VAL H H 8.243 0.02 1 1836 157 157 VAL HA H 4.552 0.02 1 1837 157 157 VAL HB H 1.675 0.02 1 1838 157 157 VAL HG1 H 0.855 0.02 2 1839 157 157 VAL HG2 H 1.129 0.02 2 1840 157 157 VAL C C 173.96 0.4 1 1841 157 157 VAL CA C 62.002 0.4 1 1842 157 157 VAL CB C 36.274 0.4 1 1843 157 157 VAL CG1 C 22.728 0.4 1 1844 157 157 VAL CG2 C 21.028 0.4 1 1845 157 157 VAL N N 128.486 0.4 1 1846 158 158 GLU H H 8.822 0.02 1 1847 158 158 GLU HA H 3.811 0.02 1 1848 158 158 GLU HB2 H 2.282 0.02 2 1849 158 158 GLU HB3 H 1.863 0.02 2 1850 158 158 GLU HG2 H 2.484 0.02 2 1851 158 158 GLU HG3 H 2.216 0.02 2 1852 158 158 GLU C C 176.74 0.4 1 1853 158 158 GLU CA C 58.591 0.4 1 1854 158 158 GLU CB C 31.276 0.4 1 1855 158 158 GLU CG C 36.47 0.4 1 1856 158 158 GLU N N 129.381 0.4 1 1857 159 159 ASP H H 8.645 0.02 1 1858 159 159 ASP HA H 4.035 0.02 1 1859 159 159 ASP HB2 H 3.021 0.02 2 1860 159 159 ASP HB3 H 2.652 0.02 2 1861 159 159 ASP C C 176.09 0.4 1 1862 159 159 ASP CA C 59.64 0.4 1 1863 159 159 ASP CB C 39.819 0.4 1 1864 159 159 ASP N N 117.309 0.4 1 1865 160 160 ASN H H 9.315 0.02 1 1866 160 160 ASN HA H 4.555 0.02 1 1867 160 160 ASN HB2 H 2.89 0.02 2 1868 160 160 ASN HB3 H 2.442 0.02 2 1869 160 160 ASN HD21 H 8.568 0.02 2 1870 160 160 ASN HD22 H 6.424 0.02 2 1871 160 160 ASN C C 176.76 0.4 1 1872 160 160 ASN CA C 52.947 0.4 1 1873 160 160 ASN CB C 39.231 0.4 1 1874 160 160 ASN N N 121.321 0.4 1 1875 160 160 ASN ND2 N 109.675 0.4 1 1876 161 161 HIS H H 7.028 0.02 1 1877 161 161 HIS HA H 4.704 0.02 1 1878 161 161 HIS HB2 H 3.535 0.02 2 1879 161 161 HIS HB3 H 3.278 0.02 2 1880 161 161 HIS HD2 H 7.333 0.02 1 1881 161 161 HIS C C 174.38 0.4 1 1882 161 161 HIS CA C 56.796 0.4 1 1883 161 161 HIS CB C 26.916 0.4 1 1884 161 161 HIS CD2 C 120.074 0.4 1 1885 161 161 HIS N N 108.396 0.4 1 1886 162 162 THR H H 7.187 0.02 1 1887 162 162 THR HA H 5.407 0.02 1 1888 162 162 THR HB H 4.465 0.02 1 1889 162 162 THR HG2 H 1.391 0.02 1 1890 162 162 THR C C 172.74 0.4 1 1891 162 162 THR CA C 59.778 0.4 1 1892 162 162 THR CB C 74.239 0.4 1 1893 162 162 THR CG2 C 21.836 0.4 1 1894 162 162 THR N N 106.315 0.4 1 1895 163 163 TYR H H 9.108 0.02 1 1896 163 163 TYR HA H 5.49 0.02 1 1897 163 163 TYR HB2 H 3.465 0.02 2 1898 163 163 TYR HB3 H 3.031 0.02 2 1899 163 163 TYR HD1 H 6.934 0.02 3 1900 163 163 TYR HD2 H 6.934 0.02 3 1901 163 163 TYR HE1 H 6.887 0.02 3 1902 163 163 TYR HE2 H 6.887 0.02 3 1903 163 163 TYR C C 172.36 0.4 1 1904 163 163 TYR CA C 56.894 0.4 1 1905 163 163 TYR CB C 40.777 0.4 1 1906 163 163 TYR CD1 C 133.909 0.4 1 1907 163 163 TYR CE1 C 118.237 0.4 1 1908 163 163 TYR N N 112.113 0.4 1 1909 164 164 ILE H H 7.311 0.02 1 1910 164 164 ILE HA H 5.231 0.02 1 1911 164 164 ILE HB H 2.048 0.02 1 1912 164 164 ILE HG12 H 1.367 0.02 1 1913 164 164 ILE HG13 H 1.146 0.02 1 1914 164 164 ILE HG2 H 0.692 0.02 1 1915 164 164 ILE HD1 H 0.464 0.02 1 1916 164 164 ILE C C 175.14 0.4 1 1917 164 164 ILE CA C 57.362 0.4 1 1918 164 164 ILE CB C 36.547 0.4 1 1919 164 164 ILE CG1 C 26.637 0.4 1 1920 164 164 ILE CG2 C 19.007 0.4 1 1921 164 164 ILE CD1 C 9.218 0.4 1 1922 164 164 ILE N N 118.741 0.4 1 1923 165 165 ALA H H 8.878 0.02 1 1924 165 165 ALA HA H 6.049 0.02 1 1925 165 165 ALA HB H 1.508 0.02 1 1926 165 165 ALA C C 177.36 0.4 1 1927 165 165 ALA CA C 50.927 0.4 1 1928 165 165 ALA CB C 26.218 0.4 1 1929 165 165 ALA N N 126.661 0.4 1 1930 166 166 GLY H H 9.588 0.02 1 1931 166 166 GLY HA2 H 5.164 0.02 1 1932 166 166 GLY HA3 H 4.922 0.02 1 1933 166 166 GLY C C 174.3 0.4 1 1934 166 166 GLY CA C 42.649 0.4 1 1935 166 166 GLY N N 106.61 0.4 1 1936 167 167 LYS H H 9.314 0.02 1 1937 167 167 LYS HA H 4.324 0.02 1 1938 167 167 LYS HB2 H 2.125 0.02 2 1939 167 167 LYS HB3 H 2.069 0.02 2 1940 167 167 LYS HG2 H 1.969 0.02 2 1941 167 167 LYS HG3 H 1.619 0.02 2 1942 167 167 LYS HD2 H 1.803 0.02 2 1943 167 167 LYS HD3 H 1.803 0.02 2 1944 167 167 LYS HE2 H 3.123 0.02 2 1945 167 167 LYS HE3 H 3.123 0.02 2 1946 167 167 LYS C C 178.62 0.4 1 1947 167 167 LYS CA C 57.728 0.4 1 1948 167 167 LYS CB C 33.84 0.4 1 1949 167 167 LYS CG C 26.256 0.4 1 1950 167 167 LYS CD C 29.011 0.4 1 1951 167 167 LYS CE C 42.428 0.4 1 1952 167 167 LYS N N 120.557 0.4 1 1953 168 168 ASN H H 9.321 0.02 1 1954 168 168 ASN HA H 4.472 0.02 1 1955 168 168 ASN HB2 H 3.118 0.02 2 1956 168 168 ASN HB3 H 2.741 0.02 2 1957 168 168 ASN HD21 H 7.341 0.02 2 1958 168 168 ASN HD22 H 6.952 0.02 2 1959 168 168 ASN C C 173.74 0.4 1 1960 168 168 ASN CA C 54.112 0.4 1 1961 168 168 ASN CB C 36.688 0.4 1 1962 168 168 ASN N N 118.531 0.4 1 1963 168 168 ASN ND2 N 111.547 0.4 1 1964 169 169 GLU H H 7.262 0.02 1 1965 169 169 GLU HA H 3.284 0.02 1 1966 169 169 GLU HB2 H 2.58 0.02 2 1967 169 169 GLU HB3 H 1.891 0.02 2 1968 169 169 GLU HG2 H 2.138 0.02 2 1969 169 169 GLU HG3 H 2.138 0.02 2 1970 169 169 GLU C C 177.18 0.4 1 1971 169 169 GLU CA C 61.717 0.4 1 1972 169 169 GLU CB C 28.46 0.4 1 1973 169 169 GLU CG C 38.33 0.4 1 1974 169 169 GLU N N 107.857 0.4 1 1975 170 170 GLY H H 6.972 0.02 1 1976 170 170 GLY HA2 H 3.516 0.02 2 1977 170 170 GLY HA3 H 3.366 0.02 2 1978 170 170 GLY C C 171.59 0.4 1 1979 170 170 GLY CA C 47.444 0.4 1 1980 170 170 GLY N N 101.538 0.4 1 1981 171 171 PHE H H 8.909 0.02 1 1982 171 171 PHE HA H 4.802 0.02 1 1983 171 171 PHE HB2 H 3.071 0.02 2 1984 171 171 PHE HB3 H 2.795 0.02 2 1985 171 171 PHE HD1 H 7.23 0.02 3 1986 171 171 PHE HD2 H 7.23 0.02 3 1987 171 171 PHE HE1 H 7.003 0.02 3 1988 171 171 PHE HE2 H 7.003 0.02 3 1989 171 171 PHE C C 174.81 0.4 1 1990 171 171 PHE CA C 56.629 0.4 1 1991 171 171 PHE CB C 43.786 0.4 1 1992 171 171 PHE CD1 C 131.562 0.4 1 1993 171 171 PHE CE1 C 131.005 0.4 1 1994 171 171 PHE N N 113.87 0.4 1 1995 172 172 ALA H H 7.154 0.02 1 1996 172 172 ALA HA H 4.773 0.02 1 1997 172 172 ALA HB H 0.794 0.02 1 1998 172 172 ALA C C 175.92 0.4 1 1999 172 172 ALA CA C 51.96 0.4 1 2000 172 172 ALA CB C 19.485 0.4 1 2001 172 172 ALA N N 119.885 0.4 1 2002 173 173 VAL H H 9.089 0.02 1 2003 173 173 VAL HA H 5.066 0.02 1 2004 173 173 VAL HB H 1.863 0.02 1 2005 173 173 VAL HG1 H 0.692 0.02 2 2006 173 173 VAL HG2 H 0.182 0.02 2 2007 173 173 VAL C C 174.94 0.4 1 2008 173 173 VAL CA C 59.236 0.4 1 2009 173 173 VAL CB C 35.334 0.4 1 2010 173 173 VAL CG1 C 21.666 0.4 1 2011 173 173 VAL CG2 C 18.016 0.4 1 2012 173 173 VAL N N 115.999 0.4 1 2013 174 174 SER H H 7.113 0.02 1 2014 174 174 SER HA H 4.791 0.02 1 2015 174 174 SER HB2 H 3.883 0.02 2 2016 174 174 SER HB3 H 3.652 0.02 2 2017 174 174 SER C C 172.34 0.4 1 2018 174 174 SER CA C 59.53 0.4 1 2019 174 174 SER CB C 64.535 0.4 1 2020 174 174 SER N N 114.853 0.4 1 2021 175 175 ALA H H 8.082 0.02 1 2022 175 175 ALA HA H 5.177 0.02 1 2023 175 175 ALA HB H 1.49 0.02 1 2024 175 175 ALA C C 177.03 0.4 1 2025 175 175 ALA CA C 50.573 0.4 1 2026 175 175 ALA CB C 21.392 0.4 1 2027 175 175 ALA N N 125.945 0.4 1 2028 176 176 SER H H 8.533 0.02 1 2029 176 176 SER HA H 4.184 0.02 1 2030 176 176 SER HB2 H 3.448 0.02 2 2031 176 176 SER HB3 H 3.448 0.02 2 2032 176 176 SER C C 175.52 0.4 1 2033 176 176 SER CA C 58.603 0.4 1 2034 176 176 SER CB C 63.611 0.4 1 2035 176 176 SER N N 116.514 0.4 1 2036 177 177 SER H H 8.625 0.02 1 2037 177 177 SER HA H 4.313 0.02 1 2038 177 177 SER HB2 H 3.705 0.02 2 2039 177 177 SER HB3 H 3.626 0.02 2 2040 177 177 SER C C 174.83 0.4 1 2041 177 177 SER CA C 58.676 0.4 1 2042 177 177 SER CB C 63.451 0.4 1 2043 177 177 SER N N 119.349 0.4 1 2044 178 178 GLY H H 8.282 0.02 1 2045 178 178 GLY HA2 H 3.885 0.02 2 2046 178 178 GLY HA3 H 3.785 0.02 2 2047 178 178 GLY C C 173.78 0.4 1 2048 178 178 GLY CA C 45.118 0.4 1 2049 178 178 GLY N N 110.573 0.4 1 2050 179 179 THR H H 7.952 0.02 1 2051 179 179 THR HA H 4.201 0.02 1 2052 179 179 THR HB H 4.035 0.02 1 2053 179 179 THR HG2 H 1.001 0.02 1 2054 179 179 THR C C 174.25 0.4 1 2055 179 179 THR CA C 61.569 0.4 1 2056 179 179 THR CB C 69.67 0.4 1 2057 179 179 THR CG2 C 21.379 0.4 1 2058 179 179 THR N N 113.944 0.4 1 2059 180 180 LEU H H 8.2 0.02 1 2060 180 180 LEU HA H 4.228 0.02 1 2061 180 180 LEU HB2 H 1.47 0.02 2 2062 180 180 LEU HB3 H 1.367 0.02 2 2063 180 180 LEU HG H 1.411 0.02 1 2064 180 180 LEU HD1 H 0.803 0.02 2 2065 180 180 LEU HD2 H 0.766 0.02 2 2066 180 180 LEU C C 176.85 0.4 1 2067 180 180 LEU CA C 55.168 0.4 1 2068 180 180 LEU CB C 42.208 0.4 1 2069 180 180 LEU CG C 26.816 0.4 1 2070 180 180 LEU CD1 C 24.871 0.4 1 2071 180 180 LEU CD2 C 23.528 0.4 1 2072 180 180 LEU N N 124.453 0.4 1 2073 181 181 HIS H H 8.356 0.02 1 2074 181 181 HIS HA H 4.632 0.02 1 2075 181 181 HIS HB2 H 3.124 0.02 2 2076 181 181 HIS HB3 H 3.042 0.02 2 2077 181 181 HIS CA C 54.608 0.4 1 2078 181 181 HIS CB C 29.563 0.4 1 2079 181 181 HIS N N 119.189 0.4 1 stop_ save_