data_6284 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for DnaG-C ; _BMRB_accession_number 6284 _BMRB_flat_file_name bmr6284.str _Entry_type original _Submission_date 2004-08-05 _Accession_date 2004-08-05 _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 Oakley Aaron J. . 2 Loscha Karin V. . 3 Schaeffer Patrick M. . 4 Liepinsh Edvards . . 5 Pintacuda Guido . . 6 Wilce Matthew C.J. . 7 Otting Gottfried . . 8 Dixon Nicholas E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1100 "13C chemical shifts" 757 "15N chemical shifts" 300 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-03-16 original author 'original release' 2006-06-29 update author 'addition of chemical shift table and update citation' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Crystal and solution structures of the helicase-binding domain of Escherichia coli primase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15649896 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Oakley Aaron J. . 2 Loscha Karin V. . 3 Schaeffer Patrick M. . 4 Liepinsh Edvards . . 5 Pintacuda Guido . . 6 Wilce Matthew C.J. . 7 Otting Gottfried . . 8 Dixon Nicholas E. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 280 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11495 _Page_last 11504 _Year 2005 _Details . loop_ _Keyword 'DnaB helicase' 'DnaG primase' NMR stop_ save_ ################################## # Molecular system description # ################################## save_molecular_system _Saveframe_category molecular_system _Mol_system_name DnaG-C _Abbreviation_common DnaG-C _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label DnaG-C $DnaG-C stop_ _System_molecular_weight 16690 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DnaG-C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DnaG-C _Abbreviation_common DnaG-C _Molecular_mass 16690 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; AAESGVSRPVPQLKRTTMRI LIGLLVQNPELATLVPPLEN LDENKLPGLGLFRELVNTCL SQPGLTTGQLLEHYRGTNNA ATLEKLSMWDDIADKNIAEQ TFTDSLNHMFDSLLELRQEE LIARERTHGLSNEERLELWT LNQELAKK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ALA 3 GLU 4 SER 5 GLY 6 VAL 7 SER 8 ARG 9 PRO 10 VAL 11 PRO 12 GLN 13 LEU 14 LYS 15 ARG 16 THR 17 THR 18 MET 19 ARG 20 ILE 21 LEU 22 ILE 23 GLY 24 LEU 25 LEU 26 VAL 27 GLN 28 ASN 29 PRO 30 GLU 31 LEU 32 ALA 33 THR 34 LEU 35 VAL 36 PRO 37 PRO 38 LEU 39 GLU 40 ASN 41 LEU 42 ASP 43 GLU 44 ASN 45 LYS 46 LEU 47 PRO 48 GLY 49 LEU 50 GLY 51 LEU 52 PHE 53 ARG 54 GLU 55 LEU 56 VAL 57 ASN 58 THR 59 CYS 60 LEU 61 SER 62 GLN 63 PRO 64 GLY 65 LEU 66 THR 67 THR 68 GLY 69 GLN 70 LEU 71 LEU 72 GLU 73 HIS 74 TYR 75 ARG 76 GLY 77 THR 78 ASN 79 ASN 80 ALA 81 ALA 82 THR 83 LEU 84 GLU 85 LYS 86 LEU 87 SER 88 MET 89 TRP 90 ASP 91 ASP 92 ILE 93 ALA 94 ASP 95 LYS 96 ASN 97 ILE 98 ALA 99 GLU 100 GLN 101 THR 102 PHE 103 THR 104 ASP 105 SER 106 LEU 107 ASN 108 HIS 109 MET 110 PHE 111 ASP 112 SER 113 LEU 114 LEU 115 GLU 116 LEU 117 ARG 118 GLN 119 GLU 120 GLU 121 LEU 122 ILE 123 ALA 124 ARG 125 GLU 126 ARG 127 THR 128 HIS 129 GLY 130 LEU 131 SER 132 ASN 133 GLU 134 GLU 135 ARG 136 LEU 137 GLU 138 LEU 139 TRP 140 THR 141 LEU 142 ASN 143 GLN 144 GLU 145 LEU 146 ALA 147 LYS 148 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1T3W "Crystal Structure Of The E.coli Dnag C-terminal Domain (residues 434 To 581)" 100.00 148 97.97 97.97 1.30e-97 PDB 2HAJ "Solution Structure Of The Helicase-Binding Domain Of Escherichia Coli Primase" 100.00 148 100.00 100.00 9.00e-101 DBJ BAB37372 "DNA primase [Escherichia coli O157:H7 str. Sakai]" 100.00 581 100.00 100.00 1.45e-95 DBJ BAE77117 "DNA primase [Escherichia coli str. K-12 substr. W3110]" 100.00 581 100.00 100.00 1.45e-95 DBJ BAG78871 "DNA primase [Escherichia coli SE11]" 100.00 581 100.00 100.00 1.45e-95 DBJ BAI27347 "DNA primase DnaG [Escherichia coli O26:H11 str. 11368]" 100.00 581 99.32 99.32 2.44e-94 DBJ BAI32464 "DNA primase DnaG [Escherichia coli O103:H2 str. 12009]" 100.00 581 100.00 100.00 1.45e-95 EMBL CAA23531 "DNA primase [Escherichia coli]" 100.00 581 100.00 100.00 1.45e-95 EMBL CAP77540 "DNA primase [Escherichia coli LF82]" 100.00 581 100.00 100.00 1.45e-95 EMBL CAQ33403 "DNA primase, subunit of primosome [Escherichia coli BL21(DE3)]" 100.00 581 100.00 100.00 1.45e-95 EMBL CAQ90500 "DNA primase [Escherichia fergusonii ATCC 35469]" 100.00 581 98.65 99.32 3.75e-94 EMBL CAR00028 "DNA primase [Escherichia coli IAI1]" 100.00 581 100.00 100.00 1.45e-95 GB AAA24600 "DNA primase [Escherichia coli]" 100.00 581 100.00 100.00 1.45e-95 GB AAA89146 "CG Site No. 847; alternate gen name dnaP, parB [Escherichia coli str. K-12 substr. MG1655]" 100.00 581 100.00 100.00 1.45e-95 GB AAC76102 "DNA primase [Escherichia coli str. K-12 substr. MG1655]" 100.00 581 100.00 100.00 1.45e-95 GB AAG58200 "DNA biosynthesis; DNA primase [Escherichia coli O157:H7 str. EDL933]" 100.00 581 98.65 98.65 4.31e-94 GB AAN44583 "DNA biosynthesis; DNA primase [Shigella flexneri 2a str. 301]" 100.00 581 100.00 100.00 1.45e-95 PIR D85967 "DNA biosynthesis, DNA primase [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" 100.00 581 98.65 98.65 4.31e-94 PRF 0902269A "primase dnaG" 100.00 580 100.00 100.00 7.45e-96 REF NP_289641 "DNA primase [Escherichia coli O157:H7 str. EDL933]" 100.00 581 98.65 98.65 4.31e-94 REF NP_311976 "DNA primase [Escherichia coli O157:H7 str. Sakai]" 100.00 581 100.00 100.00 1.45e-95 REF NP_417538 "DNA primase [Escherichia coli str. K-12 substr. MG1655]" 100.00 581 100.00 100.00 1.45e-95 REF NP_708876 "DNA primase [Shigella flexneri 2a str. 301]" 100.00 581 100.00 100.00 1.45e-95 REF NP_755688 "DNA primase [Escherichia coli CFT073]" 100.00 581 100.00 100.00 1.45e-95 SP P0ABS5 "RecName: Full=DNA primase [Escherichia coli K-12]" 100.00 581 100.00 100.00 1.45e-95 SP P0ABS6 "RecName: Full=DNA primase [Escherichia coli O157:H7]" 100.00 581 100.00 100.00 1.45e-95 SP P0ABS7 "RecName: Full=DNA primase [Shigella flexneri]" 100.00 581 100.00 100.00 1.45e-95 SP Q8FDG5 "RecName: Full=DNA primase [Escherichia coli CFT073]" 100.00 581 100.00 100.00 1.45e-95 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DnaG-C 'Escherichia coli' 562 Bacteria . Escherichia coli 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 $DnaG-C 'recombinant technology' . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $DnaG-C 0.6 mM 0.55 0.65 '[U-90% 13C; U-15N]' 'phosphate buffer' 10 mM . . . DTT 1 mM . . . NaCl 100 mM . . . NaN3 0.1 % . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $DnaG-C 0.4 mM 0.55 0.65 '[U-90% 13C; U-15N]' 'phosphate buffer' 10 mM . . . DTT 1 mM . . . NaCl 100 mM . . . NaN3 0.1 % . . . stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name xwinnmr _Version 2.8 loop_ _Task 'peak assignments' stop_ _Details . save_ save_PROSA _Saveframe_category software _Name PROSA _Version 2.8 loop_ _Task 'spectrum processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 0.1 pH temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 carbons' ppm 0 internal indirect . . . . $entry_citation $entry_citation DSS H 1 protons ppm 0 internal direct . . . 1.0 $entry_citation $entry_citation NH3 N 15 nitrogen ppm 0 internal indirect . . . . $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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name DnaG-C _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 ALA CA C 51.2 0.2 1 2 . 1 ALA HA H 4.00 0.02 1 3 . 1 ALA CB C 19.3 0.2 1 4 . 1 ALA C C 173.4 0.2 1 5 . 2 ALA N N 123.4 0.2 1 6 . 2 ALA H H 8.55 0.02 1 7 . 2 ALA CA C 52.5 0.2 1 8 . 2 ALA HA H 4.24 0.02 1 9 . 2 ALA CB C 18.8 0.2 1 10 . 2 ALA C C 177.5 0.2 1 11 . 3 GLU N N 120.8 0.2 1 12 . 3 GLU H H 8.52 0.02 1 13 . 3 GLU CA C 56.5 0.2 1 14 . 3 GLU HA H 4.22 0.02 1 15 . 3 GLU CB C 30.1 0.2 1 16 . 3 GLU C C 176.5 0.2 1 17 . 4 SER N N 116.9 0.2 1 18 . 4 SER H H 8.35 0.02 1 19 . 4 SER CA C 58.4 0.2 1 20 . 4 SER HA H 4.35 0.02 1 21 . 4 SER CB C 63.8 0.2 1 22 . 4 SER C C 174.9 0.2 1 23 . 5 GLY N N 110.9 0.2 1 24 . 5 GLY H H 8.39 0.02 1 25 . 5 GLY CA C 45.2 0.2 1 26 . 5 GLY HA2 H 3.90 0.02 1 27 . 5 GLY HA3 H 3.90 0.02 1 28 . 5 GLY C C 173.9 0.2 1 29 . 6 VAL N N 118.9 0.2 1 30 . 6 VAL H H 7.86 0.02 1 31 . 6 VAL CA C 62.0 0.2 1 32 . 6 VAL HA H 4.08 0.02 1 33 . 6 VAL CB C 32.9 0.2 1 34 . 6 VAL C C 176.1 0.2 1 35 . 7 SER N N 119.9 0.2 1 36 . 7 SER H H 8.33 0.02 1 37 . 7 SER CA C 58.1 0.2 1 38 . 7 SER HA H 4.36 0.02 1 39 . 7 SER CB C 63.7 0.2 1 40 . 7 SER C C 173.8 0.2 1 41 . 8 ARG N N 124.1 0.2 1 42 . 8 ARG H H 8.24 0.02 1 43 . 8 ARG CA C 53.7 0.2 1 44 . 8 ARG HA H 4.55 0.02 1 45 . 8 ARG C C 174.1 0.2 1 46 . 9 PRO CA C 62.8 0.2 1 47 . 9 PRO HA H 4.35 0.02 1 48 . 9 PRO CB C 32.1 0.2 1 49 . 9 PRO C C 176.5 0.2 1 50 . 10 VAL N N 121.9 0.2 1 51 . 10 VAL H H 8.22 0.02 1 52 . 10 VAL CA C 59.9 0.2 1 53 . 10 VAL HA H 4.25 0.02 1 54 . 10 VAL C C 174.6 0.2 1 55 . 11 PRO CA C 63.1 0.2 1 56 . 11 PRO HA H 4.27 0.02 1 57 . 11 PRO CB C 32.2 0.2 1 58 . 11 PRO C C 176.6 0.2 1 59 . 12 GLN N N 120.9 0.2 1 60 . 12 GLN H H 8.38 0.02 1 61 . 12 GLN CA C 55.6 0.2 1 62 . 12 GLN HA H 4.19 0.02 1 63 . 12 GLN CB C 29.7 0.2 1 64 . 12 GLN NE2 N 112.7 0.2 1 65 . 12 GLN HE21 H 7.48 0.02 2 66 . 12 GLN HE22 H 6.84 0.02 2 67 . 12 GLN C C 176.0 0.2 1 68 . 13 LEU N N 123.6 0.2 1 69 . 13 LEU H H 8.18 0.02 1 70 . 13 LEU CA C 54.9 0.2 1 71 . 13 LEU HA H 4.20 0.02 1 72 . 13 LEU CB C 42.3 0.2 1 73 . 13 LEU C C 177.0 0.2 1 74 . 14 LYS N N 122.4 0.2 1 75 . 14 LYS H H 8.18 0.02 1 76 . 14 LYS CA C 56.6 0.2 1 77 . 14 LYS HA H 4.13 0.02 1 78 . 14 LYS CB C 32.7 0.2 1 79 . 14 LYS C C 177.0 0.2 1 80 . 15 ARG N N 122.6 0.2 1 81 . 15 ARG H H 8.49 0.02 1 82 . 15 ARG CA C 57.1 0.2 1 83 . 15 ARG HA H 4.17 0.02 1 84 . 15 ARG CB C 30.2 0.2 1 85 . 15 ARG C C 176.2 0.2 1 86 . 16 THR N N 114.5 0.2 1 87 . 16 THR H H 7.48 0.02 1 88 . 16 THR CA C 61.1 0.2 1 89 . 16 THR HA H 4.33 0.02 1 90 . 16 THR CB C 70.2 0.2 1 91 . 16 THR C C 174.6 0.2 1 92 . 17 THR N N 118.2 0.2 1 93 . 17 THR H H 8.28 0.02 1 94 . 17 THR CA C 66.9 0.2 1 95 . 17 THR HA H 3.68 0.02 1 96 . 17 THR CB C 69.0 0.2 1 97 . 17 THR C C 175.1 0.2 1 98 . 18 MET N N 115.1 0.2 1 99 . 18 MET H H 8.27 0.02 1 100 . 18 MET CA C 55.8 0.2 1 101 . 18 MET HA H 4.19 0.02 1 102 . 18 MET CB C 29.0 0.2 1 103 . 18 MET C C 178.3 0.2 1 104 . 19 ARG N N 118.4 0.2 1 105 . 19 ARG H H 7.51 0.02 1 106 . 19 ARG CA C 60.3 0.2 1 107 . 19 ARG HA H 3.76 0.02 1 108 . 19 ARG CB C 30.2 0.2 1 109 . 19 ARG C C 178.5 0.2 1 110 . 20 ILE N N 119.3 0.2 1 111 . 20 ILE H H 7.97 0.02 1 112 . 20 ILE CA C 65.5 0.2 1 113 . 20 ILE HA H 3.66 0.02 1 114 . 20 ILE CB C 39.0 0.2 1 115 . 20 ILE C C 177.4 0.2 1 116 . 21 LEU N N 118.9 0.2 1 117 . 21 LEU H H 7.72 0.02 1 118 . 21 LEU CA C 58.6 0.2 1 119 . 21 LEU HA H 3.86 0.02 1 120 . 21 LEU CB C 41.7 0.2 1 121 . 21 LEU C C 178.6 0.2 1 122 . 22 ILE N N 116.5 0.2 1 123 . 22 ILE H H 8.23 0.02 1 124 . 22 ILE CA C 66.3 0.2 1 125 . 22 ILE HA H 3.55 0.02 1 126 . 22 ILE CB C 38.5 0.2 1 127 . 22 ILE C C 177.5 0.2 1 128 . 23 GLY N N 105.4 0.2 1 129 . 23 GLY H H 8.63 0.02 1 130 . 23 GLY CA C 48.3 0.2 1 131 . 23 GLY HA2 H 3.50 0.02 2 132 . 23 GLY HA3 H 3.65 0.02 2 133 . 23 GLY C C 175.2 0.2 1 134 . 24 LEU N N 120.1 0.2 1 135 . 24 LEU H H 8.77 0.02 1 136 . 24 LEU CA C 57.9 0.2 1 137 . 24 LEU HA H 3.80 0.02 1 138 . 24 LEU CB C 43.0 0.2 1 139 . 24 LEU C C 179.0 0.2 1 140 . 25 LEU N N 120.3 0.2 1 141 . 25 LEU H H 7.95 0.02 1 142 . 25 LEU CA C 57.2 0.2 1 143 . 25 LEU HA H 3.86 0.02 1 144 . 25 LEU CB C 42.4 0.2 1 145 . 25 LEU C C 177.0 0.2 1 146 . 26 VAL N N 114.4 0.2 1 147 . 26 VAL H H 8.25 0.02 1 148 . 26 VAL CA C 65.2 0.2 1 149 . 26 VAL HA H 3.47 0.02 1 150 . 26 VAL CB C 31.8 0.2 1 151 . 26 VAL C C 177.5 0.2 1 152 . 27 GLN N N 113.8 0.2 1 153 . 27 GLN H H 7.52 0.02 1 154 . 27 GLN CA C 58.2 0.2 1 155 . 27 GLN HA H 3.93 0.02 1 156 . 27 GLN CB C 29.5 0.2 1 157 . 27 GLN NE2 N 110.1 0.2 1 158 . 27 GLN HE21 H 7.29 0.02 2 159 . 27 GLN HE22 H 6.73 0.02 2 160 . 27 GLN C C 175.5 0.2 1 161 . 28 ASN N N 115.8 0.2 1 162 . 28 ASN H H 7.60 0.02 1 163 . 28 ASN CA C 50.9 0.2 1 164 . 28 ASN HA H 4.89 0.02 1 165 . 28 ASN ND2 N 112.3 0.2 1 166 . 28 ASN HD21 H 7.53 0.02 2 167 . 28 ASN HD22 H 6.86 0.02 2 168 . 28 ASN C C 170.5 0.2 1 169 . 29 PRO CA C 65.4 0.2 1 170 . 29 PRO HA H 4.40 0.02 1 171 . 29 PRO CB C 32.8 0.2 1 172 . 29 PRO C C 178.2 0.2 1 173 . 30 GLU N N 117.2 0.2 1 174 . 30 GLU H H 9.19 0.02 1 175 . 30 GLU CA C 52.8 0.2 1 176 . 30 GLU HA H 4.12 0.02 1 177 . 30 GLU CB C 27.8 0.2 1 178 . 30 GLU C C 178.3 0.2 1 179 . 31 LEU N N 120.9 0.2 1 180 . 31 LEU H H 8.31 0.02 1 181 . 31 LEU CA C 56.1 0.2 1 182 . 31 LEU HA H 4.12 0.02 1 183 . 31 LEU CB C 39.5 0.2 1 184 . 31 LEU C C 177.3 0.2 1 185 . 32 ALA N N 119.1 0.2 1 186 . 32 ALA H H 7.54 0.02 1 187 . 32 ALA CA C 55.3 0.2 1 188 . 32 ALA HA H 3.77 0.02 1 189 . 32 ALA CB C 19.5 0.2 1 190 . 32 ALA C C 179.0 0.2 1 191 . 33 THR N N 105.6 0.2 1 192 . 33 THR H H 7.17 0.02 1 193 . 33 THR CA C 63.8 0.2 1 194 . 33 THR HA H 3.87 0.02 1 195 . 33 THR CB C 68.9 0.2 1 196 . 33 THR C C 175.0 0.2 1 197 . 34 LEU N N 120.1 0.2 1 198 . 34 LEU H H 7.78 0.02 1 199 . 34 LEU CA C 55.0 0.2 1 200 . 34 LEU HA H 4.26 0.02 1 201 . 34 LEU CB C 42.6 0.2 1 202 . 34 LEU C C 177.0 0.2 1 203 . 35 VAL N N 119.9 0.2 1 204 . 35 VAL H H 7.20 0.02 1 205 . 35 VAL CA C 61.3 0.2 1 206 . 35 VAL HA H 4.12 0.02 1 207 . 35 VAL C C 177.4 0.2 1 208 . 37 PRO CA C 64.4 0.2 1 209 . 37 PRO HA H 4.20 0.02 1 210 . 37 PRO CB C 32.5 0.2 1 211 . 37 PRO C C 178.4 0.2 1 212 . 38 LEU N N 122.6 0.2 1 213 . 38 LEU H H 8.50 0.02 1 214 . 38 LEU CA C 53.7 0.2 1 215 . 38 LEU HA H 4.18 0.02 1 216 . 38 LEU CB C 43.8 0.2 1 217 . 38 LEU C C 178.7 0.2 1 218 . 39 GLU N N 120.8 0.2 1 219 . 39 GLU H H 8.31 0.02 1 220 . 39 GLU CA C 59.1 0.2 1 221 . 39 GLU HA H 3.92 0.02 1 222 . 39 GLU CB C 29.5 0.2 1 223 . 39 GLU C C 176.3 0.2 1 224 . 40 ASN N N 114.8 0.2 1 225 . 40 ASN H H 8.58 0.02 1 226 . 40 ASN CA C 53.5 0.2 1 227 . 40 ASN HA H 4.62 0.02 1 228 . 40 ASN CB C 38.1 0.2 1 229 . 40 ASN ND2 N 113.1 0.2 1 230 . 40 ASN HD21 H 7.50 0.02 2 231 . 40 ASN HD22 H 6.83 0.02 2 232 . 40 ASN C C 174.7 0.2 1 233 . 41 LEU N N 119.1 0.2 1 234 . 41 LEU H H 7.17 0.02 1 235 . 41 LEU CA C 54.3 0.2 1 236 . 41 LEU HA H 4.31 0.02 1 237 . 41 LEU CB C 43.3 0.2 1 238 . 41 LEU C C 176.1 0.2 1 239 . 42 ASP N N 121.2 0.2 1 240 . 42 ASP H H 8.31 0.02 1 241 . 42 ASP CA C 53.1 0.2 1 242 . 42 ASP HA H 4.60 0.02 1 243 . 42 ASP CB C 41.2 0.2 1 244 . 42 ASP C C 176.6 0.2 1 245 . 43 GLU N N 125.0 0.2 1 246 . 43 GLU H H 8.85 0.02 1 247 . 43 GLU CA C 58.2 0.2 1 248 . 43 GLU HA H 3.93 0.02 1 249 . 43 GLU CB C 28.9 0.2 1 250 . 43 GLU C C 176.5 0.2 1 251 . 44 ASN N N 116.4 0.2 1 252 . 44 ASN H H 8.42 0.02 1 253 . 44 ASN CA C 54.9 0.2 1 254 . 44 ASN HA H 4.40 0.02 1 255 . 44 ASN CB C 38.4 0.2 1 256 . 44 ASN ND2 N 115.4 0.2 1 257 . 44 ASN HD21 H 7.90 0.02 2 258 . 44 ASN HD22 H 6.97 0.02 2 259 . 44 ASN C C 176.6 0.2 1 260 . 45 LYS N N 116.5 0.2 1 261 . 45 LYS H H 7.51 0.02 1 262 . 45 LYS CA C 56.9 0.2 1 263 . 45 LYS HA H 4.08 0.02 1 264 . 45 LYS CB C 33.7 0.2 1 265 . 45 LYS C C 175.6 0.2 1 266 . 46 LEU N N 116.9 0.2 1 267 . 46 LEU H H 6.69 0.02 1 268 . 46 LEU CA C 51.3 0.2 1 269 . 46 LEU HA H 4.08 0.02 1 270 . 46 LEU C C 171.6 0.2 1 271 . 47 PRO CA C 64.0 0.2 1 272 . 47 PRO HA H 4.32 0.02 1 273 . 47 PRO CB C 31.4 0.2 1 274 . 47 PRO C C 177.3 0.2 1 275 . 48 GLY N N 113.6 0.2 1 276 . 48 GLY H H 8.50 0.02 1 277 . 48 GLY CA C 45.1 0.2 1 278 . 48 GLY HA2 H 3.58 0.02 2 279 . 48 GLY HA3 H 4.17 0.02 2 280 . 48 GLY C C 174.2 0.2 1 281 . 49 LEU N N 123.0 0.2 1 282 . 49 LEU H H 8.39 0.02 1 283 . 49 LEU CA C 58.2 0.2 1 284 . 49 LEU HA H 4.09 0.02 1 285 . 49 LEU CB C 42.2 0.2 1 286 . 49 LEU C C 178.0 0.2 1 287 . 50 GLY N N 106.8 0.2 1 288 . 50 GLY H H 9.08 0.02 1 289 . 50 GLY CA C 47.3 0.2 1 290 . 50 GLY HA2 H 3.57 0.02 2 291 . 50 GLY HA3 H 3.83 0.02 2 292 . 50 GLY C C 176.3 0.2 1 293 . 51 LEU N N 124.6 0.2 1 294 . 51 LEU H H 7.82 0.02 1 295 . 51 LEU CA C 57.3 0.2 1 296 . 51 LEU HA H 4.17 0.02 1 297 . 51 LEU CB C 41.1 0.2 1 298 . 51 LEU C C 177.4 0.2 1 299 . 52 PHE N N 118.9 0.2 1 300 . 52 PHE H H 8.39 0.02 1 301 . 52 PHE CA C 61.6 0.2 1 302 . 52 PHE HA H 4.02 0.02 1 303 . 52 PHE CB C 39.8 0.2 1 304 . 52 PHE C C 175.8 0.2 1 305 . 53 ARG N N 116.9 0.2 1 306 . 53 ARG H H 8.76 0.02 1 307 . 53 ARG CA C 59.7 0.2 1 308 . 53 ARG HA H 3.51 0.02 1 309 . 53 ARG CB C 31.0 0.2 1 310 . 53 ARG C C 177.6 0.2 1 311 . 54 GLU N N 119.6 0.2 1 312 . 54 GLU H H 7.75 0.02 1 313 . 54 GLU CA C 60.1 0.2 1 314 . 54 GLU HA H 4.00 0.02 1 315 . 54 GLU CB C 29.6 0.2 1 316 . 54 GLU C C 179.0 0.2 1 317 . 55 LEU N N 121.0 0.2 1 318 . 55 LEU H H 8.45 0.02 1 319 . 55 LEU CA C 59.5 0.2 1 320 . 55 LEU HA H 3.90 0.02 1 321 . 55 LEU CB C 43.2 0.2 1 322 . 55 LEU C C 179.2 0.2 1 323 . 56 VAL N N 121.1 0.2 1 324 . 56 VAL H H 8.47 0.02 1 325 . 56 VAL CA C 67.6 0.2 1 326 . 56 VAL HA H 3.96 0.02 1 327 . 56 VAL CB C 31.5 0.2 1 328 . 56 VAL C C 177.4 0.2 1 329 . 57 ASN N N 116.8 0.2 1 330 . 57 ASN H H 7.96 0.02 1 331 . 57 ASN CA C 56.4 0.2 1 332 . 57 ASN HA H 4.25 0.02 1 333 . 57 ASN CB C 37.8 0.2 1 334 . 57 ASN ND2 N 111.9 0.2 1 335 . 57 ASN HD21 H 7.49 0.02 2 336 . 57 ASN HD22 H 6.85 0.02 2 337 . 57 ASN C C 178.9 0.2 1 338 . 58 THR N N 120.2 0.2 1 339 . 58 THR H H 8.43 0.02 1 340 . 58 THR CA C 67.0 0.2 1 341 . 58 THR HA H 3.68 0.02 1 342 . 58 THR CB C 68.3 0.2 1 343 . 58 THR C C 176.2 0.2 1 344 . 59 CYS N N 119.9 0.2 1 345 . 59 CYS H H 8.19 0.02 1 346 . 59 CYS CA C 63.6 0.2 1 347 . 59 CYS HA H 3.98 0.02 1 348 . 59 CYS CB C 27.4 0.2 1 349 . 59 CYS C C 177.4 0.2 1 350 . 60 LEU N N 117.5 0.2 1 351 . 60 LEU H H 8.29 0.02 1 352 . 60 LEU CA C 56.6 0.2 1 353 . 60 LEU HA H 3.94 0.02 1 354 . 60 LEU CB C 41.7 0.2 1 355 . 60 LEU C C 179.0 0.2 1 356 . 61 SER N N 112.7 0.2 1 357 . 61 SER H H 7.53 0.02 1 358 . 61 SER CA C 60.2 0.2 1 359 . 61 SER HA H 4.22 0.02 1 360 . 61 SER CB C 63.8 0.2 1 361 . 61 SER C C 173.8 0.2 1 362 . 62 GLN N N 121.3 0.2 1 363 . 62 GLN H H 7.15 0.02 1 364 . 62 GLN CA C 53.0 0.2 1 365 . 62 GLN HA H 4.59 0.02 1 366 . 62 GLN NE2 N 111.0 0.2 1 367 . 62 GLN HE21 H 7.39 0.02 2 368 . 62 GLN HE22 H 6.65 0.02 2 369 . 62 GLN C C 170.2 0.2 1 370 . 63 PRO CA C 63.7 0.2 1 371 . 63 PRO HA H 4.31 0.02 1 372 . 63 PRO CB C 31.7 0.2 1 373 . 64 GLY N N 111.5 0.2 1 374 . 64 GLY H H 8.70 0.02 1 375 . 64 GLY CA C 45.3 0.2 1 376 . 64 GLY HA2 H 3.65 0.02 2 377 . 64 GLY HA3 H 4.02 0.02 2 378 . 64 GLY C C 174.8 0.2 1 379 . 65 LEU N N 122.6 0.2 1 380 . 65 LEU H H 7.94 0.02 1 381 . 65 LEU CA C 56.1 0.2 1 382 . 65 LEU HA H 4.32 0.02 1 383 . 65 LEU CB C 41.8 0.2 1 384 . 65 LEU C C 176.6 0.2 1 385 . 66 THR N N 110.6 0.2 1 386 . 66 THR H H 7.82 0.02 1 387 . 66 THR CA C 59.2 0.2 1 388 . 66 THR HA H 4.62 0.02 1 389 . 66 THR CB C 72.3 0.2 1 390 . 66 THR C C 176.1 0.2 1 391 . 67 THR N N 118.7 0.2 1 392 . 67 THR H H 8.88 0.02 1 393 . 67 THR CA C 68.1 0.2 1 394 . 67 THR HA H 3.83 0.02 1 395 . 67 THR CB C 70.2 0.2 1 396 . 67 THR C C 175.8 0.2 1 397 . 68 GLY N N 106.2 0.2 1 398 . 68 GLY H H 8.63 0.02 1 399 . 68 GLY CA C 47.2 0.2 1 400 . 68 GLY HA2 H 3.65 0.02 2 401 . 68 GLY HA3 H 3.82 0.02 2 402 . 68 GLY C C 177.1 0.2 1 403 . 69 GLN N N 121.1 0.2 1 404 . 69 GLN H H 7.70 0.02 1 405 . 69 GLN CA C 58.3 0.2 1 406 . 69 GLN HA H 4.04 0.02 1 407 . 69 GLN CB C 29.5 0.2 1 408 . 69 GLN NE2 N 110.3 0.2 1 409 . 69 GLN HE21 H 7.40 0.02 2 410 . 69 GLN HE22 H 6.65 0.02 2 411 . 69 GLN C C 179.4 0.2 1 412 . 70 LEU N N 123.6 0.2 1 413 . 70 LEU H H 8.57 0.02 1 414 . 70 LEU CA C 58.5 0.2 1 415 . 70 LEU HA H 3.99 0.02 1 416 . 70 LEU CB C 41.8 0.2 1 417 . 70 LEU C C 178.6 0.2 1 418 . 71 LEU N N 117.1 0.2 1 419 . 71 LEU H H 8.48 0.02 1 420 . 71 LEU CA C 58.2 0.2 1 421 . 71 LEU HA H 3.97 0.02 1 422 . 71 LEU CB C 40.8 0.2 1 423 . 71 LEU C C 181.0 0.2 1 424 . 72 GLU N N 120.1 0.2 1 425 . 72 GLU H H 7.92 0.02 1 426 . 72 GLU CA C 59.3 0.2 1 427 . 72 GLU HA H 3.98 0.02 1 428 . 72 GLU CB C 29.2 0.2 1 429 . 72 GLU C C 178.8 0.2 1 430 . 73 HIS N N 116.2 0.2 1 431 . 73 HIS H H 7.71 0.02 1 432 . 73 HIS CA C 58.3 0.2 1 433 . 73 HIS HA H 4.09 0.02 1 434 . 73 HIS CB C 28.5 0.2 1 435 . 73 HIS C C 175.2 0.2 1 436 . 74 TYR N N 113.8 0.2 1 437 . 74 TYR H H 7.49 0.02 1 438 . 74 TYR CA C 58.9 0.2 1 439 . 74 TYR HA H 4.17 0.02 1 440 . 74 TYR CB C 39.6 0.2 1 441 . 74 TYR C C 175.6 0.2 1 442 . 75 ARG N N 125.0 0.2 1 443 . 75 ARG H H 7.39 0.02 1 444 . 75 ARG CA C 58.6 0.2 1 445 . 75 ARG HA H 4.00 0.02 1 446 . 75 ARG CB C 30.2 0.2 1 447 . 75 ARG C C 177.1 0.2 1 448 . 76 GLY N N 112.1 0.2 1 449 . 76 GLY H H 9.07 0.02 1 450 . 76 GLY CA C 45.4 0.2 1 451 . 76 GLY HA2 H 3.80 0.02 2 452 . 76 GLY HA3 H 4.01 0.02 2 453 . 76 GLY C C 174.3 0.2 1 454 . 77 THR N N 108.5 0.2 1 455 . 77 THR H H 7.64 0.02 1 456 . 77 THR CA C 60.5 0.2 1 457 . 77 THR HA H 4.82 0.02 1 458 . 77 THR CB C 73.0 0.2 1 459 . 77 THR C C 176.5 0.2 1 460 . 78 ASN N N 119.4 0.2 1 461 . 78 ASN H H 9.17 0.02 1 462 . 78 ASN CA C 55.1 0.2 1 463 . 78 ASN HA H 4.54 0.02 1 464 . 78 ASN CB C 37.9 0.2 1 465 . 78 ASN ND2 N 112.7 0.2 1 466 . 78 ASN HD21 H 7.58 0.02 2 467 . 78 ASN HD22 H 6.90 0.02 2 468 . 78 ASN C C 175.8 0.2 1 469 . 79 ASN N N 114.2 0.2 1 470 . 79 ASN H H 7.79 0.02 1 471 . 79 ASN CA C 53.7 0.2 1 472 . 79 ASN HA H 4.83 0.02 1 473 . 79 ASN CB C 40.2 0.2 1 474 . 79 ASN ND2 N 115.0 0.2 1 475 . 79 ASN HD21 H 7.34 0.02 2 476 . 79 ASN HD22 H 7.23 0.02 2 477 . 79 ASN C C 175.0 0.2 1 478 . 80 ALA N N 123.5 0.2 1 479 . 80 ALA H H 7.39 0.02 1 480 . 80 ALA CA C 56.6 0.2 1 481 . 80 ALA HA H 3.74 0.02 1 482 . 80 ALA CB C 18.7 0.2 1 483 . 80 ALA C C 178.9 0.2 1 484 . 81 ALA N N 119.0 0.2 1 485 . 81 ALA H H 8.37 0.02 1 486 . 81 ALA CA C 55.2 0.2 1 487 . 81 ALA HA H 4.07 0.02 1 488 . 81 ALA CB C 17.7 0.2 1 489 . 81 ALA C C 180.7 0.2 1 490 . 82 THR N N 115.6 0.2 1 491 . 82 THR H H 7.72 0.02 1 492 . 82 THR CA C 66.0 0.2 1 493 . 82 THR HA H 3.72 0.02 1 494 . 82 THR CB C 69.1 0.2 1 495 . 82 THR C C 175.7 0.2 1 496 . 83 LEU N N 119.6 0.2 1 497 . 83 LEU H H 7.74 0.02 1 498 . 83 LEU CA C 57.8 0.2 1 499 . 83 LEU HA H 3.72 0.02 1 500 . 83 LEU CB C 41.2 0.2 1 501 . 83 LEU C C 178.6 0.2 1 502 . 84 GLU N N 119.1 0.2 1 503 . 84 GLU H H 8.43 0.02 1 504 . 84 GLU CA C 59.7 0.2 1 505 . 84 GLU HA H 3.72 0.02 1 506 . 84 GLU CB C 29.4 0.2 1 507 . 84 GLU C C 180.2 0.2 1 508 . 85 LYS N N 119.4 0.2 1 509 . 85 LYS H H 7.71 0.02 1 510 . 85 LYS CA C 59.3 0.2 1 511 . 85 LYS HA H 3.96 0.02 1 512 . 85 LYS CB C 32.1 0.2 1 513 . 85 LYS C C 179.8 0.2 1 514 . 86 LEU N N 118.2 0.2 1 515 . 86 LEU H H 7.93 0.02 1 516 . 86 LEU CA C 57.3 0.2 1 517 . 86 LEU HA H 3.94 0.02 1 518 . 86 LEU CB C 42.6 0.2 1 519 . 86 LEU C C 179.1 0.2 1 520 . 87 SER N N 114.4 0.2 1 521 . 87 SER H H 8.18 0.02 1 522 . 87 SER CA C 61.2 0.2 1 523 . 87 SER HA H 4.00 0.02 1 524 . 87 SER CB C 63.0 0.2 1 525 . 87 SER C C 173.5 0.2 1 526 . 88 MET N N 118.6 0.2 1 527 . 88 MET H H 7.05 0.02 1 528 . 88 MET CA C 54.7 0.2 1 529 . 88 MET HA H 4.56 0.02 1 530 . 88 MET CB C 33.2 0.2 1 531 . 88 MET C C 175.6 0.2 1 532 . 89 TRP N N 122.0 0.2 1 533 . 89 TRP H H 7.15 0.02 1 534 . 89 TRP CA C 55.7 0.2 1 535 . 89 TRP HA H 4.79 0.02 1 536 . 89 TRP CB C 29.2 0.2 1 537 . 89 TRP NE1 N 128.9 0.2 1 538 . 89 TRP HE1 H 10.01 0.02 1 539 . 89 TRP C C 176.1 0.2 1 540 . 90 ASP N N 126.6 0.2 1 541 . 90 ASP H H 8.59 0.02 1 542 . 90 ASP CA C 55.7 0.2 1 543 . 90 ASP HA H 4.37 0.2 1 544 . 90 ASP CB C 40.8 0.2 1 545 . 90 ASP C C 177.4 0.2 1 546 . 91 ASP N N 117.9 0.2 1 547 . 91 ASP H H 7.39 0.02 1 548 . 91 ASP CA C 55.3 0.2 1 549 . 91 ASP HA H 4.20 0.02 1 550 . 91 ASP CB C 40.5 0.2 1 551 . 91 ASP C C 176.2 0.2 1 552 . 92 ILE N N 112.2 0.2 1 553 . 92 ILE H H 6.67 0.02 1 554 . 92 ILE CA C 61.1 0.2 1 555 . 92 ILE HA H 3.93 0.02 1 556 . 92 ILE CB C 37.9 0.2 1 557 . 92 ILE C C 175.7 0.2 1 558 . 93 ALA N N 124.2 0.2 1 559 . 93 ALA H H 7.36 0.02 1 560 . 93 ALA CA C 53.1 0.2 1 561 . 93 ALA HA H 4.20 0.02 1 562 . 93 ALA CB C 20.2 0.2 1 563 . 93 ALA C C 176.8 0.2 1 564 . 94 ASP N N 117.8 0.2 1 565 . 94 ASP H H 7.70 0.02 1 566 . 94 ASP CA C 54.0 0.2 1 567 . 94 ASP HA H 4.47 0.02 1 568 . 94 ASP CB C 40.9 0.2 1 569 . 94 ASP C C 177.3 0.2 1 570 . 95 LYS N N 127.0 0.2 1 571 . 95 LYS H H 8.70 0.02 1 572 . 95 LYS CA C 58.6 0.2 1 573 . 95 LYS HA H 3.90 0.02 1 574 . 95 LYS CB C 32.2 0.2 1 575 . 95 LYS C C 178.4 0.2 1 576 . 96 ASN N N 116.5 0.2 1 577 . 96 ASN H H 8.53 0.02 1 578 . 96 ASN CA C 55.7 0.2 1 579 . 96 ASN HA H 4.44 0.02 1 580 . 96 ASN CB C 38.4 0.2 1 581 . 96 ASN ND2 N 114.6 0.2 1 582 . 96 ASN HD21 H 7.87 0.02 2 583 . 96 ASN HD22 H 6.90 0.02 2 584 . 96 ASN C C 176.7 0.2 1 585 . 97 ILE N N 112.3 0.2 1 586 . 97 ILE H H 7.22 0.02 1 587 . 97 ILE CA C 60.8 0.2 1 588 . 97 ILE HA H 4.60 0.02 1 589 . 97 ILE CB C 38.7 0.2 1 590 . 97 ILE C C 177.3 0.2 1 591 . 98 ALA N N 127.5 0.2 1 592 . 98 ALA H H 7.51 0.02 1 593 . 98 ALA CA C 56.2 0.2 1 594 . 98 ALA HA H 3.90 0.02 1 595 . 98 ALA CB C 18.5 0.2 1 596 . 98 ALA C C 178.4 0.2 1 597 . 99 GLU N N 117.5 0.2 1 598 . 99 GLU H H 8.56 0.02 1 599 . 99 GLU CA C 60.6 0.2 1 600 . 99 GLU HA H 3.74 0.02 1 601 . 99 GLU CB C 29.1 0.2 1 602 . 99 GLU C C 178.3 0.2 1 603 . 100 GLN N N 119.7 0.2 1 604 . 100 GLN H H 8.25 0.02 1 605 . 100 GLN CA C 58.7 0.2 1 606 . 100 GLN HA H 3.98 0.02 1 607 . 100 GLN CB C 28.6 0.2 1 608 . 100 GLN NE2 N 113.3 0.2 1 609 . 100 GLN HE21 H 7.63 0.02 2 610 . 100 GLN HE22 H 6.75 0.02 2 611 . 100 GLN C C 178.0 0.2 1 612 . 101 THR N N 116.1 0.2 1 613 . 101 THR H H 8.29 0.02 1 614 . 101 THR CA C 66.5 0.2 1 615 . 101 THR HA H 3.95 0.02 1 616 . 101 THR CB C 68.5 0.2 1 617 . 101 THR C C 176.7 0.2 1 618 . 102 PHE N N 125.4 0.2 1 619 . 102 PHE H H 8.88 0.02 1 620 . 102 PHE CA C 62.7 0.2 1 621 . 102 PHE HA H 3.83 0.02 1 622 . 102 PHE CB C 40.6 0.2 1 623 . 102 PHE C C 176.5 0.2 1 624 . 103 THR N N 113.3 0.2 1 625 . 103 THR H H 8.68 0.02 1 626 . 103 THR CA C 66.8 0.2 1 627 . 103 THR HA H 3.76 0.02 1 628 . 103 THR CB C 68.6 0.2 1 629 . 103 THR C C 177.0 0.2 1 630 . 104 ASP N N 122.1 0.2 1 631 . 104 ASP H H 8.28 0.02 1 632 . 104 ASP CA C 57.6 0.2 1 633 . 104 ASP HA H 4.36 0.02 1 634 . 104 ASP CB C 40.9 0.2 1 635 . 104 ASP C C 179.2 0.2 1 636 . 105 SER N N 116.6 0.2 1 637 . 105 SER H H 8.08 0.02 1 638 . 105 SER CA C 63.6 0.2 1 639 . 105 SER HA H 4.11 0.02 1 640 . 105 SER CB C 62.8 0.2 1 641 . 105 SER C C 175.6 0.2 1 642 . 106 LEU N N 124.6 0.2 1 643 . 106 LEU H H 8.38 0.02 1 644 . 106 LEU CA C 57.8 0.2 1 645 . 106 LEU HA H 3.62 0.02 1 646 . 106 LEU CB C 42.0 0.2 1 647 . 106 LEU C C 178.3 0.2 1 648 . 107 ASN N N 116.5 0.2 1 649 . 107 ASN H H 7.70 0.02 1 650 . 107 ASN CA C 56.1 0.2 1 651 . 107 ASN HA H 4.51 0.02 1 652 . 107 ASN CB C 37.4 0.2 1 653 . 107 ASN ND2 N 112.6 0.2 1 654 . 107 ASN HD21 H 7.63 0.02 1 655 . 107 ASN HD22 H 7.63 0.02 1 656 . 107 ASN C C 177.8 0.2 1 657 . 108 HIS N N 117.0 0.2 1 658 . 108 HIS H H 7.82 0.02 1 659 . 108 HIS CA C 58.0 0.2 1 660 . 108 HIS HA H 4.49 0.02 1 661 . 108 HIS CB C 28.5 0.2 1 662 . 108 HIS C C 177.3 0.2 1 663 . 109 MET N N 122.7 0.2 1 664 . 109 MET H H 8.31 0.02 1 665 . 109 MET CA C 59.7 0.2 1 666 . 109 MET HA H 3.68 0.02 1 667 . 109 MET CB C 31.1 0.2 1 668 . 109 MET C C 177.8 0.2 1 669 . 110 PHE N N 117.4 0.2 1 670 . 110 PHE H H 8.17 0.02 1 671 . 110 PHE CA C 62.2 0.2 1 672 . 110 PHE HA H 4.19 0.02 1 673 . 110 PHE CB C 38.3 0.2 1 674 . 110 PHE C C 178.9 0.2 1 675 . 111 ASP N N 120.7 0.2 1 676 . 111 ASP H H 8.30 0.02 1 677 . 111 ASP CA C 57.6 0.2 1 678 . 111 ASP HA H 4.41 0.02 1 679 . 111 ASP CB C 39.8 0.2 1 680 . 111 ASP C C 178.6 0.2 1 681 . 112 SER N N 116.3 0.2 1 682 . 112 SER H H 8.23 0.02 1 683 . 112 SER CA C 61.8 0.2 1 684 . 112 SER HA H 4.23 0.02 1 685 . 112 SER CB C 62.7 0.2 1 686 . 112 SER C C 176.3 0.2 1 687 . 113 LEU N N 122.1 0.2 1 688 . 113 LEU H H 7.69 0.02 1 689 . 113 LEU CA C 57.8 0.2 1 690 . 113 LEU HA H 4.07 0.02 1 691 . 113 LEU CB C 41.6 0.2 1 692 . 113 LEU C C 180.2 0.2 1 693 . 114 LEU N N 121.3 0.2 1 694 . 114 LEU H H 7.82 0.02 1 695 . 114 LEU CA C 58.6 0.2 1 696 . 114 LEU HA H 3.94 0.02 1 697 . 114 LEU CB C 41.7 0.2 1 698 . 114 LEU C C 178.8 0.2 1 699 . 115 GLU N N 119.2 0.2 1 700 . 115 GLU H H 8.08 0.02 1 701 . 115 GLU CA C 59.6 0.2 1 702 . 115 GLU HA H 3.85 0.02 1 703 . 115 GLU CB C 29.6 0.2 1 704 . 115 GLU C C 179.2 0.2 1 705 . 116 LEU N N 119.4 0.2 1 706 . 116 LEU H H 8.02 0.02 1 707 . 116 LEU CA C 57.9 0.2 1 708 . 116 LEU HA H 4.08 0.02 1 709 . 116 LEU CB C 42.0 0.2 1 710 . 116 LEU C C 179.8 0.2 1 711 . 117 ARG N N 121.3 0.2 1 712 . 117 ARG H H 7.71 0.02 1 713 . 117 ARG CA C 57.4 0.2 1 714 . 117 ARG HA H 4.15 0.02 1 715 . 117 ARG CB C 30.9 0.2 1 716 . 117 ARG C C 177.3 0.2 1 717 . 118 GLN N N 120.9 0.2 1 718 . 118 GLN H H 8.45 0.02 1 719 . 118 GLN CA C 60.2 0.2 1 720 . 118 GLN HA H 3.65 0.02 1 721 . 118 GLN CB C 28.7 0.2 1 722 . 118 GLN NE2 N 111.1 0.2 1 723 . 118 GLN HE21 H 7.76 0.02 2 724 . 118 GLN HE22 H 6.60 0.02 2 725 . 118 GLN C C 177.5 0.2 1 726 . 119 GLU N N 117.5 0.2 1 727 . 119 GLU H H 8.19 0.02 1 728 . 119 GLU CA C 59.4 0.2 1 729 . 119 GLU HA H 3.87 0.02 1 730 . 119 GLU CB C 29.5 0.2 1 731 . 119 GLU C C 179.1 0.2 1 732 . 120 GLU N N 121.0 0.2 1 733 . 120 GLU H H 8.00 0.02 1 734 . 120 GLU CA C 59.0 0.2 1 735 . 120 GLU HA H 4.03 0.02 1 736 . 120 GLU CB C 29.9 0.2 1 737 . 120 GLU C C 179.5 0.2 1 738 . 121 LEU N N 120.6 0.2 1 739 . 121 LEU H H 8.23 0.02 1 740 . 121 LEU CA C 57.9 0.2 1 741 . 121 LEU HA H 3.96 0.02 1 742 . 121 LEU CB C 43.0 0.2 1 743 . 121 LEU C C 178.5 0.2 1 744 . 122 ILE N N 121.4 0.2 1 745 . 122 ILE H H 8.47 0.02 1 746 . 122 ILE CA C 65.0 0.2 1 747 . 122 ILE HA H 3.67 0.02 1 748 . 122 ILE CB C 38.0 0.2 1 749 . 122 ILE C C 178.9 0.2 1 750 . 123 ALA N N 121.7 0.2 1 751 . 123 ALA H H 7.86 0.02 1 752 . 123 ALA CA C 55.0 0.2 1 753 . 123 ALA HA H 4.06 0.02 1 754 . 123 ALA CB C 17.9 0.2 1 755 . 123 ALA C C 180.3 0.2 1 756 . 124 ARG N N 119.5 0.2 1 757 . 124 ARG H H 8.08 0.02 1 758 . 124 ARG CA C 58.7 0.2 1 759 . 124 ARG HA H 4.07 0.02 1 760 . 124 ARG CB C 30.2 0.2 1 761 . 124 ARG C C 178.5 0.2 1 762 . 125 GLU N N 122.7 0.2 1 763 . 125 GLU H H 8.68 0.02 1 764 . 125 GLU CA C 60.1 0.2 1 765 . 125 GLU HA H 3.58 0.02 1 766 . 125 GLU CB C 29.0 0.2 1 767 . 125 GLU C C 177.4 0.2 1 768 . 126 ARG N N 114.8 0.2 1 769 . 126 ARG H H 7.39 0.02 1 770 . 126 ARG CA C 58.3 0.2 1 771 . 126 ARG HA H 4.09 0.02 1 772 . 126 ARG CB C 30.7 0.2 1 773 . 126 ARG C C 177.7 0.2 1 774 . 127 THR N N 108.6 0.2 1 775 . 127 THR H H 7.72 0.02 1 776 . 127 THR CA C 63.0 0.2 1 777 . 127 THR HA H 4.05 0.02 1 778 . 127 THR CB C 69.5 0.2 1 779 . 127 THR C C 175.3 0.2 1 780 . 128 HIS N N 119.2 0.2 1 781 . 128 HIS H H 8.45 0.02 1 782 . 128 HIS CA C 57.3 0.2 1 783 . 128 HIS HA H 4.62 0.02 1 784 . 128 HIS CB C 32.2 0.2 1 785 . 128 HIS C C 175.7 0.2 1 786 . 129 GLY N N 109.2 0.2 1 787 . 129 GLY H H 8.07 0.02 1 788 . 129 GLY CA C 44.0 0.2 1 789 . 129 GLY HA2 H 3.91 0.02 2 790 . 129 GLY HA3 H 4.34 0.02 2 791 . 129 GLY C C 172.3 0.2 1 792 . 130 LEU N N 118.7 0.2 1 793 . 130 LEU H H 8.32 0.02 1 794 . 130 LEU CA C 53.4 0.2 1 795 . 130 LEU HA H 4.80 0.02 1 796 . 130 LEU CB C 44.2 0.2 1 797 . 130 LEU C C 178.1 0.2 1 798 . 131 SER N N 119.0 0.2 1 799 . 131 SER H H 9.32 0.02 1 800 . 131 SER CA C 56.9 0.2 1 801 . 131 SER HA H 4.50 0.02 1 802 . 131 SER CB C 65.5 0.2 1 803 . 131 SER C C 175.0 0.2 1 804 . 132 ASN N N 119.8 0.2 1 805 . 132 ASN H H 9.12 0.02 1 806 . 132 ASN CA C 56.9 0.2 1 807 . 132 ASN HA H 4.30 0.02 1 808 . 132 ASN CB C 37.9 0.2 1 809 . 132 ASN ND2 N 113.5 0.2 1 810 . 132 ASN HD21 H 7.69 0.02 2 811 . 132 ASN HD22 H 6.93 0.02 2 812 . 132 ASN C C 177.7 0.2 1 813 . 133 GLU N N 119.1 0.2 1 814 . 133 GLU H H 8.82 0.02 1 815 . 133 GLU CA C 60.5 0.2 1 816 . 133 GLU HA H 3.93 0.02 1 817 . 133 GLU CB C 28.9 0.2 1 818 . 133 GLU C C 179.8 0.2 1 819 . 134 GLU N N 121.6 0.2 1 820 . 134 GLU H H 7.79 0.02 1 821 . 134 GLU CA C 58.6 0.2 1 822 . 134 GLU HA H 4.05 0.02 1 823 . 134 GLU CB C 31.3 0.2 1 824 . 134 GLU C C 178.1 0.2 1 825 . 135 ARG N N 120.2 0.2 1 826 . 135 ARG H H 8.61 0.02 1 827 . 135 ARG CA C 59.8 0.2 1 828 . 135 ARG HA H 3.78 0.02 1 829 . 135 ARG CB C 29.5 0.2 1 830 . 135 ARG C C 178.7 0.2 1 831 . 136 LEU N N 120.3 0.2 1 832 . 136 LEU H H 7.63 0.02 1 833 . 136 LEU CA C 57.6 0.2 1 834 . 136 LEU HA H 4.16 0.02 1 835 . 136 LEU CB C 41.4 0.2 1 836 . 136 LEU C C 179.5 0.2 1 837 . 137 GLU N N 123.5 0.2 1 838 . 137 GLU H H 7.99 0.02 1 839 . 137 GLU CA C 59.6 0.2 1 840 . 137 GLU HA H 3.92 0.02 1 841 . 137 GLU CB C 29.1 0.2 1 842 . 137 GLU C C 178.1 0.2 1 843 . 138 LEU N N 120.2 0.2 1 844 . 138 LEU H H 8.53 0.02 1 845 . 138 LEU CA C 58.0 0.2 1 846 . 138 LEU HA H 3.98 0.2 1 847 . 138 LEU CB C 41.4 0.2 1 848 . 138 LEU C C 177.4 0.2 1 849 . 139 TRP N N 119.4 0.2 1 850 . 139 TRP H H 8.28 0.02 1 851 . 139 TRP CA C 61.2 0.2 1 852 . 139 TRP HA H 4.21 0.02 1 853 . 139 TRP CB C 28.7 0.2 1 854 . 139 TRP NE1 N 129.3 0.2 1 855 . 139 TRP HE1 H 10.06 0.02 1 856 . 139 TRP C C 178.8 0.2 1 857 . 140 THR N N 116.2 0.2 1 858 . 140 THR H H 8.34 0.02 1 859 . 140 THR CA C 67.0 0.2 1 860 . 140 THR HA H 3.66 0.02 1 861 . 140 THR CB C 68.9 0.2 1 862 . 140 THR C C 176.6 0.2 1 863 . 141 LEU N N 123.7 0.2 1 864 . 141 LEU H H 8.50 0.02 1 865 . 141 LEU CA C 58.1 0.2 1 866 . 141 LEU HA H 3.97 0.02 1 867 . 141 LEU CB C 42.1 0.2 1 868 . 141 LEU C C 178.4 0.2 1 869 . 142 ASN N N 117.3 0.2 1 870 . 142 ASN H H 8.63 0.02 1 871 . 142 ASN CA C 55.3 0.2 1 872 . 142 ASN HA H 4.22 0.02 1 873 . 142 ASN CB C 37.4 0.2 1 874 . 142 ASN ND2 N 108.7 0.2 1 875 . 142 ASN HD21 H 7.29 0.02 2 876 . 142 ASN HD22 H 6.30 0.02 2 877 . 142 ASN C C 178.4 0.2 1 878 . 143 GLN N N 117.8 0.2 1 879 . 143 GLN H H 7.55 0.02 1 880 . 143 GLN CA C 57.8 0.2 1 881 . 143 GLN HA H 3.80 0.02 1 882 . 143 GLN CB C 28.6 0.2 1 883 . 143 GLN NE2 N 112.2 0.2 1 884 . 143 GLN HE21 H 6.64 0.02 2 885 . 143 GLN HE22 H 6.41 0.02 2 886 . 143 GLN C C 178.2 0.2 1 887 . 144 GLU N N 119.5 0.2 1 888 . 144 GLU H H 7.96 0.02 1 889 . 144 GLU CA C 58.3 0.2 1 890 . 144 GLU HA H 3.96 0.02 1 891 . 144 GLU CB C 29.6 0.2 1 892 . 144 GLU C C 178.9 0.2 1 893 . 145 LEU N N 118.2 0.2 1 894 . 145 LEU H H 8.24 0.02 1 895 . 145 LEU CA C 55.9 0.2 1 896 . 145 LEU HA H 4.09 0.02 1 897 . 145 LEU CB C 41.7 0.2 1 898 . 145 LEU C C 177.7 0.2 1 899 . 146 ALA N N 121.6 0.2 1 900 . 146 ALA H H 7.28 0.02 1 901 . 146 ALA CA C 53.0 0.2 1 902 . 146 ALA HA H 4.13 0.02 1 903 . 146 ALA CB C 18.7 0.2 1 904 . 146 ALA C C 177.7 0.2 1 905 . 147 LYS N N 118.9 0.2 1 906 . 147 LYS H H 7.61 0.02 1 907 . 147 LYS CA C 56.1 0.2 1 908 . 147 LYS HA H 4.17 0.02 1 909 . 147 LYS CB C 32.7 0.2 1 910 . 147 LYS C C 175.7 0.2 1 911 . 148 LYS N N 126.9 0.2 1 912 . 148 LYS H H 7.61 0.02 1 913 . 148 LYS CA C 57.5 0.2 1 914 . 148 LYS HA H 4.05 0.02 1 915 . 148 LYS C C 181.2 0.2 1 stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name DnaG-C _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 ALA N N 123.6 . 1 2 . 2 ALA H H 8.66 . 1 3 . 3 GLU N N 120.9 . 1 4 . 3 GLU H H 8.59 . 1 5 . 4 SER N N 116.9 . 1 6 . 4 SER H H 8.42 . 1 7 . 5 GLY N N 111.0 . 1 8 . 5 GLY H H 8.47 . 1 9 . 6 VAL N N 118.9 . 1 10 . 6 VAL H H 7.93 . 1 11 . 7 SER N N 119.9 . 1 12 . 7 SER H H 8.40 . 1 13 . 8 ARG N N 124.2 . 1 14 . 8 ARG H H 8.30 . 1 15 . 10 VAL N N 122.0 . 1 16 . 10 VAL H H 8.27 . 1 17 . 12 GLN N N 120.8 . 1 18 . 12 GLN H H 8.44 . 1 19 . 13 LEU N N 123.6 . 1 20 . 13 LEU H H 8.24 . 1 21 . 14 LYS N N 122.0 . 1 22 . 14 LYS H H 8.27 . 1 23 . 15 ARG N N 122.4 . 1 24 . 15 ARG H H 8.57 . 1 25 . 15 ARG HA H 4.72 . 1 26 . 16 THR N N 115.1 . 1 27 . 16 THR HG2 H 1.10 . 1 28 . 17 THR N N 118.3 . 1 29 . 17 THR H H 8.24 . 1 30 . 17 THR HA H 4.40 . 1 31 . 17 THR HB H 4.49 . 1 32 . 17 THR HG2 H 1.21 . 1 33 . 18 MET N N 115.1 . 1 34 . 18 MET H H 8.33 . 1 35 . 18 MET HA H 4.30 . 1 36 . 19 ARG N N 118.3 . 1 37 . 19 ARG H H 7.62 . 1 38 . 19 ARG HA H 3.86 . 1 39 . 19 ARG HB2 H 2.02 . 2 40 . 19 ARG HB3 H 1.84 . 2 41 . 19 ARG HG2 H 1.54 . 1 42 . 19 ARG HG3 H 1.54 . 1 43 . 20 ILE N N 119.4 . 1 44 . 20 ILE H H 8.01 . 1 45 . 20 ILE CA C 65.7 . 1 46 . 20 ILE HA H 3.75 . 1 47 . 20 ILE CB C 38.1 . 1 48 . 20 ILE HB H 2.03 . 1 49 . 20 ILE HG2 H 0.81 . 1 50 . 20 ILE CG2 C 17.7 . 1 51 . 20 ILE CG1 C 29.3 . 1 52 . 20 ILE HG12 H 0.97 . 1 53 . 20 ILE HG13 H 1.76 . 1 54 . 20 ILE HD1 H 0.76 . 1 55 . 20 ILE CD1 C 13.3 . 1 56 . 21 LEU N N 119.0 . 1 57 . 21 LEU H H 7.80 . 1 58 . 21 LEU CA C 58.5 . 1 59 . 21 LEU HA H 3.95 . 1 60 . 21 LEU CB C 41.5 . 1 61 . 21 LEU HB2 H 1.37 . 1 62 . 21 LEU HB3 H 0.64 . 1 63 . 21 LEU HG H 1.39 . 1 64 . 21 LEU HD1 H 0.21 . 2 65 . 21 LEU HD2 H 0.15 . 2 66 . 21 LEU CD1 C 26.4 . 1 67 . 21 LEU CD2 C 25.0 . 1 68 . 22 ILE N N 116.4 . 1 69 . 22 ILE H H 8.32 . 1 70 . 22 ILE CA C 66.2 . 1 71 . 22 ILE HA H 3.64 . 1 72 . 22 ILE CB C 38.6 . 1 73 . 22 ILE HB H 1.69 . 1 74 . 22 ILE HG2 H 0.69 . 1 75 . 22 ILE CG2 C 18.2 . 1 76 . 22 ILE CG1 C 31.8 . 1 77 . 22 ILE HG12 H 1.98 . 2 78 . 22 ILE HG13 H 0.75 . 2 79 . 22 ILE HD1 H 0.85 . 1 80 . 22 ILE CD1 C 13.3 . 1 81 . 23 GLY N N 105.4 . 1 82 . 23 GLY H H 8.72 . 1 83 . 23 GLY CA C 48.3 . 1 84 . 23 GLY HA2 H 3.75 . 1 85 . 23 GLY HA3 H 3.61 . 1 86 . 24 LEU N N 120.1 . 1 87 . 24 LEU H H 8.87 . 1 88 . 24 LEU CA C 58.0 . 1 89 . 24 LEU HA H 3.89 . 1 90 . 24 LEU CB C 42.9 . 1 91 . 24 LEU HB2 H 2.36 . 1 92 . 24 LEU HB3 H 1.15 . 1 93 . 24 LEU HG H 1.97 . 1 94 . 24 LEU HD1 H 0.99 . 2 95 . 24 LEU HD2 H 0.92 . 2 96 . 24 LEU CD1 C 27.4 . 1 97 . 24 LEU CD2 C 24.0 . 1 98 . 25 LEU N N 120.3 . 1 99 . 25 LEU H H 8.01 . 1 100 . 25 LEU CA C 57.0 . 1 101 . 25 LEU HA H 3.95 . 1 102 . 25 LEU CB C 42.5 . 1 103 . 25 LEU HB2 H 1.75 . 1 104 . 25 LEU HB3 H 2.12 . 1 105 . 25 LEU CG C 29.3 . 1 106 . 25 LEU HG H 0.76 . 1 107 . 25 LEU HD1 H 1.50 . 2 108 . 25 LEU HD2 H 0.89 . 2 109 . 25 LEU CD1 C 26.9 . 1 110 . 25 LEU CD2 C 25.0 . 1 111 . 26 VAL N N 114.4 . 1 112 . 26 VAL H H 8.32 . 1 113 . 26 VAL CA C 65.3 . 1 114 . 26 VAL HA H 3.56 . 1 115 . 26 VAL CB C 31.8 . 1 116 . 26 VAL HB H 2.13 . 1 117 . 26 VAL HG1 H 0.92 . 1 118 . 26 VAL HG2 H 1.02 . 1 119 . 26 VAL CG1 C 24.0 . 1 120 . 26 VAL CG2 C 22.1 . 1 121 . 27 GLN N N 114.0 . 1 122 . 27 GLN H H 7.61 . 1 123 . 27 GLN HA H 4.03 . 1 124 . 27 GLN HB2 H 2.22 . 2 125 . 27 GLN HB3 H 1.84 . 2 126 . 27 GLN HG2 H 2.79 . 2 127 . 27 GLN HG3 H 2.43 . 2 128 . 27 GLN HE21 H 7.39 . 2 129 . 27 GLN HE22 H 6.80 . 2 130 . 28 ASN N N 115.9 . 1 131 . 28 ASN H H 7.70 . 1 132 . 28 ASN HA H 4.99 . 1 133 . 28 ASN CB C 39.5 . 1 134 . 28 ASN HB2 H 2.95 . 2 135 . 28 ASN HB3 H 2.27 . 2 136 . 29 PRO CD C 49.2 . 1 137 . 29 PRO CA C 65.3 . 1 138 . 29 PRO HA H 4.51 . 1 139 . 29 PRO CB C 32.7 . 1 140 . 29 PRO HB2 H 2.43 . 2 141 . 29 PRO HB3 H 1.97 . 2 142 . 29 PRO CG C 26.9 . 1 143 . 29 PRO HG2 H 1.89 . 2 144 . 29 PRO HG3 H 1.78 . 2 145 . 29 PRO HD2 H 3.58 . 2 146 . 29 PRO HD3 H 3.52 . 2 147 . 30 GLU N N 117.2 . 1 148 . 30 GLU H H 9.26 . 1 149 . 30 GLU HA H 4.20 . 1 150 . 30 GLU CB C 27.8 . 1 151 . 30 GLU HB2 H 2.07 . 1 152 . 30 GLU HB3 H 2.07 . 1 153 . 30 GLU HG2 H 2.38 . 2 154 . 30 GLU HG3 H 2.06 . 2 155 . 31 LEU N N 121.0 . 1 156 . 31 LEU H H 8.41 . 1 157 . 31 LEU CA C 56.0 . 1 158 . 31 LEU HA H 3.89 . 1 159 . 31 LEU CB C 39.5 . 1 160 . 31 LEU HB2 H 1.04 . 1 161 . 31 LEU HB3 H 0.34 . 1 162 . 31 LEU HG H 1.58 . 1 163 . 31 LEU HD1 H 0.30 . 2 164 . 31 LEU HD2 H 0.59 . 2 165 . 31 LEU CD1 C 25.9 . 1 166 . 31 LEU CD2 C 21.6 . 1 167 . 32 ALA N N 119.2 . 1 168 . 32 ALA H H 7.64 . 1 169 . 32 ALA CA C 55.3 . 1 170 . 32 ALA HA H 3.86 . 1 171 . 32 ALA HB H 1.54 . 1 172 . 33 THR N N 105.6 . 1 173 . 33 THR H H 7.28 . 1 174 . 33 THR CA C 63.8 . 1 175 . 33 THR HA H 3.97 . 1 176 . 33 THR CB C 68.9 . 1 177 . 33 THR HB H 4.34 . 1 178 . 33 THR HG2 H 1.28 . 1 179 . 33 THR CG2 C 21.9 . 1 180 . 34 LEU N N 120.1 . 1 181 . 34 LEU H H 7.88 . 1 182 . 34 LEU CA C 55.1 . 1 183 . 34 LEU HA H 4.38 . 1 184 . 34 LEU CB C 42.5 . 1 185 . 34 LEU HB2 H 2.10 . 2 186 . 34 LEU HB3 H 1.76 . 2 187 . 34 LEU CG C 26.9 . 1 188 . 34 LEU HG H 1.70 . 1 189 . 34 LEU HD1 H 1.00 . 2 190 . 34 LEU HD2 H 0.88 . 2 191 . 34 LEU CD1 C 26.4 . 1 192 . 34 LEU CD2 C 22.6 . 1 193 . 35 VAL N N 120.1 . 1 194 . 35 VAL H H 7.30 . 1 195 . 35 VAL CA C 61.4 . 1 196 . 35 VAL HA H 4.20 . 1 197 . 35 VAL CB C 32.7 . 1 198 . 35 VAL HB H 2.27 . 1 199 . 35 VAL HG1 H 1.42 . 1 200 . 35 VAL HG2 H 1.44 . 1 201 . 35 VAL CG1 C 24.5 . 1 202 . 35 VAL CG2 C 21.6 . 1 203 . 36 PRO HA H 4.20 . 1 204 . 36 PRO HB2 H 2.01 . 1 205 . 36 PRO HB3 H 2.01 . 1 206 . 36 PRO HG2 H 1.86 . 1 207 . 36 PRO HG3 H 1.86 . 1 208 . 36 PRO HD2 H 3.61 . 1 209 . 36 PRO HD3 H 3.61 . 1 210 . 37 PRO CD C 49.7 . 1 211 . 37 PRO CA C 64.3 . 1 212 . 37 PRO HA H 4.32 . 1 213 . 37 PRO CB C 31.8 . 1 214 . 37 PRO HB2 H 2.52 . 1 215 . 37 PRO HB3 H 2.52 . 1 216 . 37 PRO CG C 27.9 . 1 217 . 37 PRO HG2 H 2.14 . 1 218 . 37 PRO HG3 H 2.14 . 1 219 . 37 PRO HD2 H 3.52 . 1 220 . 37 PRO HD3 H 3.77 . 1 221 . 38 LEU N N 122.7 . 1 222 . 38 LEU H H 8.57 . 1 223 . 38 LEU HA H 4.32 . 1 224 . 38 LEU CB C 43.9 . 1 225 . 38 LEU HB2 H 1.75 . 2 226 . 38 LEU HB3 H 1.64 . 2 227 . 38 LEU HD1 H 0.81 . 2 228 . 38 LEU HD2 H 0.83 . 2 229 . 38 LEU CD1 C 26.4 . 1 230 . 39 GLU N N 120.8 . 1 231 . 39 GLU H H 8.37 . 1 232 . 39 GLU CA C 59.1 . 1 233 . 39 GLU HA H 4.02 . 1 234 . 39 GLU CB C 29.5 . 1 235 . 39 GLU HB2 H 2.04 . 1 236 . 39 GLU HB3 H 2.04 . 1 237 . 39 GLU CG C 35.7 . 1 238 . 39 GLU HG2 H 2.28 . 1 239 . 39 GLU HG3 H 2.28 . 1 240 . 40 ASN N N 115.1 . 1 241 . 40 ASN H H 8.67 . 1 242 . 40 ASN CA C 53.5 . 1 243 . 40 ASN HA H 4.70 . 1 244 . 40 ASN CB C 38.1 . 1 245 . 40 ASN HB2 H 2.92 . 2 246 . 40 ASN HB3 H 2.75 . 2 247 . 40 ASN HD21 H 7.57 . 2 248 . 40 ASN HD22 H 6.91 . 2 249 . 41 LEU N N 119.2 . 1 250 . 41 LEU H H 7.28 . 1 251 . 41 LEU CA C 54.1 . 1 252 . 41 LEU HA H 4.40 . 1 253 . 41 LEU CB C 43.4 . 1 254 . 41 LEU HB2 H 1.70 . 2 255 . 41 LEU HB3 H 1.24 . 2 256 . 41 LEU HG H 1.66 . 1 257 . 41 LEU HD1 H 0.87 . 2 258 . 41 LEU HD2 H 0.83 . 2 259 . 41 LEU CD1 C 26.4 . 1 260 . 41 LEU CD2 C 22.6 . 1 261 . 42 ASP N N 121.4 . 1 262 . 42 ASP H H 8.37 . 1 263 . 42 ASP CA C 53.1 . 1 264 . 42 ASP HA H 4.67 . 1 265 . 42 ASP CB C 41.2 . 1 266 . 42 ASP HB2 H 2.83 . 2 267 . 42 ASP HB3 H 2.63 . 2 268 . 43 GLU N N 124.9 . 1 269 . 43 GLU H H 8.94 . 1 270 . 43 GLU CA C 58.2 . 1 271 . 43 GLU HA H 4.02 . 1 272 . 43 GLU CB C 28.9 . 1 273 . 43 GLU HB2 H 2.14 . 2 274 . 43 GLU HB3 H 1.96 . 2 275 . 43 GLU CG C 34.7 . 1 276 . 43 GLU HG2 H 2.29 . 2 277 . 43 GLU HG3 H 2.22 . 2 278 . 44 ASN N N 116.6 . 1 279 . 44 ASN H H 8.52 . 1 280 . 44 ASN CA C 54.9 . 1 281 . 44 ASN HA H 4.50 . 1 282 . 44 ASN CB C 38.4 . 1 283 . 44 ASN HB2 H 2.90 . 2 284 . 44 ASN HB3 H 2.75 . 2 285 . 44 ASN HD21 H 7.99 . 2 286 . 44 ASN HD22 H 7.04 . 2 287 . 45 LYS N N 116.6 . 1 288 . 45 LYS H H 7.61 . 1 289 . 45 LYS CA C 56.9 . 1 290 . 45 LYS HA H 4.18 . 1 291 . 45 LYS CB C 33.7 . 1 292 . 45 LYS HB2 H 1.83 . 2 293 . 45 LYS HB3 H 1.68 . 2 294 . 45 LYS HG2 H 1.42 . 1 295 . 45 LYS HG3 H 1.42 . 1 296 . 45 LYS HD2 H 1.56 . 1 297 . 45 LYS HD3 H 1.56 . 1 298 . 45 LYS HE2 H 2.97 . 1 299 . 45 LYS HE3 H 2.97 . 1 300 . 46 LEU N N 117.0 . 1 301 . 46 LEU H H 6.81 . 1 302 . 46 LEU HA H 4.02 . 1 303 . 46 LEU CB C 45.0 . 1 304 . 46 LEU HB2 H 1.51 . 1 305 . 46 LEU HB3 H 1.33 . 1 306 . 46 LEU HG H 1.42 . 1 307 . 46 LEU HD1 H 1.10 . 2 308 . 46 LEU HD2 H 0.84 . 2 309 . 47 PRO CD C 50.1 . 1 310 . 47 PRO CA C 64.0 . 1 311 . 47 PRO HA H 4.25 . 1 312 . 47 PRO CB C 31.9 . 1 313 . 47 PRO HB2 H 2.30 . 1 314 . 47 PRO HB3 H 2.30 . 1 315 . 47 PRO CG C 28.1 . 1 316 . 48 GLY N N 113.5 . 1 317 . 48 GLY H H 8.60 . 1 318 . 48 GLY HA2 H 4.41 . 2 319 . 48 GLY HA3 H 3.68 . 2 320 . 49 LEU N N 123.2 . 1 321 . 49 LEU H H 8.49 . 1 322 . 49 LEU HA H 4.17 . 1 323 . 49 LEU CB C 42.0 . 1 324 . 49 LEU HB2 H 2.00 . 2 325 . 49 LEU HB3 H 1.79 . 2 326 . 49 LEU CG C 27.4 . 1 327 . 49 LEU HG H 1.62 . 1 328 . 49 LEU HD1 H 0.91 . 2 329 . 49 LEU HD2 H 1.09 . 2 330 . 49 LEU CD1 C 26.4 . 1 331 . 49 LEU CD2 C 24.0 . 1 332 . 50 GLY N N 106.7 . 1 333 . 50 GLY H H 9.16 . 1 334 . 50 GLY HA2 H 3.92 . 2 335 . 50 GLY HA3 H 3.68 . 2 336 . 51 LEU N N 124.5 . 1 337 . 51 LEU H H 7.89 . 1 338 . 51 LEU HA H 4.27 . 1 339 . 51 LEU CB C 41.0 . 1 340 . 51 LEU HB2 H 1.82 . 2 341 . 51 LEU HB3 H 1.50 . 2 342 . 51 LEU CG C 26.9 . 1 343 . 51 LEU HD1 H 0.80 . 2 344 . 51 LEU HD2 H 0.77 . 2 345 . 51 LEU CD1 C 25.5 . 1 346 . 51 LEU CD2 C 22.1 . 1 347 . 52 PHE N N 119.2 . 1 348 . 52 PHE H H 8.46 . 1 349 . 52 PHE HA H 4.12 . 1 350 . 52 PHE HB2 H 3.07 . 1 351 . 52 PHE HB3 H 3.07 . 1 352 . 52 PHE HD1 H 6.95 . 1 353 . 52 PHE HD2 H 6.95 . 1 354 . 52 PHE HE1 H 7.12 . 1 355 . 52 PHE HE2 H 7.12 . 1 356 . 52 PHE HZ H 7.10 . 1 357 . 53 ARG N N 116.8 . 1 358 . 53 ARG H H 8.87 . 1 359 . 53 ARG CA C 59.9 . 1 360 . 53 ARG HA H 3.60 . 1 361 . 53 ARG CB C 30.8 . 1 362 . 53 ARG HB2 H 2.13 . 2 363 . 53 ARG HB3 H 1.67 . 2 364 . 53 ARG HG2 H 1.77 . 2 365 . 53 ARG HG3 H 1.61 . 2 366 . 53 ARG CD C 44.4 . 1 367 . 54 GLU N N 119.7 . 1 368 . 54 GLU H H 7.84 . 1 369 . 54 GLU HA H 4.08 . 1 370 . 54 GLU CB C 29.4 . 1 371 . 54 GLU HB2 H 2.36 . 2 372 . 54 GLU HB3 H 2.29 . 2 373 . 54 GLU CG C 36.2 . 1 374 . 54 GLU HG2 H 2.45 . 1 375 . 54 GLU HG3 H 2.45 . 1 376 . 55 LEU N N 121.0 . 1 377 . 55 LEU H H 8.56 . 1 378 . 55 LEU HA H 4.03 . 1 379 . 55 LEU CB C 42.9 . 1 380 . 55 LEU HB2 H 1.94 . 2 381 . 55 LEU HB3 H 1.29 . 2 382 . 55 LEU HG H 1.78 . 1 383 . 55 LEU HD1 H 0.77 . 2 384 . 55 LEU HD2 H 0.64 . 2 385 . 55 LEU CD1 C 27.4 . 1 386 . 55 LEU CD2 C 24.0 . 1 387 . 56 VAL N N 121.2 . 1 388 . 56 VAL H H 8.56 . 1 389 . 56 VAL HA H 3.15 . 1 390 . 56 VAL CB C 31.8 . 1 391 . 56 VAL HB H 1.89 . 1 392 . 56 VAL HG1 H 0.82 . 1 393 . 56 VAL HG2 H 0.29 . 1 394 . 56 VAL CG1 C 25.0 . 1 395 . 56 VAL CG2 C 21.1 . 1 396 . 57 ASN N N 116.8 . 1 397 . 57 ASN H H 8.05 . 1 398 . 57 ASN CA C 56.4 . 1 399 . 57 ASN HA H 4.34 . 1 400 . 57 ASN CB C 37.8 . 1 401 . 57 ASN HB2 H 2.92 . 1 402 . 57 ASN HB3 H 2.80 . 1 403 . 57 ASN HD21 H 7.61 . 2 404 . 57 ASN HD22 H 6.92 . 2 405 . 58 THR N N 120.3 . 1 406 . 58 THR H H 8.53 . 1 407 . 58 THR CA C 67.0 . 1 408 . 58 THR HA H 3.78 . 1 409 . 58 THR CB C 68.3 . 1 410 . 58 THR HB H 4.02 . 1 411 . 58 THR HG2 H 0.81 . 1 412 . 58 THR CG2 C 21.1 . 1 413 . 59 CYS N N 119.9 . 1 414 . 59 CYS H H 8.29 . 1 415 . 59 CYS CA C 63.6 . 1 416 . 59 CYS HA H 4.35 . 1 417 . 59 CYS CB C 27.4 . 1 418 . 59 CYS HB2 H 3.00 . 1 419 . 59 CYS HB3 H 2.73 . 1 420 . 59 CYS HG H 2.82 . 1 421 . 60 LEU N N 117.7 . 1 422 . 60 LEU H H 8.37 . 1 423 . 60 LEU CA C 56.6 . 1 424 . 60 LEU HA H 4.03 . 1 425 . 60 LEU CB C 41.6 . 1 426 . 60 LEU HB2 H 1.80 . 1 427 . 60 LEU HB3 H 1.43 . 1 428 . 60 LEU HG H 1.82 . 1 429 . 60 LEU HD1 H 0.77 . 2 430 . 60 LEU HD2 H 0.69 . 2 431 . 60 LEU CD1 C 25.5 . 1 432 . 60 LEU CD2 C 21.6 . 1 433 . 61 SER N N 112.7 . 1 434 . 61 SER H H 7.64 . 1 435 . 61 SER CA C 60.2 . 1 436 . 61 SER HA H 4.31 . 1 437 . 61 SER CB C 63.9 . 1 438 . 61 SER HB2 H 4.04 . 2 439 . 61 SER HB3 H 3.98 . 2 440 . 62 GLN N N 121.2 . 1 441 . 62 GLN H H 7.25 . 1 442 . 62 GLN HA H 4.69 . 1 443 . 62 GLN HB2 H 2.03 . 2 444 . 62 GLN HB3 H 1.87 . 2 445 . 62 GLN HG2 H 2.26 . 1 446 . 62 GLN HG3 H 2.26 . 1 447 . 62 GLN HE21 H 7.45 . 1 448 . 62 GLN HE22 H 6.72 . 1 449 . 63 PRO CD C 49.7 . 1 450 . 63 PRO CA C 63.8 . 1 451 . 63 PRO HA H 4.42 . 1 452 . 63 PRO HB2 H 2.30 . 1 453 . 63 PRO HB3 H 1.86 . 1 454 . 63 PRO HG2 H 2.03 . 1 455 . 63 PRO HG3 H 1.96 . 1 456 . 63 PRO HD2 H 3.54 . 2 457 . 63 PRO HD3 H 3.43 . 2 458 . 64 GLY N N 111.6 . 1 459 . 64 GLY H H 8.78 . 1 460 . 64 GLY CA C 45.3 . 1 461 . 64 GLY HA2 H 4.11 . 2 462 . 64 GLY HA3 H 3.76 . 2 463 . 65 LEU N N 122.7 . 1 464 . 65 LEU H H 8.01 . 1 465 . 65 LEU CA C 56.0 . 1 466 . 65 LEU HA H 4.41 . 1 467 . 65 LEU CB C 42.0 . 1 468 . 65 LEU HB2 H 2.00 . 2 469 . 65 LEU HB3 H 1.64 . 2 470 . 65 LEU HD1 H 0.91 . 2 471 . 65 LEU HD2 H 0.81 . 2 472 . 65 LEU CD1 C 26.4 . 1 473 . 65 LEU CD2 C 25.0 . 1 474 . 66 THR N N 110.7 . 1 475 . 66 THR H H 7.89 . 1 476 . 66 THR CA C 59.2 . 1 477 . 66 THR HA H 4.40 . 1 478 . 66 THR CB C 72.3 . 1 479 . 66 THR HB H 4.73 . 1 480 . 66 THR HG2 H 1.34 . 1 481 . 66 THR HG1 H 5.62 . 1 482 . 66 THR CG2 C 21.6 . 1 483 . 67 THR N N 118.8 . 1 484 . 67 THR H H 8.97 . 1 485 . 67 THR CA C 68.1 . 1 486 . 67 THR HA H 5.80 . 1 487 . 67 THR CB C 70.2 . 1 488 . 67 THR HB H 3.94 . 1 489 . 67 THR HG2 H 1.27 . 1 490 . 67 THR CG2 C 21.2 . 1 491 . 68 GLY N N 106.3 . 1 492 . 68 GLY H H 8.72 . 1 493 . 68 GLY CA C 47.2 . 1 494 . 68 GLY HA2 H 3.90 . 1 495 . 68 GLY HA3 H 3.75 . 1 496 . 69 GLN N N 121.2 . 1 497 . 69 GLN H H 7.78 . 1 498 . 69 GLN CA C 58.3 . 1 499 . 69 GLN HA H 4.10 . 1 500 . 69 GLN CB C 29.8 . 1 501 . 69 GLN HB2 H 2.44 . 2 502 . 69 GLN HB3 H 2.34 . 2 503 . 69 GLN CG C 34.3 . 1 504 . 69 GLN HG2 H 2.03 . 1 505 . 69 GLN HG3 H 2.03 . 1 506 . 70 LEU N N 123.8 . 1 507 . 70 LEU H H 8.65 . 1 508 . 70 LEU CA C 58.5 . 1 509 . 70 LEU HA H 4.08 . 1 510 . 70 LEU CB C 41.5 . 1 511 . 70 LEU HB2 H 2.18 . 1 512 . 70 LEU HB3 H 1.67 . 1 513 . 70 LEU HG H 1.63 . 1 514 . 70 LEU HD1 H 0.95 . 2 515 . 70 LEU HD2 H 1.05 . 2 516 . 70 LEU CD1 C 26.4 . 1 517 . 70 LEU CD2 C 24.5 . 1 518 . 71 LEU N N 117.2 . 1 519 . 71 LEU H H 8.54 . 1 520 . 71 LEU CA C 58.2 . 1 521 . 71 LEU HA H 4.07 . 1 522 . 71 LEU CB C 40.5 . 1 523 . 71 LEU HB2 H 1.92 . 2 524 . 71 LEU HB3 H 1.53 . 2 525 . 71 LEU HD1 H 0.87 . 2 526 . 71 LEU HD2 H 0.74 . 2 527 . 71 LEU CD1 C 25.5 . 1 528 . 71 LEU CD2 C 23.0 . 1 529 . 72 GLU N N 120.1 . 1 530 . 72 GLU H H 8.00 . 1 531 . 72 GLU CA C 59.4 . 1 532 . 72 GLU HA H 4.04 . 1 533 . 72 GLU CB C 29.3 . 1 534 . 72 GLU HB2 H 2.19 . 2 535 . 72 GLU HB3 H 2.08 . 2 536 . 72 GLU CG C 35.6 . 1 537 . 72 GLU HG2 H 2.33 . 1 538 . 72 GLU HG3 H 2.33 . 1 539 . 73 HIS N N 117.5 . 1 540 . 73 HIS H H 7.83 . 1 541 . 73 HIS CA C 58.3 . 1 542 . 73 HIS HA H 4.19 . 1 543 . 73 HIS CB C 28.5 . 1 544 . 73 HIS HB2 H 3.29 . 1 545 . 73 HIS HB3 H 3.24 . 1 546 . 73 HIS HD2 H 6.27 . 1 547 . 74 TYR N N 113.5 . 1 548 . 74 TYR H H 7.58 . 1 549 . 74 TYR CA C 58.9 . 1 550 . 74 TYR HA H 4.28 . 1 551 . 74 TYR CB C 39.6 . 1 552 . 74 TYR HB2 H 3.04 . 2 553 . 74 TYR HB3 H 2.57 . 2 554 . 74 TYR HD1 H 7.31 . 1 555 . 74 TYR HD2 H 7.31 . 1 556 . 74 TYR HE1 H 6.74 . 1 557 . 74 TYR HE2 H 6.74 . 1 558 . 75 ARG N N 125.1 . 1 559 . 75 ARG H H 7.51 . 1 560 . 75 ARG CA C 58.6 . 1 561 . 75 ARG HA H 4.11 . 1 562 . 75 ARG CB C 29.8 . 1 563 . 75 ARG HB2 H 1.96 . 1 564 . 75 ARG HB3 H 1.86 . 1 565 . 75 ARG HG2 H 1.75 . 2 566 . 75 ARG HG3 H 1.69 . 2 567 . 75 ARG HD2 H 3.26 . 2 568 . 75 ARG HD3 H 3.23 . 2 569 . 76 GLY N N 112.0 . 1 570 . 76 GLY H H 9.13 . 1 571 . 76 GLY CA C 45.4 . 1 572 . 76 GLY HA2 H 3.90 . 1 573 . 76 GLY HA3 H 4.10 . 1 574 . 77 THR N N 108.7 . 1 575 . 77 THR H H 7.74 . 1 576 . 77 THR HA H 4.91 . 1 577 . 77 THR HB H 4.66 . 1 578 . 77 THR HG2 H 1.24 . 1 579 . 77 THR HG1 H 5.99 . 1 580 . 78 ASN N N 119.4 . 1 581 . 78 ASN H H 9.24 . 1 582 . 78 ASN HA H 4.64 . 1 583 . 78 ASN HB2 H 2.92 . 1 584 . 78 ASN HB3 H 2.92 . 1 585 . 79 ASN N N 114.4 . 1 586 . 79 ASN H H 7.89 . 1 587 . 79 ASN CA C 53.7 . 1 588 . 79 ASN HA H 4.92 . 1 589 . 79 ASN CB C 40.2 . 1 590 . 79 ASN HB2 H 2.55 . 1 591 . 79 ASN HB3 H 2.55 . 1 592 . 80 ALA N N 123.6 . 1 593 . 80 ALA H H 7.50 . 1 594 . 80 ALA CA C 56.1 . 1 595 . 80 ALA HA H 3.84 . 1 596 . 80 ALA HB H 1.70 . 1 597 . 80 ALA CB C 18.7 . 1 598 . 81 ALA N N 119.2 . 1 599 . 81 ALA H H 8.45 . 1 600 . 81 ALA CA C 55.2 . 1 601 . 81 ALA HA H 4.17 . 1 602 . 81 ALA HB H 1.45 . 1 603 . 81 ALA CB C 17.7 . 1 604 . 82 THR N N 115.7 . 1 605 . 82 THR H H 7.80 . 1 606 . 82 THR CA C 66.2 . 1 607 . 82 THR HA H 3.83 . 1 608 . 82 THR CB C 69.1 . 1 609 . 82 THR HB H 4.09 . 1 610 . 82 THR HG2 H 1.09 . 1 611 . 82 THR CG2 C 21.4 . 1 612 . 83 LEU N N 119.7 . 1 613 . 83 LEU H H 7.83 . 1 614 . 83 LEU CA C 58.0 . 1 615 . 83 LEU HA H 3.83 . 1 616 . 83 LEU CB C 41.0 . 1 617 . 83 LEU HB2 H 1.78 . 1 618 . 83 LEU HB3 H 1.20 . 1 619 . 83 LEU HG H 1.19 . 1 620 . 83 LEU HD1 H 0.32 . 2 621 . 83 LEU HD2 H 0.57 . 2 622 . 83 LEU CD1 C 25.9 . 1 623 . 83 LEU CD2 C 23.5 . 1 624 . 84 GLU N N 119.0 . 1 625 . 84 GLU H H 8.53 . 1 626 . 84 GLU CA C 59.7 . 1 627 . 84 GLU HA H 3.79 . 1 628 . 84 GLU CB C 29.4 . 1 629 . 84 GLU HB2 H 2.14 . 2 630 . 84 GLU HB3 H 2.07 . 2 631 . 84 GLU CG C 36.3 . 1 632 . 84 GLU HG2 H 2.31 . 1 633 . 84 GLU HG3 H 2.31 . 1 634 . 85 LYS N N 119.4 . 1 635 . 85 LYS H H 7.83 . 1 636 . 85 LYS CA C 59.4 . 1 637 . 85 LYS HA H 4.04 . 1 638 . 85 LYS CB C 32.2 . 1 639 . 85 LYS HB2 H 1.91 . 1 640 . 85 LYS HB3 H 1.84 . 1 641 . 85 LYS HG2 H 1.53 . 2 642 . 85 LYS HG3 H 1.41 . 2 643 . 85 LYS HD2 H 1.63 . 1 644 . 85 LYS HD3 H 1.63 . 1 645 . 85 LYS HE2 H 2.89 . 1 646 . 85 LYS HE3 H 2.89 . 1 647 . 86 LEU N N 118.3 . 1 648 . 86 LEU H H 8.03 . 1 649 . 86 LEU CA C 57.3 . 1 650 . 86 LEU HA H 4.09 . 1 651 . 86 LEU CB C 41.5 . 1 652 . 86 LEU HB2 H 1.83 . 1 653 . 86 LEU HB3 H 1.83 . 1 654 . 86 LEU HG H 1.39 . 1 655 . 86 LEU HD1 H 0.76 . 2 656 . 86 LEU HD2 H 0.64 . 2 657 . 86 LEU CD1 C 26.4 . 1 658 . 86 LEU CD2 C 23.0 . 1 659 . 87 SER N N 114.6 . 1 660 . 87 SER H H 8.28 . 1 661 . 87 SER CA C 61.4 . 1 662 . 87 SER HA H 4.12 . 1 663 . 87 SER CB C 63.0 . 1 664 . 87 SER HB2 H 4.00 . 2 665 . 87 SER HB3 H 3.84 . 2 666 . 88 MET N N 118.8 . 1 667 . 88 MET H H 7.15 . 1 668 . 88 MET CA C 54.7 . 1 669 . 88 MET HA H 4.65 . 1 670 . 88 MET CB C 33.2 . 1 671 . 88 MET HB2 H 1.96 . 1 672 . 88 MET HB3 H 2.29 . 1 673 . 88 MET HG2 H 2.66 . 2 674 . 88 MET HG3 H 2.55 . 2 675 . 89 TRP N N 122.1 . 1 676 . 89 TRP H H 7.26 . 1 677 . 89 TRP CA C 55.7 . 1 678 . 89 TRP HA H 4.88 . 1 679 . 89 TRP CB C 29.2 . 1 680 . 89 TRP HB2 H 3.41 . 2 681 . 89 TRP HB3 H 3.15 . 2 682 . 89 TRP HD1 H 7.41 . 1 683 . 89 TRP HE3 H 7.45 . 1 684 . 89 TRP HE1 H 10.13 . 1 685 . 89 TRP HZ3 H 6.91 . 1 686 . 89 TRP HZ2 H 7.39 . 1 687 . 89 TRP HH2 H 7.00 . 1 688 . 90 ASP N N 126.9 . 1 689 . 90 ASP H H 8.67 . 1 690 . 90 ASP CA C 55.7 . 1 691 . 90 ASP HA H 4.47 . 1 692 . 90 ASP CB C 40.8 . 1 693 . 90 ASP HB2 H 2.69 . 2 694 . 90 ASP HB3 H 2.64 . 2 695 . 91 ASP N N 117.9 . 1 696 . 91 ASP H H 7.42 . 1 697 . 91 ASP CA C 55.3 . 1 698 . 91 ASP HA H 4.30 . 1 699 . 91 ASP CB C 41.0 . 1 700 . 91 ASP HB2 H 2.32 . 2 701 . 91 ASP HB3 H 1.96 . 2 702 . 92 ILE N N 111.1 . 1 703 . 92 ILE H H 6.75 . 1 704 . 92 ILE CA C 60.9 . 1 705 . 92 ILE HA H 4.03 . 1 706 . 92 ILE CB C 37.6 . 1 707 . 92 ILE HB H 1.84 . 1 708 . 92 ILE HG2 H 0.41 . 1 709 . 92 ILE CG2 C 17.2 . 1 710 . 92 ILE CG1 C 26.4 . 1 711 . 92 ILE HG12 H 1.09 . 2 712 . 92 ILE HG13 H 0.47 . 2 713 . 92 ILE HD1 H 0.81 . 1 714 . 92 ILE CD1 C 14.8 . 1 715 . 93 ALA N N 124.5 . 1 716 . 93 ALA H H 7.45 . 1 717 . 93 ALA CA C 53.1 . 1 718 . 93 ALA HA H 4.30 . 1 719 . 93 ALA HB H 1.42 . 1 720 . 93 ALA CB C 19.8 . 1 721 . 94 ASP N N 117.9 . 1 722 . 94 ASP H H 7.78 . 1 723 . 94 ASP CA C 54.0 . 1 724 . 94 ASP HA H 4.56 . 1 725 . 94 ASP CB C 40.9 . 1 726 . 94 ASP HB2 H 2.79 . 2 727 . 94 ASP HB3 H 2.59 . 2 728 . 95 LYS N N 127.1 . 1 729 . 95 LYS H H 8.77 . 1 730 . 95 LYS CA C 58.5 . 1 731 . 95 LYS HA H 4.00 . 1 732 . 95 LYS CB C 32.3 . 1 733 . 95 LYS HB2 H 1.90 . 1 734 . 95 LYS HB3 H 1.90 . 1 735 . 95 LYS CG C 25.0 . 1 736 . 95 LYS HG2 H 1.61 . 1 737 . 95 LYS HG3 H 1.61 . 1 738 . 95 LYS HD2 H 1.73 . 1 739 . 95 LYS HD3 H 1.73 . 1 740 . 95 LYS HE2 H 3.08 . 1 741 . 95 LYS HE3 H 3.08 . 1 742 . 96 ASN N N 116.6 . 1 743 . 96 ASN H H 8.62 . 1 744 . 96 ASN CA C 55.7 . 1 745 . 96 ASN HA H 4.54 . 1 746 . 96 ASN CB C 38.4 . 1 747 . 96 ASN HB2 H 2.81 . 1 748 . 96 ASN HB3 H 2.99 . 1 749 . 96 ASN ND2 N 114.6 . 1 750 . 96 ASN HD21 H 7.97 . 1 751 . 96 ASN HD22 H 6.98 . 1 752 . 97 ILE N N 112.4 . 1 753 . 97 ILE H H 7.32 . 1 754 . 97 ILE CA C 60.8 . 1 755 . 97 ILE HA H 4.67 . 1 756 . 97 ILE CB C 38.6 . 1 757 . 97 ILE HB H 2.09 . 1 758 . 97 ILE HG2 H 0.88 . 1 759 . 97 ILE CG2 C 17.7 . 1 760 . 97 ILE CG1 C 26.9 . 1 761 . 97 ILE HG12 H 1.35 . 2 762 . 97 ILE HG13 H 1.11 . 2 763 . 97 ILE HD1 H 0.86 . 1 764 . 97 ILE CD1 C 13.8 . 1 765 . 98 ALA N N 127.8 . 1 766 . 98 ALA H H 7.61 . 1 767 . 98 ALA CA C 56.2 . 1 768 . 98 ALA HA H 4.03 . 1 769 . 98 ALA HB H 1.43 . 1 770 . 98 ALA CB C 18.2 . 1 771 . 99 GLU N N 117.5 . 1 772 . 99 GLU H H 8.65 . 1 773 . 99 GLU CA C 60.6 . 1 774 . 99 GLU HA H 3.82 . 1 775 . 99 GLU CB C 29.1 . 1 776 . 99 GLU HB2 H 2.08 . 2 777 . 99 GLU HB3 H 2.01 . 2 778 . 99 GLU CG C 36.3 . 1 779 . 99 GLU HG2 H 2.19 . 2 780 . 99 GLU HG3 H 2.14 . 2 781 . 100 GLN N N 119.9 . 1 782 . 100 GLN H H 8.34 . 1 783 . 100 GLN CA C 58.7 . 1 784 . 100 GLN HA H 4.08 . 1 785 . 100 GLN CB C 28.6 . 1 786 . 100 GLN HB2 H 2.19 . 1 787 . 100 GLN HB3 H 2.07 . 1 788 . 100 GLN CG C 33.5 . 1 789 . 100 GLN HG2 H 2.42 . 1 790 . 100 GLN HG3 H 2.42 . 1 791 . 100 GLN HE21 H 7.71 . 1 792 . 100 GLN HE22 H 6.82 . 1 793 . 101 THR N N 116.2 . 1 794 . 101 THR H H 8.38 . 1 795 . 101 THR CA C 66.5 . 1 796 . 101 THR HA H 4.02 . 1 797 . 101 THR CB C 68.5 . 1 798 . 101 THR HB H 4.20 . 1 799 . 101 THR HG2 H 1.21 . 1 800 . 101 THR CG2 C 21.5 . 1 801 . 102 PHE N N 125.3 . 1 802 . 102 PHE H H 8.97 . 1 803 . 102 PHE CA C 62.8 . 1 804 . 102 PHE HA H 3.91 . 1 805 . 102 PHE CB C 40.5 . 1 806 . 102 PHE HB2 H 3.33 . 1 807 . 102 PHE HB3 H 3.33 . 1 808 . 102 PHE HD1 H 7.17 . 1 809 . 102 PHE HD2 H 7.17 . 1 810 . 102 PHE HE1 H 7.57 . 1 811 . 102 PHE HE2 H 7.57 . 1 812 . 102 PHE HZ H 7.04 . 1 813 . 103 THR N N 113.1 . 1 814 . 103 THR H H 8.77 . 1 815 . 103 THR CA C 66.7 . 1 816 . 103 THR HA H 3.85 . 1 817 . 103 THR CB C 68.7 . 1 818 . 103 THR HB H 4.37 . 1 819 . 103 THR HG2 H 1.44 . 1 820 . 103 THR CG2 C 22.0 . 1 821 . 104 ASP N N 122.3 . 1 822 . 104 ASP H H 8.37 . 1 823 . 104 ASP CA C 57.6 . 1 824 . 104 ASP HA H 4.45 . 1 825 . 104 ASP CB C 40.9 . 1 826 . 104 ASP HB2 H 2.89 . 2 827 . 104 ASP HB3 H 2.61 . 2 828 . 105 SER N N 116.6 . 1 829 . 105 SER H H 8.16 . 1 830 . 105 SER CA C 63.6 . 1 831 . 105 SER HA H 4.20 . 1 832 . 105 SER CB C 62.8 . 1 833 . 105 SER HB2 H 4.00 . 2 834 . 105 SER HB3 H 3.61 . 2 835 . 106 LEU N N 124.7 . 1 836 . 106 LEU H H 8.47 . 1 837 . 106 LEU CA C 58.0 . 1 838 . 106 LEU HA H 3.72 . 1 839 . 106 LEU CB C 42.0 . 1 840 . 106 LEU HB2 H 1.87 . 2 841 . 106 LEU HB3 H 1.38 . 2 842 . 106 LEU HG H 1.27 . 1 843 . 106 LEU HD1 H 0.81 . 1 844 . 106 LEU HD2 H 0.82 . 1 845 . 106 LEU CD1 C 26.9 . 1 846 . 106 LEU CD2 C 24.5 . 1 847 . 107 ASN N N 116.8 . 1 848 . 107 ASN H H 7.82 . 1 849 . 107 ASN CA C 56.1 . 1 850 . 107 ASN HA H 4.61 . 1 851 . 107 ASN CB C 37.4 . 1 852 . 107 ASN HB2 H 2.98 . 2 853 . 107 ASN HB3 H 2.91 . 2 854 . 107 ASN HD21 H 7.71 . 1 855 . 107 ASN HD22 H 6.93 . 1 856 . 108 HIS N N 117.9 . 1 857 . 108 HIS H H 7.92 . 1 858 . 108 HIS CA C 58.0 . 1 859 . 108 HIS HA H 4.59 . 1 860 . 108 HIS CB C 28.5 . 1 861 . 108 HIS HB2 H 3.34 . 2 862 . 108 HIS HB3 H 3.30 . 2 863 . 108 HIS HD2 H 7.18 . 1 864 . 109 MET N N 122.5 . 1 865 . 109 MET H H 8.39 . 1 866 . 109 MET CA C 59.7 . 1 867 . 109 MET HA H 3.73 . 1 868 . 109 MET CB C 31.1 . 1 869 . 109 MET HB2 H 2.17 . 2 870 . 109 MET HB3 H 1.71 . 2 871 . 110 PHE N N 117.5 . 1 872 . 110 PHE H H 8.27 . 1 873 . 110 PHE CA C 62.2 . 1 874 . 110 PHE HA H 4.28 . 1 875 . 110 PHE CB C 38.3 . 1 876 . 110 PHE HB2 H 3.08 . 1 877 . 110 PHE HB3 H 3.30 . 1 878 . 110 PHE HD1 H 7.46 . 1 879 . 110 PHE HD2 H 7.46 . 1 880 . 110 PHE HE1 H 7.19 . 1 881 . 110 PHE HE2 H 7.19 . 1 882 . 110 PHE HZ H 7.04 . 1 883 . 111 ASP N N 120.8 . 1 884 . 111 ASP H H 8.43 . 1 885 . 111 ASP CA C 57.6 . 1 886 . 111 ASP HA H 4.49 . 1 887 . 111 ASP CB C 39.8 . 1 888 . 111 ASP HB2 H 2.89 . 2 889 . 111 ASP HB3 H 2.71 . 2 890 . 112 SER N N 116.2 . 1 891 . 112 SER H H 8.28 . 1 892 . 112 SER CA C 61.8 . 1 893 . 112 SER HA H 4.33 . 1 894 . 112 SER CB C 62.7 . 1 895 . 112 SER HB2 H 4.06 . 2 896 . 112 SER HB3 H 3.92 . 2 897 . 113 LEU N N 122.1 . 1 898 . 113 LEU H H 7.80 . 1 899 . 113 LEU CA C 58.0 . 1 900 . 113 LEU HA H 4.16 . 1 901 . 113 LEU CB C 41.5 . 1 902 . 113 LEU HB2 H 2.05 . 1 903 . 113 LEU HB3 H 1.60 . 1 904 . 113 LEU HG H 1.83 . 1 905 . 113 LEU HD1 H 0.90 . 2 906 . 113 LEU HD2 H 0.86 . 2 907 . 113 LEU CD1 C 26.4 . 1 908 . 113 LEU CD2 C 23.5 . 1 909 . 114 LEU N N 121.4 . 1 910 . 114 LEU H H 7.91 . 1 911 . 114 LEU CA C 58.0 . 1 912 . 114 LEU HA H 4.18 . 1 913 . 114 LEU CB C 41.5 . 1 914 . 114 LEU HB2 H 2.18 . 1 915 . 114 LEU HB3 H 1.52 . 1 916 . 114 LEU HG H 1.97 . 1 917 . 114 LEU HD1 H 0.96 . 2 918 . 114 LEU HD2 H 0.88 . 2 919 . 114 LEU CD1 C 25.5 . 1 920 . 114 LEU CD2 C 22.5 . 1 921 . 115 GLU N N 119.2 . 1 922 . 115 GLU H H 8.15 . 1 923 . 115 GLU CA C 59.4 . 1 924 . 115 GLU HA H 3.94 . 1 925 . 115 GLU CB C 29.6 . 1 926 . 115 GLU HB2 H 2.20 . 2 927 . 115 GLU HB3 H 2.15 . 2 928 . 115 GLU CG C 36.6 . 1 929 . 115 GLU HG2 H 2.50 . 1 930 . 115 GLU HG3 H 2.50 . 1 931 . 116 LEU N N 119.4 . 1 932 . 116 LEU H H 8.13 . 1 933 . 116 LEU CA C 57.9 . 1 934 . 116 LEU HA H 4.17 . 1 935 . 116 LEU CB C 42.0 . 1 936 . 116 LEU HB2 H 1.59 . 1 937 . 116 LEU HB3 H 1.91 . 1 938 . 116 LEU HG H 1.58 . 1 939 . 116 LEU HD1 H 0.93 . 1 940 . 116 LEU HD2 H 0.95 . 1 941 . 116 LEU CD1 C 25.9 . 1 942 . 116 LEU CD2 C 23.5 . 1 943 . 117 ARG N N 121.4 . 1 944 . 117 ARG H H 7.82 . 1 945 . 117 ARG CA C 57.4 . 1 946 . 117 ARG HA H 4.26 . 1 947 . 117 ARG CB C 30.9 . 1 948 . 117 ARG HB2 H 2.23 . 1 949 . 117 ARG HB3 H 2.03 . 1 950 . 117 ARG HG2 H 1.92 . 2 951 . 117 ARG HG3 H 1.90 . 2 952 . 117 ARG HD2 H 3.53 . 2 953 . 117 ARG HD3 H 3.03 . 2 954 . 117 ARG HE H 8.10 . 1 955 . 118 GLN N N 121.0 . 1 956 . 118 GLN H H 8.52 . 1 957 . 118 GLN CA C 60.2 . 1 958 . 118 GLN HA H 3.78 . 1 959 . 118 GLN CB C 28.4 . 1 960 . 118 GLN HB2 H 1.91 . 1 961 . 118 GLN HB3 H 1.91 . 1 962 . 118 GLN CG C 33.2 . 1 963 . 118 GLN HG2 H 2.26 . 2 964 . 118 GLN HG3 H 2.17 . 2 965 . 118 GLN HE21 H 7.83 . 2 966 . 118 GLN HE22 H 6.69 . 2 967 . 119 GLU N N 117.7 . 1 968 . 119 GLU H H 8.31 . 1 969 . 119 GLU CA C 59.4 . 1 970 . 119 GLU HA H 3.95 . 1 971 . 119 GLU CB C 29.5 . 1 972 . 119 GLU HB2 H 2.21 . 1 973 . 119 GLU HB3 H 2.15 . 1 974 . 119 GLU CG C 36.1 . 1 975 . 119 GLU HG2 H 2.55 . 2 976 . 119 GLU HG3 H 2.31 . 2 977 . 120 GLU N N 121.0 . 1 978 . 120 GLU H H 8.10 . 1 979 . 120 GLU CA C 59.0 . 1 980 . 120 GLU HA H 4.12 . 1 981 . 120 GLU CB C 29.9 . 1 982 . 120 GLU HB2 H 2.31 . 2 983 . 120 GLU HB3 H 2.23 . 2 984 . 120 GLU CG C 35.8 . 1 985 . 120 GLU HG2 H 2.42 . 2 986 . 120 GLU HG3 H 2.15 . 2 987 . 121 LEU N N 120.8 . 1 988 . 121 LEU H H 8.32 . 1 989 . 121 LEU CA C 58.0 . 1 990 . 121 LEU HA H 4.09 . 1 991 . 121 LEU CB C 42.9 . 1 992 . 121 LEU HB2 H 2.12 . 2 993 . 121 LEU HB3 H 1.36 . 2 994 . 121 LEU HG H 1.50 . 1 995 . 121 LEU HD1 H 0.81 . 2 996 . 121 LEU HD2 H 0.83 . 2 997 . 121 LEU CD1 C 25.9 . 1 998 . 121 LEU CD2 C 22.1 . 1 999 . 122 ILE N N 121.2 . 1 1000 . 122 ILE H H 8.53 . 1 1001 . 122 ILE CA C 64.8 . 1 1002 . 122 ILE HA H 3.77 . 1 1003 . 122 ILE CB C 38.1 . 1 1004 . 122 ILE HB H 1.91 . 1 1005 . 122 ILE HG2 H 0.95 . 1 1006 . 122 ILE CG2 C 16.7 . 1 1007 . 122 ILE CG1 C 29.3 . 1 1008 . 122 ILE HG12 H 1.84 . 2 1009 . 122 ILE HG13 H 1.21 . 2 1010 . 122 ILE HD1 H 0.85 . 1 1011 . 122 ILE CD1 C 13.3 . 1 1012 . 123 ALA N N 121.8 . 1 1013 . 123 ALA H H 7.95 . 1 1014 . 123 ALA CA C 55.0 . 1 1015 . 123 ALA HA H 4.16 . 1 1016 . 123 ALA HB H 1.53 . 1 1017 . 123 ALA CB C 17.6 . 1 1018 . 124 ARG N N 119.4 . 1 1019 . 124 ARG H H 8.17 . 1 1020 . 124 ARG CA C 58.7 . 1 1021 . 124 ARG HA H 4.18 . 1 1022 . 124 ARG CB C 30.2 . 1 1023 . 124 ARG HB2 H 1.93 . 1 1024 . 124 ARG HB3 H 1.93 . 1 1025 . 124 ARG HD2 H 3.08 . 1 1026 . 124 ARG HD3 H 3.08 . 1 1027 . 124 ARG HE H 7.70 . 1 1028 . 125 GLU N N 122.5 . 1 1029 . 125 GLU H H 8.74 . 1 1030 . 125 GLU CA C 60.1 . 1 1031 . 125 GLU HA H 3.69 . 1 1032 . 125 GLU CB C 29.0 . 1 1033 . 125 GLU HB2 H 2.05 . 1 1034 . 125 GLU HB3 H 2.05 . 1 1035 . 125 GLU HG2 H 2.39 . 1 1036 . 125 GLU HG3 H 2.39 . 1 1037 . 126 ARG N N 115.1 . 1 1038 . 126 ARG H H 7.49 . 1 1039 . 126 ARG CA C 58.3 . 1 1040 . 126 ARG HA H 4.18 . 1 1041 . 126 ARG CB C 30.8 . 1 1042 . 126 ARG HB2 H 2.56 . 2 1043 . 126 ARG HB3 H 2.01 . 2 1044 . 126 ARG CG C 27.4 . 1 1045 . 127 THR N N 109.6 . 1 1046 . 127 THR H H 7.84 . 1 1047 . 127 THR CA C 63.3 . 1 1048 . 127 THR HA H 4.19 . 1 1049 . 127 THR CB C 69.6 . 1 1050 . 127 THR HB H 4.09 . 1 1051 . 127 THR HG2 H 1.18 . 1 1052 . 128 HIS N N 120.3 . 1 1053 . 128 HIS H H 8.57 . 1 1054 . 128 HIS CA C 57.3 . 1 1055 . 128 HIS HA H 4.71 . 1 1056 . 128 HIS CB C 32.2 . 1 1057 . 128 HIS HB2 H 3.27 . 1 1058 . 128 HIS HB3 H 3.12 . 1 1059 . 129 GLY N N 109.4 . 1 1060 . 129 GLY H H 8.14 . 1 1061 . 129 GLY CA C 44.0 . 1 1062 . 129 GLY HA2 H 4.43 . 2 1063 . 129 GLY HA3 H 3.98 . 2 1064 . 130 LEU N N 118.1 . 1 1065 . 130 LEU H H 8.37 . 1 1066 . 130 LEU CA C 53.6 . 1 1067 . 130 LEU HA H 4.88 . 1 1068 . 130 LEU CB C 43.9 . 1 1069 . 130 LEU HB2 H 1.69 . 1 1070 . 130 LEU HB3 H 1.69 . 1 1071 . 130 LEU HG H 1.50 . 1 1072 . 130 LEU HD1 H 0.94 . 2 1073 . 130 LEU HD2 H 0.83 . 2 1074 . 130 LEU CD1 C 25.9 . 1 1075 . 130 LEU CD2 C 21.6 . 1 1076 . 131 SER N N 119.0 . 1 1077 . 131 SER H H 9.39 . 1 1078 . 131 SER CA C 56.9 . 1 1079 . 131 SER HA H 4.59 . 1 1080 . 131 SER CB C 65.5 . 1 1081 . 131 SER HB2 H 4.03 . 1 1082 . 131 SER HB3 H 4.03 . 1 1083 . 131 SER HG H 4.41 . 1 1084 . 132 ASN N N 119.9 . 1 1085 . 132 ASN H H 9.19 . 1 1086 . 132 ASN CA C 56.9 . 1 1087 . 132 ASN HA H 4.36 . 1 1088 . 132 ASN CB C 37.9 . 1 1089 . 132 ASN HB2 H 2.83 . 2 1090 . 132 ASN HB3 H 2.79 . 2 1091 . 132 ASN HD21 H 7.77 . 2 1092 . 132 ASN HD22 H 7.00 . 2 1093 . 133 GLU N N 119.2 . 1 1094 . 133 GLU H H 8.90 . 1 1095 . 133 GLU CA C 60.5 . 1 1096 . 133 GLU HA H 4.02 . 1 1097 . 133 GLU CB C 28.9 . 1 1098 . 133 GLU HB2 H 2.06 . 2 1099 . 133 GLU HB3 H 1.98 . 2 1100 . 133 GLU HG2 H 2.48 . 2 1101 . 133 GLU HG3 H 2.30 . 2 1102 . 134 GLU N N 121.8 . 1 1103 . 134 GLU H H 7.89 . 1 1104 . 134 GLU CA C 58.6 . 1 1105 . 134 GLU HA H 4.13 . 1 1106 . 134 GLU CB C 31.3 . 1 1107 . 134 GLU HB2 H 2.40 . 1 1108 . 134 GLU HB3 H 1.97 . 1 1109 . 134 GLU CG C 37.0 . 1 1110 . 134 GLU HG2 H 2.39 . 2 1111 . 134 GLU HG3 H 2.34 . 2 1112 . 135 ARG N N 120.3 . 1 1113 . 135 ARG H H 8.65 . 1 1114 . 135 ARG CA C 59.9 . 1 1115 . 135 ARG HA H 3.87 . 1 1116 . 135 ARG CB C 29.8 . 1 1117 . 135 ARG HB2 H 1.84 . 2 1118 . 135 ARG HB3 H 1.66 . 2 1119 . 135 ARG HG2 H 2.42 . 2 1120 . 135 ARG HG3 H 1.96 . 2 1121 . 135 ARG HD2 H 3.26 . 2 1122 . 135 ARG HD3 H 3.17 . 2 1123 . 136 LEU N N 120.3 . 1 1124 . 136 LEU H H 7.74 . 1 1125 . 136 LEU CA C 57.5 . 1 1126 . 136 LEU HA H 4.24 . 1 1127 . 136 LEU CB C 41.5 . 1 1128 . 136 LEU HB2 H 1.69 . 1 1129 . 136 LEU HB3 H 1.69 . 1 1130 . 136 LEU HG H 1.75 . 1 1131 . 136 LEU HD1 H 0.90 . 2 1132 . 136 LEU HD2 H 0.86 . 2 1133 . 136 LEU CD1 C 26.9 . 1 1134 . 136 LEU CD2 C 24.0 . 1 1135 . 137 GLU N N 123.4 . 1 1136 . 137 GLU H H 8.08 . 1 1137 . 137 GLU CA C 59.6 . 1 1138 . 137 GLU HA H 4.02 . 1 1139 . 137 GLU CB C 29.1 . 1 1140 . 137 GLU HB2 H 2.25 . 2 1141 . 137 GLU HB3 H 2.04 . 2 1142 . 137 GLU CG C 35.7 . 1 1143 . 137 GLU HG2 H 2.40 . 1 1144 . 137 GLU HG3 H 2.40 . 1 1145 . 138 LEU N N 120.3 . 1 1146 . 138 LEU H H 8.64 . 1 1147 . 138 LEU CA C 58.0 . 1 1148 . 138 LEU HA H 4.08 . 1 1149 . 138 LEU CB C 41.4 . 1 1150 . 138 LEU HB2 H 2.03 . 2 1151 . 138 LEU HB3 H 1.50 . 2 1152 . 138 LEU HG H 1.67 . 1 1153 . 138 LEU HD1 H 1.08 . 2 1154 . 138 LEU HD2 H 0.88 . 2 1155 . 138 LEU CD1 C 25.9 . 1 1156 . 138 LEU CD2 C 23.0 . 1 1157 . 139 TRP N N 119.4 . 1 1158 . 139 TRP H H 8.37 . 1 1159 . 139 TRP CA C 61.2 . 1 1160 . 139 TRP HA H 4.34 . 1 1161 . 139 TRP CB C 28.7 . 1 1162 . 139 TRP HB2 H 3.55 . 2 1163 . 139 TRP HB3 H 3.43 . 2 1164 . 139 TRP HD1 H 7.25 . 1 1165 . 139 TRP HE3 H 7.65 . 1 1166 . 139 TRP HE1 H 10.16 . 1 1167 . 139 TRP HZ3 H 7.10 . 1 1168 . 139 TRP HZ2 H 7.41 . 1 1169 . 139 TRP HH2 H 7.18 . 1 1170 . 140 THR N N 116.4 . 1 1171 . 140 THR H H 8.42 . 1 1172 . 140 THR CA C 67.0 . 1 1173 . 140 THR HA H 3.77 . 1 1174 . 140 THR CB C 68.9 . 1 1175 . 140 THR HB H 4.49 . 1 1176 . 140 THR HG2 H 1.30 . 1 1177 . 140 THR CG2 C 21.2 . 1 1178 . 141 LEU N N 123.6 . 1 1179 . 141 LEU H H 8.58 . 1 1180 . 141 LEU CA C 58.1 . 1 1181 . 141 LEU HA H 4.04 . 1 1182 . 141 LEU CB C 42.0 . 1 1183 . 141 LEU HB2 H 1.32 . 1 1184 . 141 LEU HB3 H 2.03 . 1 1185 . 141 LEU HG H 1.93 . 1 1186 . 141 LEU HD1 H 0.90 . 2 1187 . 141 LEU HD2 H 0.96 . 2 1188 . 142 ASN N N 117.5 . 1 1189 . 142 ASN H H 8.71 . 1 1190 . 142 ASN CA C 55.3 . 1 1191 . 142 ASN HA H 4.31 . 1 1192 . 142 ASN CB C 37.4 . 1 1193 . 142 ASN HB2 H 2.92 . 2 1194 . 142 ASN HB3 H 2.64 . 2 1195 . 142 ASN HD21 H 7.37 . 2 1196 . 142 ASN HD22 H 6.40 . 2 1197 . 143 GLN N N 118.1 . 1 1198 . 143 GLN H H 7.67 . 1 1199 . 143 GLN CA C 57.8 . 1 1200 . 143 GLN HA H 3.91 . 1 1201 . 143 GLN CB C 28.6 . 1 1202 . 143 GLN HB2 H 1.93 . 1 1203 . 143 GLN HB3 H 1.93 . 1 1204 . 143 GLN HG2 H 1.85 . 2 1205 . 143 GLN HG3 H 1.78 . 2 1206 . 143 GLN HE21 H 6.75 . 2 1207 . 143 GLN HE22 H 6.51 . 2 1208 . 144 GLU N N 119.4 . 1 1209 . 144 GLU H H 8.07 . 1 1210 . 144 GLU CA C 58.3 . 1 1211 . 144 GLU HA H 4.08 . 1 1212 . 144 GLU CB C 29.6 . 1 1213 . 144 GLU HB2 H 2.05 . 1 1214 . 144 GLU HB3 H 2.05 . 1 1215 . 144 GLU CG C 35.4 . 1 1216 . 144 GLU HG2 H 2.30 . 1 1217 . 144 GLU HG3 H 2.30 . 1 1218 . 145 LEU N N 118.6 . 1 1219 . 145 LEU H H 8.35 . 1 1220 . 145 LEU CA C 55.9 . 1 1221 . 145 LEU HA H 4.18 . 1 1222 . 145 LEU CB C 41.7 . 1 1223 . 145 LEU HB2 H 1.76 . 1 1224 . 145 LEU HB3 H 1.70 . 1 1225 . 145 LEU CG C 27.1 . 1 1226 . 145 LEU HG H 1.56 . 1 1227 . 145 LEU HD1 H 0.89 . 2 1228 . 145 LEU HD2 H 0.76 . 2 1229 . 145 LEU CD1 C 25.2 . 1 1230 . 145 LEU CD2 C 22.7 . 1 1231 . 146 ALA N N 121.4 . 1 1232 . 146 ALA H H 7.41 . 1 1233 . 146 ALA CA C 53.0 . 1 1234 . 146 ALA HA H 4.24 . 1 1235 . 146 ALA HB H 1.42 . 1 1236 . 146 ALA CB C 18.3 . 1 1237 . 147 LYS N N 118.7 . 1 1238 . 147 LYS H H 7.66 . 1 1239 . 147 LYS CA C 56.1 . 1 1240 . 147 LYS CB C 32.7 . 1 1241 . 148 LYS N N 126.8 . 1 1242 . 148 LYS H H 7.63 . 1 stop_ save_