data_4717 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C, and 13CO Assignments for ZipA ; _BMRB_accession_number 4717 _BMRB_flat_file_name bmr4717.str _Entry_type original _Submission_date 2000-04-11 _Accession_date 2000-04-17 _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 Moy Franklin J. . 2 Glasfeld Elizabeth . . 3 Powers Robert . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 767 "13C chemical shifts" 611 "15N chemical shifts" 136 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-05-24 original author . stop_ _Original_release_date 2000-05-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 15N, 13C, and 13CO assignments and secondary structure determination of ZipA* ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Moy Franklin J. . 2 Glasfeld Elizabeth . . 3 Powers Robert . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 17 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 275 _Page_last 276 _Year 2000 _Details . loop_ _Keyword 'Bacterial Cell Division' ZipA 'Resonance assignments' 'Secondary Structure' stop_ save_ ################################## # Molecular system description # ################################## save_system_ZipA _Saveframe_category molecular_system _Mol_system_name 'C-terminal FtsZ binding domain of E. coli ZipA' _Abbreviation_common ZipA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ZipA $ZipA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'bacterial cell division protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ZipA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'E. coli ZipA' _Abbreviation_common ZipA _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 144 _Mol_residue_sequence ; MDKPKRKEAVIIMNVAAHHG SELNGELLLNSIQQAGFIFG DMNIYHRHLSPDGSGPALFS LANMVKPGTFDPEMKDFTTP GVTIFMQVPSYGDELQNFKL MLQSAQHIADEVGGVVLDDQ RRMMTPQKLREYQDIIREVK DANA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 LYS 4 PRO 5 LYS 6 ARG 7 LYS 8 GLU 9 ALA 10 VAL 11 ILE 12 ILE 13 MET 14 ASN 15 VAL 16 ALA 17 ALA 18 HIS 19 HIS 20 GLY 21 SER 22 GLU 23 LEU 24 ASN 25 GLY 26 GLU 27 LEU 28 LEU 29 LEU 30 ASN 31 SER 32 ILE 33 GLN 34 GLN 35 ALA 36 GLY 37 PHE 38 ILE 39 PHE 40 GLY 41 ASP 42 MET 43 ASN 44 ILE 45 TYR 46 HIS 47 ARG 48 HIS 49 LEU 50 SER 51 PRO 52 ASP 53 GLY 54 SER 55 GLY 56 PRO 57 ALA 58 LEU 59 PHE 60 SER 61 LEU 62 ALA 63 ASN 64 MET 65 VAL 66 LYS 67 PRO 68 GLY 69 THR 70 PHE 71 ASP 72 PRO 73 GLU 74 MET 75 LYS 76 ASP 77 PHE 78 THR 79 THR 80 PRO 81 GLY 82 VAL 83 THR 84 ILE 85 PHE 86 MET 87 GLN 88 VAL 89 PRO 90 SER 91 TYR 92 GLY 93 ASP 94 GLU 95 LEU 96 GLN 97 ASN 98 PHE 99 LYS 100 LEU 101 MET 102 LEU 103 GLN 104 SER 105 ALA 106 GLN 107 HIS 108 ILE 109 ALA 110 ASP 111 GLU 112 VAL 113 GLY 114 GLY 115 VAL 116 VAL 117 LEU 118 ASP 119 ASP 120 GLN 121 ARG 122 ARG 123 MET 124 MET 125 THR 126 PRO 127 GLN 128 LYS 129 LEU 130 ARG 131 GLU 132 TYR 133 GLN 134 ASP 135 ILE 136 ILE 137 ARG 138 GLU 139 VAL 140 LYS 141 ASP 142 ALA 143 ASN 144 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-13 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 1F46 "The Bacterial Cell-Division Protein Zipa And Its Interaction With An Ftsz Fragment Revealed By X-Ray Crystallography" 97.22 140 99.29 99.29 2.05e-96 PDB 1F47 "The Bacterial Cell-Division Protein Zipa And Its Interaction With An Ftsz Fragment Revealed By X-Ray Crystallography" 100.00 144 99.31 99.31 9.18e-100 PDB 1F7W "Solution Structure Of C-Terminal Domain Zipa" 100.00 144 100.00 100.00 5.54e-101 PDB 1F7X "Solution Structure Of C-Terminal Domain Zipa" 100.00 144 100.00 100.00 5.54e-101 PDB 1S1J "Crystal Structure Of Zipa In Complex With Indoloquinolizin Inhibitor 1" 100.00 144 99.31 99.31 9.18e-100 PDB 1S1S "Crystal Structure Of Zipa In Complex With Indoloquinolizin 10b" 100.00 144 99.31 99.31 9.18e-100 PDB 1Y2F "Crystal Structure Of Zipa With An Inhibitor" 96.53 139 100.00 100.00 4.44e-97 PDB 1Y2G "Crystal Structure Of Zipa In Complex With An Inhibitor" 97.22 140 100.00 100.00 8.26e-98 DBJ BAA16284 "cell division protein involved in Z ring assembly [Escherichia coli str. K12 substr. W3110]" 100.00 328 100.00 100.00 5.63e-100 DBJ BAB36707 "cell division protein involved in FtsZ ring [Escherichia coli O157:H7 str. Sakai]" 100.00 332 100.00 100.00 3.44e-100 DBJ BAG78227 "cell division protein [Escherichia coli SE11]" 100.00 328 100.00 100.00 4.58e-100 DBJ BAI26665 "cell division protein ZipA [Escherichia coli O26:H11 str. 11368]" 100.00 328 100.00 100.00 4.58e-100 DBJ BAI31697 "cell division protein ZipA [Escherichia coli O103:H2 str. 12009]" 100.00 328 100.00 100.00 4.58e-100 EMBL CAP76884 "Cell division protein zipA [Escherichia coli LF82]" 99.31 332 100.00 100.00 2.28e-99 EMBL CAQ32790 "essential cell division protein ZipA [Escherichia coli BL21(DE3)]" 100.00 328 100.00 100.00 4.58e-100 EMBL CAQ99310 "cell division protein involved in Z ring assembly [Escherichia coli IAI1]" 100.00 328 100.00 100.00 4.58e-100 EMBL CAR03874 "cell division protein involved in Z ring assembly [Escherichia coli S88]" 100.00 332 100.00 100.00 3.92e-100 EMBL CAR09031 "cell division protein involved in Z ring assembly [Escherichia coli ED1a]" 99.31 328 100.00 100.00 1.97e-99 GB AAB42061 "ZipA [Escherichia coli]" 100.00 328 99.31 99.31 2.64e-99 GB AAC75465 "FtsZ stabilizer [Escherichia coli str. K-12 substr. MG1655]" 100.00 328 100.00 100.00 5.63e-100 GB AAG57531 "cell division protein involved in FtsZ ring [Escherichia coli O157:H7 str. EDL933]" 100.00 328 99.31 99.31 3.35e-99 GB AAN43974 "cell division protein involved in FtsZ ring [Shigella flexneri 2a str. 301]" 100.00 327 100.00 100.00 6.08e-100 GB AAN81396 "Cell division protein zipA [Escherichia coli CFT073]" 100.00 349 100.00 100.00 6.99e-100 REF NP_311311 "cell division protein ZipA [Escherichia coli O157:H7 str. Sakai]" 100.00 332 100.00 100.00 3.44e-100 REF NP_416907 "FtsZ stabilizer [Escherichia coli str. K-12 substr. MG1655]" 100.00 328 100.00 100.00 5.63e-100 REF NP_708267 "cell division protein ZipA [Shigella flexneri 2a str. 301]" 100.00 327 100.00 100.00 6.08e-100 REF WP_000314370 "cell division protein ZipA, partial [Escherichia coli]" 100.00 300 100.00 100.00 4.48e-101 REF WP_000983142 "cell division protein ZipA [Escherichia coli]" 98.61 332 100.00 100.00 9.27e-99 SP A1ADS9 "RecName: Full=Cell division protein ZipA" 100.00 332 100.00 100.00 3.92e-100 SP A7ZPL3 "RecName: Full=Cell division protein ZipA" 100.00 328 100.00 100.00 5.33e-100 SP A8A2Q8 "RecName: Full=Cell division protein ZipA" 100.00 328 100.00 100.00 4.58e-100 SP B1IX59 "RecName: Full=Cell division protein ZipA" 100.00 328 100.00 100.00 5.63e-100 SP B1LMK6 "RecName: Full=Cell division protein ZipA" 100.00 332 100.00 100.00 3.92e-100 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $ZipA 'E. coli' 562 Eubacteria . Escherichia coli zipa stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $ZipA 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pEG041 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 $ZipA 1.0 mM [U-15N] 'potassium phosphate' 50 mM . NaN3 2 mM . DTT 50 mM [U-2H] H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ZipA 1.0 mM '[U-13C; U-15N]' 'potassium phosphate' 50 mM . NaN3 2 mM . DTT 50 mM [U-2H] H2O 90 % . D2O 10 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.05 n/a temperature 298 0.2 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 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name ZipA _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 MET CA C 55.00 . . 2 . 1 MET HA H 4.14 . . 3 . 1 MET CB C 32.90 . . 4 . 1 MET HB3 H 2.18 . . 5 . 1 MET CG C 30.70 . . 6 . 1 MET HG3 H 2.62 . . 7 . 1 MET C C 172.10 . . 8 . 2 ASP N N 124.90 . . 9 . 2 ASP H H 8.82 . . 10 . 2 ASP CA C 54.40 . . 11 . 2 ASP HA H 4.67 . . 12 . 2 ASP CB C 41.30 . . 13 . 2 ASP HB3 H 2.67 . . 14 . 2 ASP HB2 H 2.54 . . 15 . 2 ASP C C 175.40 . . 16 . 3 LYS N N 123.00 . . 17 . 3 LYS H H 8.41 . . 18 . 3 LYS CA C 54.30 . . 19 . 3 LYS HA H 4.60 . . 20 . 3 LYS CB C 32.60 . . 21 . 3 LYS HB3 H 1.83 . . 22 . 3 LYS HB2 H 1.74 . . 23 . 3 LYS CG C 24.60 . . 24 . 3 LYS HG3 H 1.49 . . 25 . 3 LYS CD C 29.10 . . 26 . 3 LYS HD3 H 1.73 . . 27 . 3 LYS CE C 39.40 . . 28 . 3 LYS HE3 H 3.02 . . 29 . 4 PRO CA C 62.90 . . 30 . 4 PRO HA H 4.44 . . 31 . 4 PRO CB C 32.20 . . 32 . 4 PRO HB3 H 2.33 . . 33 . 4 PRO HB2 H 1.88 . . 34 . 4 PRO CG C 27.40 . . 35 . 4 PRO HG3 H 2.04 . . 36 . 4 PRO CD C 50.60 . . 37 . 4 PRO HD3 H 3.84 . . 38 . 4 PRO HD2 H 3.63 . . 39 . 4 PRO C C 176.74 . . 40 . 5 LYS N N 122.20 . . 41 . 5 LYS H H 8.44 . . 42 . 5 LYS CA C 56.00 . . 43 . 5 LYS HA H 4.29 . . 44 . 5 LYS CB C 33.50 . . 45 . 5 LYS HB3 H 1.80 . . 46 . 5 LYS HB2 H 1.73 . . 47 . 5 LYS CG C 25.20 . . 48 . 5 LYS HG3 H 1.49 . . 49 . 5 LYS CD C 29.00 . . 50 . 5 LYS HD3 H 1.72 . . 51 . 5 LYS CE C 42.20 . . 52 . 5 LYS HE3 H 3.02 . . 53 . 5 LYS C C 176.53 . . 54 . 6 ARG N N 124.20 . . 55 . 6 ARG H H 8.79 . . 56 . 6 ARG CA C 56.20 . . 57 . 6 ARG HA H 4.25 . . 58 . 6 ARG CB C 31.10 . . 59 . 6 ARG HB3 H 1.81 . . 60 . 6 ARG HB2 H 1.74 . . 61 . 6 ARG CG C 27.30 . . 62 . 6 ARG HG3 H 1.73 . . 63 . 6 ARG HG2 H 1.66 . . 64 . 6 ARG CD C 44.00 . . 65 . 6 ARG HD3 H 3.20 . . 66 . 6 ARG HD2 H 3.12 . . 67 . 6 ARG C C 174.65 . . 68 . 7 LYS N N 120.10 . . 69 . 7 LYS H H 8.38 . . 70 . 7 LYS CA C 56.30 . . 71 . 7 LYS HA H 4.29 . . 72 . 7 LYS CB C 33.50 . . 73 . 7 LYS HB3 H 1.96 . . 74 . 7 LYS HB2 H 1.74 . . 75 . 7 LYS CG C 25.60 . . 76 . 7 LYS HG3 H 1.52 . . 77 . 7 LYS HG2 H 1.38 . . 78 . 7 LYS CD C 29.10 . . 79 . 7 LYS HD3 H 1.68 . . 80 . 7 LYS CE C 42.00 . . 81 . 7 LYS HE3 H 2.99 . . 82 . 7 LYS C C 175.70 . . 83 . 8 GLU N N 116.40 . . 84 . 8 GLU H H 7.75 . . 85 . 8 GLU CA C 54.70 . . 86 . 8 GLU HA H 5.07 . . 87 . 8 GLU CB C 32.90 . . 88 . 8 GLU HB3 H 2.18 . . 89 . 8 GLU HB2 H 2.07 . . 90 . 8 GLU CG C 35.00 . . 91 . 8 GLU HG3 H 2.17 . . 92 . 8 GLU C C 174.30 . . 93 . 9 ALA N N 120.80 . . 94 . 9 ALA H H 8.95 . . 95 . 9 ALA CA C 51.90 . . 96 . 9 ALA HA H 4.63 . . 97 . 9 ALA CB C 22.90 . . 98 . 9 ALA HB H 1.20 . . 99 . 9 ALA C C 174.70 . . 100 . 10 VAL N N 118.90 . . 101 . 10 VAL H H 8.28 . . 102 . 10 VAL CA C 61.40 . . 103 . 10 VAL HA H 4.85 . . 104 . 10 VAL CB C 33.90 . . 105 . 10 VAL HB H 1.98 . . 106 . 10 VAL CG1 C 21.20 . . 107 . 10 VAL HG1 H 0.98 . . 108 . 10 VAL C C 175.00 . . 109 . 11 ILE N N 129.50 . . 110 . 11 ILE H H 9.11 . . 111 . 11 ILE CA C 58.40 . . 112 . 11 ILE HA H 4.26 . . 113 . 11 ILE CB C 37.00 . . 114 . 11 ILE HB H 2.10 . . 115 . 11 ILE CG1 C 26.90 . . 116 . 11 ILE HG13 H 1.51 . . 117 . 11 ILE HG12 H 1.16 . . 118 . 11 ILE CG2 C 17.10 . . 119 . 11 ILE HG2 H 0.51 . . 120 . 11 ILE CD1 C 10.00 . . 121 . 11 ILE HD1 H 0.67 . . 122 . 11 ILE C C 175.00 . . 123 . 12 ILE N N 127.30 . . 124 . 12 ILE H H 8.43 . . 125 . 12 ILE CA C 61.00 . . 126 . 12 ILE HA H 4.98 . . 127 . 12 ILE CB C 41.90 . . 128 . 12 ILE HB H 1.68 . . 129 . 12 ILE CG1 C 28.60 . . 130 . 12 ILE HG13 H 1.59 . . 131 . 12 ILE HG12 H 0.89 . . 132 . 12 ILE CG2 C 18.30 . . 133 . 12 ILE HG2 H 0.85 . . 134 . 12 ILE CD1 C 13.70 . . 135 . 12 ILE HD1 H 0.87 . . 136 . 12 ILE C C 175.40 . . 137 . 13 MET N N 124.40 . . 138 . 13 MET H H 9.33 . . 139 . 13 MET CA C 54.90 . . 140 . 13 MET HA H 4.73 . . 141 . 13 MET CB C 36.10 . . 142 . 13 MET HB3 H 1.96 . . 143 . 13 MET HB2 H 1.80 . . 144 . 13 MET CG C 32.60 . . 145 . 13 MET HG3 H 2.53 . . 146 . 13 MET HG2 H 2.12 . . 147 . 13 MET CE C 18.40 . . 148 . 13 MET HE H 1.64 . . 149 . 13 MET C C 173.07 . . 150 . 14 ASN N N 118.40 . . 151 . 14 ASN H H 9.14 . . 152 . 14 ASN CA C 52.60 . . 153 . 14 ASN HA H 5.77 . . 154 . 14 ASN CB C 43.60 . . 155 . 14 ASN HB3 H 2.44 . . 156 . 14 ASN HB2 H 2.30 . . 157 . 14 ASN HD21 H 7.12 . . 158 . 14 ASN HD22 H 6.64 . . 159 . 14 ASN C C 173.90 . . 160 . 15 VAL N N 121.60 . . 161 . 15 VAL H H 9.07 . . 162 . 15 VAL CA C 62.00 . . 163 . 15 VAL HA H 4.80 . . 164 . 15 VAL CB C 32.60 . . 165 . 15 VAL HB H 1.85 . . 166 . 15 VAL CG2 C 21.40 . . 167 . 15 VAL HG2 H 0.86 . . 168 . 15 VAL CG1 C 20.00 . . 169 . 15 VAL HG1 H 0.62 . . 170 . 15 VAL C C 173.60 . . 171 . 16 ALA N N 128.20 . . 172 . 16 ALA H H 8.82 . . 173 . 16 ALA CA C 49.80 . . 174 . 16 ALA HA H 5.36 . . 175 . 16 ALA CB C 24.40 . . 176 . 16 ALA HB H 1.35 . . 177 . 16 ALA C C 176.19 . . 178 . 17 ALA N N 119.40 . . 179 . 17 ALA H H 7.97 . . 180 . 17 ALA CA C 51.40 . . 181 . 17 ALA HA H 4.32 . . 182 . 17 ALA CB C 19.90 . . 183 . 17 ALA HB H 1.29 . . 184 . 17 ALA C C 178.58 . . 185 . 18 HIS N N 118.20 . . 186 . 18 HIS H H 8.86 . . 187 . 18 HIS CA C 56.80 . . 188 . 18 HIS HA H 4.38 . . 189 . 18 HIS CB C 29.20 . . 190 . 18 HIS HB3 H 3.28 . . 191 . 18 HIS HB2 H 3.04 . . 192 . 18 HIS CD2 C 120.00 . . 193 . 18 HIS HD2 H 7.41 . . 194 . 18 HIS CE1 C 136.70 . . 195 . 18 HIS HE1 H 8.43 . . 196 . 18 HIS C C 174.84 . . 197 . 19 HIS N N 119.60 . . 198 . 19 HIS H H 8.85 . . 199 . 19 HIS CA C 57.90 . . 200 . 19 HIS HA H 4.40 . . 201 . 19 HIS CB C 28.50 . . 202 . 19 HIS HB3 H 3.31 . . 203 . 19 HIS HB2 H 3.23 . . 204 . 19 HIS CD2 C 119.94 . . 205 . 19 HIS HD2 H 7.32 . . 206 . 19 HIS C C 176.15 . . 207 . 20 GLY N N 113.90 . . 208 . 20 GLY H H 8.81 . . 209 . 20 GLY CA C 45.20 . . 210 . 20 GLY HA3 H 4.23 . . 211 . 20 GLY HA2 H 3.62 . . 212 . 20 GLY C C 173.70 . . 213 . 21 SER N N 115.50 . . 214 . 21 SER H H 8.09 . . 215 . 21 SER CA C 57.00 . . 216 . 21 SER HA H 4.85 . . 217 . 21 SER CB C 65.70 . . 218 . 21 SER HB3 H 3.88 . . 219 . 22 GLU N N 116.40 . . 220 . 22 GLU H H 8.30 . . 221 . 22 GLU CA C 55.60 . . 222 . 22 GLU HA H 4.37 . . 223 . 22 GLU CB C 33.80 . . 224 . 22 GLU HB3 H 1.91 . . 225 . 22 GLU HB2 H 1.65 . . 226 . 22 GLU CG C 36.70 . . 227 . 22 GLU HG3 H 2.27 . . 228 . 22 GLU C C 175.48 . . 229 . 23 LEU N N 120.10 . . 230 . 23 LEU H H 9.06 . . 231 . 23 LEU CA C 53.80 . . 232 . 23 LEU HA H 4.51 . . 233 . 23 LEU CB C 42.30 . . 234 . 23 LEU HB2 H 1.99 . . 235 . 23 LEU HB3 H 1.10 . . 236 . 23 LEU CG C 26.70 . . 237 . 23 LEU HG H 1.77 . . 238 . 23 LEU CD1 C 26.60 . . 239 . 23 LEU HD1 H 0.75 . . 240 . 23 LEU CD2 C 21.70 . . 241 . 23 LEU HD2 H 0.71 . . 242 . 23 LEU C C 176.15 . . 243 . 24 ASN N N 121.00 . . 244 . 24 ASN H H 8.57 . . 245 . 24 ASN CA C 54.40 . . 246 . 24 ASN HA H 4.32 . . 247 . 24 ASN CB C 40.00 . . 248 . 24 ASN HB2 H 2.85 . . 249 . 24 ASN HB3 H 2.70 . . 250 . 24 ASN ND2 N 113.50 . . 251 . 24 ASN HD21 H 7.81 . . 252 . 24 ASN HD22 H 7.13 . . 253 . 24 ASN C C 175.16 . . 254 . 25 GLY N N 116.70 . . 255 . 25 GLY H H 8.20 . . 256 . 25 GLY CA C 47.50 . . 257 . 25 GLY HA3 H 2.78 . . 258 . 25 GLY HA2 H 2.27 . . 259 . 25 GLY C C 173.84 . . 260 . 26 GLU N N 122.10 . . 261 . 26 GLU H H 8.17 . . 262 . 26 GLU CA C 60.10 . . 263 . 26 GLU HA H 3.95 . . 264 . 26 GLU CB C 29.20 . . 265 . 26 GLU HB3 H 2.13 . . 266 . 26 GLU CG C 36.70 . . 267 . 26 GLU HG3 H 2.29 . . 268 . 26 GLU C C 178.97 . . 269 . 27 LEU N N 120.00 . . 270 . 27 LEU H H 7.98 . . 271 . 27 LEU CA C 57.40 . . 272 . 27 LEU HA H 4.13 . . 273 . 27 LEU CB C 42.00 . . 274 . 27 LEU HB3 H 1.69 . . 275 . 27 LEU CG C 27.30 . . 276 . 27 LEU HG H 1.58 . . 277 . 27 LEU CD1 C 24.60 . . 278 . 27 LEU HD1 H 1.00 . . 279 . 27 LEU CD2 C 23.90 . . 280 . 27 LEU HD2 H 0.99 . . 281 . 27 LEU C C 180.01 . . 282 . 28 LEU N N 120.60 . . 283 . 28 LEU H H 8.43 . . 284 . 28 LEU CA C 58.20 . . 285 . 28 LEU HA H 3.87 . . 286 . 28 LEU CB C 42.20 . . 287 . 28 LEU HB3 H 2.03 . . 288 . 28 LEU CG C 26.70 . . 289 . 28 LEU HG H 1.37 . . 290 . 28 LEU CD1 C 26.60 . . 291 . 28 LEU HD1 H 0.85 . . 292 . 28 LEU CD2 C 22.80 . . 293 . 28 LEU HD2 H 0.70 . . 294 . 28 LEU C C 178.15 . . 295 . 29 LEU N N 118.60 . . 296 . 29 LEU H H 8.87 . . 297 . 29 LEU CA C 58.40 . . 298 . 29 LEU HA H 3.70 . . 299 . 29 LEU CB C 40.50 . . 300 . 29 LEU HB2 H 1.94 . . 301 . 29 LEU HB3 H 1.35 . . 302 . 29 LEU CG C 26.80 . . 303 . 29 LEU HG H 2.09 . . 304 . 29 LEU CD1 C 26.10 . . 305 . 29 LEU HD1 H 1.01 . . 306 . 29 LEU CD2 C 22.00 . . 307 . 29 LEU HD2 H 0.68 . . 308 . 29 LEU C C 179.91 . . 309 . 30 ASN N N 117.60 . . 310 . 30 ASN H H 7.79 . . 311 . 30 ASN CA C 56.70 . . 312 . 30 ASN HA H 4.46 . . 313 . 30 ASN CB C 38.30 . . 314 . 30 ASN HB3 H 2.89 . . 315 . 30 ASN HB2 H 2.83 . . 316 . 30 ASN C C 177.49 . . 317 . 31 SER N N 116.90 . . 318 . 31 SER H H 8.12 . . 319 . 31 SER CA C 62.30 . . 320 . 31 SER HA H 4.18 . . 321 . 31 SER CB C 63.20 . . 322 . 31 SER HB3 H 3.84 . . 323 . 31 SER HB2 H 3.80 . . 324 . 31 SER C C 177.26 . . 325 . 32 ILE N N 122.10 . . 326 . 32 ILE H H 8.49 . . 327 . 32 ILE CA C 65.80 . . 328 . 32 ILE HA H 3.42 . . 329 . 32 ILE CB C 38.30 . . 330 . 32 ILE HB H 1.41 . . 331 . 32 ILE CG1 C 28.40 . . 332 . 32 ILE HG13 H 1.44 . . 333 . 32 ILE HG12 H 0.48 . . 334 . 32 ILE CG2 C 17.20 . . 335 . 32 ILE HG2 H -0.14 . . 336 . 32 ILE CD1 C 14.30 . . 337 . 32 ILE HD1 H -0.06 . . 338 . 32 ILE C C 178.18 . . 339 . 33 GLN N N 119.80 . . 340 . 33 GLN H H 7.76 . . 341 . 33 GLN CA C 59.10 . . 342 . 33 GLN HA H 4.44 . . 343 . 33 GLN CB C 28.40 . . 344 . 33 GLN HB3 H 2.33 . . 345 . 33 GLN CG C 34.80 . . 346 . 33 GLN HG3 H 2.64 . . 347 . 33 GLN HG2 H 2.53 . . 348 . 33 GLN C C 181.19 . . 349 . 34 GLN N N 120.80 . . 350 . 34 GLN H H 8.41 . . 351 . 34 GLN CA C 58.50 . . 352 . 34 GLN HA H 4.15 . . 353 . 34 GLN CB C 28.40 . . 354 . 34 GLN HB3 H 2.27 . . 355 . 34 GLN CG C 34.20 . . 356 . 34 GLN HG3 H 2.61 . . 357 . 34 GLN HG2 H 2.51 . . 358 . 34 GLN C C 177.24 . . 359 . 35 ALA N N 119.30 . . 360 . 35 ALA H H 7.66 . . 361 . 35 ALA CA C 52.00 . . 362 . 35 ALA HA H 4.47 . . 363 . 35 ALA CB C 18.30 . . 364 . 35 ALA HB H 1.73 . . 365 . 35 ALA C C 176.89 . . 366 . 36 GLY N N 105.30 . . 367 . 36 GLY H H 7.87 . . 368 . 36 GLY CA C 45.80 . . 369 . 36 GLY HA3 H 4.01 . . 370 . 36 GLY HA2 H 3.88 . . 371 . 36 GLY C C 173.70 . . 372 . 37 PHE N N 117.00 . . 373 . 37 PHE H H 7.64 . . 374 . 37 PHE CA C 58.90 . . 375 . 37 PHE HA H 4.43 . . 376 . 37 PHE CB C 40.50 . . 377 . 37 PHE HB2 H 2.99 . . 378 . 37 PHE HB3 H 2.77 . . 379 . 37 PHE CD1 C 132.60 . . 380 . 37 PHE HD1 H 7.16 . . 381 . 37 PHE CE1 C 130.90 . . 382 . 37 PHE HE1 H 7.07 . . 383 . 37 PHE HZ H 7.20 . . 384 . 37 PHE C C 175.78 . . 385 . 38 ILE N N 120.00 . . 386 . 38 ILE H H 9.23 . . 387 . 38 ILE CA C 59.30 . . 388 . 38 ILE HA H 4.83 . . 389 . 38 ILE CB C 41.30 . . 390 . 38 ILE HB H 2.06 . . 391 . 38 ILE CG1 C 27.00 . . 392 . 38 ILE HG13 H 1.59 . . 393 . 38 ILE HG12 H 1.47 . . 394 . 38 ILE CG2 C 17.50 . . 395 . 38 ILE HG2 H 1.11 . . 396 . 38 ILE CD1 C 12.60 . . 397 . 38 ILE HD1 H 0.84 . . 398 . 38 ILE C C 176.75 . . 399 . 39 PHE N N 133.40 . . 400 . 39 PHE H H 9.51 . . 401 . 39 PHE CA C 59.40 . . 402 . 39 PHE HA H 3.69 . . 403 . 39 PHE CB C 39.10 . . 404 . 39 PHE HB3 H 2.80 . . 405 . 39 PHE HB2 H 2.67 . . 406 . 39 PHE CD1 C 131.30 . . 407 . 39 PHE HD1 H 6.33 . . 408 . 39 PHE CE1 C 131.00 . . 409 . 39 PHE HE1 H 7.18 . . 410 . 39 PHE CZ C 130.00 . . 411 . 39 PHE HZ H 7.36 . . 412 . 39 PHE C C 176.03 . . 413 . 40 GLY N N 113.90 . . 414 . 40 GLY H H 7.70 . . 415 . 40 GLY CA C 46.80 . . 416 . 40 GLY HA3 H 4.08 . . 417 . 40 GLY HA2 H 3.89 . . 418 . 40 GLY C C 172.53 . . 419 . 41 ASP N N 127.10 . . 420 . 41 ASP H H 8.71 . . 421 . 41 ASP CA C 56.20 . . 422 . 41 ASP HA H 4.34 . . 423 . 41 ASP CB C 40.90 . . 424 . 41 ASP HB3 H 2.46 . . 425 . 41 ASP C C 177.08 . . 426 . 42 MET N N 115.80 . . 427 . 42 MET H H 8.90 . . 428 . 42 MET CA C 56.90 . . 429 . 42 MET HA H 4.02 . . 430 . 42 MET CB C 29.00 . . 431 . 42 MET HB2 H 2.52 . . 432 . 42 MET HB3 H 2.33 . . 433 . 42 MET CG C 32.70 . . 434 . 42 MET HG3 H 2.53 . . 435 . 42 MET HG2 H 2.34 . . 436 . 42 MET C C 174.28 . . 437 . 43 ASN N N 111.70 . . 438 . 43 ASN H H 8.25 . . 439 . 43 ASN CA C 55.20 . . 440 . 43 ASN HA H 3.91 . . 441 . 43 ASN CB C 35.60 . . 442 . 43 ASN HB3 H 3.60 . . 443 . 43 ASN HB2 H 3.22 . . 444 . 43 ASN C C 173.06 . . 445 . 44 ILE N N 108.40 . . 446 . 44 ILE H H 6.52 . . 447 . 44 ILE CA C 60.00 . . 448 . 44 ILE HA H 4.98 . . 449 . 44 ILE CB C 40.00 . . 450 . 44 ILE HB H 2.86 . . 451 . 44 ILE CG1 C 25.20 . . 452 . 44 ILE HG13 H 1.15 . . 453 . 44 ILE HG12 H 0.81 . . 454 . 44 ILE CG2 C 18.20 . . 455 . 44 ILE HG2 H 1.21 . . 456 . 44 ILE CD1 C 14.50 . . 457 . 44 ILE HD1 H 1.02 . . 458 . 44 ILE C C 173.42 . . 459 . 45 TYR N N 115.30 . . 460 . 45 TYR H H 8.04 . . 461 . 45 TYR CA C 58.40 . . 462 . 45 TYR HA H 4.90 . . 463 . 45 TYR CB C 42.80 . . 464 . 45 TYR HB3 H 2.78 . . 465 . 45 TYR CD1 C 132.50 . . 466 . 45 TYR HD1 H 6.58 . . 467 . 45 TYR CE1 C 118.20 . . 468 . 45 TYR HE1 H 6.20 . . 469 . 45 TYR C C 175.99 . . 470 . 46 HIS N N 115.40 . . 471 . 46 HIS H H 9.00 . . 472 . 46 HIS CA C 55.40 . . 473 . 46 HIS HA H 5.27 . . 474 . 46 HIS CB C 33.90 . . 475 . 46 HIS HB2 H 3.00 . . 476 . 46 HIS HB3 H 2.52 . . 477 . 46 HIS CD2 C 120.10 . . 478 . 46 HIS HD2 H 6.93 . . 479 . 46 HIS CE1 C 137.90 . . 480 . 46 HIS HE1 H 7.88 . . 481 . 46 HIS C C 173.91 . . 482 . 47 ARG N N 128.00 . . 483 . 47 ARG H H 8.82 . . 484 . 47 ARG CA C 53.90 . . 485 . 47 ARG HA H 4.43 . . 486 . 47 ARG CB C 30.70 . . 487 . 47 ARG HB3 H 0.25 . . 488 . 47 ARG HB2 H -0.20 . . 489 . 47 ARG CG C 27.30 . . 490 . 47 ARG HG3 H 0.88 . . 491 . 47 ARG CD C 42.50 . . 492 . 47 ARG HD3 H 2.73 . . 493 . 47 ARG HD2 H 2.69 . . 494 . 47 ARG C C 174.84 . . 495 . 48 HIS N N 126.50 . . 496 . 48 HIS H H 9.67 . . 497 . 48 HIS CA C 54.50 . . 498 . 48 HIS HA H 4.90 . . 499 . 48 HIS CB C 29.60 . . 500 . 48 HIS HB3 H 3.14 . . 501 . 48 HIS HB2 H 2.89 . . 502 . 48 HIS CD2 C 120.80 . . 503 . 48 HIS HD2 H 7.12 . . 504 . 48 HIS C C 173.50 . . 505 . 49 LEU N N 120.90 . . 506 . 49 LEU H H 8.11 . . 507 . 49 LEU CA C 58.20 . . 508 . 49 LEU HA H 3.97 . . 509 . 49 LEU CB C 43.40 . . 510 . 49 LEU HB3 H 1.89 . . 511 . 49 LEU HB2 H 1.41 . . 512 . 49 LEU CG C 27.00 . . 513 . 49 LEU HG H 1.66 . . 514 . 49 LEU CD2 C 25.50 . . 515 . 49 LEU HD2 H 0.94 . . 516 . 49 LEU CD1 C 23.90 . . 517 . 49 LEU HD1 H 1.02 . . 518 . 49 LEU C C 176.99 . . 519 . 50 SER N N 110.10 . . 520 . 50 SER H H 7.76 . . 521 . 50 SER CA C 54.80 . . 522 . 50 SER HA H 5.09 . . 523 . 50 SER CB C 63.90 . . 524 . 50 SER HB3 H 3.90 . . 525 . 50 SER HB2 H 3.81 . . 526 . 51 PRO CA C 64.60 . . 527 . 51 PRO HA H 4.32 . . 528 . 51 PRO CB C 31.90 . . 529 . 51 PRO HB3 H 2.32 . . 530 . 51 PRO HB2 H 2.08 . . 531 . 51 PRO CG C 27.30 . . 532 . 51 PRO HG3 H 2.07 . . 533 . 51 PRO HG2 H 2.01 . . 534 . 51 PRO CD C 51.50 . . 535 . 51 PRO HD3 H 3.99 . . 536 . 51 PRO HD2 H 3.87 . . 537 . 51 PRO C C 175.23 . . 538 . 52 ASP N N 114.50 . . 539 . 52 ASP H H 7.67 . . 540 . 52 ASP CA C 53.50 . . 541 . 52 ASP HA H 4.46 . . 542 . 52 ASP CB C 39.90 . . 543 . 52 ASP HB3 H 2.99 . . 544 . 52 ASP HB2 H 2.59 . . 545 . 52 ASP C C 177.02 . . 546 . 53 GLY N N 107.50 . . 547 . 53 GLY H H 7.88 . . 548 . 53 GLY CA C 45.10 . . 549 . 53 GLY HA3 H 4.05 . . 550 . 53 GLY HA2 H 3.24 . . 551 . 53 GLY C C 172.73 . . 552 . 54 SER N N 115.60 . . 553 . 54 SER H H 7.82 . . 554 . 54 SER CA C 58.60 . . 555 . 54 SER HA H 4.29 . . 556 . 54 SER CB C 64.40 . . 557 . 54 SER HB3 H 3.88 . . 558 . 54 SER HB2 H 3.81 . . 559 . 54 SER C C 174.11 . . 560 . 55 GLY N N 106.30 . . 561 . 55 GLY H H 8.30 . . 562 . 55 GLY CA C 44.70 . . 563 . 55 GLY HA3 H 4.31 . . 564 . 55 GLY HA2 H 3.88 . . 565 . 56 PRO CA C 62.70 . . 566 . 56 PRO HA H 4.31 . . 567 . 56 PRO CB C 32.30 . . 568 . 56 PRO HB3 H 1.95 . . 569 . 56 PRO HB2 H 1.33 . . 570 . 56 PRO CG C 26.80 . . 571 . 56 PRO HG3 H 1.35 . . 572 . 56 PRO HG2 H 1.14 . . 573 . 56 PRO CD C 49.60 . . 574 . 56 PRO HD3 H 3.40 . . 575 . 56 PRO HD2 H 3.20 . . 576 . 56 PRO C C 175.87 . . 577 . 57 ALA N N 122.50 . . 578 . 57 ALA H H 8.44 . . 579 . 57 ALA CA C 52.00 . . 580 . 57 ALA HA H 3.41 . . 581 . 57 ALA CB C 18.30 . . 582 . 57 ALA HB H 0.87 . . 583 . 57 ALA C C 176.38 . . 584 . 58 LEU N N 122.10 . . 585 . 58 LEU H H 8.99 . . 586 . 58 LEU CA C 55.90 . . 587 . 58 LEU HA H 4.38 . . 588 . 58 LEU CB C 44.00 . . 589 . 58 LEU HB3 H 1.18 . . 590 . 58 LEU CG C 26.80 . . 591 . 58 LEU HG H 1.37 . . 592 . 58 LEU CD1 C 21.60 . . 593 . 58 LEU HD1 H 0.81 . . 594 . 58 LEU CD2 C 25.50 . . 595 . 58 LEU HD2 H 0.69 . . 596 . 58 LEU C C 177.28 . . 597 . 59 PHE N N 110.00 . . 598 . 59 PHE H H 7.07 . . 599 . 59 PHE CA C 55.60 . . 600 . 59 PHE HA H 5.07 . . 601 . 59 PHE CB C 40.10 . . 602 . 59 PHE HB2 H 3.54 . . 603 . 59 PHE HB3 H 3.13 . . 604 . 59 PHE CD1 C 132.80 . . 605 . 59 PHE HD1 H 6.92 . . 606 . 59 PHE CE1 C 131.00 . . 607 . 59 PHE HE1 H 7.07 . . 608 . 59 PHE CZ C 128.70 . . 609 . 59 PHE HZ H 6.83 . . 610 . 59 PHE C C 174.39 . . 611 . 60 SER N N 115.50 . . 612 . 60 SER H H 8.64 . . 613 . 60 SER CA C 58.60 . . 614 . 60 SER HA H 5.37 . . 615 . 60 SER CB C 66.00 . . 616 . 60 SER HB3 H 3.62 . . 617 . 60 SER HB2 H 2.32 . . 618 . 60 SER C C 170.30 . . 619 . 61 LEU N N 124.60 . . 620 . 61 LEU H H 8.77 . . 621 . 61 LEU CA C 55.00 . . 622 . 61 LEU HA H 5.53 . . 623 . 61 LEU CB C 46.60 . . 624 . 61 LEU HB3 H 0.83 . . 625 . 61 LEU HB2 H 1.13 . . 626 . 61 LEU CG C 27.30 . . 627 . 61 LEU HG H 1.32 . . 628 . 61 LEU CD2 C 26.00 . . 629 . 61 LEU HD2 H 0.61 . . 630 . 61 LEU CD1 C 27.90 . . 631 . 61 LEU HD1 H -0.08 . . 632 . 61 LEU C C 173.38 . . 633 . 62 ALA N N 128.30 . . 634 . 62 ALA H H 9.57 . . 635 . 62 ALA CA C 49.60 . . 636 . 62 ALA HA H 5.26 . . 637 . 62 ALA CB C 23.60 . . 638 . 62 ALA HB H 1.68 . . 639 . 62 ALA C C 175.60 . . 640 . 63 ASN N N 121.70 . . 641 . 63 ASN H H 8.83 . . 642 . 63 ASN CA C 52.60 . . 643 . 63 ASN HA H 4.63 . . 644 . 63 ASN CB C 38.20 . . 645 . 63 ASN HB2 H 2.37 . . 646 . 63 ASN HB3 H 1.24 . . 647 . 63 ASN HD21 H 7.28 . . 648 . 63 ASN HD22 H 6.87 . . 649 . 63 ASN C C 176.60 . . 650 . 64 MET N N 123.70 . . 651 . 64 MET H H 8.67 . . 652 . 64 MET CA C 59.00 . . 653 . 64 MET HA H 4.05 . . 654 . 64 MET CB C 34.00 . . 655 . 64 MET HB2 H 1.87 . . 656 . 64 MET HB3 H 1.69 . . 657 . 64 MET CG C 34.30 . . 658 . 64 MET HG3 H 2.39 . . 659 . 64 MET HG2 H 2.17 . . 660 . 64 MET CE C 16.76 . . 661 . 64 MET HE H 1.86 . . 662 . 64 MET C C 176.90 . . 663 . 65 VAL N N 116.70 . . 664 . 65 VAL H H 7.02 . . 665 . 65 VAL CA C 61.60 . . 666 . 65 VAL HA H 3.98 . . 667 . 65 VAL CB C 32.40 . . 668 . 65 VAL HB H 1.88 . . 669 . 65 VAL CG1 C 21.00 . . 670 . 65 VAL HG1 H 1.14 . . 671 . 65 VAL CG2 C 21.00 . . 672 . 65 VAL HG2 H 1.03 . . 673 . 65 VAL C C 176.00 . . 674 . 66 LYS N N 129.50 . . 675 . 66 LYS H H 8.63 . . 676 . 66 LYS CA C 55.80 . . 677 . 66 LYS HA H 4.12 . . 678 . 66 LYS CB C 31.50 . . 679 . 66 LYS HB3 H 1.78 . . 680 . 66 LYS CG C 25.00 . . 681 . 66 LYS HG3 H 1.58 . . 682 . 66 LYS HG2 H 1.42 . . 683 . 66 LYS CD C 26.80 . . 684 . 66 LYS HD3 H 1.57 . . 685 . 66 LYS HD2 H 1.51 . . 686 . 66 LYS CE C 41.10 . . 687 . 66 LYS HE3 H 2.75 . . 688 . 66 LYS HE2 H 2.63 . . 689 . 67 PRO CA C 63.90 . . 690 . 67 PRO HA H 4.61 . . 691 . 67 PRO CB C 33.50 . . 692 . 67 PRO HB3 H 2.47 . . 693 . 67 PRO HB2 H 2.23 . . 694 . 67 PRO CG C 24.50 . . 695 . 67 PRO HG3 H 2.01 . . 696 . 67 PRO HG2 H 1.83 . . 697 . 67 PRO CD C 49.70 . . 698 . 67 PRO HD3 H 3.63 . . 699 . 67 PRO HD2 H 3.52 . . 700 . 67 PRO C C 176.45 . . 701 . 68 GLY N N 114.40 . . 702 . 68 GLY H H 9.16 . . 703 . 68 GLY CA C 45.60 . . 704 . 68 GLY HA3 H 4.33 . . 705 . 68 GLY HA2 H 4.17 . . 706 . 68 GLY C C 173.60 . . 707 . 69 THR N N 107.60 . . 708 . 69 THR H H 6.88 . . 709 . 69 THR CA C 60.20 . . 710 . 69 THR HA H 4.58 . . 711 . 69 THR CB C 71.00 . . 712 . 69 THR HB H 4.63 . . 713 . 69 THR CG2 C 22.60 . . 714 . 69 THR HG2 H 1.33 . . 715 . 69 THR C C 174.40 . . 716 . 70 PHE N N 115.20 . . 717 . 70 PHE H H 8.60 . . 718 . 70 PHE CA C 56.70 . . 719 . 70 PHE HA H 4.77 . . 720 . 70 PHE CB C 43.10 . . 721 . 70 PHE HB3 H 3.03 . . 722 . 70 PHE HB2 H 2.75 . . 723 . 70 PHE CD1 C 132.90 . . 724 . 70 PHE HD1 H 7.45 . . 725 . 70 PHE CE1 C 130.40 . . 726 . 70 PHE HE1 H 7.31 . . 727 . 70 PHE CZ C 128.50 . . 728 . 70 PHE HZ H 6.90 . . 729 . 70 PHE C C 174.46 . . 730 . 71 ASP N N 118.90 . . 731 . 71 ASP H H 8.33 . . 732 . 71 ASP CA C 50.50 . . 733 . 71 ASP HA H 4.96 . . 734 . 71 ASP CB C 42.10 . . 735 . 71 ASP HB3 H 2.80 . . 736 . 71 ASP HB2 H 2.52 . . 737 . 72 PRO CA C 64.00 . . 738 . 72 PRO HA H 4.02 . . 739 . 72 PRO CB C 32.00 . . 740 . 72 PRO HB3 H 1.88 . . 741 . 72 PRO HB2 H 1.71 . . 742 . 72 PRO CG C 26.60 . . 743 . 72 PRO HG3 H 1.18 . . 744 . 72 PRO HG2 H 1.34 . . 745 . 72 PRO CD C 50.80 . . 746 . 72 PRO HD3 H 3.50 . . 747 . 72 PRO HD2 H 3.05 . . 748 . 72 PRO C C 176.89 . . 749 . 73 GLU N N 114.80 . . 750 . 73 GLU H H 7.97 . . 751 . 73 GLU CA C 56.00 . . 752 . 73 GLU HA H 4.23 . . 753 . 73 GLU CB C 29.50 . . 754 . 73 GLU HB3 H 2.16 . . 755 . 73 GLU HB2 H 1.89 . . 756 . 73 GLU CG C 36.20 . . 757 . 73 GLU HG3 H 2.24 . . 758 . 73 GLU C C 176.35 . . 759 . 74 MET N N 122.20 . . 760 . 74 MET H H 7.82 . . 761 . 74 MET CA C 55.50 . . 762 . 74 MET HA H 4.44 . . 763 . 74 MET CB C 32.40 . . 764 . 74 MET HB3 H 2.13 . . 765 . 74 MET HB2 H 1.89 . . 766 . 74 MET CG C 32.30 . . 767 . 74 MET HG3 H 2.58 . . 768 . 74 MET HG2 H 2.49 . . 769 . 74 MET CE C 25.90 . . 770 . 74 MET HE H 1.01 . . 771 . 74 MET C C 174.58 . . 772 . 75 LYS N N 121.80 . . 773 . 75 LYS H H 8.28 . . 774 . 75 LYS CA C 56.20 . . 775 . 75 LYS HA H 4.47 . . 776 . 75 LYS CB C 33.70 . . 777 . 75 LYS HB3 H 1.87 . . 778 . 75 LYS HB2 H 1.74 . . 779 . 75 LYS CG C 25.00 . . 780 . 75 LYS HG3 H 1.42 . . 781 . 75 LYS CD C 29.00 . . 782 . 75 LYS HD3 H 1.67 . . 783 . 75 LYS CE C 42.20 . . 784 . 75 LYS HE3 H 3.00 . . 785 . 75 LYS C C 175.91 . . 786 . 76 ASP N N 119.10 . . 787 . 76 ASP H H 8.31 . . 788 . 76 ASP CA C 53.60 . . 789 . 76 ASP HA H 4.77 . . 790 . 76 ASP CB C 40.00 . . 791 . 76 ASP HB3 H 2.86 . . 792 . 76 ASP HB2 H 2.64 . . 793 . 76 ASP C C 174.04 . . 794 . 77 PHE N N 118.20 . . 795 . 77 PHE H H 7.85 . . 796 . 77 PHE CA C 56.00 . . 797 . 77 PHE HA H 5.10 . . 798 . 77 PHE CB C 41.00 . . 799 . 77 PHE HB2 H 3.30 . . 800 . 77 PHE HB3 H 3.17 . . 801 . 77 PHE CD1 C 132.90 . . 802 . 77 PHE HD1 H 7.12 . . 803 . 77 PHE CE1 C 130.80 . . 804 . 77 PHE HE1 H 7.24 . . 805 . 77 PHE CZ C 129.20 . . 806 . 77 PHE HZ H 7.17 . . 807 . 77 PHE C C 173.40 . . 808 . 78 THR N N 111.00 . . 809 . 78 THR H H 8.46 . . 810 . 78 THR CA C 59.90 . . 811 . 78 THR HA H 4.99 . . 812 . 78 THR CB C 71.90 . . 813 . 78 THR HB H 4.14 . . 814 . 78 THR CG2 C 21.30 . . 815 . 78 THR HG2 H 1.11 . . 816 . 78 THR C C 173.60 . . 817 . 79 THR N N 113.40 . . 818 . 79 THR H H 8.09 . . 819 . 79 THR CA C 56.40 . . 820 . 79 THR HA H 5.37 . . 821 . 79 THR CB C 69.00 . . 822 . 79 THR HB H 4.65 . . 823 . 79 THR CG2 C 21.60 . . 824 . 79 THR HG2 H 1.11 . . 825 . 80 PRO CA C 64.50 . . 826 . 80 PRO HA H 4.57 . . 827 . 80 PRO CB C 32.50 . . 828 . 80 PRO HB3 H 2.49 . . 829 . 80 PRO HB2 H 2.04 . . 830 . 80 PRO CG C 27.20 . . 831 . 80 PRO HG3 H 2.03 . . 832 . 80 PRO HG2 H 1.89 . . 833 . 80 PRO CD C 52.20 . . 834 . 80 PRO HD3 H 4.23 . . 835 . 80 PRO HD2 H 3.78 . . 836 . 80 PRO C C 176.43 . . 837 . 81 GLY N N 106.20 . . 838 . 81 GLY H H 8.53 . . 839 . 81 GLY CA C 46.90 . . 840 . 81 GLY HA3 H 5.02 . . 841 . 81 GLY HA2 H 4.03 . . 842 . 81 GLY C C 171.10 . . 843 . 82 VAL N N 107.00 . . 844 . 82 VAL H H 9.04 . . 845 . 82 VAL CA C 58.70 . . 846 . 82 VAL HA H 5.24 . . 847 . 82 VAL CB C 35.20 . . 848 . 82 VAL HB H 2.40 . . 849 . 82 VAL CG1 C 24.80 . . 850 . 82 VAL HG1 H 1.12 . . 851 . 82 VAL CG2 C 17.70 . . 852 . 82 VAL HG2 H 0.72 . . 853 . 82 VAL C C 173.44 . . 854 . 83 THR N N 119.90 . . 855 . 83 THR H H 9.27 . . 856 . 83 THR CA C 61.50 . . 857 . 83 THR HA H 4.99 . . 858 . 83 THR CB C 71.90 . . 859 . 83 THR HB H 3.64 . . 860 . 83 THR CG2 C 22.00 . . 861 . 83 THR HG2 H 1.16 . . 862 . 83 THR C C 172.49 . . 863 . 84 ILE N N 128.30 . . 864 . 84 ILE H H 9.13 . . 865 . 84 ILE CA C 59.80 . . 866 . 84 ILE HA H 5.36 . . 867 . 84 ILE CB C 40.00 . . 868 . 84 ILE HB H 1.55 . . 869 . 84 ILE CG1 C 28.20 . . 870 . 84 ILE HG13 H 1.61 . . 871 . 84 ILE HG12 H 0.76 . . 872 . 84 ILE CG2 C 18.50 . . 873 . 84 ILE HG2 H 1.04 . . 874 . 84 ILE CD1 C 14.20 . . 875 . 84 ILE HD1 H 0.71 . . 876 . 84 ILE C C 173.88 . . 877 . 85 PHE N N 121.60 . . 878 . 85 PHE H H 9.00 . . 879 . 85 PHE CA C 54.70 . . 880 . 85 PHE HA H 6.08 . . 881 . 85 PHE CB C 42.80 . . 882 . 85 PHE HB3 H 2.88 . . 883 . 85 PHE HB2 H 2.74 . . 884 . 85 PHE CD1 C 132.70 . . 885 . 85 PHE HD1 H 6.97 . . 886 . 85 PHE CE1 C 131.00 . . 887 . 85 PHE HE1 H 7.24 . . 888 . 85 PHE CZ C 132.90 . . 889 . 85 PHE HZ H 7.12 . . 890 . 85 PHE C C 173.27 . . 891 . 86 MET N N 121.40 . . 892 . 86 MET H H 9.03 . . 893 . 86 MET CA C 54.40 . . 894 . 86 MET HA H 4.97 . . 895 . 86 MET CB C 39.00 . . 896 . 86 MET HB2 H 2.35 . . 897 . 86 MET HB3 H 2.24 . . 898 . 86 MET CG C 31.40 . . 899 . 86 MET HG3 H 3.00 . . 900 . 86 MET HG2 H 2.51 . . 901 . 86 MET C C 174.32 . . 902 . 87 GLN N N 127.50 . . 903 . 87 GLN H H 9.12 . . 904 . 87 GLN CA C 55.80 . . 905 . 87 GLN HA H 4.86 . . 906 . 87 GLN CB C 29.90 . . 907 . 87 GLN HB3 H 2.18 . . 908 . 87 GLN CG C 34.30 . . 909 . 87 GLN HG3 H 2.45 . . 910 . 87 GLN HG2 H 2.41 . . 911 . 87 GLN C C 174.77 . . 912 . 88 VAL N N 119.60 . . 913 . 88 VAL H H 8.81 . . 914 . 88 VAL CA C 58.10 . . 915 . 88 VAL HA H 4.52 . . 916 . 88 VAL CB C 34.00 . . 917 . 88 VAL HB H 2.03 . . 918 . 88 VAL CG1 C 22.60 . . 919 . 88 VAL HG1 H 0.99 . . 920 . 88 VAL CG2 C 20.90 . . 921 . 88 VAL HG2 H 0.90 . . 922 . 89 PRO CA C 63.00 . . 923 . 89 PRO HA H 4.72 . . 924 . 89 PRO CB C 35.60 . . 925 . 89 PRO HB3 H 2.39 . . 926 . 89 PRO HB2 H 2.17 . . 927 . 89 PRO CG C 25.30 . . 928 . 89 PRO HG3 H 1.94 . . 929 . 89 PRO HG2 H 1.81 . . 930 . 89 PRO CD C 50.90 . . 931 . 89 PRO HD3 H 3.77 . . 932 . 89 PRO C C 175.90 . . 933 . 90 SER N N 118.20 . . 934 . 90 SER H H 9.90 . . 935 . 90 SER CA C 56.90 . . 936 . 90 SER HA H 4.60 . . 937 . 90 SER CB C 64.90 . . 938 . 90 SER HB3 H 4.19 . . 939 . 90 SER HB2 H 4.06 . . 940 . 90 SER C C 173.70 . . 941 . 91 TYR N N 121.50 . . 942 . 91 TYR H H 8.37 . . 943 . 91 TYR CA C 58.80 . . 944 . 91 TYR HA H 4.42 . . 945 . 91 TYR CB C 39.80 . . 946 . 91 TYR HB2 H 2.96 . . 947 . 91 TYR HB3 H 2.77 . . 948 . 91 TYR CD1 C 133.30 . . 949 . 91 TYR HD1 H 7.09 . . 950 . 91 TYR CE1 C 118.20 . . 951 . 91 TYR HE1 H 6.87 . . 952 . 91 TYR C C 175.47 . . 953 . 92 GLY N N 112.20 . . 954 . 92 GLY H H 7.89 . . 955 . 92 GLY CA C 45.10 . . 956 . 92 GLY HA3 H 3.87 . . 957 . 92 GLY HA2 H 3.41 . . 958 . 92 GLY C C 172.71 . . 959 . 93 ASP N N 121.50 . . 960 . 93 ASP H H 8.50 . . 961 . 93 ASP CA C 53.10 . . 962 . 93 ASP HA H 4.67 . . 963 . 93 ASP CB C 41.30 . . 964 . 93 ASP HB3 H 2.91 . . 965 . 93 ASP HB2 H 2.53 . . 966 . 93 ASP C C 176.32 . . 967 . 94 GLU N N 125.50 . . 968 . 94 GLU H H 9.99 . . 969 . 94 GLU CA C 61.60 . . 970 . 94 GLU HA H 3.99 . . 971 . 94 GLU CB C 30.00 . . 972 . 94 GLU HB3 H 1.97 . . 973 . 94 GLU CG C 37.60 . . 974 . 94 GLU HG3 H 2.60 . . 975 . 94 GLU C C 178.83 . . 976 . 95 LEU N N 118.30 . . 977 . 95 LEU H H 8.25 . . 978 . 95 LEU CA C 58.00 . . 979 . 95 LEU HA H 4.27 . . 980 . 95 LEU CB C 40.90 . . 981 . 95 LEU HB2 H 1.98 . . 982 . 95 LEU HB3 H 1.70 . . 983 . 95 LEU CG C 27.70 . . 984 . 95 LEU HG H 1.71 . . 985 . 95 LEU CD1 C 24.60 . . 986 . 95 LEU HD1 H 1.03 . . 987 . 95 LEU CD2 C 23.80 . . 988 . 95 LEU HD2 H 0.95 . . 989 . 95 LEU C C 180.09 . . 990 . 96 GLN N N 121.60 . . 991 . 96 GLN H H 7.81 . . 992 . 96 GLN CA C 58.40 . . 993 . 96 GLN HA H 4.19 . . 994 . 96 GLN CB C 27.90 . . 995 . 96 GLN HB3 H 2.27 . . 996 . 96 GLN HB2 H 2.20 . . 997 . 96 GLN CG C 33.70 . . 998 . 96 GLN HG3 H 2.49 . . 999 . 96 GLN HG2 H 2.46 . . 1000 . 96 GLN C C 179.47 . . 1001 . 97 ASN N N 120.80 . . 1002 . 97 ASN H H 8.79 . . 1003 . 97 ASN CA C 55.90 . . 1004 . 97 ASN HA H 4.45 . . 1005 . 97 ASN CB C 37.70 . . 1006 . 97 ASN HB2 H 3.14 . . 1007 . 97 ASN HB3 H 2.83 . . 1008 . 97 ASN C C 177.07 . . 1009 . 98 PHE N N 120.70 . . 1010 . 98 PHE H H 8.50 . . 1011 . 98 PHE CA C 61.20 . . 1012 . 98 PHE HA H 3.97 . . 1013 . 98 PHE CB C 39.00 . . 1014 . 98 PHE HB3 H 3.29 . . 1015 . 98 PHE HB2 H 3.16 . . 1016 . 98 PHE CD1 C 131.50 . . 1017 . 98 PHE HD1 H 7.04 . . 1018 . 98 PHE CE1 C 129.20 . . 1019 . 98 PHE HE1 H 7.25 . . 1020 . 98 PHE CZ C 130.70 . . 1021 . 98 PHE HZ H 7.02 . . 1022 . 98 PHE C C 175.71 . . 1023 . 99 LYS N N 119.30 . . 1024 . 99 LYS H H 7.58 . . 1025 . 99 LYS CA C 59.90 . . 1026 . 99 LYS HA H 3.67 . . 1027 . 99 LYS CB C 31.80 . . 1028 . 99 LYS HB2 H 2.02 . . 1029 . 99 LYS HB3 H 1.96 . . 1030 . 99 LYS CG C 25.40 . . 1031 . 99 LYS HG3 H 1.73 . . 1032 . 99 LYS HG2 H 1.45 . . 1033 . 99 LYS CD C 29.50 . . 1034 . 99 LYS HD3 H 1.72 . . 1035 . 99 LYS CE C 42.10 . . 1036 . 99 LYS HE3 H 3.02 . . 1037 . 99 LYS C C 179.24 . . 1038 . 100 LEU N N 119.80 . . 1039 . 100 LEU H H 7.70 . . 1040 . 100 LEU CA C 57.40 . . 1041 . 100 LEU HA H 4.17 . . 1042 . 100 LEU CB C 41.80 . . 1043 . 100 LEU HB3 H 1.89 . . 1044 . 100 LEU HB2 H 1.99 . . 1045 . 100 LEU CG C 27.20 . . 1046 . 100 LEU HG H 1.76 . . 1047 . 100 LEU CD1 C 23.90 . . 1048 . 100 LEU HD1 H 0.91 . . 1049 . 100 LEU CD2 C 23.60 . . 1050 . 100 LEU HD2 H 0.95 . . 1051 . 100 LEU C C 179.45 . . 1052 . 101 MET N N 125.70 . . 1053 . 101 MET H H 8.41 . . 1054 . 101 MET CA C 59.90 . . 1055 . 101 MET HA H 2.78 . . 1056 . 101 MET CB C 32.30 . . 1057 . 101 MET HB2 H 1.67 . . 1058 . 101 MET HB3 H 0.87 . . 1059 . 101 MET CG C 2.30 . . 1060 . 101 MET HG3 H 1.73 . . 1061 . 101 MET HG2 H 1.34 . . 1062 . 101 MET CE C 18.20 . . 1063 . 101 MET HE H 1.83 . . 1064 . 101 MET C C 177.03 . . 1065 . 102 LEU N N 120.00 . . 1066 . 102 LEU H H 8.00 . . 1067 . 102 LEU CA C 57.70 . . 1068 . 102 LEU HA H 3.76 . . 1069 . 102 LEU CB C 41.60 . . 1070 . 102 LEU HB3 H 1.56 . . 1071 . 102 LEU HB2 H 0.76 . . 1072 . 102 LEU CG C 26.80 . . 1073 . 102 LEU HG H 1.38 . . 1074 . 102 LEU CD1 C 26.10 . . 1075 . 102 LEU HD2 H 0.83 . . 1076 . 102 LEU CD2 C 23.00 . . 1077 . 102 LEU HD1 H 0.82 . . 1078 . 102 LEU C C 178.25 . . 1079 . 103 GLN N N 117.00 . . 1080 . 103 GLN H H 7.97 . . 1081 . 103 GLN CA C 58.90 . . 1082 . 103 GLN HA H 3.99 . . 1083 . 103 GLN CB C 28.70 . . 1084 . 103 GLN HB2 H 2.18 . . 1085 . 103 GLN HB3 H 2.06 . . 1086 . 103 GLN CG C 34.20 . . 1087 . 103 GLN HG3 H 2.48 . . 1088 . 103 GLN HG2 H 2.27 . . 1089 . 104 SER N N 116.40 . . 1090 . 104 SER H H 8.28 . . 1091 . 104 SER CA C 63.00 . . 1092 . 104 SER HA H 4.36 . . 1093 . 104 SER CB C 63.00 . . 1094 . 104 SER HB3 H 3.93 . . 1095 . 104 SER HB2 H 4.27 . . 1096 . 104 SER C C 174.83 . . 1097 . 105 ALA N N 124.20 . . 1098 . 105 ALA H H 8.46 . . 1099 . 105 ALA CA C 55.40 . . 1100 . 105 ALA HA H 3.67 . . 1101 . 105 ALA CB C 18.20 . . 1102 . 105 ALA HB H 1.30 . . 1103 . 105 ALA C C 178.38 . . 1104 . 106 GLN N N 115.40 . . 1105 . 106 GLN H H 8.41 . . 1106 . 106 GLN CA C 58.30 . . 1107 . 106 GLN HA H 3.75 . . 1108 . 106 GLN CB C 28.60 . . 1109 . 106 GLN HB2 H 2.18 . . 1110 . 106 GLN HB3 H 2.04 . . 1111 . 106 GLN CG C 33.90 . . 1112 . 106 GLN HG3 H 2.48 . . 1113 . 106 GLN HG2 H 2.33 . . 1114 . 106 GLN C C 177.86 . . 1115 . 107 HIS N N 117.40 . . 1116 . 107 HIS H H 8.34 . . 1117 . 107 HIS CA C 58.90 . . 1118 . 107 HIS HA H 4.42 . . 1119 . 107 HIS CB C 28.50 . . 1120 . 107 HIS HB3 H 3.41 . . 1121 . 107 HIS CD2 C 119.00 . . 1122 . 107 HIS HD2 H 7.22 . . 1123 . 107 HIS C C 177.35 . . 1124 . 108 ILE N N 118.40 . . 1125 . 108 ILE H H 8.20 . . 1126 . 108 ILE CA C 65.40 . . 1127 . 108 ILE HA H 3.66 . . 1128 . 108 ILE CB C 38.40 . . 1129 . 108 ILE HB H 1.67 . . 1130 . 108 ILE CG1 C 28.50 . . 1131 . 108 ILE HG13 H 1.90 . . 1132 . 108 ILE CG2 C 16.30 . . 1133 . 108 ILE HG2 H 0.64 . . 1134 . 108 ILE CD1 C 14.60 . . 1135 . 108 ILE HD1 H 0.56 . . 1136 . 108 ILE C C 177.39 . . 1137 . 109 ALA N N 119.60 . . 1138 . 109 ALA H H 8.40 . . 1139 . 109 ALA CA C 56.20 . . 1140 . 109 ALA HA H 3.45 . . 1141 . 109 ALA CB C 18.10 . . 1142 . 109 ALA HB H 1.27 . . 1143 . 109 ALA C C 179.49 . . 1144 . 110 ASP N N 116.80 . . 1145 . 110 ASP H H 8.43 . . 1146 . 110 ASP CA C 57.10 . . 1147 . 110 ASP HA H 4.39 . . 1148 . 110 ASP CB C 40.40 . . 1149 . 110 ASP HB2 H 2.85 . . 1150 . 110 ASP HB3 H 2.70 . . 1151 . 110 ASP C C 178.95 . . 1152 . 111 GLU N N 119.10 . . 1153 . 111 GLU H H 7.89 . . 1154 . 111 GLU CA C 59.00 . . 1155 . 111 GLU HA H 4.06 . . 1156 . 111 GLU CB C 29.70 . . 1157 . 111 GLU HB2 H 2.14 . . 1158 . 111 GLU HB3 H 2.03 . . 1159 . 111 GLU CG C 36.10 . . 1160 . 111 GLU HG3 H 2.36 . . 1161 . 111 GLU HG2 H 2.21 . . 1162 . 111 GLU C C 178.89 . . 1163 . 112 VAL N N 108.80 . . 1164 . 112 VAL H H 8.16 . . 1165 . 112 VAL CA C 60.40 . . 1166 . 112 VAL HA H 4.47 . . 1167 . 112 VAL CB C 32.30 . . 1168 . 112 VAL HB H 2.42 . . 1169 . 112 VAL CG2 C 19.60 . . 1170 . 112 VAL HG2 H 0.87 . . 1171 . 112 VAL CG1 C 21.10 . . 1172 . 112 VAL HG1 H 0.90 . . 1173 . 112 VAL C C 175.71 . . 1174 . 113 GLY N N 110.50 . . 1175 . 113 GLY H H 7.66 . . 1176 . 113 GLY CA C 46.60 . . 1177 . 113 GLY HA3 H 3.90 . . 1178 . 113 GLY HA2 H 4.06 . . 1179 . 113 GLY C C 175.24 . . 1180 . 114 GLY N N 107.30 . . 1181 . 114 GLY H H 8.77 . . 1182 . 114 GLY CA C 42.90 . . 1183 . 114 GLY HA3 H 4.63 . . 1184 . 114 GLY HA2 H 3.15 . . 1185 . 114 GLY C C 175.99 . . 1186 . 115 VAL N N 115.30 . . 1187 . 115 VAL H H 9.00 . . 1188 . 115 VAL CA C 59.60 . . 1189 . 115 VAL HA H 4.55 . . 1190 . 115 VAL CB C 35.60 . . 1191 . 115 VAL HB H 1.87 . . 1192 . 115 VAL CG1 C 21.40 . . 1193 . 115 VAL HG1 H 0.70 . . 1194 . 115 VAL CG2 C 19.30 . . 1195 . 115 VAL HG2 H 0.65 . . 1196 . 115 VAL C C 175.38 . . 1197 . 116 VAL N N 123.50 . . 1198 . 116 VAL H H 8.42 . . 1199 . 116 VAL CA C 62.70 . . 1200 . 116 VAL HA H 4.60 . . 1201 . 116 VAL CB C 31.50 . . 1202 . 116 VAL HB H 2.04 . . 1203 . 116 VAL CG1 C 21.90 . . 1204 . 116 VAL HG1 H 0.85 . . 1205 . 116 VAL CG2 C 22.30 . . 1206 . 116 VAL HG2 H 0.76 . . 1207 . 116 VAL C C 175.12 . . 1208 . 117 LEU N N 126.40 . . 1209 . 117 LEU H H 9.36 . . 1210 . 117 LEU CA C 51.70 . . 1211 . 117 LEU HA H 5.16 . . 1212 . 117 LEU CB C 46.70 . . 1213 . 117 LEU HB2 H 1.59 . . 1214 . 117 LEU HB3 H 1.31 . . 1215 . 117 LEU CG C 26.30 . . 1216 . 117 LEU HG H 1.55 . . 1217 . 117 LEU CD1 C 26.30 . . 1218 . 117 LEU HD1 H 0.66 . . 1219 . 117 LEU CD2 C 22.10 . . 1220 . 117 LEU HD2 H 0.63 . . 1221 . 117 LEU C C 176.44 . . 1222 . 118 ASP N N 119.50 . . 1223 . 118 ASP H H 9.27 . . 1224 . 118 ASP CA C 52.30 . . 1225 . 118 ASP HA H 4.93 . . 1226 . 118 ASP CB C 42.50 . . 1227 . 118 ASP HB3 H 3.39 . . 1228 . 118 ASP HB2 H 2.98 . . 1229 . 118 ASP C C 177.46 . . 1230 . 119 ASP N N 116.00 . . 1231 . 119 ASP H H 8.57 . . 1232 . 119 ASP CA C 56.00 . . 1233 . 119 ASP HA H 4.02 . . 1234 . 119 ASP CB C 39.60 . . 1235 . 119 ASP HB2 H 3.27 . . 1236 . 119 ASP HB3 H 2.83 . . 1237 . 119 ASP C C 176.98 . . 1238 . 120 GLN N N 121.10 . . 1239 . 120 GLN H H 8.59 . . 1240 . 120 GLN CA C 54.50 . . 1241 . 120 GLN HA H 4.43 . . 1242 . 120 GLN CB C 28.80 . . 1243 . 120 GLN HB3 H 2.37 . . 1244 . 120 GLN HB2 H 1.88 . . 1245 . 120 GLN CG C 33.90 . . 1246 . 120 GLN HG3 H 2.29 . . 1247 . 120 GLN C C 174.66 . . 1248 . 121 ARG N N 111.90 . . 1249 . 121 ARG H H 8.18 . . 1250 . 121 ARG CA C 58.20 . . 1251 . 121 ARG HA H 3.54 . . 1252 . 121 ARG CB C 25.70 . . 1253 . 121 ARG HB2 H 2.17 . . 1254 . 121 ARG HB3 H 1.97 . . 1255 . 121 ARG CG C 28.20 . . 1256 . 121 ARG HG3 H 1.58 . . 1257 . 121 ARG HG2 H 1.26 . . 1258 . 121 ARG CD C 43.20 . . 1259 . 121 ARG HD3 H 3.10 . . 1260 . 121 ARG C C 174.09 . . 1261 . 122 ARG N N 119.10 . . 1262 . 122 ARG H H 8.54 . . 1263 . 122 ARG CA C 54.20 . . 1264 . 122 ARG HA H 4.66 . . 1265 . 122 ARG CB C 31.20 . . 1266 . 122 ARG HB2 H 2.10 . . 1267 . 122 ARG HB3 H 1.83 . . 1268 . 122 ARG CG C 27.20 . . 1269 . 122 ARG HG3 H 1.64 . . 1270 . 122 ARG CD C 43.20 . . 1271 . 122 ARG HD3 H 3.22 . . 1272 . 122 ARG C C 176.81 . . 1273 . 123 MET N N 121.40 . . 1274 . 123 MET H H 8.68 . . 1275 . 123 MET CA C 57.00 . . 1276 . 123 MET HA H 4.23 . . 1277 . 123 MET CB C 32.10 . . 1278 . 123 MET HB3 H 2.07 . . 1279 . 123 MET HB2 H 2.04 . . 1280 . 123 MET CG C 32.00 . . 1281 . 123 MET HG3 H 2.71 . . 1282 . 123 MET HG2 H 2.61 . . 1283 . 123 MET C C 177.65 . . 1284 . 124 MET N N 125.00 . . 1285 . 124 MET H H 8.19 . . 1286 . 124 MET CA C 55.90 . . 1287 . 124 MET HA H 4.57 . . 1288 . 124 MET CB C 31.40 . . 1289 . 124 MET HB2 H 2.09 . . 1290 . 124 MET HB3 H 1.85 . . 1291 . 124 MET CG C 32.10 . . 1292 . 124 MET HG3 H 2.54 . . 1293 . 124 MET CE C 16.90 . . 1294 . 124 MET HE H 2.11 . . 1295 . 124 MET C C 175.27 . . 1296 . 125 THR N N 114.90 . . 1297 . 125 THR H H 7.01 . . 1298 . 125 THR CA C 58.40 . . 1299 . 125 THR HA H 5.04 . . 1300 . 125 THR CB C 70.60 . . 1301 . 125 THR HB H 4.67 . . 1302 . 125 THR CG2 C 21.60 . . 1303 . 125 THR HG2 H 1.33 . . 1304 . 126 PRO CA C 65.10 . . 1305 . 126 PRO HA H 4.29 . . 1306 . 126 PRO CB C 31.90 . . 1307 . 126 PRO HB3 H 2.48 . . 1308 . 126 PRO HB2 H 1.98 . . 1309 . 126 PRO CG C 27.90 . . 1310 . 126 PRO HG3 H 2.24 . . 1311 . 126 PRO HG2 H 2.08 . . 1312 . 126 PRO CD C 50.70 . . 1313 . 126 PRO HD3 H 3.92 . . 1314 . 126 PRO C C 179.63 . . 1315 . 127 GLN N N 117.30 . . 1316 . 127 GLN H H 8.38 . . 1317 . 127 GLN CA C 59.40 . . 1318 . 127 GLN HA H 4.02 . . 1319 . 127 GLN CB C 27.40 . . 1320 . 127 GLN HB2 H 2.18 . . 1321 . 127 GLN HB3 H 1.98 . . 1322 . 127 GLN CG C 33.80 . . 1323 . 127 GLN HG3 H 2.54 . . 1324 . 127 GLN HG2 H 2.43 . . 1325 . 127 GLN C C 178.03 . . 1326 . 128 LYS N N 123.60 . . 1327 . 128 LYS H H 7.90 . . 1328 . 128 LYS CA C 56.80 . . 1329 . 128 LYS HA H 4.09 . . 1330 . 128 LYS CB C 31.10 . . 1331 . 128 LYS HB2 H 2.15 . . 1332 . 128 LYS HB3 H 1.84 . . 1333 . 128 LYS CG C 22.00 . . 1334 . 128 LYS HG3 H 1.01 . . 1335 . 128 LYS HG2 H 0.66 . . 1336 . 128 LYS CD C 26.10 . . 1337 . 128 LYS HD3 H 1.90 . . 1338 . 128 LYS HD2 H 1.37 . . 1339 . 128 LYS CE C 40.50 . . 1340 . 128 LYS HE3 H 3.68 . . 1341 . 128 LYS C C 179.91 . . 1342 . 129 LEU N N 117.70 . . 1343 . 129 LEU H H 7.79 . . 1344 . 129 LEU CA C 58.70 . . 1345 . 129 LEU HA H 4.29 . . 1346 . 129 LEU CB C 41.60 . . 1347 . 129 LEU HB2 H 2.06 . . 1348 . 129 LEU HB3 H 1.60 . . 1349 . 129 LEU CG C 26.90 . . 1350 . 129 LEU HG H 1.97 . . 1351 . 129 LEU CD1 C 25.80 . . 1352 . 129 LEU HD1 H 0.99 . . 1353 . 129 LEU CD2 C 24.90 . . 1354 . 129 LEU HD2 H 1.15 . . 1355 . 129 LEU C C 180.02 . . 1356 . 130 ARG N N 118.90 . . 1357 . 130 ARG H H 7.70 . . 1358 . 130 ARG CA C 59.10 . . 1359 . 130 ARG HA H 4.09 . . 1360 . 130 ARG CB C 29.50 . . 1361 . 130 ARG HB3 H 2.04 . . 1362 . 130 ARG HB2 H 1.97 . . 1363 . 130 ARG CG C 27.50 . . 1364 . 130 ARG HG3 H 1.77 . . 1365 . 130 ARG HG2 H 1.70 . . 1366 . 130 ARG CD C 43.20 . . 1367 . 130 ARG HD3 H 3.25 . . 1368 . 130 ARG C C 177.95 . . 1369 . 131 GLU N N 121.60 . . 1370 . 131 GLU H H 7.97 . . 1371 . 131 GLU CA C 59.70 . . 1372 . 131 GLU HA H 4.10 . . 1373 . 131 GLU CB C 29.30 . . 1374 . 131 GLU HB3 H 2.20 . . 1375 . 131 GLU CG C 36.30 . . 1376 . 131 GLU HG3 H 2.49 . . 1377 . 131 GLU C C 179.77 . . 1378 . 132 TYR N N 117.40 . . 1379 . 132 TYR H H 8.58 . . 1380 . 132 TYR CA C 59.40 . . 1381 . 132 TYR HA H 4.35 . . 1382 . 132 TYR CB C 38.60 . . 1383 . 132 TYR HB2 H 3.19 . . 1384 . 132 TYR HB3 H 2.51 . . 1385 . 132 TYR CD1 C 131.80 . . 1386 . 132 TYR HD1 H 7.25 . . 1387 . 132 TYR CE1 C 120.50 . . 1388 . 132 TYR HE1 H 7.04 . . 1389 . 132 TYR C C 178.23 . . 1390 . 133 GLN N N 116.30 . . 1391 . 133 GLN H H 7.57 . . 1392 . 133 GLN CA C 59.70 . . 1393 . 133 GLN HA H 3.48 . . 1394 . 133 GLN CB C 28.90 . . 1395 . 133 GLN HB2 H 2.22 . . 1396 . 133 GLN HB3 H 2.03 . . 1397 . 133 GLN CG C 36.00 . . 1398 . 133 GLN HG3 H 2.28 . . 1399 . 133 GLN HG2 H 1.77 . . 1400 . 133 GLN C C 177.77 . . 1401 . 134 ASP N N 121.50 . . 1402 . 134 ASP H H 8.60 . . 1403 . 134 ASP CA C 57.50 . . 1404 . 134 ASP HA H 4.45 . . 1405 . 134 ASP CB C 39.80 . . 1406 . 134 ASP HB2 H 2.97 . . 1407 . 134 ASP HB3 H 2.68 . . 1408 . 134 ASP C C 179.28 . . 1409 . 135 ILE N N 123.20 . . 1410 . 135 ILE H H 8.18 . . 1411 . 135 ILE CA C 65.50 . . 1412 . 135 ILE HA H 3.72 . . 1413 . 135 ILE CB C 37.80 . . 1414 . 135 ILE HB H 2.06 . . 1415 . 135 ILE CG1 C 29.20 . . 1416 . 135 ILE HG13 H 1.90 . . 1417 . 135 ILE HG12 H 1.00 . . 1418 . 135 ILE CG2 C 17.20 . . 1419 . 135 ILE HG2 H 0.70 . . 1420 . 135 ILE CD1 C 13.60 . . 1421 . 135 ILE HD1 H 0.93 . . 1422 . 135 ILE C C 177.56 . . 1423 . 136 ILE N N 118.80 . . 1424 . 136 ILE H H 7.73 . . 1425 . 136 ILE CA C 66.50 . . 1426 . 136 ILE HA H 3.31 . . 1427 . 136 ILE CB C 37.80 . . 1428 . 136 ILE HB H 1.88 . . 1429 . 136 ILE CG1 C 29.90 . . 1430 . 136 ILE HG13 H 1.90 . . 1431 . 136 ILE HG12 H 0.70 . . 1432 . 136 ILE CG2 C 18.30 . . 1433 . 136 ILE HG2 H 0.77 . . 1434 . 136 ILE CD1 C 14.50 . . 1435 . 136 ILE HD1 H 0.56 . . 1436 . 136 ILE C C 177.49 . . 1437 . 137 ARG N N 118.30 . . 1438 . 137 ARG H H 8.17 . . 1439 . 137 ARG CA C 60.00 . . 1440 . 137 ARG HA H 3.88 . . 1441 . 137 ARG CB C 30.30 . . 1442 . 137 ARG HB3 H 1.98 . . 1443 . 137 ARG CG C 28.30 . . 1444 . 137 ARG HG3 H 1.84 . . 1445 . 137 ARG HG2 H 1.69 . . 1446 . 137 ARG CD C 43.20 . . 1447 . 137 ARG HD3 H 3.27 . . 1448 . 137 ARG C C 177.95 . . 1449 . 138 GLU N N 120.20 . . 1450 . 138 GLU H H 8.19 . . 1451 . 138 GLU CA C 59.60 . . 1452 . 138 GLU HA H 4.05 . . 1453 . 138 GLU CB C 29.50 . . 1454 . 138 GLU HB3 H 2.24 . . 1455 . 138 GLU CG C 36.10 . . 1456 . 138 GLU HG3 H 2.45 . . 1457 . 138 GLU HG2 H 2.25 . . 1458 . 138 GLU C C 179.00 . . 1459 . 139 VAL N N 119.50 . . 1460 . 139 VAL H H 8.20 . . 1461 . 139 VAL CA C 65.40 . . 1462 . 139 VAL HA H 3.93 . . 1463 . 139 VAL CB C 31.30 . . 1464 . 139 VAL HB H 2.00 . . 1465 . 139 VAL CG1 C 22.20 . . 1466 . 139 VAL HG1 H 0.67 . . 1467 . 139 VAL CG2 C 22.60 . . 1468 . 139 VAL HG2 H 0.76 . . 1469 . 139 VAL C C 179.05 . . 1470 . 140 LYS N N 121.00 . . 1471 . 140 LYS H H 8.35 . . 1472 . 140 LYS CA C 59.20 . . 1473 . 140 LYS HA H 4.04 . . 1474 . 140 LYS CB C 31.10 . . 1475 . 140 LYS HB3 H 1.99 . . 1476 . 140 LYS HB2 H 1.89 . . 1477 . 140 LYS CG C 24.00 . . 1478 . 140 LYS HG3 H 1.68 . . 1479 . 140 LYS HG2 H 1.52 . . 1480 . 140 LYS CD C 28.40 . . 1481 . 140 LYS HD3 H 1.78 . . 1482 . 140 LYS HD2 H 1.64 . . 1483 . 140 LYS CE C 41.10 . . 1484 . 140 LYS HE3 H 3.12 . . 1485 . 140 LYS C C 179.82 . . 1486 . 141 ASP N N 120.10 . . 1487 . 141 ASP H H 8.35 . . 1488 . 141 ASP CA C 56.50 . . 1489 . 141 ASP HA H 4.47 . . 1490 . 141 ASP CB C 40.40 . . 1491 . 141 ASP HB3 H 2.83 . . 1492 . 141 ASP HB2 H 2.70 . . 1493 . 141 ASP C C 178.32 . . 1494 . 142 ALA N N 121.70 . . 1495 . 142 ALA H H 8.17 . . 1496 . 142 ALA CA C 53.80 . . 1497 . 142 ALA HA H 4.21 . . 1498 . 142 ALA CB C 19.60 . . 1499 . 142 ALA HB H 1.50 . . 1500 . 142 ALA C C 178.21 . . 1501 . 143 ASN N N 115.80 . . 1502 . 143 ASN H H 7.62 . . 1503 . 143 ASN CA C 53.50 . . 1504 . 143 ASN HA H 4.77 . . 1505 . 143 ASN CB C 40.70 . . 1506 . 143 ASN HB3 H 2.96 . . 1507 . 143 ASN HB2 H 2.65 . . 1508 . 143 ASN C C 173.43 . . 1509 . 144 ALA N N 129.40 . . 1510 . 144 ALA H H 7.41 . . 1511 . 144 ALA CA C 54.40 . . 1512 . 144 ALA HA H 4.13 . . 1513 . 144 ALA CB C 19.80 . . 1514 . 144 ALA HB H 1.46 . . stop_ save_