data_6803 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for the periplasmic signaling domain of FecA from Escherichia coli ; _BMRB_accession_number 6803 _BMRB_flat_file_name bmr6803.str _Entry_type original _Submission_date 2005-08-31 _Accession_date 2005-08-31 _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 Garcia-Herrero Alicia . . 2 Vogel Hans J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 556 "13C chemical shifts" 381 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-12-22 original author . stop_ _Original_release_date 2005-12-22 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Nuclear magnetic resonance solution structure of the periplasmic signalling domain of the TonB-dependent outer membrane transporter FecA from Escherichia coli ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16313612 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Garcia-Herrero Alicia . . 2 Vogel Hans J. . stop_ _Journal_abbreviation 'Mol. Microbiol.' _Journal_volume 58 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1226 _Page_last 1237 _Year 2005 _Details . loop_ _Keyword FecA 'iron uptake' 'Surface signaling' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'FecA N-terminal periplasmic signaling domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NTFecA $FecA_N-terminal_periplasmic_signaling_domain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'Iron(III) Dicitrate Transport Protein FecA' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FecA_N-terminal_periplasmic_signaling_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NTFecA _Molecular_mass 11138 _Mol_thiol_state 'not present' loop_ _Biological_function 'Iron(III) Dicitrate Transport Protein FecA' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; AQVNIAPGSLDKALNQYAAH SGFTLSVDASLTRGKQSNGL HGDYDVESGLQQLLDGSGLQ VKPLGNNSWTLEPAPAPKED ALTVVGDWLGDARENDLEHH HHHH ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLN 3 VAL 4 ASN 5 ILE 6 ALA 7 PRO 8 GLY 9 SER 10 LEU 11 ASP 12 LYS 13 ALA 14 LEU 15 ASN 16 GLN 17 TYR 18 ALA 19 ALA 20 HIS 21 SER 22 GLY 23 PHE 24 THR 25 LEU 26 SER 27 VAL 28 ASP 29 ALA 30 SER 31 LEU 32 THR 33 ARG 34 GLY 35 LYS 36 GLN 37 SER 38 ASN 39 GLY 40 LEU 41 HIS 42 GLY 43 ASP 44 TYR 45 ASP 46 VAL 47 GLU 48 SER 49 GLY 50 LEU 51 GLN 52 GLN 53 LEU 54 LEU 55 ASP 56 GLY 57 SER 58 GLY 59 LEU 60 GLN 61 VAL 62 LYS 63 PRO 64 LEU 65 GLY 66 ASN 67 ASN 68 SER 69 TRP 70 THR 71 LEU 72 GLU 73 PRO 74 ALA 75 PRO 76 ALA 77 PRO 78 LYS 79 GLU 80 ASP 81 ALA 82 LEU 83 THR 84 VAL 85 VAL 86 GLY 87 ASP 88 TRP 89 LEU 90 GLY 91 ASP 92 ALA 93 ARG 94 GLU 95 ASN 96 ASP 97 LEU 98 GLU 99 HIS 100 HIS 101 HIS 102 HIS 103 HIS 104 HIS 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 1KMO "Crystal Structure Of The Outer Membrane Transporter Feca" 96.15 774 97.00 98.00 5.07e-57 PDB 1KMP "Crystal Structure Of The Outer Membrane Transporter Feca Complexed With Ferric Citrate" 96.15 774 97.00 98.00 7.09e-57 PDB 1PNZ "Crystal Structure Of Ferric Citrate Transporter Feca In The Unliganded Form" 96.15 751 97.00 98.00 8.90e-57 PDB 1PO0 "Crystal Structure Of Ferric Citrate Transporter Feca In Complex With Iron-Free Citrate" 96.15 751 97.00 98.00 8.90e-57 PDB 1PO3 "Crystal Structure Of Ferric Citrate Transporter Feca In Complex With Ferric Citrate" 96.15 751 97.00 98.00 8.90e-57 PDB 1ZZV "Solution Nmr Structure Of The Periplasmic Signaling Domain Of The Outer Membrane Iron Transporter Feca From Escherichia Coli" 76.92 80 100.00 100.00 9.18e-49 PDB 2D1U "Solution Strcuture Of The Periplasmic Signaling Domain Of Feca From Escherichia Coli" 100.00 104 100.00 100.00 1.26e-67 DBJ BAE78282 "ferric citrate outer membrane transporter [Escherichia coli str. K-12 substr. W3110]" 96.15 774 97.00 98.00 5.07e-57 DBJ BAI28590 "putative ferric citrate outer membrane transporter fecA [Escherichia coli O26:H11 str. 11368]" 96.15 774 97.00 98.00 4.59e-57 DBJ BAJ46002 "FecA protein [Escherichia coli DH1]" 96.15 774 97.00 98.00 5.07e-57 EMBL CAQ34637 "outer membrane receptor; citrate-dependent iron transport, outer membrane receptor, subunit of Outer Membrane Ferric Citrate Tr" 96.15 774 97.00 98.00 4.42e-57 EMBL CAR06012 "ferric citrate outer membrane transporter; KpLE2 phage-like element [Escherichia coli S88]" 96.15 774 97.00 98.00 3.45e-57 EMBL CAR11109 "ferric citrate outer membrane transporter; KpLE2 phage-like element [Escherichia coli ED1a]" 96.15 774 97.00 98.00 4.78e-57 EMBL CAR15972 "ferric citrate outer membrane transporter; KpLE2 phage-like element [Escherichia coli UMN026]" 96.15 774 97.00 98.00 5.07e-57 EMBL CAR20866 "ferric citrate outer membrane transporter; KpLE2 phage-like element [Escherichia coli IAI39]" 96.15 774 97.00 98.00 4.29e-57 GB AAA23760 "iron dicitrate transport protein precursor [Escherichia coli]" 96.15 774 97.00 98.00 3.52e-57 GB AAA23768 "FecA, partial [Escherichia coli]" 96.15 428 97.00 98.00 5.18e-59 GB AAA97187 "CG Site No. 783 [Escherichia coli str. K-12 substr. MG1655]" 96.15 774 97.00 98.00 5.07e-57 GB AAC77247 "TonB-dependent outer membrane ferric citrate transporter and signal transducer; ferric citrate extracelluar receptor; FecR-inte" 96.15 774 97.00 98.00 5.07e-57 GB AAL08456 "FecA [Shigella flexneri 2a]" 96.15 774 97.00 98.00 4.00e-57 REF NP_418711 "TonB-dependent outer membrane ferric citrate transporter and signal transducer; ferric citrate extracelluar receptor; FecR-inte" 96.15 774 97.00 98.00 5.07e-57 REF WP_000188246 "MULTISPECIES: transporter [Enterobacteriaceae]" 96.15 774 97.00 98.00 4.29e-57 REF WP_000188247 "transporter [Escherichia coli]" 96.15 774 97.00 98.00 4.42e-57 REF WP_000188248 "MULTISPECIES: transporter [Enterobacteriaceae]" 96.15 774 97.00 98.00 4.24e-57 REF WP_000188249 "transporter [Escherichia coli]" 96.15 774 97.00 98.00 5.12e-57 SP P13036 "RecName: Full=Fe(3+) dicitrate transport protein FecA; AltName: Full=Iron(III) dicitrate transport protein FecA; Flags: Precurs" 96.15 774 97.00 98.00 5.07e-57 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $FecA_N-terminal_periplasmic_signaling_domain 'Escherichia coli' 562 Eubacteria 'Not applicable' Escherichia coli K12 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 $FecA_N-terminal_periplasmic_signaling_domain 'recombinant technology' 'Escherichia coli' . . . . 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 $FecA_N-terminal_periplasmic_signaling_domain 1 mM [U-15N] 'Sodium phosphate' 50 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FecA_N-terminal_periplasmic_signaling_domain 1 mM '[U-15N; U-13C]' 'Sodium Phosphate' 50 mM . stop_ save_ ############################# # NMR applied experiments # ############################# save_1D_Proton_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1D Proton' _Sample_label . save_ save_2D_Proton-Proton_NOESY_(D2O)_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D Proton-Proton NOESY (D2O)' _Sample_label . save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_CBCANH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_CCCONH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name CCCONH-TOCSY _Sample_label . save_ save_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_HCCCONH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCCONH-TOCSY _Sample_label . save_ save_3D_13C_separated_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C separated NOESY' _Sample_label . save_ save_3D_15N_separated_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N separated NOESY' _Sample_label . save_ save_Steady_State_15N_Heteronuclear_noe_14 _Saveframe_category NMR_applied_experiment _Experiment_name 'Steady State 15N Heteronuclear noe' _Sample_label . save_ save_T2_15N_15 _Saveframe_category NMR_applied_experiment _Experiment_name 'T2 15N' _Sample_label . save_ save_T2_15N_16 _Saveframe_category NMR_applied_experiment _Experiment_name 'T2 15N' _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 0.01 pH temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $citation_1 $citation_1 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $citation_1 $citation_1 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $citation_1 $citation_1 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1D Proton' '2D Proton-Proton NOESY (D2O)' '2D 1H-15N HSQC' HNCO HN(CA)CO CBCA(CO)NH CBCANH HCCH-TOCSY CCCONH-TOCSY HBHA(CO)NH HCCCONH-TOCSY '3D 13C separated NOESY' '3D 15N separated NOESY' 'Steady State 15N Heteronuclear noe' 'T2 15N' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name NTFecA _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ALA HA H 4.078 0.02 1 2 1 1 ALA HB H 1.575 0.02 1 3 1 1 ALA C C 173.908 0.2 1 4 1 1 ALA CA C 51.610 0.2 1 5 1 1 ALA CB C 18.9 0.2 1 6 2 2 GLN H H 8.855 0.02 1 7 2 2 GLN HA H 4.390 0.02 1 8 2 2 GLN HB2 H 1.960 0.02 1 9 2 2 GLN HB3 H 1.960 0.02 1 10 2 2 GLN HG2 H 2.280 0.02 1 11 2 2 GLN HG3 H 2.280 0.02 1 12 2 2 GLN HE21 H 6.760 0.02 2 13 2 2 GLN HE22 H 7.490 0.02 2 14 2 2 GLN C C 175.745 0.2 1 15 2 2 GLN CA C 57.14 0.2 1 16 2 2 GLN CB C 28.540 0.2 1 17 2 2 GLN CG C 33.234 0.2 1 18 2 2 GLN N N 121.900 0.2 1 19 2 2 GLN NE2 N 111.003 0.2 1 20 3 3 VAL H H 8.999 0.02 1 21 3 3 VAL HA H 4.330 0.02 1 22 3 3 VAL HB H 1.950 0.02 1 23 3 3 VAL HG1 H 0.810 0.02 2 24 3 3 VAL HG2 H 0.810 0.02 2 25 3 3 VAL C C 173.179 0.2 1 26 3 3 VAL CA C 60.88 0.2 1 27 3 3 VAL CB C 35.109 0.2 1 28 3 3 VAL CG1 C 21.51 0.2 1 29 3 3 VAL CG2 C 21.51 0.2 1 30 3 3 VAL N N 124.311 0.2 1 31 4 4 ASN H H 8.400 0.02 1 32 4 4 ASN HA H 5.200 0.02 1 33 4 4 ASN HB2 H 2.730 0.02 2 34 4 4 ASN HB3 H 2.530 0.02 2 35 4 4 ASN HD21 H 7.590 0.02 2 36 4 4 ASN HD22 H 6.860 0.02 2 37 4 4 ASN C C 173.196 0.2 1 38 4 4 ASN CA C 53.250 0.2 1 39 4 4 ASN CB C 40.260 0.2 1 40 4 4 ASN N N 123.670 0.2 1 41 4 4 ASN ND2 N 113.000 0.2 1 42 5 5 ILE H H 9.196 0.02 1 43 5 5 ILE HA H 4.200 0.02 1 44 5 5 ILE HB H 1.540 0.02 1 45 5 5 ILE HG12 H 1.160 0.02 9 46 5 5 ILE HG13 H 1.160 0.02 9 47 5 5 ILE HG2 H 0.940 0.02 4 48 5 5 ILE HD1 H 0.678 0.02 1 49 5 5 ILE C C 175.119 0.2 1 50 5 5 ILE CA C 59.010 0.2 1 51 5 5 ILE CB C 39.320 0.2 1 52 5 5 ILE CG1 C 27.609 0.2 2 53 5 5 ILE CG2 C 16.828 0.2 2 54 5 5 ILE CD1 C 11.200 0.2 1 55 5 5 ILE N N 125.929 0.2 1 56 6 6 ALA H H 8.644 0.02 1 57 6 6 ALA HA H 4.460 0.02 1 58 6 6 ALA HB H 1.380 0.02 1 59 6 6 ALA C C 174.558 0.2 1 60 6 6 ALA CA C 51.410 0.2 1 61 6 6 ALA CB C 17.294 0.2 1 62 6 6 ALA N N 131.88 0.2 1 63 7 7 PRO HA H 4.150 0.02 1 64 7 7 PRO HB2 H 2.132 0.02 2 65 7 7 PRO HB3 H 1.960 0.02 2 66 7 7 PRO HG2 H 1.940 0.02 1 67 7 7 PRO HG3 H 1.940 0.02 1 68 7 7 PRO HD2 H 3.760 0.02 2 69 7 7 PRO HD3 H 3.590 0.02 2 70 7 7 PRO C C 176.477 0.2 1 71 7 7 PRO CA C 62.730 0.2 1 72 7 7 PRO CB C 32.518 0.2 1 73 7 7 PRO CG C 27.138 0.2 1 74 7 7 PRO CD C 50.600 0.2 1 75 8 8 GLY H H 8.042 0.02 1 76 8 8 GLY HA2 H 4.320 0.02 2 77 8 8 GLY HA3 H 3.900 0.02 2 78 8 8 GLY C C 172.256 0.2 1 79 8 8 GLY CA C 45.117 0.2 1 80 8 8 GLY N N 107.637 0.2 1 81 9 9 SER H H 8.640 0.02 1 82 9 9 SER HA H 4.360 0.02 1 83 9 9 SER HB2 H 4.170 0.02 2 84 9 9 SER HB3 H 3.990 0.02 2 85 9 9 SER HG H 5.690 0.02 1 86 9 9 SER C C 175.192 0.2 1 87 9 9 SER CA C 59.015 0.2 1 88 9 9 SER CB C 63.700 0.2 1 89 9 9 SER N N 117.690 0.2 1 90 10 10 LEU H H 8.635 0.02 1 91 10 10 LEU HA H 4.025 0.02 1 92 10 10 LEU HB2 H 1.700 0.02 2 93 10 10 LEU HB3 H 1.050 0.02 2 94 10 10 LEU HG H 1.390 0.02 1 95 10 10 LEU HD1 H 0.810 0.02 4 96 10 10 LEU HD2 H 0.810 0.02 4 97 10 10 LEU C C 177.220 0.2 1 98 10 10 LEU CA C 58.070 0.2 1 99 10 10 LEU CB C 41.600 0.2 1 100 10 10 LEU CG C 26.260 0.2 1 101 10 10 LEU CD1 C 23.388 0.2 1 102 10 10 LEU CD2 C 23.388 0.2 1 103 10 10 LEU N N 126.120 0.2 1 104 11 11 ASP H H 8.887 0.02 1 105 11 11 ASP HA H 4.030 0.02 1 106 11 11 ASP HB2 H 2.610 0.02 2 107 11 11 ASP HB3 H 2.506 0.02 2 108 11 11 ASP C C 178.090 0.2 1 109 11 11 ASP CA C 57.616 0.2 1 110 11 11 ASP CB C 40.260 0.2 1 111 11 11 ASP N N 117.290 0.2 1 112 12 12 LYS H H 7.725 0.02 1 113 12 12 LYS HA H 4.009 0.02 1 114 12 12 LYS HB2 H 1.830 0.02 1 115 12 12 LYS HB3 H 1.830 0.02 1 116 12 12 LYS HG2 H 1.350 0.02 1 117 12 12 LYS HG3 H 1.350 0.02 1 118 12 12 LYS HD2 H 2.170 0.02 1 119 12 12 LYS HD3 H 2.170 0.02 1 120 12 12 LYS HE2 H 2.900 0.02 1 121 12 12 LYS HE3 H 2.900 0.02 1 122 12 12 LYS HZ H 8.200 0.02 1 123 12 12 LYS C C 178.625 0.2 1 124 12 12 LYS CA C 58.540 0.2 1 125 12 12 LYS CB C 31.350 0.2 1 126 12 12 LYS CG C 24.794 0.2 1 127 12 12 LYS CD C 28.600 0.2 1 128 12 12 LYS CE C 34.400 0.2 1 129 12 12 LYS N N 120.450 0.2 1 130 13 13 ALA H H 8.000 0.02 1 131 13 13 ALA HA H 4.034 0.02 1 132 13 13 ALA HB H 1.310 0.02 1 133 13 13 ALA C C 179.768 0.2 1 134 13 13 ALA CA C 55.213 0.2 1 135 13 13 ALA CB C 18.231 0.2 1 136 13 13 ALA N N 122.840 0.2 1 137 14 14 LEU H H 8.609 0.02 1 138 14 14 LEU HA H 3.853 0.02 1 139 14 14 LEU HB2 H 1.910 0.02 2 140 14 14 LEU HB3 H 1.290 0.02 2 141 14 14 LEU HG H 0.930 0.02 1 142 14 14 LEU HD1 H 0.680 0.02 4 143 14 14 LEU HD2 H 0.590 0.02 2 144 14 14 LEU C C 178.748 0.2 1 145 14 14 LEU CA C 57.607 0.2 1 146 14 14 LEU CB C 41.636 0.2 1 147 14 14 LEU CG C 26.200 0.2 1 148 14 14 LEU CD1 C 22.451 0.2 2 149 14 14 LEU CD2 C 23.857 0.2 1 150 14 14 LEU N N 116.010 0.2 1 151 15 15 ASN H H 7.840 0.02 1 152 15 15 ASN HA H 4.336 0.02 1 153 15 15 ASN HB2 H 2.710 0.02 2 154 15 15 ASN HB3 H 2.860 0.02 2 155 15 15 ASN HD21 H 7.530 0.02 2 156 15 15 ASN HD22 H 6.910 0.02 2 157 15 15 ASN C C 178.825 0.2 1 158 15 15 ASN CA C 56.200 0.2 1 159 15 15 ASN CB C 38.500 0.2 1 160 15 15 ASN N N 116.670 0.2 1 161 15 15 ASN ND2 N 112.580 0.2 1 162 16 16 GLN H H 8.615 0.02 1 163 16 16 GLN HA H 4.060 0.02 1 164 16 16 GLN HB2 H 2.002 0.02 2 165 16 16 GLN HB3 H 2.320 0.02 2 166 16 16 GLN HG2 H 2.320 0.02 2 167 16 16 GLN HG3 H 2.638 0.02 2 168 16 16 GLN HE21 H 6.940 0.02 2 169 16 16 GLN HE22 H 7.412 0.02 2 170 16 16 GLN C C 178.986 0.2 1 171 16 16 GLN CA C 59.013 0.2 1 172 16 16 GLN CB C 28.509 0.2 1 173 16 16 GLN CG C 34.517 0.2 1 174 16 16 GLN N N 120.170 0.2 1 175 16 16 GLN NE2 N 110.755 0.2 1 176 17 17 TYR H H 8.570 0.02 1 177 17 17 TYR HA H 4.380 0.02 1 178 17 17 TYR HB2 H 2.952 0.02 2 179 17 17 TYR HB3 H 3.030 0.02 2 180 17 17 TYR HD1 H 7.050 0.02 3 181 17 17 TYR HD2 H 6.710 0.02 3 182 17 17 TYR HE1 H 6.890 0.02 3 183 17 17 TYR HE2 H 6.540 0.02 3 184 17 17 TYR C C 177.454 0.2 1 185 17 17 TYR CA C 59.950 0.2 1 186 17 17 TYR CB C 38.310 0.2 1 187 17 17 TYR N N 121.870 0.2 1 188 18 18 ALA H H 8.337 0.02 1 189 18 18 ALA HA H 2.150 0.02 1 190 18 18 ALA HB H 0.985 0.02 1 191 18 18 ALA C C 179.595 0.2 1 192 18 18 ALA CA C 17.294 0.2 1 193 18 18 ALA CB C 47.400 0.2 1 194 18 18 ALA N N 123.050 0.2 1 195 19 19 ALA H H 7.590 0.02 1 196 19 19 ALA HA H 4.033 0.02 1 197 19 19 ALA HB H 1.410 0.02 1 198 19 19 ALA C C 180.160 0.2 1 199 19 19 ALA CA C 54.350 0.2 1 200 19 19 ALA CB C 17.294 0.2 1 201 19 19 ALA N N 118.386 0.2 1 202 20 20 HIS H H 8.050 0.02 1 203 20 20 HIS HA H 4.260 0.02 1 204 20 20 HIS HB2 H 3.260 0.02 1 205 20 20 HIS HB3 H 3.260 0.02 1 206 20 20 HIS HD1 H 8.690 0.02 2 207 20 20 HIS HD2 H 6.880 0.02 3 208 20 20 HIS HE1 H 7.090 0.02 2 209 20 20 HIS HE2 H 9.614 0.02 2 210 20 20 HIS C C 177.425 0.2 1 211 20 20 HIS CA C 59.013 0.2 1 212 20 20 HIS CB C 30.880 0.2 1 213 20 20 HIS N N 116.540 0.2 1 214 21 21 SER H H 8.073 0.02 1 215 21 21 SER HA H 4.366 0.02 1 216 21 21 SER HB2 H 3.840 0.02 2 217 21 21 SER HB3 H 3.630 0.02 2 218 21 21 SER C C 174.793 0.2 1 219 21 21 SER CA C 59.482 0.2 1 220 21 21 SER CB C 64.638 0.2 1 221 21 21 SER N N 111.480 0.2 1 222 22 22 GLY H H 7.842 0.02 1 223 22 22 GLY HA2 H 4.008 0.02 2 224 22 22 GLY HA3 H 3.842 0.02 2 225 22 22 GLY C C 173.920 0.2 1 226 22 22 GLY CA C 47.150 0.2 1 227 22 22 GLY N N 109.514 0.2 1 228 23 23 PHE H H 7.288 0.02 1 229 23 23 PHE HA H 5.283 0.02 1 230 23 23 PHE HB2 H 2.970 0.02 2 231 23 23 PHE HB3 H 3.386 0.02 2 232 23 23 PHE HD1 H 6.760 0.02 3 233 23 23 PHE HD2 H 6.830 0.02 3 234 23 23 PHE HE1 H 6.540 0.02 1 235 23 23 PHE HE2 H 6.540 0.02 1 236 23 23 PHE HZ H 7.240 0.02 1 237 23 23 PHE C C 173.322 0.2 1 238 23 23 PHE CA C 54.794 0.2 1 239 23 23 PHE CB C 41.440 0.2 1 240 23 23 PHE N N 115.319 0.2 1 241 24 24 THR H H 8.536 0.02 1 242 24 24 THR HA H 4.540 0.02 1 243 24 24 THR HB H 4.225 0.02 1 244 24 24 THR HG2 H 1.209 0.02 1 245 24 24 THR C C 172.878 0.2 1 246 24 24 THR CA C 61.357 0.2 1 247 24 24 THR CB C 70.731 0.2 1 248 24 24 THR CG2 C 21.513 0.2 1 249 24 24 THR N N 114.168 0.2 1 250 25 25 LEU H H 8.863 0.02 1 251 25 25 LEU HA H 5.305 0.02 1 252 25 25 LEU HB2 H 1.700 0.02 2 253 25 25 LEU HB3 H 1.470 0.02 2 254 25 25 LEU HG H 1.480 0.02 1 255 25 25 LEU HD1 H 0.870 0.02 2 256 25 25 LEU HD2 H 0.820 0.02 2 257 25 25 LEU C C 175.455 0.2 1 258 25 25 LEU CA C 53.450 0.2 1 259 25 25 LEU CB C 45.780 0.2 1 260 25 25 LEU CG C 27.138 0.2 1 261 25 25 LEU CD1 C 24.794 0.2 1 262 25 25 LEU CD2 C 25.263 0.2 1 263 25 25 LEU N N 127.876 0.2 1 264 26 26 SER H H 8.620 0.02 1 265 26 26 SER HA H 4.810 0.02 1 266 26 26 SER HB2 H 3.830 0.02 2 267 26 26 SER HB3 H 3.690 0.02 2 268 26 26 SER C C 173.313 0.2 1 269 26 26 SER CA C 56.669 0.2 1 270 26 26 SER CB C 63.700 0.2 1 271 26 26 SER N N 121.280 0.2 1 272 27 27 VAL H H 8.706 0.02 1 273 27 27 VAL HA H 4.368 0.02 1 274 27 27 VAL HB H 2.017 0.02 1 275 27 27 VAL HG1 H 0.930 0.02 4 276 27 27 VAL HG2 H 0.810 0.02 2 277 27 27 VAL C C 173.786 0.2 1 278 27 27 VAL CA C 60.888 0.2 1 279 27 27 VAL CB C 34.547 0.2 1 280 27 27 VAL CG1 C 21.513 0.2 2 281 27 27 VAL CG2 C 22.451 0.2 1 282 27 27 VAL N N 125.590 0.2 1 283 28 28 ASP H H 8.274 0.02 1 284 28 28 ASP HA H 4.590 0.02 1 285 28 28 ASP HB2 H 2.660 0.02 1 286 28 28 ASP HB3 H 2.660 0.02 1 287 28 28 ASP C C 176.674 0.2 1 288 28 28 ASP CA C 53.800 0.2 1 289 28 28 ASP CB C 42.138 0.2 1 290 28 28 ASP N N 128.230 0.2 1 291 29 29 ALA H H 8.867 0.02 1 292 29 29 ALA HA H 4.160 0.02 1 293 29 29 ALA HB H 1.460 0.02 1 294 29 29 ALA C C 179.335 0.2 1 295 29 29 ALA CA C 54.411 0.2 1 296 29 29 ALA CB C 19.169 0.2 1 297 29 29 ALA N N 130.26 0.2 1 298 30 30 SER H H 8.665 0.02 1 299 30 30 SER HA H 3.910 0.02 1 300 30 30 SER HB2 H 3.990 0.02 1 301 30 30 SER HB3 H 3.990 0.02 1 302 30 30 SER C C 176.720 0.2 1 303 30 30 SER CA C 61.825 0.2 1 304 30 30 SER CB C 62.294 0.2 1 305 30 30 SER N N 112.760 0.2 1 306 31 31 LEU H H 8.050 0.02 1 307 31 31 LEU HA H 4.240 0.02 1 308 31 31 LEU HB2 H 1.510 0.02 2 309 31 31 LEU HB3 H 1.850 0.02 2 310 31 31 LEU HG H 1.700 0.02 1 311 31 31 LEU HD1 H 0.810 0.02 4 312 31 31 LEU HD2 H 0.810 0.02 4 313 31 31 LEU C C 178.142 0.2 1 314 31 31 LEU CA C 56.208 0.2 1 315 31 31 LEU CB C 42.290 0.2 1 316 31 31 LEU CG C 24.750 0.2 1 317 31 31 LEU CD1 C 22.916 0.2 1 318 31 31 LEU CD2 C 22.916 0.2 1 319 31 31 LEU N N 120.140 0.2 1 320 32 32 THR H H 7.136 0.02 1 321 32 32 THR HA H 4.047 0.02 1 322 32 32 THR HB H 4.100 0.02 1 323 32 32 THR HG2 H 0.800 0.02 1 324 32 32 THR C C 175.993 0.2 1 325 32 32 THR CA C 60.880 0.2 1 326 32 32 THR CB C 68.385 0.2 1 327 32 32 THR CG2 C 23.856 0.2 1 328 32 32 THR N N 125.830 0.2 1 329 33 33 ARG H H 7.345 0.02 1 330 33 33 ARG HA H 4.115 0.02 1 331 33 33 ARG HB2 H 1.940 0.02 2 332 33 33 ARG HB3 H 1.740 0.02 2 333 33 33 ARG HG2 H 1.550 0.02 2 334 33 33 ARG HG3 H 1.680 0.02 2 335 33 33 ARG HD2 H 3.180 0.02 1 336 33 33 ARG HD3 H 3.180 0.02 1 337 33 33 ARG HE H 7.220 0.02 1 338 33 33 ARG C C 177.322 0.2 1 339 33 33 ARG CA C 58.540 0.2 1 340 33 33 ARG CB C 30.420 0.2 1 341 33 33 ARG CG C 26.318 0.2 1 342 33 33 ARG CD C 43.900 0.2 1 343 33 33 ARG N N 125.250 0.2 1 344 33 33 ARG NE N 106.885 0.2 1 345 34 34 GLY H H 9.131 0.02 1 346 34 34 GLY HA2 H 4.142 0.02 2 347 34 34 GLY HA3 H 3.752 0.02 2 348 34 34 GLY C C 174.355 0.2 1 349 34 34 GLY CA C 46.200 0.2 1 350 34 34 GLY N N 114.271 0.2 1 351 35 35 LYS H H 7.666 0.02 1 352 35 35 LYS HA H 4.540 0.02 1 353 35 35 LYS HB2 H 1.800 0.02 1 354 35 35 LYS HB3 H 1.800 0.02 1 355 35 35 LYS HG2 H 1.340 0.02 1 356 35 35 LYS HG3 H 1.340 0.02 1 357 35 35 LYS HD2 H 1.670 0.02 1 358 35 35 LYS HD3 H 1.670 0.02 1 359 35 35 LYS HE2 H 3.110 0.02 1 360 35 35 LYS HE3 H 3.110 0.02 1 361 35 35 LYS HZ H 8.640 0.02 1 362 35 35 LYS C C 176.613 0.2 1 363 35 35 LYS CA C 55.732 0.2 1 364 35 35 LYS CB C 34.170 0.2 1 365 35 35 LYS CG C 24.800 0.2 1 366 35 35 LYS CD C 29.480 0.2 1 367 35 35 LYS CE C 43.070 0.2 1 368 35 35 LYS N N 118.850 0.2 1 369 36 36 GLN H H 9.130 0.02 1 370 36 36 GLN HA H 4.720 0.02 1 371 36 36 GLN HB2 H 2.130 0.02 2 372 36 36 GLN HB3 H 1.850 0.02 2 373 36 36 GLN HG2 H 2.270 0.02 1 374 36 36 GLN HG3 H 2.270 0.02 1 375 36 36 GLN HE21 H 7.226 0.02 2 376 36 36 GLN HE22 H 6.708 0.02 2 377 36 36 GLN C C 174.340 0.2 1 378 36 36 GLN CA C 54.232 0.2 1 379 36 36 GLN CB C 31.762 0.2 1 380 36 36 GLN CG C 33.672 0.2 1 381 36 36 GLN N N 122.299 0.2 1 382 36 36 GLN NE2 N 111.730 0.2 1 383 37 37 SER H H 8.950 0.02 1 384 37 37 SER HA H 4.915 0.02 1 385 37 37 SER HB2 H 3.212 0.02 2 386 37 37 SER HB3 H 3.708 0.02 2 387 37 37 SER HG H 5.700 0.02 1 388 37 37 SER C C 175.463 0.2 1 389 37 37 SER CA C 55.730 0.2 1 390 37 37 SER CB C 66.510 0.2 1 391 37 37 SER N N 112.672 0.2 1 392 38 38 ASN H H 8.990 0.02 1 393 38 38 ASN HA H 4.890 0.02 1 394 38 38 ASN HB2 H 2.950 0.02 2 395 38 38 ASN HB3 H 2.820 0.02 2 396 38 38 ASN HD21 H 7.756 0.02 2 397 38 38 ASN HD22 H 6.980 0.02 2 398 38 38 ASN C C 175.586 0.2 1 399 38 38 ASN CA C 53.380 0.2 1 400 38 38 ASN CB C 38.412 0.2 1 401 38 38 ASN N N 125.511 0.2 1 402 38 38 ASN ND2 N 113.640 0.2 1 403 39 39 GLY H H 8.435 0.02 1 404 39 39 GLY HA2 H 3.977 0.02 2 405 39 39 GLY HA3 H 2.801 0.02 2 406 39 39 GLY C C 171.604 0.2 1 407 39 39 GLY CA C 43.992 0.2 1 408 39 39 GLY N N 107.279 0.2 1 409 40 40 LEU H H 8.430 0.02 1 410 40 40 LEU HA H 4.279 0.02 1 411 40 40 LEU HB2 H 1.070 0.02 2 412 40 40 LEU HB3 H 0.930 0.02 2 413 40 40 LEU HG H 0.870 0.02 1 414 40 40 LEU HD1 H -0.040 0.02 4 415 40 40 LEU HD2 H 0.470 0.02 4 416 40 40 LEU C C 174.366 0.2 1 417 40 40 LEU CA C 54.650 0.2 1 418 40 40 LEU CB C 46.350 0.2 1 419 40 40 LEU CG C 26.200 0.2 1 420 40 40 LEU CD1 C 24.332 0.2 2 421 40 40 LEU CD2 C 24.326 0.2 2 422 40 40 LEU N N 119.080 0.2 1 423 41 41 HIS H H 9.059 0.02 1 424 41 41 HIS HA H 5.450 0.02 1 425 41 41 HIS HB2 H 3.230 0.02 2 426 41 41 HIS HB3 H 3.120 0.02 2 427 41 41 HIS HD1 H 6.500 0.02 3 428 41 41 HIS HD2 H 7.260 0.02 3 429 41 41 HIS HE1 H 8.917 0.02 3 430 41 41 HIS HE2 H 9.770 0.02 3 431 41 41 HIS C C 173.213 0.2 1 432 41 41 HIS CA C 54.790 0.2 1 433 41 41 HIS CB C 30.000 0.2 1 434 41 41 HIS N N 123.229 0.2 1 435 42 42 GLY H H 8.381 0.02 1 436 42 42 GLY HA2 H 4.270 0.02 2 437 42 42 GLY HA3 H 3.790 0.02 2 438 42 42 GLY C C 170.331 0.2 1 439 42 42 GLY CA C 44.959 0.2 1 440 42 42 GLY N N 111.881 0.2 1 441 43 43 ASP H H 8.090 0.02 1 442 43 43 ASP HA H 4.840 0.02 1 443 43 43 ASP HB2 H 2.570 0.02 2 444 43 43 ASP HB3 H 2.182 0.02 2 445 43 43 ASP C C 174.769 0.2 1 446 43 43 ASP CA C 52.900 0.2 1 447 43 43 ASP CB C 41.300 0.2 1 448 43 43 ASP N N 121.900 0.2 1 449 44 44 TYR H H 8.180 0.02 1 450 44 44 TYR HA H 4.720 0.02 1 451 44 44 TYR HB2 H 3.153 0.02 2 452 44 44 TYR HB3 H 2.323 0.02 2 453 44 44 TYR HD1 H 6.760 0.02 3 454 44 44 TYR HD2 H 6.610 0.02 3 455 44 44 TYR HE1 H 6.430 0.02 3 456 44 44 TYR HE2 H 6.920 0.02 2 457 44 44 TYR C C 176.926 0.2 1 458 44 44 TYR CA C 57.607 0.2 1 459 44 44 TYR CB C 43.027 0.2 1 460 44 44 TYR N N 121.370 0.2 1 461 45 45 ASP H H 8.082 0.02 1 462 45 45 ASP HA H 4.890 0.02 1 463 45 45 ASP HB2 H 2.980 0.02 2 464 45 45 ASP HB3 H 2.790 0.02 2 465 45 45 ASP C C 176.301 0.2 1 466 45 45 ASP CA C 52.767 0.2 1 467 45 45 ASP CB C 41.400 0.2 1 468 45 45 ASP N N 122.699 0.2 1 469 46 46 VAL H H 8.285 0.02 1 470 46 46 VAL HA H 3.673 0.02 1 471 46 46 VAL HB H 1.630 0.02 1 472 46 46 VAL HG1 H -0.411 0.02 4 473 46 46 VAL HG2 H 0.843 0.02 4 474 46 46 VAL C C 177.716 0.2 1 475 46 46 VAL CA C 66.982 0.2 1 476 46 46 VAL CB C 31.392 0.2 1 477 46 46 VAL CG1 C 19.638 0.2 2 478 46 46 VAL CG2 C 19.637 0.2 1 479 46 46 VAL N N 120.413 0.2 1 480 47 47 GLU H H 8.458 0.02 1 481 47 47 GLU HA H 3.250 0.02 1 482 47 47 GLU HB2 H 1.970 0.02 2 483 47 47 GLU HB3 H 2.040 0.02 2 484 47 47 GLU HG2 H 2.120 0.02 2 485 47 47 GLU HG3 H 2.110 0.02 2 486 47 47 GLU C C 178.723 0.2 1 487 47 47 GLU CA C 60.888 0.2 1 488 47 47 GLU CB C 29.530 0.2 1 489 47 47 GLU CG C 37.350 0.2 1 490 47 47 GLU N N 118.562 0.2 1 491 48 48 SER H H 8.220 0.02 1 492 48 48 SER HA H 4.170 0.02 1 493 48 48 SER HB2 H 4.000 0.02 1 494 48 48 SER HB3 H 4.000 0.02 1 495 48 48 SER C C 177.950 0.2 1 496 48 48 SER CA C 62.763 0.2 1 497 48 48 SER CB C 62.763 0.2 1 498 48 48 SER N N 114.617 0.2 1 499 49 49 GLY H H 8.860 0.02 1 500 49 49 GLY HA2 H 3.660 0.02 2 501 49 49 GLY HA3 H 3.010 0.02 2 502 49 49 GLY C C 175.160 0.2 1 503 49 49 GLY CA C 46.997 0.2 1 504 49 49 GLY N N 112.580 0.2 1 505 50 50 LEU H H 8.240 0.02 1 506 50 50 LEU HA H 3.649 0.02 1 507 50 50 LEU HB2 H 1.620 0.02 2 508 50 50 LEU HB3 H 1.360 0.02 2 509 50 50 LEU HG H 0.850 0.02 1 510 50 50 LEU HD1 H 0.600 0.02 4 511 50 50 LEU HD2 H -0.200 0.02 4 512 50 50 LEU C C 178.125 0.2 1 513 50 50 LEU CA C 57.607 0.2 1 514 50 50 LEU CB C 42.216 0.2 1 515 50 50 LEU CG C 27.140 0.2 1 516 50 50 LEU CD1 C 23.857 0.2 2 517 50 50 LEU CD2 C 24.794 0.2 2 518 50 50 LEU N N 121.574 0.2 1 519 51 51 GLN H H 7.820 0.02 1 520 51 51 GLN HA H 3.770 0.02 1 521 51 51 GLN HB2 H 2.050 0.02 2 522 51 51 GLN HB3 H 2.163 0.02 2 523 51 51 GLN HG2 H 2.370 0.02 2 524 51 51 GLN HG3 H 2.440 0.02 2 525 51 51 GLN HE21 H 7.440 0.02 2 526 51 51 GLN HE22 H 6.830 0.02 2 527 51 51 GLN C C 179.029 0.2 1 528 51 51 GLN CA C 59.482 0.2 1 529 51 51 GLN CB C 28.145 0.2 1 530 51 51 GLN CG C 33.825 0.2 1 531 51 51 GLN N N 115.750 0.2 1 532 51 51 GLN NE2 N 111.459 0.2 1 533 52 52 GLN H H 7.689 0.02 1 534 52 52 GLN HA H 4.010 0.02 1 535 52 52 GLN HB2 H 1.970 0.02 2 536 52 52 GLN HB3 H 1.700 0.02 2 537 52 52 GLN HG2 H 2.100 0.02 2 538 52 52 GLN HG3 H 2.240 0.02 2 539 52 52 GLN HE21 H 7.448 0.02 2 540 52 52 GLN HE22 H 6.814 0.02 2 541 52 52 GLN C C 179.496 0.2 1 542 52 52 GLN CA C 58.544 0.2 1 543 52 52 GLN CB C 27.600 0.2 1 544 52 52 GLN CG C 33.580 0.2 1 545 52 52 GLN N N 117.938 0.2 1 546 52 52 GLN NE2 N 113.460 0.2 1 547 53 53 LEU H H 8.195 0.02 1 548 53 53 LEU HA H 3.760 0.02 1 549 53 53 LEU HB2 H 1.780 0.02 2 550 53 53 LEU HB3 H 1.063 0.02 2 551 53 53 LEU HG H 1.330 0.02 1 552 53 53 LEU HD1 H 0.496 0.02 2 553 53 53 LEU HD2 H 0.380 0.02 4 554 53 53 LEU C C 179.044 0.2 1 555 53 53 LEU CA C 57.607 0.2 1 556 53 53 LEU CB C 42.514 0.2 1 557 53 53 LEU CG C 26.200 0.2 1 558 53 53 LEU CD1 C 24.326 0.2 1 559 53 53 LEU CD2 C 26.203 0.2 2 560 53 53 LEU N N 121.023 0.2 1 561 54 54 LEU H H 7.630 0.02 1 562 54 54 LEU HA H 4.120 0.02 1 563 54 54 LEU HB2 H 1.790 0.02 1 564 54 54 LEU HB3 H 1.790 0.02 1 565 54 54 LEU HG H 1.320 0.02 1 566 54 54 LEU HD1 H 0.680 0.02 4 567 54 54 LEU HD2 H 0.780 0.02 4 568 54 54 LEU C C 177.783 0.2 1 569 54 54 LEU CA C 54.400 0.2 1 570 54 54 LEU CB C 42.260 0.2 1 571 54 54 LEU CG C 26.590 0.2 1 572 54 54 LEU CD1 C 25.263 0.2 1 573 54 54 LEU CD2 C 23.857 0.2 2 574 54 54 LEU N N 114.519 0.2 1 575 55 55 ASP H H 7.443 0.02 1 576 55 55 ASP HA H 4.490 0.02 1 577 55 55 ASP HB2 H 2.750 0.02 2 578 55 55 ASP HB3 H 2.850 0.02 2 579 55 55 ASP C C 177.439 0.2 1 580 55 55 ASP CA C 57.138 0.2 1 581 55 55 ASP CB C 41.331 0.2 1 582 55 55 ASP N N 124.056 0.2 1 583 56 56 GLY H H 8.940 0.02 1 584 56 56 GLY HA2 H 4.340 0.02 2 585 56 56 GLY HA3 H 3.797 0.02 2 586 56 56 GLY C C 175.455 0.2 1 587 56 56 GLY CA C 45.906 0.2 1 588 56 56 GLY N N 116.507 0.2 1 589 57 57 SER H H 8.560 0.02 1 590 57 57 SER HA H 4.326 0.02 1 591 57 57 SER HB2 H 4.112 0.02 2 592 57 57 SER HB3 H 3.741 0.02 2 593 57 57 SER HG H 6.220 0.02 1 594 57 57 SER C C 175.849 0.2 1 595 57 57 SER CA C 60.419 0.2 1 596 57 57 SER CB C 66.044 0.2 1 597 57 57 SER N N 115.046 0.2 1 598 58 58 GLY H H 8.859 0.02 1 599 58 58 GLY HA2 H 4.240 0.02 2 600 58 58 GLY HA3 H 3.770 0.02 2 601 58 58 GLY C C 173.751 0.2 1 602 58 58 GLY CA C 46.005 0.2 1 603 58 58 GLY N N 111.513 0.2 1 604 59 59 LEU H H 8.080 0.02 1 605 59 59 LEU HA H 4.950 0.02 1 606 59 59 LEU HB2 H 1.930 0.02 2 607 59 59 LEU HB3 H 1.130 0.02 2 608 59 59 LEU HG H 1.090 0.02 1 609 59 59 LEU HD1 H 0.770 0.02 4 610 59 59 LEU HD2 H 0.770 0.02 4 611 59 59 LEU C C 175.105 0.2 1 612 59 59 LEU CA C 53.380 0.2 1 613 59 59 LEU CB C 44.879 0.2 1 614 59 59 LEU CG C 25.263 0.2 1 615 59 59 LEU CD1 C 23.388 0.2 1 616 59 59 LEU CD2 C 23.388 0.2 1 617 59 59 LEU N N 120.111 0.2 1 618 60 60 GLN H H 9.330 0.02 1 619 60 60 GLN HA H 4.920 0.02 1 620 60 60 GLN HB2 H 2.000 0.02 2 621 60 60 GLN HB3 H 1.880 0.02 2 622 60 60 GLN HG2 H 2.240 0.02 2 623 60 60 GLN HG3 H 2.100 0.02 2 624 60 60 GLN HE21 H 7.902 0.02 2 625 60 60 GLN HE22 H 6.820 0.02 2 626 60 60 GLN C C 173.984 0.2 1 627 60 60 GLN CA C 53.228 0.2 1 628 60 60 GLN CB C 32.089 0.2 1 629 60 60 GLN CG C 32.742 0.2 1 630 60 60 GLN N N 117.850 0.2 1 631 60 60 GLN NE2 N 111.867 0.2 1 632 61 61 VAL H H 8.510 0.02 1 633 61 61 VAL HA H 4.788 0.02 1 634 61 61 VAL HB H 1.990 0.02 1 635 61 61 VAL HG1 H 0.840 0.02 2 636 61 61 VAL HG2 H 0.660 0.02 2 637 61 61 VAL C C 175.159 0.2 1 638 61 61 VAL CA C 60.888 0.2 1 639 61 61 VAL CB C 33.766 0.2 1 640 61 61 VAL CG1 C 21.982 0.2 1 641 61 61 VAL CG2 C 25.263 0.2 1 642 61 61 VAL N N 117.859 0.2 1 643 62 62 LYS H H 8.779 0.02 1 644 62 62 LYS HA H 3.820 0.02 1 645 62 62 LYS HB2 H 1.670 0.02 2 646 62 62 LYS HB3 H 1.500 0.02 2 647 62 62 LYS HG2 H 1.160 0.02 2 648 62 62 LYS HG3 H 1.340 0.02 2 649 62 62 LYS HD2 H 1.570 0.02 1 650 62 62 LYS HD3 H 1.570 0.02 1 651 62 62 LYS HE2 H 2.800 0.02 1 652 62 62 LYS HE3 H 2.800 0.02 1 653 62 62 LYS CA C 51.550 0.2 1 654 62 62 LYS CB C 35.107 0.2 1 655 62 62 LYS CG C 24.326 0.2 1 656 62 62 LYS N N 125.417 0.2 1 657 63 63 PRO HA H 3.940 0.02 1 658 63 63 PRO HB2 H 1.550 0.02 1 659 63 63 PRO HB3 H 1.550 0.02 1 660 63 63 PRO HG2 H 2.010 0.02 1 661 63 63 PRO HG3 H 2.010 0.02 1 662 63 63 PRO HD2 H 3.800 0.02 1 663 63 63 PRO HD3 H 3.800 0.02 1 664 63 63 PRO C C 176.673 0.2 1 665 63 63 PRO CA C 62.763 0.2 1 666 63 63 PRO CB C 29.010 0.2 1 667 63 63 PRO CG C 26.570 0.2 1 668 63 63 PRO CD C 51.400 0.2 1 669 64 64 LEU H H 7.950 0.02 1 670 64 64 LEU HA H 4.380 0.02 1 671 64 64 LEU HB2 H 1.330 0.02 1 672 64 64 LEU HB3 H 1.330 0.02 1 673 64 64 LEU HG H 1.520 0.02 1 674 64 64 LEU HD1 H 0.750 0.02 4 675 64 64 LEU HD2 H 0.752 0.02 4 676 64 64 LEU C C 177.585 0.2 1 677 64 64 LEU CA C 53.857 0.2 1 678 64 64 LEU CB C 43.144 0.2 1 679 64 64 LEU CG C 31.820 0.2 1 680 64 64 LEU CD1 C 22.919 0.2 1 681 64 64 LEU CD2 C 22.919 0.2 1 682 64 64 LEU N N 120.875 0.2 1 683 65 65 GLY H H 7.637 0.02 1 684 65 65 GLY HA2 H 4.100 0.02 2 685 65 65 GLY HA3 H 3.600 0.02 2 686 65 65 GLY C C 173.391 0.2 1 687 65 65 GLY CA C 43.540 0.2 1 688 65 65 GLY N N 108.710 0.2 1 689 66 66 ASN H H 8.807 0.02 1 690 66 66 ASN HA H 4.230 0.02 1 691 66 66 ASN HB2 H 2.608 0.02 2 692 66 66 ASN HB3 H 2.830 0.02 2 693 66 66 ASN HD21 H 6.870 0.02 2 694 66 66 ASN HD22 H 7.604 0.02 2 695 66 66 ASN C C 175.628 0.2 1 696 66 66 ASN CA C 54.481 0.2 1 697 66 66 ASN CB C 37.466 0.2 1 698 66 66 ASN N N 117.330 0.2 1 699 66 66 ASN ND2 N 113.280 0.2 1 700 67 67 ASN H H 8.795 0.02 1 701 67 67 ASN HA H 4.360 0.02 1 702 67 67 ASN HB2 H 3.330 0.02 2 703 67 67 ASN HB3 H 2.610 0.02 2 704 67 67 ASN HD21 H 7.680 0.02 2 705 67 67 ASN HD22 H 7.120 0.02 2 706 67 67 ASN C C 173.558 0.2 1 707 67 67 ASN CA C 53.850 0.2 1 708 67 67 ASN CB C 38.412 0.2 1 709 67 67 ASN N N 116.270 0.2 1 710 67 67 ASN ND2 N 112.230 0.2 1 711 68 68 SER H H 7.001 0.02 1 712 68 68 SER HA H 5.660 0.02 1 713 68 68 SER HB2 H 3.580 0.02 1 714 68 68 SER HB3 H 3.580 0.02 1 715 68 68 SER C C 173.383 0.2 1 716 68 68 SER CA C 56.669 0.2 1 717 68 68 SER CB C 65.107 0.2 1 718 68 68 SER N N 111.179 0.2 1 719 69 69 TRP H H 8.750 0.02 1 720 69 69 TRP HA H 5.030 0.02 1 721 69 69 TRP HB2 H 2.785 0.02 2 722 69 69 TRP HB3 H 3.020 0.02 2 723 69 69 TRP HD1 H 7.160 0.02 1 724 69 69 TRP HE1 H 10.090 0.02 2 725 69 69 TRP HE3 H 6.770 0.02 3 726 69 69 TRP HZ2 H 6.560 0.02 3 727 69 69 TRP HZ3 H 7.080 0.02 3 728 69 69 TRP HH2 H 7.240 0.02 1 729 69 69 TRP C C 174.334 0.2 1 730 69 69 TRP CA C 57.138 0.2 1 731 69 69 TRP CB C 34.232 0.2 1 732 69 69 TRP N N 125.173 0.2 1 733 69 69 TRP NE1 N 128.380 0.2 1 734 70 70 THR H H 9.134 0.02 1 735 70 70 THR HA H 5.140 0.02 1 736 70 70 THR HB H 4.124 0.02 1 737 70 70 THR HG2 H 1.150 0.02 1 738 70 70 THR CA C 59.013 0.2 1 739 70 70 THR CB C 70.731 0.2 1 740 70 70 THR CG2 C 19.638 0.2 1 741 70 70 THR N N 116.470 0.2 1 742 71 70 THR C C 171.744 0.2 1 743 71 71 LEU H H 7.959 0.02 1 744 71 71 LEU HA H 5.440 0.02 1 745 71 71 LEU HB2 H 1.368 0.02 2 746 71 71 LEU HB3 H 1.650 0.02 2 747 71 71 LEU HG H 1.491 0.02 1 748 71 71 LEU HD1 H 0.810 0.02 4 749 71 71 LEU HD2 H 0.770 0.02 4 750 71 71 LEU C C 175.294 0.2 1 751 71 71 LEU CA C 53.060 0.2 1 752 71 71 LEU CB C 45.770 0.2 1 753 71 71 LEU CG C 26.100 0.2 1 754 71 71 LEU CD1 C 25.263 0.2 1 755 71 71 LEU CD2 C 25.263 0.2 1 756 71 71 LEU N N 120.556 0.2 1 757 72 72 GLU H H 8.930 0.02 1 758 72 72 GLU HA H 4.970 0.02 1 759 72 72 GLU HB2 H 2.244 0.02 2 760 72 72 GLU HB3 H 1.850 0.02 2 761 72 72 GLU HG2 H 2.100 0.02 1 762 72 72 GLU HG3 H 2.100 0.02 1 763 72 72 GLU C C 172.305 0.2 1 764 72 72 GLU CA C 53.010 0.2 1 765 72 72 GLU CB C 31.560 0.2 1 766 72 72 GLU CG C 35.340 0.2 1 767 72 72 GLU N N 118.799 0.2 1 768 73 73 PRO HA H 4.580 0.02 1 769 73 73 PRO HB2 H 1.860 0.02 2 770 73 73 PRO HB3 H 2.330 0.02 2 771 73 73 PRO HG2 H 1.970 0.02 2 772 73 73 PRO HG3 H 2.140 0.02 2 773 73 73 PRO HD2 H 3.690 0.02 2 774 73 73 PRO HD3 H 3.580 0.02 2 775 73 73 PRO C C 176.155 0.2 1 776 73 73 PRO CA C 63.232 0.2 1 777 73 73 PRO CB C 31.944 0.2 1 778 73 73 PRO CG C 27.670 0.2 1 779 73 73 PRO CD C 50.661 0.2 1 780 74 74 ALA H H 8.407 0.02 1 781 74 74 ALA HA H 4.350 0.02 1 782 74 74 ALA HB H 1.139 0.02 1 783 74 74 ALA C C 175.498 0.2 1 784 74 74 ALA CA C 50.265 0.2 1 785 74 74 ALA CB C 17.763 0.2 1 786 74 74 ALA N N 126.297 0.2 1 787 75 75 PRO HA H 4.090 0.02 1 788 75 75 PRO HB2 H 1.990 0.02 1 789 75 75 PRO HB3 H 1.990 0.02 1 790 75 75 PRO HG2 H 2.290 0.02 2 791 75 75 PRO HG3 H 1.970 0.02 2 792 75 75 PRO HD2 H 3.530 0.02 2 793 75 75 PRO HD3 H 3.710 0.02 2 794 75 75 PRO C C 176.213 0.2 1 795 75 75 PRO CA C 61.825 0.2 1 796 75 75 PRO CB C 32.284 0.2 1 797 75 75 PRO CG C 27.130 0.2 1 798 75 75 PRO CD C 50.700 0.2 1 799 76 76 ALA H H 8.250 0.02 1 800 76 76 ALA HA H 4.540 0.02 1 801 76 76 ALA HB H 1.320 0.02 1 802 76 76 ALA C C 177.901 0.2 1 803 76 76 ALA CA C 50.140 0.2 1 804 76 76 ALA CB C 18.232 0.2 1 805 76 76 ALA N N 124.320 0.2 1 806 77 77 PRO HA H 4.360 0.02 1 807 77 77 PRO HB2 H 1.872 0.02 2 808 77 77 PRO HB3 H 2.255 0.02 2 809 77 77 PRO HG2 H 1.990 0.02 1 810 77 77 PRO HG3 H 1.990 0.02 1 811 77 77 PRO HD2 H 3.600 0.02 2 812 77 77 PRO HD3 H 3.770 0.02 2 813 77 77 PRO C C 176.775 0.2 1 814 77 77 PRO CA C 62.294 0.2 1 815 77 77 PRO CB C 32.290 0.2 1 816 77 77 PRO CG C 27.130 0.2 1 817 77 77 PRO CD C 49.580 0.2 1 818 78 78 LYS H H 8.447 0.02 1 819 78 78 LYS HA H 4.270 0.02 1 820 78 78 LYS HB2 H 1.790 0.02 2 821 78 78 LYS HB3 H 1.740 0.02 2 822 78 78 LYS HG2 H 1.450 0.02 1 823 78 78 LYS HG3 H 1.450 0.02 1 824 78 78 LYS HD2 H 1.690 0.02 1 825 78 78 LYS HD3 H 1.690 0.02 1 826 78 78 LYS HE2 H 2.950 0.02 2 827 78 78 LYS HE3 H 2.410 0.02 2 828 78 78 LYS C C 176.692 0.2 1 829 78 78 LYS CA C 56.200 0.2 1 830 78 78 LYS CB C 32.760 0.2 1 831 78 78 LYS CG C 25.263 0.2 1 832 78 78 LYS CD C 29.107 0.2 1 833 78 78 LYS CE C 41.160 0.2 1 834 78 78 LYS N N 122.070 0.2 1 835 79 79 GLU H H 8.557 0.02 1 836 79 79 GLU HA H 4.259 0.02 1 837 79 79 GLU HB2 H 2.020 0.02 2 838 79 79 GLU HB3 H 1.903 0.02 2 839 79 79 GLU HG2 H 2.235 0.02 1 840 79 79 GLU HG3 H 2.235 0.02 1 841 79 79 GLU C C 176.111 0.2 1 842 79 79 GLU CA C 56.200 0.2 1 843 79 79 GLU CB C 30.419 0.2 1 844 79 79 GLU CG C 36.400 0.2 1 845 79 79 GLU N N 122.500 0.2 1 846 80 80 ASP H H 8.390 0.02 1 847 80 80 ASP HA H 4.539 0.02 1 848 80 80 ASP HB2 H 2.620 0.02 1 849 80 80 ASP HB3 H 2.620 0.02 1 850 80 80 ASP C C 175.614 0.2 1 851 80 80 ASP CA C 54.650 0.2 1 852 80 80 ASP CB C 41.182 0.2 1 853 80 80 ASP N N 121.760 0.2 1 854 81 81 ALA H H 8.290 0.02 1 855 81 81 ALA HA H 4.240 0.02 1 856 81 81 ALA HB H 1.350 0.02 1 857 81 81 ALA C C 176.469 0.2 1 858 81 81 ALA CA C 52.450 0.2 1 859 81 81 ALA CB C 19.169 0.2 1 860 81 81 ALA N N 124.570 0.2 1 861 82 82 LEU H H 7.837 0.02 1 862 82 82 LEU HA H 4.340 0.02 1 863 82 82 LEU HB2 H 1.630 0.02 2 864 82 82 LEU HB3 H 1.565 0.02 2 865 82 82 LEU HG H 0.980 0.02 1 866 82 82 LEU HD1 H 0.840 0.02 4 867 82 82 LEU HD2 H 0.840 0.02 4 868 82 82 LEU CA C 55.296 0.2 1 869 82 82 LEU CB C 42.041 0.2 1 870 82 82 LEU CG C 27.070 0.2 1 871 82 82 LEU CD1 C 23.388 0.2 2 872 82 82 LEU CD2 C 23.388 0.2 2 873 82 82 LEU N N 127.273 0.2 1 874 83 83 THR H H 8.084 0.02 1 875 83 83 THR HA H 4.290 0.02 1 876 83 83 THR HB H 4.180 0.02 1 877 83 83 THR HG2 H 1.160 0.02 1 878 83 83 THR CA C 61.825 0.2 1 879 83 83 THR CB C 69.794 0.2 1 880 83 83 THR CG2 C 21.513 0.2 1 881 83 83 THR N N 115.634 0.2 1 882 84 84 VAL H H 8.170 0.02 1 883 84 84 VAL HA H 4.120 0.02 1 884 84 84 VAL HB H 2.010 0.02 1 885 84 84 VAL HG1 H 0.870 0.02 4 886 84 84 VAL HG2 H 0.870 0.02 4 887 84 84 VAL C C 175.775 0.2 1 888 84 84 VAL CA C 61.825 0.2 1 889 84 84 VAL CB C 32.870 0.2 1 890 84 84 VAL CG1 C 21.044 0.2 1 891 84 84 VAL CG2 C 21.044 0.2 1 892 84 84 VAL N N 123.484 0.2 1 893 85 85 VAL H H 8.380 0.02 1 894 85 85 VAL HA H 4.070 0.02 1 895 85 85 VAL HB H 1.960 0.02 1 896 85 85 VAL HG1 H 0.870 0.02 4 897 85 85 VAL HG2 H 0.870 0.02 4 898 85 85 VAL C C 176.415 0.2 1 899 85 85 VAL CA C 62.763 0.2 1 900 85 85 VAL CB C 32.418 0.2 1 901 85 85 VAL CG1 C 21.044 0.2 1 902 85 85 VAL CG2 C 21.044 0.2 1 903 85 85 VAL N N 125.940 0.2 1 904 86 86 GLY H H 8.270 0.02 1 905 86 86 GLY HA2 H 3.750 0.02 1 906 86 86 GLY HA3 H 3.750 0.02 1 907 86 86 GLY C C 173.700 0.2 1 908 86 86 GLY CA C 45.261 0.2 1 909 86 86 GLY N N 112.220 0.2 1 910 87 87 ASP H H 8.180 0.02 1 911 87 87 ASP HA H 4.540 0.02 1 912 87 87 ASP HB2 H 2.590 0.02 1 913 87 87 ASP HB3 H 2.590 0.02 1 914 87 87 ASP C C 175.995 0.2 1 915 87 87 ASP CA C 54.345 0.2 1 916 87 87 ASP CB C 41.390 0.2 1 917 87 87 ASP N N 120.490 0.2 1 918 88 88 TRP H H 8.102 0.02 1 919 88 88 TRP HA H 4.630 0.02 1 920 88 88 TRP HB2 H 3.230 0.02 1 921 88 88 TRP HB3 H 3.230 0.02 1 922 88 88 TRP HD1 H 7.170 0.02 1 923 88 88 TRP HE1 H 10.159 0.02 2 924 88 88 TRP HE3 H 7.560 0.02 3 925 88 88 TRP HZ2 H 7.390 0.02 3 926 88 88 TRP HZ3 H 7.010 0.02 3 927 88 88 TRP HH2 H 7.730 0.02 1 928 88 88 TRP C C 176.193 0.2 1 929 88 88 TRP CA C 57.607 0.2 1 930 88 88 TRP CB C 29.380 0.2 1 931 88 88 TRP N N 121.284 0.2 1 932 88 88 TRP NE1 N 129.822 0.2 1 933 89 89 LEU H H 8.024 0.02 1 934 89 89 LEU HA H 4.180 0.02 1 935 89 89 LEU HB2 H 1.430 0.02 1 936 89 89 LEU HB3 H 1.430 0.02 1 937 89 89 LEU HG H 1.740 0.02 1 938 89 89 LEU HD1 H 0.750 0.02 4 939 89 89 LEU HD2 H 0.759 0.02 4 940 89 89 LEU C C 177.480 0.2 1 941 89 89 LEU CA C 55.134 0.2 1 942 89 89 LEU CB C 41.700 0.2 1 943 89 89 LEU CG C 26.656 0.2 1 944 89 89 LEU CD1 C 24.794 0.2 1 945 89 89 LEU CD2 C 24.794 0.2 1 946 89 89 LEU N N 124.125 0.2 1 947 90 90 GLY H H 7.515 0.02 1 948 90 90 GLY HA2 H 3.710 0.02 2 949 90 90 GLY HA3 H 3.650 0.02 2 950 90 90 GLY C C 173.646 0.2 1 951 90 90 GLY CA C 45.117 0.2 1 952 90 90 GLY N N 108.120 0.2 1 953 91 91 ASP H H 8.220 0.02 1 954 91 91 ASP HA H 4.551 0.02 1 955 91 91 ASP HB2 H 2.580 0.02 1 956 91 91 ASP HB3 H 2.580 0.02 1 957 91 91 ASP CA C 54.364 0.2 1 958 91 91 ASP CB C 41.156 0.2 1 959 91 91 ASP N N 120.490 0.2 1 960 92 92 ALA H H 8.210 0.02 1 961 92 92 ALA HA H 4.231 0.02 1 962 92 92 ALA HB H 1.355 0.02 1 963 92 92 ALA C C 177.877 0.2 1 964 92 92 ALA CA C 52.847 0.2 1 965 92 92 ALA CB C 18.701 0.2 1 966 92 92 ALA N N 124.000 0.2 1 967 93 93 ARG H H 8.280 0.02 1 968 93 93 ARG HA H 4.202 0.02 1 969 93 93 ARG HB2 H 1.803 0.02 2 970 93 93 ARG HB3 H 1.720 0.02 2 971 93 93 ARG HG2 H 1.550 0.02 1 972 93 93 ARG HG3 H 1.550 0.02 1 973 93 93 ARG HD2 H 3.110 0.02 1 974 93 93 ARG HD3 H 3.110 0.02 1 975 93 93 ARG C C 176.739 0.2 1 976 93 93 ARG CA C 56.200 0.2 1 977 93 93 ARG CB C 30.367 0.2 1 978 93 93 ARG CG C 26.850 0.2 1 979 93 93 ARG CD C 43.388 0.2 1 980 93 93 ARG N N 119.282 0.2 1 981 94 94 GLU H H 8.330 0.02 1 982 94 94 GLU HA H 4.150 0.02 1 983 94 94 GLU HB2 H 2.009 0.02 2 984 94 94 GLU HB3 H 1.931 0.02 2 985 94 94 GLU HG2 H 2.220 0.02 1 986 94 94 GLU HG3 H 2.220 0.02 1 987 94 94 GLU C C 176.389 0.2 1 988 94 94 GLU CA C 57.138 0.2 1 989 94 94 GLU CB C 30.270 0.2 1 990 94 94 GLU CG C 36.510 0.2 1 991 94 94 GLU N N 120.370 0.2 1 992 95 95 ASN H H 8.337 0.02 1 993 95 95 ASN HA H 4.619 0.02 1 994 95 95 ASN HB2 H 2.780 0.02 2 995 95 95 ASN HB3 H 2.720 0.02 2 996 95 95 ASN HD21 H 7.600 0.02 2 997 95 95 ASN HD22 H 6.870 0.02 2 998 95 95 ASN C C 174.979 0.2 1 999 95 95 ASN CA C 53.300 0.2 1 1000 95 95 ASN CB C 39.031 0.2 1 1001 95 95 ASN N N 118.560 0.2 1 1002 95 95 ASN ND2 N 112.580 0.2 1 1003 96 96 ASP H H 8.298 0.02 1 1004 96 96 ASP HA H 4.540 0.02 1 1005 96 96 ASP HB2 H 2.672 0.02 2 1006 96 96 ASP HB3 H 2.617 0.02 2 1007 96 96 ASP C C 176.490 0.2 1 1008 96 96 ASP CA C 54.589 0.2 1 1009 96 96 ASP CB C 41.317 0.2 1 1010 96 96 ASP N N 120.432 0.2 1 1011 97 97 LEU H H 8.197 0.02 1 1012 97 97 LEU HA H 4.143 0.02 1 1013 97 97 LEU HB2 H 1.575 0.02 1 1014 97 97 LEU HB3 H 1.575 0.02 1 1015 97 97 LEU HG H 1.550 0.02 1 1016 97 97 LEU HD1 H 0.735 0.02 4 1017 97 97 LEU HD2 H 0.735 0.02 4 1018 97 97 LEU C C 177.921 0.2 1 1019 97 97 LEU CA C 55.304 0.2 1 1020 97 97 LEU CB C 42.040 0.2 1 1021 97 97 LEU CG C 26.909 0.2 1 1022 97 97 LEU CD1 C 22.919 0.2 2 1023 97 97 LEU CD2 C 24.794 0.2 2 1024 97 97 LEU N N 121.760 0.2 1 1025 98 98 GLU H H 8.178 0.02 1 1026 98 98 GLU HA H 4.079 0.02 1 1027 98 98 GLU HB2 H 1.832 0.02 1 1028 98 98 GLU HB3 H 1.832 0.02 1 1029 98 98 GLU HG2 H 2.100 0.02 1 1030 98 98 GLU HG3 H 2.100 0.02 1 1031 98 98 GLU C C 176.367 0.2 1 1032 98 98 GLU CA C 57.138 0.2 1 1033 98 98 GLU CB C 29.933 0.2 1 1034 98 98 GLU CG C 36.292 0.2 1 1035 98 98 GLU N N 118.380 0.2 1 1036 99 99 HIS HA H 4.580 0.02 1 1037 99 99 HIS HB2 H 3.010 0.02 2 1038 99 99 HIS HB3 H 3.085 0.02 2 1039 99 99 HIS C C 174.607 0.2 1 1040 99 99 HIS CA C 57.138 0.2 1 1041 99 99 HIS CB C 29.290 0.2 1 1042 100 100 HIS C C 178.903 0.2 1 1043 100 100 HIS CA C 55.440 0.2 1 1044 100 100 HIS CB C 30.060 0.2 1 stop_ save_