data_6766 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete assignment of a hypothetical protein pa0128 form Pseudomonas aeruginosa. Northeast Structural Genomics Consortium Target PaT1. ; _BMRB_accession_number 6766 _BMRB_flat_file_name bmr6766.str _Entry_type original _Submission_date 2005-08-09 _Accession_date 2005-08-09 _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 Srisailam Sampath . . 2 Yee Adelinda . . 3 Lukin Jonathan . . 4 Lemak Alexander . . 5 Bansal Sonal . . 6 James Prestegard . . 7 Arrowsmith Cheryl . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 652 "13C chemical shifts" 488 "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-08 update BMRB 'complete entry citation' 2006-04-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_pa0128_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Sequence Specific Resonance Assignment of a Hypothetical Protein PA0128 from Pseudomonas Aeruginosa ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16703420 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Srisailam Sampath . . 2 Lukin Jonathan A. . 3 Lemak Alexander . . 4 Yee Adelinda . . 5 Arrowsmith Cheryl H. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 27 _Page_last 27 _Year 2006 _Details . loop_ _Keyword 'phn-A like protein' 'Two domain protein' 'Zn binding protein' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name pa0128 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label protein $pa0128 'Zn (II) ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details ; This hypothetical protein (pa0128) has two domains(N-ter and C-ter) connected with a flexible linker and Zn bound to N-terminal domain. ; save_ ######################## # Monomeric polymers # ######################## save_pa0128 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'phn-a like hypothetical protein' _Molecular_mass 12407 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 138 _Mol_residue_sequence ; MGSSHHHHHHSSGRENLYFQ GHMVSTLPPCPQCNSEYTYE DGALLVCPECAHEWSPNEAA TASDDGKVIKDSVGNVLQDG DTITVIKDLKVKGSSLVVKV GTKVKNIRLVDGDHDIDCKI DGIGAMKLKSEFVRKVGS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -22 MET 2 -21 GLY 3 -20 SER 4 -19 SER 5 -18 HIS 6 -17 HIS 7 -16 HIS 8 -15 HIS 9 -14 HIS 10 -13 HIS 11 -12 SER 12 -11 SER 13 -10 GLY 14 -9 ARG 15 -8 GLU 16 -7 ASN 17 -6 LEU 18 -5 TYR 19 -4 PHE 20 -3 GLN 21 -2 GLY 22 -1 HIS 23 1 MET 24 2 VAL 25 3 SER 26 4 THR 27 5 LEU 28 6 PRO 29 7 PRO 30 8 CYS 31 9 PRO 32 10 GLN 33 11 CYS 34 12 ASN 35 13 SER 36 14 GLU 37 15 TYR 38 16 THR 39 17 TYR 40 18 GLU 41 19 ASP 42 20 GLY 43 21 ALA 44 22 LEU 45 23 LEU 46 24 VAL 47 25 CYS 48 26 PRO 49 27 GLU 50 28 CYS 51 29 ALA 52 30 HIS 53 31 GLU 54 32 TRP 55 33 SER 56 34 PRO 57 35 ASN 58 36 GLU 59 37 ALA 60 38 ALA 61 39 THR 62 40 ALA 63 41 SER 64 42 ASP 65 43 ASP 66 44 GLY 67 45 LYS 68 46 VAL 69 47 ILE 70 48 LYS 71 49 ASP 72 50 SER 73 51 VAL 74 52 GLY 75 53 ASN 76 54 VAL 77 55 LEU 78 56 GLN 79 57 ASP 80 58 GLY 81 59 ASP 82 60 THR 83 61 ILE 84 62 THR 85 63 VAL 86 64 ILE 87 65 LYS 88 66 ASP 89 67 LEU 90 68 LYS 91 69 VAL 92 70 LYS 93 71 GLY 94 72 SER 95 73 SER 96 74 LEU 97 75 VAL 98 76 VAL 99 77 LYS 100 78 VAL 101 79 GLY 102 80 THR 103 81 LYS 104 82 VAL 105 83 LYS 106 84 ASN 107 85 ILE 108 86 ARG 109 87 LEU 110 88 VAL 111 89 ASP 112 90 GLY 113 91 ASP 114 92 HIS 115 93 ASP 116 94 ILE 117 95 ASP 118 96 CYS 119 97 LYS 120 98 ILE 121 99 ASP 122 100 GLY 123 101 ILE 124 102 GLY 125 103 ALA 126 104 MET 127 105 LYS 128 106 LEU 129 107 LYS 130 108 SER 131 109 GLU 132 110 PHE 133 111 VAL 134 112 ARG 135 113 LYS 136 114 VAL 137 115 GLY 138 116 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-25 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 2AKL "Solution Structure For Phn-A Like Protein Pa0128 From Pseudomonas Aeruginosa" 100.00 138 100.00 100.00 1.22e-95 DBJ BAK87024 "hypothetical protein NCGM2_0132 [Pseudomonas aeruginosa NCGM2.S1]" 81.88 113 98.23 99.12 4.42e-73 DBJ BAP19254 "gamma-aminobutyrate permease [Pseudomonas aeruginosa]" 81.88 113 98.23 99.12 4.42e-73 DBJ BAP48132 "gamma-aminobutyrate permease [Pseudomonas aeruginosa]" 81.88 113 98.23 99.12 4.42e-73 DBJ GAA19818 "putative alkylphosphonate uptake protein [Pseudomonas aeruginosa NCMG1179]" 81.88 113 99.12 100.00 3.02e-74 DBJ GAJ54686 "alkylphosphonate utilization operon protein PhnA [Pseudomonas aeruginosa RB]" 81.88 113 99.12 100.00 3.02e-74 EMBL CAW24856 "putative alkylphosphonate uptake protein [Pseudomonas aeruginosa LESB58]" 81.88 113 99.12 100.00 3.02e-74 EMBL CCQ86833 "Alkylphosphonate utilization operon protein PhnA [Pseudomonas aeruginosa 18A]" 81.88 113 99.12 100.00 3.02e-74 EMBL CDH68429 "hypothetical protein P38_0094 [Pseudomonas aeruginosa MH38]" 81.88 113 99.12 100.00 3.02e-74 EMBL CDH74517 "hypothetical protein PAMH27_0090 [Pseudomonas aeruginosa MH27]" 81.88 113 98.23 99.12 4.42e-73 EMBL CDI88258 "putative alkylphosphonate uptake protein [Pseudomonas aeruginosa PA38182]" 81.88 113 99.12 100.00 3.02e-74 GB AAG03518 "conserved hypothetical protein [Pseudomonas aeruginosa PAO1]" 81.88 113 99.12 100.00 3.02e-74 GB ABJ15085 "putative alkylphosphonate uptake protein [Pseudomonas aeruginosa UCBPP-PA14]" 81.88 113 99.12 100.00 3.02e-74 GB ABR86035 "conserved hypothetical protein [Pseudomonas aeruginosa PA7]" 81.88 113 99.12 100.00 3.02e-74 GB AEO72619 "putative alkylphosphonate uptake protein [Pseudomonas aeruginosa M18]" 81.88 113 99.12 100.00 3.02e-74 GB AFM62426 "phosphonoacetate hydrolase [Pseudomonas aeruginosa DK2]" 81.88 113 99.12 100.00 3.02e-74 REF NP_248818 "hypothetical protein PA0128 [Pseudomonas aeruginosa PAO1]" 81.88 113 99.12 100.00 3.02e-74 REF WP_003083779 "putative alkylphosphonate uptake protein [Pseudomonas aeruginosa]" 50.00 69 98.55 100.00 4.08e-36 REF WP_003101229 "MULTISPECIES: hypothetical protein [Pseudomonas]" 81.88 113 99.12 100.00 3.02e-74 REF WP_014603467 "hypothetical protein [Pseudomonas aeruginosa]" 81.88 113 98.23 99.12 4.42e-73 REF WP_023081666 "hypothetical protein [Pseudomonas aeruginosa]" 81.88 113 98.23 100.00 1.27e-73 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jun 15 12:20:01 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $pa0128 Bacteria 287 Eukaryota Metazoa Pseudomonas aeruginosa 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 $pa0128 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $pa0128 1 mM '[U-15N; U-13C]' 'sodium phosphates' 20 mM . NaCl 400 mM . DTT 15 mM . Benzamidine 1 mM . 'Sodium Azide' 0.01 % . 'Zinc Sulfate' 20 uM . D2O 5 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name SPARKY _Version 3.95 _Details 'For Analysis and Assignment' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_Aromatic_13C-Noesy_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'Aromatic 13C-Noesy' _Sample_label $sample_1 save_ save_CBCAcoNH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCAcoNH _Sample_label $sample_1 save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCB _Sample_label $sample_1 save_ save_HNcoCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNcoCA _Sample_label $sample_1 save_ save_HBHAcoNH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHAcoNH _Sample_label $sample_1 save_ save_CCTOCSY_NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CCTOCSY_NH _Sample_label $sample_1 save_ save_HCCTOCSY_NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCTOCSY_NH _Sample_label $sample_1 save_ save_13C_HSQ_10 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQ' _Sample_label $sample_1 save_ save_HCCHCOSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHCOSY _Sample_label $sample_1 save_ save_15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _Sample_label $sample_1 save_ save_13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _Sample_label $sample_1 save_ save_hcbcaconh_PRO_expt_14 _Saveframe_category NMR_applied_experiment _Experiment_name 'hcbcaconh PRO expt' _Sample_label $sample_1 save_ save_hcangp3d_PRO_expt_15 _Saveframe_category NMR_applied_experiment _Experiment_name 'hcangp3d PRO expt' _Sample_label $sample_1 save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_Aromatic_13C-Noesy _Saveframe_category NMR_applied_experiment _Experiment_name 'Aromatic 13C-Noesy' _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCAcoNH _Saveframe_category NMR_applied_experiment _Experiment_name CBCAcoNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCB _Saveframe_category NMR_applied_experiment _Experiment_name HNCB _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNcoCA _Saveframe_category NMR_applied_experiment _Experiment_name HNcoCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HBHAcoNH _Saveframe_category NMR_applied_experiment _Experiment_name HBHAcoNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_CCTOCSY_NH _Saveframe_category NMR_applied_experiment _Experiment_name 'CCTOCSY NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCTOCSY_NH _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCTOCSY NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C_HSQ _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQ' _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCHCOSY _Saveframe_category NMR_applied_experiment _Experiment_name HCCHCOSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_hcbcaconh_PRO_expt _Saveframe_category NMR_applied_experiment _Experiment_name 'hcbcaconh PRO expt' _BMRB_pulse_sequence_accession_number . _Details . save_ save_hcangp3d_PRO_expt _Saveframe_category NMR_applied_experiment _Experiment_name 'hcangp3d PRO expt' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.4 0.005 M pH 6.5 0.2 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 $pa0128_citation $pa0128_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $pa0128_citation $pa0128_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $pa0128_citation $pa0128_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name protein _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 23 MET H H 8.473 0.02 1 2 1 23 MET HA H 4.493 0.02 1 3 1 23 MET HB2 H 1.925 0.02 1 4 1 23 MET HB3 H 2.015 0.02 1 5 1 23 MET HG2 H 2.432 0.02 1 6 1 23 MET HG3 H 2.432 0.02 1 7 1 23 MET HE H 0.884 0.02 1 8 1 23 MET C C 175.93 0.4 1 9 1 23 MET CA C 55.290 0.4 1 10 1 23 MET CB C 33.028 0.4 1 11 1 23 MET CG C 31.984 0.4 1 12 1 23 MET N N 122.174 0.4 1 13 2 24 VAL H H 8.254 0.02 1 14 2 24 VAL HA H 4.138 0.02 1 15 2 24 VAL HB H 2.054 0.02 1 16 2 24 VAL HG1 H 0.912 0.02 1 17 2 24 VAL HG2 H 0.912 0.02 1 18 2 24 VAL C C 175.85 0.4 1 19 2 24 VAL CA C 62.052 0.4 1 20 2 24 VAL CB C 32.942 0.4 1 21 2 24 VAL CG1 C 21.384 0.4 1 22 2 24 VAL CG2 C 21.384 0.4 1 23 2 24 VAL N N 121.656 0.4 1 24 3 25 SER H H 8.520 0.02 1 25 3 25 SER HA H 4.633 0.02 1 26 3 25 SER HB2 H 3.876 0.02 1 27 3 25 SER HB3 H 3.916 0.02 1 28 3 25 SER C C 174.84 0.4 1 29 3 25 SER CA C 57.452 0.4 1 30 3 25 SER CB C 64.120 0.4 1 31 3 25 SER N N 119.648 0.4 1 32 4 26 THR H H 8.262 0.02 1 33 4 26 THR HA H 4.385 0.02 1 34 4 26 THR HB H 4.315 0.02 1 35 4 26 THR HG2 H 1.182 0.02 1 36 4 26 THR C C 174.55 0.4 1 37 4 26 THR CA C 61.327 0.4 1 38 4 26 THR CB C 69.348 0.4 1 39 4 26 THR CG2 C 21.758 0.4 1 40 4 26 THR N N 115.024 0.4 1 41 5 27 LEU H H 8.197 0.02 1 42 5 27 LEU HA H 4.527 0.02 1 43 5 27 LEU HB2 H 1.205 0.02 1 44 5 27 LEU HB3 H 1.542 0.02 1 45 5 27 LEU HG H 1.649 0.02 1 46 5 27 LEU HD1 H 0.788 0.02 1 47 5 27 LEU HD2 H 0.847 0.02 1 48 5 27 LEU C C 173.81 0.4 1 49 5 27 LEU CA C 52.991 0.4 1 50 5 27 LEU CB C 40.736 0.4 1 51 5 27 LEU CG C 27.282 0.4 1 52 5 27 LEU CD1 C 22.686 0.4 1 53 5 27 LEU CD2 C 26.258 0.4 1 54 5 27 LEU N N 125.937 0.4 1 55 6 28 PRO HA H 4.674 0.02 1 56 6 28 PRO HB2 H 2.103 0.02 1 57 6 28 PRO HB3 H 2.433 0.02 1 58 6 28 PRO HG2 H 2.186 0.02 1 59 6 28 PRO HG3 H 2.130 0.02 1 60 6 28 PRO HD2 H 3.439 0.02 1 61 6 28 PRO HD3 H 3.773 0.02 1 62 6 28 PRO CA C 61.471 0.4 1 63 6 28 PRO CB C 31.299 0.4 1 64 6 28 PRO CG C 27.889 0.4 1 65 6 28 PRO CD C 50.284 0.4 1 66 6 28 PRO N N 136.74 0.4 1 67 7 29 PRO HA H 4.750 0.02 1 68 7 29 PRO HB2 H 1.525 0.02 1 69 7 29 PRO HB3 H 1.940 0.02 1 70 7 29 PRO HG2 H 1.835 0.02 1 71 7 29 PRO HG3 H 1.891 0.02 1 72 7 29 PRO HD2 H 3.581 0.02 1 73 7 29 PRO HD3 H 3.724 0.02 1 74 7 29 PRO C C 173.73 0.4 1 75 7 29 PRO CA C 61.331 0.4 1 76 7 29 PRO CB C 33.033 0.4 1 77 7 29 PRO CG C 27.102 0.4 1 78 7 29 PRO CD C 50.245 0.4 1 79 7 29 PRO N N 132.53 0.4 1 80 8 30 CYS H H 8.564 0.02 1 81 8 30 CYS HA H 4.183 0.02 1 82 8 30 CYS HB2 H 2.991 0.02 1 83 8 30 CYS HB3 H 2.952 0.02 1 84 8 30 CYS C C 177.07 0.4 1 85 8 30 CYS CA C 56.928 0.4 1 86 8 30 CYS CB C 31.540 0.4 1 87 8 30 CYS N N 122.924 0.4 1 88 9 31 PRO HA H 4.110 0.02 1 89 9 31 PRO HB2 H 1.549 0.02 1 90 9 31 PRO HB3 H 1.930 0.02 1 91 9 31 PRO HG2 H 0.925 0.02 1 92 9 31 PRO HG3 H 0.988 0.02 1 93 9 31 PRO HD2 H 2.087 0.02 1 94 9 31 PRO HD3 H 2.619 0.02 1 95 9 31 PRO C C 176.60 0.4 1 96 9 31 PRO CA C 63.231 0.4 1 97 9 31 PRO CB C 32.077 0.4 1 98 9 31 PRO CG C 26.135 0.4 1 99 9 31 PRO CD C 49.831 0.4 1 100 10 32 GLN H H 8.943 0.02 1 101 10 32 GLN HA H 4.075 0.02 1 102 10 32 GLN HB2 H 1.346 0.02 1 103 10 32 GLN HB3 H 1.854 0.02 1 104 10 32 GLN HG2 H 1.437 0.02 1 105 10 32 GLN HG3 H 1.561 0.02 1 106 10 32 GLN HE21 H 6.713 0.02 1 107 10 32 GLN HE22 H 7.192 0.02 1 108 10 32 GLN C C 176.81 0.4 1 109 10 32 GLN CA C 57.208 0.4 1 110 10 32 GLN CB C 30.041 0.4 1 111 10 32 GLN CG C 33.340 0.4 1 112 10 32 GLN N N 121.326 0.4 1 113 10 32 GLN NE2 N 111.866 0.4 1 114 11 33 CYS H H 9.069 0.02 1 115 11 33 CYS HA H 4.912 0.02 1 116 11 33 CYS HB2 H 2.480 0.02 1 117 11 33 CYS HB3 H 3.178 0.02 1 118 11 33 CYS C C 176.6 0.4 1 119 11 33 CYS CA C 58.521 0.4 1 120 11 33 CYS CB C 32.544 0.4 1 121 11 33 CYS N N 120.973 0.4 1 122 12 34 ASN H H 7.959 0.02 1 123 12 34 ASN HA H 4.499 0.02 1 124 12 34 ASN HB2 H 2.873 0.02 1 125 12 34 ASN HB3 H 3.050 0.02 1 126 12 34 ASN HD21 H 6.673 0.02 1 127 12 34 ASN HD22 H 7.434 0.02 1 128 12 34 ASN C C 174.38 0.4 1 129 12 34 ASN CA C 54.985 0.4 1 130 12 34 ASN CB C 38.302 0.4 1 131 12 34 ASN N N 118.652 0.4 1 132 12 34 ASN ND2 N 112.316 0.4 1 133 13 35 SER H H 8.504 0.02 1 134 13 35 SER HA H 4.156 0.02 1 135 13 35 SER HB2 H 4.049 0.02 1 136 13 35 SER HB3 H 4.157 0.02 1 137 13 35 SER C C 175.19 0.4 1 138 13 35 SER CA C 60.501 0.4 1 139 13 35 SER CB C 64.760 0.4 1 140 13 35 SER N N 117.560 0.4 1 141 14 36 GLU H H 8.566 0.02 1 142 14 36 GLU HA H 4.571 0.02 1 143 14 36 GLU HB2 H 1.611 0.02 1 144 14 36 GLU HB3 H 2.050 0.02 1 145 14 36 GLU HG2 H 1.914 0.02 1 146 14 36 GLU HG3 H 2.044 0.02 1 147 14 36 GLU C C 177.07 0.4 1 148 14 36 GLU CA C 55.80 0.4 1 149 14 36 GLU CB C 29.342 0.4 1 150 14 36 GLU CG C 36.445 0.4 1 151 14 36 GLU N N 122.957 0.4 1 152 15 37 TYR H H 8.161 0.02 1 153 15 37 TYR HA H 4.750 0.02 1 154 15 37 TYR HB2 H 2.573 0.02 1 155 15 37 TYR HB3 H 3.574 0.02 1 156 15 37 TYR HD1 H 7.09 0.02 1 157 15 37 TYR HD2 H 7.09 0.02 1 158 15 37 TYR HE1 H 6.798 0.02 1 159 15 37 TYR HE2 H 6.798 0.02 1 160 15 37 TYR C C 173.22 0.4 1 161 15 37 TYR CA C 58.012 0.4 1 162 15 37 TYR CB C 38.202 0.4 1 163 15 37 TYR CD1 C 132.76 0.4 1 164 15 37 TYR CD2 C 132.76 0.4 1 165 15 37 TYR CE1 C 118.35 0.4 1 166 15 37 TYR CE2 C 118.35 0.4 1 167 15 37 TYR N N 119.864 0.4 1 168 16 38 THR H H 7.331 0.02 1 169 16 38 THR HA H 4.447 0.02 1 170 16 38 THR HB H 3.741 0.02 1 171 16 38 THR HG1 H 5.540 0.02 1 172 16 38 THR HG2 H 1.202 0.02 1 173 16 38 THR C C 173.20 0.4 1 174 16 38 THR CA C 62.739 0.4 1 175 16 38 THR CB C 70.259 0.4 1 176 16 38 THR CG2 C 25.675 0.4 1 177 16 38 THR N N 115.063 0.4 1 178 17 39 TYR H H 8.986 0.02 1 179 17 39 TYR HA H 5.018 0.02 1 180 17 39 TYR HB2 H 2.926 0.02 1 181 17 39 TYR HB3 H 3.110 0.02 1 182 17 39 TYR HD1 H 6.960 0.02 1 183 17 39 TYR HD2 H 6.960 0.02 1 184 17 39 TYR HE1 H 6.45 0.02 1 185 17 39 TYR HE2 H 6.45 0.02 1 186 17 39 TYR C C 171.94 0.4 1 187 17 39 TYR CA C 55.343 0.4 1 188 17 39 TYR CB C 40.884 0.4 1 189 17 39 TYR CD1 C 134.20 0.4 1 190 17 39 TYR CD2 C 134.20 0.4 1 191 17 39 TYR CE1 C 117.14 0.4 1 192 17 39 TYR CE2 C 117.14 0.4 1 193 17 39 TYR N N 122.475 0.4 1 194 18 40 GLU H H 8.473 0.02 1 195 18 40 GLU HA H 4.616 0.02 1 196 18 40 GLU HB2 H 1.883 0.02 1 197 18 40 GLU HB3 H 1.983 0.02 1 198 18 40 GLU HG2 H 2.079 0.02 1 199 18 40 GLU HG3 H 2.128 0.02 1 200 18 40 GLU C C 175.92 0.4 1 201 18 40 GLU CA C 55.985 0.4 1 202 18 40 GLU CB C 32.220 0.4 1 203 18 40 GLU CG C 37.10 0.4 1 204 18 40 GLU N N 118.379 0.4 1 205 19 41 ASP H H 8.675 0.02 1 206 19 41 ASP HA H 4.753 0.02 1 207 19 41 ASP HB2 H 2.281 0.02 1 208 19 41 ASP HB3 H 2.622 0.02 1 209 19 41 ASP C C 176.01 0.4 1 210 19 41 ASP CA C 52.889 0.4 1 211 19 41 ASP CB C 42.327 0.4 1 212 19 41 ASP N N 124.659 0.4 1 213 20 42 GLY H H 8.816 0.02 1 214 20 42 GLY HA2 H 3.568 0.02 1 215 20 42 GLY HA3 H 3.904 0.02 1 216 20 42 GLY C C 174.58 0.4 1 217 20 42 GLY CA C 47.069 0.4 1 218 20 42 GLY N N 115.227 0.4 1 219 21 43 ALA H H 8.841 0.02 1 220 21 43 ALA HA H 4.292 0.02 1 221 21 43 ALA HB H 1.349 0.02 1 222 21 43 ALA C C 176.39 0.4 1 223 21 43 ALA CA C 52.110 0.4 1 224 21 43 ALA CB C 19.036 0.4 1 225 21 43 ALA N N 129.829 0.4 1 226 22 44 LEU H H 7.593 0.02 1 227 22 44 LEU HA H 4.432 0.02 1 228 22 44 LEU HB2 H 1.259 0.02 1 229 22 44 LEU HB3 H 1.558 0.02 1 230 22 44 LEU HG H 1.434 0.02 1 231 22 44 LEU HD1 H 0.634 0.02 1 232 22 44 LEU HD2 H 0.735 0.02 1 233 22 44 LEU C C 175.49 0.4 1 234 22 44 LEU CA C 53.386 0.4 1 235 22 44 LEU CB C 44.605 0.4 1 236 22 44 LEU CG C 26.633 0.4 1 237 22 44 LEU CD1 C 23.421 0.4 1 238 22 44 LEU CD2 C 25.480 0.4 1 239 22 44 LEU N N 119.471 0.4 1 240 23 45 LEU H H 8.266 0.02 1 241 23 45 LEU HA H 4.325 0.02 1 242 23 45 LEU HB2 H -0.310 0.02 1 243 23 45 LEU HB3 H -0.475 0.02 1 244 23 45 LEU HG H 0.960 0.02 1 245 23 45 LEU HD1 H 0.438 0.02 1 246 23 45 LEU HD2 H 0.505 0.02 1 247 23 45 LEU CA C 52.840 0.4 1 248 23 45 LEU CB C 40.100 0.4 1 249 23 45 LEU CG C 26.810 0.4 1 250 23 45 LEU CD1 C 25.750 0.4 1 251 23 45 LEU CD2 C 24.080 0.4 1 252 23 45 LEU N N 121.568 0.4 1 253 24 46 VAL H H 8.119 0.02 1 254 24 46 VAL HA H 4.574 0.02 1 255 24 46 VAL HB H 0.389 0.02 1 256 24 46 VAL HG1 H 0.467 0.02 1 257 24 46 VAL HG2 H 0.621 0.02 1 258 24 46 VAL C C 173.73 0.4 1 259 24 46 VAL CA C 60.071 0.4 1 260 24 46 VAL CB C 34.939 0.4 1 261 24 46 VAL CG1 C 21.548 0.4 1 262 24 46 VAL CG2 C 21.946 0.4 1 263 24 46 VAL N N 117.890 0.4 1 264 25 47 CYS H H 8.776 0.02 1 265 25 47 CYS HA H 5.269 0.02 1 266 25 47 CYS HB2 H 3.196 0.02 1 267 25 47 CYS HB3 H 3.446 0.02 1 268 25 47 CYS C C 177.22 0.4 1 269 25 47 CYS CA C 54.721 0.4 1 270 25 47 CYS CB C 33.005 0.4 1 271 25 47 CYS N N 126.843 0.4 1 272 26 48 PRO HA H 4.803 0.02 1 273 26 48 PRO HB2 H 2.152 0.02 1 274 26 48 PRO HB3 H 2.338 0.02 1 275 26 48 PRO HG2 H 2.081 0.02 1 276 26 48 PRO HG3 H 2.413 0.02 1 277 26 48 PRO HD2 H 4.146 0.02 1 278 26 48 PRO HD3 H 4.367 0.02 1 279 26 48 PRO C C 176.60 0.4 1 280 26 48 PRO CA C 63.913 0.4 1 281 26 48 PRO CB C 32.405 0.4 1 282 26 48 PRO CG C 27.407 0.4 1 283 26 48 PRO CD C 51.134 0.4 1 284 26 48 PRO N N 141.90 0.4 1 285 27 49 GLU H H 9.241 0.02 1 286 27 49 GLU HA H 4.424 0.02 1 287 27 49 GLU HB2 H 2.081 0.02 1 288 27 49 GLU HB3 H 2.196 0.02 1 289 27 49 GLU HG2 H 2.151 0.02 1 290 27 49 GLU HG3 H 2.340 0.02 1 291 27 49 GLU C C 177.34 0.4 1 292 27 49 GLU CA C 59.010 0.4 1 293 27 49 GLU CB C 31.017 0.4 1 294 27 49 GLU CG C 37.210 0.4 1 295 27 49 GLU N N 123.276 0.4 1 296 28 50 CYS H H 9.290 0.02 1 297 28 50 CYS HA H 5.040 0.02 1 298 28 50 CYS HB2 H 2.619 0.02 1 299 28 50 CYS HB3 H 3.232 0.02 1 300 28 50 CYS C C 176.54 0.4 1 301 28 50 CYS CA C 58.699 0.4 1 302 28 50 CYS CB C 32.002 0.4 1 303 28 50 CYS N N 121.422 0.4 1 304 29 51 ALA H H 7.754 0.02 1 305 29 51 ALA HA H 4.384 0.02 1 306 29 51 ALA HB H 1.603 0.02 1 307 29 51 ALA C C 176.43 0.4 1 308 29 51 ALA CA C 54.298 0.4 1 309 29 51 ALA CB C 17.196 0.4 1 310 29 51 ALA N N 121.519 0.4 1 311 30 52 HIS H H 8.857 0.02 1 312 30 52 HIS HA H 4.521 0.02 1 313 30 52 HIS HB2 H 3.194 0.02 1 314 30 52 HIS HB3 H 3.323 0.02 1 315 30 52 HIS HE1 H 7.076 0.02 1 316 30 52 HIS C C 172.64 0.4 1 317 30 52 HIS CA C 58.362 0.4 1 318 30 52 HIS CB C 31.335 0.4 1 319 30 52 HIS N N 123.880 0.4 1 320 31 53 GLU H H 7.076 0.02 1 321 31 53 GLU HA H 5.732 0.02 1 322 31 53 GLU HB2 H 1.793 0.02 1 323 31 53 GLU HB3 H 1.873 0.02 1 324 31 53 GLU HG2 H 2.190 0.02 1 325 31 53 GLU HG3 H 2.360 0.02 1 326 31 53 GLU C C 175.74 0.4 1 327 31 53 GLU CA C 53.627 0.4 1 328 31 53 GLU CB C 32.989 0.4 1 329 31 53 GLU CG C 36.000 0.4 1 330 31 53 GLU N N 121.832 0.4 1 331 32 54 TRP H H 9.333 0.02 1 332 32 54 TRP HA H 4.823 0.02 1 333 32 54 TRP HB2 H 3.102 0.02 1 334 32 54 TRP HB3 H 3.195 0.02 1 335 32 54 TRP HD1 H 6.926 0.02 1 336 32 54 TRP HE1 H 9.778 0.02 1 337 32 54 TRP HZ2 H 7.050 0.02 1 338 32 54 TRP HZ3 H 6.376 0.02 1 339 32 54 TRP HH2 H 6.79 0.02 1 340 32 54 TRP C C 172.150 0.4 1 341 32 54 TRP CA C 56.475 0.4 1 342 32 54 TRP CB C 32.755 0.4 1 343 32 54 TRP CD1 C 127.8 0.4 1 344 32 54 TRP CZ2 C 109.531 0.4 1 345 32 54 TRP CZ3 C 120.530 0.4 1 346 32 54 TRP CH2 C 118.351 0.4 1 347 32 54 TRP N N 124.329 0.4 1 348 32 54 TRP NE1 N 128.248 0.4 1 349 33 55 SER H H 8.439 0.02 1 350 33 55 SER HA H 4.933 0.02 1 351 33 55 SER HB2 H 3.785 0.02 1 352 33 55 SER HB3 H 3.852 0.02 1 353 33 55 SER C C 173.975 0.4 1 354 33 55 SER CA C 54.131 0.4 1 355 33 55 SER CB C 63.964 0.4 1 356 33 55 SER N N 114.147 0.4 1 357 34 56 PRO HA H 4.483 0.02 1 358 34 56 PRO HB2 H 2.004 0.02 1 359 34 56 PRO HB3 H 2.184 0.02 1 360 34 56 PRO HG2 H 1.848 0.02 1 361 34 56 PRO HG3 H 1.956 0.02 1 362 34 56 PRO HD2 H 3.443 0.02 1 363 34 56 PRO HD3 H 3.849 0.02 1 364 34 56 PRO C C 176.47 0.4 1 365 34 56 PRO CA C 63.145 0.4 1 366 34 56 PRO CB C 32.148 0.4 1 367 34 56 PRO CG C 27.009 0.4 1 368 34 56 PRO CD C 50.830 0.4 1 369 34 56 PRO N N 138.15 0.4 1 370 35 57 ASN H H 8.391 0.02 1 371 35 57 ASN HA H 4.716 0.02 1 372 35 57 ASN HB2 H 2.727 0.02 1 373 35 57 ASN HB3 H 2.835 0.02 1 374 35 57 ASN HD21 H 6.968 0.02 1 375 35 57 ASN HD22 H 7.625 0.02 1 376 35 57 ASN C C 175.30 0.4 1 377 35 57 ASN CA C 53.241 0.4 1 378 35 57 ASN CB C 38.957 0.4 1 379 35 57 ASN N N 118.049 0.4 1 380 35 57 ASN ND2 N 113.289 0.4 1 381 36 58 GLU H H 8.267 0.02 1 382 36 58 GLU HA H 4.260 0.02 1 383 36 58 GLU HB2 H 1.997 0.02 1 384 36 58 GLU HB3 H 2.095 0.02 1 385 36 58 GLU HG2 H 2.294 0.02 1 386 36 58 GLU HG3 H 2.290 0.02 1 387 36 58 GLU C C 176.23 0.4 1 388 36 58 GLU CA C 56.631 0.4 1 389 36 58 GLU CB C 30.282 0.4 1 390 36 58 GLU CG C 36.211 0.4 1 391 36 58 GLU N N 121.479 0.4 1 392 37 59 ALA H H 8.300 0.02 1 393 37 59 ALA HA H 4.307 0.02 1 394 37 59 ALA HB H 1.402 0.02 1 395 37 59 ALA C C 177.60 0.4 1 396 37 59 ALA CA C 52.343 0.4 1 397 37 59 ALA CB C 19.348 0.4 1 398 37 59 ALA N N 124.972 0.4 1 399 38 60 ALA H H 8.252 0.02 1 400 38 60 ALA HA H 4.330 0.02 1 401 38 60 ALA HB H 1.403 0.02 1 402 38 60 ALA C C 177.57 0.4 1 403 38 60 ALA CA C 52.456 0.4 1 404 38 60 ALA CB C 19.280 0.4 1 405 38 60 ALA N N 123.430 0.4 1 406 39 61 THR H H 8.088 0.02 1 407 39 61 THR HA H 4.316 0.02 1 408 39 61 THR HB H 4.217 0.02 1 409 39 61 THR HG2 H 1.190 0.02 1 410 39 61 THR C C 174.36 0.4 1 411 39 61 THR CA C 61.475 0.4 1 412 39 61 THR CB C 69.729 0.4 1 413 39 61 THR CG2 C 21.728 0.4 1 414 39 61 THR N N 113.249 0.4 1 415 40 62 ALA H H 8.311 0.02 1 416 40 62 ALA HA H 4.361 0.02 1 417 40 62 ALA HB H 1.410 0.02 1 418 40 62 ALA C C 177.73 0.4 1 419 40 62 ALA CA C 52.484 0.4 1 420 40 62 ALA CB C 19.270 0.4 1 421 40 62 ALA N N 126.707 0.4 1 422 41 63 SER H H 8.330 0.02 1 423 41 63 SER HA H 4.419 0.02 1 424 41 63 SER HB2 H 3.819 0.02 1 425 41 63 SER HB3 H 3.883 0.02 1 426 41 63 SER C C 174.390 0.4 1 427 41 63 SER CA C 58.184 0.4 1 428 41 63 SER CB C 63.715 0.4 1 429 41 63 SER N N 115.473 0.4 1 430 42 64 ASP H H 8.370 0.02 1 431 42 64 ASP HA H 4.640 0.02 1 432 42 64 ASP HB2 H 2.651 0.02 1 433 42 64 ASP HB3 H 2.701 0.02 1 434 42 64 ASP C C 175.0 0.4 1 435 42 64 ASP CA C 54.368 0.4 1 436 42 64 ASP CB C 41.219 0.4 1 437 42 64 ASP N N 122.651 0.4 1 438 43 65 ASP H H 8.256 0.02 1 439 43 65 ASP HA H 4.577 0.02 1 440 43 65 ASP HB2 H 2.671 0.02 1 441 43 65 ASP HB3 H 2.671 0.02 1 442 43 65 ASP C C 176.9 0.4 1 443 43 65 ASP CA C 54.533 0.4 1 444 43 65 ASP CB C 41.039 0.4 1 445 43 65 ASP N N 121.110 0.4 1 446 44 66 GLY H H 8.362 0.02 1 447 44 66 GLY HA2 H 3.898 0.02 1 448 44 66 GLY HA3 H 3.898 0.02 1 449 44 66 GLY C C 174.05 0.4 1 450 44 66 GLY CA C 45.408 0.4 1 451 44 66 GLY N N 109.057 0.4 1 452 45 67 LYS H H 8.130 0.02 1 453 45 67 LYS HA H 4.298 0.02 1 454 45 67 LYS HB2 H 1.753 0.02 1 455 45 67 LYS HB3 H 1.753 0.02 1 456 45 67 LYS HG2 H 1.313 0.02 1 457 45 67 LYS HG3 H 1.383 0.02 1 458 45 67 LYS HD2 H 1.599 0.02 1 459 45 67 LYS HD3 H 1.651 0.02 1 460 45 67 LYS HE2 H 2.973 0.02 1 461 45 67 LYS HE3 H 2.973 0.02 1 462 45 67 LYS C C 176.09 0.4 1 463 45 67 LYS CA C 56.203 0.4 1 464 45 67 LYS CB C 33.005 0.4 1 465 45 67 LYS CG C 24.856 0.4 1 466 45 67 LYS CD C 29.331 0.4 1 467 45 67 LYS CE C 41.983 0.4 1 468 45 67 LYS N N 121.246 0.4 1 469 46 68 VAL H H 8.110 0.02 1 470 46 68 VAL HA H 4.107 0.02 1 471 46 68 VAL HB H 1.992 0.02 1 472 46 68 VAL HG1 H 0.881 0.02 1 473 46 68 VAL HG2 H 0.894 0.02 1 474 46 68 VAL C C 174.96 0.4 1 475 46 68 VAL CA C 61.757 0.4 1 476 46 68 VAL CB C 33.208 0.4 1 477 46 68 VAL CG1 C 21.962 0.4 1 478 46 68 VAL CG2 C 20.829 0.4 1 479 46 68 VAL N N 122.964 0.4 1 480 47 69 ILE H H 9.043 0.02 1 481 47 69 ILE HA H 4.163 0.02 1 482 47 69 ILE HB H 1.746 0.02 1 483 47 69 ILE HG12 H 1.206 0.02 1 484 47 69 ILE HG13 H 1.466 0.02 1 485 47 69 ILE HG2 H 0.778 0.02 1 486 47 69 ILE HD1 H 0.901 0.02 1 487 47 69 ILE C C 174.26 0.4 1 488 47 69 ILE CA C 60.492 0.4 1 489 47 69 ILE CB C 38.152 0.4 1 490 47 69 ILE CG1 C 28.030 0.4 1 491 47 69 ILE CG2 C 18.069 0.4 1 492 47 69 ILE CD1 C 13.482 0.4 1 493 47 69 ILE N N 130.023 0.4 1 494 48 70 LYS H H 8.400 0.02 1 495 48 70 LYS HA H 5.257 0.02 1 496 48 70 LYS HB2 H 1.457 0.02 1 497 48 70 LYS HB3 H 1.586 0.02 1 498 48 70 LYS HG2 H 1.000 0.02 1 499 48 70 LYS HG3 H 1.245 0.02 1 500 48 70 LYS HD2 H 1.491 0.02 1 501 48 70 LYS HD3 H 1.596 0.02 1 502 48 70 LYS HE2 H 2.802 0.02 1 503 48 70 LYS HE3 H 2.802 0.02 1 504 48 70 LYS C C 174.09 0.4 1 505 48 70 LYS CA C 60.492 0.4 1 506 48 70 LYS CB C 38.152 0.4 1 507 48 70 LYS CG C 26.053 0.4 1 508 48 70 LYS CD C 28.983 0.4 1 509 48 70 LYS CE C 42.111 0.4 1 510 48 70 LYS N N 125.518 0.4 1 511 49 71 ASP H H 8.588 0.02 1 512 49 71 ASP HA H 4.623 0.02 1 513 49 71 ASP HB2 H 2.418 0.02 1 514 49 71 ASP HB3 H 3.544 0.02 1 515 49 71 ASP C C 178.35 0.4 1 516 49 71 ASP CA C 51.946 0.4 1 517 49 71 ASP CB C 41.631 0.4 1 518 49 71 ASP N N 118.886 0.4 1 519 50 72 SER H H 7.936 0.02 1 520 50 72 SER HA H 4.065 0.02 1 521 50 72 SER HB2 H 3.920 0.02 1 522 50 72 SER HB3 H 4.140 0.02 1 523 50 72 SER C C 175.820 0.4 1 524 50 72 SER CA C 61.140 0.4 1 525 50 72 SER CB C 64.471 0.4 1 526 50 72 SER N N 109.409 0.4 1 527 51 73 VAL H H 7.934 0.02 1 528 51 73 VAL HA H 4.677 0.02 1 529 51 73 VAL HB H 2.477 0.02 1 530 51 73 VAL HG1 H 0.885 0.02 1 531 51 73 VAL HG2 H 0.886 0.02 1 532 51 73 VAL C C 176.13 0.4 1 533 51 73 VAL CA C 60.251 0.4 1 534 51 73 VAL CB C 32.038 0.4 1 535 51 73 VAL CG1 C 20.401 0.4 1 536 51 73 VAL CG2 C 21.712 0.4 1 537 51 73 VAL N N 113.795 0.4 1 538 52 74 GLY H H 7.802 0.02 1 539 52 74 GLY HA2 H 3.530 0.02 1 540 52 74 GLY HA3 H 4.384 0.02 1 541 52 74 GLY C C 174.79 0.4 1 542 52 74 GLY CA C 45.565 0.4 1 543 52 74 GLY N N 109.466 0.4 1 544 53 75 ASN H H 9.203 0.02 1 545 53 75 ASN HA H 4.648 0.02 1 546 53 75 ASN HB2 H 2.359 0.02 1 547 53 75 ASN HB3 H 2.760 0.02 1 548 53 75 ASN HD21 H 9.387 0.02 1 549 53 75 ASN HD22 H 7.127 0.02 1 550 53 75 ASN C C 174.40 0.4 1 551 53 75 ASN CA C 53.282 0.4 1 552 53 75 ASN CB C 38.380 0.4 1 553 53 75 ASN N N 121.638 0.4 1 554 53 75 ASN ND2 N 121.832 0.4 1 555 54 76 VAL H H 8.681 0.02 1 556 54 76 VAL HA H 3.915 0.02 1 557 54 76 VAL HB H 1.910 0.02 1 558 54 76 VAL HG1 H 0.927 0.02 1 559 54 76 VAL HG2 H 0.957 0.02 1 560 54 76 VAL C C 176.33 0.4 1 561 54 76 VAL CA C 63.925 0.4 1 562 54 76 VAL CB C 32.093 0.4 1 563 54 76 VAL CG1 C 21.580 0.4 1 564 54 76 VAL CG2 C 22.476 0.4 1 565 54 76 VAL N N 123.624 0.4 1 566 55 77 LEU H H 8.623 0.02 1 567 55 77 LEU HA H 4.581 0.02 1 568 55 77 LEU HB2 H 1.114 0.02 1 569 55 77 LEU HB3 H 1.520 0.02 1 570 55 77 LEU HG H 0.801 0.02 1 571 55 77 LEU HD1 H 0.530 0.02 1 572 55 77 LEU HD2 H 0.780 0.02 1 573 55 77 LEU C C 174.654 0.4 1 574 55 77 LEU CA C 53.45 0.4 1 575 55 77 LEU CB C 44.605 0.4 1 576 55 77 LEU CG C 26.626 0.4 1 577 55 77 LEU CD1 C 26.049 0.4 1 578 55 77 LEU CD2 C 23.623 0.4 1 579 55 77 LEU N N 128.697 0.4 1 580 56 78 GLN H H 8.698 0.02 1 581 56 78 GLN HA H 4.564 0.02 1 582 56 78 GLN HB2 H 1.829 0.02 1 583 56 78 GLN HB3 H 1.829 0.02 1 584 56 78 GLN HG2 H 2.257 0.02 1 585 56 78 GLN HG3 H 2.257 0.02 1 586 56 78 GLN HE21 H 6.819 0.02 1 587 56 78 GLN HE22 H 7.390 0.02 1 588 56 78 GLN C C 174.50 0.4 1 589 56 78 GLN CA C 53.598 0.4 1 590 56 78 GLN CB C 33.192 0.4 1 591 56 78 GLN N N 118.340 0.4 1 592 56 78 GLN NE2 N 112.379 0.4 1 593 57 79 ASP H H 8.512 0.02 1 594 57 79 ASP HA H 4.415 0.02 1 595 57 79 ASP HB2 H 2.514 0.02 1 596 57 79 ASP HB3 H 2.607 0.02 1 597 57 79 ASP C C 178.35 0.4 1 598 57 79 ASP CA C 56.148 0.4 1 599 57 79 ASP CB C 40.596 0.4 1 600 57 79 ASP N N 120.973 0.4 1 601 58 80 GLY H H 9.523 0.02 1 602 58 80 GLY HA2 H 3.859 0.02 1 603 58 80 GLY HA3 H 4.503 0.02 1 604 58 80 GLY C C 174.97 0.4 1 605 58 80 GLY CA C 44.807 0.4 1 606 58 80 GLY N N 111.593 0.4 1 607 59 81 ASP H H 7.795 0.02 1 608 59 81 ASP HA H 4.679 0.02 1 609 59 81 ASP HB2 H 2.559 0.02 1 610 59 81 ASP HB3 H 2.701 0.02 1 611 59 81 ASP C C 174.47 0.4 1 612 59 81 ASP CA C 55.472 0.4 1 613 59 81 ASP CB C 41.563 0.4 1 614 59 81 ASP N N 123.100 0.4 1 615 60 82 THR H H 8.770 0.02 1 616 60 82 THR HA H 5.320 0.02 1 617 60 82 THR HB H 3.974 0.02 1 618 60 82 THR HG2 H 1.122 0.02 1 619 60 82 THR C C 174.43 0.4 1 620 60 82 THR CA C 60.976 0.4 1 621 60 82 THR CB C 69.674 0.4 1 622 60 82 THR CG2 C 22.320 0.4 1 623 60 82 THR N N 115.217 0.4 1 624 61 83 ILE H H 8.959 0.02 1 625 61 83 ILE HA H 5.327 0.02 1 626 61 83 ILE HB H 1.846 0.02 1 627 61 83 ILE HG12 H 0.902 0.02 1 628 61 83 ILE HG13 H 1.434 0.02 1 629 61 83 ILE HG2 H 0.742 0.02 1 630 61 83 ILE HD1 H 0.658 0.02 1 631 61 83 ILE C C 174.92 0.4 1 632 61 83 ILE CA C 57.170 0.4 1 633 61 83 ILE CB C 43.692 0.4 1 634 61 83 ILE CG1 C 27.204 0.4 1 635 61 83 ILE CG2 C 21.455 0.4 1 636 61 83 ILE CD1 C 15.496 0.4 1 637 61 83 ILE N N 116.917 0.4 1 638 62 84 THR H H 9.132 0.02 1 639 62 84 THR HA H 5.330 0.02 1 640 62 84 THR HB H 3.704 0.02 1 641 62 84 THR HG2 H 1.041 0.02 1 642 62 84 THR C C 174.13 0.4 1 643 62 84 THR CA C 59.422 0.4 1 644 62 84 THR CB C 70.837 0.4 1 645 62 84 THR CG2 C 21.282 0.4 1 646 62 84 THR N N 113.641 0.4 1 647 63 85 VAL H H 8.177 0.02 1 648 63 85 VAL HA H 4.430 0.02 1 649 63 85 VAL HB H 2.051 0.02 1 650 63 85 VAL HG1 H 0.843 0.02 1 651 63 85 VAL HG2 H 1.098 0.02 1 652 63 85 VAL C C 178.13 0.4 1 653 63 85 VAL CA C 62.913 0.4 1 654 63 85 VAL CB C 32.928 0.4 1 655 63 85 VAL CG1 C 21.664 0.4 1 656 63 85 VAL CG2 C 22.695 0.4 1 657 63 85 VAL N N 125.029 0.4 1 658 64 86 ILE H H 8.436 0.02 1 659 64 86 ILE HA H 4.496 0.02 1 660 64 86 ILE HB H 2.324 0.02 1 661 64 86 ILE HG12 H 1.117 0.02 1 662 64 86 ILE HG13 H 1.117 0.02 1 663 64 86 ILE HG2 H 0.770 0.02 1 664 64 86 ILE HD1 H 0.984 0.02 1 665 64 86 ILE C C 174.59 0.4 1 666 64 86 ILE CA C 61.663 0.4 1 667 64 86 ILE CB C 38.115 0.4 1 668 64 86 ILE CG1 C 26.540 0.4 1 669 64 86 ILE CG2 C 19.653 0.4 1 670 64 86 ILE CD1 C 14.863 0.4 1 671 64 86 ILE N N 118.595 0.4 1 672 65 87 LYS H H 7.568 0.02 1 673 65 87 LYS HA H 4.352 0.02 1 674 65 87 LYS HB2 H 1.627 0.02 1 675 65 87 LYS HB3 H 1.627 0.02 1 676 65 87 LYS HG2 H 1.122 0.02 1 677 65 87 LYS HG3 H 1.122 0.02 1 678 65 87 LYS HD2 H 1.217 0.02 1 679 65 87 LYS HD3 H 1.369 0.02 1 680 65 87 LYS HE2 H 2.426 0.02 1 681 65 87 LYS HE3 H 2.594 0.02 1 682 65 87 LYS C C 172.28 0.4 1 683 65 87 LYS CA C 54.751 0.4 1 684 65 87 LYS CB C 35.545 0.4 1 685 65 87 LYS CG C 23.514 0.4 1 686 65 87 LYS CD C 29.392 0.4 1 687 65 87 LYS CE C 41.672 0.4 1 688 65 87 LYS N N 120.700 0.4 1 689 66 88 ASP H H 8.145 0.02 1 690 66 88 ASP HA H 4.940 0.02 1 691 66 88 ASP HB2 H 2.236 0.02 1 692 66 88 ASP HB3 H 2.446 0.02 1 693 66 88 ASP C C 176.89 0.4 1 694 66 88 ASP CA C 54.455 0.4 1 695 66 88 ASP CB C 40.736 0.4 1 696 66 88 ASP N N 119.912 0.4 1 697 67 89 LEU H H 8.857 0.02 1 698 67 89 LEU HA H 4.564 0.02 1 699 67 89 LEU HB2 H 1.389 0.02 1 700 67 89 LEU HB3 H 1.499 0.02 1 701 67 89 LEU HG H 1.721 0.02 1 702 67 89 LEU HD1 H 0.644 0.02 1 703 67 89 LEU HD2 H 0.800 0.02 1 704 67 89 LEU C C 175.47 0.4 1 705 67 89 LEU CA C 53.407 0.4 1 706 67 89 LEU CB C 44.316 0.4 1 707 67 89 LEU CG C 25.651 0.4 1 708 67 89 LEU CD1 C 20.902 0.4 1 709 67 89 LEU CD2 C 26.633 0.4 1 710 67 89 LEU N N 123.840 0.4 1 711 68 90 LYS H H 8.375 0.02 1 712 68 90 LYS HA H 4.382 0.02 1 713 68 90 LYS HB2 H 1.651 0.02 1 714 68 90 LYS HB3 H 1.822 0.02 1 715 68 90 LYS HG2 H 1.335 0.02 1 716 68 90 LYS HG3 H 1.442 0.02 1 717 68 90 LYS HD2 H 1.55 0.02 1 718 68 90 LYS HD3 H 1.55 0.02 1 719 68 90 LYS HE2 H 2.941 0.02 1 720 68 90 LYS HE3 H 2.941 0.02 1 721 68 90 LYS C C 176.17 0.4 1 722 68 90 LYS CA C 56.194 0.4 1 723 68 90 LYS CB C 32.914 0.4 1 724 68 90 LYS CG C 25.145 0.4 1 725 68 90 LYS CD C 29.300 0.4 1 726 68 90 LYS CE C 41.906 0.4 1 727 68 90 LYS N N 123.800 0.4 1 728 69 91 VAL H H 8.193 0.02 1 729 69 91 VAL HA H 3.955 0.02 1 730 69 91 VAL HB H 1.918 0.02 1 731 69 91 VAL HG1 H 0.778 0.02 1 732 69 91 VAL HG2 H 0.901 0.02 1 733 69 91 VAL C C 175.99 0.4 1 734 69 91 VAL CA C 61.991 0.4 1 735 69 91 VAL CB C 32.112 0.4 1 736 69 91 VAL CG1 C 21.555 0.4 1 737 69 91 VAL CG2 C 21.876 0.4 1 738 69 91 VAL N N 125.557 0.4 1 739 70 92 LYS H H 8.564 0.02 1 740 70 92 LYS HA H 4.046 0.02 1 741 70 92 LYS HB2 H 1.770 0.02 1 742 70 92 LYS HB3 H 1.803 0.02 1 743 70 92 LYS HG2 H 1.400 0.02 1 744 70 92 LYS HG3 H 1.470 0.02 1 745 70 92 LYS HD2 H 1.690 0.02 1 746 70 92 LYS HD3 H 1.690 0.02 1 747 70 92 LYS HE2 H 2.980 0.02 1 748 70 92 LYS HE3 H 2.980 0.02 1 749 70 92 LYS C C 177.72 0.4 1 750 70 92 LYS CA C 57.957 0.4 1 751 70 92 LYS CB C 32.100 0.4 1 752 70 92 LYS CG C 25.000 0.4 1 753 70 92 LYS CD C 29.424 0.4 1 754 70 92 LYS CE C 42.250 0.4 1 755 70 92 LYS N N 129.107 0.4 1 756 71 93 GLY H H 8.900 0.02 1 757 71 93 GLY HA2 H 3.766 0.02 1 758 71 93 GLY HA3 H 4.101 0.02 1 759 71 93 GLY C C 173.63 0.4 1 760 71 93 GLY CA C 45.751 0.4 1 761 71 93 GLY N N 113.095 0.4 1 762 72 94 SER H H 7.900 0.02 1 763 72 94 SER HA H 4.809 0.02 1 764 72 94 SER HB2 H 3.600 0.02 1 765 72 94 SER HB3 H 3.880 0.02 1 766 72 94 SER C C 173.52 0.4 1 767 72 94 SER CA C 56.164 0.4 1 768 72 94 SER CB C 65.272 0.4 1 769 72 94 SER N N 114.147 0.4 1 770 73 95 SER H H 8.471 0.02 1 771 73 95 SER HA H 4.588 0.02 1 772 73 95 SER HB2 H 3.883 0.02 1 773 73 95 SER HB3 H 3.983 0.02 1 774 73 95 SER C C 174.59 0.4 1 775 73 95 SER CA C 58.135 0.4 1 776 73 95 SER CB C 63.652 0.4 1 777 73 95 SER N N 116.292 0.4 1 778 74 96 LEU H H 8.207 0.02 1 779 74 96 LEU HA H 4.290 0.02 1 780 74 96 LEU HB2 H 1.312 0.02 1 781 74 96 LEU HB3 H 1.599 0.02 1 782 74 96 LEU HG H 1.583 0.02 1 783 74 96 LEU HD1 H 0.859 0.02 1 784 74 96 LEU HD2 H 0.928 0.02 1 785 74 96 LEU C C 175.73 0.4 1 786 74 96 LEU CA C 55.297 0.4 1 787 74 96 LEU CB C 42.662 0.4 1 788 74 96 LEU CG C 27.150 0.4 1 789 74 96 LEU CD1 C 25.464 0.4 1 790 74 96 LEU CD2 C 23.318 0.4 1 791 74 96 LEU N N 123.465 0.4 1 792 75 97 VAL H H 7.963 0.02 1 793 75 97 VAL HA H 4.574 0.02 1 794 75 97 VAL HB H 1.767 0.02 1 795 75 97 VAL HG1 H 0.645 0.02 1 796 75 97 VAL HG2 H 0.808 0.02 1 797 75 97 VAL C C 175.56 0.4 1 798 75 97 VAL CA C 60.077 0.4 1 799 75 97 VAL CB C 35.626 0.4 1 800 75 97 VAL CG1 C 20.878 0.4 1 801 75 97 VAL CG2 C 21.346 0.4 1 802 75 97 VAL N N 120.427 0.4 1 803 76 98 VAL H H 9.008 0.02 1 804 76 98 VAL HA H 4.013 0.02 1 805 76 98 VAL HB H 2.125 0.02 1 806 76 98 VAL HG1 H 0.810 0.02 1 807 76 98 VAL HG2 H 0.901 0.02 1 808 76 98 VAL C C 174.90 0.4 1 809 76 98 VAL CA C 61.397 0.4 1 810 76 98 VAL CB C 31.515 0.4 1 811 76 98 VAL CG1 C 21.566 0.4 1 812 76 98 VAL CG2 C 21.862 0.4 1 813 76 98 VAL N N 127.469 0.4 1 814 77 99 LYS H H 8.085 0.02 1 815 77 99 LYS HA H 4.411 0.02 1 816 77 99 LYS HB2 H 1.609 0.02 1 817 77 99 LYS HB3 H 1.776 0.02 1 818 77 99 LYS HG2 H 1.414 0.02 1 819 77 99 LYS HG3 H 1.492 0.02 1 820 77 99 LYS HD2 H 1.600 0.02 1 821 77 99 LYS HD3 H 1.633 0.02 1 822 77 99 LYS HE2 H 2.997 0.02 1 823 77 99 LYS HE3 H 2.997 0.02 1 824 77 99 LYS C C 178.55 0.4 1 825 77 99 LYS CA C 55.375 0.4 1 826 77 99 LYS CB C 33.451 0.4 1 827 77 99 LYS CG C 24.886 0.4 1 828 77 99 LYS CD C 28.367 0.4 1 829 77 99 LYS CE C 41.600 0.4 1 830 77 99 LYS N N 125.302 0.4 1 831 78 100 VAL H H 8.731 0.02 1 832 78 100 VAL HA H 3.395 0.02 1 833 78 100 VAL HB H 1.828 0.02 1 834 78 100 VAL HG1 H 0.857 0.02 1 835 78 100 VAL HG2 H 0.892 0.02 1 836 78 100 VAL C C 175.60 0.4 1 837 78 100 VAL CA C 63.504 0.4 1 838 78 100 VAL CB C 31.561 0.4 1 839 78 100 VAL CG1 C 22.110 0.4 1 840 78 100 VAL CG2 C 20.183 0.4 1 841 78 100 VAL N N 122.611 0.4 1 842 79 101 GLY H H 8.780 0.02 1 843 79 101 GLY HA2 H 3.544 0.02 1 844 79 101 GLY HA3 H 4.359 0.02 1 845 79 101 GLY C C 174.58 0.4 1 846 79 101 GLY CA C 44.457 0.4 1 847 79 101 GLY N N 115.143 0.4 1 848 80 102 THR H H 7.789 0.02 1 849 80 102 THR HA H 3.923 0.02 1 850 80 102 THR HB H 3.784 0.02 1 851 80 102 THR HG2 H 1.177 0.02 1 852 80 102 THR C C 172.81 0.4 1 853 80 102 THR CA C 65.383 0.4 1 854 80 102 THR CB C 69.363 0.4 1 855 80 102 THR CG2 C 21.041 0.4 1 856 80 102 THR N N 118.595 0.4 1 857 81 103 LYS H H 8.755 0.02 1 858 81 103 LYS HA H 5.077 0.02 1 859 81 103 LYS HB2 H 1.620 0.02 1 860 81 103 LYS HB3 H 1.788 0.02 1 861 81 103 LYS HG2 H 1.247 0.02 1 862 81 103 LYS HG3 H 1.434 0.02 1 863 81 103 LYS HD2 H 1.678 0.02 1 864 81 103 LYS HD3 H 1.678 0.02 1 865 81 103 LYS HE2 H 2.946 0.02 1 866 81 103 LYS HE3 H 2.946 0.02 1 867 81 103 LYS C C 175.76 0.4 1 868 81 103 LYS CA C 55.259 0.4 1 869 81 103 LYS CB C 33.645 0.4 1 870 81 103 LYS CG C 25.341 0.4 1 871 81 103 LYS CD C 29.401 0.4 1 872 81 103 LYS CE C 42.156 0.4 1 873 81 103 LYS N N 129.027 0.4 1 874 82 104 VAL H H 9.172 0.02 1 875 82 104 VAL HA H 4.294 0.02 1 876 82 104 VAL HB H 1.755 0.02 1 877 82 104 VAL HG1 H 0.700 0.02 1 878 82 104 VAL HG2 H 0.913 0.02 1 879 82 104 VAL C C 174.14 0.4 1 880 82 104 VAL CA C 61.345 0.4 1 881 82 104 VAL CB C 33.613 0.4 1 882 82 104 VAL CG1 C 20.768 0.4 1 883 82 104 VAL CG2 C 21.892 0.4 1 884 82 104 VAL N N 126.354 0.4 1 885 83 105 LYS H H 8.597 0.02 1 886 83 105 LYS HA H 4.727 0.02 1 887 83 105 LYS HB2 H 1.709 0.02 1 888 83 105 LYS HB3 H 1.800 0.02 1 889 83 105 LYS HG2 H 1.504 0.02 1 890 83 105 LYS HG3 H 1.504 0.02 1 891 83 105 LYS HD2 H 1.690 0.02 1 892 83 105 LYS HD3 H 1.690 0.02 1 893 83 105 LYS HE2 H 2.962 0.02 1 894 83 105 LYS HE3 H 2.962 0.02 1 895 83 105 LYS C C 176.12 0.4 1 896 83 105 LYS CA C 55.338 0.4 1 897 83 105 LYS CB C 34.946 0.4 1 898 83 105 LYS CG C 24.957 0.4 1 899 83 105 LYS CD C 29.424 0.4 1 900 83 105 LYS CE C 41.900 0.4 1 901 83 105 LYS N N 124.602 0.4 1 902 84 106 ASN H H 8.643 0.02 1 903 84 106 ASN HA H 4.052 0.02 1 904 84 106 ASN HB2 H 2.566 0.02 1 905 84 106 ASN HB3 H 3.109 0.02 1 906 84 106 ASN HD21 H 6.885 0.02 1 907 84 106 ASN HD22 H 7.598 0.02 1 908 84 106 ASN C C 174.83 0.4 1 909 84 106 ASN CA C 53.457 0.4 1 910 84 106 ASN CB C 37.117 0.4 1 911 84 106 ASN N N 116.605 0.4 1 912 84 106 ASN ND2 N 112.509 0.4 1 913 85 107 ILE H H 7.984 0.02 1 914 85 107 ILE HA H 4.072 0.02 1 915 85 107 ILE HB H 1.809 0.02 1 916 85 107 ILE HG12 H 1.313 0.02 1 917 85 107 ILE HG13 H 1.445 0.02 1 918 85 107 ILE HG2 H 0.817 0.02 1 919 85 107 ILE HD1 H 0.719 0.02 1 920 85 107 ILE C C 176.06 0.4 1 921 85 107 ILE CA C 63.449 0.4 1 922 85 107 ILE CB C 39.745 0.4 1 923 85 107 ILE CG1 C 24.911 0.4 1 924 85 107 ILE CG2 C 18.272 0.4 1 925 85 107 ILE CD1 C 15.557 0.4 1 926 85 107 ILE N N 110.774 0.4 1 927 86 108 ARG H H 8.256 0.02 1 928 86 108 ARG HA H 4.955 0.02 1 929 86 108 ARG HB2 H 1.735 0.02 1 930 86 108 ARG HB3 H 1.840 0.02 1 931 86 108 ARG HG2 H 1.526 0.02 1 932 86 108 ARG HG3 H 1.656 0.02 1 933 86 108 ARG HD2 H 3.192 0.02 1 934 86 108 ARG HD3 H 3.192 0.02 1 935 86 108 ARG C C 174.46 0.4 1 936 86 108 ARG CA C 54.240 0.4 1 937 86 108 ARG CB C 33.021 0.4 1 938 86 108 ARG CG C 27.368 0.4 1 939 86 108 ARG CD C 43.162 0.4 1 940 86 108 ARG N N 121.149 0.4 1 941 87 109 LEU H H 9.021 0.02 1 942 87 109 LEU HA H 4.938 0.02 1 943 87 109 LEU HB2 H 1.363 0.02 1 944 87 109 LEU HB3 H 1.823 0.02 1 945 87 109 LEU HG H 1.570 0.02 1 946 87 109 LEU HD1 H 0.648 0.02 1 947 87 109 LEU HD2 H 0.737 0.02 1 948 87 109 LEU C C 177.72 0.4 1 949 87 109 LEU CA C 54.133 0.4 1 950 87 109 LEU CB C 41.039 0.4 1 951 87 109 LEU CG C 27.398 0.4 1 952 87 109 LEU CD1 C 23.473 0.4 1 953 87 109 LEU CD2 C 25.457 0.4 1 954 87 109 LEU N N 125.225 0.4 1 955 88 110 VAL H H 8.644 0.02 1 956 88 110 VAL HA H 4.477 0.02 1 957 88 110 VAL HB H 2.104 0.02 1 958 88 110 VAL HG1 H 0.664 0.02 1 959 88 110 VAL HG2 H 0.789 0.02 1 960 88 110 VAL CA C 59.923 0.4 1 961 88 110 VAL CB C 35.376 0.4 1 962 88 110 VAL CG1 C 19.450 0.4 1 963 88 110 VAL CG2 C 22.062 0.4 1 964 88 110 VAL N N 119.471 0.4 1 965 89 111 ASP H H 8.701 0.02 1 966 89 111 ASP HA H 4.640 0.02 1 967 89 111 ASP HB2 H 2.562 0.02 1 968 89 111 ASP HB3 H 2.666 0.02 1 969 89 111 ASP C C 176.04 0.4 1 970 89 111 ASP CA C 54.06 0.4 1 971 89 111 ASP CB C 41.688 0.4 1 972 90 112 GLY H H 8.131 0.02 1 973 90 112 GLY HA2 H 3.813 0.02 1 974 90 112 GLY HA3 H 4.281 0.02 1 975 90 112 GLY C C 173.54 0.4 1 976 90 112 GLY CA C 44.746 0.4 1 977 90 112 GLY N N 109.819 0.4 1 978 91 113 ASP H H 8.393 0.02 1 979 91 113 ASP HA H 4.388 0.02 1 980 91 113 ASP HB2 H 2.630 0.02 1 981 91 113 ASP HB3 H 2.630 0.02 1 982 91 113 ASP C C 176.24 0.4 1 983 91 113 ASP CA C 55.406 0.4 1 984 91 113 ASP CB C 40.953 0.4 1 985 91 113 ASP N N 120.017 0.4 1 986 92 114 HIS H H 7.880 0.02 1 987 92 114 HIS HA H 4.38 0.02 1 988 92 114 HIS HB2 H 2.941 0.02 1 989 92 114 HIS HB3 H 2.941 0.02 1 990 92 114 HIS HE1 H 7.735 0.02 1 991 92 114 HIS C C 172.95 0.4 1 992 92 114 HIS CA C 54.306 0.4 1 993 92 114 HIS CB C 29.520 0.4 1 994 92 114 HIS CE1 C 136.827 0.4 1 995 92 114 HIS N N 116.798 0.4 1 996 93 115 ASP H H 8.186 0.02 1 997 93 115 ASP HA H 4.764 0.02 1 998 93 115 ASP HB2 H 2.769 0.02 1 999 93 115 ASP HB3 H 2.937 0.02 1 1000 93 115 ASP C C 176.52 0.4 1 1001 93 115 ASP CA C 53.979 0.4 1 1002 93 115 ASP CB C 41.531 0.4 1 1003 93 115 ASP N N 119.102 0.4 1 1004 94 116 ILE H H 8.295 0.02 1 1005 94 116 ILE HA H 4.727 0.02 1 1006 94 116 ILE HB H 1.586 0.02 1 1007 94 116 ILE HG12 H 1.402 0.02 1 1008 94 116 ILE HG2 H 0.716 0.02 1 1009 94 116 ILE HD1 H 0.502 0.02 1 1010 94 116 ILE C C 176.16 0.4 1 1011 94 116 ILE CA C 59.932 0.4 1 1012 94 116 ILE CB C 40.493 0.4 1 1013 94 116 ILE CG1 C 26.774 0.4 1 1014 94 116 ILE CG2 C 18.147 0.4 1 1015 94 116 ILE CD1 C 14.995 0.4 1 1016 94 116 ILE N N 117.794 0.4 1 1017 95 117 ASP H H 9.404 0.02 1 1018 95 117 ASP HA H 5.214 0.02 1 1019 95 117 ASP HB2 H 2.389 0.02 1 1020 95 117 ASP HB3 H 2.686 0.02 1 1021 95 117 ASP C C 175.56 0.4 1 1022 95 117 ASP CA C 53.441 0.4 1 1023 95 117 ASP CB C 43.817 0.4 1 1024 95 117 ASP N N 128.578 0.4 1 1025 96 118 CYS H H 8.545 0.02 1 1026 96 118 CYS HA H 5.095 0.02 1 1027 96 118 CYS HB2 H 2.699 0.02 1 1028 96 118 CYS HB3 H 2.848 0.02 1 1029 96 118 CYS C C 172.44 0.4 1 1030 96 118 CYS CA C 56.264 0.4 1 1031 96 118 CYS CB C 31.663 0.4 1 1032 96 118 CYS N N 118.965 0.4 1 1033 97 119 LYS H H 8.600 0.02 1 1034 97 119 LYS HA H 4.710 0.02 1 1035 97 119 LYS HB2 H 1.661 0.02 1 1036 97 119 LYS HB3 H 1.661 0.02 1 1037 97 119 LYS HG2 H 1.1175 0.02 1 1038 97 119 LYS HG3 H 1.312 0.02 1 1039 97 119 LYS HD2 H 1.664 0.02 1 1040 97 119 LYS HD3 H 1.664 0.02 1 1041 97 119 LYS HE2 H 2.954 0.02 1 1042 97 119 LYS HE3 H 2.954 0.02 1 1043 97 119 LYS CA C 55.507 0.4 1 1044 97 119 LYS CB C 34.168 0.4 1 1045 97 119 LYS CG C 25.283 0.4 1 1046 97 119 LYS CD C 29.283 0.4 1 1047 97 119 LYS CE C 41.968 0.4 1 1048 97 119 LYS N N 120.933 0.4 1 1049 98 120 ILE H H 8.296 0.02 1 1050 98 120 ILE HA H 4.385 0.02 1 1051 98 120 ILE HB H 1.630 0.02 1 1052 98 120 ILE HG12 H 1.003 0.02 1 1053 98 120 ILE HG13 H 1.576 0.02 1 1054 98 120 ILE HG2 H 0.944 0.02 1 1055 98 120 ILE HD1 H 0.767 0.02 1 1056 98 120 ILE C C 176.60 0.4 1 1057 98 120 ILE CA C 59.868 0.4 1 1058 98 120 ILE CB C 39.995 0.4 1 1059 98 120 ILE CG1 C 27.953 0.4 1 1060 98 120 ILE CG2 C 17.218 0.4 1 1061 98 120 ILE CD1 C 14.252 0.4 1 1062 98 120 ILE N N 123.254 0.4 1 1063 99 121 ASP H H 9.145 0.02 1 1064 99 121 ASP HA H 4.333 0.02 1 1065 99 121 ASP HB2 H 2.660 0.02 1 1066 99 121 ASP HB3 H 2.660 0.02 1 1067 99 121 ASP C C 176.56 0.4 1 1068 99 121 ASP CA C 56.710 0.4 1 1069 99 121 ASP CB C 40.252 0.4 1 1070 99 121 ASP N N 132.167 0.4 1 1071 100 122 GLY H H 8.851 0.02 1 1072 100 122 GLY HA2 H 3.628 0.02 1 1073 100 122 GLY HA3 H 4.260 0.02 1 1074 100 122 GLY C C 173.60 0.4 1 1075 100 122 GLY CA C 45.440 0.4 1 1076 100 122 GLY N N 113.232 0.4 1 1077 101 123 ILE H H 7.920 0.02 1 1078 101 123 ILE HA H 4.134 0.02 1 1079 101 123 ILE HB H 1.578 0.02 1 1080 101 123 ILE HG12 H 1.089 0.02 1 1081 101 123 ILE HG13 H 1.369 0.02 1 1082 101 123 ILE HG2 H 0.746 0.02 1 1083 101 123 ILE HD1 H 0.738 0.02 1 1084 101 123 ILE C C 175.50 0.4 1 1085 101 123 ILE CA C 61.866 0.4 1 1086 101 123 ILE CB C 40.411 0.4 1 1087 101 123 ILE CG1 C 27.696 0.4 1 1088 101 123 ILE CG2 C 17.257 0.4 1 1089 101 123 ILE CD1 C 12.702 0.4 1 1090 101 123 ILE N N 120.621 0.4 1 1091 102 124 GLY H H 8.633 0.02 1 1092 102 124 GLY HA2 H 3.674 0.02 1 1093 102 124 GLY HA3 H 4.509 0.02 1 1094 102 124 GLY C C 172.91 0.4 1 1095 102 124 GLY CA C 43.551 0.4 1 1096 102 124 GLY N N 107.868 0.4 1 1097 103 125 ALA H H 8.435 0.02 1 1098 103 125 ALA HA H 4.775 0.02 1 1099 103 125 ALA HB H 1.379 0.02 1 1100 103 125 ALA C C 177.61 0.4 1 1101 103 125 ALA CA C 52.318 0.4 1 1102 103 125 ALA CB C 19.255 0.4 1 1103 103 125 ALA N N 124.795 0.4 1 1104 104 126 MET H H 8.795 0.02 1 1105 104 126 MET HA H 4.677 0.02 1 1106 104 126 MET HB2 H 1.782 0.02 1 1107 104 126 MET HB3 H 1.782 0.02 1 1108 104 126 MET HG2 H 2.237 0.02 1 1109 104 126 MET HG3 H 2.345 0.02 1 1110 104 126 MET HE H 0.770 0.02 1 1111 104 126 MET C C 173.49 0.4 1 1112 104 126 MET CA C 54.604 0.4 1 1113 104 126 MET CB C 36.009 0.4 1 1114 104 126 MET CG C 32.077 0.4 1 1115 104 126 MET N N 121.519 0.4 1 1116 105 127 LYS H H 7.922 0.02 1 1117 105 127 LYS HA H 5.439 0.02 1 1118 105 127 LYS HB2 H 1.349 0.02 1 1119 105 127 LYS HB3 H 1.472 0.02 1 1120 105 127 LYS HG2 H 1.320 0.02 1 1121 105 127 LYS HG3 H 1.411 0.02 1 1122 105 127 LYS HD2 H 1.524 0.02 1 1123 105 127 LYS HD3 H 1.591 0.02 1 1124 105 127 LYS HE2 H 2.911 0.02 1 1125 105 127 LYS HE3 H 2.911 0.02 1 1126 105 127 LYS C C 176.14 0.4 1 1127 105 127 LYS CA C 54.151 0.4 1 1128 105 127 LYS CB C 34.026 0.4 1 1129 105 127 LYS CG C 24.933 0.4 1 1130 105 127 LYS CD C 29.294 0.4 1 1131 105 127 LYS CE C 42.09 0.4 1 1132 105 127 LYS N N 121.110 0.4 1 1133 106 128 LEU H H 9.224 0.02 1 1134 106 128 LEU HA H 4.910 0.02 1 1135 106 128 LEU HB2 H 1.370 0.02 1 1136 106 128 LEU HB3 H 1.434 0.02 1 1137 106 128 LEU HG H 1.454 0.02 1 1138 106 128 LEU HD1 H 0.700 0.02 1 1139 106 128 LEU HD2 H 0.787 0.02 1 1140 106 128 LEU C C 175.49 0.4 1 1141 106 128 LEU CA C 52.870 0.4 1 1142 106 128 LEU CB C 46.024 0.4 1 1143 106 128 LEU CG C 27.195 0.4 1 1144 106 128 LEU CD1 C 26.759 0.4 1 1145 106 128 LEU CD2 C 24.435 0.4 1 1146 106 128 LEU N N 121.656 0.4 1 1147 107 129 LYS H H 7.644 0.02 1 1148 107 129 LYS HA H 4.803 0.02 1 1149 107 129 LYS HB2 H 1.938 0.02 1 1150 107 129 LYS HB3 H 1.938 0.02 1 1151 107 129 LYS HG2 H 1.397 0.02 1 1152 107 129 LYS HG3 H 1.400 0.02 1 1153 107 129 LYS HD2 H 1.546 0.02 1 1154 107 129 LYS HD3 H 1.546 0.02 1 1155 107 129 LYS HE2 H 2.763 0.02 1 1156 107 129 LYS HE3 H 2.683 0.02 1 1157 107 129 LYS C C 177.91 0.4 1 1158 107 129 LYS CA C 55.589 0.4 1 1159 107 129 LYS CB C 33.870 0.4 1 1160 107 129 LYS CD C 29.540 0.4 1 1161 107 129 LYS CE C 41.851 0.4 1 1162 107 129 LYS N N 118.946 0.4 1 1163 108 130 SER HA H 3.853 0.02 1 1164 108 130 SER HB2 H 3.736 0.02 1 1165 108 130 SER HB3 H 3.736 0.02 1 1166 108 130 SER C C 175.74 0.4 1 1167 108 130 SER CA C 61.343 0.4 1 1168 108 130 SER CB C 61.343 0.4 1 1169 109 131 GLU H H 8.268 0.02 1 1170 109 131 GLU HA H 4.009 0.02 1 1171 109 131 GLU HB2 H 1.397 0.02 1 1172 109 131 GLU HB3 H 1.498 0.02 1 1173 109 131 GLU HG2 H 1.593 0.02 1 1174 109 131 GLU HG3 H 1.834 0.02 1 1175 109 131 GLU C C 176.09 0.4 1 1176 109 131 GLU CA C 57.902 0.4 1 1177 109 131 GLU CB C 35.306 0.4 1 1178 109 131 GLU CG C 28.873 0.4 1 1179 109 131 GLU N N 117.970 0.4 1 1180 110 132 PHE H H 7.949 0.02 1 1181 110 132 PHE HA H 5.062 0.02 1 1182 110 132 PHE HB2 H 3.025 0.02 1 1183 110 132 PHE HB3 H 3.730 0.02 1 1184 110 132 PHE HD1 H 7.204 0.02 1 1185 110 132 PHE HD2 H 7.204 0.02 1 1186 110 132 PHE HE1 H 7.365 0.02 1 1187 110 132 PHE HE2 H 7.365 0.02 1 1188 110 132 PHE C C 175.5 0.4 1 1189 110 132 PHE CA C 55.477 0.4 1 1190 110 132 PHE CB C 39.160 0.4 1 1191 110 132 PHE CD1 C 131.316 0.4 1 1192 110 132 PHE CD2 C 131.316 0.4 1 1193 110 132 PHE CE1 C 131.498 0.4 1 1194 110 132 PHE CE2 C 131.498 0.4 1 1195 110 132 PHE N N 116.098 0.4 1 1196 111 133 VAL H H 7.728 0.02 1 1197 111 133 VAL HA H 5.795 0.02 1 1198 111 133 VAL HB H 2.204 0.02 1 1199 111 133 VAL HG1 H 0.836 0.02 1 1200 111 133 VAL HG2 H 0.975 0.02 1 1201 111 133 VAL C C 175.85 0.4 1 1202 111 133 VAL CA C 57.809 0.4 1 1203 111 133 VAL CB C 35.884 0.4 1 1204 111 133 VAL CG1 C 21.314 0.4 1 1205 111 133 VAL CG2 C 18.522 0.4 1 1206 111 133 VAL N N 110.831 0.4 1 1207 112 134 ARG H H 9.288 0.02 1 1208 112 134 ARG HA H 4.809 0.02 1 1209 112 134 ARG HB2 H 1.373 0.02 1 1210 112 134 ARG HB3 H 1.684 0.02 1 1211 112 134 ARG HG2 H 1.499 0.02 1 1212 112 134 ARG HG3 H 1.617 0.02 1 1213 112 134 ARG HD2 H 3.056 0.02 1 1214 112 134 ARG HD3 H 3.168 0.02 1 1215 112 134 ARG C C 174.62 0.4 1 1216 112 134 ARG CA C 55.067 0.4 1 1217 112 134 ARG CB C 34.400 0.4 1 1218 112 134 ARG CG C 27.361 0.4 1 1219 112 134 ARG CD C 43.490 0.4 1 1220 112 134 ARG N N 123.470 0.4 1 1221 113 135 LYS H H 10.681 0.02 1 1222 113 135 LYS HA H 4.291 0.02 1 1223 113 135 LYS HB2 H 1.654 0.02 1 1224 113 135 LYS HB3 H 1.654 0.02 1 1225 113 135 LYS HG2 H 1.375 0.02 1 1226 113 135 LYS HG3 H 1.260 0.02 1 1227 113 135 LYS HE2 H 2.894 0.02 1 1228 113 135 LYS HE3 H 2.894 0.02 1 1229 113 135 LYS C C 175.89 0.4 1 1230 113 135 LYS CA C 58.168 0.4 1 1231 113 135 LYS CB C 33.754 0.4 1 1232 113 135 LYS CG C 25.717 0.4 1 1233 113 135 LYS CD C 30.272 0.4 1 1234 113 135 LYS CE C 42.195 0.4 1 1235 113 135 LYS N N 130.159 0.4 1 1236 114 136 VAL H H 8.412 0.02 1 1237 114 136 VAL HA H 4.218 0.02 1 1238 114 136 VAL HB H 1.832 0.02 1 1239 114 136 VAL HG1 H 0.778 0.02 1 1240 114 136 VAL HG2 H 0.884 0.02 1 1241 114 136 VAL C C 175.78 0.4 1 1242 114 136 VAL CA C 61.686 0.4 1 1243 114 136 VAL CB C 32.965 0.4 1 1244 114 136 VAL CG1 C 21.562 0.4 1 1245 114 136 VAL CG2 C 21.384 0.4 1 1246 114 136 VAL N N 126.394 0.4 1 1247 115 137 GLY H H 8.476 0.02 1 1248 115 137 GLY HA2 H 3.952 0.02 1 1249 115 137 GLY HA3 H 4.019 0.02 1 1250 115 137 GLY C C 173.17 0.4 1 1251 115 137 GLY CA C 45.339 0.4 1 1252 115 137 GLY N N 113.738 0.4 1 1253 116 138 SER H H 7.874 0.02 1 1254 116 138 SER HA H 4.296 0.02 1 1255 116 138 SER HB2 H 3.796 0.02 1 1256 116 138 SER HB3 H 3.877 0.02 1 1257 116 138 SER C C 178.78 0.4 1 1258 116 138 SER CA C 59.682 0.4 1 1259 116 138 SER CB C 64.797 0.4 1 1260 116 138 SER N N 120.876 0.4 1 stop_ save_