data_6053 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of the N-terminal 16kDa domain of Escherichia coli Ada Protein ; _BMRB_accession_number 6053 _BMRB_flat_file_name bmr6053.str _Entry_type original _Submission_date 2003-12-18 _Accession_date 2003-12-18 _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 Takinowaki Hiroto . . 2 Matsuda Yasuhiro . . 3 Yoshida Takuya . . 4 Kobayashi Yuji . . 5 Ohkubo Tadayasu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 800 "13C chemical shifts" 586 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-07-06 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6054 'methylated protein' stop_ _Original_release_date 2004-07-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editer: 1H, 13C and 15N resonance assignments of the N-terminal 16 kDa domain of Escherichia coli Ada Protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15213462 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Takinowaki Hiroto . . 2 Matsuda Yasuhiro . . 3 Yoshida Takuya . . 4 Kobayashi Yuji . . 5 Ohkubo Tadayasu . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 447 _Page_last 448 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_N-Ada16k _Saveframe_category molecular_system _Mol_system_name 'the N-terminal 16kDa domain of Ada Protein' _Abbreviation_common N-Ada16k _Enzyme_commission_number 2.1.1.63 loop_ _Mol_system_component_name _Mol_label N-Ada16k $N-Ada16k 'ZINC (II) ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'other bound and free' loop_ _Biological_function 'DNA methyltransferase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_N-Ada16k _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Escherichia coli Ada Protein' _Abbreviation_common Ada _Molecular_mass . _Mol_thiol_state 'other bound and free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 146 _Mol_residue_sequence ; MKKATCLTDDQRWQSVLARD PNADGEFVFAVRTTGIFCRP SCRARHALRENVSFYANASE ALAAGFRPCKRCQPEKANAQ QHRLDKITHACRLLEQETPV TLEALADQVAMSPFHLHRLF KATTGMTPKAWQQAWRARRL RESLAK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 LYS 4 ALA 5 THR 6 CYS 7 LEU 8 THR 9 ASP 10 ASP 11 GLN 12 ARG 13 TRP 14 GLN 15 SER 16 VAL 17 LEU 18 ALA 19 ARG 20 ASP 21 PRO 22 ASN 23 ALA 24 ASP 25 GLY 26 GLU 27 PHE 28 VAL 29 PHE 30 ALA 31 VAL 32 ARG 33 THR 34 THR 35 GLY 36 ILE 37 PHE 38 CYS 39 ARG 40 PRO 41 SER 42 CYS 43 ARG 44 ALA 45 ARG 46 HIS 47 ALA 48 LEU 49 ARG 50 GLU 51 ASN 52 VAL 53 SER 54 PHE 55 TYR 56 ALA 57 ASN 58 ALA 59 SER 60 GLU 61 ALA 62 LEU 63 ALA 64 ALA 65 GLY 66 PHE 67 ARG 68 PRO 69 CYS 70 LYS 71 ARG 72 CYS 73 GLN 74 PRO 75 GLU 76 LYS 77 ALA 78 ASN 79 ALA 80 GLN 81 GLN 82 HIS 83 ARG 84 LEU 85 ASP 86 LYS 87 ILE 88 THR 89 HIS 90 ALA 91 CYS 92 ARG 93 LEU 94 LEU 95 GLU 96 GLN 97 GLU 98 THR 99 PRO 100 VAL 101 THR 102 LEU 103 GLU 104 ALA 105 LEU 106 ALA 107 ASP 108 GLN 109 VAL 110 ALA 111 MET 112 SER 113 PRO 114 PHE 115 HIS 116 LEU 117 HIS 118 ARG 119 LEU 120 PHE 121 LYS 122 ALA 123 THR 124 THR 125 GLY 126 MET 127 THR 128 PRO 129 LYS 130 ALA 131 TRP 132 GLN 133 GLN 134 ALA 135 TRP 136 ARG 137 ALA 138 ARG 139 ARG 140 LEU 141 ARG 142 GLU 143 SER 144 LEU 145 ALA 146 LYS stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 SWISS-PROT P06134 'Regulatory protein ada (Regulatory protein of adaptative response) [Contains: Methylated-DNA--protein-cysteine methyltransferase (O-6-methylguanine-DNA alkyltransferase)]' 100.00 354 100.00 100.00 7.20e-82 REF YP_001724427 'AraC family transcriptional regulator [Escherichia coli ATCC 8739]' 100.00 354 99.32 99.32 1.67e-81 REF NP_416717 'fused DNA-binding transcriptional dual regulator/O6-methylguanine-DNA methyltransferase [Escherichia coli str. K-12 substr. MG1655]' 100.00 354 100.00 100.00 7.20e-82 REF NP_311129 'O6-methylguanine-DNA methyltransferase [Escherichia coli O157:H7 str. Sakai]' 100.00 354 98.63 99.32 6.19e-81 REF NP_288793 'O6-methylguanine-DNA methyltransferase; transcription activator/repressor [Escherichia coli O157:H7 EDL933]' 100.00 354 98.63 99.32 6.19e-81 REF AP_002809 'fused DNA-binding transcriptional dual regulator and O6-methylguanine-DNA methyltransferase [Escherichia coli W3110]' 100.00 354 100.00 100.00 7.20e-82 GenBank ACA77100 'transcriptional regulator, AraC family [Escherichia coli ATCC 8739]' 100.00 354 99.32 99.32 1.67e-81 GenBank AAG57348 'O6-methylguanine-DNA methyltransferase; transcription activator/repressor [Escherichia coli O157:H7 EDL933]' 100.00 354 98.63 99.32 6.19e-81 GenBank AAC75273 'fused DNA-binding transcriptional dual regulator/O6-methylguanine-DNA methyltransferase [Escherichia coli str. K-12 substr. MG1655]' 100.00 354 100.00 100.00 7.20e-82 GenBank AAA23412 'Ada regulatory protein' 100.00 354 99.32 99.32 3.54e-81 GenBank AAA16408 'ada [Escherichia coli]' 100.00 354 100.00 100.00 7.20e-82 DBJ BAB36525 'O6-methylguanine-DNA methyltransferase [Escherichia coli O157:H7 str. Sakai]' 100.00 354 98.63 99.32 6.19e-81 DBJ BAA15996 'fused DNA-binding transcriptional dual regulator and O6-methylguanine-DNA methyltransferase [Escherichia coli W3110]' 100.00 354 100.00 100.00 7.20e-82 PDB 1WPK 'Methylated Form Of N-Terminal Transcriptional Regulator Domain Of Escherichia Coli Ada Protein' 100.00 146 99.32 99.32 1.02e-79 BMRB 6054 'Escherichia coli Ada Protein' 100.00 146 99.32 99.32 1.02e-79 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 Thu Jun 16 16:02:10 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 $N-Ada16k 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $N-Ada16k 'recombinant technology' 'E. coli' Escherichia coli K12 plasmid pET22b 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 $N-Ada16k 1.0 mM '[U-98% 13C; U-98% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label $sample_1 save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $sample_1 save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 n/a temperature 303 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name N-Ada16k _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 LYS HA H 4.34 0.01 1 2 . 2 LYS HB2 H 1.83 0.01 1 3 . 2 LYS HB3 H 1.83 0.01 1 4 . 2 LYS C C 176.04 0.05 1 5 . 2 LYS CA C 56.25 0.05 1 6 . 2 LYS CB C 33.20 0.05 1 7 . 3 LYS H H 8.46 0.01 1 8 . 3 LYS HA H 4.38 0.01 1 9 . 3 LYS HB2 H 1.85 0.01 1 10 . 3 LYS HB3 H 1.85 0.01 1 11 . 3 LYS C C 176.14 0.05 1 12 . 3 LYS CA C 56.30 0.05 1 13 . 3 LYS CB C 33.42 0.05 1 14 . 3 LYS N N 124.08 0.05 1 15 . 4 ALA H H 8.40 0.01 1 16 . 4 ALA HA H 4.38 0.01 1 17 . 4 ALA HB H 1.42 0.01 1 18 . 4 ALA C C 177.59 0.05 1 19 . 4 ALA CA C 52.53 0.05 1 20 . 4 ALA CB C 19.39 0.05 1 21 . 4 ALA N N 126.24 0.05 1 22 . 5 THR H H 8.40 0.01 1 23 . 5 THR HA H 4.36 0.01 1 24 . 5 THR HB H 4.22 0.01 1 25 . 5 THR HG2 H 1.25 0.01 1 26 . 5 THR C C 174.65 0.05 1 27 . 5 THR CA C 62.22 0.05 1 28 . 5 THR CB C 69.92 0.05 1 29 . 5 THR CG2 C 22.11 0.05 1 30 . 5 THR N N 114.25 0.05 1 31 . 6 CYS H H 8.68 0.01 1 32 . 6 CYS HA H 4.52 0.01 1 33 . 6 CYS HB2 H 2.93 0.01 1 34 . 6 CYS HB3 H 2.72 0.01 1 35 . 6 CYS C C 174.15 0.05 1 36 . 6 CYS CA C 58.38 0.05 1 37 . 6 CYS CB C 28.52 0.05 1 38 . 6 CYS N N 122.23 0.05 1 39 . 7 LEU H H 8.35 0.01 1 40 . 7 LEU HA H 4.47 0.01 1 41 . 7 LEU HB2 H 1.65 0.01 1 42 . 7 LEU HB3 H 1.53 0.01 1 43 . 7 LEU HG H 1.67 0.01 1 44 . 7 LEU HD1 H 0.93 0.01 1 45 . 7 LEU HD2 H 0.83 0.01 1 46 . 7 LEU C C 177.57 0.05 1 47 . 7 LEU CA C 55.59 0.05 1 48 . 7 LEU CB C 43.72 0.05 1 49 . 7 LEU CG C 27.33 0.05 1 50 . 7 LEU CD1 C 25.48 0.05 1 51 . 7 LEU CD2 C 23.59 0.05 1 52 . 7 LEU N N 123.70 0.05 1 53 . 8 THR H H 7.94 0.01 1 54 . 8 THR HA H 4.50 0.01 1 55 . 8 THR HB H 4.56 0.01 1 56 . 8 THR HG2 H 1.21 0.01 1 57 . 8 THR C C 175.07 0.05 1 58 . 8 THR CA C 60.00 0.05 1 59 . 8 THR CB C 71.39 0.05 1 60 . 8 THR CG2 C 21.75 0.05 1 61 . 8 THR N N 110.65 0.05 1 62 . 9 ASP H H 8.89 0.01 1 63 . 9 ASP HA H 3.85 0.01 1 64 . 9 ASP HB2 H 2.61 0.01 1 65 . 9 ASP HB3 H 2.61 0.01 1 66 . 9 ASP C C 177.60 0.05 1 67 . 9 ASP CA C 57.38 0.05 1 68 . 9 ASP CB C 39.76 0.05 1 69 . 9 ASP N N 122.37 0.05 1 70 . 10 ASP H H 8.12 0.01 1 71 . 10 ASP HA H 4.49 0.01 1 72 . 10 ASP HB2 H 2.72 0.01 1 73 . 10 ASP HB3 H 2.60 0.01 1 74 . 10 ASP C C 179.02 0.05 1 75 . 10 ASP CA C 57.61 0.05 1 76 . 10 ASP CB C 40.54 0.05 1 77 . 10 ASP N N 119.03 0.05 1 78 . 11 GLN H H 7.61 0.01 1 79 . 11 GLN HA H 4.03 0.01 1 80 . 11 GLN HB2 H 2.22 0.01 1 81 . 11 GLN HB3 H 2.07 0.01 1 82 . 11 GLN HG2 H 2.43 0.01 1 83 . 11 GLN HG3 H 2.43 0.01 1 84 . 11 GLN HE21 H 7.47 0.01 1 85 . 11 GLN HE22 H 6.77 0.01 1 86 . 11 GLN C C 179.40 0.05 1 87 . 11 GLN CA C 58.94 0.05 1 88 . 11 GLN CB C 28.92 0.05 1 89 . 11 GLN CG C 34.65 0.05 1 90 . 11 GLN N N 120.08 0.05 1 91 . 11 GLN NE2 N 111.49 0.05 1 92 . 12 ARG H H 8.02 0.01 1 93 . 12 ARG HA H 3.56 0.01 1 94 . 12 ARG HB2 H 0.56 0.01 1 95 . 12 ARG HB3 H -0.18 0.01 1 96 . 12 ARG HG2 H 1.15 0.01 1 97 . 12 ARG HG3 H 0.10 0.01 1 98 . 12 ARG HD2 H 2.09 0.01 1 99 . 12 ARG HD3 H 1.73 0.01 1 100 . 12 ARG HE H 6.47 0.01 1 101 . 12 ARG C C 178.00 0.05 1 102 . 12 ARG CA C 59.76 0.05 1 103 . 12 ARG CB C 29.10 0.05 1 104 . 12 ARG CG C 28.66 0.05 1 105 . 12 ARG CD C 43.48 0.05 1 106 . 12 ARG N N 120.52 0.05 1 107 . 12 ARG NE N 109.99 0.05 1 108 . 13 TRP H H 8.35 0.01 1 109 . 13 TRP HA H 4.69 0.01 1 110 . 13 TRP HB2 H 3.41 0.01 1 111 . 13 TRP HB3 H 3.35 0.01 1 112 . 13 TRP HD1 H 7.27 0.01 1 113 . 13 TRP HE1 H 10.31 0.01 1 114 . 13 TRP HE3 H 7.37 0.01 1 115 . 13 TRP HZ2 H 7.52 0.01 1 116 . 13 TRP HZ3 H 6.50 0.01 1 117 . 13 TRP HH2 H 7.11 0.01 1 118 . 13 TRP C C 177.11 0.05 1 119 . 13 TRP CA C 59.01 0.05 1 120 . 13 TRP CB C 30.44 0.05 1 121 . 13 TRP CD1 C 126.78 0.05 1 122 . 13 TRP CE3 C 119.74 0.05 1 123 . 13 TRP CZ2 C 114.95 0.05 1 124 . 13 TRP CZ3 C 121.57 0.05 1 125 . 13 TRP CH2 C 123.90 0.05 1 126 . 13 TRP N N 118.85 0.05 1 127 . 13 TRP NE1 N 128.96 0.05 1 128 . 14 GLN H H 7.79 0.01 1 129 . 14 GLN HA H 3.73 0.01 1 130 . 14 GLN HB2 H 2.18 0.01 1 131 . 14 GLN HB3 H 2.18 0.01 1 132 . 14 GLN HG2 H 2.55 0.01 1 133 . 14 GLN HG3 H 2.55 0.01 1 134 . 14 GLN HE21 H 7.58 0.01 1 135 . 14 GLN HE22 H 6.86 0.01 1 136 . 14 GLN C C 179.42 0.05 1 137 . 14 GLN CA C 59.06 0.05 1 138 . 14 GLN CB C 27.93 0.05 1 139 . 14 GLN CG C 34.01 0.05 1 140 . 14 GLN N N 115.89 0.05 1 141 . 14 GLN NE2 N 112.85 0.05 1 142 . 15 SER H H 7.83 0.01 1 143 . 15 SER HA H 4.36 0.01 1 144 . 15 SER HB2 H 3.89 0.01 1 145 . 15 SER HB3 H 3.89 0.01 1 146 . 15 SER C C 175.00 0.05 1 147 . 15 SER CA C 63.37 0.05 1 148 . 15 SER CB C 63.21 0.05 1 149 . 15 SER N N 116.66 0.05 1 150 . 16 VAL H H 7.69 0.01 1 151 . 16 VAL HA H 3.75 0.01 1 152 . 16 VAL HB H 1.88 0.01 1 153 . 16 VAL HG1 H 1.15 0.01 1 154 . 16 VAL HG2 H -0.13 0.01 1 155 . 16 VAL C C 179.08 0.05 1 156 . 16 VAL CA C 66.09 0.05 1 157 . 16 VAL CB C 31.08 0.05 1 158 . 16 VAL CG1 C 24.56 0.05 1 159 . 16 VAL CG2 C 21.12 0.05 1 160 . 16 VAL N N 122.81 0.05 1 161 . 17 LEU H H 8.06 0.01 1 162 . 17 LEU HA H 3.38 0.01 1 163 . 17 LEU HB2 H 1.45 0.01 1 164 . 17 LEU HB3 H 1.10 0.01 1 165 . 17 LEU HG H 0.43 0.01 1 166 . 17 LEU HD1 H 0.59 0.01 1 167 . 17 LEU HD2 H 0.30 0.01 1 168 . 17 LEU C C 179.58 0.05 1 169 . 17 LEU CA C 57.49 0.05 1 170 . 17 LEU CB C 41.61 0.05 1 171 . 17 LEU CG C 25.69 0.05 1 172 . 17 LEU CD1 C 25.59 0.05 1 173 . 17 LEU CD2 C 22.20 0.05 1 174 . 17 LEU N N 119.00 0.05 1 175 . 18 ALA H H 7.38 0.01 1 176 . 18 ALA HA H 4.18 0.01 1 177 . 18 ALA HB H 1.43 0.01 1 178 . 18 ALA C C 179.72 0.05 1 179 . 18 ALA CA C 52.13 0.05 1 180 . 18 ALA CB C 19.34 0.05 1 181 . 18 ALA N N 117.58 0.05 1 182 . 19 ARG H H 8.08 0.01 1 183 . 19 ARG HA H 4.28 0.01 1 184 . 19 ARG HB2 H 1.95 0.01 1 185 . 19 ARG HB3 H 1.49 0.01 1 186 . 19 ARG C C 179.72 0.05 1 187 . 19 ARG CA C 56.05 0.05 1 188 . 19 ARG CB C 28.30 0.05 1 189 . 19 ARG N N 120.77 0.05 1 190 . 20 ASP H H 7.61 0.01 1 191 . 20 ASP HA H 4.60 0.01 1 192 . 20 ASP HB2 H 2.87 0.01 1 193 . 20 ASP HB3 H 2.55 0.01 1 194 . 20 ASP CA C 51.87 0.05 1 195 . 20 ASP CB C 42.35 0.05 1 196 . 20 ASP N N 117.22 0.05 1 197 . 21 PRO HA H 4.40 0.01 1 198 . 21 PRO HB2 H 2.32 0.01 1 199 . 21 PRO HB3 H 2.04 0.01 1 200 . 21 PRO HG2 H 2.09 0.01 1 201 . 21 PRO HG3 H 2.01 0.01 1 202 . 21 PRO HD2 H 4.03 0.01 1 203 . 21 PRO HD3 H 4.44 0.01 1 204 . 21 PRO C C 179.43 0.05 1 205 . 21 PRO CA C 64.11 0.05 1 206 . 21 PRO CB C 32.17 0.05 1 207 . 21 PRO CG C 27.55 0.05 1 208 . 21 PRO CD C 51.14 0.05 1 209 . 22 ASN H H 8.52 0.01 1 210 . 22 ASN HA H 4.54 0.01 1 211 . 22 ASN HB2 H 2.97 0.01 1 212 . 22 ASN HB3 H 2.77 0.01 1 213 . 22 ASN HD21 H 7.02 0.01 1 214 . 22 ASN HD22 H 8.11 0.01 1 215 . 22 ASN C C 175.79 0.05 1 216 . 22 ASN CA C 55.23 0.05 1 217 . 22 ASN CB C 38.16 0.05 1 218 . 22 ASN N N 117.02 0.05 1 219 . 22 ASN ND2 N 115.37 0.05 1 220 . 23 ALA H H 7.74 0.01 1 221 . 23 ALA HA H 4.41 0.01 1 222 . 23 ALA HB H 1.49 0.01 1 223 . 23 ALA C C 177.21 0.05 1 224 . 23 ALA CA C 51.93 0.05 1 225 . 23 ALA CB C 19.32 0.05 1 226 . 23 ALA N N 120.32 0.05 1 227 . 24 ASP H H 7.22 0.01 1 228 . 24 ASP HA H 4.41 0.01 1 229 . 24 ASP HB2 H 2.97 0.01 1 230 . 24 ASP HB3 H 2.53 0.01 1 231 . 24 ASP C C 177.85 0.05 1 232 . 24 ASP CA C 56.61 0.05 1 233 . 24 ASP CB C 39.59 0.05 1 234 . 24 ASP N N 120.79 0.05 1 235 . 25 GLY H H 9.69 0.01 1 236 . 25 GLY HA2 H 4.33 0.01 1 237 . 25 GLY HA3 H 3.74 0.01 1 238 . 25 GLY C C 175.31 0.05 1 239 . 25 GLY CA C 45.32 0.05 1 240 . 25 GLY N N 112.08 0.05 1 241 . 26 GLU H H 8.37 0.01 1 242 . 26 GLU HA H 4.47 0.01 1 243 . 26 GLU HB2 H 2.46 0.01 1 244 . 26 GLU HB3 H 2.41 0.01 1 245 . 26 GLU HG2 H 2.51 0.01 1 246 . 26 GLU HG3 H 2.25 0.01 1 247 . 26 GLU C C 175.96 0.05 1 248 . 26 GLU CA C 58.01 0.05 1 249 . 26 GLU CB C 30.97 0.05 1 250 . 26 GLU CG C 36.90 0.05 1 251 . 26 GLU N N 120.97 0.05 1 252 . 27 PHE H H 7.29 0.01 1 253 . 27 PHE HA H 5.11 0.01 1 254 . 27 PHE HB2 H 3.60 0.01 1 255 . 27 PHE HB3 H 3.44 0.01 1 256 . 27 PHE HD1 H 7.27 0.01 1 257 . 27 PHE HD2 H 7.27 0.01 1 258 . 27 PHE HE1 H 7.35 0.01 1 259 . 27 PHE HE2 H 7.35 0.01 1 260 . 27 PHE HZ H 7.49 0.01 1 261 . 27 PHE C C 173.76 0.05 1 262 . 27 PHE CA C 56.31 0.05 1 263 . 27 PHE CB C 39.15 0.05 1 264 . 27 PHE CD1 C 132.77 0.05 1 265 . 27 PHE N N 110.20 0.05 1 266 . 28 VAL H H 9.02 0.01 1 267 . 28 VAL HA H 5.06 0.01 1 268 . 28 VAL HB H 2.38 0.01 1 269 . 28 VAL HG1 H 0.87 0.01 1 270 . 28 VAL HG2 H 0.44 0.01 1 271 . 28 VAL C C 174.84 0.05 1 272 . 28 VAL CA C 59.67 0.05 1 273 . 28 VAL CB C 35.05 0.05 1 274 . 28 VAL CG1 C 22.70 0.05 1 275 . 28 VAL CG2 C 20.10 0.05 1 276 . 28 VAL N N 109.65 0.05 1 277 . 29 PHE H H 9.15 0.01 1 278 . 29 PHE HA H 5.98 0.01 1 279 . 29 PHE HB2 H 3.11 0.01 1 280 . 29 PHE HB3 H 2.96 0.01 1 281 . 29 PHE HD1 H 6.90 0.01 1 282 . 29 PHE HD2 H 6.90 0.01 1 283 . 29 PHE HE1 H 7.47 0.01 1 284 . 29 PHE HE2 H 7.47 0.01 1 285 . 29 PHE HZ H 7.63 0.01 1 286 . 29 PHE C C 171.22 0.05 1 287 . 29 PHE CA C 54.87 0.05 1 288 . 29 PHE CB C 43.75 0.05 1 289 . 29 PHE CD1 C 131.61 0.05 1 290 . 29 PHE CD2 C 131.61 0.05 1 291 . 29 PHE CE1 C 132.01 0.05 1 292 . 29 PHE CE2 C 132.01 0.05 1 293 . 29 PHE CZ C 131.22 0.05 1 294 . 29 PHE N N 120.20 0.05 1 295 . 30 ALA H H 9.40 0.01 1 296 . 30 ALA HA H 4.85 0.01 1 297 . 30 ALA HB H 0.18 0.01 1 298 . 30 ALA C C 175.49 0.05 1 299 . 30 ALA CA C 49.95 0.05 1 300 . 30 ALA CB C 21.45 0.05 1 301 . 30 ALA N N 125.83 0.05 1 302 . 31 VAL H H 8.18 0.01 1 303 . 31 VAL HA H 4.72 0.01 1 304 . 31 VAL HB H 2.42 0.01 1 305 . 31 VAL HG1 H 1.21 0.01 1 306 . 31 VAL HG2 H 1.22 0.01 1 307 . 31 VAL C C 177.69 0.05 1 308 . 31 VAL CA C 61.81 0.05 1 309 . 31 VAL CB C 32.32 0.05 1 310 . 31 VAL CG1 C 23.37 0.05 1 311 . 31 VAL CG2 C 22.42 0.05 1 312 . 31 VAL N N 122.33 0.05 1 313 . 32 ARG H H 9.23 0.01 1 314 . 32 ARG HA H 4.29 0.01 1 315 . 32 ARG HB2 H 2.10 0.01 1 316 . 32 ARG HB3 H 2.10 0.01 1 317 . 32 ARG HG2 H 1.81 0.01 1 318 . 32 ARG HG3 H 1.81 0.01 1 319 . 32 ARG HD2 H 3.37 0.01 1 320 . 32 ARG HD3 H 3.35 0.01 1 321 . 32 ARG C C 177.78 0.05 1 322 . 32 ARG CA C 60.01 0.05 1 323 . 32 ARG CB C 30.78 0.05 1 324 . 32 ARG CG C 28.34 0.05 1 325 . 32 ARG CD C 43.39 0.05 1 326 . 32 ARG N N 127.65 0.05 1 327 . 33 THR H H 7.49 0.01 1 328 . 33 THR HA H 4.22 0.01 1 329 . 33 THR HB H 4.34 0.01 1 330 . 33 THR HG2 H 1.31 0.01 1 331 . 33 THR C C 176.18 0.05 1 332 . 33 THR CA C 63.31 0.05 1 333 . 33 THR CB C 68.09 0.05 1 334 . 33 THR CG2 C 23.88 0.05 1 335 . 33 THR N N 105.93 0.05 1 336 . 34 THR H H 7.15 0.01 1 337 . 34 THR HA H 4.58 0.01 1 338 . 34 THR HB H 4.37 0.01 1 339 . 34 THR HG2 H 1.27 0.01 1 340 . 34 THR C C 176.44 0.05 1 341 . 34 THR CA C 61.54 0.05 1 342 . 34 THR CB C 70.11 0.05 1 343 . 34 THR CG2 C 22.10 0.05 1 344 . 34 THR N N 108.11 0.05 1 345 . 35 GLY H H 8.52 0.01 1 346 . 35 GLY HA2 H 4.33 0.01 1 347 . 35 GLY HA3 H 3.95 0.01 1 348 . 35 GLY C C 173.88 0.05 1 349 . 35 GLY CA C 46.87 0.05 1 350 . 35 GLY N N 109.98 0.05 1 351 . 36 ILE H H 7.66 0.01 1 352 . 36 ILE HA H 5.55 0.01 1 353 . 36 ILE HB H 1.78 0.01 1 354 . 36 ILE HG12 H 1.48 0.01 1 355 . 36 ILE HG13 H 1.11 0.01 1 356 . 36 ILE HG2 H 0.89 0.01 1 357 . 36 ILE HD1 H 0.84 0.01 1 358 . 36 ILE C C 176.22 0.05 1 359 . 36 ILE CA C 59.19 0.05 1 360 . 36 ILE CB C 40.82 0.05 1 361 . 36 ILE CG1 C 27.56 0.05 1 362 . 36 ILE CG2 C 18.12 0.05 1 363 . 36 ILE CD1 C 12.96 0.05 1 364 . 36 ILE N N 122.43 0.05 1 365 . 37 PHE H H 8.75 0.01 1 366 . 37 PHE HA H 5.84 0.01 1 367 . 37 PHE HB2 H 2.76 0.01 1 368 . 37 PHE HB3 H 2.27 0.01 1 369 . 37 PHE HD1 H 6.77 0.01 1 370 . 37 PHE HD2 H 6.77 0.01 1 371 . 37 PHE HE1 H 6.93 0.01 1 372 . 37 PHE HE2 H 6.93 0.01 1 373 . 37 PHE C C 171.34 0.05 1 374 . 37 PHE CA C 54.82 0.05 1 375 . 37 PHE CB C 42.91 0.05 1 376 . 37 PHE CD1 C 132.56 0.05 1 377 . 37 PHE CD2 C 132.56 0.05 1 378 . 37 PHE CE1 C 129.99 0.05 1 379 . 37 PHE CE2 C 129.99 0.05 1 380 . 37 PHE N N 123.97 0.05 1 381 . 38 CYS H H 8.37 0.01 1 382 . 38 CYS HA H 4.22 0.01 1 383 . 38 CYS HB2 H 3.02 0.01 1 384 . 38 CYS HB3 H 0.90 0.01 1 385 . 38 CYS C C 175.90 0.05 1 386 . 38 CYS CA C 61.24 0.05 1 387 . 38 CYS CB C 38.53 0.05 1 388 . 38 CYS N N 118.60 0.05 1 389 . 39 ARG H H 9.29 0.01 1 390 . 39 ARG HA H 4.93 0.01 1 391 . 39 ARG HB2 H 1.94 0.01 1 392 . 39 ARG HB3 H 1.84 0.01 1 393 . 39 ARG HG2 H 1.84 0.01 1 394 . 39 ARG HG3 H 1.60 0.01 1 395 . 39 ARG HD2 H 3.23 0.01 1 396 . 39 ARG HD3 H 3.16 0.01 1 397 . 39 ARG HE H 6.83 0.01 1 398 . 39 ARG CA C 53.71 0.05 1 399 . 39 ARG CB C 30.75 0.05 1 400 . 39 ARG CG C 28.60 0.05 1 401 . 39 ARG CD C 44.74 0.05 1 402 . 39 ARG N N 120.96 0.05 1 403 . 39 ARG NE N 111.93 0.05 1 404 . 40 PRO HA H 4.42 0.01 1 405 . 40 PRO HB2 H 1.87 0.01 1 406 . 40 PRO HB3 H 1.87 0.01 1 407 . 40 PRO HG2 H 1.62 0.01 1 408 . 40 PRO HG3 H 0.97 0.01 1 409 . 40 PRO HD2 H 4.07 0.01 1 410 . 40 PRO HD3 H 3.66 0.01 1 411 . 40 PRO C C 176.18 0.05 1 412 . 40 PRO CA C 66.11 0.05 1 413 . 40 PRO CB C 32.05 0.05 1 414 . 40 PRO CG C 27.53 0.05 1 415 . 40 PRO CD C 51.18 0.05 1 416 . 41 SER H H 8.50 0.01 1 417 . 41 SER HA H 3.74 0.01 1 418 . 41 SER HB2 H 4.02 0.01 1 419 . 41 SER HB3 H 3.43 0.01 1 420 . 41 SER C C 174.32 0.05 1 421 . 41 SER CA C 58.57 0.05 1 422 . 41 SER CB C 62.25 0.05 1 423 . 41 SER N N 108.24 0.05 1 424 . 42 CYS H H 8.04 0.01 1 425 . 42 CYS HA H 3.97 0.01 1 426 . 42 CYS HB2 H 3.50 0.01 1 427 . 42 CYS HB3 H 3.24 0.01 1 428 . 42 CYS C C 177.70 0.05 1 429 . 42 CYS CA C 62.64 0.05 1 430 . 42 CYS CB C 31.28 0.05 1 431 . 42 CYS N N 125.70 0.05 1 432 . 43 ARG H H 8.55 0.01 1 433 . 43 ARG HA H 4.10 0.01 1 434 . 43 ARG HB2 H 2.10 0.01 1 435 . 43 ARG HB3 H 1.84 0.01 1 436 . 43 ARG HG2 H 1.91 0.01 1 437 . 43 ARG HG3 H 1.74 0.01 1 438 . 43 ARG HD2 H 3.26 0.01 1 439 . 43 ARG HD3 H 3.26 0.01 1 440 . 43 ARG C C 176.06 0.05 1 441 . 43 ARG CA C 57.16 0.05 1 442 . 43 ARG CB C 30.64 0.05 1 443 . 43 ARG CG C 28.08 0.05 1 444 . 43 ARG CD C 43.21 0.05 1 445 . 43 ARG N N 126.64 0.05 1 446 . 44 ALA H H 8.79 0.01 1 447 . 44 ALA HA H 4.23 0.01 1 448 . 44 ALA HB H 1.52 0.01 1 449 . 44 ALA C C 177.79 0.05 1 450 . 44 ALA CA C 53.52 0.05 1 451 . 44 ALA CB C 20.16 0.05 1 452 . 44 ALA N N 125.13 0.05 1 453 . 45 ARG H H 8.39 0.01 1 454 . 45 ARG HA H 4.06 0.01 1 455 . 45 ARG HB2 H 1.87 0.01 1 456 . 45 ARG HB3 H 1.81 0.01 1 457 . 45 ARG HG2 H 1.75 0.01 1 458 . 45 ARG HG3 H 1.75 0.01 1 459 . 45 ARG HD2 H 3.24 0.01 1 460 . 45 ARG HD3 H 3.24 0.01 1 461 . 45 ARG C C 176.84 0.05 1 462 . 45 ARG CA C 56.45 0.05 1 463 . 45 ARG CB C 30.85 0.05 1 464 . 45 ARG CG C 27.30 0.05 1 465 . 45 ARG CD C 43.21 0.05 1 466 . 45 ARG N N 120.78 0.05 1 467 . 46 HIS H H 8.72 0.01 1 468 . 46 HIS HA H 4.68 0.01 1 469 . 46 HIS HB2 H 3.21 0.01 1 470 . 46 HIS HB3 H 3.13 0.01 1 471 . 46 HIS HD2 H 7.11 0.01 1 472 . 46 HIS C C 175.19 0.05 1 473 . 46 HIS CA C 56.22 0.05 1 474 . 46 HIS CB C 30.71 0.05 1 475 . 46 HIS N N 123.08 0.05 1 476 . 47 ALA H H 8.22 0.01 1 477 . 47 ALA HA H 4.61 0.01 1 478 . 47 ALA HB H 1.57 0.01 1 479 . 47 ALA C C 176.07 0.05 1 480 . 47 ALA CA C 50.93 0.05 1 481 . 47 ALA CB C 22.12 0.05 1 482 . 47 ALA N N 125.25 0.05 1 483 . 48 LEU H H 8.12 0.01 1 484 . 48 LEU HA H 4.51 0.01 1 485 . 48 LEU HB2 H 1.71 0.01 1 486 . 48 LEU HB3 H 1.64 0.01 1 487 . 48 LEU HG H 1.84 0.01 1 488 . 48 LEU HD1 H 0.97 0.01 1 489 . 48 LEU HD2 H 1.01 0.01 1 490 . 48 LEU C C 178.42 0.05 1 491 . 48 LEU CA C 54.59 0.05 1 492 . 48 LEU CB C 42.50 0.05 1 493 . 48 LEU CG C 27.38 0.05 1 494 . 48 LEU CD1 C 25.77 0.05 1 495 . 48 LEU CD2 C 23.13 0.05 1 496 . 48 LEU N N 118.47 0.05 1 497 . 49 ARG H H 8.51 0.01 1 498 . 49 ARG HA H 2.66 0.01 1 499 . 49 ARG HB2 H 1.41 0.01 1 500 . 49 ARG HB3 H 1.06 0.01 1 501 . 49 ARG HG2 H 1.24 0.01 1 502 . 49 ARG HG3 H 0.63 0.01 1 503 . 49 ARG HD2 H 1.96 0.01 1 504 . 49 ARG HD3 H 1.65 0.01 1 505 . 49 ARG HE H 7.12 0.01 1 506 . 49 ARG C C 178.22 0.05 1 507 . 49 ARG CA C 58.42 0.05 1 508 . 49 ARG CB C 29.20 0.05 1 509 . 49 ARG CG C 26.81 0.05 1 510 . 49 ARG CD C 41.15 0.05 1 511 . 49 ARG N N 123.23 0.05 1 512 . 49 ARG NE N 111.97 0.05 1 513 . 50 GLU H H 9.02 0.01 1 514 . 50 GLU HA H 4.12 0.01 1 515 . 50 GLU HB2 H 2.04 0.01 1 516 . 50 GLU HB3 H 2.04 0.01 1 517 . 50 GLU HG2 H 2.13 0.01 1 518 . 50 GLU HG3 H 2.13 0.01 1 519 . 50 GLU C C 176.47 0.05 1 520 . 50 GLU CA C 58.22 0.05 1 521 . 50 GLU CB C 28.97 0.05 1 522 . 50 GLU CG C 36.01 0.05 1 523 . 50 GLU N N 115.03 0.05 1 524 . 51 ASN H H 8.01 0.01 1 525 . 51 ASN HA H 5.11 0.01 1 526 . 51 ASN HB2 H 3.21 0.01 1 527 . 51 ASN HB3 H 2.86 0.01 1 528 . 51 ASN HD21 H 7.80 0.01 1 529 . 51 ASN HD22 H 7.39 0.01 1 530 . 51 ASN C C 173.79 0.05 1 531 . 51 ASN CA C 52.78 0.05 1 532 . 51 ASN CB C 40.68 0.05 1 533 . 51 ASN N N 116.35 0.05 1 534 . 51 ASN ND2 N 114.42 0.05 1 535 . 52 VAL H H 7.58 0.01 1 536 . 52 VAL HA H 5.14 0.01 1 537 . 52 VAL HB H 1.71 0.01 1 538 . 52 VAL HG1 H 0.90 0.01 1 539 . 52 VAL HG2 H 0.62 0.01 1 540 . 52 VAL C C 175.08 0.05 1 541 . 52 VAL CA C 61.60 0.05 1 542 . 52 VAL CB C 34.33 0.05 1 543 . 52 VAL CG1 C 22.63 0.05 1 544 . 52 VAL CG2 C 23.26 0.05 1 545 . 52 VAL N N 120.82 0.05 1 546 . 53 SER H H 8.84 0.01 1 547 . 53 SER HA H 4.47 0.01 1 548 . 53 SER HB2 H 3.69 0.01 1 549 . 53 SER HB3 H 3.44 0.01 1 550 . 53 SER C C 171.65 0.05 1 551 . 53 SER CA C 56.56 0.05 1 552 . 53 SER CB C 66.47 0.05 1 553 . 53 SER N N 121.25 0.05 1 554 . 54 PHE H H 8.53 0.01 1 555 . 54 PHE HA H 5.41 0.01 1 556 . 54 PHE HB2 H 2.84 0.01 1 557 . 54 PHE HB3 H 2.74 0.01 1 558 . 54 PHE HD1 H 7.22 0.01 1 559 . 54 PHE HD2 H 7.22 0.01 1 560 . 54 PHE HE1 H 7.16 0.01 1 561 . 54 PHE HE2 H 7.16 0.01 1 562 . 54 PHE C C 174.25 0.05 1 563 . 54 PHE CA C 57.16 0.05 1 564 . 54 PHE CB C 42.21 0.05 1 565 . 54 PHE CD1 C 132.07 0.05 1 566 . 54 PHE CD2 C 132.07 0.05 1 567 . 54 PHE N N 119.14 0.05 1 568 . 55 TYR H H 8.63 0.01 1 569 . 55 TYR HA H 4.75 0.01 1 570 . 55 TYR HB2 H 3.20 0.01 1 571 . 55 TYR HB3 H 2.25 0.01 1 572 . 55 TYR HD1 H 6.75 0.01 1 573 . 55 TYR HD2 H 6.75 0.01 1 574 . 55 TYR HE1 H 6.50 0.01 1 575 . 55 TYR HE2 H 6.50 0.01 1 576 . 55 TYR C C 173.31 0.05 1 577 . 55 TYR CA C 57.30 0.05 1 578 . 55 TYR CB C 43.33 0.05 1 579 . 55 TYR CD1 C 132.10 0.05 1 580 . 55 TYR CD2 C 132.10 0.05 1 581 . 55 TYR CE1 C 118.06 0.05 1 582 . 55 TYR CE2 C 118.06 0.05 1 583 . 55 TYR N N 117.43 0.05 1 584 . 56 ALA H H 9.13 0.01 1 585 . 56 ALA HA H 4.31 0.01 1 586 . 56 ALA HB H 1.55 0.01 1 587 . 56 ALA C C 177.38 0.05 1 588 . 56 ALA CA C 55.09 0.05 1 589 . 56 ALA CB C 20.11 0.05 1 590 . 56 ALA N N 122.66 0.05 1 591 . 57 ASN H H 7.20 0.01 1 592 . 57 ASN HA H 4.54 0.01 1 593 . 57 ASN HB2 H 3.23 0.01 1 594 . 57 ASN HB3 H 3.05 0.01 1 595 . 57 ASN HD21 H 7.64 0.01 1 596 . 57 ASN HD22 H 7.04 0.01 1 597 . 57 ASN C C 174.38 0.05 1 598 . 57 ASN CA C 51.49 0.05 1 599 . 57 ASN CB C 40.45 0.05 1 600 . 57 ASN N N 104.22 0.05 1 601 . 57 ASN ND2 N 115.41 0.05 1 602 . 58 ALA H H 8.92 0.01 1 603 . 58 ALA HA H 3.61 0.01 1 604 . 58 ALA HB H 1.56 0.01 1 605 . 58 ALA C C 177.81 0.05 1 606 . 58 ALA CA C 54.73 0.05 1 607 . 58 ALA CB C 19.05 0.05 1 608 . 58 ALA N N 120.36 0.05 1 609 . 59 SER H H 8.29 0.01 1 610 . 59 SER HA H 4.09 0.01 1 611 . 59 SER HB2 H 3.93 0.01 1 612 . 59 SER HB3 H 3.93 0.01 1 613 . 59 SER C C 177.48 0.05 1 614 . 59 SER CA C 62.41 0.05 1 615 . 59 SER CB C 62.27 0.05 1 616 . 59 SER N N 113.53 0.05 1 617 . 60 GLU H H 8.15 0.01 1 618 . 60 GLU HA H 4.00 0.01 1 619 . 60 GLU HB2 H 2.27 0.01 1 620 . 60 GLU HB3 H 2.08 0.01 1 621 . 60 GLU HG2 H 2.62 0.01 1 622 . 60 GLU HG3 H 2.38 0.01 1 623 . 60 GLU C C 178.64 0.05 1 624 . 60 GLU CA C 59.06 0.05 1 625 . 60 GLU CB C 30.84 0.05 1 626 . 60 GLU CG C 37.21 0.05 1 627 . 60 GLU N N 121.98 0.05 1 628 . 61 ALA H H 6.88 0.01 1 629 . 61 ALA HA H 2.72 0.01 1 630 . 61 ALA HB H -0.05 0.01 1 631 . 61 ALA C C 179.14 0.05 1 632 . 61 ALA CA C 54.54 0.05 1 633 . 61 ALA CB C 16.71 0.05 1 634 . 61 ALA N N 122.24 0.05 1 635 . 62 LEU H H 8.23 0.01 1 636 . 62 LEU HA H 4.49 0.01 1 637 . 62 LEU HB2 H 1.87 0.01 1 638 . 62 LEU HB3 H 1.53 0.01 1 639 . 62 LEU HG H 1.82 0.01 1 640 . 62 LEU HD1 H 1.26 0.01 1 641 . 62 LEU HD2 H 1.00 0.01 1 642 . 62 LEU C C 171.54 0.05 1 643 . 62 LEU CA C 57.40 0.05 1 644 . 62 LEU CB C 42.61 0.05 1 645 . 62 LEU CG C 27.59 0.05 1 646 . 62 LEU CD1 C 24.69 0.05 1 647 . 62 LEU CD2 C 26.01 0.05 1 648 . 62 LEU N N 119.74 0.05 1 649 . 63 ALA H H 7.82 0.01 1 650 . 63 ALA HA H 4.12 0.01 1 651 . 63 ALA HB H 1.49 0.01 1 652 . 63 ALA C C 178.61 0.05 1 653 . 63 ALA CA C 54.56 0.05 1 654 . 63 ALA CB C 18.11 0.05 1 655 . 63 ALA N N 122.80 0.05 1 656 . 64 ALA H H 7.16 0.01 1 657 . 64 ALA HA H 4.36 0.01 1 658 . 64 ALA HB H 1.49 0.01 1 659 . 64 ALA C C 176.86 0.05 1 660 . 64 ALA CA C 52.07 0.05 1 661 . 64 ALA CB C 19.25 0.05 1 662 . 64 ALA N N 118.63 0.05 1 663 . 65 GLY H H 7.69 0.01 1 664 . 65 GLY HA2 H 4.06 0.01 1 665 . 65 GLY HA3 H 3.63 0.01 1 666 . 65 GLY C C 179.08 0.05 1 667 . 65 GLY CA C 45.12 0.05 1 668 . 65 GLY N N 104.96 0.05 1 669 . 66 PHE H H 7.70 0.01 1 670 . 66 PHE HA H 4.65 0.01 1 671 . 66 PHE HB2 H 3.02 0.01 1 672 . 66 PHE HB3 H 2.56 0.01 1 673 . 66 PHE HD1 H 6.99 0.01 1 674 . 66 PHE HD2 H 6.99 0.01 1 675 . 66 PHE HE1 H 7.38 0.01 1 676 . 66 PHE HE2 H 7.38 0.01 1 677 . 66 PHE HZ H 7.32 0.01 1 678 . 66 PHE C C 174.42 0.05 1 679 . 66 PHE CA C 58.10 0.05 1 680 . 66 PHE CB C 41.73 0.05 1 681 . 66 PHE CD1 C 131.59 0.05 1 682 . 66 PHE CD2 C 131.59 0.05 1 683 . 66 PHE CE1 C 131.65 0.05 1 684 . 66 PHE CE2 C 131.65 0.05 1 685 . 66 PHE CZ C 130.01 0.05 1 686 . 66 PHE N N 118.87 0.05 1 687 . 67 ARG H H 9.15 0.01 1 688 . 67 ARG HA H 5.09 0.01 1 689 . 67 ARG HB2 H 1.87 0.01 1 690 . 67 ARG HB3 H 1.80 0.01 1 691 . 67 ARG HG2 H 1.80 0.01 1 692 . 67 ARG HG3 H 1.80 0.01 1 693 . 67 ARG HD2 H 3.27 0.01 1 694 . 67 ARG HD3 H 3.27 0.01 1 695 . 67 ARG CA C 52.61 0.05 1 696 . 67 ARG CB C 31.28 0.05 1 697 . 67 ARG CG C 28.29 0.05 1 698 . 67 ARG CD C 43.15 0.05 1 699 . 67 ARG N N 120.31 0.05 1 700 . 68 PRO HA H 2.84 0.01 1 701 . 68 PRO HB2 H 1.81 0.01 1 702 . 68 PRO HB3 H 1.58 0.01 1 703 . 68 PRO HG2 H 2.13 0.01 1 704 . 68 PRO HG3 H 1.96 0.01 1 705 . 68 PRO HD2 H 3.73 0.01 1 706 . 68 PRO HD3 H 3.73 0.01 1 707 . 68 PRO C C 176.35 0.05 1 708 . 68 PRO CA C 61.88 0.05 1 709 . 68 PRO CB C 32.25 0.05 1 710 . 68 PRO CG C 27.59 0.05 1 711 . 68 PRO CD C 50.30 0.05 1 712 . 69 CYS H H 7.87 0.01 1 713 . 69 CYS HA H 3.96 0.01 1 714 . 69 CYS HB2 H 3.31 0.01 1 715 . 69 CYS HB3 H 3.31 0.01 1 716 . 69 CYS C C 178.49 0.05 1 717 . 69 CYS CA C 60.00 0.05 1 718 . 69 CYS CB C 35.55 0.05 1 719 . 69 CYS N N 126.56 0.05 1 720 . 70 LYS H H 8.93 0.01 1 721 . 70 LYS HA H 4.17 0.01 1 722 . 70 LYS HB2 H 1.96 0.01 1 723 . 70 LYS HB3 H 1.87 0.01 1 724 . 70 LYS HG2 H 1.61 0.01 1 725 . 70 LYS HG3 H 1.56 0.01 1 726 . 70 LYS HD2 H 1.75 0.01 1 727 . 70 LYS HD3 H 1.75 0.01 1 728 . 70 LYS HE2 H 3.04 0.01 1 729 . 70 LYS HE3 H 3.04 0.01 1 730 . 70 LYS C C 176.98 0.05 1 731 . 70 LYS CA C 57.69 0.05 1 732 . 70 LYS CB C 32.87 0.05 1 733 . 70 LYS CG C 25.67 0.05 1 734 . 70 LYS CD C 29.17 0.05 1 735 . 70 LYS CE C 42.04 0.05 1 736 . 70 LYS N N 128.55 0.05 1 737 . 71 ARG H H 9.69 0.01 1 738 . 71 ARG HA H 4.34 0.01 1 739 . 71 ARG HB2 H 1.98 0.01 1 740 . 71 ARG HB3 H 1.89 0.01 1 741 . 71 ARG HG2 H 1.66 0.01 1 742 . 71 ARG HG3 H 1.66 0.01 1 743 . 71 ARG HD2 H 3.18 0.01 1 744 . 71 ARG HD3 H 3.10 0.01 1 745 . 71 ARG C C 177.87 0.05 1 746 . 71 ARG CA C 58.11 0.05 1 747 . 71 ARG CB C 30.89 0.05 1 748 . 71 ARG CG C 27.11 0.05 1 749 . 71 ARG CD C 43.60 0.05 1 750 . 71 ARG N N 122.21 0.05 1 751 . 72 CYS H H 8.54 0.01 1 752 . 72 CYS HA H 4.86 0.01 1 753 . 72 CYS HB2 H 3.18 0.01 1 754 . 72 CYS HB3 H 3.03 0.01 1 755 . 72 CYS C C 176.80 0.05 1 756 . 72 CYS CA C 59.02 0.05 1 757 . 72 CYS CB C 31.21 0.05 1 758 . 72 CYS N N 117.69 0.05 1 759 . 73 GLN H H 7.40 0.01 1 760 . 73 GLN HA H 4.47 0.01 1 761 . 73 GLN HB2 H 2.17 0.01 1 762 . 73 GLN HB3 H 1.91 0.01 1 763 . 73 GLN HG2 H 2.33 0.01 1 764 . 73 GLN HG3 H 2.12 0.01 1 765 . 73 GLN HE21 H 7.35 0.01 1 766 . 73 GLN HE22 H 6.83 0.01 1 767 . 73 GLN CA C 56.34 0.05 1 768 . 73 GLN CB C 28.06 0.05 1 769 . 73 GLN CG C 34.38 0.05 1 770 . 73 GLN N N 117.88 0.05 1 771 . 73 GLN NE2 N 111.73 0.05 1 772 . 74 PRO HA H 4.23 0.01 1 773 . 74 PRO HB2 H 2.36 0.01 1 774 . 74 PRO HB3 H 1.91 0.01 1 775 . 74 PRO HG2 H 2.12 0.01 1 776 . 74 PRO HG3 H 2.12 0.01 1 777 . 74 PRO HD2 H 3.69 0.01 1 778 . 74 PRO HD3 H 3.69 0.01 1 779 . 74 PRO CA C 64.54 0.05 1 780 . 74 PRO CB C 32.41 0.05 1 781 . 74 PRO CG C 27.86 0.05 1 782 . 74 PRO CD C 51.11 0.05 1 783 . 75 GLU HA H 4.28 0.01 1 784 . 75 GLU HB2 H 2.20 0.01 1 785 . 75 GLU HB3 H 1.83 0.01 1 786 . 75 GLU HG2 H 2.43 0.01 1 787 . 75 GLU HG3 H 2.15 0.01 1 788 . 75 GLU C C 176.10 0.05 1 789 . 75 GLU CA C 56.98 0.05 1 790 . 75 GLU CB C 29.04 0.05 1 791 . 75 GLU CG C 36.37 0.05 1 792 . 76 LYS H H 7.63 0.01 1 793 . 76 LYS HA H 4.40 0.01 1 794 . 76 LYS HB2 H 1.92 0.01 1 795 . 76 LYS HB3 H 1.79 0.01 1 796 . 76 LYS HG2 H 1.44 0.01 1 797 . 76 LYS HG3 H 1.36 0.01 1 798 . 76 LYS HD2 H 1.69 0.01 1 799 . 76 LYS HD3 H 1.69 0.01 1 800 . 76 LYS HE2 H 3.00 0.01 1 801 . 76 LYS HE3 H 3.00 0.01 1 802 . 76 LYS C C 176.22 0.05 1 803 . 76 LYS CA C 56.08 0.05 1 804 . 76 LYS CB C 33.37 0.05 1 805 . 76 LYS CG C 25.55 0.05 1 806 . 76 LYS CD C 29.22 0.05 1 807 . 76 LYS CE C 42.18 0.05 1 808 . 76 LYS N N 121.85 0.05 1 809 . 77 ALA H H 8.04 0.01 1 810 . 77 ALA HA H 4.31 0.01 1 811 . 77 ALA HB H 1.42 0.01 1 812 . 77 ALA C C 177.61 0.05 1 813 . 77 ALA CA C 53.06 0.05 1 814 . 77 ALA CB C 19.45 0.05 1 815 . 77 ALA N N 124.69 0.05 1 816 . 78 ASN H H 8.36 0.01 1 817 . 78 ASN HA H 4.73 0.01 1 818 . 78 ASN HB2 H 2.88 0.01 1 819 . 78 ASN HB3 H 2.81 0.01 1 820 . 78 ASN HD21 H 7.63 0.01 1 821 . 78 ASN HD22 H 6.96 0.01 1 822 . 78 ASN C C 175.23 0.05 1 823 . 78 ASN CA C 53.27 0.05 1 824 . 78 ASN CB C 39.16 0.05 1 825 . 78 ASN N N 117.91 0.05 1 826 . 78 ASN ND2 N 112.83 0.05 1 827 . 79 ALA H H 8.28 0.01 1 828 . 79 ALA HA H 4.31 0.01 1 829 . 79 ALA HB H 1.42 0.01 1 830 . 79 ALA C C 178.35 0.05 1 831 . 79 ALA CA C 53.06 0.05 1 832 . 79 ALA CB C 19.28 0.05 1 833 . 79 ALA N N 124.21 0.05 1 834 . 80 GLN H H 8.35 0.01 1 835 . 80 GLN HA H 4.29 0.01 1 836 . 80 GLN HB2 H 2.06 0.01 1 837 . 80 GLN HB3 H 2.06 0.01 1 838 . 80 GLN HG2 H 2.38 0.01 1 839 . 80 GLN HG3 H 2.38 0.01 1 840 . 80 GLN HE21 H 7.49 0.01 1 841 . 80 GLN HE22 H 6.88 0.01 1 842 . 80 GLN C C 176.81 0.05 1 843 . 80 GLN CA C 56.45 0.05 1 844 . 80 GLN CB C 29.39 0.05 1 845 . 80 GLN CG C 34.04 0.05 1 846 . 80 GLN N N 118.52 0.05 1 847 . 80 GLN NE2 N 112.15 0.05 1 848 . 81 GLN H H 8.24 0.01 1 849 . 81 GLN HA H 4.16 0.01 1 850 . 81 GLN HB2 H 2.06 0.01 1 851 . 81 GLN HB3 H 2.06 0.01 1 852 . 81 GLN HG2 H 2.36 0.01 1 853 . 81 GLN HG3 H 2.36 0.01 1 854 . 81 GLN HE21 H 7.60 0.01 1 855 . 81 GLN HE22 H 6.86 0.01 1 856 . 81 GLN CA C 57.09 0.05 1 857 . 81 GLN CB C 28.97 0.05 1 858 . 81 GLN CG C 33.94 0.05 1 859 . 81 GLN N N 120.51 0.05 1 860 . 81 GLN NE2 N 113.09 0.05 1 861 . 82 HIS HA H 4.78 0.01 1 862 . 82 HIS HB2 H 3.25 0.01 1 863 . 82 HIS HB3 H 3.09 0.01 1 864 . 82 HIS HD2 H 7.15 0.01 1 865 . 82 HIS C C 178.88 0.05 1 866 . 82 HIS CA C 56.73 0.05 1 867 . 82 HIS CB C 31.07 0.05 1 868 . 83 ARG HA H 4.23 0.01 1 869 . 83 ARG HB2 H 1.86 0.01 1 870 . 83 ARG HB3 H 1.86 0.01 1 871 . 83 ARG HD2 H 3.22 0.01 1 872 . 83 ARG HD3 H 3.22 0.01 1 873 . 83 ARG C C 177.02 0.05 1 874 . 83 ARG CA C 57.38 0.05 1 875 . 83 ARG CB C 31.19 0.05 1 876 . 83 ARG CD C 43.64 0.05 1 877 . 84 LEU H H 8.26 0.01 1 878 . 84 LEU HA H 4.21 0.01 1 879 . 84 LEU HB2 H 1.68 0.01 1 880 . 84 LEU HB3 H 1.68 0.01 1 881 . 84 LEU HG H 1.63 0.01 1 882 . 84 LEU HD1 H 0.84 0.01 1 883 . 84 LEU C C 178.73 0.05 1 884 . 84 LEU CA C 56.43 0.05 1 885 . 84 LEU CB C 42.04 0.05 1 886 . 84 LEU CG C 27.49 0.05 1 887 . 84 LEU CD1 C 23.88 0.05 1 888 . 84 LEU N N 121.14 0.05 1 889 . 85 ASP H H 8.45 0.01 1 890 . 85 ASP HA H 4.48 0.01 1 891 . 85 ASP HB2 H 2.82 0.01 1 892 . 85 ASP HB3 H 2.77 0.01 1 893 . 85 ASP C C 178.24 0.05 1 894 . 85 ASP CA C 56.39 0.05 1 895 . 85 ASP CB C 41.26 0.05 1 896 . 85 ASP N N 121.39 0.05 1 897 . 86 LYS H H 8.03 0.01 1 898 . 86 LYS HA H 4.17 0.01 1 899 . 86 LYS HB2 H 2.04 0.01 1 900 . 86 LYS HB3 H 1.74 0.01 1 901 . 86 LYS HG2 H 1.62 0.01 1 902 . 86 LYS HG3 H 1.62 0.01 1 903 . 86 LYS HE2 H 3.05 0.01 1 904 . 86 LYS HE3 H 3.05 0.01 1 905 . 86 LYS C C 178.35 0.05 1 906 . 86 LYS CA C 59.68 0.05 1 907 . 86 LYS CB C 32.80 0.05 1 908 . 86 LYS CG C 25.66 0.05 1 909 . 86 LYS CE C 42.77 0.05 1 910 . 86 LYS N N 120.41 0.05 1 911 . 87 ILE H H 7.73 0.01 1 912 . 87 ILE HA H 3.86 0.01 1 913 . 87 ILE HB H 2.28 0.01 1 914 . 87 ILE HG12 H 1.15 0.01 1 915 . 87 ILE HG13 H 1.15 0.01 1 916 . 87 ILE HG2 H 0.59 0.01 1 917 . 87 ILE HD1 H 0.47 0.01 1 918 . 87 ILE C C 178.04 0.05 1 919 . 87 ILE CA C 61.31 0.05 1 920 . 87 ILE CB C 34.65 0.05 1 921 . 87 ILE CG1 C 27.62 0.05 1 922 . 87 ILE CG2 C 9.19 0.05 1 923 . 87 ILE CD1 C 18.45 0.05 1 924 . 87 ILE N N 117.53 0.05 1 925 . 88 THR H H 8.26 0.01 1 926 . 88 THR HA H 3.68 0.01 1 927 . 88 THR HB H 4.22 0.01 1 928 . 88 THR HG2 H 1.24 0.01 1 929 . 88 THR C C 176.29 0.05 1 930 . 88 THR CA C 67.42 0.05 1 931 . 88 THR CB C 68.09 0.05 1 932 . 88 THR CG2 C 22.50 0.05 1 933 . 88 THR N N 119.12 0.05 1 934 . 89 HIS H H 7.93 0.01 1 935 . 89 HIS HA H 4.34 0.01 1 936 . 89 HIS HB2 H 3.32 0.01 1 937 . 89 HIS HB3 H 3.15 0.01 1 938 . 89 HIS HD2 H 6.86 0.01 1 939 . 89 HIS C C 176.84 0.05 1 940 . 89 HIS CA C 58.16 0.05 1 941 . 89 HIS CB C 31.02 0.05 1 942 . 89 HIS N N 120.53 0.05 1 943 . 90 ALA H H 8.29 0.01 1 944 . 90 ALA HA H 3.79 0.01 1 945 . 90 ALA HB H 1.57 0.01 1 946 . 90 ALA C C 178.36 0.05 1 947 . 90 ALA CA C 55.54 0.05 1 948 . 90 ALA CB C 17.92 0.05 1 949 . 90 ALA N N 120.15 0.05 1 950 . 91 CYS H H 8.28 0.01 1 951 . 91 CYS HA H 3.92 0.01 1 952 . 91 CYS HB2 H 2.92 0.01 1 953 . 91 CYS HB3 H 2.49 0.01 1 954 . 91 CYS C C 176.01 0.05 1 955 . 91 CYS CA C 64.76 0.05 1 956 . 91 CYS CB C 26.98 0.05 1 957 . 91 CYS N N 113.79 0.05 1 958 . 92 ARG H H 7.51 0.01 1 959 . 92 ARG HA H 4.01 0.01 1 960 . 92 ARG HB2 H 2.08 0.01 1 961 . 92 ARG HB3 H 2.08 0.01 1 962 . 92 ARG CA C 58.68 0.05 1 963 . 92 ARG N N 116.00 0.05 1 964 . 93 LEU H H 7.75 0.01 1 965 . 93 LEU HA H 3.93 0.01 1 966 . 93 LEU HB2 H 1.83 0.01 1 967 . 93 LEU HB3 H 1.17 0.01 1 968 . 93 LEU HG H 1.61 0.01 1 969 . 93 LEU HD1 H 0.79 0.01 1 970 . 93 LEU HD2 H 0.50 0.01 1 971 . 93 LEU C C 177.73 0.05 1 972 . 93 LEU CA C 56.94 0.05 1 973 . 93 LEU CB C 41.91 0.05 1 974 . 93 LEU CG C 26.69 0.05 1 975 . 93 LEU CD1 C 22.42 0.05 1 976 . 93 LEU CD2 C 26.32 0.05 1 977 . 93 LEU N N 119.25 0.05 1 978 . 94 LEU H H 7.33 0.01 1 979 . 94 LEU HA H 4.09 0.01 1 980 . 94 LEU HB2 H 1.76 0.01 1 981 . 94 LEU HB3 H 1.76 0.01 1 982 . 94 LEU HD1 H 0.73 0.01 1 983 . 94 LEU HD2 H 0.78 0.01 1 984 . 94 LEU C C 176.54 0.05 1 985 . 94 LEU CA C 55.34 0.05 1 986 . 94 LEU CB C 44.31 0.05 1 987 . 94 LEU CD1 C 27.46 0.05 1 988 . 94 LEU CD2 C 22.97 0.05 1 989 . 94 LEU N N 116.85 0.05 1 990 . 95 GLU H H 6.82 0.01 1 991 . 95 GLU HB2 H 1.73 0.01 1 992 . 95 GLU HB3 H 1.73 0.01 1 993 . 95 GLU CA C 54.10 0.05 1 994 . 95 GLU N N 120.93 0.05 1 995 . 96 GLN HA H 4.29 0.01 1 996 . 96 GLN HB2 H 2.01 0.01 1 997 . 96 GLN HB3 H 2.01 0.01 1 998 . 96 GLN HG2 H 2.12 0.01 1 999 . 96 GLN HG3 H 2.12 0.01 1 1000 . 96 GLN HE21 H 7.47 0.01 1 1001 . 96 GLN HE22 H 6.86 0.01 1 1002 . 96 GLN C C 174.94 0.05 1 1003 . 96 GLN CA C 54.80 0.05 1 1004 . 96 GLN CB C 30.80 0.05 1 1005 . 96 GLN CG C 29.37 0.05 1 1006 . 96 GLN NE2 N 112.52 0.05 1 1007 . 97 GLU H H 8.84 0.01 1 1008 . 97 GLU HA H 4.28 0.01 1 1009 . 97 GLU HB2 H 2.21 0.01 1 1010 . 97 GLU HB3 H 2.21 0.01 1 1011 . 97 GLU HG2 H 2.50 0.01 1 1012 . 97 GLU HG3 H 2.50 0.01 1 1013 . 97 GLU C C 177.61 0.05 1 1014 . 97 GLU CA C 59.25 0.05 1 1015 . 97 GLU CB C 30.77 0.05 1 1016 . 97 GLU CG C 36.87 0.05 1 1017 . 97 GLU N N 119.19 0.05 1 1018 . 98 THR H H 7.93 0.01 1 1019 . 98 THR HA H 4.48 0.01 1 1020 . 98 THR HB H 4.07 0.01 1 1021 . 98 THR HG2 H 1.31 0.01 1 1022 . 98 THR CA C 60.98 0.05 1 1023 . 98 THR CB C 69.39 0.05 1 1024 . 98 THR CG2 C 21.70 0.05 1 1025 . 98 THR N N 116.52 0.05 1 1026 . 99 PRO HA H 4.49 0.01 1 1027 . 99 PRO HB2 H 2.34 0.01 1 1028 . 99 PRO HB3 H 1.93 0.01 1 1029 . 99 PRO HG2 H 2.02 0.01 1 1030 . 99 PRO HG3 H 2.17 0.01 1 1031 . 99 PRO HD2 H 4.12 0.01 1 1032 . 99 PRO HD3 H 3.74 0.01 1 1033 . 99 PRO C C 176.15 0.05 1 1034 . 99 PRO CA C 63.20 0.05 1 1035 . 99 PRO CB C 32.41 0.05 1 1036 . 99 PRO CG C 28.04 0.05 1 1037 . 99 PRO CD C 51.39 0.05 1 1038 . 100 VAL H H 8.25 0.01 1 1039 . 100 VAL HA H 4.35 0.01 1 1040 . 100 VAL HB H 1.87 0.01 1 1041 . 100 VAL HG1 H 0.95 0.01 1 1042 . 100 VAL HG2 H 0.90 0.01 1 1043 . 100 VAL C C 176.01 0.05 1 1044 . 100 VAL CA C 60.93 0.05 1 1045 . 100 VAL CB C 34.32 0.05 1 1046 . 100 VAL CG1 C 21.61 0.05 1 1047 . 100 VAL CG2 C 22.00 0.05 1 1048 . 100 VAL N N 125.07 0.05 1 1049 . 101 THR H H 8.27 0.01 1 1050 . 101 THR HA H 4.41 0.01 1 1051 . 101 THR HB H 4.73 0.01 1 1052 . 101 THR HG2 H 1.38 0.01 1 1053 . 101 THR C C 174.91 0.05 1 1054 . 101 THR CA C 60.91 0.05 1 1055 . 101 THR CB C 70.70 0.05 1 1056 . 101 THR CG2 C 22.35 0.05 1 1057 . 101 THR N N 117.45 0.05 1 1058 . 102 LEU H H 8.71 0.01 1 1059 . 102 LEU HA H 3.95 0.01 1 1060 . 102 LEU HB2 H 1.78 0.01 1 1061 . 102 LEU HB3 H 1.83 0.01 1 1062 . 102 LEU HD1 H 0.96 0.01 1 1063 . 102 LEU HD2 H 1.05 0.01 1 1064 . 102 LEU C C 178.33 0.05 1 1065 . 102 LEU CA C 58.12 0.05 1 1066 . 102 LEU CB C 41.33 0.05 1 1067 . 102 LEU CD1 C 25.71 0.05 1 1068 . 102 LEU CD2 C 23.27 0.05 1 1069 . 102 LEU N N 123.01 0.05 1 1070 . 103 GLU H H 8.91 0.01 1 1071 . 103 GLU HA H 3.80 0.01 1 1072 . 103 GLU HB2 H 2.10 0.01 1 1073 . 103 GLU HB3 H 1.99 0.01 1 1074 . 103 GLU HG2 H 2.51 0.01 1 1075 . 103 GLU HG3 H 2.18 0.01 1 1076 . 103 GLU C C 178.51 0.05 1 1077 . 103 GLU CA C 61.06 0.05 1 1078 . 103 GLU CB C 28.89 0.05 1 1079 . 103 GLU CG C 37.81 0.05 1 1080 . 103 GLU N N 116.19 0.05 1 1081 . 104 ALA H H 7.77 0.01 1 1082 . 104 ALA HA H 4.23 0.01 1 1083 . 104 ALA HB H 1.46 0.01 1 1084 . 104 ALA C C 170.27 0.05 1 1085 . 104 ALA CA C 54.79 0.05 1 1086 . 104 ALA CB C 18.83 0.05 1 1087 . 104 ALA N N 122.79 0.05 1 1088 . 105 LEU H H 8.29 0.01 1 1089 . 105 LEU HA H 3.80 0.01 1 1090 . 105 LEU HB2 H 1.81 0.01 1 1091 . 105 LEU HB3 H 1.55 0.01 1 1092 . 105 LEU HG H 1.48 0.01 1 1093 . 105 LEU HD1 H 0.68 0.01 1 1094 . 105 LEU HD2 H 0.83 0.01 1 1095 . 105 LEU C C 178.03 0.05 1 1096 . 105 LEU CA C 57.70 0.05 1 1097 . 105 LEU CB C 42.84 0.05 1 1098 . 105 LEU CG C 26.38 0.05 1 1099 . 105 LEU CD1 C 26.29 0.05 1 1100 . 105 LEU CD2 C 24.57 0.05 1 1101 . 105 LEU N N 121.03 0.05 1 1102 . 106 ALA H H 8.55 0.01 1 1103 . 106 ALA HA H 3.81 0.01 1 1104 . 106 ALA HB H 1.52 0.01 1 1105 . 106 ALA C C 179.52 0.05 1 1106 . 106 ALA CA C 55.44 0.05 1 1107 . 106 ALA CB C 17.92 0.05 1 1108 . 106 ALA N N 119.80 0.05 1 1109 . 107 ASP H H 7.69 0.01 1 1110 . 107 ASP HA H 4.48 0.01 1 1111 . 107 ASP HB2 H 2.84 0.01 1 1112 . 107 ASP HB3 H 2.76 0.01 1 1113 . 107 ASP C C 179.27 0.05 1 1114 . 107 ASP CA C 56.39 0.05 1 1115 . 107 ASP CB C 41.42 0.05 1 1116 . 107 ASP N N 116.65 0.05 1 1117 . 108 GLN H H 7.71 0.01 1 1118 . 108 GLN HA H 4.10 0.01 1 1119 . 108 GLN HB2 H 2.13 0.01 1 1120 . 108 GLN HB3 H 2.13 0.01 1 1121 . 108 GLN HG2 H 2.59 0.01 1 1122 . 108 GLN HG3 H 2.39 0.01 1 1123 . 108 GLN HE21 H 7.09 0.01 1 1124 . 108 GLN HE22 H 6.78 0.01 1 1125 . 108 GLN C C 178.04 0.05 1 1126 . 108 GLN CA C 58.94 0.05 1 1127 . 108 GLN CB C 29.86 0.05 1 1128 . 108 GLN CG C 35.42 0.05 1 1129 . 108 GLN N N 117.30 0.05 1 1130 . 108 GLN NE2 N 110.27 0.05 1 1131 . 109 VAL H H 7.71 0.01 1 1132 . 109 VAL HA H 4.44 0.01 1 1133 . 109 VAL HB H 2.41 0.01 1 1134 . 109 VAL HG1 H 0.88 0.01 1 1135 . 109 VAL HG2 H 0.68 0.01 1 1136 . 109 VAL C C 174.31 0.05 1 1137 . 109 VAL CA C 60.84 0.05 1 1138 . 109 VAL CB C 31.83 0.05 1 1139 . 109 VAL CG1 C 20.24 0.05 1 1140 . 109 VAL CG2 C 21.15 0.05 1 1141 . 109 VAL N N 109.53 0.05 1 1142 . 110 ALA H H 7.82 0.01 1 1143 . 110 ALA HA H 4.14 0.01 1 1144 . 110 ALA HB H 1.40 0.01 1 1145 . 110 ALA C C 175.89 0.05 1 1146 . 110 ALA CA C 52.80 0.05 1 1147 . 110 ALA CB C 16.61 0.05 1 1148 . 110 ALA N N 123.33 0.05 1 1149 . 111 MET H H 8.17 0.01 1 1150 . 111 MET HA H 4.78 0.01 1 1151 . 111 MET HB2 H 2.18 0.01 1 1152 . 111 MET HB3 H 1.60 0.01 1 1153 . 111 MET HG2 H 2.61 0.01 1 1154 . 111 MET HG3 H 2.61 0.01 1 1155 . 111 MET HE H 1.93 0.01 1 1156 . 111 MET C C 174.71 0.05 1 1157 . 111 MET CA C 54.91 0.05 1 1158 . 111 MET CB C 39.77 0.05 1 1159 . 111 MET CG C 32.95 0.05 1 1160 . 111 MET CE C 17.18 0.05 1 1161 . 111 MET N N 117.59 0.05 1 1162 . 112 SER H H 8.85 0.01 1 1163 . 112 SER HA H 4.84 0.01 1 1164 . 112 SER HB2 H 4.28 0.01 1 1165 . 112 SER HB3 H 4.05 0.01 1 1166 . 112 SER CA C 56.47 0.05 1 1167 . 112 SER CB C 63.14 0.05 1 1168 . 112 SER N N 117.95 0.05 1 1169 . 113 PRO HA H 4.01 0.01 1 1170 . 113 PRO HB2 H 2.05 0.01 1 1171 . 113 PRO HB3 H 2.05 0.01 1 1172 . 113 PRO HD2 H 4.01 0.01 1 1173 . 113 PRO HD3 H 3.95 0.01 1 1174 . 113 PRO C C 177.50 0.05 1 1175 . 113 PRO CA C 66.57 0.05 1 1176 . 113 PRO CB C 31.98 0.05 1 1177 . 113 PRO CD C 50.52 0.05 1 1178 . 114 PHE H H 8.01 0.01 1 1179 . 114 PHE HA H 4.32 0.01 1 1180 . 114 PHE HB2 H 3.19 0.01 1 1181 . 114 PHE HB3 H 2.90 0.01 1 1182 . 114 PHE HD1 H 6.99 0.01 1 1183 . 114 PHE HD2 H 6.99 0.01 1 1184 . 114 PHE HE1 H 7.33 0.01 1 1185 . 114 PHE HE2 H 7.33 0.01 1 1186 . 114 PHE C C 177.95 0.05 1 1187 . 114 PHE CA C 60.90 0.05 1 1188 . 114 PHE CB C 39.23 0.05 1 1189 . 114 PHE CD1 C 131.63 0.05 1 1190 . 114 PHE CD2 C 131.63 0.05 1 1191 . 114 PHE CE1 C 131.51 0.05 1 1192 . 114 PHE CE2 C 131.51 0.05 1 1193 . 114 PHE N N 116.27 0.05 1 1194 . 115 HIS H H 7.51 0.01 1 1195 . 115 HIS HA H 4.41 0.01 1 1196 . 115 HIS HB2 H 3.20 0.01 1 1197 . 115 HIS HB3 H 3.20 0.01 1 1198 . 115 HIS HD2 H 7.20 0.01 1 1199 . 115 HIS C C 178.05 0.05 1 1200 . 115 HIS CA C 58.90 0.05 1 1201 . 115 HIS CB C 31.68 0.05 1 1202 . 115 HIS N N 118.93 0.05 1 1203 . 116 LEU H H 8.73 0.01 1 1204 . 116 LEU HA H 4.14 0.01 1 1205 . 116 LEU HB2 H 1.90 0.01 1 1206 . 116 LEU HB3 H 1.49 0.01 1 1207 . 116 LEU HG H 1.41 0.01 1 1208 . 116 LEU HD1 H 0.93 0.01 1 1209 . 116 LEU HD2 H 0.80 0.01 1 1210 . 116 LEU C C 177.59 0.05 1 1211 . 116 LEU CA C 58.26 0.05 1 1212 . 116 LEU CB C 40.94 0.05 1 1213 . 116 LEU CG C 28.21 0.05 1 1214 . 116 LEU CD1 C 23.42 0.05 1 1215 . 116 LEU CD2 C 26.63 0.05 1 1216 . 116 LEU N N 120.22 0.05 1 1217 . 117 HIS H H 8.57 0.01 1 1218 . 117 HIS HA H 3.75 0.01 1 1219 . 117 HIS HB2 H 3.28 0.01 1 1220 . 117 HIS HB3 H 3.28 0.01 1 1221 . 117 HIS HD2 H 6.98 0.01 1 1222 . 117 HIS C C 176.86 0.05 1 1223 . 117 HIS CA C 62.28 0.05 1 1224 . 117 HIS CB C 31.23 0.05 1 1225 . 117 HIS N N 118.69 0.05 1 1226 . 118 ARG H H 7.53 0.01 1 1227 . 118 ARG HA H 4.00 0.01 1 1228 . 118 ARG HB2 H 1.85 0.01 1 1229 . 118 ARG HB3 H 1.85 0.01 1 1230 . 118 ARG HG2 H 1.72 0.01 1 1231 . 118 ARG HG3 H 1.72 0.01 1 1232 . 118 ARG HD2 H 3.23 0.01 1 1233 . 118 ARG HD3 H 3.23 0.01 1 1234 . 118 ARG C C 179.46 0.05 1 1235 . 118 ARG CA C 59.33 0.05 1 1236 . 118 ARG CB C 30.73 0.05 1 1237 . 118 ARG CG C 27.70 0.05 1 1238 . 118 ARG CD C 43.94 0.05 1 1239 . 118 ARG N N 115.83 0.05 1 1240 . 119 LEU H H 8.52 0.01 1 1241 . 119 LEU HA H 4.28 0.01 1 1242 . 119 LEU HB2 H 1.72 0.01 1 1243 . 119 LEU HB3 H 1.72 0.01 1 1244 . 119 LEU HG H 1.51 0.01 1 1245 . 119 LEU HD1 H 0.90 0.01 1 1246 . 119 LEU C C 179.70 0.05 1 1247 . 119 LEU CA C 57.36 0.05 1 1248 . 119 LEU CB C 42.12 0.05 1 1249 . 119 LEU CG C 27.58 0.05 1 1250 . 119 LEU CD1 C 23.68 0.05 1 1251 . 119 LEU N N 121.18 0.05 1 1252 . 120 PHE H H 9.60 0.01 1 1253 . 120 PHE HA H 3.70 0.01 1 1254 . 120 PHE HB2 H 3.14 0.01 1 1255 . 120 PHE HB3 H 3.04 0.01 1 1256 . 120 PHE HD1 H 7.10 0.01 1 1257 . 120 PHE HD2 H 7.10 0.01 1 1258 . 120 PHE HE1 H 6.91 0.01 1 1259 . 120 PHE HE2 H 6.91 0.01 1 1260 . 120 PHE C C 178.99 0.05 1 1261 . 120 PHE CA C 62.50 0.05 1 1262 . 120 PHE CB C 40.25 0.05 1 1263 . 120 PHE CD1 C 130.51 0.05 1 1264 . 120 PHE CD2 C 130.51 0.05 1 1265 . 120 PHE CE1 C 132.80 0.05 1 1266 . 120 PHE CE2 C 132.80 0.05 1 1267 . 120 PHE N N 124.65 0.05 1 1268 . 121 LYS H H 8.23 0.01 1 1269 . 121 LYS HA H 4.48 0.01 1 1270 . 121 LYS HB2 H 1.89 0.01 1 1271 . 121 LYS HB3 H 1.59 0.01 1 1272 . 121 LYS HG2 H 1.34 0.01 1 1273 . 121 LYS HG3 H 1.18 0.01 1 1274 . 121 LYS HD2 H 1.52 0.01 1 1275 . 121 LYS HD3 H 1.52 0.01 1 1276 . 121 LYS HE2 H 2.94 0.01 1 1277 . 121 LYS HE3 H 2.94 0.01 1 1278 . 121 LYS C C 180.12 0.05 1 1279 . 121 LYS CA C 58.72 0.05 1 1280 . 121 LYS CB C 32.43 0.05 1 1281 . 121 LYS CG C 24.86 0.05 1 1282 . 121 LYS CD C 29.41 0.05 1 1283 . 121 LYS CE C 41.92 0.05 1 1284 . 121 LYS N N 122.19 0.05 1 1285 . 122 ALA H H 8.04 0.01 1 1286 . 122 ALA HA H 4.13 0.01 1 1287 . 122 ALA HB H 1.54 0.01 1 1288 . 122 ALA C C 179.25 0.05 1 1289 . 122 ALA CA C 54.56 0.05 1 1290 . 122 ALA CB C 18.93 0.05 1 1291 . 122 ALA N N 120.97 0.05 1 1292 . 123 THR H H 7.83 0.01 1 1293 . 123 THR HA H 4.04 0.01 1 1294 . 123 THR HB H 3.88 0.01 1 1295 . 123 THR HG2 H 1.05 0.01 1 1296 . 123 THR C C 175.52 0.05 1 1297 . 123 THR CA C 65.80 0.05 1 1298 . 123 THR CB C 69.57 0.05 1 1299 . 123 THR CG2 C 21.38 0.05 1 1300 . 123 THR N N 111.11 0.05 1 1301 . 124 THR H H 8.20 0.01 1 1302 . 124 THR HA H 4.39 0.01 1 1303 . 124 THR HB H 4.35 0.01 1 1304 . 124 THR HG2 H 0.09 0.01 1 1305 . 124 THR C C 176.27 0.05 1 1306 . 124 THR CA C 62.82 0.05 1 1307 . 124 THR CB C 71.65 0.05 1 1308 . 124 THR CG2 C 19.19 0.05 1 1309 . 124 THR N N 108.85 0.05 1 1310 . 125 GLY H H 7.95 0.01 1 1311 . 125 GLY HA2 H 4.38 0.01 1 1312 . 125 GLY HA3 H 3.92 0.01 1 1313 . 125 GLY C C 173.45 0.05 1 1314 . 125 GLY CA C 45.70 0.05 1 1315 . 125 GLY N N 110.60 0.05 1 1316 . 126 MET H H 8.69 0.01 1 1317 . 126 MET HA H 5.08 0.01 1 1318 . 126 MET HB2 H 2.37 0.01 1 1319 . 126 MET HB3 H 2.37 0.01 1 1320 . 126 MET HG2 H 2.66 0.01 1 1321 . 126 MET HG3 H 2.66 0.01 1 1322 . 126 MET HE H 2.12 0.01 1 1323 . 126 MET C C 173.42 0.05 1 1324 . 126 MET CA C 54.28 0.05 1 1325 . 126 MET CB C 38.12 0.05 1 1326 . 126 MET CG C 31.76 0.05 1 1327 . 126 MET CE C 17.90 0.05 1 1328 . 126 MET N N 120.23 0.05 1 1329 . 127 THR H H 7.92 0.01 1 1330 . 127 THR HA H 4.37 0.01 1 1331 . 127 THR HB H 4.83 0.01 1 1332 . 127 THR HG2 H 1.48 0.01 1 1333 . 127 THR CA C 60.33 0.05 1 1334 . 127 THR CB C 68.31 0.05 1 1335 . 127 THR CG2 C 23.33 0.05 1 1336 . 127 THR N N 107.52 0.05 1 1337 . 128 PRO HA H 3.47 0.01 1 1338 . 128 PRO HB2 H 1.41 0.01 1 1339 . 128 PRO HB3 H 1.41 0.01 1 1340 . 128 PRO HD2 H 3.24 0.01 1 1341 . 128 PRO HD3 H 3.96 0.01 1 1342 . 128 PRO C C 177.47 0.05 1 1343 . 128 PRO CA C 66.11 0.05 1 1344 . 128 PRO CB C 31.44 0.05 1 1345 . 128 PRO CD C 49.62 0.05 1 1346 . 129 LYS H H 8.19 0.01 1 1347 . 129 LYS HA H 4.27 0.01 1 1348 . 129 LYS HB2 H 2.06 0.01 1 1349 . 129 LYS HB3 H 1.80 0.01 1 1350 . 129 LYS HG2 H 1.63 0.01 1 1351 . 129 LYS HG3 H 1.63 0.01 1 1352 . 129 LYS HE2 H 3.07 0.01 1 1353 . 129 LYS HE3 H 3.07 0.01 1 1354 . 129 LYS C C 179.11 0.05 1 1355 . 129 LYS CA C 59.54 0.05 1 1356 . 129 LYS CB C 32.85 0.05 1 1357 . 129 LYS CG C 25.12 0.05 1 1358 . 129 LYS CE C 42.13 0.05 1 1359 . 129 LYS N N 116.58 0.05 1 1360 . 130 ALA H H 7.89 0.01 1 1361 . 130 ALA HA H 4.30 0.01 1 1362 . 130 ALA HB H 1.69 0.01 1 1363 . 130 ALA CA C 54.97 0.05 1 1364 . 130 ALA CB C 19.26 0.05 1 1365 . 130 ALA N N 122.35 0.05 1 1366 . 131 TRP HA H 4.32 0.01 1 1367 . 131 TRP HD1 H 7.06 0.01 1 1368 . 131 TRP HE3 H 6.97 0.01 1 1369 . 131 TRP HZ2 H 7.52 0.01 1 1370 . 131 TRP HZ3 H 7.11 0.01 1 1371 . 131 TRP HH2 H 7.30 0.01 1 1372 . 131 TRP CA C 61.80 0.05 1 1373 . 131 TRP CD1 C 126.31 0.05 1 1374 . 131 TRP CE3 C 120.44 0.05 1 1375 . 131 TRP CZ2 C 114.56 0.05 1 1376 . 131 TRP CZ3 C 119.95 0.05 1 1377 . 131 TRP CH2 C 125.40 0.05 1 1378 . 132 GLN HA H 4.07 0.01 1 1379 . 132 GLN HB2 H 2.07 0.01 1 1380 . 132 GLN HB3 H 2.07 0.01 1 1381 . 133 GLN HA H 4.15 0.01 1 1382 . 133 GLN HB2 H 2.33 0.01 1 1383 . 133 GLN HB3 H 2.18 0.01 1 1384 . 133 GLN HG2 H 2.68 0.01 1 1385 . 133 GLN HG3 H 2.54 0.01 1 1386 . 133 GLN C C 178.82 0.05 1 1387 . 133 GLN CA C 59.18 0.05 1 1388 . 133 GLN CB C 28.28 0.05 1 1389 . 133 GLN CG C 34.19 0.05 1 1390 . 134 ALA H H 8.44 0.01 1 1391 . 134 ALA HA H 4.17 0.01 1 1392 . 134 ALA HB H 1.36 0.01 1 1393 . 134 ALA C C 179.73 0.05 1 1394 . 134 ALA CA C 54.88 0.05 1 1395 . 134 ALA CB C 17.68 0.05 1 1396 . 134 ALA N N 122.99 0.05 1 1397 . 135 TRP H H 8.04 0.01 1 1398 . 135 TRP HA H 3.85 0.01 1 1399 . 135 TRP HB2 H 3.68 0.01 1 1400 . 135 TRP HB3 H 3.68 0.01 1 1401 . 135 TRP HD1 H 7.23 0.01 1 1402 . 135 TRP HE3 H 7.50 0.01 1 1403 . 135 TRP HZ2 H 7.40 0.01 1 1404 . 135 TRP HZ3 H 6.73 0.01 1 1405 . 135 TRP HH2 H 7.10 0.01 1 1406 . 135 TRP C C 178.34 0.05 1 1407 . 135 TRP CA C 62.19 0.05 1 1408 . 135 TRP CB C 28.39 0.05 1 1409 . 135 TRP CD1 C 127.06 0.05 1 1410 . 135 TRP CE3 C 120.78 0.05 1 1411 . 135 TRP CZ2 C 114.59 0.05 1 1412 . 135 TRP CZ3 C 121.31 0.05 1 1413 . 135 TRP CH2 C 123.91 0.05 1 1414 . 135 TRP N N 121.54 0.05 1 1415 . 136 ARG H H 8.61 0.01 1 1416 . 136 ARG HA H 3.48 0.01 1 1417 . 136 ARG HB2 H 2.00 0.01 1 1418 . 136 ARG HB3 H 2.00 0.01 1 1419 . 136 ARG HG2 H 2.24 0.01 1 1420 . 136 ARG HG3 H 1.83 0.01 1 1421 . 136 ARG C C 176.06 0.05 1 1422 . 136 ARG CA C 59.88 0.05 1 1423 . 136 ARG CB C 30.72 0.05 1 1424 . 136 ARG CG C 29.04 0.05 1 1425 . 136 ARG N N 119.25 0.05 1 1426 . 137 ALA H H 8.04 0.01 1 1427 . 137 ALA HA H 4.11 0.01 1 1428 . 137 ALA HB H 1.49 0.01 1 1429 . 137 ALA C C 179.90 0.05 1 1430 . 137 ALA CA C 54.56 0.05 1 1431 . 137 ALA CB C 18.11 0.05 1 1432 . 137 ALA N N 120.64 0.05 1 1433 . 138 ARG H H 7.65 0.01 1 1434 . 138 ARG HA H 3.95 0.01 1 1435 . 138 ARG HB2 H 1.74 0.01 1 1436 . 138 ARG HB3 H 1.74 0.01 1 1437 . 138 ARG HG2 H 1.63 0.01 1 1438 . 138 ARG HG3 H 1.44 0.01 1 1439 . 138 ARG HD2 H 3.08 0.01 1 1440 . 138 ARG HD3 H 3.08 0.01 1 1441 . 138 ARG C C 177.85 0.05 1 1442 . 138 ARG CA C 58.77 0.05 1 1443 . 138 ARG CB C 29.82 0.05 1 1444 . 138 ARG CG C 27.51 0.05 1 1445 . 138 ARG CD C 43.55 0.05 1 1446 . 138 ARG N N 118.99 0.05 1 1447 . 139 ARG H H 7.65 0.01 1 1448 . 139 ARG HA H 3.84 0.01 1 1449 . 139 ARG HB2 H 1.47 0.01 1 1450 . 139 ARG HB3 H 1.21 0.01 1 1451 . 139 ARG HG2 H 1.14 0.01 1 1452 . 139 ARG HG3 H 1.04 0.01 1 1453 . 139 ARG HD2 H 2.79 0.01 1 1454 . 139 ARG HD3 H 2.72 0.01 1 1455 . 139 ARG C C 178.43 0.05 1 1456 . 139 ARG CA C 57.60 0.05 1 1457 . 139 ARG CB C 29.47 0.05 1 1458 . 139 ARG CG C 26.26 0.05 1 1459 . 139 ARG CD C 42.85 0.05 1 1460 . 139 ARG N N 119.13 0.05 1 1461 . 140 LEU H H 7.72 0.01 1 1462 . 140 LEU HA H 4.15 0.01 1 1463 . 140 LEU HB2 H 1.69 0.01 1 1464 . 140 LEU HB3 H 1.69 0.01 1 1465 . 140 LEU HD1 H 0.86 0.01 1 1466 . 140 LEU HD2 H 0.89 0.01 1 1467 . 140 LEU C C 178.69 0.05 1 1468 . 140 LEU CA C 56.93 0.05 1 1469 . 140 LEU CB C 42.04 0.05 1 1470 . 140 LEU CD1 C 24.13 0.05 1 1471 . 140 LEU CD2 C 24.77 0.05 1 1472 . 140 LEU N N 120.26 0.05 1 1473 . 141 ARG H H 7.79 0.01 1 1474 . 141 ARG HA H 4.17 0.01 1 1475 . 141 ARG HB2 H 1.90 0.01 1 1476 . 141 ARG HB3 H 1.90 0.01 1 1477 . 141 ARG HG2 H 1.64 0.01 1 1478 . 141 ARG HG3 H 1.64 0.01 1 1479 . 141 ARG HD2 H 3.21 0.01 1 1480 . 141 ARG HD3 H 3.21 0.01 1 1481 . 141 ARG C C 178.02 0.05 1 1482 . 141 ARG CA C 58.04 0.05 1 1483 . 141 ARG CB C 30.52 0.05 1 1484 . 141 ARG CG C 27.49 0.05 1 1485 . 141 ARG CD C 43.51 0.05 1 1486 . 141 ARG N N 119.30 0.05 1 1487 . 142 GLU H H 8.15 0.01 1 1488 . 142 GLU HA H 4.18 0.01 1 1489 . 142 GLU HB2 H 2.07 0.01 1 1490 . 142 GLU HB3 H 1.99 0.01 1 1491 . 142 GLU HG2 H 2.39 0.01 1 1492 . 142 GLU HG3 H 2.27 0.01 1 1493 . 142 GLU C C 177.56 0.05 1 1494 . 142 GLU CA C 57.60 0.05 1 1495 . 142 GLU CB C 30.14 0.05 1 1496 . 142 GLU CG C 36.72 0.05 1 1497 . 142 GLU N N 119.27 0.05 1 1498 . 143 SER H H 8.00 0.01 1 1499 . 143 SER HA H 4.41 0.01 1 1500 . 143 SER HB2 H 3.95 0.01 1 1501 . 143 SER HB3 H 3.95 0.01 1 1502 . 143 SER C C 174.78 0.05 1 1503 . 143 SER CA C 59.36 0.05 1 1504 . 143 SER CB C 63.60 0.05 1 1505 . 143 SER N N 115.27 0.05 1 1506 . 144 LEU H H 7.82 0.01 1 1507 . 144 LEU HA H 4.37 0.01 1 1508 . 144 LEU HB2 H 1.70 0.01 1 1509 . 144 LEU HB3 H 1.63 0.01 1 1510 . 144 LEU HD1 H 0.94 0.01 1 1511 . 144 LEU HD2 H 0.89 0.01 1 1512 . 144 LEU C C 177.03 0.05 1 1513 . 144 LEU CA C 55.37 0.05 1 1514 . 144 LEU CB C 42.31 0.05 1 1515 . 144 LEU CD1 C 25.37 0.05 1 1516 . 144 LEU CD2 C 23.58 0.05 1 1517 . 144 LEU N N 122.77 0.05 1 1518 . 145 ALA H H 7.91 0.01 1 1519 . 145 ALA HA H 4.36 0.01 1 1520 . 145 ALA HB H 1.42 0.01 1 1521 . 145 ALA C C 176.56 0.05 1 1522 . 145 ALA CA C 52.07 0.05 1 1523 . 145 ALA CB C 19.38 0.05 1 1524 . 145 ALA N N 124.29 0.05 1 1525 . 146 LYS H H 7.76 0.01 1 1526 . 146 LYS HA H 4.16 0.01 1 1527 . 146 LYS HB2 H 1.72 0.01 1 1528 . 146 LYS HB3 H 1.72 0.01 1 1529 . 146 LYS CA C 57.80 0.05 1 1530 . 146 LYS CB C 33.76 0.05 1 1531 . 146 LYS N N 125.78 0.05 1 stop_ save_