data_6943 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance Assignment of Bombyx mori Chemosensory Protein 1 ; _BMRB_accession_number 6943 _BMRB_flat_file_name bmr6943.str _Entry_type original _Submission_date 2006-01-20 _Accession_date 2006-01-20 _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 Jansen Severine . . 2 Zidek Lukas . . 3 Lofstedt Christer . . 4 Picimbon Jean-Francois . . 5 Sklenar Vladimir . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 660 "13C chemical shifts" 477 "15N chemical shifts" 114 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-08 update BMRB 'complete entry citation' 2006-08-07 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, and 15N Resonance Assignment of Bombyx mori Chemosensory Protein 1 (BmorCSP1). ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16819588 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jansen Severine . . 2 Zidek Lukas . . 3 Lofstedt Christer . . 4 Picimbon Jean-Francois . . 5 Sklenar Vladimir . . 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 47 _Page_last 47 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'chemosensory protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'chemosensory protein 1' $chemosensory_protein_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_chemosensory_protein_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'chemosensory protein 1' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; YTDKYDKINLQEILENKRLL ESYMDCVLGKGKCTPEGKEL KDHLQEALETGCEKCTEAQE KGAETSIDYLIKNELEIWKE LTAHFDPDGKWRKKYEDRAK AKGIVIPE ; loop_ _Residue_seq_code _Residue_label 1 TYR 2 THR 3 ASP 4 LYS 5 TYR 6 ASP 7 LYS 8 ILE 9 ASN 10 LEU 11 GLN 12 GLU 13 ILE 14 LEU 15 GLU 16 ASN 17 LYS 18 ARG 19 LEU 20 LEU 21 GLU 22 SER 23 TYR 24 MET 25 ASP 26 CYS 27 VAL 28 LEU 29 GLY 30 LYS 31 GLY 32 LYS 33 CYS 34 THR 35 PRO 36 GLU 37 GLY 38 LYS 39 GLU 40 LEU 41 LYS 42 ASP 43 HIS 44 LEU 45 GLN 46 GLU 47 ALA 48 LEU 49 GLU 50 THR 51 GLY 52 CYS 53 GLU 54 LYS 55 CYS 56 THR 57 GLU 58 ALA 59 GLN 60 GLU 61 LYS 62 GLY 63 ALA 64 GLU 65 THR 66 SER 67 ILE 68 ASP 69 TYR 70 LEU 71 ILE 72 LYS 73 ASN 74 GLU 75 LEU 76 GLU 77 ILE 78 TRP 79 LYS 80 GLU 81 LEU 82 THR 83 ALA 84 HIS 85 PHE 86 ASP 87 PRO 88 ASP 89 GLY 90 LYS 91 TRP 92 ARG 93 LYS 94 LYS 95 TYR 96 GLU 97 ASP 98 ARG 99 ALA 100 LYS 101 ALA 102 LYS 103 GLY 104 ILE 105 VAL 106 ILE 107 PRO 108 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-02 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 2JNT "Structure Of Bombyx Mori Chemosensory Protein 1 In Solution" 100.00 108 100.00 100.00 9.06e-71 EMBL CAJ01457 "hypothetical protein [Bombyx mori]" 100.00 127 100.00 100.00 3.54e-71 GB AAM34276 "chemosensory protein CSP1 [Bombyx mori]" 100.00 127 100.00 100.00 3.54e-71 GB AAV34688 "chemosensory protein 1 [Bombyx mori]" 100.00 114 100.00 100.00 6.47e-71 GB ABH88197 "chemosensory protein 4 [Bombyx mori]" 100.00 127 100.00 100.00 3.54e-71 GB ACJ66920 "chemosensory protein CSP1 [Bombyx mori]" 100.00 127 100.00 100.00 3.54e-71 GB AFD97750 "chemosensory protein-1 variant, partial [Bombyx mori]" 100.00 112 99.07 100.00 3.52e-70 REF NP_001037052 "chemosensory protein 4 precursor [Bombyx mori]" 100.00 127 100.00 100.00 3.54e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ $chemosensory_protein_1 'Domestic silkworm' 7091 Eukaryota Metazoa Bombyx mori antennae 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 _Vendor_name $chemosensory_protein_1 'recombinant technology' 'E. coli' Escherichia coli BL21 plasmid pET32a Novagen 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 $chemosensory_protein_1 1.0 mM '[U-95% 13C; U-90% 15N]' 'sodium phosphate' 20 mM . 'sodium azide' 0.05 mM . stop_ save_ ############################ # Computer software used # ############################ save_nmrpipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details . save_ save_sparky _Saveframe_category software _Name SPARKY _Version 3.110 loop_ _Task 'spectra analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label $sample_1 save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $sample_1 save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HCCH_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH_TOCSY _Sample_label $sample_1 save_ save_13C15N_edited_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name 13C15N_edited_NOESY _Sample_label $sample_1 save_ save_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 pH temperature 293 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 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'chemosensory protein 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 TYR C C 176.30 0.2 1 2 1 1 TYR CA C 56.50 0.2 1 3 1 1 TYR CB C 38.40 0.2 1 4 2 2 THR H H 7.84 0.02 1 5 2 2 THR HA H 4.32 0.02 1 6 2 2 THR HB H 4.20 0.02 1 7 2 2 THR HG2 H 1.17 0.02 1 8 2 2 THR CA C 61.90 0.2 1 9 2 2 THR CB C 69.90 0.2 1 10 2 2 THR CG2 C 21.60 0.2 1 11 2 2 THR N N 115.50 0.2 1 12 3 3 ASP H H 8.30 0.02 1 13 3 3 ASP HA H 4.62 0.02 1 14 3 3 ASP HB2 H 2.68 0.02 2 15 3 3 ASP HB3 H 2.58 0.02 2 16 3 3 ASP CA C 54.40 0.2 1 17 3 3 ASP CB C 41.10 0.2 1 18 3 3 ASP N N 123.70 0.2 1 19 4 4 LYS H H 8.16 0.02 1 20 4 4 LYS HA H 4.15 0.02 1 21 4 4 LYS HB2 H 1.61 0.02 1 22 4 4 LYS HB3 H 1.61 0.02 1 23 4 4 LYS HG2 H 1.17 0.02 1 24 4 4 LYS HG3 H 1.17 0.02 1 25 4 4 LYS HD2 H 1.55 0.02 1 26 4 4 LYS HD3 H 1.55 0.02 1 27 4 4 LYS HE2 H 2.88 0.02 1 28 4 4 LYS HE3 H 2.88 0.02 1 29 4 4 LYS C C 176.00 0.2 1 30 4 4 LYS CA C 56.50 0.2 1 31 4 4 LYS CB C 32.90 0.2 1 32 4 4 LYS CG C 24.30 0.2 1 33 4 4 LYS CD C 29.10 0.2 1 34 4 4 LYS CE C 42.00 0.2 1 35 4 4 LYS N N 120.80 0.2 1 36 5 5 TYR H H 8.21 0.02 1 37 5 5 TYR HA H 4.52 0.02 1 38 5 5 TYR HB2 H 3.05 0.02 2 39 5 5 TYR HB3 H 2.86 0.02 2 40 5 5 TYR HD1 H 7.05 0.02 1 41 5 5 TYR HD2 H 7.05 0.02 1 42 5 5 TYR HE1 H 6.75 0.02 1 43 5 5 TYR HE2 H 6.75 0.02 1 44 5 5 TYR C C 175.40 0.2 1 45 5 5 TYR CA C 57.70 0.2 1 46 5 5 TYR CB C 38.50 0.2 1 47 5 5 TYR CD1 C 133.00 0.2 1 48 5 5 TYR CD2 C 133.00 0.2 1 49 5 5 TYR CE1 C 117.90 0.2 1 50 5 5 TYR CE2 C 117.90 0.2 1 51 5 5 TYR N N 120.90 0.2 1 52 6 6 ASP H H 8.19 0.02 1 53 6 6 ASP HA H 4.52 0.02 1 54 6 6 ASP HB2 H 2.57 0.02 2 55 6 6 ASP HB3 H 2.69 0.02 2 56 6 6 ASP CA C 54.30 0.2 1 57 6 6 ASP CB C 41.00 0.2 1 58 6 6 ASP N N 121.60 0.2 1 59 7 7 LYS H H 8.04 0.02 1 60 7 7 LYS HA H 4.26 0.02 1 61 7 7 LYS HB2 H 1.76 0.02 1 62 7 7 LYS HB3 H 1.76 0.02 1 63 7 7 LYS HG2 H 1.35 0.02 1 64 7 7 LYS HG3 H 1.35 0.02 1 65 7 7 LYS HD2 H 1.63 0.02 1 66 7 7 LYS HD3 H 1.63 0.02 1 67 7 7 LYS HE2 H 2.95 0.02 1 68 7 7 LYS HE3 H 2.95 0.02 1 69 7 7 LYS C C 176.40 0.2 1 70 7 7 LYS CA C 56.10 0.2 1 71 7 7 LYS CB C 33.30 0.2 1 72 7 7 LYS CG C 24.60 0.2 1 73 7 7 LYS CD C 28.90 0.2 1 74 7 7 LYS CE C 42.20 0.2 1 75 7 7 LYS N N 120.70 0.2 1 76 8 8 ILE H H 8.22 0.02 1 77 8 8 ILE HA H 4.02 0.02 1 78 8 8 ILE HB H 1.72 0.02 1 79 8 8 ILE HG12 H 1.35 0.02 2 80 8 8 ILE HG13 H 1.06 0.02 2 81 8 8 ILE HG2 H 0.73 0.02 1 82 8 8 ILE HD1 H 0.72 0.02 1 83 8 8 ILE C C 174.90 0.2 1 84 8 8 ILE CA C 61.10 0.2 1 85 8 8 ILE CB C 38.90 0.2 1 86 8 8 ILE CG1 C 27.40 0.2 1 87 8 8 ILE CG2 C 17.30 0.2 1 88 8 8 ILE CD1 C 13.50 0.2 1 89 8 8 ILE N N 121.60 0.2 1 90 9 9 ASN H H 8.48 0.02 1 91 9 9 ASN HA H 4.64 0.02 1 92 9 9 ASN HB2 H 2.90 0.02 2 93 9 9 ASN HB3 H 2.63 0.02 2 94 9 9 ASN HD21 H 7.57 0.02 2 95 9 9 ASN HD22 H 6.88 0.02 2 96 9 9 ASN C C 175.60 0.2 1 97 9 9 ASN CA C 52.10 0.2 1 98 9 9 ASN CB C 38.10 0.2 1 99 9 9 ASN N N 123.60 0.2 1 100 9 9 ASN ND2 N 112.30 0.2 1 101 10 10 LEU H H 8.28 0.02 1 102 10 10 LEU HA H 3.78 0.02 1 103 10 10 LEU HB2 H 1.45 0.02 2 104 10 10 LEU HB3 H 1.09 0.02 2 105 10 10 LEU HG H 1.45 0.02 1 106 10 10 LEU HD1 H 0.53 0.02 2 107 10 10 LEU HD2 H 0.38 0.02 2 108 10 10 LEU C C 176.10 0.2 1 109 10 10 LEU CA C 57.50 0.2 1 110 10 10 LEU CB C 41.30 0.2 1 111 10 10 LEU CG C 26.60 0.2 1 112 10 10 LEU CD1 C 23.30 0.2 2 113 10 10 LEU CD2 C 24.60 0.2 2 114 10 10 LEU N N 123.80 0.2 1 115 11 11 GLN H H 7.92 0.02 1 116 11 11 GLN HA H 3.62 0.02 1 117 11 11 GLN HB2 H 1.96 0.02 2 118 11 11 GLN HB3 H 1.84 0.02 2 119 11 11 GLN HG2 H 2.16 0.02 1 120 11 11 GLN HG3 H 2.16 0.02 1 121 11 11 GLN HE21 H 7.84 0.02 2 122 11 11 GLN HE22 H 5.79 0.02 2 123 11 11 GLN C C 177.20 0.2 1 124 11 11 GLN CA C 58.80 0.2 1 125 11 11 GLN CB C 27.30 0.2 1 126 11 11 GLN CG C 32.80 0.2 1 127 11 11 GLN N N 118.50 0.2 1 128 11 11 GLN NE2 N 110.50 0.2 1 129 12 12 GLU H H 7.25 0.02 1 130 12 12 GLU HA H 3.83 0.02 1 131 12 12 GLU HB2 H 1.93 0.02 2 132 12 12 GLU HG2 H 2.17 0.02 1 133 12 12 GLU HG3 H 2.17 0.02 1 134 12 12 GLU C C 178.90 0.2 1 135 12 12 GLU CA C 58.50 0.2 1 136 12 12 GLU CB C 29.60 0.2 1 137 12 12 GLU CG C 36.60 0.2 1 138 12 12 GLU N N 115.70 0.2 1 139 13 13 ILE H H 7.10 0.02 1 140 13 13 ILE HA H 3.63 0.02 1 141 13 13 ILE HB H 1.87 0.02 1 142 13 13 ILE HG12 H 1.69 0.02 2 143 13 13 ILE HG13 H 0.94 0.02 2 144 13 13 ILE HG2 H 0.74 0.02 1 145 13 13 ILE HD1 H 0.67 0.02 1 146 13 13 ILE C C 176.40 0.2 1 147 13 13 ILE CA C 64.90 0.2 1 148 13 13 ILE CB C 38.00 0.2 1 149 13 13 ILE CG1 C 28.50 0.2 1 150 13 13 ILE CG2 C 18.00 0.2 1 151 13 13 ILE CD1 C 14.00 0.2 1 152 13 13 ILE N N 117.90 0.2 1 153 14 14 LEU H H 7.52 0.02 1 154 14 14 LEU HA H 3.78 0.02 1 155 14 14 LEU HB2 H 1.45 0.02 2 156 14 14 LEU HB3 H 1.10 0.02 2 157 14 14 LEU HG H 1.76 0.02 1 158 14 14 LEU HD1 H 0.84 0.02 2 159 14 14 LEU HD2 H 0.84 0.02 2 160 14 14 LEU C C 177.10 0.2 1 161 14 14 LEU CA C 57.70 0.2 1 162 14 14 LEU CB C 41.40 0.2 1 163 14 14 LEU CG C 26.90 0.2 1 164 14 14 LEU CD1 C 26.00 0.2 2 165 14 14 LEU CD2 C 24.10 0.2 2 166 14 14 LEU N N 114.90 0.2 1 167 15 15 GLU H H 7.17 0.02 1 168 15 15 GLU HA H 4.01 0.02 1 169 15 15 GLU HB2 H 2.01 0.02 2 170 15 15 GLU HB3 H 1.66 0.02 2 171 15 15 GLU HG2 H 2.14 0.02 2 172 15 15 GLU HG3 H 2.12 0.02 2 173 15 15 GLU C C 175.40 0.2 1 174 15 15 GLU CA C 56.40 0.2 1 175 15 15 GLU CB C 29.40 0.2 1 176 15 15 GLU CG C 36.40 0.2 1 177 15 15 GLU N N 110.20 0.2 1 178 16 16 ASN H H 7.43 0.02 1 179 16 16 ASN HA H 4.83 0.02 1 180 16 16 ASN HB2 H 3.24 0.02 2 181 16 16 ASN HB3 H 2.64 0.02 2 182 16 16 ASN HD21 H 7.93 0.02 2 183 16 16 ASN HD22 H 6.81 0.02 2 184 16 16 ASN C C 173.60 0.2 1 185 16 16 ASN CA C 51.20 0.2 1 186 16 16 ASN CB C 38.60 0.2 1 187 16 16 ASN N N 120.30 0.2 1 188 16 16 ASN ND2 N 112.80 0.2 1 189 17 17 LYS H H 8.37 0.02 1 190 17 17 LYS HA H 3.86 0.02 1 191 17 17 LYS HB2 H 1.96 0.02 2 192 17 17 LYS HB3 H 1.80 0.02 2 193 17 17 LYS HG2 H 1.49 0.02 1 194 17 17 LYS HG3 H 1.49 0.02 1 195 17 17 LYS HD2 H 1.79 0.02 2 196 17 17 LYS HD3 H 1.50 0.02 2 197 17 17 LYS HE2 H 3.03 0.02 2 198 17 17 LYS HE3 H 3.05 0.02 2 199 17 17 LYS C C 177.70 0.2 1 200 17 17 LYS CA C 60.10 0.2 1 201 17 17 LYS CB C 32.60 0.2 1 202 17 17 LYS CG C 24.40 0.2 1 203 17 17 LYS CD C 28.70 0.2 1 204 17 17 LYS CE C 42.10 0.2 1 205 17 17 LYS N N 124.80 0.2 1 206 18 18 ARG H H 8.18 0.02 1 207 18 18 ARG HA H 4.13 0.02 1 208 18 18 ARG HB2 H 1.86 0.02 2 209 18 18 ARG HB3 H 1.82 0.02 2 210 18 18 ARG HG2 H 1.71 0.02 2 211 18 18 ARG HG3 H 1.64 0.02 2 212 18 18 ARG HD2 H 3.23 0.02 2 213 18 18 ARG HD3 H 3.19 0.02 2 214 18 18 ARG HE H 7.31 0.02 1 215 18 18 ARG C C 179.50 0.2 1 216 18 18 ARG CA C 58.70 0.2 1 217 18 18 ARG CB C 29.70 0.2 1 218 18 18 ARG CG C 27.00 0.2 1 219 18 18 ARG CD C 43.00 0.2 1 220 18 18 ARG N N 115.50 0.2 1 221 18 18 ARG NE N 84.30 0.2 1 222 19 19 LEU H H 7.45 0.02 1 223 19 19 LEU HA H 3.95 0.02 1 224 19 19 LEU HB2 H 1.63 0.02 2 225 19 19 LEU HB3 H 1.60 0.02 2 226 19 19 LEU HG H 1.29 0.02 1 227 19 19 LEU HD1 H 0.86 0.02 2 228 19 19 LEU HD2 H 0.76 0.02 2 229 19 19 LEU C C 179.10 0.2 1 230 19 19 LEU CA C 56.80 0.2 1 231 19 19 LEU CB C 42.00 0.2 1 232 19 19 LEU CG C 26.70 0.2 1 233 19 19 LEU CD1 C 25.00 0.2 2 234 19 19 LEU CD2 C 23.70 0.2 2 235 19 19 LEU N N 121.90 0.2 1 236 20 20 LEU H H 8.82 0.02 1 237 20 20 LEU HA H 3.78 0.02 1 238 20 20 LEU HB2 H 1.93 0.02 2 239 20 20 LEU HB3 H 1.91 0.02 2 240 20 20 LEU HG H 1.51 0.02 1 241 20 20 LEU HD1 H 1.06 0.02 2 242 20 20 LEU HD2 H 0.92 0.02 2 243 20 20 LEU C C 179.20 0.2 1 244 20 20 LEU CA C 59.10 0.2 1 245 20 20 LEU CB C 40.80 0.2 1 246 20 20 LEU CG C 27.30 0.2 1 247 20 20 LEU CD1 C 26.20 0.2 2 248 20 20 LEU CD2 C 23.30 0.2 2 249 20 20 LEU N N 122.20 0.2 1 250 21 21 GLU H H 8.49 0.02 1 251 21 21 GLU HA H 3.83 0.02 1 252 21 21 GLU HB2 H 2.13 0.02 2 253 21 21 GLU HB3 H 1.97 0.02 2 254 21 21 GLU HG2 H 2.49 0.02 2 255 21 21 GLU HG3 H 2.17 0.02 2 256 21 21 GLU C C 179.80 0.2 1 257 21 21 GLU CA C 59.90 0.2 1 258 21 21 GLU CB C 29.40 0.2 1 259 21 21 GLU CG C 37.10 0.2 1 260 21 21 GLU N N 115.20 0.2 1 261 22 22 SER H H 7.71 0.02 1 262 22 22 SER HA H 4.33 0.02 1 263 22 22 SER HB2 H 3.92 0.02 1 264 22 22 SER HB3 H 3.92 0.02 1 265 22 22 SER C C 175.90 0.2 1 266 22 22 SER CA C 61.00 0.2 1 267 22 22 SER CB C 62.90 0.2 1 268 22 22 SER N N 115.80 0.2 1 269 23 23 TYR H H 7.87 0.02 1 270 23 23 TYR HA H 4.91 0.02 1 271 23 23 TYR HB2 H 3.22 0.02 2 272 23 23 TYR HB3 H 2.88 0.02 2 273 23 23 TYR HD1 H 6.96 0.02 1 274 23 23 TYR HD2 H 6.96 0.02 1 275 23 23 TYR HE1 H 6.58 0.02 1 276 23 23 TYR HE2 H 6.58 0.02 1 277 23 23 TYR C C 177.10 0.2 1 278 23 23 TYR CA C 57.50 0.2 1 279 23 23 TYR CB C 39.40 0.2 1 280 23 23 TYR CD1 C 131.40 0.2 1 281 23 23 TYR CD2 C 131.40 0.2 1 282 23 23 TYR CE1 C 117.30 0.2 1 283 23 23 TYR CE2 C 117.30 0.2 1 284 23 23 TYR N N 121.30 0.2 1 285 24 24 MET H H 7.75 0.02 1 286 24 24 MET HA H 4.43 0.02 1 287 24 24 MET HB2 H 2.23 0.02 1 288 24 24 MET HB3 H 2.23 0.02 1 289 24 24 MET HG2 H 1.93 0.02 1 290 24 24 MET HG3 H 1.93 0.02 1 291 24 24 MET C C 177.90 0.2 1 292 24 24 MET CA C 57.30 0.2 1 293 24 24 MET CB C 30.30 0.2 1 294 24 24 MET CG C 30.20 0.2 1 295 24 24 MET N N 120.90 0.2 1 296 25 25 ASP H H 8.63 0.02 1 297 25 25 ASP HA H 4.20 0.02 1 298 25 25 ASP HB2 H 2.71 0.02 2 299 25 25 ASP HB3 H 2.11 0.02 2 300 25 25 ASP C C 178.60 0.2 1 301 25 25 ASP CA C 58.00 0.2 1 302 25 25 ASP CB C 38.90 0.2 1 303 25 25 ASP N N 119.50 0.2 1 304 26 26 CYS H H 7.84 0.02 1 305 26 26 CYS HA H 4.37 0.02 1 306 26 26 CYS HB2 H 3.51 0.02 2 307 26 26 CYS HB3 H 3.30 0.02 2 308 26 26 CYS C C 177.90 0.2 1 309 26 26 CYS CA C 58.60 0.2 1 310 26 26 CYS CB C 39.90 0.2 1 311 26 26 CYS N N 119.40 0.2 1 312 27 27 VAL H H 8.36 0.02 1 313 27 27 VAL HA H 3.42 0.02 1 314 27 27 VAL HB H 2.29 0.02 1 315 27 27 VAL HG1 H 1.06 0.02 2 316 27 27 VAL HG2 H 0.99 0.02 2 317 27 27 VAL C C 176.30 0.2 1 318 27 27 VAL CA C 66.70 0.2 1 319 27 27 VAL CB C 31.50 0.2 1 320 27 27 VAL CG1 C 23.30 0.2 2 321 27 27 VAL CG2 C 22.70 0.2 2 322 27 27 VAL N N 121.20 0.2 1 323 28 28 LEU H H 8.22 0.02 1 324 28 28 LEU HA H 3.35 0.02 1 325 28 28 LEU HB2 H 1.52 0.02 2 326 28 28 LEU HB3 H 1.16 0.02 2 327 28 28 LEU HG H 1.56 0.02 1 328 28 28 LEU HD1 H 0.69 0.02 2 329 28 28 LEU HD2 H 0.27 0.02 2 330 28 28 LEU C C 176.60 0.2 1 331 28 28 LEU CA C 54.20 0.2 1 332 28 28 LEU CB C 41.70 0.2 1 333 28 28 LEU CG C 26.50 0.2 1 334 28 28 LEU CD1 C 25.60 0.2 2 335 28 28 LEU CD2 C 22.30 0.2 2 336 28 28 LEU N N 113.50 0.2 1 337 29 29 GLY H H 7.71 0.02 1 338 29 29 GLY HA2 H 4.08 0.02 2 339 29 29 GLY HA3 H 4.05 0.02 2 340 29 29 GLY C C 175.00 0.2 1 341 29 29 GLY CA C 46.30 0.2 1 342 29 29 GLY N N 107.10 0.2 1 343 30 30 LYS H H 8.54 0.02 1 344 30 30 LYS HA H 4.32 0.02 1 345 30 30 LYS HB2 H 1.86 0.02 2 346 30 30 LYS HB3 H 1.50 0.02 2 347 30 30 LYS HG2 H 1.51 0.02 2 348 30 30 LYS HG3 H 1.17 0.02 2 349 30 30 LYS HD2 H 1.56 0.02 1 350 30 30 LYS HD3 H 1.56 0.02 1 351 30 30 LYS HE2 H 2.83 0.02 1 352 30 30 LYS HE3 H 2.83 0.02 1 353 30 30 LYS C C 175.80 0.2 1 354 30 30 LYS CA C 56.10 0.2 1 355 30 30 LYS CB C 33.90 0.2 1 356 30 30 LYS CG C 25.00 0.2 1 357 30 30 LYS CD C 29.40 0.2 1 358 30 30 LYS CE C 41.90 0.2 1 359 30 30 LYS N N 118.00 0.2 1 360 31 31 GLY H H 7.15 0.02 1 361 31 31 GLY HA2 H 3.71 0.02 2 362 31 31 GLY HA3 H 4.28 0.02 2 363 31 31 GLY C C 171.70 0.2 1 364 31 31 GLY CA C 44.10 0.2 1 365 31 31 GLY N N 105.70 0.2 1 366 32 32 LYS H H 8.38 0.02 1 367 32 32 LYS HA H 4.26 0.02 1 368 32 32 LYS HB2 H 1.76 0.02 1 369 32 32 LYS HB3 H 1.76 0.02 1 370 32 32 LYS HG2 H 1.39 0.02 1 371 32 32 LYS HG3 H 1.39 0.02 1 372 32 32 LYS HD2 H 1.65 0.02 1 373 32 32 LYS HD3 H 1.65 0.02 1 374 32 32 LYS HE2 H 2.97 0.02 2 375 32 32 LYS C C 177.00 0.2 1 376 32 32 LYS CA C 56.50 0.2 1 377 32 32 LYS CB C 33.20 0.2 1 378 32 32 LYS CG C 24.70 0.2 1 379 32 32 LYS CD C 29.00 0.2 1 380 32 32 LYS CE C 42.10 0.2 1 381 32 32 LYS N N 118.60 0.2 1 382 33 33 CYS H H 8.83 0.02 1 383 33 33 CYS HA H 5.00 0.02 1 384 33 33 CYS HB2 H 3.21 0.02 2 385 33 33 CYS HB3 H 2.86 0.02 2 386 33 33 CYS C C 176.50 0.2 1 387 33 33 CYS CA C 55.10 0.2 1 388 33 33 CYS CB C 45.60 0.2 1 389 33 33 CYS N N 119.60 0.2 1 390 34 34 THR H H 8.62 0.02 1 391 34 34 THR HA H 4.70 0.02 1 392 34 34 THR HB H 4.83 0.02 1 393 34 34 THR HG2 H 1.43 0.02 1 394 34 34 THR CA C 60.30 0.2 1 395 34 34 THR CB C 68.20 0.2 1 396 34 34 THR CG2 C 22.40 0.2 1 397 34 34 THR N N 116.10 0.2 1 398 35 35 PRO HA H 4.14 0.02 1 399 35 35 PRO HB2 H 2.33 0.02 2 400 35 35 PRO HB3 H 1.80 0.02 2 401 35 35 PRO HG2 H 2.21 0.02 2 402 35 35 PRO HG3 H 1.95 0.02 2 403 35 35 PRO HD2 H 3.86 0.02 1 404 35 35 PRO HD3 H 3.86 0.02 1 405 35 35 PRO C C 179.50 0.2 1 406 35 35 PRO CA C 66.60 0.2 1 407 35 35 PRO CB C 31.60 0.2 1 408 35 35 PRO CG C 28.50 0.2 1 409 35 35 PRO CD C 50.20 0.2 1 410 36 36 GLU H H 8.96 0.02 1 411 36 36 GLU HA H 3.83 0.02 1 412 36 36 GLU HB2 H 2.16 0.02 2 413 36 36 GLU HB3 H 1.97 0.02 2 414 36 36 GLU HG2 H 2.33 0.02 2 415 36 36 GLU HG3 H 2.14 0.02 2 416 36 36 GLU C C 178.00 0.2 1 417 36 36 GLU CA C 60.40 0.2 1 418 36 36 GLU CB C 29.00 0.2 1 419 36 36 GLU CG C 36.10 0.2 1 420 36 36 GLU N N 117.10 0.2 1 421 37 37 GLY H H 7.38 0.02 1 422 37 37 GLY HA2 H 3.06 0.02 2 423 37 37 GLY HA3 H 3.75 0.02 2 424 37 37 GLY C C 175.20 0.2 1 425 37 37 GLY CA C 47.50 0.2 1 426 37 37 GLY N N 107.60 0.2 1 427 38 38 LYS H H 8.55 0.02 1 428 38 38 LYS HA H 3.85 0.02 1 429 38 38 LYS HB2 H 1.96 0.02 2 430 38 38 LYS HB3 H 1.68 0.02 2 431 38 38 LYS HG2 H 1.40 0.02 1 432 38 38 LYS HG3 H 1.40 0.02 1 433 38 38 LYS HD2 H 1.77 0.02 2 434 38 38 LYS HD3 H 1.54 0.02 2 435 38 38 LYS HE2 H 2.96 0.02 1 436 38 38 LYS HE3 H 2.96 0.02 1 437 38 38 LYS C C 177.50 0.2 1 438 38 38 LYS CA C 59.00 0.2 1 439 38 38 LYS CB C 32.30 0.2 1 440 38 38 LYS CG C 25.10 0.2 1 441 38 38 LYS CD C 28.70 0.2 1 442 38 38 LYS CE C 42.20 0.2 1 443 38 38 LYS N N 121.80 0.2 1 444 39 39 GLU H H 7.47 0.02 1 445 39 39 GLU HA H 4.03 0.02 1 446 39 39 GLU HB2 H 2.04 0.02 2 447 39 39 GLU HB3 H 2.00 0.02 2 448 39 39 GLU HG2 H 2.32 0.02 2 449 39 39 GLU HG3 H 2.18 0.02 2 450 39 39 GLU C C 179.50 0.2 1 451 39 39 GLU CA C 59.50 0.2 1 452 39 39 GLU CB C 29.10 0.2 1 453 39 39 GLU CG C 36.10 0.2 1 454 39 39 GLU N N 118.00 0.2 1 455 40 40 LEU H H 7.64 0.02 1 456 40 40 LEU HA H 3.97 0.02 1 457 40 40 LEU HB2 H 1.98 0.02 2 458 40 40 LEU HB3 H 1.24 0.02 2 459 40 40 LEU HG H 1.51 0.02 1 460 40 40 LEU HD1 H 0.85 0.02 2 461 40 40 LEU HD2 H 0.79 0.02 2 462 40 40 LEU C C 177.60 0.2 1 463 40 40 LEU CA C 58.20 0.2 1 464 40 40 LEU CB C 41.40 0.2 1 465 40 40 LEU CG C 27.20 0.2 1 466 40 40 LEU CD1 C 23.30 0.2 2 467 40 40 LEU CD2 C 26.20 0.2 2 468 40 40 LEU N N 120.70 0.2 1 469 41 41 LYS H H 8.85 0.02 1 470 41 41 LYS HA H 3.80 0.02 1 471 41 41 LYS HB2 H 2.17 0.02 1 472 41 41 LYS HB3 H 2.17 0.02 1 473 41 41 LYS HG2 H 1.80 0.02 2 474 41 41 LYS HG3 H 1.71 0.02 2 475 41 41 LYS HD2 H 1.92 0.02 2 476 41 41 LYS HD3 H 1.79 0.02 2 477 41 41 LYS HE2 H 3.14 0.02 2 478 41 41 LYS C C 177.30 0.2 1 479 41 41 LYS CA C 60.90 0.2 1 480 41 41 LYS CB C 32.50 0.2 1 481 41 41 LYS CG C 24.60 0.2 1 482 41 41 LYS CD C 29.80 0.2 1 483 41 41 LYS CE C 42.30 0.2 1 484 41 41 LYS N N 120.20 0.2 1 485 42 42 ASP H H 8.83 0.02 1 486 42 42 ASP HA H 4.28 0.02 1 487 42 42 ASP HB2 H 2.70 0.02 2 488 42 42 ASP HB3 H 2.62 0.02 2 489 42 42 ASP C C 179.00 0.2 1 490 42 42 ASP CA C 57.50 0.2 1 491 42 42 ASP CB C 39.70 0.2 1 492 42 42 ASP N N 118.10 0.2 1 493 43 43 HIS H H 7.78 0.02 1 494 43 43 HIS HA H 4.30 0.02 1 495 43 43 HIS HB2 H 3.32 0.02 2 496 43 43 HIS HB3 H 3.14 0.02 2 497 43 43 HIS C C 178.00 0.2 1 498 43 43 HIS CA C 58.90 0.2 1 499 43 43 HIS CB C 28.40 0.2 1 500 43 43 HIS N N 119.20 0.2 1 501 44 44 LEU H H 8.12 0.02 1 502 44 44 LEU HA H 3.78 0.02 1 503 44 44 LEU HB2 H 1.61 0.02 2 504 44 44 LEU HB3 H 1.83 0.02 2 505 44 44 LEU HG H 0.91 0.02 1 506 44 44 LEU HD1 H 0.84 0.02 2 507 44 44 LEU HD2 H 0.76 0.02 2 508 44 44 LEU C C 177.60 0.2 1 509 44 44 LEU CA C 57.20 0.2 1 510 44 44 LEU CB C 42.30 0.2 1 511 44 44 LEU CG C 26.10 0.2 1 512 44 44 LEU CD1 C 24.90 0.2 2 513 44 44 LEU CD2 C 23.60 0.2 2 514 44 44 LEU N N 117.90 0.2 1 515 45 45 GLN H H 9.10 0.02 1 516 45 45 GLN HA H 4.08 0.02 1 517 45 45 GLN HB2 H 2.08 0.02 2 518 45 45 GLN HG2 H 2.01 0.02 2 519 45 45 GLN HE21 H 8.11 0.02 2 520 45 45 GLN HE22 H 6.72 0.02 2 521 45 45 GLN C C 177.90 0.2 1 522 45 45 GLN CA C 59.50 0.2 1 523 45 45 GLN CB C 27.80 0.2 1 524 45 45 GLN CG C 32.70 0.2 1 525 45 45 GLN N N 120.40 0.2 1 526 45 45 GLN NE2 N 111.80 0.2 1 527 46 46 GLU H H 7.75 0.02 1 528 46 46 GLU HA H 3.93 0.02 1 529 46 46 GLU HB2 H 2.00 0.02 2 530 46 46 GLU HB3 H 1.82 0.02 2 531 46 46 GLU HG2 H 2.02 0.02 1 532 46 46 GLU HG3 H 2.02 0.02 1 533 46 46 GLU C C 180.40 0.2 1 534 46 46 GLU CA C 59.30 0.2 1 535 46 46 GLU CB C 29.20 0.2 1 536 46 46 GLU CG C 36.30 0.2 1 537 46 46 GLU N N 117.70 0.2 1 538 47 47 ALA H H 7.35 0.02 1 539 47 47 ALA HA H 3.75 0.02 1 540 47 47 ALA HB H 1.12 0.02 1 541 47 47 ALA C C 176.50 0.2 1 542 47 47 ALA CA C 55.40 0.2 1 543 47 47 ALA CB C 18.00 0.2 1 544 47 47 ALA N N 120.10 0.2 1 545 48 48 LEU H H 8.35 0.02 1 546 48 48 LEU HA H 4.39 0.02 1 547 48 48 LEU HB2 H 1.66 0.02 2 548 48 48 LEU HB3 H 1.63 0.02 2 549 48 48 LEU HG H 1.81 0.02 1 550 48 48 LEU HD1 H 0.90 0.02 2 551 48 48 LEU HD2 H 0.83 0.02 2 552 48 48 LEU C C 175.90 0.2 1 553 48 48 LEU CA C 56.90 0.2 1 554 48 48 LEU CB C 42.60 0.2 1 555 48 48 LEU CG C 27.80 0.2 1 556 48 48 LEU CD1 C 23.50 0.2 2 557 48 48 LEU CD2 C 26.20 0.2 2 558 48 48 LEU N N 115.80 0.2 1 559 49 49 GLU H H 8.68 0.02 1 560 49 49 GLU HA H 4.74 0.02 1 561 49 49 GLU HB2 H 2.26 0.02 2 562 49 49 GLU HB3 H 2.17 0.02 2 563 49 49 GLU HG2 H 2.77 0.02 2 564 49 49 GLU HG3 H 2.41 0.02 2 565 49 49 GLU C C 178.80 0.2 1 566 49 49 GLU CA C 58.00 0.2 1 567 49 49 GLU CB C 31.70 0.2 1 568 49 49 GLU CG C 37.40 0.2 1 569 49 49 GLU N N 114.80 0.2 1 570 50 50 THR H H 6.72 0.02 1 571 50 50 THR HA H 4.82 0.02 1 572 50 50 THR HB H 4.58 0.02 1 573 50 50 THR HG2 H 1.23 0.02 1 574 50 50 THR C C 175.00 0.2 1 575 50 50 THR CA C 60.10 0.2 1 576 50 50 THR CB C 71.30 0.2 1 577 50 50 THR CG2 C 21.60 0.2 1 578 50 50 THR N N 102.00 0.2 1 579 51 51 GLY H H 6.12 0.02 1 580 51 51 GLY HA2 H 3.82 0.02 1 581 51 51 GLY HA3 H 3.82 0.02 1 582 51 51 GLY C C 174.30 0.2 1 583 51 51 GLY CA C 45.90 0.2 1 584 51 51 GLY N N 109.70 0.2 1 585 52 52 CYS H H 8.12 0.02 1 586 52 52 CYS HA H 3.99 0.02 1 587 52 52 CYS HB2 H 2.44 0.02 2 588 52 52 CYS HB3 H 2.42 0.02 2 589 52 52 CYS C C 176.90 0.2 1 590 52 52 CYS CA C 56.80 0.2 1 591 52 52 CYS CB C 34.90 0.2 1 592 52 52 CYS N N 118.00 0.2 1 593 53 53 GLU H H 7.21 0.02 1 594 53 53 GLU HA H 3.83 0.02 1 595 53 53 GLU HB2 H 2.15 0.02 2 596 53 53 GLU HB3 H 1.85 0.02 2 597 53 53 GLU HG2 H 2.17 0.02 1 598 53 53 GLU HG3 H 2.17 0.02 1 599 53 53 GLU C C 177.80 0.2 1 600 53 53 GLU CA C 60.30 0.2 1 601 53 53 GLU CB C 29.70 0.2 1 602 53 53 GLU CG C 36.60 0.2 1 603 53 53 GLU N N 119.70 0.2 1 604 54 54 LYS H H 8.93 0.02 1 605 54 54 LYS HA H 4.43 0.02 1 606 54 54 LYS HB2 H 2.00 0.02 1 607 54 54 LYS HB3 H 2.00 0.02 1 608 54 54 LYS HG2 H 1.37 0.02 2 609 54 54 LYS HG3 H 1.32 0.02 2 610 54 54 LYS HD2 H 1.60 0.02 1 611 54 54 LYS HD3 H 1.60 0.02 1 612 54 54 LYS HE2 H 2.95 0.02 1 613 54 54 LYS HE3 H 2.95 0.02 1 614 54 54 LYS C C 176.30 0.2 1 615 54 54 LYS CA C 55.00 0.2 1 616 54 54 LYS CB C 31.40 0.2 1 617 54 54 LYS CG C 25.00 0.2 1 618 54 54 LYS CD C 29.00 0.2 1 619 54 54 LYS CE C 42.20 0.2 1 620 54 54 LYS N N 115.70 0.2 1 621 55 55 CYS H H 7.34 0.02 1 622 55 55 CYS HA H 4.26 0.02 1 623 55 55 CYS HB2 H 3.28 0.02 2 624 55 55 CYS HB3 H 3.04 0.02 2 625 55 55 CYS C C 175.90 0.2 1 626 55 55 CYS CA C 54.70 0.2 1 627 55 55 CYS CB C 39.70 0.2 1 628 55 55 CYS N N 119.00 0.2 1 629 56 56 THR H H 8.62 0.02 1 630 56 56 THR HA H 4.39 0.02 1 631 56 56 THR HB H 4.70 0.02 1 632 56 56 THR HG2 H 1.32 0.02 1 633 56 56 THR C C 174.90 0.2 1 634 56 56 THR CA C 61.10 0.2 1 635 56 56 THR CB C 70.90 0.2 1 636 56 56 THR CG2 C 21.90 0.2 1 637 56 56 THR N N 113.90 0.2 1 638 57 57 GLU H H 8.99 0.02 1 639 57 57 GLU HA H 4.09 0.02 1 640 57 57 GLU HB2 H 2.09 0.02 2 641 57 57 GLU HB3 H 2.01 0.02 2 642 57 57 GLU HG2 H 2.37 0.02 2 643 57 57 GLU HG3 H 2.21 0.02 2 644 57 57 GLU C C 179.00 0.2 1 645 57 57 GLU CA C 60.20 0.2 1 646 57 57 GLU CB C 29.30 0.2 1 647 57 57 GLU CG C 36.60 0.2 1 648 57 57 GLU N N 122.10 0.2 1 649 58 58 ALA H H 8.48 0.02 1 650 58 58 ALA HA H 4.09 0.02 1 651 58 58 ALA HB H 1.38 0.02 1 652 58 58 ALA C C 181.70 0.2 1 653 58 58 ALA CA C 55.00 0.2 1 654 58 58 ALA CB C 18.30 0.2 1 655 58 58 ALA N N 120.10 0.2 1 656 59 59 GLN H H 7.74 0.02 1 657 59 59 GLN HA H 4.06 0.02 1 658 59 59 GLN HB2 H 2.08 0.02 2 659 59 59 GLN HB3 H 2.01 0.02 2 660 59 59 GLN HG2 H 2.38 0.02 1 661 59 59 GLN HG3 H 2.38 0.02 1 662 59 59 GLN HE21 H 7.50 0.02 2 663 59 59 GLN HE22 H 6.84 0.02 2 664 59 59 GLN C C 179.10 0.2 1 665 59 59 GLN CA C 58.40 0.2 1 666 59 59 GLN CB C 28.40 0.2 1 667 59 59 GLN CG C 34.10 0.2 1 668 59 59 GLN N N 119.60 0.2 1 669 59 59 GLN NE2 N 111.70 0.2 1 670 60 60 GLU H H 8.93 0.02 1 671 60 60 GLU HA H 4.10 0.02 1 672 60 60 GLU HB2 H 2.03 0.02 1 673 60 60 GLU HB3 H 2.03 0.02 1 674 60 60 GLU HG2 H 2.31 0.02 2 675 60 60 GLU HG3 H 2.17 0.02 2 676 60 60 GLU C C 179.00 0.2 1 677 60 60 GLU CA C 60.00 0.2 1 678 60 60 GLU CB C 29.30 0.2 1 679 60 60 GLU CG C 36.30 0.2 1 680 60 60 GLU N N 122.40 0.2 1 681 61 61 LYS H H 8.21 0.02 1 682 61 61 LYS HA H 4.15 0.02 1 683 61 61 LYS HB2 H 1.88 0.02 1 684 61 61 LYS HB3 H 1.88 0.02 1 685 61 61 LYS HG2 H 1.49 0.02 2 686 61 61 LYS HG3 H 1.51 0.02 2 687 61 61 LYS HD2 H 1.65 0.02 2 688 61 61 LYS HD3 H 1.58 0.02 2 689 61 61 LYS HE2 H 2.93 0.02 1 690 61 61 LYS HE3 H 2.93 0.02 1 691 61 61 LYS C C 180.00 0.2 1 692 61 61 LYS CA C 58.90 0.2 1 693 61 61 LYS CB C 31.90 0.2 1 694 61 61 LYS CG C 25.00 0.2 1 695 61 61 LYS CD C 29.10 0.2 1 696 61 61 LYS CE C 42.20 0.2 1 697 61 61 LYS N N 119.90 0.2 1 698 62 62 GLY H H 8.13 0.02 1 699 62 62 GLY HA2 H 3.88 0.02 1 700 62 62 GLY HA3 H 3.88 0.02 1 701 62 62 GLY C C 176.20 0.2 1 702 62 62 GLY CA C 47.00 0.2 1 703 62 62 GLY N N 107.80 0.2 1 704 63 63 ALA H H 8.28 0.02 1 705 63 63 ALA HA H 4.07 0.02 1 706 63 63 ALA HB H 1.25 0.02 1 707 63 63 ALA C C 178.70 0.2 1 708 63 63 ALA CA C 55.00 0.2 1 709 63 63 ALA CB C 17.40 0.2 1 710 63 63 ALA N N 124.50 0.2 1 711 64 64 GLU H H 8.21 0.02 1 712 64 64 GLU HA H 3.69 0.02 1 713 64 64 GLU HB2 H 2.08 0.02 2 714 64 64 GLU HB3 H 2.02 0.02 2 715 64 64 GLU HG2 H 2.31 0.02 2 716 64 64 GLU HG3 H 2.17 0.02 2 717 64 64 GLU CA C 60.00 0.2 1 718 64 64 GLU CB C 29.30 0.2 1 719 64 64 GLU CG C 36.00 0.2 1 720 64 64 GLU N N 118.40 0.2 1 721 65 65 THR H H 7.92 0.02 1 722 65 65 THR HA H 3.95 0.02 1 723 65 65 THR HB H 4.33 0.02 1 724 65 65 THR HG2 H 1.22 0.02 1 725 65 65 THR C C 177.50 0.2 1 726 65 65 THR CA C 66.60 0.2 1 727 65 65 THR CB C 68.80 0.2 1 728 65 65 THR CG2 C 21.70 0.2 1 729 65 65 THR N N 114.40 0.2 1 730 66 66 SER H H 7.76 0.02 1 731 66 66 SER HA H 4.07 0.02 1 732 66 66 SER HB2 H 4.13 0.02 1 733 66 66 SER HB3 H 4.13 0.02 1 734 66 66 SER C C 174.90 0.2 1 735 66 66 SER CA C 62.00 0.2 1 736 66 66 SER CB C 62.40 0.2 1 737 66 66 SER N N 119.40 0.2 1 738 67 67 ILE H H 8.56 0.02 1 739 67 67 ILE HA H 3.27 0.02 1 740 67 67 ILE HB H 1.52 0.02 1 741 67 67 ILE HG12 H 1.41 0.02 2 742 67 67 ILE HG13 H 0.81 0.02 2 743 67 67 ILE HG2 H 0.36 0.02 1 744 67 67 ILE HD1 H -0.03 0.02 1 745 67 67 ILE CA C 65.90 0.2 1 746 67 67 ILE CB C 37.70 0.2 1 747 67 67 ILE CG1 C 30.10 0.2 1 748 67 67 ILE CG2 C 17.80 0.2 1 749 67 67 ILE CD1 C 12.50 0.2 1 750 67 67 ILE N N 123.10 0.2 1 751 68 68 ASP H H 8.58 0.02 1 752 68 68 ASP HA H 3.96 0.02 1 753 68 68 ASP HB2 H 2.66 0.02 2 754 68 68 ASP HB3 H 2.34 0.02 2 755 68 68 ASP C C 178.30 0.2 1 756 68 68 ASP CA C 57.40 0.2 1 757 68 68 ASP CB C 39.50 0.2 1 758 68 68 ASP N N 119.50 0.2 1 759 69 69 TYR H H 7.41 0.02 1 760 69 69 TYR HA H 3.79 0.02 1 761 69 69 TYR HB2 H 3.30 0.02 2 762 69 69 TYR HB3 H 3.12 0.02 2 763 69 69 TYR HD1 H 6.90 0.02 1 764 69 69 TYR HD2 H 6.90 0.02 1 765 69 69 TYR HE1 H 6.77 0.02 1 766 69 69 TYR HE2 H 6.77 0.02 1 767 69 69 TYR C C 178.10 0.2 1 768 69 69 TYR CA C 62.80 0.2 1 769 69 69 TYR CB C 38.20 0.2 1 770 69 69 TYR CD1 C 132.80 0.2 1 771 69 69 TYR CD2 C 132.80 0.2 1 772 69 69 TYR CE1 C 118.40 0.2 1 773 69 69 TYR CE2 C 118.40 0.2 1 774 69 69 TYR N N 117.90 0.2 1 775 70 70 LEU H H 8.22 0.02 1 776 70 70 LEU HA H 3.84 0.02 1 777 70 70 LEU HB2 H 2.20 0.02 2 778 70 70 LEU HB3 H 1.41 0.02 2 779 70 70 LEU HG H 2.27 0.02 1 780 70 70 LEU HD1 H 1.03 0.02 2 781 70 70 LEU HD2 H 0.95 0.02 2 782 70 70 LEU C C 178.10 0.2 1 783 70 70 LEU CA C 58.00 0.2 1 784 70 70 LEU CB C 42.90 0.2 1 785 70 70 LEU CG C 26.70 0.2 1 786 70 70 LEU CD1 C 23.50 0.2 2 787 70 70 LEU CD2 C 26.10 0.2 2 788 70 70 LEU N N 120.60 0.2 1 789 71 71 ILE H H 8.29 0.02 1 790 71 71 ILE HA H 2.90 0.02 1 791 71 71 ILE HB H 1.12 0.02 1 792 71 71 ILE HG12 H 0.45 0.02 2 793 71 71 ILE HG13 H -1.20 0.02 2 794 71 71 ILE HG2 H 0.40 0.02 1 795 71 71 ILE HD1 H -0.04 0.02 1 796 71 71 ILE C C 176.10 0.2 1 797 71 71 ILE CA C 65.80 0.2 1 798 71 71 ILE CB C 37.90 0.2 1 799 71 71 ILE CG1 C 27.90 0.2 1 800 71 71 ILE CG2 C 17.90 0.2 1 801 71 71 ILE CD1 C 14.60 0.2 1 802 71 71 ILE N N 117.70 0.2 1 803 72 72 LYS H H 7.35 0.02 1 804 72 72 LYS HA H 3.79 0.02 1 805 72 72 LYS HB2 H 1.58 0.02 1 806 72 72 LYS HB3 H 1.58 0.02 1 807 72 72 LYS HG2 H 1.33 0.02 2 808 72 72 LYS HG3 H 1.17 0.02 2 809 72 72 LYS HD2 H 1.54 0.02 1 810 72 72 LYS HD3 H 1.54 0.02 1 811 72 72 LYS HE2 H 2.91 0.02 1 812 72 72 LYS HE3 H 2.91 0.02 1 813 72 72 LYS C C 178.20 0.2 1 814 72 72 LYS CA C 59.00 0.2 1 815 72 72 LYS CB C 34.10 0.2 1 816 72 72 LYS CG C 25.00 0.2 1 817 72 72 LYS CD C 29.20 0.2 1 818 72 72 LYS CE C 42.10 0.2 1 819 72 72 LYS N N 113.30 0.2 1 820 73 73 ASN H H 8.04 0.02 1 821 73 73 ASN HA H 4.72 0.02 1 822 73 73 ASN HB2 H 2.53 0.02 2 823 73 73 ASN HB3 H 2.48 0.02 2 824 73 73 ASN HD21 H 7.52 0.02 2 825 73 73 ASN HD22 H 6.79 0.02 2 826 73 73 ASN C C 174.60 0.2 1 827 73 73 ASN CA C 54.50 0.2 1 828 73 73 ASN CB C 41.80 0.2 1 829 73 73 ASN N N 111.70 0.2 1 830 73 73 ASN ND2 N 112.80 0.2 1 831 74 74 GLU H H 8.51 0.02 1 832 74 74 GLU HA H 5.03 0.02 1 833 74 74 GLU HB2 H 1.94 0.02 2 834 74 74 GLU HG2 H 2.26 0.02 2 835 74 74 GLU C C 176.10 0.2 1 836 74 74 GLU CA C 52.70 0.2 1 837 74 74 GLU CB C 30.10 0.2 1 838 74 74 GLU CG C 37.10 0.2 1 839 74 74 GLU N N 122.50 0.2 1 840 75 75 LEU H H 8.16 0.02 1 841 75 75 LEU HA H 4.16 0.02 1 842 75 75 LEU HB2 H 1.75 0.02 2 843 75 75 LEU HB3 H 1.72 0.02 2 844 75 75 LEU HG H 1.71 0.02 1 845 75 75 LEU HD1 H 1.21 0.02 2 846 75 75 LEU HD2 H 1.04 0.02 2 847 75 75 LEU C C 178.80 0.2 1 848 75 75 LEU CA C 58.70 0.2 1 849 75 75 LEU CB C 41.60 0.2 1 850 75 75 LEU CG C 27.40 0.2 1 851 75 75 LEU CD1 C 23.60 0.2 2 852 75 75 LEU CD2 C 25.90 0.2 2 853 75 75 LEU N N 122.60 0.2 1 854 76 76 GLU H H 8.50 0.02 1 855 76 76 GLU HA H 4.05 0.02 1 856 76 76 GLU HB2 H 2.08 0.02 2 857 76 76 GLU HB3 H 2.01 0.02 2 858 76 76 GLU HG2 H 2.37 0.02 2 859 76 76 GLU HG3 H 2.21 0.02 2 860 76 76 GLU C C 180.10 0.2 1 861 76 76 GLU CA C 60.10 0.2 1 862 76 76 GLU CB C 28.50 0.2 1 863 76 76 GLU CG C 36.50 0.2 1 864 76 76 GLU N N 115.20 0.2 1 865 77 77 ILE H H 7.85 0.02 1 866 77 77 ILE HA H 3.91 0.02 1 867 77 77 ILE HB H 2.25 0.02 1 868 77 77 ILE HG12 H 1.85 0.02 2 869 77 77 ILE HG13 H 1.24 0.02 2 870 77 77 ILE HG2 H 1.04 0.02 1 871 77 77 ILE HD1 H 0.91 0.02 1 872 77 77 ILE C C 178.10 0.2 1 873 77 77 ILE CA C 65.30 0.2 1 874 77 77 ILE CB C 37.50 0.2 1 875 77 77 ILE CG1 C 29.70 0.2 1 876 77 77 ILE CG2 C 17.40 0.2 1 877 77 77 ILE CD1 C 12.60 0.2 1 878 77 77 ILE N N 122.60 0.2 1 879 78 78 TRP H H 8.94 0.02 1 880 78 78 TRP HA H 4.54 0.02 1 881 78 78 TRP HB2 H 3.85 0.02 2 882 78 78 TRP HB3 H 3.03 0.02 2 883 78 78 TRP HD1 H 7.13 0.02 1 884 78 78 TRP HE1 H 9.66 0.02 1 885 78 78 TRP HZ2 H 7.33 0.02 1 886 78 78 TRP HZ3 H 7.00 0.02 1 887 78 78 TRP HH2 H 7.13 0.02 1 888 78 78 TRP C C 178.10 0.2 1 889 78 78 TRP CA C 60.30 0.2 1 890 78 78 TRP CB C 29.20 0.2 1 891 78 78 TRP CD1 C 128.10 0.2 1 892 78 78 TRP CZ2 C 114.50 0.2 1 893 78 78 TRP CZ3 C 121.20 0.2 1 894 78 78 TRP CH2 C 124.30 0.2 1 895 78 78 TRP N N 122.00 0.2 1 896 78 78 TRP NE1 N 127.50 0.2 1 897 79 79 LYS H H 8.60 0.02 1 898 79 79 LYS HA H 3.87 0.02 1 899 79 79 LYS HB2 H 1.87 0.02 2 900 79 79 LYS HB3 H 1.85 0.02 2 901 79 79 LYS HG2 H 1.41 0.02 2 902 79 79 LYS HG3 H 1.43 0.02 2 903 79 79 LYS HD2 H 1.68 0.02 1 904 79 79 LYS HD3 H 1.68 0.02 1 905 79 79 LYS HE2 H 2.97 0.02 1 906 79 79 LYS HE3 H 2.97 0.02 1 907 79 79 LYS C C 178.90 0.2 1 908 79 79 LYS CA C 60.20 0.2 1 909 79 79 LYS CB C 32.30 0.2 1 910 79 79 LYS CG C 24.00 0.2 1 911 79 79 LYS CD C 29.10 0.2 1 912 79 79 LYS CE C 42.40 0.2 1 913 79 79 LYS N N 117.70 0.2 1 914 80 80 GLU H H 7.64 0.02 1 915 80 80 GLU HA H 4.01 0.02 1 916 80 80 GLU HB2 H 2.16 0.02 2 917 80 80 GLU HB3 H 2.02 0.02 2 918 80 80 GLU HG2 H 2.38 0.02 2 919 80 80 GLU HG3 H 2.17 0.02 2 920 80 80 GLU C C 179.70 0.2 1 921 80 80 GLU CA C 59.40 0.2 1 922 80 80 GLU CB C 29.70 0.2 1 923 80 80 GLU CG C 36.10 0.2 1 924 80 80 GLU N N 119.70 0.2 1 925 81 81 LEU H H 8.97 0.02 1 926 81 81 LEU HA H 3.88 0.02 1 927 81 81 LEU HB2 H 2.01 0.02 2 928 81 81 LEU HB3 H 1.31 0.02 2 929 81 81 LEU HG H 2.01 0.02 1 930 81 81 LEU HD1 H 0.97 0.02 2 931 81 81 LEU HD2 H 0.93 0.02 2 932 81 81 LEU C C 179.50 0.2 1 933 81 81 LEU CA C 58.00 0.2 1 934 81 81 LEU CB C 43.10 0.2 1 935 81 81 LEU CG C 26.40 0.2 1 936 81 81 LEU CD1 C 28.30 0.2 2 937 81 81 LEU CD2 C 24.80 0.2 2 938 81 81 LEU N N 119.30 0.2 1 939 82 82 THR H H 8.16 0.02 1 940 82 82 THR HA H 3.73 0.02 1 941 82 82 THR HB H 3.53 0.02 1 942 82 82 THR HG2 H 0.22 0.02 1 943 82 82 THR C C 176.30 0.2 1 944 82 82 THR CA C 65.50 0.2 1 945 82 82 THR CB C 68.00 0.2 1 946 82 82 THR CG2 C 20.80 0.2 1 947 82 82 THR N N 111.00 0.2 1 948 83 83 ALA H H 7.40 0.02 1 949 83 83 ALA HA H 3.96 0.02 1 950 83 83 ALA HB H 1.40 0.02 1 951 83 83 ALA C C 178.70 0.2 1 952 83 83 ALA CA C 55.00 0.2 1 953 83 83 ALA CB C 18.00 0.2 1 954 83 83 ALA N N 123.20 0.2 1 955 84 84 HIS H H 7.25 0.02 1 956 84 84 HIS HA H 4.27 0.02 1 957 84 84 HIS HB2 H 2.96 0.02 2 958 84 84 HIS HB3 H 2.69 0.02 2 959 84 84 HIS C C 176.00 0.2 1 960 84 84 HIS CA C 58.50 0.2 1 961 84 84 HIS CB C 30.00 0.2 1 962 84 84 HIS N N 112.40 0.2 1 963 85 85 PHE H H 8.20 0.02 1 964 85 85 PHE HA H 4.49 0.02 1 965 85 85 PHE HB2 H 3.08 0.02 2 966 85 85 PHE HB3 H 2.58 0.02 2 967 85 85 PHE HD1 H 7.28 0.02 3 968 85 85 PHE HD2 H 7.27 0.02 3 969 85 85 PHE HE1 H 7.32 0.02 1 970 85 85 PHE HE2 H 7.32 0.02 1 971 85 85 PHE HZ H 7.37 0.02 1 972 85 85 PHE C C 174.70 0.2 1 973 85 85 PHE CA C 59.90 0.2 1 974 85 85 PHE CB C 41.30 0.2 1 975 85 85 PHE CD1 C 131.70 0.2 1 976 85 85 PHE CD2 C 131.70 0.2 1 977 85 85 PHE CE1 C 130.00 0.2 1 978 85 85 PHE CE2 C 130.00 0.2 1 979 85 85 PHE CZ C 131.70 0.2 1 980 85 85 PHE N N 113.00 0.2 1 981 86 86 ASP H H 8.35 0.02 1 982 86 86 ASP HA H 5.39 0.02 1 983 86 86 ASP HB2 H 2.98 0.02 2 984 86 86 ASP HB3 H 2.91 0.02 2 985 86 86 ASP CA C 52.10 0.2 1 986 86 86 ASP CB C 42.50 0.2 1 987 86 86 ASP N N 117.90 0.2 1 988 87 87 PRO HA H 4.28 0.02 1 989 87 87 PRO HB2 H 2.38 0.02 2 990 87 87 PRO HB3 H 1.94 0.02 2 991 87 87 PRO HG2 H 2.01 0.02 2 992 87 87 PRO HG3 H 1.97 0.02 2 993 87 87 PRO HD2 H 3.23 0.02 2 994 87 87 PRO HD3 H 3.25 0.02 2 995 87 87 PRO C C 178.40 0.2 1 996 87 87 PRO CA C 65.30 0.2 1 997 87 87 PRO CB C 31.50 0.2 1 998 87 87 PRO CG C 27.80 0.2 1 999 87 87 PRO CD C 50.50 0.2 1 1000 88 88 ASP H H 8.73 0.02 1 1001 88 88 ASP HA H 4.65 0.02 1 1002 88 88 ASP HB2 H 2.67 0.02 1 1003 88 88 ASP HB3 H 2.67 0.02 1 1004 88 88 ASP C C 177.50 0.2 1 1005 88 88 ASP CA C 54.60 0.2 1 1006 88 88 ASP CB C 40.90 0.2 1 1007 88 88 ASP N N 116.00 0.2 1 1008 89 89 GLY H H 8.23 0.02 1 1009 89 89 GLY HA2 H 3.83 0.02 2 1010 89 89 GLY HA3 H 3.81 0.02 2 1011 89 89 GLY C C 175.90 0.2 1 1012 89 89 GLY CA C 47.40 0.2 1 1013 89 89 GLY N N 111.00 0.2 1 1014 90 90 LYS H H 9.23 0.02 1 1015 90 90 LYS HA H 3.68 0.02 1 1016 90 90 LYS HB2 H 0.98 0.02 1 1017 90 90 LYS HB3 H 0.98 0.02 1 1018 90 90 LYS HG2 H 0.78 0.02 2 1019 90 90 LYS HG3 H 0.54 0.02 2 1020 90 90 LYS HD2 H 1.34 0.02 2 1021 90 90 LYS HD3 H 1.29 0.02 2 1022 90 90 LYS HE2 H 2.66 0.02 1 1023 90 90 LYS HE3 H 2.66 0.02 1 1024 90 90 LYS C C 178.40 0.2 1 1025 90 90 LYS CA C 59.20 0.2 1 1026 90 90 LYS CB C 32.60 0.2 1 1027 90 90 LYS CG C 24.50 0.2 1 1028 90 90 LYS CD C 29.10 0.2 1 1029 90 90 LYS CE C 41.90 0.2 1 1030 90 90 LYS N N 124.00 0.2 1 1031 91 91 TRP H H 9.73 0.02 1 1032 91 91 TRP HA H 4.88 0.02 1 1033 91 91 TRP HB2 H 3.27 0.02 2 1034 91 91 TRP HB3 H 3.23 0.02 2 1035 91 91 TRP C C 177.60 0.2 1 1036 91 91 TRP CA C 57.00 0.2 1 1037 91 91 TRP CB C 29.80 0.2 1 1038 91 91 TRP N N 121.30 0.2 1 1039 92 92 ARG H H 8.53 0.02 1 1040 92 92 ARG HA H 4.23 0.02 1 1041 92 92 ARG HB2 H 1.93 0.02 2 1042 92 92 ARG HG2 H 1.65 0.02 2 1043 92 92 ARG HG3 H 1.60 0.02 2 1044 92 92 ARG HD2 H 3.09 0.02 1 1045 92 92 ARG HD3 H 3.09 0.02 1 1046 92 92 ARG HE H 7.93 0.02 1 1047 92 92 ARG C C 177.80 0.2 1 1048 92 92 ARG CA C 60.70 0.2 1 1049 92 92 ARG CB C 30.50 0.2 1 1050 92 92 ARG CG C 26.50 0.2 1 1051 92 92 ARG CD C 43.80 0.2 1 1052 92 92 ARG N N 121.60 0.2 1 1053 92 92 ARG NE N 84.30 0.2 1 1054 93 93 LYS H H 7.89 0.02 1 1055 93 93 LYS HA H 4.14 0.02 1 1056 93 93 LYS HB2 H 1.81 0.02 1 1057 93 93 LYS HB3 H 1.81 0.02 1 1058 93 93 LYS HG2 H 1.46 0.02 2 1059 93 93 LYS HG3 H 1.41 0.02 2 1060 93 93 LYS HD2 H 1.66 0.02 1 1061 93 93 LYS HD3 H 1.66 0.02 1 1062 93 93 LYS HE2 H 3.00 0.02 1 1063 93 93 LYS HE3 H 3.00 0.02 1 1064 93 93 LYS C C 177.90 0.2 1 1065 93 93 LYS CA C 59.30 0.2 1 1066 93 93 LYS CB C 31.90 0.2 1 1067 93 93 LYS CG C 24.70 0.2 1 1068 93 93 LYS CD C 29.10 0.2 1 1069 93 93 LYS CE C 42.10 0.2 1 1070 93 93 LYS N N 116.90 0.2 1 1071 94 94 LYS H H 7.40 0.02 1 1072 94 94 LYS HA H 4.08 0.02 1 1073 94 94 LYS HB2 H 1.96 0.02 2 1074 94 94 LYS HB3 H 1.91 0.02 2 1075 94 94 LYS HG2 H 1.38 0.02 1 1076 94 94 LYS HG3 H 1.38 0.02 1 1077 94 94 LYS HD2 H 1.64 0.02 2 1078 94 94 LYS HD3 H 1.42 0.02 2 1079 94 94 LYS HE2 H 2.76 0.02 1 1080 94 94 LYS HE3 H 2.76 0.02 1 1081 94 94 LYS C C 180.20 0.2 1 1082 94 94 LYS CA C 59.50 0.2 1 1083 94 94 LYS CB C 32.10 0.2 1 1084 94 94 LYS CG C 25.20 0.2 1 1085 94 94 LYS CD C 30.10 0.2 1 1086 94 94 LYS CE C 42.20 0.2 1 1087 94 94 LYS N N 118.90 0.2 1 1088 95 95 TYR H H 8.13 0.02 1 1089 95 95 TYR HA H 4.41 0.02 1 1090 95 95 TYR HB2 H 3.15 0.02 2 1091 95 95 TYR HB3 H 3.17 0.02 2 1092 95 95 TYR HD1 H 7.24 0.02 1 1093 95 95 TYR HD2 H 7.24 0.02 1 1094 95 95 TYR HE1 H 6.79 0.02 1 1095 95 95 TYR HE2 H 6.79 0.02 1 1096 95 95 TYR C C 179.50 0.2 1 1097 95 95 TYR CA C 61.00 0.2 1 1098 95 95 TYR CB C 38.20 0.2 1 1099 95 95 TYR CD1 C 132.60 0.2 1 1100 95 95 TYR CD2 C 132.60 0.2 1 1101 95 95 TYR CE1 C 117.70 0.2 1 1102 95 95 TYR CE2 C 117.70 0.2 1 1103 95 95 TYR N N 117.30 0.2 1 1104 96 96 GLU H H 9.14 0.02 1 1105 96 96 GLU HA H 4.11 0.02 1 1106 96 96 GLU HB2 H 2.01 0.02 1 1107 96 96 GLU HB3 H 2.01 0.02 1 1108 96 96 GLU HG2 H 2.21 0.02 1 1109 96 96 GLU HG3 H 2.21 0.02 1 1110 96 96 GLU C C 178.80 0.2 1 1111 96 96 GLU CA C 60.50 0.2 1 1112 96 96 GLU CB C 29.00 0.2 1 1113 96 96 GLU CG C 36.70 0.2 1 1114 96 96 GLU N N 121.90 0.2 1 1115 97 97 ASP H H 9.11 0.02 1 1116 97 97 ASP HA H 4.42 0.02 1 1117 97 97 ASP HB2 H 2.89 0.02 2 1118 97 97 ASP HB3 H 2.57 0.02 2 1119 97 97 ASP C C 179.90 0.2 1 1120 97 97 ASP CA C 57.70 0.2 1 1121 97 97 ASP CB C 39.50 0.2 1 1122 97 97 ASP N N 120.60 0.2 1 1123 98 98 ARG H H 7.64 0.02 1 1124 98 98 ARG HA H 4.11 0.02 1 1125 98 98 ARG HB2 H 2.08 0.02 2 1126 98 98 ARG HB3 H 1.96 0.02 2 1127 98 98 ARG HG2 H 1.88 0.02 2 1128 98 98 ARG HG3 H 1.61 0.02 2 1129 98 98 ARG HD2 H 3.17 0.02 1 1130 98 98 ARG HD3 H 3.17 0.02 1 1131 98 98 ARG HE H 7.86 0.02 1 1132 98 98 ARG C C 178.50 0.2 1 1133 98 98 ARG CA C 59.20 0.2 1 1134 98 98 ARG CB C 30.50 0.2 1 1135 98 98 ARG CG C 26.80 0.2 1 1136 98 98 ARG CD C 43.80 0.2 1 1137 98 98 ARG N N 120.80 0.2 1 1138 98 98 ARG NE N 84.90 0.2 1 1139 99 99 ALA H H 7.89 0.02 1 1140 99 99 ALA HA H 4.00 0.02 1 1141 99 99 ALA HB H 1.39 0.02 1 1142 99 99 ALA C C 180.20 0.2 1 1143 99 99 ALA CA C 55.30 0.2 1 1144 99 99 ALA CB C 17.80 0.2 1 1145 99 99 ALA N N 123.30 0.2 1 1146 100 100 LYS H H 8.62 0.02 1 1147 100 100 LYS HA H 4.44 0.02 1 1148 100 100 LYS HB2 H 1.93 0.02 2 1149 100 100 LYS HB3 H 1.88 0.02 2 1150 100 100 LYS HG2 H 1.57 0.02 2 1151 100 100 LYS HD2 H 1.65 0.02 2 1152 100 100 LYS HD3 H 1.68 0.02 2 1153 100 100 LYS HE2 H 2.96 0.02 1 1154 100 100 LYS HE3 H 2.96 0.02 1 1155 100 100 LYS C C 181.10 0.2 1 1156 100 100 LYS CA C 59.20 0.2 1 1157 100 100 LYS CB C 32.20 0.2 1 1158 100 100 LYS CG C 25.10 0.2 1 1159 100 100 LYS CD C 29.30 0.2 1 1160 100 100 LYS CE C 42.30 0.2 1 1161 100 100 LYS N N 120.10 0.2 1 1162 101 101 ALA H H 7.79 0.02 1 1163 101 101 ALA HA H 4.19 0.02 1 1164 101 101 ALA HB H 1.51 0.02 1 1165 101 101 ALA C C 178.80 0.2 1 1166 101 101 ALA CA C 54.20 0.2 1 1167 101 101 ALA CB C 17.80 0.2 1 1168 101 101 ALA N N 122.00 0.2 1 1169 102 102 LYS H H 7.46 0.02 1 1170 102 102 LYS HA H 4.44 0.02 1 1171 102 102 LYS HB2 H 1.99 0.02 2 1172 102 102 LYS HB3 H 1.88 0.02 2 1173 102 102 LYS HG2 H 1.61 0.02 2 1174 102 102 LYS HG3 H 1.49 0.02 2 1175 102 102 LYS HD2 H 1.53 0.02 1 1176 102 102 LYS HD3 H 1.53 0.02 1 1177 102 102 LYS HE2 H 2.87 0.02 1 1178 102 102 LYS HE3 H 2.87 0.02 1 1179 102 102 LYS C C 176.80 0.2 1 1180 102 102 LYS CA C 55.90 0.2 1 1181 102 102 LYS CB C 32.50 0.2 1 1182 102 102 LYS CG C 24.80 0.2 1 1183 102 102 LYS CD C 29.20 0.2 1 1184 102 102 LYS CE C 42.00 0.2 1 1185 102 102 LYS N N 116.00 0.2 1 1186 103 103 GLY H H 7.93 0.02 1 1187 103 103 GLY HA2 H 3.67 0.02 2 1188 103 103 GLY HA3 H 4.21 0.02 2 1189 103 103 GLY C C 174.10 0.2 1 1190 103 103 GLY CA C 45.00 0.2 1 1191 103 103 GLY N N 107.50 0.2 1 1192 104 104 ILE H H 7.50 0.02 1 1193 104 104 ILE HA H 3.86 0.02 1 1194 104 104 ILE HB H 1.43 0.02 1 1195 104 104 ILE HG12 H 1.45 0.02 2 1196 104 104 ILE HG13 H 0.80 0.02 2 1197 104 104 ILE HG2 H 0.60 0.02 1 1198 104 104 ILE HD1 H 0.79 0.02 1 1199 104 104 ILE C C 174.90 0.2 1 1200 104 104 ILE CA C 61.80 0.2 1 1201 104 104 ILE CB C 37.30 0.2 1 1202 104 104 ILE CG1 C 28.60 0.2 1 1203 104 104 ILE CG2 C 16.90 0.2 1 1204 104 104 ILE CD1 C 13.00 0.2 1 1205 104 104 ILE N N 122.60 0.2 1 1206 105 105 VAL H H 8.35 0.02 1 1207 105 105 VAL HA H 3.97 0.02 1 1208 105 105 VAL HB H 1.89 0.02 1 1209 105 105 VAL HG1 H 0.89 0.02 2 1210 105 105 VAL HG2 H 0.79 0.02 2 1211 105 105 VAL C C 175.70 0.2 1 1212 105 105 VAL CA C 62.00 0.2 1 1213 105 105 VAL CB C 32.70 0.2 1 1214 105 105 VAL CG1 C 21.10 0.2 2 1215 105 105 VAL CG2 C 21.00 0.2 2 1216 105 105 VAL N N 127.90 0.2 1 1217 106 106 ILE H H 8.51 0.02 1 1218 106 106 ILE HA H 4.48 0.02 1 1219 106 106 ILE HB H 1.76 0.02 1 1220 106 106 ILE HG12 H 1.44 0.02 2 1221 106 106 ILE HG13 H 0.80 0.02 2 1222 106 106 ILE HG2 H 0.88 0.02 1 1223 106 106 ILE HD1 H 0.81 0.02 1 1224 106 106 ILE CA C 58.50 0.2 1 1225 106 106 ILE CB C 38.90 0.2 1 1226 106 106 ILE CG1 C 26.70 0.2 1 1227 106 106 ILE CG2 C 17.10 0.2 1 1228 106 106 ILE CD1 C 14.00 0.2 1 1229 106 106 ILE N N 128.10 0.2 1 1230 107 107 PRO HA H 4.40 0.02 1 1231 107 107 PRO HB2 H 2.25 0.02 2 1232 107 107 PRO HB3 H 1.90 0.02 2 1233 107 107 PRO HG2 H 2.00 0.02 2 1234 107 107 PRO HG3 H 1.96 0.02 2 1235 107 107 PRO HD2 H 3.73 0.02 1 1236 107 107 PRO HD3 H 3.73 0.02 1 1237 107 107 PRO C C 175.70 0.2 1 1238 107 107 PRO CA C 63.30 0.2 1 1239 107 107 PRO CB C 32.00 0.2 1 1240 107 107 PRO CG C 27.30 0.2 1 1241 107 107 PRO CD C 50.80 0.2 1 1242 108 108 GLU H H 8.05 0.02 1 1243 108 108 GLU HA H 4.08 0.02 1 1244 108 108 GLU HB2 H 2.01 0.02 2 1245 108 108 GLU HB3 H 1.86 0.02 2 1246 108 108 GLU HG2 H 2.22 0.02 1 1247 108 108 GLU HG3 H 2.22 0.02 1 1248 108 108 GLU CA C 58.10 0.2 1 1249 108 108 GLU CB C 31.20 0.2 1 1250 108 108 GLU CG C 36.70 0.2 1 1251 108 108 GLU N N 126.70 0.2 1 stop_ save_