data_6517 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of P. aeruginosa protein PA4738: Northeast Structural Genomics Consortium target PaP2 ; _BMRB_accession_number 6517 _BMRB_flat_file_name bmr6517.str _Entry_type original _Submission_date 2005-02-19 _Accession_date 2005-02-21 _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 Cort John R. . 2 Kennedy Michael A. . 3 Ni Shuisong . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 382 "13C chemical shifts" 280 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-04-26 original author . stop_ _Original_release_date 2005-04-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of Pseudomonas aeruginosa protein PA4738' _Citation_status 'in preparation' _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cort John R. . 2 Kennedy Michael A. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PA4738 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PA4738 $PA4738 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details polypeptide save_ ######################## # Monomeric polymers # ######################## save_PA4738 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PA4738 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 65 _Mol_residue_sequence ; MNSDVIKGKWKQLTGKIKER WGDLTDDDLQAADGHAEYLV GKLQERYGWSKERAEQEVRD FSDRL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 SER 4 ASP 5 VAL 6 ILE 7 LYS 8 GLY 9 LYS 10 TRP 11 LYS 12 GLN 13 LEU 14 THR 15 GLY 16 LYS 17 ILE 18 LYS 19 GLU 20 ARG 21 TRP 22 GLY 23 ASP 24 LEU 25 THR 26 ASP 27 ASP 28 ASP 29 LEU 30 GLN 31 ALA 32 ALA 33 ASP 34 GLY 35 HIS 36 ALA 37 GLU 38 TYR 39 LEU 40 VAL 41 GLY 42 LYS 43 LEU 44 GLN 45 GLU 46 ARG 47 TYR 48 GLY 49 TRP 50 SER 51 LYS 52 GLU 53 ARG 54 ALA 55 GLU 56 GLN 57 GLU 58 VAL 59 ARG 60 ASP 61 PHE 62 SER 63 ASP 64 ARG 65 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1YWW "Nmr Structure Of P. Aeruginosa Protein Pa4738: Northeast Structural Genomics Consortium Target Pap2" 100.00 85 100.00 100.00 3.01e-38 DBJ BAK87684 "hypothetical protein NCGM2_0801 [Pseudomonas aeruginosa NCGM2.S1]" 100.00 65 100.00 100.00 9.42e-38 DBJ BAP24533 "hypothetical protein NCGM1900_5468 [Pseudomonas aeruginosa]" 100.00 65 100.00 100.00 9.42e-38 DBJ BAP53307 "hypothetical protein NCGM1984_5372 [Pseudomonas aeruginosa]" 100.00 65 100.00 100.00 9.42e-38 DBJ GAA20805 "conserved hypothetical protein [Pseudomonas aeruginosa NCMG1179]" 100.00 65 100.00 100.00 9.42e-38 EMBL CAW29877 "conserved hypothetical protein [Pseudomonas aeruginosa LESB58]" 100.00 65 100.00 100.00 9.42e-38 EMBL CCQ88990 "Protein yjbJ [Pseudomonas aeruginosa 18A]" 100.00 65 100.00 100.00 9.42e-38 EMBL CDH73490 "hypothetical protein P38_5303 [Pseudomonas aeruginosa MH38]" 100.00 65 100.00 100.00 9.42e-38 EMBL CDH79804 "hypothetical protein PAMH27_5450 [Pseudomonas aeruginosa MH27]" 100.00 65 100.00 100.00 9.42e-38 EMBL CDI93297 "CsbD family protein [Pseudomonas aeruginosa PA38182]" 100.00 65 100.00 100.00 9.42e-38 GB AAG08124 "conserved hypothetical protein [Pseudomonas aeruginosa PAO1]" 100.00 65 100.00 100.00 9.42e-38 GB AAT50542 "PA4738, partial [synthetic construct]" 100.00 66 100.00 100.00 1.12e-37 GB ABJ14121 "conserved hypothetical protein [Pseudomonas aeruginosa UCBPP-PA14]" 100.00 65 100.00 100.00 9.42e-38 GB ABR86199 "conserved hypothetical protein [Pseudomonas aeruginosa PA7]" 100.00 65 100.00 100.00 9.42e-38 GB AEO77326 "hypothetical protein PAM18_4846 [Pseudomonas aeruginosa M18]" 100.00 65 100.00 100.00 9.42e-38 REF NP_253426 "hypothetical protein PA4738 [Pseudomonas aeruginosa PAO1]" 100.00 65 100.00 100.00 9.42e-38 REF WP_003095174 "MULTISPECIES: hypothetical protein [Pseudomonas]" 100.00 65 100.00 100.00 9.42e-38 REF WP_003121075 "hypothetical protein, partial [Pseudomonas aeruginosa]" 89.23 58 100.00 100.00 2.41e-32 REF WP_031766196 "hypothetical protein, partial [Pseudomonas aeruginosa]" 98.46 64 100.00 100.00 4.59e-37 REF WP_031799240 "hypothetical protein, partial [Pseudomonas aeruginosa]" 61.54 40 100.00 100.00 1.69e-18 SP Q9HV61 "RecName: Full=UPF0337 protein PA4738 [Pseudomonas aeruginosa PAO1]" 100.00 65 100.00 100.00 9.42e-38 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $PA4738 'Pseudomonas aeruginosa' 287 Eubacteria 'Not applicable' Pseudomonas aeruginosa PA01 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $PA4738 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) . 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 $PA4738 1 mM '[U-13C; U-15N]' NaCl 1 M . 'Tris HCl' 20 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength '600 MHz' _Details . save_ save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength '800 MHz' _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label $sample_1 save_ save_1H13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H13C HSQC' _Sample_label $sample_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $sample_1 save_ save_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample_1 save_ save_CC-TOCSY-NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CC-TOCSY-NH _Sample_label $sample_1 save_ save_HCC-TOCSY-NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY-NH _Sample_label $sample_1 save_ save_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_1 save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.8 0.1 pH temperature 298 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 0.0 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 PA4738 _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 ASN HD21 H 7.02 0.02 2 2 . 2 ASN HD22 H 7.73 0.02 2 3 . 2 ASN CG C 177.1 0.2 1 4 . 2 ASN ND2 N 113.3 0.2 1 5 . 4 ASP HA H 4.87 0.02 1 6 . 4 ASP HB2 H 2.84 0.02 2 7 . 4 ASP HB3 H 3.00 0.02 2 8 . 4 ASP C C 177.3 0.2 1 9 . 4 ASP CA C 54.2 0.2 1 10 . 4 ASP CB C 41.3 0.2 1 11 . 5 VAL H H 8.45 0.02 1 12 . 5 VAL HA H 4.17 0.02 1 13 . 5 VAL HB H 2.28 0.02 1 14 . 5 VAL HG1 H 1.09 0.02 1 15 . 5 VAL HG2 H 1.11 0.02 1 16 . 5 VAL C C 176.3 0.2 1 17 . 5 VAL CA C 64.0 0.2 1 18 . 5 VAL CB C 32.0 0.2 1 19 . 5 VAL CG1 C 21.1 0.2 1 20 . 5 VAL CG2 C 21.3 0.2 1 21 . 5 VAL N N 124.2 0.2 1 22 . 6 ILE H H 8.12 0.02 1 23 . 6 ILE HA H 3.86 0.02 1 24 . 6 ILE HB H 2.42 0.02 1 25 . 6 ILE HG12 H 1.53 0.02 2 26 . 6 ILE HG13 H 1.74 0.02 2 27 . 6 ILE HG2 H 1.17 0.02 1 28 . 6 ILE HD1 H 1.13 0.02 1 29 . 6 ILE C C 176.7 0.2 1 30 . 6 ILE CA C 63.3 0.2 1 31 . 6 ILE CB C 36.8 0.2 1 32 . 6 ILE CG1 C 28.8 0.2 1 33 . 6 ILE CG2 C 18.1 0.2 1 34 . 6 ILE CD1 C 11.9 0.2 1 35 . 6 ILE N N 120.6 0.2 1 36 . 7 LYS H H 7.58 0.02 1 37 . 7 LYS HA H 4.55 0.02 1 38 . 7 LYS HB2 H 2.06 0.02 2 39 . 7 LYS HB3 H 2.10 0.02 2 40 . 7 LYS HG2 H 1.52 0.02 2 41 . 7 LYS HG3 H 1.67 0.02 2 42 . 7 LYS HD2 H 1.80 0.02 2 43 . 7 LYS HD3 H 1.82 0.02 2 44 . 7 LYS HE2 H 3.04 0.02 2 45 . 7 LYS HE3 H 3.06 0.02 2 46 . 7 LYS C C 179.9 0.2 1 47 . 7 LYS CA C 58.4 0.2 1 48 . 7 LYS CB C 33.3 0.2 1 49 . 7 LYS CG C 24.7 0.2 1 50 . 7 LYS CD C 29.8 0.2 1 51 . 7 LYS CE C 42.5 0.2 1 52 . 7 LYS N N 118.3 0.2 1 53 . 8 GLY H H 8.63 0.02 1 54 . 8 GLY HA2 H 4.03 0.02 2 55 . 8 GLY HA3 H 4.19 0.02 2 56 . 8 GLY C C 175.7 0.2 1 57 . 8 GLY CA C 46.8 0.2 1 58 . 8 GLY N N 107.0 0.2 1 59 . 9 LYS H H 8.19 0.02 1 60 . 9 LYS HA H 4.90 0.02 1 61 . 9 LYS HB2 H 1.84 0.02 2 62 . 9 LYS HB3 H 2.20 0.02 2 63 . 9 LYS HG2 H 1.45 0.02 2 64 . 9 LYS HG3 H 1.60 0.02 2 65 . 9 LYS HD2 H 1.67 0.02 2 66 . 9 LYS HD3 H 1.76 0.02 2 67 . 9 LYS HE2 H 3.04 0.02 2 68 . 9 LYS HE3 H 3.06 0.02 2 69 . 9 LYS C C 176.2 0.2 1 70 . 9 LYS CA C 55.3 0.2 1 71 . 9 LYS CB C 33.0 0.2 1 72 . 9 LYS CG C 25.3 0.2 1 73 . 9 LYS CD C 29.6 0.2 1 74 . 9 LYS CE C 42.3 0.2 1 75 . 9 LYS N N 118.2 0.2 1 76 . 10 TRP H H 7.47 0.02 1 77 . 10 TRP HA H 4.34 0.02 1 78 . 10 TRP HB2 H 3.28 0.02 2 79 . 10 TRP HB3 H 3.88 0.02 2 80 . 10 TRP HD1 H 7.27 0.02 1 81 . 10 TRP HE1 H 10.14 0.02 1 82 . 10 TRP HE3 H 7.60 0.02 1 83 . 10 TRP HZ2 H 7.67 0.02 1 84 . 10 TRP HZ3 H 6.86 0.02 1 85 . 10 TRP HH2 H 7.13 0.02 1 86 . 10 TRP C C 177.7 0.2 1 87 . 10 TRP CA C 61.8 0.2 1 88 . 10 TRP CB C 31.1 0.2 1 89 . 10 TRP CD1 C 127.6 0.2 1 90 . 10 TRP CE3 C 121.6 0.2 1 91 . 10 TRP CZ2 C 114.4 0.2 1 92 . 10 TRP CZ3 C 120.7 0.2 1 93 . 10 TRP CH2 C 123.1 0.2 1 94 . 10 TRP N N 121.9 0.2 1 95 . 10 TRP NE1 N 129.6 0.2 1 96 . 11 LYS H H 8.66 0.02 1 97 . 11 LYS HA H 4.07 0.02 1 98 . 11 LYS HB2 H 1.98 0.02 2 99 . 11 LYS HB3 H 2.04 0.02 2 100 . 11 LYS HG2 H 1.72 0.02 2 101 . 11 LYS HG3 H 1.84 0.02 2 102 . 11 LYS HD2 H 1.86 0.02 2 103 . 11 LYS HD3 H 1.93 0.02 2 104 . 11 LYS HE2 H 3.21 0.02 2 105 . 11 LYS HE3 H 3.23 0.02 2 106 . 11 LYS C C 178.9 0.2 1 107 . 11 LYS CA C 59.1 0.2 1 108 . 11 LYS CB C 32.1 0.2 1 109 . 11 LYS CG C 25.7 0.2 1 110 . 11 LYS CD C 29.3 0.2 1 111 . 11 LYS CE C 42.3 0.2 1 112 . 11 LYS N N 114.3 0.2 1 113 . 12 GLN H H 8.19 0.02 1 114 . 12 GLN HA H 4.46 0.02 1 115 . 12 GLN HB2 H 2.30 0.02 2 116 . 12 GLN HB3 H 2.34 0.02 2 117 . 12 GLN HG2 H 2.49 0.02 2 118 . 12 GLN HG3 H 2.62 0.02 2 119 . 12 GLN HE21 H 7.00 0.02 2 120 . 12 GLN HE22 H 7.69 0.02 2 121 . 12 GLN C C 177.9 0.2 1 122 . 12 GLN CA C 57.1 0.2 1 123 . 12 GLN CB C 29.1 0.2 1 124 . 12 GLN CG C 34.7 0.2 1 125 . 12 GLN CD C 180.5 0.2 1 126 . 12 GLN N N 116.1 0.2 1 127 . 12 GLN NE2 N 112.6 0.2 1 128 . 13 LEU H H 7.93 0.02 1 129 . 13 LEU HA H 4.55 0.02 1 130 . 13 LEU HB2 H 1.70 0.02 2 131 . 13 LEU HB3 H 1.84 0.02 2 132 . 13 LEU HG H 1.99 0.02 1 133 . 13 LEU HD1 H 1.04 0.02 1 134 . 13 LEU HD2 H 1.01 0.02 1 135 . 13 LEU C C 177.1 0.2 1 136 . 13 LEU CA C 55.0 0.2 1 137 . 13 LEU CB C 44.2 0.2 1 138 . 13 LEU CG C 26.4 0.2 1 139 . 13 LEU CD1 C 27.7 0.2 1 140 . 13 LEU CD2 C 23.8 0.2 1 141 . 13 LEU N N 118.9 0.2 1 142 . 14 THR H H 7.45 0.02 1 143 . 14 THR HA H 3.48 0.02 1 144 . 14 THR HB H 4.00 0.02 1 145 . 14 THR HG2 H 1.01 0.02 1 146 . 14 THR C C 175.8 0.2 1 147 . 14 THR CA C 67.1 0.2 1 148 . 14 THR CB C 68.8 0.2 1 149 . 14 THR CG2 C 22.3 0.2 1 150 . 14 THR N N 113.3 0.2 1 151 . 15 GLY H H 8.36 0.02 1 152 . 15 GLY HA2 H 3.81 0.02 2 153 . 15 GLY HA3 H 3.94 0.02 2 154 . 15 GLY C C 176.4 0.2 1 155 . 15 GLY CA C 47.2 0.2 1 156 . 15 GLY N N 108.4 0.2 1 157 . 16 LYS H H 7.90 0.02 1 158 . 16 LYS HA H 4.14 0.02 1 159 . 16 LYS HB2 H 2.05 0.02 2 160 . 16 LYS HB3 H 2.10 0.02 2 161 . 16 LYS HG2 H 1.61 0.02 2 162 . 16 LYS HG3 H 1.73 0.02 2 163 . 16 LYS HD2 H 1.68 0.02 2 164 . 16 LYS HD3 H 1.70 0.02 2 165 . 16 LYS HE2 H 3.02 0.02 2 166 . 16 LYS HE3 H 3.04 0.02 2 167 . 16 LYS C C 179.8 0.2 1 168 . 16 LYS CA C 59.0 0.2 1 169 . 16 LYS CB C 32.9 0.2 1 170 . 16 LYS CG C 25.7 0.2 1 171 . 16 LYS CD C 29.2 0.2 1 172 . 16 LYS CE C 42.2 0.2 1 173 . 16 LYS N N 123.4 0.2 1 174 . 17 ILE H H 8.67 0.02 1 175 . 17 ILE HA H 3.46 0.02 1 176 . 17 ILE HB H 1.81 0.02 1 177 . 17 ILE HG12 H 0.80 0.02 2 178 . 17 ILE HG13 H 1.95 0.02 2 179 . 17 ILE HG2 H 1.08 0.02 1 180 . 17 ILE HD1 H 0.55 0.02 1 181 . 17 ILE C C 176.9 0.2 1 182 . 17 ILE CA C 65.6 0.2 1 183 . 17 ILE CB C 38.3 0.2 1 184 . 17 ILE CG1 C 30.9 0.2 1 185 . 17 ILE CG2 C 19.5 0.2 1 186 . 17 ILE CD1 C 14.2 0.2 1 187 . 17 ILE N N 121.8 0.2 1 188 . 18 LYS H H 7.93 0.02 1 189 . 18 LYS HA H 4.01 0.02 1 190 . 18 LYS HB2 H 1.81 0.02 2 191 . 18 LYS HB3 H 1.97 0.02 2 192 . 18 LYS HG2 H 1.51 0.02 2 193 . 18 LYS HG3 H 1.53 0.02 2 194 . 18 LYS HD2 H 1.59 0.02 2 195 . 18 LYS HD3 H 1.77 0.02 2 196 . 18 LYS HE2 H 2.99 0.02 2 197 . 18 LYS HE3 H 3.04 0.02 2 198 . 18 LYS C C 178.0 0.2 1 199 . 18 LYS CA C 58.2 0.2 1 200 . 18 LYS CB C 32.4 0.2 1 201 . 18 LYS CG C 25.1 0.2 1 202 . 18 LYS CD C 29.0 0.2 1 203 . 18 LYS CE C 42.5 0.2 1 204 . 18 LYS N N 119.2 0.2 1 205 . 19 GLU H H 7.65 0.02 1 206 . 19 GLU HA H 3.93 0.02 1 207 . 19 GLU HB2 H 2.05 0.02 2 208 . 19 GLU HB3 H 2.10 0.02 2 209 . 19 GLU HG2 H 2.23 0.02 2 210 . 19 GLU HG3 H 2.39 0.02 2 211 . 19 GLU C C 177.7 0.2 1 212 . 19 GLU CA C 58.5 0.2 1 213 . 19 GLU CB C 30.1 0.2 1 214 . 19 GLU CG C 36.6 0.2 1 215 . 19 GLU N N 116.0 0.2 1 216 . 20 ARG H H 7.31 0.02 1 217 . 20 ARG HA H 3.94 0.02 1 218 . 20 ARG HB2 H 0.90 0.02 2 219 . 20 ARG HB3 H 1.29 0.02 2 220 . 20 ARG HG2 H 0.06 0.02 2 221 . 20 ARG HG3 H -0.40 0.02 2 222 . 20 ARG HD2 H 2.13 0.02 2 223 . 20 ARG HD3 H 2.88 0.02 2 224 . 20 ARG C C 176.5 0.2 1 225 . 20 ARG CA C 57.8 0.2 1 226 . 20 ARG CB C 29.9 0.2 1 227 . 20 ARG CG C 25.7 0.2 1 228 . 20 ARG CD C 42.6 0.2 1 229 . 20 ARG N N 119.0 0.2 1 230 . 21 TRP H H 8.25 0.02 1 231 . 21 TRP HA H 5.15 0.02 1 232 . 21 TRP HB2 H 3.16 0.02 2 233 . 21 TRP HB3 H 3.38 0.02 2 234 . 21 TRP HD1 H 7.09 0.02 1 235 . 21 TRP HE1 H 10.58 0.02 1 236 . 21 TRP HE3 H 7.70 0.02 1 237 . 21 TRP HZ2 H 7.34 0.02 1 238 . 21 TRP HZ3 H 6.10 0.02 1 239 . 21 TRP HH2 H 6.64 0.02 1 240 . 21 TRP C C 176.1 0.2 1 241 . 21 TRP CA C 56.8 0.2 1 242 . 21 TRP CB C 27.2 0.2 1 243 . 21 TRP CD1 C 126.3 0.2 1 244 . 21 TRP CE3 C 121.3 0.2 1 245 . 21 TRP CZ2 C 113.2 0.2 1 246 . 21 TRP CZ3 C 120.0 0.2 1 247 . 21 TRP CH2 C 124.0 0.2 1 248 . 21 TRP N N 120.4 0.2 1 249 . 21 TRP NE1 N 128.5 0.2 1 250 . 22 GLY H H 8.03 0.02 1 251 . 22 GLY HA2 H 3.91 0.02 2 252 . 22 GLY HA3 H 4.37 0.02 2 253 . 22 GLY C C 168.4 0.2 1 254 . 22 GLY CA C 47.6 0.2 1 255 . 22 GLY N N 107.2 0.2 1 256 . 23 ASP H H 7.98 0.02 1 257 . 23 ASP HA H 4.71 0.02 1 258 . 23 ASP HB2 H 1.80 0.02 2 259 . 23 ASP HB3 H 2.35 0.02 2 260 . 23 ASP C C 177.7 0.2 1 261 . 23 ASP CA C 54.3 0.2 1 262 . 23 ASP CB C 39.6 0.2 1 263 . 23 ASP N N 117.6 0.2 1 264 . 24 LEU H H 7.66 0.02 1 265 . 24 LEU HA H 4.48 0.02 1 266 . 24 LEU HB2 H 1.40 0.02 2 267 . 24 LEU HB3 H 2.12 0.02 2 268 . 24 LEU HG H 1.94 0.02 1 269 . 24 LEU HD1 H 1.00 0.02 1 270 . 24 LEU HD2 H 0.71 0.02 1 271 . 24 LEU C C 177.0 0.2 1 272 . 24 LEU CA C 55.7 0.2 1 273 . 24 LEU CB C 42.2 0.2 1 274 . 24 LEU CG C 27.6 0.2 1 275 . 24 LEU CD1 C 28.3 0.2 1 276 . 24 LEU CD2 C 23.3 0.2 1 277 . 24 LEU N N 119.2 0.2 1 278 . 25 THR H H 9.09 0.02 1 279 . 25 THR HA H 4.54 0.02 1 280 . 25 THR HB H 4.72 0.02 1 281 . 25 THR HG2 H 1.25 0.02 1 282 . 25 THR C C 175.7 0.2 1 283 . 25 THR CA C 60.1 0.2 1 284 . 25 THR CB C 71.7 0.2 1 285 . 25 THR CG2 C 21.4 0.2 1 286 . 25 THR N N 114.0 0.2 1 287 . 26 ASP H H 8.78 0.02 1 288 . 26 ASP HA H 4.45 0.02 1 289 . 26 ASP HB2 H 2.84 0.02 2 290 . 26 ASP HB3 H 2.92 0.02 2 291 . 26 ASP C C 179.3 0.2 1 292 . 26 ASP CA C 57.8 0.2 1 293 . 26 ASP CB C 39.8 0.2 1 294 . 26 ASP N N 119.8 0.2 1 295 . 27 ASP H H 8.19 0.02 1 296 . 27 ASP HA H 4.42 0.02 1 297 . 27 ASP HB2 H 2.60 0.02 2 298 . 27 ASP HB3 H 2.64 0.02 2 299 . 27 ASP C C 178.6 0.2 1 300 . 27 ASP CA C 57.5 0.2 1 301 . 27 ASP CB C 40.6 0.2 1 302 . 27 ASP N N 118.4 0.2 1 303 . 28 ASP H H 7.94 0.02 1 304 . 28 ASP HA H 4.38 0.02 1 305 . 28 ASP HB2 H 2.40 0.02 2 306 . 28 ASP HB3 H 3.40 0.02 2 307 . 28 ASP C C 179.1 0.2 1 308 . 28 ASP CA C 57.1 0.2 1 309 . 28 ASP CB C 41.2 0.2 1 310 . 28 ASP N N 119.8 0.2 1 311 . 29 LEU H H 7.64 0.02 1 312 . 29 LEU HA H 4.80 0.02 1 313 . 29 LEU HB2 H 1.69 0.02 2 314 . 29 LEU HB3 H 1.98 0.02 2 315 . 29 LEU HG H 1.97 0.02 1 316 . 29 LEU HD1 H 0.95 0.02 1 317 . 29 LEU HD2 H 0.96 0.02 1 318 . 29 LEU C C 177.2 0.2 1 319 . 29 LEU CA C 55.8 0.2 1 320 . 29 LEU CB C 42.1 0.2 1 321 . 29 LEU CG C 27.0 0.2 1 322 . 29 LEU CD1 C 26.5 0.2 1 323 . 29 LEU CD2 C 23.1 0.2 1 324 . 29 LEU N N 117.3 0.2 1 325 . 30 GLN H H 8.02 0.02 1 326 . 30 GLN HA H 4.44 0.02 1 327 . 30 GLN HB2 H 2.17 0.02 2 328 . 30 GLN HB3 H 2.31 0.02 2 329 . 30 GLN HG2 H 2.56 0.02 2 330 . 30 GLN HG3 H 2.59 0.02 2 331 . 30 GLN HE21 H 6.84 0.02 2 332 . 30 GLN HE22 H 7.53 0.02 2 333 . 30 GLN C C 176.0 0.2 1 334 . 30 GLN CA C 56.4 0.2 1 335 . 30 GLN CB C 28.4 0.2 1 336 . 30 GLN CG C 33.9 0.2 1 337 . 30 GLN CD C 180.5 0.2 1 338 . 30 GLN N N 118.3 0.2 1 339 . 30 GLN NE2 N 111.9 0.2 1 340 . 31 ALA H H 7.38 0.02 1 341 . 31 ALA HA H 4.25 0.02 1 342 . 31 ALA HB H 1.17 0.02 1 343 . 31 ALA CA C 52.4 0.2 1 344 . 31 ALA CB C 18.9 0.2 1 345 . 31 ALA N N 122.3 0.2 1 346 . 32 ALA HA H 4.18 0.02 1 347 . 32 ALA HB H 1.29 0.02 1 348 . 32 ALA C C 177.4 0.2 1 349 . 32 ALA CA C 53.2 0.2 1 350 . 32 ALA CB C 19.7 0.2 1 351 . 33 ASP H H 7.96 0.02 1 352 . 33 ASP HA H 4.49 0.02 1 353 . 33 ASP HB2 H 2.43 0.02 2 354 . 33 ASP HB3 H 2.54 0.02 2 355 . 33 ASP C C 174.9 0.2 1 356 . 33 ASP CA C 53.1 0.2 1 357 . 33 ASP CB C 40.8 0.2 1 358 . 33 ASP N N 117.3 0.2 1 359 . 34 GLY H H 5.89 0.02 1 360 . 34 GLY HA2 H 1.10 0.02 2 361 . 34 GLY HA3 H 2.50 0.02 2 362 . 34 GLY C C 171.0 0.2 1 363 . 34 GLY CA C 44.3 0.2 1 364 . 34 GLY N N 103.9 0.2 1 365 . 35 HIS H H 6.20 0.02 1 366 . 35 HIS HA H 4.45 0.02 1 367 . 35 HIS HB2 H 3.42 0.02 2 368 . 35 HIS HB3 H 3.53 0.02 2 369 . 35 HIS HD2 H 7.03 0.02 1 370 . 35 HIS HE1 H 7.83 0.02 1 371 . 35 HIS C C 175.4 0.2 1 372 . 35 HIS CA C 54.7 0.2 1 373 . 35 HIS CB C 31.3 0.2 1 374 . 35 HIS CD2 C 121.4 0.2 1 375 . 35 HIS CE1 C 139.9 0.2 1 376 . 35 HIS N N 111.1 0.2 1 377 . 36 ALA H H 10.31 0.02 1 378 . 36 ALA HA H 4.08 0.02 1 379 . 36 ALA HB H 1.68 0.02 1 380 . 36 ALA C C 178.7 0.2 1 381 . 36 ALA CA C 57.6 0.2 1 382 . 36 ALA CB C 18.3 0.2 1 383 . 36 ALA N N 125.3 0.2 1 384 . 37 GLU H H 8.88 0.02 1 385 . 37 GLU HA H 4.01 0.02 1 386 . 37 GLU HB2 H 2.20 0.02 2 387 . 37 GLU HB3 H 2.26 0.02 2 388 . 37 GLU HG2 H 2.43 0.02 2 389 . 37 GLU HG3 H 2.46 0.02 2 390 . 37 GLU C C 179.6 0.2 1 391 . 37 GLU CA C 60.4 0.2 1 392 . 37 GLU CB C 29.3 0.2 1 393 . 37 GLU CG C 37.1 0.2 1 394 . 37 GLU N N 117.0 0.2 1 395 . 38 TYR H H 7.88 0.02 1 396 . 38 TYR HA H 4.19 0.02 1 397 . 38 TYR HB2 H 2.58 0.02 2 398 . 38 TYR HB3 H 2.29 0.02 2 399 . 38 TYR HD1 H 6.84 0.02 3 400 . 38 TYR HE1 H 6.87 0.02 3 401 . 38 TYR C C 177.6 0.2 1 402 . 38 TYR CA C 60.1 0.2 1 403 . 38 TYR CB C 37.8 0.2 1 404 . 38 TYR CD1 C 133.0 0.2 3 405 . 38 TYR CE1 C 117.9 0.2 3 406 . 38 TYR N N 122.2 0.2 1 407 . 39 LEU H H 7.93 0.02 1 408 . 39 LEU HA H 3.80 0.02 1 409 . 39 LEU HB2 H 1.74 0.02 2 410 . 39 LEU HB3 H 2.05 0.02 2 411 . 39 LEU HG H 1.50 0.02 1 412 . 39 LEU HD1 H 0.94 0.02 1 413 . 39 LEU HD2 H 1.05 0.02 1 414 . 39 LEU C C 177.4 0.2 1 415 . 39 LEU CA C 57.8 0.2 1 416 . 39 LEU CB C 42.6 0.2 1 417 . 39 LEU CG C 27.0 0.2 1 418 . 39 LEU CD1 C 23.4 0.2 1 419 . 39 LEU CD2 C 25.8 0.2 1 420 . 39 LEU N N 121.1 0.2 1 421 . 40 VAL H H 8.63 0.02 1 422 . 40 VAL HA H 3.33 0.02 1 423 . 40 VAL HB H 2.30 0.02 1 424 . 40 VAL HG1 H 1.05 0.02 1 425 . 40 VAL HG2 H 1.10 0.02 1 426 . 40 VAL C C 178.5 0.2 1 427 . 40 VAL CA C 67.4 0.2 1 428 . 40 VAL CB C 32.3 0.2 1 429 . 40 VAL CG1 C 21.5 0.2 1 430 . 40 VAL CG2 C 24.5 0.2 1 431 . 40 VAL N N 119.5 0.2 1 432 . 41 GLY H H 7.76 0.02 1 433 . 41 GLY HA2 H 3.91 0.02 2 434 . 41 GLY HA3 H 3.97 0.02 2 435 . 41 GLY C C 177.3 0.2 1 436 . 41 GLY CA C 47.2 0.2 1 437 . 41 GLY N N 104.5 0.2 1 438 . 42 LYS H H 7.89 0.02 1 439 . 42 LYS HA H 4.10 0.02 1 440 . 42 LYS HB2 H 1.41 0.02 2 441 . 42 LYS HB3 H 1.71 0.02 2 442 . 42 LYS HG2 H 0.87 0.02 2 443 . 42 LYS HG3 H 0.98 0.02 2 444 . 42 LYS HD2 H 1.40 0.02 2 445 . 42 LYS HD3 H 1.67 0.02 2 446 . 42 LYS HE2 H 2.81 0.02 2 447 . 42 LYS HE3 H 3.03 0.02 2 448 . 42 LYS C C 178.7 0.2 1 449 . 42 LYS CA C 56.6 0.2 1 450 . 42 LYS CB C 31.3 0.2 1 451 . 42 LYS CG C 24.0 0.2 1 452 . 42 LYS CD C 27.3 0.2 1 453 . 42 LYS CE C 42.1 0.2 1 454 . 42 LYS N N 121.9 0.2 1 455 . 43 LEU H H 8.51 0.02 1 456 . 43 LEU HA H 3.91 0.02 1 457 . 43 LEU HB2 H 1.30 0.02 2 458 . 43 LEU HB3 H 1.95 0.02 2 459 . 43 LEU HG H 1.35 0.02 1 460 . 43 LEU HD1 H -0.05 0.02 1 461 . 43 LEU HD2 H -0.09 0.02 1 462 . 43 LEU C C 175.0 0.2 1 463 . 43 LEU CA C 58.1 0.2 1 464 . 43 LEU CB C 41.2 0.2 1 465 . 43 LEU CG C 26.1 0.2 1 466 . 43 LEU CD1 C 25.6 0.2 1 467 . 43 LEU CD2 C 21.7 0.2 1 468 . 43 LEU N N 120.8 0.2 1 469 . 44 GLN H H 7.98 0.02 1 470 . 44 GLN HA H 4.10 0.02 1 471 . 44 GLN HB2 H 2.21 0.02 2 472 . 44 GLN HB3 H 2.38 0.02 2 473 . 44 GLN HG2 H 2.35 0.02 2 474 . 44 GLN HG3 H 2.47 0.02 2 475 . 44 GLN HE21 H 6.95 0.02 2 476 . 44 GLN HE22 H 7.02 0.02 2 477 . 44 GLN C C 179.2 0.2 1 478 . 44 GLN CA C 60.7 0.2 1 479 . 44 GLN CB C 31.3 0.2 1 480 . 44 GLN CG C 35.6 0.2 1 481 . 44 GLN CD C 179.9 0.2 1 482 . 44 GLN N N 117.6 0.2 1 483 . 44 GLN NE2 N 109.4 0.2 1 484 . 45 GLU H H 7.81 0.02 1 485 . 45 GLU HA H 3.96 0.02 1 486 . 45 GLU HB2 H 2.07 0.02 2 487 . 45 GLU HB3 H 2.13 0.02 2 488 . 45 GLU HG2 H 2.06 0.02 2 489 . 45 GLU HG3 H 2.35 0.02 2 490 . 45 GLU C C 178.8 0.2 1 491 . 45 GLU CA C 59.3 0.2 1 492 . 45 GLU CB C 30.8 0.2 1 493 . 45 GLU CG C 35.8 0.2 1 494 . 45 GLU N N 119.1 0.2 1 495 . 46 ARG H H 8.63 0.02 1 496 . 46 ARG HA H 4.06 0.02 1 497 . 46 ARG HB2 H 1.30 0.02 2 498 . 46 ARG HB3 H 1.65 0.02 2 499 . 46 ARG HG2 H 1.55 0.02 2 500 . 46 ARG HG3 H 1.66 0.02 2 501 . 46 ARG HD2 H 3.07 0.02 2 502 . 46 ARG HD3 H 3.09 0.02 2 503 . 46 ARG C C 177.7 0.2 1 504 . 46 ARG CA C 56.0 0.2 1 505 . 46 ARG CB C 29.7 0.2 1 506 . 46 ARG CG C 26.6 0.2 1 507 . 46 ARG CD C 41.7 0.2 1 508 . 46 ARG N N 114.7 0.2 1 509 . 47 TYR H H 7.94 0.02 1 510 . 47 TYR HA H 4.08 0.02 1 511 . 47 TYR HB2 H 1.16 0.02 2 512 . 47 TYR HB3 H 1.47 0.02 2 513 . 47 TYR HD1 H 6.63 0.02 3 514 . 47 TYR HE1 H 6.56 0.02 3 515 . 47 TYR C C 176.8 0.2 1 516 . 47 TYR CA C 58.8 0.2 1 517 . 47 TYR CB C 36.9 0.2 1 518 . 47 TYR CD1 C 132.7 0.2 3 519 . 47 TYR CE1 C 117.3 0.2 3 520 . 47 TYR N N 113.7 0.2 1 521 . 48 GLY H H 7.57 0.02 1 522 . 48 GLY HA2 H 3.96 0.02 2 523 . 48 GLY HA3 H 4.07 0.02 2 524 . 48 GLY C C 174.5 0.2 1 525 . 48 GLY CA C 46.0 0.2 1 526 . 48 GLY N N 109.1 0.2 1 527 . 49 TRP H H 6.41 0.02 1 528 . 49 TRP HA H 5.14 0.02 1 529 . 49 TRP HB2 H 2.76 0.02 2 530 . 49 TRP HB3 H 3.36 0.02 2 531 . 49 TRP HD1 H 7.13 0.02 1 532 . 49 TRP HE1 H 10.33 0.02 1 533 . 49 TRP HE3 H 6.79 0.02 1 534 . 49 TRP HZ2 H 7.21 0.02 1 535 . 49 TRP HZ3 H 6.51 0.02 1 536 . 49 TRP HH2 H 6.79 0.02 1 537 . 49 TRP C C 176.4 0.2 1 538 . 49 TRP CA C 53.8 0.2 1 539 . 49 TRP CB C 31.8 0.2 1 540 . 49 TRP CD1 C 124.2 0.2 1 541 . 49 TRP CE3 C 117.4 0.2 1 542 . 49 TRP CZ2 C 115.7 0.2 1 543 . 49 TRP CZ3 C 121.8 0.2 1 544 . 49 TRP CH2 C 124.1 0.2 1 545 . 49 TRP N N 118.9 0.2 1 546 . 49 TRP NE1 N 129.4 0.2 1 547 . 50 SER H H 8.84 0.02 1 548 . 50 SER HA H 4.52 0.02 1 549 . 50 SER HB2 H 4.24 0.02 2 550 . 50 SER HB3 H 4.48 0.02 2 551 . 50 SER C C 174.3 0.2 1 552 . 50 SER CA C 57.3 0.2 1 553 . 50 SER CB C 64.7 0.2 1 554 . 50 SER N N 116.9 0.2 1 555 . 51 LYS H H 8.94 0.02 1 556 . 51 LYS HA H 3.67 0.02 1 557 . 51 LYS HB2 H 1.82 0.02 2 558 . 51 LYS HB3 H 1.90 0.02 2 559 . 51 LYS HG2 H 1.31 0.02 2 560 . 51 LYS HG3 H 1.41 0.02 2 561 . 51 LYS HD2 H 1.68 0.02 2 562 . 51 LYS HD3 H 1.71 0.02 2 563 . 51 LYS HE2 H 3.05 0.02 2 564 . 51 LYS HE3 H 3.07 0.02 2 565 . 51 LYS C C 177.7 0.2 1 566 . 51 LYS CA C 60.6 0.2 1 567 . 51 LYS CB C 32.5 0.2 1 568 . 51 LYS CG C 24.9 0.2 1 569 . 51 LYS CD C 29.6 0.2 1 570 . 51 LYS CE C 42.2 0.2 1 571 . 51 LYS N N 123.8 0.2 1 572 . 52 GLU H H 8.66 0.02 1 573 . 52 GLU HA H 4.09 0.02 1 574 . 52 GLU HB2 H 1.95 0.02 2 575 . 52 GLU HB3 H 2.10 0.02 2 576 . 52 GLU HG2 H 2.32 0.02 2 577 . 52 GLU HG3 H 2.40 0.02 2 578 . 52 GLU C C 179.2 0.2 1 579 . 52 GLU CA C 60.2 0.2 1 580 . 52 GLU CB C 29.1 0.2 1 581 . 52 GLU CG C 37.0 0.2 1 582 . 52 GLU N N 116.3 0.2 1 583 . 53 ARG H H 7.88 0.02 1 584 . 53 ARG HA H 4.07 0.02 1 585 . 53 ARG HB2 H 1.78 0.02 2 586 . 53 ARG HB3 H 1.84 0.02 2 587 . 53 ARG HG2 H 0.85 0.02 2 588 . 53 ARG HG3 H 0.89 0.02 2 589 . 53 ARG HD2 H 2.43 0.02 2 590 . 53 ARG HD3 H 2.82 0.02 2 591 . 53 ARG C C 177.8 0.2 1 592 . 53 ARG CA C 58.4 0.2 1 593 . 53 ARG CB C 29.5 0.2 1 594 . 53 ARG CG C 26.5 0.2 1 595 . 53 ARG CD C 42.4 0.2 1 596 . 53 ARG N N 121.4 0.2 1 597 . 54 ALA H H 8.50 0.02 1 598 . 54 ALA HA H 4.08 0.02 1 599 . 54 ALA HB H 1.71 0.02 1 600 . 54 ALA C C 179.0 0.2 1 601 . 54 ALA CA C 55.9 0.2 1 602 . 54 ALA CB C 20.6 0.2 1 603 . 54 ALA N N 121.1 0.2 1 604 . 55 GLU H H 9.06 0.02 1 605 . 55 GLU HA H 3.93 0.02 1 606 . 55 GLU HB2 H 1.98 0.02 2 607 . 55 GLU HB3 H 2.27 0.02 2 608 . 55 GLU HG2 H 2.26 0.02 2 609 . 55 GLU HG3 H 2.66 0.02 2 610 . 55 GLU C C 179.5 0.2 1 611 . 55 GLU CA C 60.0 0.2 1 612 . 55 GLU CB C 29.7 0.2 1 613 . 55 GLU CG C 38.2 0.2 1 614 . 55 GLU N N 116.5 0.2 1 615 . 56 GLN H H 7.98 0.02 1 616 . 56 GLN HA H 4.00 0.02 1 617 . 56 GLN HB2 H 2.28 0.02 2 618 . 56 GLN HB3 H 2.31 0.02 2 619 . 56 GLN HG2 H 2.43 0.02 2 620 . 56 GLN HG3 H 2.52 0.02 2 621 . 56 GLN HE21 H 6.82 0.02 2 622 . 56 GLN HE22 H 7.70 0.02 2 623 . 56 GLN C C 178.6 0.2 1 624 . 56 GLN CA C 59.1 0.2 1 625 . 56 GLN CB C 27.9 0.2 1 626 . 56 GLN CG C 33.6 0.2 1 627 . 56 GLN CD C 180.5 0.2 1 628 . 56 GLN N N 120.8 0.2 1 629 . 56 GLN NE2 N 113.5 0.2 1 630 . 57 GLU H H 8.49 0.02 1 631 . 57 GLU HA H 4.11 0.02 1 632 . 57 GLU HB2 H 2.31 0.02 2 633 . 57 GLU HB3 H 2.80 0.02 2 634 . 57 GLU HG2 H 2.07 0.02 2 635 . 57 GLU HG3 H 2.09 0.02 2 636 . 57 GLU C C 179.5 0.2 1 637 . 57 GLU CA C 60.2 0.2 1 638 . 57 GLU CB C 28.5 0.2 1 639 . 57 GLU CG C 37.2 0.2 1 640 . 57 GLU N N 120.4 0.2 1 641 . 58 VAL H H 8.25 0.02 1 642 . 58 VAL HA H 4.05 0.02 1 643 . 58 VAL HB H 2.17 0.02 1 644 . 58 VAL HG1 H 1.15 0.02 1 645 . 58 VAL HG2 H 0.96 0.02 1 646 . 58 VAL C C 178.7 0.2 1 647 . 58 VAL CA C 67.9 0.2 1 648 . 58 VAL CB C 31.5 0.2 1 649 . 58 VAL CG1 C 21.9 0.2 1 650 . 58 VAL CG2 C 25.4 0.2 1 651 . 58 VAL N N 120.3 0.2 1 652 . 59 ARG H H 8.68 0.02 1 653 . 59 ARG HA H 4.18 0.02 1 654 . 59 ARG HB2 H 2.04 0.02 2 655 . 59 ARG HB3 H 2.03 0.02 2 656 . 59 ARG HG2 H 1.74 0.02 2 657 . 59 ARG HG3 H 1.85 0.02 2 658 . 59 ARG HD2 H 3.28 0.02 2 659 . 59 ARG HD3 H 3.33 0.02 2 660 . 59 ARG C C 178.2 0.2 1 661 . 59 ARG CA C 59.9 0.2 1 662 . 59 ARG CB C 30.1 0.2 1 663 . 59 ARG CG C 27.5 0.2 1 664 . 59 ARG CD C 43.5 0.2 1 665 . 59 ARG N N 124.3 0.2 1 666 . 60 ASP H H 8.57 0.02 1 667 . 60 ASP HA H 4.43 0.02 1 668 . 60 ASP HB2 H 2.87 0.02 2 669 . 60 ASP HB3 H 2.89 0.02 2 670 . 60 ASP C C 178.3 0.2 1 671 . 60 ASP CA C 57.8 0.2 1 672 . 60 ASP CB C 41.7 0.2 1 673 . 60 ASP N N 119.5 0.2 1 674 . 61 PHE H H 8.19 0.02 1 675 . 61 PHE HA H 4.22 0.02 1 676 . 61 PHE HB2 H 3.40 0.02 2 677 . 61 PHE HB3 H 3.59 0.02 2 678 . 61 PHE HD1 H 7.16 0.02 3 679 . 61 PHE HE1 H 7.10 0.02 3 680 . 61 PHE HZ H 7.02 0.02 1 681 . 61 PHE C C 177.6 0.2 1 682 . 61 PHE CA C 60.6 0.2 1 683 . 61 PHE CB C 41.4 0.2 1 684 . 61 PHE CD1 C 132.5 0.2 3 685 . 61 PHE CE1 C 130.8 0.2 3 686 . 61 PHE CZ C 129.3 0.2 1 687 . 61 PHE N N 118.6 0.2 1 688 . 62 SER H H 8.77 0.02 1 689 . 62 SER HA H 3.97 0.02 1 690 . 62 SER HB2 H 4.03 0.02 2 691 . 62 SER HB3 H 4.24 0.02 2 692 . 62 SER C C 176.1 0.2 1 693 . 62 SER CA C 61.6 0.2 1 694 . 62 SER CB C 63.3 0.2 1 695 . 62 SER N N 114.5 0.2 1 696 . 63 ASP H H 8.33 0.02 1 697 . 63 ASP HA H 4.57 0.02 1 698 . 63 ASP HB2 H 2.75 0.02 2 699 . 63 ASP HB3 H 2.94 0.02 2 700 . 63 ASP C C 177.3 0.2 1 701 . 63 ASP CA C 56.4 0.2 1 702 . 63 ASP CB C 41.2 0.2 1 703 . 63 ASP N N 121.3 0.2 1 704 . 64 ARG H H 7.31 0.02 1 705 . 64 ARG HA H 4.39 0.02 1 706 . 64 ARG HB2 H 1.67 0.02 2 707 . 64 ARG HB3 H 2.04 0.02 2 708 . 64 ARG HG2 H 1.67 0.02 2 709 . 64 ARG HG3 H 1.79 0.02 2 710 . 64 ARG HD2 H 3.15 0.02 2 711 . 64 ARG HD3 H 3.20 0.02 2 712 . 64 ARG C C 176.0 0.2 1 713 . 64 ARG CA C 55.7 0.2 1 714 . 64 ARG CB C 30.6 0.2 1 715 . 64 ARG CG C 27.6 0.2 1 716 . 64 ARG CD C 43.6 0.2 1 717 . 64 ARG N N 117.0 0.2 1 718 . 65 LEU H H 7.06 0.02 1 719 . 65 LEU HA H 3.94 0.02 1 720 . 65 LEU HB2 H 1.41 0.02 2 721 . 65 LEU HB3 H 1.72 0.02 2 722 . 65 LEU HG H 1.59 0.02 1 723 . 65 LEU HD1 H 0.72 0.02 1 724 . 65 LEU HD2 H 0.47 0.02 1 725 . 65 LEU CA C 56.7 0.2 1 726 . 65 LEU CB C 42.8 0.2 1 727 . 65 LEU CG C 26.3 0.2 1 728 . 65 LEU CD1 C 26.4 0.2 1 729 . 65 LEU CD2 C 22.7 0.2 1 730 . 65 LEU N N 126.3 0.2 1 stop_ save_