data_6369 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C 15N chemical shift assignment Bacillus halodurans Protein BH1534: The Northeast Structural Genomics Consortium Target BhR29 ; _BMRB_accession_number 6369 _BMRB_flat_file_name bmr6369.str _Entry_type original _Submission_date 2004-10-27 _Accession_date 2004-10-28 _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 Liu Gaohua . . 2 Ma Lichung . . 3 Shen Yang . . 4 Acton Thomas . . 5 Atreya Hanudatta S. . 6 Xiao Rong . . 7 Montelione Gaetano T. . 8 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 844 "13C chemical shifts" 501 "15N chemical shifts" 148 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-28 update BMRB 'update entry citation' 2005-10-31 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR data collection and analysis protocol for high-throughput protein structure determination' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16027363 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Gaohua . . 2 Shen Yang . . 3 Atreya Hanudatta S. . 4 Parish David . . 5 Shao Ying . . 6 Sukumaran Dinesh K. . 7 Xiao Rong . . 8 Yee Adelinda . . 9 Lemak Alexander . . 10 Bhattacharya Aneerban . . 11 Acton Thomas A. . 12 Arrowsmith Cheryl H. . 13 Montelione Gaetano T. . 14 Szyperski Thomas . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 102 _Journal_issue 30 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10487 _Page_last 10492 _Year 2005 _Details . loop_ _Keyword NESGC 'GFT NMR' stop_ save_ ################################## # Molecular system description # ################################## save_molecular_system_BH1534 _Saveframe_category molecular_system _Mol_system_name 'Protein BH1534' _Abbreviation_common 'Protein BH1534' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Protein BH1534' $Protein_BH1534 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Protein_BH1534 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Protein BH1534' _Abbreviation_common 'Protein BH1534' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 138 _Mol_residue_sequence ; MTRLPDIKKEVRFNAPIEKV WEAVSTSEGLAFWFMENDLK AETGHHFHLQSPFGPSPCQV TDVERPIKLSFTWDTDGWSV TFHLKEEENGTIFTIVHSGW KQGDTKVEKAGAESAVVHER MDRGWHDLVNERLRQIVE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 ARG 4 LEU 5 PRO 6 ASP 7 ILE 8 LYS 9 LYS 10 GLU 11 VAL 12 ARG 13 PHE 14 ASN 15 ALA 16 PRO 17 ILE 18 GLU 19 LYS 20 VAL 21 TRP 22 GLU 23 ALA 24 VAL 25 SER 26 THR 27 SER 28 GLU 29 GLY 30 LEU 31 ALA 32 PHE 33 TRP 34 PHE 35 MET 36 GLU 37 ASN 38 ASP 39 LEU 40 LYS 41 ALA 42 GLU 43 THR 44 GLY 45 HIS 46 HIS 47 PHE 48 HIS 49 LEU 50 GLN 51 SER 52 PRO 53 PHE 54 GLY 55 PRO 56 SER 57 PRO 58 CYS 59 GLN 60 VAL 61 THR 62 ASP 63 VAL 64 GLU 65 ARG 66 PRO 67 ILE 68 LYS 69 LEU 70 SER 71 PHE 72 THR 73 TRP 74 ASP 75 THR 76 ASP 77 GLY 78 TRP 79 SER 80 VAL 81 THR 82 PHE 83 HIS 84 LEU 85 LYS 86 GLU 87 GLU 88 GLU 89 ASN 90 GLY 91 THR 92 ILE 93 PHE 94 THR 95 ILE 96 VAL 97 HIS 98 SER 99 GLY 100 TRP 101 LYS 102 GLN 103 GLY 104 ASP 105 THR 106 LYS 107 VAL 108 GLU 109 LYS 110 ALA 111 GLY 112 ALA 113 GLU 114 SER 115 ALA 116 VAL 117 VAL 118 HIS 119 GLU 120 ARG 121 MET 122 ASP 123 ARG 124 GLY 125 TRP 126 HIS 127 ASP 128 LEU 129 VAL 130 ASN 131 GLU 132 ARG 133 LEU 134 ARG 135 GLN 136 ILE 137 VAL 138 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 1XN5 "Solution Structure Of Bacillus Halodurans Protein Bh1534: The Northeast Structural Genomics Consortium Target Bhr29" 100.00 146 100.00 100.00 9.10e-96 DBJ BAB05253 "BH1534 [Bacillus halodurans C-125]" 100.00 138 100.00 100.00 4.46e-96 REF NP_242400 "hypothetical protein BH1534 [Bacillus halodurans C-125]" 100.00 138 100.00 100.00 4.46e-96 REF WP_010897699 "hypothetical protein [Bacillus halodurans]" 100.00 138 100.00 100.00 4.46e-96 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Protein_BH1534 'Bacillus halodurans' 86665 Bacteria 'Not applicable' Bacillus halodurans 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 $Protein_BH1534 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Protein_BH1534 0.8 mM '[U-13C; U-15N]' MES 20 mM . NaCl 100 mM . DTT 10 mM . CaCl2 5 mM . NaN3 0.02 % . H2O 95 % . D2O 5 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_750MHz_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_GFT_(4,3)D_HNNCabCa_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HNNCabCa' _Sample_label . save_ save_GFT_(4,3)D_CabCacONHN_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D CabCacONHN' _Sample_label . save_ save_GFT_(4,3)D_HabCabcoNHN_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HabCabcoNHN' _Sample_label . save_ save_GFT_(4,3)HCCH_and_simutanously_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)HCCH and simutanously NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HNNCabCa' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D CabCacONHN' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HabCabcoNHN' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)HCCH and simutanously NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 1 K pH 6.5 0.1 pH pressure 1 0.001 atm 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 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 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_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 'GFT (4,3)D HNNCabCa' 'GFT (4,3)D CabCacONHN' 'GFT (4,3)D HabCabcoNHN' 'GFT (4,3)HCCH and simutanously NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Protein BH1534' _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 MET HE H 2.10 0.02 1 2 . 1 MET CE C 16.7 0.5 1 3 . 2 THR CA C 61.5 0.5 1 4 . 2 THR HA H 4.43 0.02 1 5 . 2 THR CB C 69.9 0.5 1 6 . 2 THR HB H 4.16 0.02 1 7 . 2 THR HG2 H 1.22 0.02 1 8 . 2 THR CG2 C 21.7 0.5 1 9 . 3 ARG N N 122.9 0.5 1 10 . 3 ARG H H 8.39 0.02 1 11 . 3 ARG CA C 56.0 0.5 1 12 . 3 ARG HA H 4.14 0.02 1 13 . 3 ARG CB C 30.9 0.5 1 14 . 3 ARG HB2 H 1.71 0.02 2 15 . 3 ARG HB3 H 1.92 0.02 2 16 . 3 ARG CG C 27.9 0.5 1 17 . 3 ARG HG2 H 1.56 0.02 2 18 . 3 ARG HG3 H 1.71 0.02 2 19 . 3 ARG CD C 43.1 0.5 1 20 . 3 ARG HD2 H 3.29 0.02 1 21 . 3 ARG HD3 H 3.29 0.02 1 22 . 3 ARG NE N 85.5 0.5 1 23 . 3 ARG HE H 7.74 0.02 1 24 . 4 LEU N N 123.6 0.5 1 25 . 4 LEU H H 7.79 0.02 1 26 . 4 LEU CA C 52.5 0.5 1 27 . 4 LEU HA H 4.23 0.02 1 28 . 4 LEU CB C 40.8 0.5 1 29 . 4 LEU HB2 H 0.32 0.02 1 30 . 4 LEU HB3 H 1.46 0.02 1 31 . 4 LEU CG C 26.6 0.5 1 32 . 4 LEU HG H 1.59 0.02 1 33 . 4 LEU HD1 H 0.46 0.02 1 34 . 4 LEU HD2 H 0.55 0.02 1 35 . 4 LEU CD1 C 22.5 0.5 1 36 . 4 LEU CD2 C 26.5 0.5 1 37 . 5 PRO CD C 49.7 0.5 1 38 . 5 PRO CA C 61.4 0.5 1 39 . 5 PRO HA H 4.48 0.02 1 40 . 5 PRO CB C 32.1 0.5 1 41 . 5 PRO HB2 H 1.97 0.02 1 42 . 5 PRO HB3 H 2.27 0.02 1 43 . 5 PRO CG C 27.1 0.5 1 44 . 5 PRO HG2 H 1.90 0.02 2 45 . 5 PRO HG3 H 2.00 0.02 2 46 . 5 PRO HD2 H 3.08 0.02 2 47 . 5 PRO HD3 H 3.60 0.02 2 48 . 6 ASP N N 120.1 0.5 1 49 . 6 ASP H H 8.62 0.02 1 50 . 6 ASP CA C 55.3 0.5 1 51 . 6 ASP HA H 4.71 0.02 1 52 . 6 ASP CB C 39.9 0.5 1 53 . 6 ASP HB2 H 2.37 0.02 2 54 . 6 ASP HB3 H 2.43 0.02 2 55 . 7 ILE N N 123.6 0.5 1 56 . 7 ILE H H 8.33 0.02 1 57 . 7 ILE CA C 61.1 0.5 1 58 . 7 ILE HA H 4.06 0.02 1 59 . 7 ILE CB C 40.0 0.5 1 60 . 7 ILE HB H 1.82 0.02 1 61 . 7 ILE HG2 H 0.98 0.02 1 62 . 7 ILE CG2 C 17.0 0.5 1 63 . 7 ILE CG1 C 27.6 0.5 1 64 . 7 ILE HG12 H 0.50 0.02 1 65 . 7 ILE HG13 H 1.19 0.02 1 66 . 7 ILE HD1 H 0.35 0.02 1 67 . 7 ILE CD1 C 14.9 0.5 1 68 . 8 LYS N N 128.9 0.5 1 69 . 8 LYS H H 8.53 0.02 1 70 . 8 LYS CA C 54.3 0.5 1 71 . 8 LYS HA H 5.69 0.02 1 72 . 8 LYS CB C 35.1 0.5 1 73 . 8 LYS HB2 H 1.54 0.02 1 74 . 8 LYS HB3 H 1.71 0.02 1 75 . 8 LYS CG C 24.8 0.5 1 76 . 8 LYS HG2 H 1.06 0.02 2 77 . 8 LYS HG3 H 1.26 0.02 2 78 . 8 LYS CD C 29.3 0.5 1 79 . 8 LYS HD2 H 1.57 0.02 1 80 . 8 LYS HD3 H 1.57 0.02 1 81 . 8 LYS CE C 41.8 0.5 1 82 . 8 LYS HE2 H 2.77 0.02 1 83 . 8 LYS HE3 H 2.77 0.02 1 84 . 9 LYS N N 122.5 0.5 1 85 . 9 LYS H H 8.54 0.02 1 86 . 9 LYS CA C 52.9 0.5 1 87 . 9 LYS HA H 4.92 0.02 1 88 . 9 LYS CB C 34.2 0.5 1 89 . 9 LYS HB2 H 1.85 0.02 2 90 . 9 LYS HB3 H 1.79 0.02 2 91 . 9 LYS CG C 24.7 0.5 1 92 . 9 LYS HG2 H 1.15 0.02 2 93 . 9 LYS HG3 H 1.40 0.02 2 94 . 9 LYS CD C 27.9 0.5 1 95 . 9 LYS HD2 H 1.74 0.02 2 96 . 9 LYS HD3 H 2.12 0.02 2 97 . 9 LYS CE C 43.0 0.5 1 98 . 9 LYS HE2 H 2.80 0.02 2 99 . 9 LYS HE3 H 3.39 0.02 2 100 . 10 GLU N N 123.0 0.5 1 101 . 10 GLU H H 8.40 0.02 1 102 . 10 GLU CA C 54.6 0.5 1 103 . 10 GLU HA H 5.48 0.02 1 104 . 10 GLU CB C 33.7 0.5 1 105 . 10 GLU HB2 H 1.76 0.02 1 106 . 10 GLU HB3 H 1.83 0.02 1 107 . 10 GLU CG C 36.8 0.5 1 108 . 10 GLU HG2 H 1.77 0.02 2 109 . 10 GLU HG3 H 2.06 0.02 2 110 . 11 VAL N N 121.8 0.5 1 111 . 11 VAL H H 9.17 0.02 1 112 . 11 VAL CA C 59.2 0.5 1 113 . 11 VAL HA H 4.44 0.02 1 114 . 11 VAL CB C 35.9 0.5 1 115 . 11 VAL HB H 1.63 0.02 1 116 . 11 VAL HG1 H 0.30 0.02 1 117 . 11 VAL HG2 H 0.56 0.02 1 118 . 11 VAL CG1 C 20.2 0.5 1 119 . 11 VAL CG2 C 22.0 0.5 1 120 . 12 ARG N N 121.7 0.5 1 121 . 12 ARG H H 8.33 0.02 1 122 . 12 ARG CA C 54.2 0.5 1 123 . 12 ARG HA H 4.88 0.02 1 124 . 12 ARG CB C 31.6 0.5 1 125 . 12 ARG HB2 H 1.53 0.02 1 126 . 12 ARG HB3 H 1.67 0.02 1 127 . 12 ARG CG C 27.9 0.5 1 128 . 12 ARG HG2 H 1.29 0.02 2 129 . 12 ARG HG3 H 1.39 0.02 2 130 . 12 ARG CD C 43.1 0.5 1 131 . 12 ARG HD2 H 3.05 0.02 2 132 . 12 ARG HD3 H 3.08 0.02 2 133 . 12 ARG NE N 85.2 0.5 1 134 . 12 ARG HE H 7.53 0.02 1 135 . 13 PHE N N 122.7 0.5 1 136 . 13 PHE H H 9.38 0.02 1 137 . 13 PHE CA C 53.8 0.5 1 138 . 13 PHE HA H 5.32 0.02 1 139 . 13 PHE CB C 42.6 0.5 1 140 . 13 PHE HB2 H 2.64 0.02 1 141 . 13 PHE HB3 H 2.84 0.02 1 142 . 13 PHE HD1 H 6.89 0.02 1 143 . 13 PHE HD2 H 6.89 0.02 1 144 . 13 PHE HE1 H 6.56 0.02 1 145 . 13 PHE HE2 H 6.56 0.02 1 146 . 13 PHE CD1 C 129.7 0.5 1 147 . 13 PHE CE1 C 129.8 0.5 1 148 . 13 PHE CZ C 129.9 0.5 1 149 . 13 PHE HZ H 6.77 0.02 1 150 . 13 PHE CE2 C 129.8 0.5 1 151 . 13 PHE CD2 C 129.7 0.5 1 152 . 14 ASN N N 126.5 0.5 1 153 . 14 ASN H H 10.60 0.02 1 154 . 14 ASN CA C 51.5 0.5 1 155 . 14 ASN HA H 5.04 0.02 1 156 . 14 ASN CB C 36.3 0.5 1 157 . 14 ASN HB2 H 2.64 0.02 1 158 . 14 ASN HB3 H 2.85 0.02 1 159 . 14 ASN ND2 N 112.4 0.5 1 160 . 14 ASN HD21 H 7.63 0.02 1 161 . 14 ASN HD22 H 6.87 0.02 1 162 . 15 ALA N N 121.7 0.5 1 163 . 15 ALA H H 7.72 0.02 1 164 . 15 ALA CA C 50.7 0.5 1 165 . 15 ALA HA H 3.85 0.02 1 166 . 15 ALA HB H 0.99 0.02 1 167 . 15 ALA CB C 21.0 0.5 1 168 . 16 PRO CD C 50.7 0.5 1 169 . 16 PRO CA C 61.4 0.5 1 170 . 16 PRO HA H 4.69 0.02 1 171 . 16 PRO CB C 32.9 0.5 1 172 . 16 PRO HB2 H 2.14 0.02 1 173 . 16 PRO HB3 H 2.45 0.02 1 174 . 16 PRO CG C 27.3 0.5 1 175 . 16 PRO HG2 H 2.02 0.02 2 176 . 16 PRO HG3 H 2.11 0.02 2 177 . 16 PRO HD2 H 3.47 0.02 2 178 . 16 PRO HD3 H 3.85 0.02 2 179 . 17 ILE N N 125.1 0.5 1 180 . 17 ILE H H 8.84 0.02 1 181 . 17 ILE CA C 65.9 0.5 1 182 . 17 ILE HA H 4.14 0.02 1 183 . 17 ILE CB C 38.0 0.5 1 184 . 17 ILE HB H 1.78 0.02 1 185 . 17 ILE HG2 H 0.94 0.02 1 186 . 17 ILE CG2 C 15.8 0.5 1 187 . 17 ILE CG1 C 30.5 0.5 1 188 . 17 ILE HG12 H 1.14 0.02 1 189 . 17 ILE HG13 H 1.64 0.02 1 190 . 17 ILE HD1 H 0.79 0.02 1 191 . 17 ILE CD1 C 14.9 0.5 1 192 . 18 GLU N N 119.9 0.5 1 193 . 18 GLU H H 8.91 0.02 1 194 . 18 GLU CA C 60.1 0.5 1 195 . 18 GLU HA H 4.02 0.02 1 196 . 18 GLU CB C 28.4 0.5 1 197 . 18 GLU HB2 H 1.99 0.02 1 198 . 18 GLU HB3 H 2.10 0.02 1 199 . 18 GLU CG C 36.8 0.5 1 200 . 18 GLU HG2 H 2.31 0.02 1 201 . 18 GLU HG3 H 2.31 0.02 1 202 . 19 LYS N N 118.9 0.5 1 203 . 19 LYS H H 7.29 0.02 1 204 . 19 LYS CA C 57.8 0.5 1 205 . 19 LYS HA H 4.20 0.02 1 206 . 19 LYS CB C 32.4 0.5 1 207 . 19 LYS HB2 H 1.94 0.02 1 208 . 19 LYS HB3 H 1.89 0.02 1 209 . 19 LYS CG C 24.7 0.5 1 210 . 19 LYS HG2 H 1.38 0.02 2 211 . 19 LYS HG3 H 1.44 0.02 2 212 . 19 LYS CD C 28.7 0.5 1 213 . 19 LYS HD2 H 1.70 0.02 2 214 . 19 LYS HD3 H 1.72 0.02 2 215 . 19 LYS CE C 42.1 0.5 1 216 . 19 LYS HE2 H 2.94 0.02 1 217 . 19 LYS HE3 H 2.94 0.02 1 218 . 20 VAL N N 119.8 0.5 1 219 . 20 VAL H H 7.45 0.02 1 220 . 20 VAL CA C 65.6 0.5 1 221 . 20 VAL HA H 3.32 0.02 1 222 . 20 VAL CB C 30.7 0.5 1 223 . 20 VAL HB H 2.21 0.02 1 224 . 20 VAL HG1 H 0.75 0.02 2 225 . 20 VAL HG2 H 0.76 0.02 2 226 . 20 VAL CG1 C 22.5 0.5 2 227 . 20 VAL CG2 C 22.4 0.5 2 228 . 21 TRP N N 118.6 0.5 1 229 . 21 TRP H H 9.20 0.02 1 230 . 21 TRP CA C 59.6 0.5 1 231 . 21 TRP HA H 4.41 0.02 1 232 . 21 TRP CB C 29.6 0.5 1 233 . 21 TRP HB2 H 3.28 0.02 1 234 . 21 TRP HB3 H 3.48 0.02 1 235 . 21 TRP CD1 C 126.1 0.5 1 236 . 21 TRP CE3 C 121.6 0.5 1 237 . 21 TRP NE1 N 129.6 0.5 1 238 . 21 TRP HD1 H 7.20 0.02 1 239 . 21 TRP HE3 H 7.41 0.02 1 240 . 21 TRP CZ3 C 120.2 0.5 1 241 . 21 TRP CZ2 C 112.2 0.5 1 242 . 21 TRP HE1 H 9.91 0.02 1 243 . 21 TRP HZ3 H 6.60 0.02 1 244 . 21 TRP CH2 C 123.9 0.5 1 245 . 21 TRP HZ2 H 7.30 0.02 1 246 . 21 TRP HH2 H 7.27 0.02 1 247 . 22 GLU N N 120.6 0.5 1 248 . 22 GLU H H 7.85 0.02 1 249 . 22 GLU CA C 59.5 0.5 1 250 . 22 GLU HA H 3.69 0.02 1 251 . 22 GLU CB C 29.7 0.5 1 252 . 22 GLU HB2 H 2.08 0.02 1 253 . 22 GLU HB3 H 2.14 0.02 1 254 . 22 GLU CG C 36.0 0.5 1 255 . 22 GLU HG2 H 2.32 0.02 2 256 . 22 GLU HG3 H 2.46 0.02 2 257 . 23 ALA N N 118.5 0.5 1 258 . 23 ALA H H 7.13 0.02 1 259 . 23 ALA CA C 54.1 0.5 1 260 . 23 ALA HA H 4.09 0.02 1 261 . 23 ALA HB H 1.11 0.02 1 262 . 23 ALA CB C 19.0 0.5 1 263 . 24 VAL N N 105.0 0.5 1 264 . 24 VAL H H 7.16 0.02 1 265 . 24 VAL CA C 60.0 0.5 1 266 . 24 VAL HA H 4.77 0.02 1 267 . 24 VAL CB C 31.4 0.5 1 268 . 24 VAL HB H 2.43 0.02 1 269 . 24 VAL HG1 H 0.37 0.02 1 270 . 24 VAL HG2 H 0.83 0.02 1 271 . 24 VAL CG1 C 20.5 0.5 1 272 . 24 VAL CG2 C 18.1 0.5 1 273 . 25 SER N N 108.6 0.5 1 274 . 25 SER H H 7.16 0.02 1 275 . 25 SER CA C 57.3 0.5 1 276 . 25 SER HA H 4.26 0.02 1 277 . 25 SER CB C 65.1 0.5 1 278 . 25 SER HB2 H 1.60 0.02 1 279 . 25 SER HB3 H 3.11 0.02 1 280 . 25 SER HG H 2.88 0.02 1 281 . 26 THR N N 107.4 0.5 1 282 . 26 THR H H 6.90 0.02 1 283 . 26 THR CA C 57.7 0.5 1 284 . 26 THR HA H 4.48 0.02 1 285 . 26 THR CB C 72.1 0.5 1 286 . 26 THR HB H 4.42 0.02 1 287 . 26 THR HG2 H 1.22 0.02 1 288 . 26 THR HG1 H 5.22 0.02 1 289 . 26 THR CG2 C 21.8 0.5 1 290 . 27 SER N N 118.8 0.5 1 291 . 27 SER H H 8.81 0.02 1 292 . 27 SER CA C 59.7 0.5 1 293 . 27 SER HA H 4.74 0.02 1 294 . 27 SER CB C 62.3 0.5 1 295 . 27 SER HB2 H 3.94 0.02 1 296 . 27 SER HB3 H 4.04 0.02 1 297 . 28 GLU N N 120.1 0.5 1 298 . 28 GLU H H 9.01 0.02 1 299 . 28 GLU CA C 59.2 0.5 1 300 . 28 GLU HA H 3.83 0.02 1 301 . 28 GLU CB C 28.9 0.5 1 302 . 28 GLU HB2 H 1.79 0.02 1 303 . 28 GLU HB3 H 1.93 0.02 1 304 . 28 GLU CG C 36.4 0.5 1 305 . 28 GLU HG2 H 2.19 0.02 2 306 . 28 GLU HG3 H 2.27 0.02 2 307 . 29 GLY N N 107.1 0.5 1 308 . 29 GLY H H 7.55 0.02 1 309 . 29 GLY CA C 47.4 0.5 1 310 . 29 GLY HA2 H 3.74 0.02 1 311 . 29 GLY HA3 H 3.82 0.02 1 312 . 30 LEU N N 119.7 0.5 1 313 . 30 LEU H H 8.12 0.02 1 314 . 30 LEU CA C 57.0 0.5 1 315 . 30 LEU HA H 3.96 0.02 1 316 . 30 LEU CB C 43.1 0.5 1 317 . 30 LEU HB2 H 1.32 0.02 1 318 . 30 LEU HB3 H 1.65 0.02 1 319 . 30 LEU CG C 27.4 0.5 1 320 . 30 LEU HG H 1.52 0.02 1 321 . 30 LEU HD1 H 0.62 0.02 1 322 . 30 LEU HD2 H 0.82 0.02 1 323 . 30 LEU CD1 C 25.7 0.5 1 324 . 30 LEU CD2 C 24.1 0.5 1 325 . 31 ALA N N 118.8 0.5 1 326 . 31 ALA H H 7.87 0.02 1 327 . 31 ALA CA C 53.4 0.5 1 328 . 31 ALA HA H 3.66 0.02 1 329 . 31 ALA HB H 1.30 0.02 1 330 . 31 ALA CB C 18.1 0.5 1 331 . 32 PHE N N 115.2 0.5 1 332 . 32 PHE H H 7.59 0.02 1 333 . 32 PHE CA C 59.6 0.5 1 334 . 32 PHE HA H 4.48 0.02 1 335 . 32 PHE CB C 39.1 0.5 1 336 . 32 PHE HB2 H 3.30 0.02 2 337 . 32 PHE HB3 H 3.44 0.02 2 338 . 32 PHE HD1 H 7.35 0.02 1 339 . 32 PHE HD2 H 7.35 0.02 1 340 . 32 PHE HE1 H 7.32 0.02 1 341 . 32 PHE HE2 H 7.32 0.02 1 342 . 32 PHE CD1 C 130.8 0.5 1 343 . 32 PHE CE1 C 130.8 0.5 1 344 . 32 PHE CZ C 128.7 0.5 1 345 . 32 PHE HZ H 7.26 0.02 1 346 . 32 PHE CE2 C 130.8 0.5 1 347 . 32 PHE CD2 C 130.8 0.5 1 348 . 33 TRP N N 110.7 0.5 1 349 . 33 TRP H H 7.04 0.02 1 350 . 33 TRP CA C 55.6 0.5 1 351 . 33 TRP HA H 4.93 0.02 1 352 . 33 TRP CB C 30.2 0.5 1 353 . 33 TRP HB2 H 2.66 0.02 2 354 . 33 TRP HB3 H 3.50 0.02 2 355 . 33 TRP CD1 C 128.4 0.5 1 356 . 33 TRP CE3 C 121.2 0.5 1 357 . 33 TRP NE1 N 130.5 0.5 1 358 . 33 TRP HD1 H 7.50 0.02 1 359 . 33 TRP HE3 H 7.59 0.02 1 360 . 33 TRP CZ3 C 120.0 0.5 1 361 . 33 TRP CZ2 C 114.3 0.5 1 362 . 33 TRP HE1 H 9.78 0.02 1 363 . 33 TRP HZ3 H 7.08 0.02 1 364 . 33 TRP CH2 C 122.6 0.5 1 365 . 33 TRP HZ2 H 6.77 0.02 1 366 . 33 TRP HH2 H 6.85 0.02 1 367 . 34 PHE N N 123.6 0.5 1 368 . 34 PHE H H 7.80 0.02 1 369 . 34 PHE CA C 56.5 0.5 1 370 . 34 PHE HA H 4.71 0.02 1 371 . 34 PHE CB C 38.2 0.5 1 372 . 34 PHE HB2 H 0.67 0.02 1 373 . 34 PHE HB3 H 2.18 0.02 1 374 . 34 PHE HD1 H 6.65 0.02 1 375 . 34 PHE HD2 H 6.65 0.02 1 376 . 34 PHE HE1 H 6.70 0.02 1 377 . 34 PHE HE2 H 6.70 0.02 1 378 . 34 PHE CD1 C 129.3 0.5 1 379 . 34 PHE CE1 C 130.7 0.5 1 380 . 34 PHE CZ C 128.6 0.5 1 381 . 34 PHE HZ H 6.49 0.02 1 382 . 34 PHE CE2 C 130.7 0.5 1 383 . 34 PHE CD2 C 129.3 0.5 1 384 . 35 MET N N 116.2 0.5 1 385 . 35 MET H H 6.67 0.02 1 386 . 35 MET CA C 54.7 0.5 1 387 . 35 MET HA H 4.31 0.02 1 388 . 35 MET CB C 36.7 0.5 1 389 . 35 MET HB2 H 1.08 0.02 1 390 . 35 MET HB3 H 1.73 0.02 1 391 . 35 MET CG C 31.9 0.5 1 392 . 35 MET HG2 H 1.20 0.02 2 393 . 35 MET HG3 H 1.73 0.02 2 394 . 35 MET HE H 1.33 0.02 1 395 . 35 MET CE C 17.1 0.5 1 396 . 36 GLU N N 122.5 0.5 1 397 . 36 GLU H H 8.76 0.02 1 398 . 36 GLU CA C 57.9 0.5 1 399 . 36 GLU HA H 4.04 0.02 1 400 . 36 GLU CB C 28.8 0.5 1 401 . 36 GLU HB2 H 1.83 0.02 1 402 . 36 GLU HB3 H 1.95 0.02 1 403 . 36 GLU CG C 36.2 0.5 1 404 . 36 GLU HG2 H 2.21 0.02 2 405 . 36 GLU HG3 H 2.33 0.02 2 406 . 37 ASN N N 118.3 0.5 1 407 . 37 ASN H H 8.54 0.02 1 408 . 37 ASN CA C 54.3 0.5 1 409 . 37 ASN HA H 5.55 0.02 1 410 . 37 ASN CB C 44.8 0.5 1 411 . 37 ASN HB2 H 2.20 0.02 2 412 . 37 ASN HB3 H 2.70 0.02 2 413 . 37 ASN ND2 N 113.2 0.5 1 414 . 37 ASN HD21 H 7.74 0.02 2 415 . 37 ASN HD22 H 7.24 0.02 2 416 . 38 ASP N N 118.4 0.5 1 417 . 38 ASP H H 8.55 0.02 1 418 . 38 ASP CA C 52.2 0.5 1 419 . 38 ASP HA H 4.79 0.02 1 420 . 38 ASP CB C 38.2 0.5 1 421 . 38 ASP HB2 H 2.52 0.02 2 422 . 38 ASP HB3 H 2.96 0.02 2 423 . 39 LEU N N 124.1 0.5 1 424 . 39 LEU H H 9.02 0.02 1 425 . 39 LEU CA C 58.4 0.5 1 426 . 39 LEU HA H 2.58 0.02 1 427 . 39 LEU CB C 41.4 0.5 1 428 . 39 LEU HB2 H 0.14 0.02 1 429 . 39 LEU HB3 H 0.81 0.02 1 430 . 39 LEU CG C 27.0 0.5 1 431 . 39 LEU HG H 0.39 0.02 1 432 . 39 LEU HD1 H -0.20 0.02 1 433 . 39 LEU HD2 H 0.01 0.02 1 434 . 39 LEU CD1 C 24.8 0.5 1 435 . 39 LEU CD2 C 25.6 0.5 1 436 . 40 LYS N N 123.1 0.5 1 437 . 40 LYS H H 6.03 0.02 1 438 . 40 LYS CA C 55.5 0.5 1 439 . 40 LYS HA H 4.04 0.02 1 440 . 40 LYS CB C 34.7 0.5 1 441 . 40 LYS HB2 H 0.73 0.02 2 442 . 40 LYS HB3 H 0.77 0.02 2 443 . 40 LYS CG C 24.7 0.5 1 444 . 40 LYS HG2 H 0.91 0.02 2 445 . 40 LYS HG3 H 1.07 0.02 2 446 . 40 LYS CD C 29.2 0.5 1 447 . 40 LYS HD2 H 1.46 0.02 1 448 . 40 LYS HD3 H 1.46 0.02 1 449 . 40 LYS CE C 41.8 0.5 1 450 . 40 LYS HE2 H 2.86 0.02 1 451 . 40 LYS HE3 H 2.86 0.02 1 452 . 41 ALA N N 127.4 0.5 1 453 . 41 ALA H H 8.70 0.02 1 454 . 41 ALA CA C 51.2 0.5 1 455 . 41 ALA HA H 4.11 0.02 1 456 . 41 ALA HB H 1.43 0.02 1 457 . 41 ALA CB C 15.8 0.5 1 458 . 42 GLU N N 125.1 0.5 1 459 . 42 GLU H H 8.19 0.02 1 460 . 42 GLU CA C 54.5 0.5 1 461 . 42 GLU HA H 4.60 0.02 1 462 . 42 GLU CB C 33.3 0.5 1 463 . 42 GLU HB2 H 1.71 0.02 2 464 . 42 GLU HB3 H 1.84 0.02 2 465 . 42 GLU CG C 35.9 0.5 1 466 . 42 GLU HG2 H 2.11 0.02 2 467 . 42 GLU HG3 H 2.16 0.02 2 468 . 43 THR N N 122.9 0.5 1 469 . 43 THR H H 8.95 0.02 1 470 . 43 THR CA C 66.4 0.5 1 471 . 43 THR HA H 3.44 0.02 1 472 . 43 THR CB C 67.8 0.5 1 473 . 43 THR HB H 4.06 0.02 1 474 . 43 THR HG2 H 1.21 0.02 1 475 . 43 THR CG2 C 22.7 0.5 1 476 . 44 GLY N N 115.9 0.5 1 477 . 44 GLY H H 8.77 0.02 1 478 . 44 GLY CA C 44.7 0.5 1 479 . 44 GLY HA2 H 4.44 0.02 1 480 . 44 GLY HA3 H 3.74 0.02 1 481 . 45 HIS N N 121.1 0.5 1 482 . 45 HIS H H 8.21 0.02 1 483 . 45 HIS CA C 58.3 0.5 1 484 . 45 HIS HA H 4.47 0.02 1 485 . 45 HIS CB C 32.4 0.5 1 486 . 45 HIS HB2 H 3.19 0.02 2 487 . 45 HIS HB3 H 3.38 0.02 2 488 . 45 HIS CD2 C 116.7 0.5 1 489 . 45 HIS CE1 C 135.8 0.5 1 490 . 45 HIS HD2 H 6.67 0.02 1 491 . 45 HIS HE1 H 7.98 0.02 1 492 . 46 HIS N N 128.3 0.5 1 493 . 46 HIS H H 8.54 0.02 1 494 . 46 HIS CA C 55.8 0.5 1 495 . 46 HIS HA H 5.05 0.02 1 496 . 46 HIS CB C 29.9 0.5 1 497 . 46 HIS HB2 H 2.97 0.02 1 498 . 46 HIS HB3 H 3.16 0.02 1 499 . 46 HIS CD2 C 120.4 0.5 1 500 . 46 HIS CE1 C 135.8 0.5 1 501 . 46 HIS HD2 H 6.97 0.02 1 502 . 46 HIS HE1 H 7.98 0.02 1 503 . 47 PHE N N 119.4 0.5 1 504 . 47 PHE H H 8.56 0.02 1 505 . 47 PHE CA C 55.2 0.5 1 506 . 47 PHE HA H 4.96 0.02 1 507 . 47 PHE CB C 40.4 0.5 1 508 . 47 PHE HB2 H 2.82 0.02 1 509 . 47 PHE HB3 H 3.35 0.02 1 510 . 47 PHE HD1 H 6.88 0.02 1 511 . 47 PHE HD2 H 6.88 0.02 1 512 . 47 PHE HE1 H 7.19 0.02 1 513 . 47 PHE HE2 H 7.19 0.02 1 514 . 47 PHE CD1 C 132.1 0.5 1 515 . 47 PHE CE1 C 131.1 0.5 1 516 . 47 PHE CZ C 128.8 0.5 1 517 . 47 PHE HZ H 6.90 0.02 1 518 . 47 PHE CE2 C 131.1 0.5 1 519 . 47 PHE CD2 C 132.1 0.5 1 520 . 48 HIS N N 118.6 0.5 1 521 . 48 HIS H H 10.72 0.02 1 522 . 48 HIS CA C 55.6 0.5 1 523 . 48 HIS HA H 5.36 0.02 1 524 . 48 HIS CB C 32.4 0.5 1 525 . 48 HIS HB2 H 2.66 0.02 1 526 . 48 HIS HB3 H 2.80 0.02 1 527 . 48 HIS CD2 C 119.6 0.5 1 528 . 48 HIS CE1 C 135.8 0.5 1 529 . 48 HIS HD2 H 6.46 0.02 1 530 . 48 HIS HE1 H 7.99 0.02 1 531 . 49 LEU N N 119.7 0.5 1 532 . 49 LEU H H 8.09 0.02 1 533 . 49 LEU CA C 52.5 0.5 1 534 . 49 LEU HA H 4.73 0.02 1 535 . 49 LEU CB C 44.5 0.5 1 536 . 49 LEU HB2 H 1.34 0.02 2 537 . 49 LEU HB3 H 1.30 0.02 2 538 . 49 LEU CG C 25.8 0.5 1 539 . 49 LEU HG H 1.72 0.02 1 540 . 49 LEU HD1 H 0.04 0.02 1 541 . 49 LEU HD2 H 0.56 0.02 1 542 . 49 LEU CD1 C 24.1 0.5 1 543 . 49 LEU CD2 C 23.4 0.5 1 544 . 50 GLN N N 122.2 0.5 1 545 . 50 GLN H H 8.22 0.02 1 546 . 50 GLN CA C 53.9 0.5 1 547 . 50 GLN HA H 4.32 0.02 1 548 . 50 GLN CB C 25.6 0.5 1 549 . 50 GLN HB2 H 1.80 0.02 1 550 . 50 GLN HB3 H 1.98 0.02 1 551 . 50 GLN CG C 31.9 0.5 1 552 . 50 GLN HG2 H 2.06 0.02 2 553 . 50 GLN HG3 H 2.23 0.02 2 554 . 50 GLN NE2 N 111.8 0.5 1 555 . 50 GLN HE21 H 7.55 0.02 1 556 . 50 GLN HE22 H 6.65 0.02 1 557 . 51 SER N N 122.6 0.5 1 558 . 51 SER H H 7.41 0.02 1 559 . 51 SER CA C 57.8 0.5 1 560 . 51 SER HA H 5.27 0.02 1 561 . 51 SER CB C 65.6 0.5 1 562 . 51 SER HB2 H 3.84 0.02 2 563 . 51 SER HB3 H 4.33 0.02 2 564 . 51 SER HG H 6.50 0.02 1 565 . 52 PRO CD C 50.8 0.5 1 566 . 52 PRO CA C 64.1 0.5 1 567 . 52 PRO HA H 4.35 0.02 1 568 . 52 PRO CB C 31.4 0.5 1 569 . 52 PRO HB2 H 1.21 0.02 1 570 . 52 PRO HB3 H 2.28 0.02 1 571 . 52 PRO CG C 27.4 0.5 1 572 . 52 PRO HG2 H 1.79 0.02 2 573 . 52 PRO HG3 H 1.90 0.02 2 574 . 52 PRO HD2 H 3.47 0.02 2 575 . 52 PRO HD3 H 3.86 0.02 2 576 . 53 PHE N N 114.2 0.5 1 577 . 53 PHE H H 7.60 0.02 1 578 . 53 PHE CA C 54.8 0.5 1 579 . 53 PHE HA H 4.91 0.02 1 580 . 53 PHE CB C 38.5 0.5 1 581 . 53 PHE HB2 H 2.86 0.02 1 582 . 53 PHE HB3 H 3.36 0.02 1 583 . 53 PHE HD1 H 7.27 0.02 1 584 . 53 PHE HD2 H 7.27 0.02 1 585 . 53 PHE HE1 H 7.22 0.02 1 586 . 53 PHE HE2 H 7.22 0.02 1 587 . 53 PHE CD1 C 130.8 0.5 1 588 . 53 PHE CE1 C 129.2 0.5 1 589 . 53 PHE CZ C 128.9 0.5 1 590 . 53 PHE HZ H 7.31 0.02 1 591 . 53 PHE CE2 C 129.2 0.5 1 592 . 53 PHE CD2 C 130.8 0.5 1 593 . 54 GLY N N 108.8 0.5 1 594 . 54 GLY H H 7.56 0.02 1 595 . 54 GLY CA C 43.6 0.5 1 596 . 54 GLY HA2 H 3.91 0.02 1 597 . 54 GLY HA3 H 4.67 0.02 1 598 . 55 PRO CD C 49.4 0.5 1 599 . 55 PRO CA C 62.7 0.5 1 600 . 55 PRO HA H 4.93 0.02 1 601 . 55 PRO CB C 31.1 0.5 1 602 . 55 PRO HB2 H 1.82 0.02 2 603 . 55 PRO HB3 H 2.12 0.02 2 604 . 55 PRO CG C 27.6 0.5 1 605 . 55 PRO HG2 H 2.06 0.02 2 606 . 55 PRO HG3 H 2.15 0.02 2 607 . 55 PRO HD2 H 3.65 0.02 1 608 . 55 PRO HD3 H 3.65 0.02 1 609 . 56 SER N N 122.1 0.5 1 610 . 56 SER H H 9.32 0.02 1 611 . 56 SER CA C 55.4 0.5 1 612 . 56 SER HA H 5.23 0.02 1 613 . 56 SER CB C 65.5 0.5 1 614 . 56 SER HB2 H 3.90 0.02 2 615 . 56 SER HB3 H 3.98 0.02 2 616 . 57 PRO CD C 51.2 0.5 1 617 . 57 PRO CA C 62.8 0.5 1 618 . 57 PRO HA H 4.04 0.02 1 619 . 57 PRO CB C 32.0 0.5 1 620 . 57 PRO HB2 H 1.90 0.02 1 621 . 57 PRO HB3 H 2.03 0.02 1 622 . 57 PRO CG C 27.3 0.5 1 623 . 57 PRO HG2 H 2.16 0.02 1 624 . 57 PRO HG3 H 2.16 0.02 1 625 . 57 PRO HD2 H 4.00 0.02 1 626 . 57 PRO HD3 H 4.00 0.02 1 627 . 58 CYS N N 120.0 0.5 1 628 . 58 CYS H H 8.47 0.02 1 629 . 58 CYS CA C 57.4 0.5 1 630 . 58 CYS HA H 4.94 0.02 1 631 . 58 CYS CB C 33.7 0.5 1 632 . 58 CYS HB2 H 0.17 0.02 1 633 . 58 CYS HB3 H 2.22 0.02 1 634 . 59 GLN N N 119.9 0.5 1 635 . 59 GLN H H 7.94 0.02 1 636 . 59 GLN CA C 54.4 0.5 1 637 . 59 GLN HA H 5.26 0.02 1 638 . 59 GLN CB C 31.6 0.5 1 639 . 59 GLN HB2 H 1.49 0.02 1 640 . 59 GLN HB3 H 1.83 0.02 1 641 . 59 GLN CG C 32.8 0.5 1 642 . 59 GLN HG2 H 1.41 0.02 2 643 . 59 GLN HG3 H 1.88 0.02 2 644 . 59 GLN NE2 N 110.7 0.5 1 645 . 59 GLN HE21 H 7.04 0.02 2 646 . 59 GLN HE22 H 6.79 0.02 2 647 . 60 VAL N N 127.4 0.5 1 648 . 60 VAL H H 9.16 0.02 1 649 . 60 VAL CA C 64.2 0.5 1 650 . 60 VAL HA H 4.48 0.02 1 651 . 60 VAL CB C 31.9 0.5 1 652 . 60 VAL HB H 2.65 0.02 1 653 . 60 VAL HG1 H 1.00 0.02 1 654 . 60 VAL HG2 H 1.33 0.02 1 655 . 60 VAL CG1 C 23.2 0.5 1 656 . 60 VAL CG2 C 22.9 0.5 1 657 . 61 THR N N 121.7 0.5 1 658 . 61 THR H H 9.45 0.02 1 659 . 61 THR CA C 61.7 0.5 1 660 . 61 THR HA H 4.62 0.02 1 661 . 61 THR CB C 69.5 0.5 1 662 . 61 THR HB H 4.28 0.02 1 663 . 61 THR HG2 H 1.24 0.02 1 664 . 61 THR CG2 C 22.5 0.5 1 665 . 62 ASP N N 120.1 0.5 1 666 . 62 ASP H H 7.64 0.02 1 667 . 62 ASP CA C 54.8 0.5 1 668 . 62 ASP HA H 4.88 0.02 1 669 . 62 ASP CB C 43.6 0.5 1 670 . 62 ASP HB2 H 2.32 0.02 1 671 . 62 ASP HB3 H 2.72 0.02 1 672 . 63 VAL N N 121.7 0.5 1 673 . 63 VAL H H 7.92 0.02 1 674 . 63 VAL CA C 61.8 0.5 1 675 . 63 VAL HA H 4.64 0.02 1 676 . 63 VAL CB C 35.5 0.5 1 677 . 63 VAL HB H 2.13 0.02 1 678 . 63 VAL HG1 H 0.95 0.02 1 679 . 63 VAL HG2 H 1.17 0.02 1 680 . 63 VAL CG1 C 22.1 0.5 1 681 . 63 VAL CG2 C 20.8 0.5 1 682 . 64 GLU N N 128.9 0.5 1 683 . 64 GLU H H 9.25 0.02 1 684 . 64 GLU CA C 55.0 0.5 1 685 . 64 GLU HA H 4.52 0.02 1 686 . 64 GLU CB C 31.1 0.5 1 687 . 64 GLU HB2 H 1.90 0.02 1 688 . 64 GLU HB3 H 1.97 0.02 1 689 . 64 GLU CG C 35.5 0.5 1 690 . 64 GLU HG2 H 1.99 0.02 2 691 . 64 GLU HG3 H 2.14 0.02 2 692 . 65 ARG N N 129.0 0.5 1 693 . 65 ARG H H 9.08 0.02 1 694 . 65 ARG CA C 53.8 0.5 1 695 . 65 ARG HA H 3.03 0.02 1 696 . 65 ARG CB C 30.2 0.5 1 697 . 65 ARG HB2 H 1.49 0.02 2 698 . 65 ARG HB3 H 1.56 0.02 2 699 . 65 ARG CG C 25.7 0.5 1 700 . 65 ARG HG2 H 0.62 0.02 2 701 . 65 ARG HG3 H 1.00 0.02 2 702 . 65 ARG CD C 43.1 0.5 1 703 . 65 ARG HD2 H 3.07 0.02 2 704 . 65 ARG HD3 H 3.21 0.02 2 705 . 65 ARG NE N 84.2 0.5 1 706 . 65 ARG HE H 7.36 0.02 1 707 . 66 PRO CD C 48.4 0.5 1 708 . 66 PRO CA C 63.7 0.5 1 709 . 66 PRO HA H 2.41 0.02 1 710 . 66 PRO CB C 30.2 0.5 1 711 . 66 PRO HB2 H 1.01 0.02 2 712 . 66 PRO HB3 H 2.20 0.02 2 713 . 66 PRO CG C 22.9 0.5 1 714 . 66 PRO HG2 H 1.42 0.02 2 715 . 66 PRO HG3 H 1.77 0.02 2 716 . 66 PRO HD2 H 3.20 0.02 1 717 . 66 PRO HD3 H 3.30 0.02 1 718 . 67 ILE N N 107.6 0.5 1 719 . 67 ILE H H 7.67 0.02 1 720 . 67 ILE CA C 62.6 0.5 1 721 . 67 ILE HA H 4.87 0.02 1 722 . 67 ILE CB C 41.4 0.5 1 723 . 67 ILE HB H 2.29 0.02 1 724 . 67 ILE HG2 H 0.81 0.02 1 725 . 67 ILE CG2 C 18.1 0.5 1 726 . 67 ILE CG1 C 25.8 0.5 1 727 . 67 ILE HG12 H 0.79 0.02 2 728 . 67 ILE HG13 H 1.29 0.02 2 729 . 67 ILE HD1 H 0.84 0.02 1 730 . 67 ILE CD1 C 14.1 0.5 1 731 . 68 LYS N N 125.3 0.5 1 732 . 68 LYS H H 8.36 0.02 1 733 . 68 LYS CA C 56.4 0.5 1 734 . 68 LYS HA H 5.62 0.02 1 735 . 68 LYS CB C 36.9 0.5 1 736 . 68 LYS HB2 H 1.67 0.02 1 737 . 68 LYS HB3 H 1.86 0.02 1 738 . 68 LYS CG C 25.6 0.5 1 739 . 68 LYS HG2 H 0.98 0.02 2 740 . 68 LYS HG3 H 1.19 0.02 2 741 . 68 LYS CD C 29.3 0.5 1 742 . 68 LYS HD2 H 1.59 0.02 2 743 . 68 LYS HD3 H 1.63 0.02 2 744 . 68 LYS CE C 42.1 0.5 1 745 . 68 LYS HE2 H 2.72 0.02 2 746 . 68 LYS HE3 H 2.77 0.02 2 747 . 69 LEU N N 128.5 0.5 1 748 . 69 LEU H H 8.71 0.02 1 749 . 69 LEU CA C 55.2 0.5 1 750 . 69 LEU HA H 5.13 0.02 1 751 . 69 LEU CB C 46.6 0.5 1 752 . 69 LEU HB2 H 1.84 0.02 2 753 . 69 LEU HB3 H 1.89 0.02 2 754 . 69 LEU CG C 28.3 0.5 1 755 . 69 LEU HG H 1.72 0.02 1 756 . 69 LEU HD1 H 0.90 0.02 1 757 . 69 LEU HD2 H 1.00 0.02 1 758 . 69 LEU CD1 C 26.2 0.5 1 759 . 69 LEU CD2 C 25.7 0.5 1 760 . 70 SER N N 120.1 0.5 1 761 . 70 SER H H 9.11 0.02 1 762 . 70 SER CA C 56.2 0.5 1 763 . 70 SER HA H 5.77 0.02 1 764 . 70 SER CB C 66.8 0.5 1 765 . 70 SER HB2 H 3.58 0.02 1 766 . 70 SER HB3 H 3.69 0.02 1 767 . 71 PHE N N 119.4 0.5 1 768 . 71 PHE H H 9.11 0.02 1 769 . 71 PHE CA C 55.7 0.5 1 770 . 71 PHE HA H 5.83 0.02 1 771 . 71 PHE CB C 42.2 0.5 1 772 . 71 PHE HB2 H 3.10 0.02 1 773 . 71 PHE HB3 H 3.14 0.02 1 774 . 71 PHE HD1 H 6.80 0.02 1 775 . 71 PHE HD2 H 6.80 0.02 1 776 . 71 PHE HE1 H 6.73 0.02 1 777 . 71 PHE HE2 H 6.73 0.02 1 778 . 71 PHE CD1 C 132.1 0.5 1 779 . 71 PHE CE1 C 130.0 0.5 1 780 . 71 PHE CZ C 127.5 0.5 1 781 . 71 PHE HZ H 6.79 0.02 1 782 . 71 PHE CE2 C 130.0 0.5 1 783 . 71 PHE CD2 C 132.1 0.5 1 784 . 72 THR N N 111.7 0.5 1 785 . 72 THR H H 9.32 0.02 1 786 . 72 THR CA C 60.6 0.5 1 787 . 72 THR HA H 4.76 0.02 1 788 . 72 THR CB C 69.4 0.5 1 789 . 72 THR HB H 4.47 0.02 1 790 . 72 THR HG2 H 1.30 0.02 1 791 . 72 THR CG2 C 23.0 0.5 1 792 . 73 TRP N N 124.2 0.5 1 793 . 73 TRP H H 7.74 0.02 1 794 . 73 TRP CA C 53.0 0.5 1 795 . 73 TRP HA H 6.19 0.02 1 796 . 73 TRP CB C 31.9 0.5 1 797 . 73 TRP HB2 H 3.00 0.02 1 798 . 73 TRP HB3 H 3.29 0.02 1 799 . 73 TRP CD1 C 124.2 0.5 1 800 . 73 TRP CE3 C 122.4 0.5 1 801 . 73 TRP NE1 N 125.6 0.5 1 802 . 73 TRP HD1 H 7.44 0.02 1 803 . 73 TRP HE3 H 6.86 0.02 1 804 . 73 TRP CZ3 C 120.2 0.5 1 805 . 73 TRP CZ2 C 112.9 0.5 1 806 . 73 TRP HE1 H 9.68 0.02 1 807 . 73 TRP HZ3 H 7.13 0.02 1 808 . 73 TRP CH2 C 124.0 0.5 1 809 . 73 TRP HZ2 H 7.32 0.02 1 810 . 73 TRP HH2 H 7.11 0.02 1 811 . 74 ASP N N 126.3 0.5 1 812 . 74 ASP H H 8.67 0.02 1 813 . 74 ASP CA C 55.0 0.5 1 814 . 74 ASP HA H 4.65 0.02 1 815 . 74 ASP CB C 42.6 0.5 1 816 . 74 ASP HB2 H 2.50 0.02 2 817 . 74 ASP HB3 H 3.21 0.02 2 818 . 75 THR N N 110.7 0.5 1 819 . 75 THR H H 9.98 0.02 1 820 . 75 THR CA C 62.2 0.5 1 821 . 75 THR HA H 4.57 0.02 1 822 . 75 THR CB C 68.7 0.5 1 823 . 75 THR HB H 4.63 0.02 1 824 . 75 THR HG2 H 1.09 0.02 1 825 . 75 THR CG2 C 21.0 0.5 1 826 . 76 ASP N N 121.4 0.5 1 827 . 76 ASP H H 8.16 0.02 1 828 . 76 ASP CA C 54.1 0.5 1 829 . 76 ASP HA H 4.92 0.02 1 830 . 76 ASP CB C 42.2 0.5 1 831 . 76 ASP HB2 H 2.03 0.02 1 832 . 76 ASP HB3 H 2.48 0.02 1 833 . 77 GLY N N 107.2 0.5 1 834 . 77 GLY H H 7.74 0.02 1 835 . 77 GLY CA C 44.9 0.5 1 836 . 77 GLY HA2 H 4.62 0.02 1 837 . 77 GLY HA3 H 3.46 0.02 1 838 . 78 TRP N N 120.1 0.5 1 839 . 78 TRP H H 8.24 0.02 1 840 . 78 TRP CA C 55.6 0.5 1 841 . 78 TRP HA H 5.34 0.02 1 842 . 78 TRP CB C 29.9 0.5 1 843 . 78 TRP HB2 H 2.65 0.02 1 844 . 78 TRP HB3 H 2.65 0.02 1 845 . 78 TRP CD1 C 123.1 0.5 1 846 . 78 TRP CE3 C 120.0 0.5 1 847 . 78 TRP NE1 N 126.1 0.5 1 848 . 78 TRP HD1 H 6.15 0.02 1 849 . 78 TRP HE3 H 6.26 0.02 1 850 . 78 TRP CZ3 C 120.3 0.5 1 851 . 78 TRP CZ2 C 114.1 0.5 1 852 . 78 TRP HE1 H 7.38 0.02 1 853 . 78 TRP HZ3 H 5.65 0.02 1 854 . 78 TRP CH2 C 123.2 0.5 1 855 . 78 TRP HZ2 H 6.93 0.02 1 856 . 78 TRP HH2 H 6.59 0.02 1 857 . 79 SER N N 116.0 0.5 1 858 . 79 SER H H 8.11 0.02 1 859 . 79 SER CA C 57.3 0.5 1 860 . 79 SER HA H 4.99 0.02 1 861 . 79 SER CB C 65.6 0.5 1 862 . 79 SER HB2 H 3.55 0.02 2 863 . 79 SER HB3 H 3.59 0.02 2 864 . 80 VAL N N 125.6 0.5 1 865 . 80 VAL H H 8.98 0.02 1 866 . 80 VAL CA C 60.3 0.5 1 867 . 80 VAL HA H 4.59 0.02 1 868 . 80 VAL CB C 33.3 0.5 1 869 . 80 VAL HB H 0.21 0.02 1 870 . 80 VAL HG1 H 0.14 0.02 1 871 . 80 VAL HG2 H 0.61 0.02 1 872 . 80 VAL CG1 C 22.5 0.5 1 873 . 80 VAL CG2 C 22.1 0.5 1 874 . 81 THR N N 120.3 0.5 1 875 . 81 THR H H 8.52 0.02 1 876 . 81 THR CA C 61.2 0.5 1 877 . 81 THR HA H 4.77 0.02 1 878 . 81 THR CB C 71.7 0.5 1 879 . 81 THR HB H 3.56 0.02 1 880 . 81 THR HG2 H 0.58 0.02 1 881 . 81 THR CG2 C 20.9 0.5 1 882 . 82 PHE N N 125.1 0.5 1 883 . 82 PHE H H 9.30 0.02 1 884 . 82 PHE CA C 52.1 0.5 1 885 . 82 PHE HA H 5.46 0.02 1 886 . 82 PHE CB C 40.0 0.5 1 887 . 82 PHE HB2 H 3.15 0.02 1 888 . 82 PHE HB3 H 3.15 0.02 1 889 . 82 PHE HD1 H 7.12 0.02 1 890 . 82 PHE HD2 H 7.12 0.02 1 891 . 82 PHE HE1 H 7.49 0.02 1 892 . 82 PHE HE2 H 7.49 0.02 1 893 . 82 PHE CD1 C 130.2 0.5 1 894 . 82 PHE CE1 C 131.0 0.5 1 895 . 82 PHE CZ C 127.8 0.5 1 896 . 82 PHE HZ H 7.00 0.02 1 897 . 82 PHE CE2 C 131.0 0.5 1 898 . 82 PHE CD2 C 130.2 0.5 1 899 . 83 HIS N N 120.1 0.5 1 900 . 83 HIS H H 9.12 0.02 1 901 . 83 HIS CA C 54.4 0.5 1 902 . 83 HIS HA H 5.47 0.02 1 903 . 83 HIS CB C 32.8 0.5 1 904 . 83 HIS HB2 H 2.87 0.02 1 905 . 83 HIS HB3 H 3.03 0.02 1 906 . 83 HIS CD2 C 119.4 0.5 1 907 . 83 HIS CE1 C 136.1 0.5 1 908 . 83 HIS HD2 H 6.53 0.02 1 909 . 83 HIS HE1 H 8.11 0.02 1 910 . 84 LEU N N 123.1 0.5 1 911 . 84 LEU H H 8.92 0.02 1 912 . 84 LEU CA C 55.6 0.5 1 913 . 84 LEU HA H 5.53 0.02 1 914 . 84 LEU CB C 44.4 0.5 1 915 . 84 LEU HB2 H 1.66 0.02 1 916 . 84 LEU HB3 H 2.47 0.02 1 917 . 84 LEU CG C 31.1 0.5 1 918 . 84 LEU HG H 2.06 0.02 1 919 . 84 LEU HD1 H 1.13 0.02 1 920 . 84 LEU HD2 H 1.30 0.02 1 921 . 84 LEU CD1 C 24.2 0.5 1 922 . 84 LEU CD2 C 28.9 0.5 1 923 . 85 LYS N N 120.2 0.5 1 924 . 85 LYS H H 8.64 0.02 1 925 . 85 LYS CA C 54.8 0.5 1 926 . 85 LYS HA H 4.64 0.02 1 927 . 85 LYS CB C 36.4 0.5 1 928 . 85 LYS HB2 H 1.72 0.02 1 929 . 85 LYS HB3 H 1.77 0.02 1 930 . 85 LYS CG C 24.6 0.5 1 931 . 85 LYS HG2 H 1.38 0.02 1 932 . 85 LYS HG3 H 1.38 0.02 1 933 . 85 LYS CD C 29.3 0.5 1 934 . 85 LYS HD2 H 1.68 0.02 1 935 . 85 LYS HD3 H 1.68 0.02 1 936 . 85 LYS CE C 42.2 0.5 1 937 . 85 LYS HE2 H 2.93 0.02 1 938 . 85 LYS HE3 H 2.93 0.02 1 939 . 86 GLU N N 127.5 0.5 1 940 . 86 GLU H H 9.07 0.02 1 941 . 86 GLU CA C 56.9 0.5 1 942 . 86 GLU HA H 4.62 0.02 1 943 . 86 GLU CB C 30.9 0.5 1 944 . 86 GLU HB2 H 1.99 0.02 2 945 . 86 GLU HB3 H 2.10 0.02 2 946 . 86 GLU CG C 37.4 0.5 1 947 . 86 GLU HG2 H 2.28 0.02 2 948 . 86 GLU HG3 H 2.44 0.02 2 949 . 87 GLU N N 124.7 0.5 1 950 . 87 GLU H H 8.35 0.02 1 951 . 87 GLU CA C 55.7 0.5 1 952 . 87 GLU HA H 4.57 0.02 1 953 . 87 GLU CB C 32.6 0.5 1 954 . 87 GLU HB2 H 1.82 0.02 1 955 . 87 GLU HB3 H 1.96 0.02 1 956 . 87 GLU CG C 36.4 0.5 1 957 . 87 GLU HG2 H 2.09 0.02 2 958 . 87 GLU HG3 H 2.12 0.02 2 959 . 88 GLU N N 124.0 0.5 1 960 . 88 GLU H H 9.16 0.02 1 961 . 88 GLU CA C 58.7 0.5 1 962 . 88 GLU HA H 3.90 0.02 1 963 . 88 GLU CB C 28.3 0.5 1 964 . 88 GLU HB2 H 2.02 0.02 2 965 . 88 GLU HB3 H 2.06 0.02 2 966 . 88 GLU CG C 36.3 0.5 1 967 . 88 GLU HG2 H 2.23 0.02 2 968 . 88 GLU HG3 H 2.28 0.02 2 969 . 89 ASN N N 115.4 0.5 1 970 . 89 ASN H H 8.58 0.02 1 971 . 89 ASN CA C 53.4 0.5 1 972 . 89 ASN HA H 4.72 0.02 1 973 . 89 ASN CB C 38.2 0.5 1 974 . 89 ASN HB2 H 2.86 0.02 2 975 . 89 ASN HB3 H 2.94 0.02 2 976 . 89 ASN ND2 N 113.0 0.5 1 977 . 89 ASN HD21 H 7.59 0.02 1 978 . 89 ASN HD22 H 6.88 0.02 1 979 . 90 GLY N N 107.8 0.5 1 980 . 90 GLY H H 7.78 0.02 1 981 . 90 GLY CA C 45.1 0.5 1 982 . 90 GLY HA2 H 4.47 0.02 1 983 . 90 GLY HA3 H 4.26 0.02 1 984 . 91 THR N N 117.5 0.5 1 985 . 91 THR H H 8.92 0.02 1 986 . 91 THR CA C 62.8 0.5 1 987 . 91 THR HA H 5.08 0.02 1 988 . 91 THR CB C 72.8 0.5 1 989 . 91 THR HB H 3.85 0.02 1 990 . 91 THR HG2 H 1.20 0.02 1 991 . 91 THR HG1 H 5.21 0.02 1 992 . 91 THR CG2 C 21.0 0.5 1 993 . 92 ILE N N 126.9 0.5 1 994 . 92 ILE H H 9.62 0.02 1 995 . 92 ILE CA C 60.1 0.5 1 996 . 92 ILE HA H 4.55 0.02 1 997 . 92 ILE CB C 37.7 0.5 1 998 . 92 ILE HB H 1.82 0.02 1 999 . 92 ILE HG2 H 0.72 0.02 1 1000 . 92 ILE CG2 C 17.2 0.5 1 1001 . 92 ILE CG1 C 27.5 0.5 1 1002 . 92 ILE HG12 H 1.03 0.02 1 1003 . 92 ILE HG13 H 1.45 0.02 1 1004 . 92 ILE HD1 H 0.73 0.02 1 1005 . 92 ILE CD1 C 12.2 0.5 1 1006 . 93 PHE N N 133.2 0.5 1 1007 . 93 PHE H H 9.38 0.02 1 1008 . 93 PHE CA C 56.1 0.5 1 1009 . 93 PHE HA H 5.38 0.02 1 1010 . 93 PHE CB C 43.7 0.5 1 1011 . 93 PHE HB2 H 2.56 0.02 2 1012 . 93 PHE HB3 H 2.70 0.02 2 1013 . 93 PHE HD1 H 6.89 0.02 1 1014 . 93 PHE HD2 H 6.89 0.02 1 1015 . 93 PHE HE1 H 6.74 0.02 1 1016 . 93 PHE HE2 H 6.74 0.02 1 1017 . 93 PHE CD1 C 130.2 0.5 1 1018 . 93 PHE CE1 C 130.2 0.5 1 1019 . 93 PHE CZ C 128.4 0.5 1 1020 . 93 PHE HZ H 6.13 0.02 1 1021 . 93 PHE CE2 C 130.2 0.5 1 1022 . 93 PHE CD2 C 130.2 0.5 1 1023 . 94 THR N N 123.5 0.5 1 1024 . 94 THR H H 8.74 0.02 1 1025 . 94 THR CA C 60.2 0.5 1 1026 . 94 THR HA H 5.30 0.02 1 1027 . 94 THR CB C 70.7 0.5 1 1028 . 94 THR HB H 3.74 0.02 1 1029 . 94 THR HG2 H 1.05 0.02 1 1030 . 94 THR CG2 C 21.0 0.5 1 1031 . 95 ILE N N 121.8 0.5 1 1032 . 95 ILE H H 8.65 0.02 1 1033 . 95 ILE CA C 56.5 0.5 1 1034 . 95 ILE HA H 5.26 0.02 1 1035 . 95 ILE CB C 38.2 0.5 1 1036 . 95 ILE HB H 1.73 0.02 1 1037 . 95 ILE HG2 H 0.79 0.02 1 1038 . 95 ILE CG2 C 17.2 0.5 1 1039 . 95 ILE CG1 C 27.1 0.5 1 1040 . 95 ILE HG12 H 0.85 0.02 1 1041 . 95 ILE HG13 H 0.99 0.02 1 1042 . 95 ILE HD1 H -0.52 0.02 1 1043 . 95 ILE CD1 C 10.5 0.5 1 1044 . 96 VAL N N 122.9 0.5 1 1045 . 96 VAL H H 8.75 0.02 1 1046 . 96 VAL CA C 60.7 0.5 1 1047 . 96 VAL HA H 5.03 0.02 1 1048 . 96 VAL CB C 34.8 0.5 1 1049 . 96 VAL HB H 1.87 0.02 1 1050 . 96 VAL HG1 H 0.90 0.02 1 1051 . 96 VAL HG2 H 0.88 0.02 1 1052 . 96 VAL CG1 C 20.8 0.5 1 1053 . 96 VAL CG2 C 21.6 0.5 1 1054 . 97 HIS N N 132.2 0.5 1 1055 . 97 HIS H H 9.70 0.02 1 1056 . 97 HIS CA C 53.1 0.5 1 1057 . 97 HIS HA H 5.72 0.02 1 1058 . 97 HIS CB C 32.8 0.5 1 1059 . 97 HIS HB2 H 2.69 0.02 1 1060 . 97 HIS HB3 H 3.37 0.02 1 1061 . 97 HIS CD2 C 114.2 0.5 1 1062 . 97 HIS CE1 C 136.2 0.5 1 1063 . 97 HIS HD2 H 7.12 0.02 1 1064 . 97 HIS HE1 H 8.13 0.02 1 1065 . 98 SER N N 123.8 0.5 1 1066 . 98 SER H H 9.51 0.02 1 1067 . 98 SER CA C 56.0 0.5 1 1068 . 98 SER HA H 5.30 0.02 1 1069 . 98 SER CB C 65.9 0.5 1 1070 . 98 SER HB2 H 3.57 0.02 1 1071 . 98 SER HB3 H 4.05 0.02 1 1072 . 99 GLY N N 106.2 0.5 1 1073 . 99 GLY H H 8.50 0.02 1 1074 . 99 GLY CA C 45.7 0.5 1 1075 . 99 GLY HA2 H 4.61 0.02 1 1076 . 99 GLY HA3 H 3.71 0.02 1 1077 . 100 TRP N N 121.1 0.5 1 1078 . 100 TRP H H 8.08 0.02 1 1079 . 100 TRP CA C 57.4 0.5 1 1080 . 100 TRP HA H 4.30 0.02 1 1081 . 100 TRP CB C 30.6 0.5 1 1082 . 100 TRP HB2 H 3.13 0.02 1 1083 . 100 TRP HB3 H 3.41 0.02 1 1084 . 100 TRP CD1 C 127.6 0.5 1 1085 . 100 TRP CE3 C 119.7 0.5 1 1086 . 100 TRP NE1 N 126.8 0.5 1 1087 . 100 TRP HD1 H 7.67 0.02 1 1088 . 100 TRP HE3 H 7.09 0.02 1 1089 . 100 TRP CZ3 C 120.7 0.5 1 1090 . 100 TRP CZ2 C 114.1 0.5 1 1091 . 100 TRP HE1 H 7.82 0.02 1 1092 . 100 TRP HZ3 H 7.20 0.02 1 1093 . 100 TRP CH2 C 123.6 0.5 1 1094 . 100 TRP HZ2 H 5.61 0.02 1 1095 . 100 TRP HH2 H 6.63 0.02 1 1096 . 101 LYS N N 121.5 0.5 1 1097 . 101 LYS H H 8.94 0.02 1 1098 . 101 LYS CA C 55.2 0.5 1 1099 . 101 LYS HA H 4.62 0.02 1 1100 . 101 LYS CB C 33.3 0.5 1 1101 . 101 LYS HB2 H 1.91 0.02 1 1102 . 101 LYS HB3 H 2.15 0.02 1 1103 . 101 LYS CG C 25.3 0.5 1 1104 . 101 LYS HG2 H 1.52 0.02 2 1105 . 101 LYS HG3 H 1.67 0.02 2 1106 . 101 LYS CD C 29.2 0.5 1 1107 . 101 LYS HD2 H 1.70 0.02 2 1108 . 101 LYS HD3 H 1.75 0.02 2 1109 . 101 LYS CE C 42.2 0.5 1 1110 . 101 LYS HE2 H 3.04 0.02 1 1111 . 101 LYS HE3 H 3.04 0.02 1 1112 . 102 GLN N N 117.4 0.5 1 1113 . 102 GLN H H 8.11 0.02 1 1114 . 102 GLN CA C 56.5 0.5 1 1115 . 102 GLN HA H 4.48 0.02 1 1116 . 102 GLN CB C 29.7 0.5 1 1117 . 102 GLN HB2 H 2.16 0.02 1 1118 . 102 GLN HB3 H 2.16 0.02 1 1119 . 102 GLN CG C 34.2 0.5 1 1120 . 102 GLN HG2 H 2.48 0.02 1 1121 . 102 GLN HG3 H 2.48 0.02 1 1122 . 102 GLN NE2 N 113.5 0.5 1 1123 . 102 GLN HE21 H 8.03 0.02 2 1124 . 102 GLN HE22 H 6.88 0.02 2 1125 . 103 GLY N N 108.8 0.5 1 1126 . 103 GLY H H 8.92 0.02 1 1127 . 103 GLY CA C 47.3 0.5 1 1128 . 103 GLY HA2 H 4.10 0.02 2 1129 . 103 GLY HA3 H 3.74 0.02 2 1130 . 104 ASP N N 115.6 0.5 1 1131 . 104 ASP H H 8.35 0.02 1 1132 . 104 ASP CA C 53.4 0.5 1 1133 . 104 ASP HA H 4.72 0.02 1 1134 . 104 ASP CB C 40.0 0.5 1 1135 . 104 ASP HB2 H 2.62 0.02 1 1136 . 104 ASP HB3 H 2.89 0.02 1 1137 . 105 THR N N 114.8 0.5 1 1138 . 105 THR H H 7.83 0.02 1 1139 . 105 THR CA C 62.4 0.5 1 1140 . 105 THR HA H 4.31 0.02 1 1141 . 105 THR CB C 69.6 0.5 1 1142 . 105 THR HB H 4.28 0.02 1 1143 . 105 THR HG2 H 1.34 0.02 1 1144 . 105 THR CG2 C 22.3 0.5 1 1145 . 106 LYS N N 127.7 0.5 1 1146 . 106 LYS H H 9.12 0.02 1 1147 . 106 LYS CA C 57.5 0.5 1 1148 . 106 LYS HA H 4.18 0.02 1 1149 . 106 LYS CB C 32.8 0.5 1 1150 . 106 LYS HB2 H 1.64 0.02 2 1151 . 106 LYS HB3 H 1.78 0.02 2 1152 . 106 LYS CG C 25.1 0.5 1 1153 . 106 LYS HG2 H 1.21 0.02 2 1154 . 106 LYS HG3 H 1.33 0.02 2 1155 . 106 LYS CD C 28.9 0.5 1 1156 . 106 LYS HD2 H 1.58 0.02 1 1157 . 106 LYS HD3 H 1.58 0.02 1 1158 . 106 LYS CE C 41.8 0.5 1 1159 . 106 LYS HE2 H 2.89 0.02 1 1160 . 106 LYS HE3 H 2.89 0.02 1 1161 . 107 VAL N N 124.2 0.5 1 1162 . 107 VAL H H 8.35 0.02 1 1163 . 107 VAL CA C 61.6 0.5 1 1164 . 107 VAL HA H 4.05 0.02 1 1165 . 107 VAL HB H 2.15 0.02 1 1166 . 107 VAL HG1 H 0.66 0.02 1 1167 . 107 VAL HG2 H 1.04 0.02 1 1168 . 107 VAL CG1 C 21.7 0.5 1 1169 . 107 VAL CG2 C 21.0 0.5 1 1170 . 108 GLU N N 128.0 0.5 1 1171 . 108 GLU H H 8.74 0.02 1 1172 . 108 GLU CA C 59.7 0.5 1 1173 . 108 GLU HA H 3.85 0.02 1 1174 . 108 GLU CB C 29.2 0.5 1 1175 . 108 GLU HB2 H 1.95 0.02 1 1176 . 108 GLU HB3 H 1.95 0.02 1 1177 . 108 GLU CG C 36.0 0.5 1 1178 . 108 GLU HG2 H 2.20 0.02 2 1179 . 108 GLU HG3 H 2.23 0.02 2 1180 . 109 LYS N N 117.0 0.5 1 1181 . 109 LYS H H 8.81 0.02 1 1182 . 109 LYS CA C 58.2 0.5 1 1183 . 109 LYS HA H 4.03 0.02 1 1184 . 109 LYS CB C 32.3 0.5 1 1185 . 109 LYS HB2 H 1.51 0.02 1 1186 . 109 LYS HB3 H 1.81 0.02 1 1187 . 109 LYS CG C 25.6 0.5 1 1188 . 109 LYS HG2 H 1.38 0.02 2 1189 . 109 LYS HG3 H 1.47 0.02 2 1190 . 109 LYS CD C 29.1 0.5 1 1191 . 109 LYS HD2 H 1.64 0.02 2 1192 . 109 LYS HD3 H 1.67 0.02 2 1193 . 109 LYS CE C 41.9 0.5 1 1194 . 109 LYS HE2 H 2.97 0.02 1 1195 . 109 LYS HE3 H 2.97 0.02 1 1196 . 110 ALA N N 117.4 0.5 1 1197 . 110 ALA H H 7.13 0.02 1 1198 . 110 ALA CA C 51.6 0.5 1 1199 . 110 ALA HA H 4.13 0.02 1 1200 . 110 ALA HB H 1.10 0.02 1 1201 . 110 ALA CB C 19.7 0.5 1 1202 . 111 GLY N N 106.7 0.5 1 1203 . 111 GLY H H 7.89 0.02 1 1204 . 111 GLY CA C 46.2 0.5 1 1205 . 111 GLY HA2 H 3.81 0.02 1 1206 . 111 GLY HA3 H 3.92 0.02 1 1207 . 112 ALA N N 117.9 0.5 1 1208 . 112 ALA H H 7.20 0.02 1 1209 . 112 ALA CA C 50.6 0.5 1 1210 . 112 ALA HA H 4.67 0.02 1 1211 . 112 ALA HB H 1.28 0.02 1 1212 . 112 ALA CB C 22.1 0.5 1 1213 . 113 GLU N N 119.0 0.5 1 1214 . 113 GLU H H 8.96 0.02 1 1215 . 113 GLU CA C 56.9 0.5 1 1216 . 113 GLU HA H 4.34 0.02 1 1217 . 113 GLU CB C 30.1 0.5 1 1218 . 113 GLU HB2 H 2.11 0.02 1 1219 . 113 GLU HB3 H 2.47 0.02 1 1220 . 113 GLU CG C 37.0 0.5 1 1221 . 113 GLU HG2 H 2.37 0.02 1 1222 . 113 GLU HG3 H 2.37 0.02 1 1223 . 114 SER N N 119.5 0.5 1 1224 . 114 SER H H 9.11 0.02 1 1225 . 114 SER CA C 63.7 0.5 1 1226 . 114 SER HA H 4.31 0.02 1 1227 . 114 SER CB C 63.6 0.5 1 1228 . 114 SER HB2 H 3.97 0.02 2 1229 . 114 SER HB3 H 4.39 0.02 2 1230 . 115 ALA N N 121.5 0.5 1 1231 . 115 ALA H H 9.46 0.02 1 1232 . 115 ALA CA C 55.7 0.5 1 1233 . 115 ALA HA H 3.94 0.02 1 1234 . 115 ALA HB H 1.44 0.02 1 1235 . 115 ALA CB C 18.4 0.5 1 1236 . 116 VAL N N 118.1 0.5 1 1237 . 116 VAL H H 7.19 0.02 1 1238 . 116 VAL CA C 65.1 0.5 1 1239 . 116 VAL HA H 3.91 0.02 1 1240 . 116 VAL CB C 32.3 0.5 1 1241 . 116 VAL HB H 2.35 0.02 1 1242 . 116 VAL HG1 H 1.01 0.02 1 1243 . 116 VAL HG2 H 1.13 0.02 1 1244 . 116 VAL CG1 C 20.4 0.5 1 1245 . 116 VAL CG2 C 22.1 0.5 1 1246 . 117 VAL N N 121.1 0.5 1 1247 . 117 VAL H H 7.86 0.02 1 1248 . 117 VAL CA C 66.5 0.5 1 1249 . 117 VAL HA H 3.65 0.02 1 1250 . 117 VAL CB C 32.4 0.5 1 1251 . 117 VAL HB H 2.40 0.02 1 1252 . 117 VAL HG1 H 1.05 0.02 2 1253 . 117 VAL HG2 H 1.41 0.02 2 1254 . 117 VAL CG1 C 23.4 0.5 2 1255 . 117 VAL CG2 C 22.2 0.5 2 1256 . 118 HIS N N 120.5 0.5 1 1257 . 118 HIS H H 9.09 0.02 1 1258 . 118 HIS CA C 60.5 0.5 1 1259 . 118 HIS HA H 3.04 0.02 1 1260 . 118 HIS CB C 30.5 0.5 1 1261 . 118 HIS HB2 H 2.17 0.02 1 1262 . 118 HIS HB3 H 2.65 0.02 1 1263 . 118 HIS CD2 C 119.4 0.5 1 1264 . 118 HIS CE1 C 136.3 0.5 1 1265 . 118 HIS HD2 H 7.21 0.02 1 1266 . 118 HIS HE1 H 8.24 0.02 1 1267 . 119 GLU N N 118.8 0.5 1 1268 . 119 GLU H H 7.45 0.02 1 1269 . 119 GLU CA C 59.7 0.5 1 1270 . 119 GLU HA H 4.13 0.02 1 1271 . 119 GLU CB C 29.3 0.5 1 1272 . 119 GLU HB2 H 2.24 0.02 1 1273 . 119 GLU HB3 H 2.24 0.02 1 1274 . 119 GLU CG C 35.9 0.5 1 1275 . 119 GLU HG2 H 2.35 0.02 2 1276 . 119 GLU HG3 H 2.48 0.02 2 1277 . 120 ARG N N 117.9 0.5 1 1278 . 120 ARG H H 7.83 0.02 1 1279 . 120 ARG CA C 59.1 0.5 1 1280 . 120 ARG HA H 4.13 0.02 1 1281 . 120 ARG CB C 30.1 0.5 1 1282 . 120 ARG HB2 H 2.06 0.02 2 1283 . 120 ARG HB3 H 2.09 0.02 2 1284 . 120 ARG CG C 27.1 0.5 1 1285 . 120 ARG HG2 H 1.78 0.02 2 1286 . 120 ARG HG3 H 1.95 0.02 2 1287 . 120 ARG CD C 44.0 0.5 1 1288 . 120 ARG HD2 H 3.22 0.02 2 1289 . 120 ARG HD3 H 3.29 0.02 2 1290 . 121 MET N N 118.9 0.5 1 1291 . 121 MET H H 8.90 0.02 1 1292 . 121 MET CA C 57.4 0.5 1 1293 . 121 MET HA H 4.47 0.02 1 1294 . 121 MET CB C 31.2 0.5 1 1295 . 121 MET HB2 H 2.08 0.02 2 1296 . 121 MET HB3 H 2.13 0.02 2 1297 . 121 MET CG C 33.2 0.5 1 1298 . 121 MET HG2 H 2.71 0.02 2 1299 . 121 MET HG3 H 2.85 0.02 2 1300 . 121 MET HE H 1.92 0.02 1 1301 . 121 MET CE C 17.1 0.5 1 1302 . 122 ASP N N 124.3 0.5 1 1303 . 122 ASP H H 8.69 0.02 1 1304 . 122 ASP CA C 58.2 0.5 1 1305 . 122 ASP HA H 4.44 0.02 1 1306 . 122 ASP CB C 41.6 0.5 1 1307 . 122 ASP HB2 H 2.44 0.02 1 1308 . 122 ASP HB3 H 2.91 0.02 1 1309 . 123 ARG N N 116.0 0.5 1 1310 . 123 ARG H H 7.26 0.02 1 1311 . 123 ARG CA C 58.6 0.5 1 1312 . 123 ARG HA H 4.25 0.02 1 1313 . 123 ARG CB C 30.2 0.5 1 1314 . 123 ARG HB2 H 1.99 0.02 1 1315 . 123 ARG HB3 H 1.99 0.02 1 1316 . 123 ARG CG C 27.4 0.5 1 1317 . 123 ARG HG2 H 1.81 0.02 2 1318 . 123 ARG HG3 H 1.85 0.02 2 1319 . 123 ARG CD C 43.1 0.5 1 1320 . 123 ARG HD2 H 3.29 0.02 1 1321 . 123 ARG HD3 H 3.29 0.02 1 1322 . 124 GLY N N 107.5 0.5 1 1323 . 124 GLY H H 8.66 0.02 1 1324 . 124 GLY CA C 47.5 0.5 1 1325 . 124 GLY HA2 H 3.98 0.02 2 1326 . 124 GLY HA3 H 4.06 0.02 2 1327 . 125 TRP N N 121.1 0.5 1 1328 . 125 TRP H H 9.58 0.02 1 1329 . 125 TRP CA C 61.0 0.5 1 1330 . 125 TRP HA H 4.97 0.02 1 1331 . 125 TRP CB C 30.6 0.5 1 1332 . 125 TRP HB2 H 3.27 0.02 1 1333 . 125 TRP HB3 H 3.52 0.02 1 1334 . 125 TRP CD1 C 126.8 0.5 1 1335 . 125 TRP CE3 C 120.3 0.5 1 1336 . 125 TRP HD1 H 7.29 0.02 1 1337 . 125 TRP HE3 H 7.99 0.02 1 1338 . 125 TRP CZ3 C 120.4 0.5 1 1339 . 125 TRP CZ2 C 113.6 0.5 1 1340 . 125 TRP HZ3 H 7.16 0.02 1 1341 . 125 TRP CH2 C 124.9 0.5 1 1342 . 125 TRP HZ2 H 7.49 0.02 1 1343 . 125 TRP HH2 H 6.75 0.02 1 1344 . 126 HIS N N 115.9 0.5 1 1345 . 126 HIS H H 7.75 0.02 1 1346 . 126 HIS CA C 61.4 0.5 1 1347 . 126 HIS HA H 4.11 0.02 1 1348 . 126 HIS CB C 30.9 0.5 1 1349 . 126 HIS HB2 H 3.18 0.02 2 1350 . 126 HIS HB3 H 3.71 0.02 2 1351 . 126 HIS CD2 C 119.7 0.5 1 1352 . 126 HIS CE1 C 136.4 0.5 1 1353 . 126 HIS HD2 H 7.32 0.02 1 1354 . 126 HIS HE1 H 8.27 0.02 1 1355 . 127 ASP N N 119.3 0.5 1 1356 . 127 ASP H H 8.04 0.02 1 1357 . 127 ASP CA C 57.7 0.5 1 1358 . 127 ASP HA H 4.54 0.02 1 1359 . 127 ASP CB C 40.6 0.5 1 1360 . 127 ASP HB2 H 2.93 0.02 1 1361 . 127 ASP HB3 H 2.93 0.02 1 1362 . 128 LEU N N 120.3 0.5 1 1363 . 128 LEU H H 9.05 0.02 1 1364 . 128 LEU CA C 58.9 0.5 1 1365 . 128 LEU HA H 4.36 0.02 1 1366 . 128 LEU CB C 42.4 0.5 1 1367 . 128 LEU HB2 H 2.14 0.02 1 1368 . 128 LEU HB3 H 2.57 0.02 1 1369 . 128 LEU CG C 27.2 0.5 1 1370 . 128 LEU HG H 2.16 0.02 1 1371 . 128 LEU HD1 H 0.77 0.02 1 1372 . 128 LEU HD2 H 1.30 0.02 1 1373 . 128 LEU CD1 C 25.4 0.5 1 1374 . 128 LEU CD2 C 23.8 0.5 1 1375 . 129 VAL N N 111.4 0.5 1 1376 . 129 VAL H H 8.24 0.02 1 1377 . 129 VAL CA C 64.2 0.5 1 1378 . 129 VAL HA H 4.08 0.02 1 1379 . 129 VAL CB C 32.2 0.5 1 1380 . 129 VAL HB H 2.21 0.02 1 1381 . 129 VAL HG1 H 1.14 0.02 1 1382 . 129 VAL HG2 H 1.32 0.02 1 1383 . 129 VAL CG1 C 23.1 0.5 1 1384 . 129 VAL CG2 C 21.0 0.5 1 1385 . 130 ASN N N 113.9 0.5 1 1386 . 130 ASN H H 8.40 0.02 1 1387 . 130 ASN CA C 55.9 0.5 1 1388 . 130 ASN HA H 4.49 0.02 1 1389 . 130 ASN CB C 40.0 0.5 1 1390 . 130 ASN HB2 H 2.44 0.02 1 1391 . 130 ASN HB3 H 2.56 0.02 1 1392 . 130 ASN ND2 N 115.7 0.5 1 1393 . 130 ASN HD21 H 7.57 0.02 2 1394 . 130 ASN HD22 H 7.12 0.02 2 1395 . 131 GLU N N 113.9 0.5 1 1396 . 131 GLU H H 8.02 0.02 1 1397 . 131 GLU CA C 57.3 0.5 1 1398 . 131 GLU HA H 4.78 0.02 1 1399 . 131 GLU CB C 30.7 0.5 1 1400 . 131 GLU HB2 H 2.27 0.02 1 1401 . 131 GLU HB3 H 2.27 0.02 1 1402 . 131 GLU CG C 35.5 0.5 1 1403 . 131 GLU HG2 H 2.20 0.02 2 1404 . 131 GLU HG3 H 2.36 0.02 2 1405 . 132 ARG N N 118.3 0.5 1 1406 . 132 ARG H H 7.59 0.02 1 1407 . 132 ARG CA C 60.2 0.5 1 1408 . 132 ARG HA H 4.25 0.02 1 1409 . 132 ARG CB C 30.0 0.5 1 1410 . 132 ARG HB2 H 2.32 0.02 1 1411 . 132 ARG HB3 H 2.82 0.02 1 1412 . 132 ARG CG C 27.3 0.5 1 1413 . 132 ARG HG2 H 1.89 0.02 2 1414 . 132 ARG HG3 H 2.05 0.02 2 1415 . 132 ARG CD C 43.2 0.5 1 1416 . 132 ARG HD2 H 3.41 0.02 1 1417 . 132 ARG HD3 H 3.41 0.02 1 1418 . 132 ARG NE N 83.6 0.5 1 1419 . 132 ARG HE H 7.37 0.02 1 1420 . 133 LEU N N 121.1 0.5 1 1421 . 133 LEU H H 9.07 0.02 1 1422 . 133 LEU CA C 57.1 0.5 1 1423 . 133 LEU HA H 3.44 0.02 1 1424 . 133 LEU CB C 39.5 0.5 1 1425 . 133 LEU HB2 H 0.16 0.02 1 1426 . 133 LEU HB3 H 1.65 0.02 1 1427 . 133 LEU CG C 25.3 0.5 1 1428 . 133 LEU HG H 0.28 0.02 1 1429 . 133 LEU HD1 H -0.93 0.02 1 1430 . 133 LEU HD2 H -0.81 0.02 1 1431 . 133 LEU CD1 C 25.3 0.5 1 1432 . 133 LEU CD2 C 20.3 0.5 1 1433 . 134 ARG N N 115.3 0.5 1 1434 . 134 ARG H H 6.11 0.02 1 1435 . 134 ARG CA C 59.7 0.5 1 1436 . 134 ARG HA H 3.04 0.02 1 1437 . 134 ARG CB C 30.8 0.5 1 1438 . 134 ARG HB2 H 1.52 0.02 1 1439 . 134 ARG HB3 H 1.81 0.02 1 1440 . 134 ARG CG C 27.5 0.5 1 1441 . 134 ARG HG2 H 1.42 0.02 2 1442 . 134 ARG HG3 H 1.57 0.02 2 1443 . 134 ARG CD C 42.8 0.5 1 1444 . 134 ARG HD2 H 3.24 0.02 2 1445 . 134 ARG HD3 H 3.54 0.02 2 1446 . 134 ARG NE N 80.8 0.5 1 1447 . 134 ARG HE H 7.32 0.02 1 1448 . 135 GLN N N 113.2 0.5 1 1449 . 135 GLN H H 7.28 0.02 1 1450 . 135 GLN CA C 58.2 0.5 1 1451 . 135 GLN HA H 3.95 0.02 1 1452 . 135 GLN CB C 28.4 0.5 1 1453 . 135 GLN HB2 H 2.12 0.02 1 1454 . 135 GLN HB3 H 2.21 0.02 1 1455 . 135 GLN CG C 33.7 0.5 1 1456 . 135 GLN HG2 H 2.45 0.02 2 1457 . 135 GLN HG3 H 2.53 0.02 2 1458 . 135 GLN NE2 N 110.9 0.5 1 1459 . 135 GLN HE21 H 7.50 0.02 2 1460 . 135 GLN HE22 H 6.82 0.02 2 1461 . 136 ILE N N 113.3 0.5 1 1462 . 136 ILE H H 7.04 0.02 1 1463 . 136 ILE CA C 61.5 0.5 1 1464 . 136 ILE HA H 3.95 0.02 1 1465 . 136 ILE CB C 37.3 0.5 1 1466 . 136 ILE HB H 1.82 0.02 1 1467 . 136 ILE HG2 H 0.73 0.02 1 1468 . 136 ILE CG2 C 17.6 0.5 1 1469 . 136 ILE CG1 C 27.6 0.5 1 1470 . 136 ILE HG12 H 1.26 0.02 1 1471 . 136 ILE HG13 H 1.40 0.02 1 1472 . 136 ILE HD1 H 0.73 0.02 1 1473 . 136 ILE CD1 C 12.8 0.5 1 1474 . 137 VAL N N 110.7 0.5 1 1475 . 137 VAL H H 7.17 0.02 1 1476 . 137 VAL CA C 62.4 0.5 1 1477 . 137 VAL HA H 3.98 0.02 1 1478 . 137 VAL CB C 31.4 0.5 1 1479 . 137 VAL HB H 1.48 0.02 1 1480 . 137 VAL HG1 H -0.12 0.02 1 1481 . 137 VAL HG2 H 0.29 0.02 1 1482 . 137 VAL CG1 C 18.1 0.5 1 1483 . 137 VAL CG2 C 22.5 0.5 1 1484 . 138 GLU N N 118.3 0.5 1 1485 . 138 GLU H H 7.92 0.02 1 1486 . 138 GLU CA C 56.5 0.5 1 1487 . 138 GLU HA H 4.34 0.02 1 1488 . 138 GLU CB C 29.8 0.5 1 1489 . 138 GLU HB2 H 1.94 0.02 1 1490 . 138 GLU HB3 H 2.11 0.02 1 1491 . 138 GLU CG C 38.2 0.5 1 1492 . 138 GLU HG2 H 2.05 0.02 2 1493 . 138 GLU HG3 H 2.33 0.02 2 stop_ save_