data_7000 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the conserved hypothetical protein Rv2302 from the bacterium Mycobacterium tuberculosis ; _BMRB_accession_number 7000 _BMRB_flat_file_name bmr7000.str _Entry_type original _Submission_date 2006-02-23 _Accession_date 2006-02-24 _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 Buchko Garry W. . 2 Kim Chang Y. . 3 Terwilliger Thomas C. . 4 Kennedy Michael A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 366 "13C chemical shifts" 292 "15N chemical shifts" 74 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-09-06 update author 'update the residue sequence' 2006-08-30 update author 'update the citation' 2006-03-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the conserved hypothetical protein Rv2302 from the bacterium Mycobacterium tuberculosis' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16885468 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Buchko Garry W. . 2 Kim Chang Y. . 3 Terwilliger Thomas C. . 4 Kennedy Michael A. . stop_ _Journal_abbreviation 'J. Bacteriol.' _Journal_volume 188 _Journal_issue 16 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5993 _Page_last 6001 _Year 2006 _Details . loop_ _Keyword 'circular dichroism' 'structural genomics' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Rv2302 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Rv2302 $Rv2302 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function unknown stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Rv2302 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rv2302 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 83 _Mol_residue_sequence ; GSHMHAKVGDYLVVKGTTTE RHDQHAEIIEVRSADGSPPY VVRWLVNGHETTVYPGSDAV VVTATEHAEAEKRAAARAGH AAT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 SER 3 -1 HIS 4 1 MET 5 2 HIS 6 3 ALA 7 4 LYS 8 5 VAL 9 6 GLY 10 7 ASP 11 8 TYR 12 9 LEU 13 10 VAL 14 11 VAL 15 12 LYS 16 13 GLY 17 14 THR 18 15 THR 19 16 THR 20 17 GLU 21 18 ARG 22 19 HIS 23 20 ASP 24 21 GLN 25 22 HIS 26 23 ALA 27 24 GLU 28 25 ILE 29 26 ILE 30 27 GLU 31 28 VAL 32 29 ARG 33 30 SER 34 31 ALA 35 32 ASP 36 33 GLY 37 34 SER 38 35 PRO 39 36 PRO 40 37 TYR 41 38 VAL 42 39 VAL 43 40 ARG 44 41 TRP 45 42 LEU 46 43 VAL 47 44 ASN 48 45 GLY 49 46 HIS 50 47 GLU 51 48 THR 52 49 THR 53 50 VAL 54 51 TYR 55 52 PRO 56 53 GLY 57 54 SER 58 55 ASP 59 56 ALA 60 57 VAL 61 58 VAL 62 59 VAL 63 60 THR 64 61 ALA 65 62 THR 66 63 GLU 67 64 HIS 68 65 ALA 69 66 GLU 70 67 ALA 71 68 GLU 72 69 LYS 73 70 ARG 74 71 ALA 75 72 ALA 76 73 ALA 77 74 ARG 78 75 ALA 79 76 GLY 80 77 HIS 81 78 ALA 82 79 ALA 83 80 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-21 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 2A7Y "Solution Structure Of The Conserved Hypothetical Protein Rv2302 From The Bacterium Mycobacterium Tuberculosis" 100.00 83 100.00 100.00 6.74e-51 DBJ BAH26596 "hypothetical protein JTY_2312 [Mycobacterium bovis BCG str. Tokyo 172]" 96.39 80 100.00 100.00 1.60e-48 DBJ BAL66308 "hypothetical protein ERDMAN_2517 [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" 96.39 80 100.00 100.00 1.60e-48 DBJ BAQ06374 "hypothetical protein KURONO_2580 [Mycobacterium tuberculosis str. Kurono]" 96.39 80 100.00 100.00 1.60e-48 DBJ GAA45983 "hypothetical protein NCGM2209_2612 [Mycobacterium tuberculosis NCGM2209]" 96.39 80 100.00 100.00 1.60e-48 EMBL CAD97185 "CONSERVED HYPOTHETICAL PROTEIN [Mycobacterium bovis AF2122/97]" 96.39 80 100.00 100.00 1.60e-48 EMBL CAL72306 "Conserved hypothetical protein [Mycobacterium bovis BCG str. Pasteur 1173P2]" 96.39 80 100.00 100.00 1.60e-48 EMBL CCC27379 "conserved hypothetical protein [Mycobacterium africanum GM041182]" 96.39 80 100.00 100.00 1.60e-48 EMBL CCC44660 "conserved hypothetical protein [Mycobacterium canettii CIPT 140010059]" 96.39 80 98.75 100.00 3.54e-48 EMBL CCC64895 "conserved hypothetical protein [Mycobacterium bovis BCG str. Moreau RDJ]" 96.39 80 100.00 100.00 1.60e-48 GB AAK46644 "conserved hypothetical protein [Mycobacterium tuberculosis CDC1551]" 96.39 80 100.00 100.00 1.60e-48 GB ABQ74085 "hypothetical protein MRA_2318A [Mycobacterium tuberculosis H37Ra]" 96.39 80 100.00 100.00 1.60e-48 GB ABR06654 "conserved hypothetical protein [Mycobacterium tuberculosis F11]" 96.39 80 100.00 100.00 1.60e-48 GB ACT24737 "conserved hypothetical protein [Mycobacterium tuberculosis KZN 1435]" 96.39 80 100.00 100.00 1.60e-48 GB AEB03820 "conserved hypothetical protein [Mycobacterium tuberculosis KZN 4207]" 96.39 80 100.00 100.00 1.60e-48 REF NP_216818 "hypothetical protein Rv2302 [Mycobacterium tuberculosis H37Rv]" 96.39 80 100.00 100.00 1.60e-48 REF NP_336830 "hypothetical protein MT2359 [Mycobacterium tuberculosis CDC1551]" 96.39 80 100.00 100.00 1.60e-48 REF NP_855973 "hypothetical protein Mb2324 [Mycobacterium bovis AF2122/97]" 96.39 80 100.00 100.00 1.60e-48 REF WP_003411866 "MULTISPECIES: hypothetical protein [Mycobacterium tuberculosis complex]" 96.39 80 100.00 100.00 1.60e-48 REF WP_014001212 "hypothetical protein [Mycobacterium canettii]" 96.39 80 98.75 100.00 3.54e-48 SP P64984 "RecName: Full=Uncharacterized protein Mb2324 [Mycobacterium bovis AF2122/97]" 96.39 80 100.00 100.00 1.60e-48 SP P9WLD4 "RecName: Full=Uncharacterized protein MT2359 [Mycobacterium tuberculosis CDC1551]" 96.39 80 100.00 100.00 1.60e-48 SP P9WLD5 "RecName: Full=Uncharacterized protein Rv2302 [Mycobacterium tuberculosis H37Rv]" 96.39 80 100.00 100.00 1.60e-48 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Rv2302 'Mycobacterium tuberculosis' 1773 Bacteria . Mycobacterium tuberculosis 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 $Rv2302 'recombinant technology' 'Escherichia coli' . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Rv2302 2 mM 1 2 '[U-13C; U-15N]' KCl 100 mM 98 102 none 'potassium phosphate' 20 mM 19 21 none dithiothreitol 2 mM 1.5 2.5 none stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_(example)_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC_(example) _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_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_CC-TOCSY_NNH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CC-TOCSY_NNH _Sample_label $sample_1 save_ save_4D_CC-NOESY-HMQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '4D CC-NOESY-HMQC' _Sample_label $sample_1 save_ save_N15edited_NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'N15edited NOESY-HSQC' _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 7.1 0.2 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 Rv2302 _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 4 MET H H 8.18 0.02 1 2 1 4 MET HA H 4.36 0.02 1 3 1 4 MET HB2 H 1.90 0.02 1 4 1 4 MET HB3 H 1.90 0.02 1 5 1 4 MET HG2 H 2.49 0.02 2 6 1 4 MET HG3 H 2.54 0.02 2 7 1 4 MET C C 174.0 0.2 1 8 1 4 MET CA C 55.5 0.2 1 9 1 4 MET CB C 34.2 0.2 1 10 1 4 MET CG C 32.3 0.2 1 11 1 4 MET N N 122.8 0.2 1 12 2 5 HIS H H 8.14 0.02 1 13 2 5 HIS HA H 4.69 0.02 1 14 2 5 HIS HB2 H 3.04 0.02 2 15 2 5 HIS HB3 H 2.97 0.02 2 16 2 5 HIS C C 173.1 0.2 1 17 2 5 HIS CA C 55.4 0.2 1 18 2 5 HIS CB C 32.3 0.2 1 19 2 5 HIS N N 121.1 0.2 1 20 3 6 ALA H H 8.28 0.02 1 21 3 6 ALA HA H 4.47 0.02 1 22 3 6 ALA HB H 0.76 0.02 1 23 3 6 ALA C C 174.9 0.2 1 24 3 6 ALA CA C 50.8 0.2 1 25 3 6 ALA CB C 24.8 0.2 1 26 3 6 ALA N N 125.4 0.2 1 27 4 7 LYS H H 8.40 0.02 1 28 4 7 LYS HA H 4.47 0.02 1 29 4 7 LYS HB2 H 1.68 0.02 1 30 4 7 LYS HB3 H 1.68 0.02 1 31 4 7 LYS HG2 H 1.29 0.02 2 32 4 7 LYS HG3 H 1.47 0.02 2 33 4 7 LYS HD2 H 1.66 0.02 1 34 4 7 LYS HD3 H 1.66 0.02 1 35 4 7 LYS HE2 H 3.04 0.02 1 36 4 7 LYS HE3 H 3.04 0.02 1 37 4 7 LYS C C 175.6 0.2 1 38 4 7 LYS CA C 53.5 0.2 1 39 4 7 LYS CB C 34.4 0.2 1 40 4 7 LYS CG C 24.1 0.2 1 41 4 7 LYS CD C 29.1 0.2 1 42 4 7 LYS CE C 42.9 0.2 1 43 4 7 LYS N N 118.0 0.2 1 44 5 8 VAL H H 8.10 0.02 1 45 5 8 VAL HA H 3.07 0.02 1 46 5 8 VAL HB H 1.80 0.02 1 47 5 8 VAL HG1 H 0.87 0.02 1 48 5 8 VAL HG2 H 0.91 0.02 1 49 5 8 VAL C C 177.3 0.2 1 50 5 8 VAL CA C 65.7 0.2 1 51 5 8 VAL CB C 31.6 0.2 1 52 5 8 VAL CG1 C 21.6 0.2 1 53 5 8 VAL CG2 C 23.5 0.2 1 54 5 8 VAL N N 119.5 0.2 1 55 6 9 GLY H H 8.82 0.02 1 56 6 9 GLY HA2 H 4.29 0.02 2 57 6 9 GLY HA3 H 3.53 0.02 2 58 6 9 GLY C C 174.0 0.2 1 59 6 9 GLY CA C 44.8 0.2 1 60 6 9 GLY N N 118.5 0.2 1 61 7 10 ASP H H 7.43 0.02 1 62 7 10 ASP HA H 4.59 0.02 1 63 7 10 ASP HB2 H 2.66 0.02 1 64 7 10 ASP HB3 H 2.66 0.02 1 65 7 10 ASP C C 172.6 0.2 1 66 7 10 ASP CA C 54.8 0.2 1 67 7 10 ASP CB C 41.6 0.2 1 68 7 10 ASP N N 117.2 0.2 1 69 8 11 TYR H H 8.66 0.02 1 70 8 11 TYR HA H 4.97 0.02 1 71 8 11 TYR HB2 H 2.31 0.02 2 72 8 11 TYR HB3 H 2.05 0.02 2 73 8 11 TYR HD1 H 6.79 0.02 1 74 8 11 TYR HD2 H 6.79 0.02 1 75 8 11 TYR HE1 H 6.72 0.02 1 76 8 11 TYR HE2 H 6.72 0.02 1 77 8 11 TYR C C 174.0 0.2 1 78 8 11 TYR CA C 57.2 0.2 1 79 8 11 TYR CB C 41.9 0.2 1 80 8 11 TYR CD1 C 132.3 0.2 1 81 8 11 TYR CD2 C 132.3 0.2 1 82 8 11 TYR CE1 C 117.7 0.2 1 83 8 11 TYR CE2 C 117.7 0.2 1 84 8 11 TYR N N 113.7 0.2 1 85 9 12 LEU H H 9.14 0.02 1 86 9 12 LEU HA H 4.82 0.02 1 87 9 12 LEU HB2 H 1.44 0.02 2 88 9 12 LEU HB3 H 0.74 0.02 2 89 9 12 LEU HG H 0.70 0.02 1 90 9 12 LEU HD1 H 0.64 0.02 2 91 9 12 LEU HD2 H 1.33 0.02 2 92 9 12 LEU C C 174.7 0.2 1 93 9 12 LEU CA C 52.9 0.2 1 94 9 12 LEU CB C 45.4 0.2 1 95 9 12 LEU CG C 25.4 0.2 1 96 9 12 LEU CD1 C 27.3 0.2 1 97 9 12 LEU CD2 C 27.3 0.2 1 98 9 12 LEU N N 123.0 0.2 1 99 10 13 VAL H H 9.03 0.02 1 100 10 13 VAL HA H 4.67 0.02 1 101 10 13 VAL HB H 1.29 0.02 1 102 10 13 VAL HG1 H 0.26 0.02 1 103 10 13 VAL HG2 H 0.21 0.02 1 104 10 13 VAL C C 175.9 0.2 1 105 10 13 VAL CA C 61.0 0.2 1 106 10 13 VAL CB C 33.5 0.2 1 107 10 13 VAL CG1 C 20.5 0.2 1 108 10 13 VAL CG2 C 20.8 0.2 1 109 10 13 VAL N N 125.9 0.2 1 110 11 14 VAL H H 9.36 0.02 1 111 11 14 VAL HA H 4.36 0.02 1 112 11 14 VAL HB H 1.90 0.02 1 113 11 14 VAL HG1 H 0.99 0.02 2 114 11 14 VAL HG2 H 0.99 0.02 2 115 11 14 VAL C C 176.8 0.2 1 116 11 14 VAL CA C 61.6 0.2 1 117 11 14 VAL CB C 32.9 0.2 1 118 11 14 VAL CG1 C 22.0 0.2 1 119 11 14 VAL CG2 C 22.0 0.2 1 120 11 14 VAL N N 127.2 0.2 1 121 12 15 LYS H H 8.75 0.02 1 122 12 15 LYS N N 129.5 0.02 1 123 19 22 HIS HA H 5.15 0.02 1 124 19 22 HIS HB2 H 3.19 0.02 2 125 19 22 HIS HB3 H 2.84 0.02 2 126 19 22 HIS C C 176.3 0.2 1 127 19 22 HIS CA C 54.8 0.2 1 128 19 22 HIS CB C 32.3 0.2 1 129 20 23 ASP H H 10.07 0.02 1 130 20 23 ASP HA H 4.80 0.02 1 131 20 23 ASP HB2 H 2.59 0.02 1 132 20 23 ASP HB3 H 2.59 0.02 1 133 20 23 ASP C C 174.5 0.2 1 134 20 23 ASP CA C 55.4 0.2 1 135 20 23 ASP CB C 41.6 0.2 1 136 20 23 ASP N N 126.9 0.2 1 137 21 24 GLN H H 8.19 0.02 1 138 21 24 GLN HA H 4.89 0.02 1 139 21 24 GLN HB2 H 2.59 0.02 2 140 21 24 GLN HB3 H 2.10 0.02 2 141 21 24 GLN HG2 H 1.40 0.02 2 142 21 24 GLN HG3 H 1.40 0.02 2 143 21 24 GLN C C 174.5 0.2 1 144 21 24 GLN CA C 54.1 0.2 1 145 21 24 GLN CB C 31.0 0.2 1 146 21 24 GLN N N 117.7 0.2 1 147 22 25 HIS H H 11.11 0.02 1 148 22 25 HIS HA H 5.86 0.02 1 149 22 25 HIS HB2 H 3.22 0.02 2 150 22 25 HIS HB3 H 3.07 0.02 2 151 22 25 HIS C C 173.8 0.2 1 152 22 25 HIS CA C 54.9 0.2 1 153 22 25 HIS CB C 37.3 0.2 1 154 22 25 HIS N N 121.1 0.2 1 155 23 26 ALA H H 8.77 0.02 1 156 23 26 ALA HA H 4.59 0.02 1 157 23 26 ALA HB H -0.38 0.02 1 158 23 26 ALA C C 175.6 0.2 1 159 23 26 ALA CA C 50.4 0.2 1 160 23 26 ALA CB C 22.3 0.2 1 161 23 26 ALA N N 119.6 0.2 1 162 24 27 GLU H H 8.38 0.02 1 163 24 27 GLU HA H 3.83 0.02 1 164 24 27 GLU HB2 H 1.67 0.02 2 165 24 27 GLU HB3 H 1.55 0.02 2 166 24 27 GLU C C 175.9 0.2 1 167 24 27 GLU CA C 54.8 0.2 1 168 24 27 GLU CB C 31.6 0.2 1 169 24 27 GLU CG C 35.4 0.2 1 170 24 27 GLU N N 122.8 0.2 1 171 25 28 ILE H H 9.01 0.02 1 172 25 28 ILE HA H 3.77 0.02 1 173 25 28 ILE HB H 1.46 0.02 1 174 25 28 ILE HG12 H 1.13 0.02 2 175 25 28 ILE HG13 H 0.24 0.02 2 176 25 28 ILE HG2 H 0.24 0.02 1 177 25 28 ILE HD1 H -0.04 0.02 1 178 25 28 ILE C C 176.1 0.2 1 179 25 28 ILE CA C 63.5 0.2 1 180 25 28 ILE CB C 36.6 0.2 1 181 25 28 ILE CG1 C 28.5 0.2 1 182 25 28 ILE CG2 C 17.7 0.2 1 183 25 28 ILE CD1 C 13.9 0.2 1 184 25 28 ILE N N 127.2 0.2 1 185 26 29 ILE H H 8.97 0.02 1 186 26 29 ILE HA H 4.46 0.02 1 187 26 29 ILE HB H 1.90 0.02 1 188 26 29 ILE HG2 H 0.78 0.02 1 189 26 29 ILE HD1 H 0.68 0.02 1 190 26 29 ILE C C 175.9 0.2 1 191 26 29 ILE CA C 61.6 0.2 1 192 26 29 ILE CB C 39.1 0.2 1 193 26 29 ILE CG1 C 26.6 0.2 1 194 26 29 ILE CG2 C 17.7 0.2 1 195 26 29 ILE CD1 C 13.6 0.2 1 196 26 29 ILE N N 125.1 0.2 1 197 27 30 GLU H H 7.74 0.02 1 198 27 30 GLU HA H 4.33 0.02 1 199 27 30 GLU HB2 H 1.88 0.02 1 200 27 30 GLU HB3 H 1.88 0.02 1 201 27 30 GLU HG2 H 2.18 0.02 2 202 27 30 GLU HG3 H 2.00 0.02 2 203 27 30 GLU C C 174.2 0.2 1 204 27 30 GLU CA C 57.3 0.2 1 205 27 30 GLU CB C 33.3 0.2 1 206 27 30 GLU CG C 36.6 0.2 1 207 27 30 GLU N N 121.1 0.2 1 208 28 31 VAL H H 8.70 0.02 1 209 28 31 VAL HA H 4.34 0.02 1 210 28 31 VAL HB H 2.05 0.02 1 211 28 31 VAL HG1 H 1.06 0.02 1 212 28 31 VAL HG2 H 0.56 0.02 1 213 28 31 VAL C C 175.4 0.2 1 214 28 31 VAL CA C 62.3 0.2 1 215 28 31 VAL CB C 33.5 0.2 1 216 28 31 VAL CG1 C 21.7 0.2 1 217 28 31 VAL CG2 C 21.0 0.2 1 218 28 31 VAL N N 126.4 0.2 1 219 29 32 ARG H H 8.59 0.02 1 220 29 32 ARG HA H 4.42 0.02 1 221 29 32 ARG HB2 H 1.87 0.02 2 222 29 32 ARG HB3 H 1.67 0.02 2 223 29 32 ARG HG2 H 1.49 0.02 1 224 29 32 ARG HG3 H 1.49 0.02 1 225 29 32 ARG HD2 H 3.04 0.02 1 226 29 32 ARG HD3 H 3.04 0.02 1 227 29 32 ARG C C 176.1 0.2 1 228 29 32 ARG CA C 57.3 0.2 1 229 29 32 ARG CB C 29.8 0.2 1 230 29 32 ARG CG C 27.3 0.2 1 231 29 32 ARG CD C 43.5 0.2 1 232 29 32 ARG N N 126.5 0.2 1 233 30 33 SER H H 7.80 0.02 1 234 30 33 SER HA H 4.48 0.02 1 235 30 33 SER HB2 H 3.95 0.02 2 236 30 33 SER HB3 H 3.80 0.02 2 237 30 33 SER C C 173.5 0.2 1 238 30 33 SER CA C 59.6 0.2 1 239 30 33 SER CB C 64.8 0.2 1 240 30 33 SER N N 114.2 0.2 1 241 31 34 ALA H H 7.85 0.02 1 242 31 34 ALA HA H 4.36 0.02 1 243 31 34 ALA HB H 1.47 0.02 1 244 31 34 ALA C C 178.2 0.2 1 245 31 34 ALA CA C 54.1 0.2 1 246 31 34 ALA CB C 19.2 0.2 1 247 31 34 ALA N N 121.4 0.2 1 248 32 35 ASP H H 8.00 0.02 1 249 32 35 ASP HA H 4.72 0.02 1 250 32 35 ASP HB2 H 3.09 0.02 2 251 32 35 ASP HB3 H 2.56 0.02 2 252 32 35 ASP C C 177.5 0.2 1 253 32 35 ASP CA C 52.9 0.2 1 254 32 35 ASP CB C 41.0 0.2 1 255 32 35 ASP N N 114.9 0.2 1 256 33 36 GLY H H 7.88 0.02 1 257 33 36 GLY HA2 H 4.34 0.02 2 258 33 36 GLY HA3 H 3.88 0.02 2 259 33 36 GLY C C 174.2 0.2 1 260 33 36 GLY CA C 46.0 0.2 1 261 33 36 GLY N N 107.3 0.2 1 262 34 37 SER H H 8.06 0.02 1 263 34 37 SER HA H 4.85 0.02 1 264 34 37 SER HB2 H 3.93 0.02 1 265 34 37 SER HB3 H 3.93 0.02 1 266 34 37 SER CA C 58.5 0.2 1 267 34 37 SER CB C 61.4 0.2 1 268 34 37 SER N N 120.5 0.2 1 269 35 38 PRO HA H 3.00 0.02 1 270 35 38 PRO HB2 H 1.32 0.02 2 271 35 38 PRO HB3 H 0.98 0.02 2 272 35 38 PRO HG2 H 1.74 0.02 2 273 35 38 PRO HG3 H 1.49 0.02 2 274 35 38 PRO HD2 H 3.76 0.02 2 275 35 38 PRO HD3 H 3.27 0.02 2 276 35 38 PRO CA C 61.4 0.2 1 277 35 38 PRO CB C 30.1 0.2 1 278 35 38 PRO CG C 27.5 0.2 1 279 35 38 PRO CD C 50.1 0.2 1 280 36 39 PRO HA H 4.00 0.02 1 281 36 39 PRO HB2 H 1.39 0.02 1 282 36 39 PRO HB3 H 1.39 0.02 1 283 36 39 PRO HG2 H 1.70 0.02 1 284 36 39 PRO HG3 H 1.70 0.02 1 285 36 39 PRO HD2 H 3.42 0.02 1 286 36 39 PRO HD3 H 3.42 0.02 1 287 36 39 PRO C C 174.7 0.2 1 288 36 39 PRO CA C 61.6 0.2 1 289 36 39 PRO CB C 36.0 0.2 1 290 36 39 PRO CG C 24.1 0.2 1 291 36 39 PRO CD C 50.4 0.2 1 292 37 40 TYR H H 8.06 0.02 1 293 37 40 TYR HA H 5.43 0.02 1 294 37 40 TYR HB2 H 3.01 0.02 2 295 37 40 TYR HB3 H 2.26 0.02 2 296 37 40 TYR HD1 H 6.62 0.02 1 297 37 40 TYR HD2 H 6.62 0.02 1 298 37 40 TYR HE1 H 6.38 0.02 1 299 37 40 TYR HE2 H 6.38 0.02 1 300 37 40 TYR C C 175.2 0.2 1 301 37 40 TYR CA C 53.2 0.2 1 302 37 40 TYR CB C 41.6 0.2 1 303 37 40 TYR CD1 C 131.0 0.2 1 304 37 40 TYR CD2 C 131.0 0.2 1 305 37 40 TYR CE1 C 118.2 0.2 1 306 37 40 TYR CE2 C 118.2 0.2 1 307 37 40 TYR N N 118.0 0.2 1 308 38 41 VAL H H 8.48 0.02 1 309 38 41 VAL HA H 4.82 0.02 1 310 38 41 VAL HB H 1.77 0.02 1 311 38 41 VAL HG1 H 0.86 0.02 2 312 38 41 VAL HG2 H 0.76 0.02 2 313 38 41 VAL C C 176.1 0.2 1 314 38 41 VAL CA C 62.3 0.2 1 315 38 41 VAL CB C 31.6 0.2 1 316 38 41 VAL CG1 C 21.0 0.2 1 317 38 41 VAL CG2 C 21.0 0.2 1 318 38 41 VAL N N 123.2 0.2 1 319 39 42 VAL H H 9.11 0.02 1 320 39 42 VAL HA H 5.18 0.02 1 321 39 42 VAL HB H 1.22 0.02 1 322 39 42 VAL HG1 H 0.43 0.02 2 323 39 42 VAL HG2 H 0.00 0.02 2 324 39 42 VAL C C 172.4 0.2 1 325 39 42 VAL CA C 57.4 0.2 1 326 39 42 VAL CB C 33.5 0.2 1 327 39 42 VAL CG1 C 22.0 0.2 2 328 39 42 VAL CG2 C 17.8 0.2 2 329 39 42 VAL N N 121.3 0.2 1 330 40 43 ARG H H 8.93 0.02 1 331 40 43 ARG HA H 4.85 0.02 1 332 40 43 ARG HB2 H 1.67 0.02 2 333 40 43 ARG HB3 H 1.34 0.02 2 334 40 43 ARG HG2 H 1.24 0.02 1 335 40 43 ARG HG3 H 1.24 0.02 1 336 40 43 ARG HD2 H 3.22 0.02 1 337 40 43 ARG HD3 H 3.22 0.02 1 338 40 43 ARG HH11 H 6.91 0.02 1 339 40 43 ARG HH12 H 6.91 0.02 1 340 40 43 ARG HH21 H 6.54 0.02 1 341 40 43 ARG HH22 H 6.54 0.02 1 342 40 43 ARG C C 175.4 0.2 1 343 40 43 ARG CA C 53.8 0.2 1 344 40 43 ARG CB C 32.9 0.2 1 345 40 43 ARG CG C 27.3 0.2 1 346 40 43 ARG CD C 42.9 0.2 1 347 40 43 ARG N N 121.3 0.2 1 348 40 43 ARG NE N 87.1 0.2 1 349 40 43 ARG NH1 N 99.0 0.2 1 350 40 43 ARG NH2 N 99.0 0.2 1 351 41 44 TRP H H 8.37 0.02 1 352 41 44 TRP HA H 4.04 0.02 1 353 41 44 TRP HB2 H 3.95 0.02 2 354 41 44 TRP HB3 H 2.87 0.02 2 355 41 44 TRP HD1 H 6.18 0.02 1 356 41 44 TRP HE1 H 10.07 0.02 1 357 41 44 TRP HE3 H 7.74 0.02 1 358 41 44 TRP HZ2 H 6.75 0.02 1 359 41 44 TRP HZ3 H 6.52 0.02 1 360 41 44 TRP HH2 H 6.62 0.02 1 361 41 44 TRP C C 178.5 0.2 1 362 41 44 TRP CA C 59.1 0.2 1 363 41 44 TRP CB C 27.9 0.2 1 364 41 44 TRP CE3 C 122.2 0.2 1 365 41 44 TRP CZ2 C 112.9 0.2 1 366 41 44 TRP CZ3 C 119.6 0.2 1 367 41 44 TRP CH2 C 122.6 0.2 1 368 41 44 TRP N N 132.5 0.2 1 369 41 44 TRP NE1 N 131.2 0.2 1 370 42 45 LEU H H 8.36 0.02 1 371 42 45 LEU HA H 4.14 0.02 1 372 42 45 LEU HB2 H 1.85 0.02 2 373 42 45 LEU HB3 H 1.52 0.02 2 374 42 45 LEU HG H 1.80 0.02 1 375 42 45 LEU HD1 H 0.98 0.02 1 376 42 45 LEU HD2 H 0.72 0.02 1 377 42 45 LEU C C 178.7 0.2 1 378 42 45 LEU CA C 59.1 0.2 1 379 42 45 LEU CB C 42.3 0.2 1 380 42 45 LEU CG C 28.5 0.2 1 381 42 45 LEU CD1 C 23.3 0.2 1 382 42 45 LEU CD2 C 25.3 0.2 1 383 42 45 LEU N N 124.0 0.2 1 384 43 46 VAL H H 11.54 0.02 1 385 43 46 VAL HA H 3.81 0.02 1 386 43 46 VAL HB H 2.05 0.02 1 387 43 46 VAL HG1 H 0.53 0.02 1 388 43 46 VAL HG2 H 0.49 0.02 1 389 43 46 VAL C C 178.7 0.2 1 390 43 46 VAL CA C 66.6 0.2 1 391 43 46 VAL CB C 30.4 0.2 1 392 43 46 VAL CG1 C 22.8 0.2 1 393 43 46 VAL CG2 C 19.7 0.2 1 394 43 46 VAL N N 124.2 0.2 1 395 44 47 ASN H H 10.96 0.02 1 396 44 47 ASN HA H 4.42 0.02 1 397 44 47 ASN HB2 H 3.42 0.02 2 398 44 47 ASN HB3 H 2.41 0.02 2 399 44 47 ASN HD21 H 9.66 0.02 2 400 44 47 ASN HD22 H 7.55 0.02 2 401 44 47 ASN C C 178.5 0.2 1 402 44 47 ASN CA C 56.0 0.2 1 403 44 47 ASN CB C 42.3 0.2 1 404 44 47 ASN N N 118.8 0.2 1 405 44 47 ASN ND2 N 119.9 0.2 1 406 45 48 GLY H H 7.84 0.02 1 407 45 48 GLY HA2 H 4.14 0.02 1 408 45 48 GLY HA3 H 4.14 0.02 1 409 45 48 GLY C C 173.5 0.2 1 410 45 48 GLY CA C 44.8 0.2 1 411 45 48 GLY N N 106.4 0.2 1 412 46 49 HIS H H 8.71 0.02 1 413 46 49 HIS HA H 4.92 0.02 1 414 46 49 HIS HB2 H 3.24 0.02 2 415 46 49 HIS HB3 H 2.98 0.02 2 416 46 49 HIS C C 173.5 0.2 1 417 46 49 HIS CA C 55.4 0.2 1 418 46 49 HIS CB C 31.6 0.2 1 419 46 49 HIS N N 119.8 0.2 1 420 47 50 GLU H H 8.26 0.02 1 421 47 50 GLU HA H 5.96 0.02 1 422 47 50 GLU HB2 H 1.80 0.02 2 423 47 50 GLU HB3 H 1.75 0.02 2 424 47 50 GLU HG2 H 2.23 0.02 2 425 47 50 GLU HG3 H 1.98 0.02 2 426 47 50 GLU C C 178.5 0.2 1 427 47 50 GLU CA C 54.1 0.2 1 428 47 50 GLU CB C 31.6 0.2 1 429 47 50 GLU CG C 36.0 0.2 1 430 47 50 GLU N N 118.5 0.2 1 431 48 51 THR H H 8.58 0.02 1 432 48 51 THR HA H 4.82 0.02 1 433 48 51 THR HB H 4.40 0.02 1 434 48 51 THR HG2 H 1.14 0.02 1 435 48 51 THR C C 172.6 0.2 1 436 48 51 THR CA C 59.8 0.2 1 437 48 51 THR CB C 72.3 0.2 1 438 48 51 THR CG2 C 22.9 0.2 1 439 48 51 THR N N 112.5 0.2 1 440 49 52 THR H H 8.44 0.02 1 441 49 52 THR HA H 5.18 0.02 1 442 49 52 THR HB H 3.96 0.02 1 443 49 52 THR HG2 H 0.91 0.02 1 444 49 52 THR C C 175.2 0.2 1 445 49 52 THR CA C 62.2 0.2 1 446 49 52 THR CB C 69.1 0.2 1 447 49 52 THR CG2 C 21.6 0.2 1 448 49 52 THR N N 116.7 0.2 1 449 50 53 VAL H H 9.34 0.02 1 450 50 53 VAL HA H 4.64 0.02 1 451 50 53 VAL HB H 1.88 0.02 1 452 50 53 VAL HG1 H 0.83 0.02 2 453 50 53 VAL HG2 H 0.83 0.02 2 454 50 53 VAL C C 174.0 0.2 1 455 50 53 VAL CA C 60.4 0.2 1 456 50 53 VAL CB C 36.0 0.2 1 457 50 53 VAL CG1 C 21.0 0.2 1 458 50 53 VAL CG2 C 21.0 0.2 1 459 50 53 VAL N N 123.2 0.2 1 460 51 54 TYR H H 8.51 0.02 1 461 51 54 TYR HA H 4.46 0.02 1 462 51 54 TYR HB2 H 3.04 0.02 2 463 51 54 TYR HB3 H 2.54 0.02 2 464 51 54 TYR HD1 H 6.95 0.02 1 465 51 54 TYR HD2 H 6.95 0.02 1 466 51 54 TYR HE1 H 6.67 0.02 1 467 51 54 TYR HE2 H 6.67 0.02 1 468 51 54 TYR CA C 55.6 0.2 1 469 51 54 TYR CB C 37.6 0.2 1 470 51 54 TYR CD1 C 132.9 0.2 1 471 51 54 TYR CD2 C 132.9 0.2 1 472 51 54 TYR CE1 C 118.0 0.2 1 473 51 54 TYR CE2 C 118.0 0.2 1 474 51 54 TYR N N 126.3 0.2 1 475 52 55 PRO HA H 4.34 0.02 1 476 52 55 PRO HB2 H 2.15 0.02 2 477 52 55 PRO HB3 H 2.00 0.02 2 478 52 55 PRO HG2 H 2.07 0.02 2 479 52 55 PRO HG3 H 1.65 0.02 2 480 52 55 PRO HD2 H 3.55 0.02 2 481 52 55 PRO HD3 H 3.38 0.02 2 482 52 55 PRO C C 176.6 0.2 1 483 52 55 PRO CA C 63.5 0.2 1 484 52 55 PRO CB C 32.9 0.2 1 485 52 55 PRO CG C 27.9 0.2 1 486 52 55 PRO CD C 50.4 0.2 1 487 53 56 GLY H H 8.88 0.02 1 488 53 56 GLY HA2 H 4.38 0.02 2 489 53 56 GLY HA3 H 3.91 0.02 2 490 53 56 GLY C C 175.2 0.2 1 491 53 56 GLY CA C 44.1 0.2 1 492 53 56 GLY N N 111.5 0.2 1 493 54 57 SER H H 8.29 0.02 1 494 54 57 SER HA H 4.29 0.02 1 495 54 57 SER HB2 H 4.01 0.02 2 496 54 57 SER HB3 H 3.91 0.02 2 497 54 57 SER C C 174.9 0.2 1 498 54 57 SER CA C 60.4 0.2 1 499 54 57 SER CB C 63.5 0.2 1 500 54 57 SER N N 114.6 0.2 1 501 55 58 ASP H H 8.75 0.02 1 502 55 58 ASP HA H 4.72 0.02 1 503 55 58 ASP HB2 H 2.79 0.02 2 504 55 58 ASP HB3 H 2.74 0.02 2 505 55 58 ASP C C 173.5 0.2 1 506 55 58 ASP CA C 54.1 0.2 1 507 55 58 ASP CB C 40.4 0.2 1 508 55 58 ASP N N 120.8 0.2 1 509 56 59 ALA H H 7.63 0.02 1 510 56 59 ALA HA H 5.46 0.02 1 511 56 59 ALA HB H 1.32 0.02 1 512 56 59 ALA C C 175.6 0.2 1 513 56 59 ALA CA C 50.4 0.2 1 514 56 59 ALA CB C 22.8 0.2 1 515 56 59 ALA N N 122.1 0.2 1 516 57 60 VAL H H 8.88 0.02 1 517 57 60 VAL HA H 4.49 0.02 1 518 57 60 VAL HB H 2.02 0.02 1 519 57 60 VAL HG1 H 0.91 0.02 2 520 57 60 VAL HG2 H 0.83 0.02 2 521 57 60 VAL C C 174.0 0.2 1 522 57 60 VAL CA C 60.4 0.2 1 523 57 60 VAL CB C 36.0 0.2 1 524 57 60 VAL CG1 C 21.3 0.2 2 525 57 60 VAL CG2 C 20.0 0.2 2 526 57 60 VAL N N 116.6 0.2 1 527 58 61 VAL H H 8.32 0.02 1 528 58 61 VAL HA H 4.89 0.02 1 529 58 61 VAL HB H 1.88 0.02 1 530 58 61 VAL HG1 H 0.81 0.02 2 531 58 61 VAL HG2 H 0.81 0.02 2 532 58 61 VAL C C 176.3 0.2 1 533 58 61 VAL CA C 61.3 0.2 1 534 58 61 VAL CB C 32.9 0.2 1 535 58 61 VAL CG1 C 21.2 0.2 2 536 58 61 VAL CG2 C 21.6 0.2 2 537 58 61 VAL N N 123.2 0.2 1 538 59 62 VAL H H 9.41 0.02 1 539 59 62 VAL HA H 4.47 0.02 1 540 59 62 VAL HB H 1.54 0.02 1 541 59 62 VAL HG1 H 0.71 0.02 1 542 59 62 VAL HG2 H 1.19 0.02 1 543 59 62 VAL C C 175.2 0.2 1 544 59 62 VAL CA C 60.4 0.2 1 545 59 62 VAL CB C 34.1 0.2 1 546 59 62 VAL CG1 C 21.0 0.2 1 547 59 62 VAL CG2 C 22.3 0.2 1 548 59 62 VAL N N 129.2 0.2 1 549 60 63 THR H H 8.64 0.02 1 550 60 63 THR HA H 4.26 0.02 1 551 60 63 THR HB H 4.54 0.02 1 552 60 63 THR HG2 H 1.44 0.02 1 553 60 63 THR C C 175.9 0.2 1 554 60 63 THR CA C 62.3 0.2 1 555 60 63 THR CB C 70.4 0.2 1 556 60 63 THR CG2 C 22.5 0.2 1 557 60 63 THR N N 118.2 0.2 1 558 61 64 ALA H H 8.80 0.02 1 559 61 64 ALA HA H 4.34 0.02 1 560 61 64 ALA HB H 1.65 0.02 1 561 61 64 ALA C C 180.6 0.2 1 562 61 64 ALA CA C 56.6 0.2 1 563 61 64 ALA CB C 19.1 0.2 1 564 61 64 ALA N N 125.3 0.2 1 565 62 65 THR H H 8.32 0.02 1 566 62 65 THR HA H 4.06 0.02 1 567 62 65 THR HB H 4.14 0.02 1 568 62 65 THR HG2 H 1.29 0.02 1 569 62 65 THR C C 176.8 0.2 1 570 62 65 THR CA C 66.0 0.2 1 571 62 65 THR CB C 69.1 0.2 1 572 62 65 THR CG2 C 22.2 0.2 1 573 62 65 THR N N 109.9 0.2 1 574 63 66 GLU H H 7.43 0.02 1 575 63 66 GLU HA H 4.11 0.02 1 576 63 66 GLU HB2 H 2.15 0.02 1 577 63 66 GLU HB3 H 2.15 0.02 1 578 63 66 GLU HG2 H 2.21 0.02 2 579 63 66 GLU HG3 H 2.31 0.02 2 580 63 66 GLU C C 179.6 0.2 1 581 63 66 GLU CA C 59.8 0.2 1 582 63 66 GLU CB C 29.1 0.2 1 583 63 66 GLU CG C 37.3 0.2 1 584 63 66 GLU N N 121.6 0.2 1 585 64 67 HIS H H 8.92 0.02 1 586 64 67 HIS HA H 4.77 0.02 1 587 64 67 HIS HB2 H 2.92 0.02 2 588 64 67 HIS HB3 H 2.79 0.02 2 589 64 67 HIS C C 177.7 0.2 1 590 64 67 HIS CA C 58.7 0.2 1 591 64 67 HIS CB C 31.6 0.2 1 592 64 67 HIS N N 123.2 0.2 1 593 65 68 ALA H H 8.15 0.02 1 594 65 68 ALA HA H 3.83 0.02 1 595 65 68 ALA HB H 1.54 0.02 1 596 65 68 ALA C C 181.5 0.2 1 597 65 68 ALA CA C 55.4 0.2 1 598 65 68 ALA CB C 17.6 0.2 1 599 65 68 ALA N N 118.5 0.2 1 600 66 69 GLU H H 8.02 0.02 1 601 66 69 GLU HA H 4.01 0.02 1 602 66 69 GLU HB2 H 2.08 0.02 2 603 66 69 GLU HB3 H 1.99 0.02 2 604 66 69 GLU HG2 H 2.37 0.02 1 605 66 69 GLU HG3 H 2.37 0.02 1 606 66 69 GLU C C 178.9 0.2 1 607 66 69 GLU CA C 59.1 0.2 1 608 66 69 GLU CB C 29.1 0.2 1 609 66 69 GLU CG C 36.0 0.2 1 610 66 69 GLU N N 118.5 0.2 1 611 67 70 ALA H H 8.25 0.02 1 612 67 70 ALA HA H 3.98 0.02 1 613 67 70 ALA HB H 1.59 0.02 1 614 67 70 ALA C C 181.3 0.2 1 615 67 70 ALA CA C 55.4 0.2 1 616 67 70 ALA CB C 18.5 0.2 1 617 67 70 ALA N N 123.5 0.2 1 618 68 71 GLU H H 8.33 0.02 1 619 68 71 GLU HA H 3.42 0.02 1 620 68 71 GLU HB2 H 1.84 0.02 2 621 68 71 GLU HB3 H 1.70 0.02 2 622 68 71 GLU HG2 H 2.23 0.02 2 623 68 71 GLU HG3 H 1.86 0.02 2 624 68 71 GLU C C 177.7 0.2 1 625 68 71 GLU CA C 60.4 0.2 1 626 68 71 GLU CB C 29.1 0.2 1 627 68 71 GLU CG C 39.1 0.2 1 628 68 71 GLU N N 121.9 0.2 1 629 69 72 LYS H H 7.45 0.02 1 630 69 72 LYS HA H 3.55 0.02 1 631 69 72 LYS HB2 H 1.87 0.02 2 632 69 72 LYS HB3 H 1.70 0.02 2 633 69 72 LYS HG2 H 1.44 0.02 1 634 69 72 LYS HG3 H 1.44 0.02 1 635 69 72 LYS HD2 H 1.50 0.02 2 636 69 72 LYS HD3 H 1.00 0.02 2 637 69 72 LYS HE2 H 2.56 0.02 2 638 69 72 LYS HE3 H 2.51 0.02 2 639 69 72 LYS C C 179.9 0.2 1 640 69 72 LYS CA C 60.4 0.2 1 641 69 72 LYS CB C 31.6 0.2 1 642 69 72 LYS CG C 29.1 0.2 1 643 69 72 LYS CD C 26.0 0.2 1 644 69 72 LYS CE C 41.6 0.2 1 645 69 72 LYS N N 118.1 0.2 1 646 70 73 ARG H H 7.80 0.02 1 647 70 73 ARG HA H 3.98 0.02 1 648 70 73 ARG HB2 H 1.86 0.02 2 649 70 73 ARG HB3 H 1.69 0.02 2 650 70 73 ARG HG2 H 1.85 0.02 2 651 70 73 ARG HG3 H 1.44 0.02 2 652 70 73 ARG HD2 H 3.27 0.02 2 653 70 73 ARG HD3 H 3.09 0.02 2 654 70 73 ARG C C 179.4 0.2 1 655 70 73 ARG CA C 59.8 0.2 1 656 70 73 ARG CB C 30.4 0.2 1 657 70 73 ARG CG C 27.9 0.2 1 658 70 73 ARG CD C 43.5 0.2 1 659 70 73 ARG N N 119.4 0.2 1 660 71 74 ALA H H 7.87 0.02 1 661 71 74 ALA HA H 3.93 0.02 1 662 71 74 ALA HB H 1.32 0.02 1 663 71 74 ALA C C 178.9 0.2 1 664 71 74 ALA CA C 55.4 0.2 1 665 71 74 ALA CB C 18.5 0.2 1 666 71 74 ALA N N 124.4 0.2 1 667 72 75 ALA H H 8.02 0.02 1 668 72 75 ALA HA H 3.48 0.02 1 669 72 75 ALA HB H 0.27 0.02 1 670 72 75 ALA C C 180.6 0.2 1 671 72 75 ALA CA C 54.8 0.2 1 672 72 75 ALA CB C 16.6 0.2 1 673 72 75 ALA N N 119.9 0.2 1 674 73 76 ALA H H 7.32 0.02 1 675 73 76 ALA HA H 4.16 0.02 1 676 73 76 ALA HB H 1.44 0.02 1 677 73 76 ALA C C 179.9 0.2 1 678 73 76 ALA CA C 54.1 0.2 1 679 73 76 ALA CB C 17.9 0.2 1 680 73 76 ALA N N 119.9 0.2 1 681 74 77 ARG H H 7.54 0.02 1 682 74 77 ARG HA H 4.22 0.02 1 683 74 77 ARG HB2 H 1.91 0.02 1 684 74 77 ARG HB3 H 1.91 0.02 1 685 74 77 ARG HD2 H 3.23 0.02 2 686 74 77 ARG HD3 H 3.11 0.02 2 687 74 77 ARG C C 177.7 0.2 1 688 74 77 ARG CA C 57.9 0.2 1 689 74 77 ARG CB C 30.4 0.2 1 690 74 77 ARG CG C 27.9 0.2 1 691 74 77 ARG CD C 43.7 0.2 1 692 74 77 ARG N N 118.2 0.2 1 693 75 78 ALA H H 7.85 0.02 1 694 75 78 ALA HA H 4.21 0.02 1 695 75 78 ALA HB H 1.55 0.02 1 696 75 78 ALA C C 177.0 0.2 1 697 75 78 ALA CA C 54.1 0.2 1 698 75 78 ALA CB C 19.1 0.2 1 699 75 78 ALA N N 121.4 0.2 1 700 76 79 GLY H H 7.66 0.02 1 701 76 79 GLY HA2 H 4.28 0.02 2 702 76 79 GLY HA3 H 4.06 0.02 2 703 76 79 GLY C C 173.8 0.02 1 704 76 79 GLY CA C 45.4 0.2 1 705 76 79 GLY N N 103.2 0.2 1 706 77 80 HIS H H 7.99 0.02 1 707 77 80 HIS HA H 4.70 0.02 1 708 77 80 HIS HB2 H 3.22 0.02 2 709 77 80 HIS HB3 H 3.12 0.02 2 710 77 80 HIS HD2 H 6.91 0.02 1 711 77 80 HIS C C 174.9 0.2 1 712 77 80 HIS CA C 55.6 0.2 1 713 77 80 HIS CB C 31.0 0.2 1 714 77 80 HIS CD2 C 119.6 0.2 1 715 77 80 HIS N N 120.0 0.2 1 716 78 81 ALA H H 8.32 0.02 1 717 78 81 ALA HA H 4.26 0.02 1 718 78 81 ALA HB H 1.29 0.02 1 719 78 81 ALA C C 177.3 0.2 1 720 78 81 ALA CA C 52.3 0.2 1 721 78 81 ALA CB C 19.1 0.2 1 722 78 81 ALA N N 126.1 0.2 1 723 79 82 ALA H H 8.17 0.02 1 724 79 82 ALA HA H 4.26 0.02 1 725 79 82 ALA HB H 1.31 0.02 1 726 79 82 ALA C C 178.0 0.2 1 727 79 82 ALA CA C 52.9 0.2 1 728 79 82 ALA CB C 19.1 0.2 1 729 79 82 ALA N N 123.8 0.2 1 730 80 83 THR H H 8.07 0.02 1 731 80 83 THR CA C 62.5 0.2 1 732 80 83 THR CB C 69.5 0.2 1 stop_ save_