data_4385 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Rapid Fold and Sructure Determination of the Archaeal Translation Elongation Factor 1beta from Methanobacterium thermoautotrophicum ; _BMRB_accession_number 4385 _BMRB_flat_file_name bmr4385.str _Entry_type original _Submission_date 1999-09-01 _Accession_date 1999-09-03 _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 Kozlov Guennadi . . 2 Ekiel Irena . . 3 Beglova Natalia . . 4 Yee Adelinda . . 5 Dharamsi Akil . . 6 Engel Asaph . . 7 Siddiqui Nadeem . . 8 Nong Andrew . . 9 Gehring Kalle . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 451 "13C chemical shifts" 340 "15N chemical shifts" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-12-07 original author . stop_ _Original_release_date 2000-12-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Kozlov, G., Ekiel, I., Beglova, N., Yee, A., Dharamsi, A., Engel, A., Siddiqui, N., Nong, A., and Gehring, K., "Rapid Fold and Sructure Determination of the Archaeal Translation Elongation Factor 1beta from Methanobacterium thermoautotrophicum," J. Biomol. NMR 17, 187-194 (2000). ; _Citation_title ; Rapid Fold and Sructure Determination of the Archaeal Translation Elongation Factor 1beta from Methanobacterium thermoautotrophicum ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20414184 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kozlov Guennadi . . 2 Ekiel Irena . . 3 Beglova Natalia . . 4 Yee Adelinda . . 5 Dharamsi Akil . . 6 Engel Asaph . . 7 Siddiqui Nadeem . . 8 Nong Andrew . . 9 Gehring Kalle . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 17 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 187 _Page_last 194 _Year 2000 _Details . loop_ _Keyword 'guanine nucleotide exchange factor' MT1699 stop_ save_ ################################## # Molecular system description # ################################## save_system_aEF-1beta _Saveframe_category molecular_system _Mol_system_name 'elongation factor-1beta' _Abbreviation_common aEF-1beta _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'elongation factor-1beta' $aEF-1beta stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomeric _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'elongation factor' 'guanine nucleotide exchange factor' stop_ _Database_query_date . _Details ; The protein was expressed with a N-terminal his-tag and a linker (sequence MGSSHHHHHHSSGLVPRGSH). Assignments for these extra amino acids are not deposited. ; save_ ######################## # Monomeric polymers # ######################## save_aEF-1beta _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'elongation factor-1beta' _Abbreviation_common aEF-1beta _Molecular_mass 9550 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 109 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MGDVVATIKVMPESPDVDLE ALKKEIQERIPEGTELHKID EEPIAFGLVALNVMVVVGDA EGGTEAAEESLSGIEGVSNI EVTDVRRLM ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . MET 2 . GLY 3 . SER 4 . SER 5 . HIS 6 . HIS 7 . HIS 8 . HIS 9 . HIS 10 . HIS 11 . SER 12 . SER 13 . GLY 14 . LEU 15 . VAL 16 . PRO 17 . ARG 18 . GLY 19 . SER 20 . HIS 21 1 MET 22 2 GLY 23 3 ASP 24 4 VAL 25 5 VAL 26 6 ALA 27 7 THR 28 8 ILE 29 9 LYS 30 10 VAL 31 11 MET 32 12 PRO 33 13 GLU 34 14 SER 35 15 PRO 36 16 ASP 37 17 VAL 38 18 ASP 39 19 LEU 40 20 GLU 41 21 ALA 42 22 LEU 43 23 LYS 44 24 LYS 45 25 GLU 46 26 ILE 47 27 GLN 48 28 GLU 49 29 ARG 50 30 ILE 51 31 PRO 52 32 GLU 53 33 GLY 54 34 THR 55 35 GLU 56 36 LEU 57 37 HIS 58 38 LYS 59 39 ILE 60 40 ASP 61 41 GLU 62 42 GLU 63 43 PRO 64 44 ILE 65 45 ALA 66 46 PHE 67 47 GLY 68 48 LEU 69 49 VAL 70 50 ALA 71 51 LEU 72 52 ASN 73 53 VAL 74 54 MET 75 55 VAL 76 56 VAL 77 57 VAL 78 58 GLY 79 59 ASP 80 60 ALA 81 61 GLU 82 62 GLY 83 63 GLY 84 64 THR 85 65 GLU 86 66 ALA 87 67 ALA 88 68 GLU 89 69 GLU 90 70 SER 91 71 LEU 92 72 SER 93 73 GLY 94 74 ILE 95 75 GLU 96 76 GLY 97 77 VAL 98 78 SER 99 79 ASN 100 80 ILE 101 81 GLU 102 82 VAL 103 83 THR 104 84 ASP 105 85 VAL 106 86 ARG 107 87 ARG 108 88 LEU 109 89 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-13 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 1GH8 "Solution Structure Of The Archaeal Translation Elongation Factor 1beta From Methanobacterium Thermoautotrophicum" 81.65 89 100.00 100.00 5.31e-53 DBJ BAM70800 "elongation factor 1-beta [Methanothermobacter sp. CaT2]" 81.65 89 100.00 100.00 5.31e-53 GB AAB86171 "translation elongation factor EF-1b [Methanothermobacter thermautotrophicus str. Delta H]" 81.65 89 100.00 100.00 5.31e-53 REF WP_010877307 "MULTISPECIES: effector protein [Methanothermobacter]" 81.65 89 100.00 100.00 5.31e-53 SP O27734 "RecName: Full=Elongation factor 1-beta; Short=EF-1-beta; AltName: Full=aEF-1beta" 81.65 89 100.00 100.00 5.31e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $aEF-1beta 'Methanobacterium thermoautotrophicum' 2166 Archaea Euryarchaeota Methanobacterium thermoautotrophicum 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 $aEF-1beta '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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $aEF-1beta . mM 1.0 3.0 '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 50 mM . . . 'sodium chloride' 150 mM . . . EDTA 10 mM . . . 'sodium azide' 0.02 % . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_NMR_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-13C-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-13C-HSQC _Sample_label . save_ save_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _Sample_label . save_ save_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _Sample_label . save_ save_1H-13C_TOCSY_&_COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C TOCSY & COSY' _Sample_label . save_ save_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_CBCACONH_10 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-13C-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C TOCSY & COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_standard_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.2 0.02 M pH 6.3 0.1 n/a temperature 303 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 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_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D NOESY' '1H-15N HSQC' 1H-13C-HSQC '1H-15N NOESY' '1H-15N TOCSY' '1H-13C NOESY' '1H-13C TOCSY & COSY' HNCO HNCA CBCACONH stop_ _Sample_conditions_label $standard_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'elongation factor-1beta' _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 . 21 MET N N 121.0 0.25 1 2 . 21 MET H H 8.36 0.01 1 3 . 21 MET CA C 55.9 0.20 1 4 . 21 MET HA H 4.39 0.01 1 5 . 21 MET CB C 31.8 0.20 1 6 . 21 MET HB2 H 2.15 0.01 2 7 . 21 MET HG2 H 2.54 0.01 2 8 . 21 MET HE H 2.09 0.01 1 9 . 21 MET C C 176.6 0.10 1 10 . 22 GLY N N 111.4 0.25 1 11 . 22 GLY H H 8.55 0.01 1 12 . 22 GLY CA C 44.9 0.20 1 13 . 22 GLY HA2 H 4.15 0.01 2 14 . 22 GLY HA3 H 3.91 0.01 2 15 . 22 GLY C C 173.2 0.10 1 16 . 23 ASP N N 120.3 0.25 1 17 . 23 ASP H H 8.13 0.01 1 18 . 23 ASP CA C 54.1 0.20 1 19 . 23 ASP HA H 4.89 0.01 1 20 . 23 ASP CB C 41.8 0.20 1 21 . 23 ASP HB2 H 2.72 0.01 2 22 . 23 ASP HB3 H 2.61 0.01 2 23 . 23 ASP C C 175.5 0.10 1 24 . 24 VAL N N 119.8 0.25 1 25 . 24 VAL H H 8.54 0.01 1 26 . 24 VAL CA C 61.2 0.20 1 27 . 24 VAL HA H 4.54 0.01 1 28 . 24 VAL CB C 32.6 0.20 1 29 . 24 VAL HB H 1.95 0.01 1 30 . 24 VAL CG1 C 20.6 0.20 1 31 . 24 VAL HG1 H 0.87 0.01 2 32 . 24 VAL CG2 C 21.2 0.20 1 33 . 24 VAL HG2 H 0.74 0.01 2 34 . 24 VAL C C 174.4 0.10 1 35 . 25 VAL N N 124.3 0.25 1 36 . 25 VAL H H 9.06 0.01 1 37 . 25 VAL CA C 59.0 0.20 1 38 . 25 VAL HA H 5.14 0.01 1 39 . 25 VAL CB C 34.1 0.20 1 40 . 25 VAL HB H 1.81 0.01 1 41 . 25 VAL CG1 C 20.5 0.20 1 42 . 25 VAL HG1 H 0.78 0.01 2 43 . 25 VAL CG2 C 20.8 0.20 1 44 . 25 VAL HG2 H 0.75 0.01 2 45 . 25 VAL C C 174.9 0.10 1 46 . 26 ALA N N 131.3 0.25 1 47 . 26 ALA H H 9.41 0.01 1 48 . 26 ALA CA C 49.4 0.20 1 49 . 26 ALA HA H 5.40 0.01 1 50 . 26 ALA CB C 21.9 0.20 1 51 . 26 ALA HB H 1.32 0.01 1 52 . 26 ALA C C 176.0 0.10 1 53 . 27 THR N N 118.9 0.25 1 54 . 27 THR H H 9.03 0.01 1 55 . 27 THR CA C 62.1 0.20 1 56 . 27 THR HA H 4.89 0.01 1 57 . 27 THR CB C 39.0 0.20 1 58 . 27 THR HB H 4.05 0.01 1 59 . 27 THR CG2 C 21.0 0.20 1 60 . 27 THR HG2 H 1.02 0.01 1 61 . 27 THR C C 172.9 0.10 1 62 . 28 ILE N N 128.2 0.25 1 63 . 28 ILE H H 9.56 0.01 1 64 . 28 ILE CA C 59.8 0.20 1 65 . 28 ILE HA H 4.67 0.01 1 66 . 28 ILE CB C 39.8 0.20 1 67 . 28 ILE HB H 1.80 0.01 1 68 . 28 ILE CG2 C 18.2 0.20 2 69 . 28 ILE HG2 H 0.72 0.01 1 70 . 28 ILE CG1 C 27.3 0.20 2 71 . 28 ILE HG12 H 0.93 0.01 2 72 . 28 ILE CD1 C 13.5 0.20 1 73 . 28 ILE HD1 H 0.71 0.01 1 74 . 28 ILE C C 174.2 0.10 1 75 . 29 LYS N N 131.2 0.25 1 76 . 29 LYS H H 9.64 0.01 1 77 . 29 LYS CA C 55.6 0.20 1 78 . 29 LYS HA H 5.16 0.01 1 79 . 29 LYS CB C 33.7 0.20 1 80 . 29 LYS HB2 H 1.89 0.01 2 81 . 29 LYS HB3 H 1.80 0.01 2 82 . 29 LYS CG C 24.2 0.20 1 83 . 29 LYS HG2 H 1.42 0.01 2 84 . 29 LYS HG3 H 1.18 0.01 2 85 . 29 LYS CD C 29.0 0.20 1 86 . 29 LYS HD2 H 1.68 0.01 2 87 . 29 LYS CE C 41.0 0.20 1 88 . 29 LYS HE2 H 2.86 0.01 2 89 . 29 LYS C C 176.0 0.10 1 90 . 30 VAL N N 130.1 0.25 1 91 . 30 VAL H H 9.74 0.01 1 92 . 30 VAL CA C 61.2 0.20 1 93 . 30 VAL HA H 4.46 0.01 1 94 . 30 VAL CB C 33.2 0.20 1 95 . 30 VAL HB H 2.27 0.01 1 96 . 30 VAL CG1 C 21.7 0.20 1 97 . 30 VAL HG1 H 0.98 0.01 1 98 . 30 VAL CG2 C 20.7 0.20 1 99 . 30 VAL HG2 H 0.98 0.01 1 100 . 30 VAL C C 174.5 0.10 1 101 . 31 MET N N 127.3 0.25 1 102 . 31 MET H H 8.63 0.01 1 103 . 31 MET CA C 50.7 0.20 1 104 . 31 MET HA H 5.38 0.01 1 105 . 31 MET CB C 33.2 0.20 1 106 . 31 MET HB2 H 2.24 0.01 2 107 . 31 MET HB3 H 2.08 0.01 2 108 . 31 MET HG2 H 2.65 0.01 2 109 . 31 MET HG3 H 2.60 0.01 2 110 . 31 MET HE H 2.12 0.01 1 111 . 32 PRO CD C 52.1 0.20 1 112 . 32 PRO CA C 31.8 0.20 1 113 . 32 PRO HA H 5.09 0.01 1 114 . 32 PRO CB C 32.9 0.20 1 115 . 32 PRO HB2 H 2.25 0.01 2 116 . 32 PRO HB3 H 2.05 0.01 2 117 . 32 PRO CG C 27.1 0.20 1 118 . 32 PRO HG2 H 1.96 0.01 2 119 . 32 PRO HD2 H 3.00 0.01 2 120 . 32 PRO HD3 H 2.84 0.01 2 121 . 32 PRO C C 176.5 0.10 1 122 . 33 GLU N N 118.0 0.25 1 123 . 33 GLU H H 8.72 0.01 1 124 . 33 GLU CA C 57.2 0.20 1 125 . 33 GLU HA H 4.14 0.01 1 126 . 33 GLU CB C 30.5 0.20 1 127 . 33 GLU HB2 H 2.00 0.01 2 128 . 33 GLU HB3 H 1.87 0.01 2 129 . 33 GLU CG C 35.2 0.20 1 130 . 33 GLU HG2 H 2.26 0.01 2 131 . 33 GLU C C 175.3 0.10 1 132 . 34 SER N N 110.8 0.25 1 133 . 34 SER H H 7.47 0.01 1 134 . 34 SER CA C 56.0 0.20 1 135 . 34 SER HA H 5.05 0.01 1 136 . 34 SER CB C 31.2 0.20 1 137 . 34 SER HB2 H 4.28 0.01 2 138 . 34 SER HB3 H 3.89 0.01 2 139 . 35 PRO CD C 51.1 0.20 1 140 . 35 PRO CA C 33.8 0.20 1 141 . 35 PRO HA H 4.71 0.01 1 142 . 35 PRO HB2 H 2.07 0.01 2 143 . 35 PRO HB3 H 1.97 0.01 2 144 . 35 PRO CG C 27.3 0.20 1 145 . 35 PRO HG2 H 2.21 0.01 2 146 . 35 PRO HD2 H 4.12 0.01 2 147 . 35 PRO HD3 H 4.05 0.01 2 148 . 35 PRO C C 175.8 0.10 1 149 . 36 ASP N N 116.1 0.25 1 150 . 36 ASP H H 8.11 0.01 1 151 . 36 ASP CA C 54.3 0.20 1 152 . 36 ASP HA H 4.67 0.01 1 153 . 36 ASP CB C 40.7 0.20 1 154 . 36 ASP HB2 H 2.83 0.01 2 155 . 36 ASP HB3 H 2.51 0.01 2 156 . 36 ASP C C 176.4 0.10 1 157 . 37 VAL N N 121.2 0.25 1 158 . 37 VAL H H 7.08 0.01 1 159 . 37 VAL CA C 62.7 0.20 1 160 . 37 VAL HA H 3.88 0.01 1 161 . 37 VAL CB C 31.8 0.20 1 162 . 37 VAL HB H 2.24 0.01 1 163 . 37 VAL CG1 C 22.2 0.20 1 164 . 37 VAL HG1 H 1.34 0.01 2 165 . 37 VAL CG2 C 20.7 0.20 1 166 . 37 VAL HG2 H 1.06 0.01 2 167 . 37 VAL C C 175.3 0.10 1 168 . 38 ASP N N 127.5 0.25 1 169 . 38 ASP H H 8.57 0.01 1 170 . 38 ASP CA C 53.3 0.20 1 171 . 38 ASP HA H 4.64 0.01 1 172 . 38 ASP CB C 40.7 0.20 1 173 . 38 ASP HB2 H 3.00 0.01 2 174 . 38 ASP HB3 H 2.78 0.01 2 175 . 38 ASP C C 177.0 0.10 1 176 . 39 LEU N N 130.1 0.25 1 177 . 39 LEU H H 8.89 0.01 1 178 . 39 LEU CA C 57.3 0.20 1 179 . 39 LEU HA H 4.07 0.01 1 180 . 39 LEU CB C 42.3 0.20 1 181 . 39 LEU HB2 H 1.94 0.01 2 182 . 39 LEU HB3 H 1.54 0.01 2 183 . 39 LEU HG H 1.71 0.01 1 184 . 39 LEU CD1 C 24.6 0.20 2 185 . 39 LEU HD1 H 0.90 0.01 1 186 . 39 LEU CD2 C 22.7 0.20 2 187 . 39 LEU HD2 H 0.90 0.01 1 188 . 39 LEU C C 179.3 0.10 1 189 . 40 GLU N N 118.6 0.25 1 190 . 40 GLU H H 8.21 0.01 1 191 . 40 GLU CA C 59.0 0.20 1 192 . 40 GLU HA H 4.06 0.01 1 193 . 40 GLU CB C 28.1 0.20 1 194 . 40 GLU HB2 H 2.24 0.01 2 195 . 40 GLU HB3 H 2.20 0.01 2 196 . 40 GLU CG C 35.9 0.20 1 197 . 40 GLU HG2 H 2.47 0.01 2 198 . 40 GLU HG3 H 2.38 0.01 2 199 . 40 GLU C C 179.9 0.10 1 200 . 41 ALA N N 124.0 0.25 1 201 . 41 ALA H H 7.95 0.01 1 202 . 41 ALA CA C 54.2 0.20 1 203 . 41 ALA HA H 4.19 0.01 1 204 . 41 ALA CB C 17.5 0.20 1 205 . 41 ALA HB H 1.54 0.01 1 206 . 41 ALA C C 180.7 0.10 1 207 . 42 LEU N N 121.0 0.25 1 208 . 42 LEU H H 7.98 0.01 1 209 . 42 LEU CA C 57.7 0.20 1 210 . 42 LEU HA H 4.24 0.01 1 211 . 42 LEU CB C 41.7 0.20 1 212 . 42 LEU HB2 H 1.80 0.01 2 213 . 42 LEU HB3 H 1.72 0.01 2 214 . 42 LEU CG C 26.6 0.20 1 215 . 42 LEU HG H 1.63 0.01 1 216 . 42 LEU CD1 C 24.6 0.20 2 217 . 42 LEU HD1 H 0.92 0.01 2 218 . 42 LEU CD2 C 23.8 0.20 2 219 . 42 LEU HD2 H 0.81 0.01 2 220 . 42 LEU C C 178.6 0.10 1 221 . 43 LYS N N 118.2 0.25 1 222 . 43 LYS H H 8.36 0.01 1 223 . 43 LYS CA C 60.8 0.20 1 224 . 43 LYS HA H 3.74 0.01 1 225 . 43 LYS CB C 32.5 0.20 1 226 . 43 LYS HB2 H 2.00 0.01 2 227 . 43 LYS HB3 H 1.89 0.01 2 228 . 43 LYS CG C 26.8 0.20 1 229 . 43 LYS HG2 H 1.26 0.01 2 230 . 43 LYS HG3 H 1.00 0.01 2 231 . 43 LYS CD C 30.0 0.20 1 232 . 43 LYS HD2 H 1.81 0.01 2 233 . 43 LYS HD3 H 1.70 0.01 2 234 . 43 LYS CE C 41.6 0.20 1 235 . 43 LYS HE2 H 2.70 0.01 2 236 . 43 LYS C C 178.7 0.10 1 237 . 44 LYS N N 119.1 0.25 1 238 . 44 LYS H H 7.47 0.01 1 239 . 44 LYS CA C 59.0 0.20 1 240 . 44 LYS HA H 4.08 0.01 1 241 . 44 LYS CB C 31.7 0.20 1 242 . 44 LYS HB2 H 2.03 0.01 2 243 . 44 LYS HB3 H 1.98 0.01 2 244 . 44 LYS CG C 24.6 0.20 1 245 . 44 LYS HG2 H 1.62 0.01 2 246 . 44 LYS HG3 H 1.49 0.01 2 247 . 44 LYS CD C 28.8 0.20 1 248 . 44 LYS HD2 H 1.75 0.01 2 249 . 44 LYS CE C 41.3 0.20 1 250 . 44 LYS HE2 H 3.06 0.01 2 251 . 44 LYS C C 178.4 0.10 1 252 . 45 GLU N N 120.5 0.25 1 253 . 45 GLU H H 7.98 0.01 1 254 . 45 GLU CA C 59.0 0.20 1 255 . 45 GLU HA H 4.12 0.01 1 256 . 45 GLU CB C 29.1 0.20 1 257 . 45 GLU HB2 H 2.27 0.01 2 258 . 45 GLU CG C 35.6 0.20 1 259 . 45 GLU HG2 H 2.41 0.01 2 260 . 45 GLU C C 178.9 0.10 1 261 . 46 ILE N N 118.9 0.25 1 262 . 46 ILE H H 8.51 0.01 1 263 . 46 ILE CA C 65.6 0.20 1 264 . 46 ILE HA H 3.40 0.01 1 265 . 46 ILE CB C 37.4 0.20 1 266 . 46 ILE HB H 2.01 0.01 1 267 . 46 ILE CG2 C 17.0 0.20 2 268 . 46 ILE HG2 H 0.86 0.01 1 269 . 46 ILE CG1 C 19.7 0.20 2 270 . 46 ILE CD1 C 14.9 0.20 1 271 . 46 ILE HD1 H 0.79 0.01 1 272 . 46 ILE C C 177.1 0.10 1 273 . 47 GLN N N 115.6 0.25 1 274 . 47 GLN H H 7.65 0.01 1 275 . 47 GLN CA C 59.0 0.20 1 276 . 47 GLN HA H 3.87 0.01 1 277 . 47 GLN CB C 28.2 0.20 1 278 . 47 GLN HB2 H 2.25 0.01 2 279 . 47 GLN CG C 34.2 0.20 1 280 . 47 GLN HG2 H 2.54 0.01 2 281 . 47 GLN HE21 H 7.23 0.01 1 282 . 47 GLN HE22 H 6.93 0.01 1 283 . 47 GLN C C 178.2 0.10 1 284 . 48 GLU N N 116.8 0.25 1 285 . 48 GLU H H 7.79 0.01 1 286 . 48 GLU CA C 57.5 0.20 1 287 . 48 GLU HA H 4.12 0.01 1 288 . 48 GLU CB C 29.7 0.20 1 289 . 48 GLU HB2 H 2.20 0.01 2 290 . 48 GLU CG C 36.1 0.20 1 291 . 48 GLU HG2 H 2.41 0.01 2 292 . 48 GLU C C 177.9 0.10 1 293 . 49 ARG N N 117.7 0.25 1 294 . 49 ARG H H 7.79 0.01 1 295 . 49 ARG CA C 55.6 0.20 1 296 . 49 ARG HA H 4.33 0.01 1 297 . 49 ARG HB2 H 2.02 0.01 2 298 . 49 ARG HB3 H 1.83 0.01 2 299 . 49 ARG CG C 27.9 0.20 1 300 . 49 ARG HG2 H 1.75 0.01 2 301 . 49 ARG HG3 H 1.71 0.01 2 302 . 49 ARG CD C 43.2 0.20 1 303 . 49 ARG HD2 H 3.24 0.01 2 304 . 49 ARG HD3 H 3.07 0.01 2 305 . 49 ARG C C 176.6 0.10 1 306 . 50 ILE N N 120.6 0.25 1 307 . 50 ILE H H 7.17 0.01 1 308 . 50 ILE CA C 57.8 0.20 1 309 . 50 ILE HA H 4.23 0.01 1 310 . 50 ILE CB C 35.9 0.20 1 311 . 50 ILE HB H 2.10 0.01 1 312 . 50 ILE CG2 C 17.4 0.20 2 313 . 50 ILE HG2 H 0.94 0.01 1 314 . 50 ILE HG12 H 1.92 0.01 2 315 . 50 ILE HG13 H 1.49 0.01 2 316 . 50 ILE CD1 C 10.7 0.20 1 317 . 50 ILE HD1 H 0.73 0.01 1 318 . 51 PRO CD C 49.9 0.20 1 319 . 51 PRO CA C 62.7 0.20 1 320 . 51 PRO HA H 4.54 0.01 1 321 . 51 PRO HB2 H 2.36 0.01 2 322 . 51 PRO HB3 H 2.04 0.01 2 323 . 51 PRO CG C 26.0 0.20 1 324 . 51 PRO HG2 H 1.98 0.01 2 325 . 51 PRO HG3 H 1.86 0.01 2 326 . 51 PRO HD2 H 3.47 0.01 2 327 . 51 PRO C C 176.5 0.10 1 328 . 52 GLU N N 121.5 0.25 1 329 . 52 GLU H H 8.57 0.01 1 330 . 52 GLU CA C 57.8 0.20 1 331 . 52 GLU HA H 4.19 0.01 1 332 . 52 GLU HB2 H 2.10 0.01 2 333 . 52 GLU HB3 H 2.04 0.01 2 334 . 52 GLU CG C 35.8 0.20 1 335 . 52 GLU HG2 H 2.36 0.01 2 336 . 52 GLU C C 177.7 0.10 1 337 . 53 GLY N N 114.5 0.25 1 338 . 53 GLY H H 8.98 0.01 1 339 . 53 GLY CA C 44.8 0.20 1 340 . 53 GLY HA2 H 4.42 0.01 2 341 . 53 GLY HA3 H 3.77 0.01 2 342 . 53 GLY C C 174.0 0.10 1 343 . 54 THR N N 116.7 0.25 1 344 . 54 THR H H 8.13 0.01 1 345 . 54 THR CA C 61.3 0.20 1 346 . 54 THR HA H 4.83 0.01 1 347 . 54 THR CB C 40.0 0.20 1 348 . 54 THR HB H 4.15 0.01 1 349 . 54 THR CG2 C 22.1 0.20 1 350 . 54 THR HG2 H 1.10 0.01 1 351 . 54 THR C C 172.7 0.10 1 352 . 55 GLU N N 122.2 0.25 1 353 . 55 GLU H H 8.41 0.01 1 354 . 55 GLU CA C 54.2 0.20 1 355 . 55 GLU HA H 4.73 0.01 1 356 . 55 GLU CB C 32.6 0.20 1 357 . 55 GLU HB2 H 2.05 0.01 2 358 . 55 GLU HB3 H 1.92 0.01 2 359 . 55 GLU CG C 35.6 0.20 1 360 . 55 GLU HG2 H 2.29 0.01 2 361 . 55 GLU C C 175.5 0.10 1 362 . 56 LEU N N 127.1 0.25 1 363 . 56 LEU H H 9.17 0.01 1 364 . 56 LEU CA C 54.8 0.20 1 365 . 56 LEU HA H 4.46 0.01 1 366 . 56 LEU CB C 42.0 0.20 1 367 . 56 LEU HB2 H 2.02 0.01 2 368 . 56 LEU HB3 H 1.46 0.01 2 369 . 56 LEU HD1 H 0.93 0.01 1 370 . 56 LEU HD2 H 0.93 0.01 1 371 . 56 LEU C C 175.4 0.10 1 372 . 57 HIS N N 128.2 0.25 1 373 . 57 HIS H H 9.36 0.01 1 374 . 57 HIS CA C 57.6 0.20 1 375 . 57 HIS HA H 4.89 0.01 1 376 . 57 HIS CB C 31.4 0.20 1 377 . 57 HIS HB2 H 3.01 0.01 2 378 . 57 HIS HB3 H 2.84 0.01 2 379 . 57 HIS HD2 H 7.02 0.01 1 380 . 57 HIS HE1 H 7.97 0.01 1 381 . 57 HIS C C 174.8 0.10 1 382 . 58 LYS N N 114.7 0.25 1 383 . 58 LYS H H 7.76 0.01 1 384 . 58 LYS CA C 56.0 0.20 1 385 . 58 LYS HA H 4.46 0.01 1 386 . 58 LYS CB C 35.7 0.20 1 387 . 58 LYS HB2 H 1.95 0.01 2 388 . 58 LYS HB3 H 1.88 0.01 2 389 . 58 LYS CG C 23.7 0.20 1 390 . 58 LYS HG2 H 1.69 0.01 2 391 . 58 LYS CD C 29.3 0.20 1 392 . 58 LYS HD2 H 1.25 0.01 2 393 . 58 LYS CE C 41.5 0.20 1 394 . 58 LYS HE2 H 3.02 0.01 2 395 . 58 LYS C C 173.7 0.10 1 396 . 59 ILE N N 120.7 0.25 1 397 . 59 ILE H H 8.50 0.01 1 398 . 59 ILE CA C 61.1 0.20 1 399 . 59 ILE HA H 4.97 0.01 1 400 . 59 ILE CB C 39.8 0.20 1 401 . 59 ILE HB H 1.82 0.01 1 402 . 59 ILE CG2 C 18.5 0.20 2 403 . 59 ILE HG2 H 0.87 0.01 1 404 . 59 ILE CG1 C 27.9 0.20 2 405 . 59 ILE HG12 H 1.04 0.01 2 406 . 59 ILE HG13 H 0.99 0.01 2 407 . 59 ILE CD1 C 13.7 0.20 1 408 . 59 ILE HD1 H 0.98 0.01 1 409 . 59 ILE C C 174.8 0.10 1 410 . 60 ASP N N 128.2 0.25 1 411 . 60 ASP H H 9.00 0.01 1 412 . 60 ASP CA C 52.2 0.20 1 413 . 60 ASP HA H 5.24 0.01 1 414 . 60 ASP CB C 44.4 0.20 1 415 . 60 ASP HB2 H 2.80 0.01 2 416 . 60 ASP HB3 H 2.57 0.01 2 417 . 60 ASP C C 175.2 0.10 1 418 . 61 GLU N N 121.2 0.25 1 419 . 61 GLU H H 8.69 0.01 1 420 . 61 GLU CA C 55.5 0.20 1 421 . 61 GLU HA H 4.83 0.01 1 422 . 61 GLU HB2 H 1.91 0.01 2 423 . 61 GLU CG C 36.1 0.20 1 424 . 61 GLU HG2 H 2.27 0.01 2 425 . 61 GLU C C 176.4 0.10 1 426 . 62 GLU N N 125.4 0.25 1 427 . 62 GLU H H 9.10 0.01 1 428 . 62 GLU CA C 52.7 0.20 1 429 . 62 GLU HA H 4.93 0.01 1 430 . 62 GLU CB C 32.4 0.20 1 431 . 62 GLU HB2 H 1.91 0.01 2 432 . 62 GLU HG2 H 2.04 0.01 2 433 . 63 PRO CD C 50.7 0.20 1 434 . 63 PRO CA C 63.5 0.20 1 435 . 63 PRO HA H 4.58 0.01 1 436 . 63 PRO CB C 31.5 0.20 1 437 . 63 PRO HB2 H 2.39 0.01 2 438 . 63 PRO CG C 27.3 0.20 1 439 . 63 PRO HG2 H 2.11 0.01 2 440 . 63 PRO HG3 H 2.02 0.01 2 441 . 63 PRO HD2 H 3.86 0.01 2 442 . 63 PRO HD3 H 3.80 0.01 2 443 . 63 PRO C C 176.5 0.10 1 444 . 64 ILE N N 124.3 0.25 1 445 . 64 ILE H H 8.64 0.01 1 446 . 64 ILE CA C 60.4 0.20 1 447 . 64 ILE HA H 4.42 0.01 1 448 . 64 ILE CB C 38.2 0.20 1 449 . 64 ILE HB H 1.92 0.01 1 450 . 64 ILE CG2 C 17.1 0.20 2 451 . 64 ILE HG2 H 0.98 0.01 1 452 . 64 ILE CG1 C 27.0 0.20 2 453 . 64 ILE HG12 H 1.45 0.01 2 454 . 64 ILE HG13 H 1.25 0.01 2 455 . 64 ILE CD1 C 11.8 0.20 1 456 . 64 ILE HD1 H 0.83 0.01 1 457 . 64 ILE C C 175.0 0.10 1 458 . 65 ALA N N 120.5 0.25 1 459 . 65 ALA H H 7.69 0.01 1 460 . 65 ALA CA C 51.9 0.20 1 461 . 65 ALA HA H 4.32 0.01 1 462 . 65 ALA CB C 20.2 0.20 1 463 . 65 ALA HB H 1.26 0.01 1 464 . 66 PHE N N 118.0 0.25 1 465 . 66 PHE H H 8.76 0.01 1 466 . 66 PHE CA C 58.7 0.20 1 467 . 66 PHE HA H 4.39 0.01 1 468 . 66 PHE CB C 36.7 0.20 1 469 . 66 PHE HB2 H 3.37 0.01 2 470 . 66 PHE HB3 H 3.23 0.01 2 471 . 66 PHE HD1 H 7.33 0.01 3 472 . 66 PHE HE1 H 7.44 0.01 3 473 . 66 PHE HZ H 7.38 0.01 1 474 . 66 PHE C C 176.2 0.10 1 475 . 67 GLY N N 108.6 0.25 1 476 . 67 GLY H H 8.36 0.01 1 477 . 67 GLY CA C 45.1 0.20 1 478 . 67 GLY HA2 H 4.19 0.01 2 479 . 67 GLY HA3 H 3.72 0.01 2 480 . 67 GLY C C 173.7 0.10 1 481 . 68 LEU N N 121.9 0.25 1 482 . 68 LEU H H 7.84 0.01 1 483 . 68 LEU CA C 54.0 0.20 1 484 . 68 LEU HA H 4.62 0.01 1 485 . 68 LEU CB C 43.8 0.20 1 486 . 68 LEU HB2 H 1.68 0.01 2 487 . 68 LEU HB3 H 1.64 0.01 2 488 . 68 LEU HG H 1.58 0.01 1 489 . 68 LEU HD1 H 0.88 0.01 1 490 . 68 LEU HD2 H 0.88 0.01 1 491 . 68 LEU C C 175.5 0.10 1 492 . 69 VAL N N 127.8 0.25 1 493 . 69 VAL H H 8.49 0.01 1 494 . 69 VAL CA C 61.5 0.20 1 495 . 69 VAL HA H 4.37 0.01 1 496 . 69 VAL CB C 41.3 0.20 1 497 . 69 VAL HB H 2.06 0.01 1 498 . 69 VAL CG1 C 21.0 0.20 1 499 . 69 VAL HG1 H 0.88 0.01 1 500 . 69 VAL CG2 C 20.6 0.20 1 501 . 69 VAL HG2 H 0.88 0.01 1 502 . 69 VAL C C 173.5 0.10 1 503 . 70 ALA N N 124.7 0.25 1 504 . 70 ALA H H 8.41 0.01 1 505 . 70 ALA CA C 49.9 0.20 1 506 . 70 ALA HA H 4.84 0.01 1 507 . 70 ALA CB C 20.9 0.20 1 508 . 70 ALA HB H 1.42 0.01 1 509 . 70 ALA C C 176.5 0.10 1 510 . 71 LEU N N 117.0 0.25 1 511 . 71 LEU H H 8.50 0.01 1 512 . 71 LEU CA C 51.9 0.20 1 513 . 71 LEU HA H 5.23 0.01 1 514 . 71 LEU CB C 43.3 0.20 1 515 . 71 LEU HB2 H 1.81 0.01 2 516 . 71 LEU HB3 H 1.09 0.01 2 517 . 71 LEU HG H 1.70 0.01 1 518 . 71 LEU HD1 H 0.86 0.01 1 519 . 71 LEU HD2 H 0.86 0.01 1 520 . 71 LEU C C 175.3 0.10 1 521 . 72 ASN N N 122.9 0.25 1 522 . 72 ASN H H 9.25 0.01 1 523 . 72 ASN CA C 52.0 0.20 1 524 . 72 ASN HA H 5.29 0.01 1 525 . 72 ASN CB C 39.5 0.20 1 526 . 72 ASN HB2 H 2.57 0.01 2 527 . 72 ASN HB3 H 2.34 0.01 2 528 . 72 ASN HD21 H 6.91 0.01 2 529 . 72 ASN HD22 H 7.21 0.01 2 530 . 72 ASN C C 174.0 0.10 1 531 . 73 VAL N N 128.0 0.25 1 532 . 73 VAL H H 9.64 0.01 1 533 . 73 VAL CA C 61.4 0.20 1 534 . 73 VAL HA H 4.33 0.01 1 535 . 73 VAL CB C 32.3 0.20 1 536 . 73 VAL HB H 2.46 0.01 1 537 . 73 VAL CG1 C 21.7 0.20 1 538 . 73 VAL HG1 H 1.03 0.01 2 539 . 73 VAL CG2 C 21.0 0.20 1 540 . 73 VAL HG2 H 0.73 0.01 2 541 . 73 VAL C C 174.4 0.10 1 542 . 74 MET N N 127.5 0.25 1 543 . 74 MET H H 9.20 0.01 1 544 . 74 MET CA C 54.7 0.20 1 545 . 74 MET HA H 5.64 0.01 1 546 . 74 MET CB C 34.1 0.20 1 547 . 74 MET HB2 H 2.24 0.01 2 548 . 74 MET HB3 H 1.95 0.01 2 549 . 74 MET HG2 H 2.66 0.01 2 550 . 74 MET HG3 H 2.58 0.01 2 551 . 74 MET HE H 2.08 0.01 1 552 . 74 MET C C 175.7 0.10 1 553 . 75 VAL N N 121.0 0.25 1 554 . 75 VAL H H 9.36 0.01 1 555 . 75 VAL CA C 58.4 0.20 1 556 . 75 VAL HA H 5.20 0.01 1 557 . 75 VAL CB C 34.5 0.20 1 558 . 75 VAL HB H 1.98 0.01 1 559 . 75 VAL CG1 C 21.5 0.20 1 560 . 75 VAL HG1 H 0.86 0.01 2 561 . 75 VAL CG2 C 19.1 0.20 1 562 . 75 VAL HG2 H 0.79 0.01 2 563 . 75 VAL C C 173.8 0.10 1 564 . 76 VAL N N 125.0 0.25 1 565 . 76 VAL H H 9.31 0.01 1 566 . 76 VAL CA C 61.3 0.20 1 567 . 76 VAL HA H 4.86 0.01 1 568 . 76 VAL CB C 32.0 0.20 1 569 . 76 VAL HB H 2.04 0.01 1 570 . 76 VAL CG1 C 21.1 0.20 1 571 . 76 VAL HG1 H 0.85 0.01 2 572 . 76 VAL CG2 C 20.7 0.20 1 573 . 76 VAL HG2 H 0.74 0.01 2 574 . 76 VAL C C 176.4 0.10 1 575 . 77 VAL N N 123.5 0.25 1 576 . 77 VAL H H 8.89 0.01 1 577 . 77 VAL CA C 60.1 0.20 1 578 . 77 VAL HA H 4.62 0.01 1 579 . 77 VAL CB C 33.6 0.20 1 580 . 77 VAL HB H 2.17 0.01 1 581 . 77 VAL CG1 C 21.6 0.20 1 582 . 77 VAL HG1 H 0.87 0.01 1 583 . 77 VAL CG2 C 18.8 0.20 1 584 . 77 VAL HG2 H 0.87 0.01 1 585 . 77 VAL C C 175.7 0.10 1 586 . 78 GLY N N 110.2 0.25 1 587 . 78 GLY H H 8.27 0.01 1 588 . 78 GLY CA C 45.2 0.20 1 589 . 78 GLY HA2 H 4.38 0.01 2 590 . 78 GLY HA3 H 3.96 0.01 2 591 . 78 GLY C C 174.1 0.10 1 592 . 79 ASP N N 120.0 0.25 1 593 . 79 ASP H H 8.16 0.01 1 594 . 79 ASP CA C 53.9 0.20 1 595 . 79 ASP HA H 4.69 0.01 1 596 . 79 ASP CB C 41.3 0.20 1 597 . 79 ASP HB2 H 2.78 0.01 2 598 . 79 ASP HB3 H 2.73 0.01 2 599 . 79 ASP C C 176.5 0.10 1 600 . 80 ALA N N 124.3 0.25 1 601 . 80 ALA H H 8.42 0.01 1 602 . 80 ALA CA C 53.0 0.20 1 603 . 80 ALA HA H 4.24 0.01 1 604 . 80 ALA CB C 18.9 0.20 1 605 . 80 ALA HB H 1.47 0.01 1 606 . 80 ALA C C 178.4 0.10 1 607 . 81 GLU N N 120.7 0.25 1 608 . 81 GLU H H 8.54 0.01 1 609 . 81 GLU CA C 56.2 0.20 1 610 . 81 GLU HA H 4.34 0.01 1 611 . 81 GLU CB C 29.4 0.20 1 612 . 81 GLU HB2 H 2.14 0.01 2 613 . 81 GLU HB3 H 2.09 0.01 2 614 . 81 GLU HG2 H 2.34 0.01 2 615 . 81 GLU C C 177.0 0.10 1 616 . 82 GLY N N 110.7 0.25 1 617 . 82 GLY H H 8.60 0.01 1 618 . 82 GLY CA C 45.6 0.20 1 619 . 82 GLY HA2 H 4.04 0.01 2 620 . 82 GLY HA3 H 3.96 0.01 2 621 . 82 GLY C C 176.1 0.10 1 622 . 83 GLY N N 109.5 0.25 1 623 . 83 GLY H H 8.21 0.01 1 624 . 83 GLY CA C 46.5 0.20 1 625 . 83 GLY HA2 H 4.13 0.01 2 626 . 83 GLY HA3 H 4.00 0.01 2 627 . 83 GLY C C 175.6 0.10 1 628 . 84 THR N N 115.4 0.25 1 629 . 84 THR H H 8.31 0.01 1 630 . 84 THR CA C 65.0 0.20 1 631 . 84 THR HA H 4.21 0.01 1 632 . 84 THR CB C 67.7 0.20 1 633 . 84 THR HB H 4.14 0.01 1 634 . 84 THR CG2 C 22.1 0.20 1 635 . 84 THR HG2 H 1.12 0.01 1 636 . 84 THR C C 175.5 0.10 1 637 . 85 GLU N N 123.1 0.25 1 638 . 85 GLU H H 8.42 0.01 1 639 . 85 GLU CA C 60.2 0.20 1 640 . 85 GLU HA H 4.04 0.01 1 641 . 85 GLU CB C 28.7 0.20 1 642 . 85 GLU HB2 H 2.17 0.01 2 643 . 85 GLU HB3 H 2.06 0.01 2 644 . 85 GLU CG C 36.5 0.20 1 645 . 85 GLU HG2 H 2.41 0.01 2 646 . 85 GLU C C 178.6 0.10 1 647 . 86 ALA N N 121.5 0.25 1 648 . 86 ALA H H 8.26 0.01 1 649 . 86 ALA CA C 54.7 0.20 1 650 . 86 ALA HA H 4.28 0.01 1 651 . 86 ALA CB C 17.4 0.20 1 652 . 86 ALA HB H 1.54 0.01 1 653 . 86 ALA C C 181.0 0.10 1 654 . 87 ALA N N 122.6 0.25 1 655 . 87 ALA H H 8.22 0.01 1 656 . 87 ALA CA C 54.9 0.20 1 657 . 87 ALA HA H 3.98 0.01 1 658 . 87 ALA CB C 16.7 0.20 1 659 . 87 ALA HB H 1.41 0.01 1 660 . 87 ALA C C 178.8 0.10 1 661 . 88 GLU N N 118.4 0.25 1 662 . 88 GLU H H 8.60 0.01 1 663 . 88 GLU CA C 60.3 0.20 1 664 . 88 GLU HA H 3.68 0.01 1 665 . 88 GLU CB C 29.7 0.20 1 666 . 88 GLU HB2 H 2.11 0.01 2 667 . 88 GLU HB3 H 2.01 0.01 2 668 . 88 GLU CG C 36.5 0.20 1 669 . 88 GLU HG2 H 2.28 0.01 2 670 . 88 GLU HG3 H 2.21 0.01 2 671 . 88 GLU C C 178.8 0.10 1 672 . 89 GLU N N 119.1 0.25 1 673 . 89 GLU H H 8.38 0.01 1 674 . 89 GLU CA C 59.0 0.20 1 675 . 89 GLU HA H 4.06 0.01 1 676 . 89 GLU CB C 29.0 0.20 1 677 . 89 GLU HB2 H 2.20 0.01 2 678 . 89 GLU HB3 H 2.14 0.01 2 679 . 89 GLU CG C 35.6 0.20 1 680 . 89 GLU HG2 H 2.44 0.01 2 681 . 89 GLU HG3 H 2.33 0.01 2 682 . 89 GLU C C 179.8 0.10 1 683 . 90 SER N N 115.4 0.25 1 684 . 90 SER H H 8.07 0.01 1 685 . 90 SER CA C 61.3 0.20 1 686 . 90 SER HA H 4.31 0.01 1 687 . 90 SER CB C 63.0 0.20 1 688 . 90 SER HB2 H 4.09 0.01 2 689 . 90 SER HB3 H 3.97 0.01 2 690 . 90 SER C C 176.4 0.10 1 691 . 91 LEU N N 119.6 0.25 1 692 . 91 LEU H H 7.83 0.01 1 693 . 91 LEU CA C 55.6 0.20 1 694 . 91 LEU HA H 4.24 0.01 1 695 . 91 LEU CB C 41.4 0.20 1 696 . 91 LEU HB2 H 1.95 0.01 2 697 . 91 LEU HB3 H 1.86 0.01 2 698 . 91 LEU HG H 1.49 0.01 1 699 . 91 LEU HD1 H 0.86 0.01 2 700 . 91 LEU HD2 H 0.79 0.01 2 701 . 91 LEU C C 176.6 0.10 1 702 . 92 SER N N 111.9 0.25 1 703 . 92 SER H H 7.63 0.01 1 704 . 92 SER CA C 60.2 0.20 1 705 . 92 SER HA H 4.12 0.01 1 706 . 92 SER CB C 63.3 0.20 1 707 . 92 SER HB2 H 4.01 0.01 2 708 . 92 SER C C 175.3 0.10 1 709 . 93 GLY N N 109.0 0.25 1 710 . 93 GLY H H 7.97 0.01 1 711 . 93 GLY CA C 45.1 0.20 1 712 . 93 GLY HA2 H 4.13 0.01 2 713 . 93 GLY HA3 H 3.92 0.01 2 714 . 93 GLY C C 174.5 0.10 1 715 . 94 ILE N N 122.9 0.25 1 716 . 94 ILE H H 7.54 0.01 1 717 . 94 ILE CA C 62.0 0.20 1 718 . 94 ILE HA H 3.80 0.01 1 719 . 94 ILE CB C 38.0 0.20 1 720 . 94 ILE HB H 1.73 0.01 1 721 . 94 ILE CG2 C 17.2 0.20 2 722 . 94 ILE HG2 H 0.91 0.01 1 723 . 94 ILE CD1 C 14.9 0.20 1 724 . 94 ILE HD1 H 0.78 0.01 1 725 . 94 ILE C C 176.3 0.10 1 726 . 95 GLU N N 130.8 0.25 1 727 . 95 GLU H H 8.87 0.01 1 728 . 95 GLU CA C 57.8 0.20 1 729 . 95 GLU HA H 4.12 0.01 1 730 . 95 GLU CB C 29.0 0.20 1 731 . 95 GLU HB2 H 2.07 0.01 2 732 . 95 GLU CG C 35.9 0.20 1 733 . 95 GLU HG2 H 2.38 0.01 2 734 . 95 GLU C C 176.6 0.10 1 735 . 96 GLY N N 112.3 0.25 1 736 . 96 GLY H H 8.79 0.01 1 737 . 96 GLY CA C 44.7 0.20 1 738 . 96 GLY HA2 H 4.39 0.01 2 739 . 96 GLY HA3 H 3.71 0.01 2 740 . 96 GLY C C 173.9 0.10 1 741 . 97 VAL N N 120.7 0.25 1 742 . 97 VAL H H 7.60 0.01 1 743 . 97 VAL CA C 62.0 0.20 1 744 . 97 VAL HA H 4.23 0.01 1 745 . 97 VAL CB C 32.7 0.20 1 746 . 97 VAL HB H 2.23 0.01 1 747 . 97 VAL CG1 C 22.6 0.20 1 748 . 97 VAL HG1 H 0.89 0.01 2 749 . 97 VAL CG2 C 22.0 0.20 1 750 . 97 VAL HG2 H 0.77 0.01 2 751 . 97 VAL C C 176.2 0.10 1 752 . 98 SER N N 122.4 0.25 1 753 . 98 SER H H 9.25 0.01 1 754 . 98 SER CA C 58.5 0.20 1 755 . 98 SER HA H 4.65 0.01 1 756 . 98 SER CB C 64.2 0.20 1 757 . 98 SER HB2 H 3.82 0.01 2 758 . 98 SER HB3 H 3.68 0.01 2 759 . 98 SER C C 174.6 0.10 1 760 . 99 ASN N N 116.6 0.25 1 761 . 99 ASN H H 7.56 0.01 1 762 . 99 ASN CA C 53.1 0.20 1 763 . 99 ASN HA H 4.96 0.01 1 764 . 99 ASN CB C 41.6 0.20 1 765 . 99 ASN HB2 H 2.78 0.01 2 766 . 99 ASN HD21 H 7.56 0.01 2 767 . 99 ASN HD22 H 6.92 0.01 2 768 . 99 ASN C C 172.1 0.10 1 769 . 100 ILE N N 119.4 0.25 1 770 . 100 ILE H H 8.16 0.01 1 771 . 100 ILE CA C 58.7 0.20 1 772 . 100 ILE HA H 5.29 0.01 1 773 . 100 ILE CB C 40.5 0.20 1 774 . 100 ILE HB H 1.76 0.01 1 775 . 100 ILE CG2 C 18.9 0.20 2 776 . 100 ILE HG2 H 0.87 0.01 1 777 . 100 ILE CG1 C 26.7 0.20 2 778 . 100 ILE HG12 H 1.46 0.01 2 779 . 100 ILE HG13 H 1.13 0.01 2 780 . 100 ILE CD1 C 14.7 0.20 1 781 . 100 ILE HD1 H 0.73 0.01 1 782 . 100 ILE C C 174.9 0.10 1 783 . 101 GLU N N 123.3 0.25 1 784 . 101 GLU H H 8.54 0.01 1 785 . 101 GLU CA C 54.6 0.20 1 786 . 101 GLU HA H 4.70 0.01 1 787 . 101 GLU CB C 33.6 0.20 1 788 . 101 GLU HB2 H 1.92 0.01 2 789 . 101 GLU HB3 H 2.01 0.01 2 790 . 101 GLU HG2 H 2.24 0.01 2 791 . 101 GLU C C 174.6 0.10 1 792 . 102 VAL N N 127.7 0.25 1 793 . 102 VAL H H 9.16 0.01 1 794 . 102 VAL CA C 62.4 0.20 1 795 . 102 VAL HA H 4.58 0.01 1 796 . 102 VAL CB C 30.7 0.20 1 797 . 102 VAL HB H 2.11 0.01 1 798 . 102 VAL CG1 C 21.1 0.20 1 799 . 102 VAL HG1 H 0.91 0.01 1 800 . 102 VAL CG2 C 20.6 0.20 1 801 . 102 VAL HG2 H 0.91 0.01 1 802 . 102 VAL C C 177.0 0.10 1 803 . 103 THR N N 120.8 0.25 1 804 . 103 THR H H 8.89 0.01 1 805 . 103 THR CA C 61.8 0.20 1 806 . 103 THR HA H 4.48 0.01 1 807 . 103 THR CB C 69.0 0.20 1 808 . 103 THR HB H 4.29 0.01 1 809 . 103 THR CG2 C 22.3 0.20 1 810 . 103 THR HG2 H 1.18 0.01 1 811 . 103 THR C C 174.9 0.10 1 812 . 104 ASP N N 120.1 0.25 1 813 . 104 ASP H H 7.62 0.01 1 814 . 104 ASP CA C 54.6 0.20 1 815 . 104 ASP HA H 4.82 0.01 1 816 . 104 ASP CB C 44.3 0.20 1 817 . 104 ASP HB2 H 2.82 0.01 2 818 . 104 ASP HB3 H 2.48 0.01 2 819 . 104 ASP C C 173.8 0.10 1 820 . 105 VAL N N 122.8 0.25 1 821 . 105 VAL H H 8.03 0.01 1 822 . 105 VAL CA C 62.3 0.20 1 823 . 105 VAL HA H 4.71 0.01 1 824 . 105 VAL CB C 34.1 0.20 1 825 . 105 VAL HB H 1.97 0.01 1 826 . 105 VAL CG1 C 21.5 0.20 1 827 . 105 VAL HG1 H 0.93 0.01 2 828 . 105 VAL CG2 C 21.0 0.20 1 829 . 105 VAL HG2 H 0.83 0.01 2 830 . 105 VAL C C 174.9 0.10 1 831 . 106 ARG N N 125.0 0.25 1 832 . 106 ARG H H 8.80 0.01 1 833 . 106 ARG CA C 54.1 0.20 1 834 . 106 ARG HA H 4.84 0.01 1 835 . 106 ARG CB C 32.6 0.20 1 836 . 106 ARG HB2 H 2.00 0.01 2 837 . 106 ARG CG C 25.6 0.20 1 838 . 106 ARG HG2 H 1.78 0.01 2 839 . 106 ARG HG3 H 1.59 0.01 2 840 . 106 ARG CD C 43.1 0.20 1 841 . 106 ARG HD2 H 3.20 0.01 2 842 . 106 ARG C C 174.0 0.10 1 843 . 107 ARG N N 121.9 0.25 1 844 . 107 ARG H H 8.59 0.01 1 845 . 107 ARG CA C 55.5 0.20 1 846 . 107 ARG HA H 4.75 0.01 1 847 . 107 ARG CB C 30.7 0.20 1 848 . 107 ARG HB2 H 1.82 0.01 2 849 . 107 ARG HB3 H 1.75 0.01 2 850 . 107 ARG CG C 27.4 0.20 1 851 . 107 ARG HG2 H 1.68 0.01 2 852 . 107 ARG HG3 H 1.58 0.01 2 853 . 107 ARG CD C 42.9 0.20 1 854 . 107 ARG HD2 H 3.27 0.01 2 855 . 107 ARG HD3 H 3.18 0.01 2 856 . 107 ARG C C 176.5 0.10 1 857 . 108 LEU N N 126.4 0.25 1 858 . 108 LEU H H 8.60 0.01 1 859 . 108 LEU CA C 55.2 0.20 1 860 . 108 LEU HA H 4.33 0.01 1 861 . 108 LEU CB C 41.8 0.20 1 862 . 108 LEU HB2 H 1.58 0.01 2 863 . 108 LEU CD1 C 24.7 0.20 2 864 . 108 LEU HD1 H 0.76 0.01 1 865 . 108 LEU CD2 C 23.6 0.20 2 866 . 108 LEU HD2 H 0.76 0.01 1 867 . 108 LEU C C 175.8 0.10 1 868 . 109 MET N N 127.5 0.25 1 869 . 109 MET H H 7.93 0.01 1 870 . 109 MET CA C 56.5 0.20 1 871 . 109 MET HA H 4.40 0.01 1 872 . 109 MET CB C 34.1 0.20 1 873 . 109 MET HB2 H 1.99 0.01 2 874 . 109 MET HG2 H 2.56 0.01 2 875 . 109 MET HG3 H 2.51 0.01 2 876 . 109 MET HE H 2.15 0.01 1 stop_ save_