data_4793 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure-based Functional Classification of Hypothetical Protein MTH538 from Methanobacterium thermoautotrophicum ; _BMRB_accession_number 4793 _BMRB_flat_file_name bmr4793.str _Entry_type original _Submission_date 2000-07-24 _Accession_date 2000-07-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cort J. R. . 2 Yee A. . . 3 Edwards A. M. . 4 Arrowsmith C. H. . 5 Kennedy M. A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 549 "13C chemical shifts" 422 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-02-15 original author . stop_ _Original_release_date 2001-02-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure-based Functional Classification of Hypothetical Protein MTH538 from Methanobacterium thermoautotrophicum ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20422734 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cort J. R. . 2 Yee A. . . 3 Edwards A. M. . 4 Arrowsmith C. H. . 5 Kennedy M. A. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of Molecular Biology' _Journal_volume 302 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 189 _Page_last 203 _Year 2000 _Details . loop_ _Keyword 'Structural genomics' CheY AmiR flavodoxin '(a/b) doubly wound fold' stop_ save_ ################################## # Molecular system description # ################################## save_system_MTH538 _Saveframe_category molecular_system _Mol_system_name 'HYPOTHETICAL PROTEIN MTH538' _Abbreviation_common MTH538 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HYPOTHETICAL PROTEIN MTH538' $MTH538 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'possible signal transduction protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MTH538 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'HYPOTHETICAL PROTEIN MTH538' _Abbreviation_common MTH538 _Molecular_mass 14660 _Mol_thiol_state 'all free' _Details ; The molecule studied contains a N-terminal 21 residue extension, MGSSHHHHHHSSGLVPRGSHM, whose presence does not impact the amide nitrogen and hydrogen chemical shifts of the rest of the protein. ; ############################## # Polymer residue sequence # ############################## _Residue_count 132 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MVTAEIRLYITEGEVEDYRV FLERLEQSGLEWRPATPEDA DAVIVLAGLWGTRRDEILGA VDLARKSSKPIITVRPYGLE NVPPELEAVSSEVVGWNPHC IRDALEDALDVI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -21 MET 2 -20 GLY 3 -19 SER 4 -18 SER 5 -17 HIS 6 -16 HIS 7 -15 HIS 8 -14 HIS 9 -13 HIS 10 -12 HIS 11 -11 SER 12 -10 SER 13 -9 GLY 14 -8 LEU 15 -7 VAL 16 -6 PRO 17 -5 ARG 18 -4 GLY 19 -3 SER 20 -2 HIS 21 -1 MET 22 1 VAL 23 2 THR 24 3 ALA 25 4 GLU 26 5 ILE 27 6 ARG 28 7 LEU 29 8 TYR 30 9 ILE 31 10 THR 32 11 GLU 33 12 GLY 34 13 GLU 35 14 VAL 36 15 GLU 37 16 ASP 38 17 TYR 39 18 ARG 40 19 VAL 41 20 PHE 42 21 LEU 43 22 GLU 44 23 ARG 45 24 LEU 46 25 GLU 47 26 GLN 48 27 SER 49 28 GLY 50 29 LEU 51 30 GLU 52 31 TRP 53 32 ARG 54 33 PRO 55 34 ALA 56 35 THR 57 36 PRO 58 37 GLU 59 38 ASP 60 39 ALA 61 40 ASP 62 41 ALA 63 42 VAL 64 43 ILE 65 44 VAL 66 45 LEU 67 46 ALA 68 47 GLY 69 48 LEU 70 49 TRP 71 50 GLY 72 51 THR 73 52 ARG 74 53 ARG 75 54 ASP 76 55 GLU 77 56 ILE 78 57 LEU 79 58 GLY 80 59 ALA 81 60 VAL 82 61 ASP 83 62 LEU 84 63 ALA 85 64 ARG 86 65 LYS 87 66 SER 88 67 SER 89 68 LYS 90 69 PRO 91 70 ILE 92 71 ILE 93 72 THR 94 73 VAL 95 74 ARG 96 75 PRO 97 76 TYR 98 77 GLY 99 78 LEU 100 79 GLU 101 80 ASN 102 81 VAL 103 82 PRO 104 83 PRO 105 84 GLU 106 85 LEU 107 86 GLU 108 87 ALA 109 88 VAL 110 89 SER 111 90 SER 112 91 GLU 113 92 VAL 114 93 VAL 115 94 GLY 116 95 TRP 117 96 ASN 118 97 PRO 119 98 HIS 120 99 CYS 121 100 ILE 122 101 ARG 123 102 ASP 124 103 ALA 125 104 LEU 126 105 GLU 127 106 ASP 128 107 ALA 129 108 LEU 130 109 ASP 131 110 VAL 132 111 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-06-11 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 1EIW "Solution Structure Of Hypothetical Protein Mth538 From Methanobacterium Thermoautotrophicum" 84.09 111 100.00 100.00 1.26e-71 GB AAB85044 "unknown [Methanothermobacter thermautotrophicus str. Delta H]" 84.09 111 99.10 100.00 2.86e-71 REF NP_275681 "hypothetical protein MTH538 [Methanothermobacter thermautotrophicus str. Delta H]" 84.09 111 99.10 100.00 2.86e-71 REF WP_010876177 "hypothetical protein [Methanothermobacter thermautotrophicus]" 84.09 111 99.10 100.00 2.86e-71 SP O26638 "RecName: Full=Protein MTH_538 [Methanothermobacter thermautotrophicus str. Delta H]" 84.09 111 99.10 100.00 2.86e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic _Details $MTH538 . 2166 Archaea Euryarchaeota Methanobacterium thermoautotrophicum 'delta H' MTH538 'cloned from genomic DNA' 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 $MTH538 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) PET15B 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 $MTH538 . mM 1.5 2.0 '[U-13C; U-15N]' salt 150 mM . . . 'phosphate buffer' 25 mM . . . DTT 5 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.1 loop_ _Task 'structure solution' stop_ _Details Brunger save_ save_FELIX _Saveframe_category software _Name FELIX _Version 98 loop_ _Task processing stop_ _Details MSI save_ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Task collection stop_ _Details Varian save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'UNITY plus' _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_4D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C-separated_NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated_NOESY' _Sample_label . save_ save_HMQC-J_3 _Saveframe_category NMR_applied_experiment _Experiment_name HMQC-J _Sample_label . save_ save_3D_13C,15N-simultaneous_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C,15N-simultaneous NOESY' _Sample_label . save_ save_1H-15N_HSQC_D2O_exchange_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC D2O exchange' _Sample_label . save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCACONNH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONNH _Sample_label . save_ save_CBCACOCAHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACOCAHA _Sample_label . save_ save_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HCC-TOCSY-NNH_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY-NNH _Sample_label . save_ save_CCC-TOCSY-NNH_12 _Saveframe_category NMR_applied_experiment _Experiment_name CCC-TOCSY-NNH _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C-separated_NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated_NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HMQC-J _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C,15N-simultaneous NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC D2O exchange' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACOCAHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY-NNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name CCC-TOCSY-NNH _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 0.2 n/a temperature 298 1 K 'ionic strength' 150 . mM 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 . . . . DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '4D 13C-separated_NOESY' '3D 15N-separated_NOESY' HMQC-J '3D 13C,15N-simultaneous NOESY' '1H-15N HSQC D2O exchange' HNCO HNCACB CBCACONNH CBCACOCAHA HCCH-TOCSY HCC-TOCSY-NNH CCC-TOCSY-NNH stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'HYPOTHETICAL PROTEIN MTH538' _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 . 22 VAL CA C 62.5 0.1 1 2 . 23 THR H H 8.23 0.02 1 3 . 23 THR HA H 4.44 0.02 1 4 . 23 THR HB H 4.29 0.02 1 5 . 23 THR HG2 H 1.23 0.02 1 6 . 23 THR C C 173.7 0.1 1 7 . 23 THR CA C 61.5 0.1 1 8 . 23 THR CB C 70.0 0.1 1 9 . 23 THR N N 117.7 0.05 1 10 . 24 ALA H H 8.23 0.02 1 11 . 24 ALA HA H 4.38 0.02 1 12 . 24 ALA HB H 1.41 0.02 1 13 . 24 ALA C C 176.6 0.1 1 14 . 24 ALA CA C 52.2 0.1 1 15 . 24 ALA CB C 19.9 0.1 1 16 . 24 ALA N N 126.2 0.05 1 17 . 25 GLU H H 8.29 0.02 1 18 . 25 GLU HA H 4.26 0.02 1 19 . 25 GLU CA C 56.3 0.1 1 20 . 25 GLU CB C 30.8 0.1 1 21 . 25 GLU CG C 36.3 0.1 1 22 . 25 GLU N N 119.6 0.05 1 23 . 26 ILE H H 8.31 0.02 1 24 . 26 ILE HA H 4.34 0.02 1 25 . 26 ILE HB H 1.92 0.02 1 26 . 26 ILE HG12 H 1.30 0.02 2 27 . 26 ILE HG13 H 1.79 0.02 2 28 . 26 ILE HG2 H 1.01 0.02 1 29 . 26 ILE HD1 H 0.93 0.02 1 30 . 26 ILE CA C 61.4 0.1 1 31 . 26 ILE CB C 40.2 0.1 1 32 . 26 ILE CG1 C 27.7 0.1 1 33 . 26 ILE CG2 C 17.7 0.1 1 34 . 26 ILE CD1 C 14.5 0.1 1 35 . 26 ILE N N 123.3 0.05 1 36 . 27 ARG H H 9.54 0.02 1 37 . 27 ARG HA H 5.38 0.02 1 38 . 27 ARG HB2 H 1.62 0.02 2 39 . 27 ARG HB3 H 2.03 0.02 2 40 . 27 ARG HG2 H 1.58 0.02 2 41 . 27 ARG HG3 H 1.84 0.02 2 42 . 27 ARG HD2 H 3.19 0.02 2 43 . 27 ARG HD3 H 3.28 0.02 2 44 . 27 ARG C C 176.9 0.1 1 45 . 27 ARG CA C 54.7 0.1 1 46 . 27 ARG CB C 30.9 0.1 1 47 . 27 ARG CG C 27.5 0.1 1 48 . 27 ARG N N 127.1 0.05 1 49 . 28 LEU H H 9.08 0.02 1 50 . 28 LEU HA H 5.37 0.02 1 51 . 28 LEU HB2 H 1.10 0.02 2 52 . 28 LEU HB3 H 1.95 0.02 2 53 . 28 LEU HG H 1.75 0.02 1 54 . 28 LEU HD1 H 0.43 0.02 2 55 . 28 LEU HD2 H 0.83 0.02 2 56 . 28 LEU C C 175.9 0.1 1 57 . 28 LEU CA C 53.6 0.1 1 58 . 28 LEU CB C 45.6 0.1 1 59 . 28 LEU CG C 27.0 0.1 1 60 . 28 LEU CD1 C 25.0 0.1 2 61 . 28 LEU CD2 C 25.2 0.1 2 62 . 28 LEU N N 123.7 0.05 1 63 . 29 TYR H H 7.72 0.02 1 64 . 29 TYR HA H 5.18 0.02 1 65 . 29 TYR HB2 H 2.58 0.02 2 66 . 29 TYR HB3 H 2.95 0.02 2 67 . 29 TYR HD1 H 7.31 0.02 1 68 . 29 TYR HD2 H 7.31 0.02 1 69 . 29 TYR HE1 H 6.70 0.02 1 70 . 29 TYR HE2 H 6.70 0.02 1 71 . 29 TYR C C 173.0 0.1 1 72 . 29 TYR CA C 58.0 0.1 1 73 . 29 TYR CB C 39.3 0.1 1 74 . 29 TYR CD1 C 132.9 0.1 1 75 . 29 TYR CD2 C 132.9 0.1 1 76 . 29 TYR CE1 C 118.6 0.1 1 77 . 29 TYR CE2 C 118.6 0.1 1 78 . 29 TYR N N 124.0 0.05 1 79 . 30 ILE H H 7.39 0.02 1 80 . 30 ILE HA H 4.57 0.02 1 81 . 30 ILE HB H 1.56 0.02 1 82 . 30 ILE HG12 H 0.61 0.02 2 83 . 30 ILE HG13 H 1.31 0.02 2 84 . 30 ILE HG2 H 0.75 0.02 1 85 . 30 ILE HD1 H 0.48 0.02 1 86 . 30 ILE C C 175.5 0.1 1 87 . 30 ILE CA C 59.1 0.1 1 88 . 30 ILE CB C 41.2 0.1 1 89 . 30 ILE CG1 C 28.0 0.1 1 90 . 30 ILE CG2 C 17.7 0.1 1 91 . 30 ILE CD1 C 15.1 0.1 1 92 . 30 ILE N N 128.3 0.05 1 93 . 31 THR H H 7.94 0.02 1 94 . 31 THR HA H 3.84 0.02 1 95 . 31 THR HB H 4.17 0.02 1 96 . 31 THR HG1 H 4.91 0.02 1 97 . 31 THR HG2 H 1.55 0.02 1 98 . 31 THR C C 174.6 0.1 1 99 . 31 THR CA C 59.7 0.1 1 100 . 31 THR CB C 70.1 0.1 1 101 . 31 THR CG2 C 21.2 0.1 1 102 . 31 THR N N 115.3 0.05 1 103 . 32 GLU H H 8.03 0.02 1 104 . 32 GLU HA H 3.72 0.02 1 105 . 32 GLU HB2 H 1.57 0.02 2 106 . 32 GLU HB3 H 1.73 0.02 2 107 . 32 GLU HG2 H 1.94 0.02 2 108 . 32 GLU C C 176.0 0.1 1 109 . 32 GLU CA C 55.3 0.1 1 110 . 32 GLU CB C 31.4 0.1 1 111 . 32 GLU CG C 35.8 0.1 1 112 . 32 GLU N N 125.0 0.05 1 113 . 33 GLY H H 6.12 0.02 1 114 . 33 GLY HA2 H 3.90 0.02 2 115 . 33 GLY HA3 H 4.03 0.02 2 116 . 33 GLY C C 172.0 0.1 1 117 . 33 GLY CA C 45.2 0.1 1 118 . 33 GLY N N 104.1 0.05 1 119 . 34 GLU H H 8.76 0.02 1 120 . 34 GLU HA H 4.53 0.02 1 121 . 34 GLU HB2 H 1.93 0.02 2 122 . 34 GLU HB3 H 2.18 0.02 2 123 . 34 GLU HG2 H 2.26 0.02 2 124 . 34 GLU C C 176.6 0.1 1 125 . 34 GLU CA C 56.5 0.1 1 126 . 34 GLU CB C 29.5 0.1 1 127 . 34 GLU CG C 36.6 0.1 1 128 . 34 GLU N N 120.0 0.05 1 129 . 35 VAL H H 7.22 0.02 1 130 . 35 VAL HA H 4.45 0.02 1 131 . 35 VAL HB H 2.25 0.02 1 132 . 35 VAL HG1 H 1.01 0.02 2 133 . 35 VAL HG2 H 1.11 0.02 2 134 . 35 VAL C C 177.1 0.1 1 135 . 35 VAL CA C 61.0 0.1 1 136 . 35 VAL CB C 34.2 0.1 1 137 . 35 VAL CG1 C 20.9 0.1 2 138 . 35 VAL CG2 C 21.5 0.1 2 139 . 35 VAL N N 116.0 0.05 1 140 . 36 GLU H H 9.13 0.02 1 141 . 36 GLU HA H 4.09 0.02 1 142 . 36 GLU HB2 H 1.93 0.02 2 143 . 36 GLU HB3 H 2.08 0.02 2 144 . 36 GLU HG2 H 2.12 0.02 2 145 . 36 GLU HG3 H 2.21 0.02 2 146 . 36 GLU C C 175.6 0.1 1 147 . 36 GLU CA C 59.7 0.1 1 148 . 36 GLU CB C 29.7 0.1 1 149 . 36 GLU CG C 35.8 0.1 1 150 . 36 GLU N N 126.3 0.05 1 151 . 37 ASP H H 9.21 0.02 1 152 . 37 ASP HA H 3.94 0.02 1 153 . 37 ASP HB2 H 2.30 0.02 2 154 . 37 ASP HB3 H 2.94 0.02 2 155 . 37 ASP C C 176.9 0.1 1 156 . 37 ASP CA C 56.9 0.1 1 157 . 37 ASP CB C 41.2 0.1 1 158 . 37 ASP N N 111.9 0.05 1 159 . 38 TYR H H 7.35 0.02 1 160 . 38 TYR HA H 4.31 0.02 1 161 . 38 TYR HB2 H 2.90 0.02 2 162 . 38 TYR HB3 H 3.32 0.02 2 163 . 38 TYR HD1 H 7.30 0.02 1 164 . 38 TYR HD2 H 7.30 0.02 1 165 . 38 TYR HE1 H 6.66 0.02 1 166 . 38 TYR HE2 H 6.66 0.02 1 167 . 38 TYR C C 175.2 0.1 1 168 . 38 TYR CA C 62.2 0.1 1 169 . 38 TYR CB C 38.5 0.1 1 170 . 38 TYR CD1 C 133.5 0.1 1 171 . 38 TYR CD2 C 133.5 0.1 1 172 . 38 TYR CE1 C 118.4 0.1 1 173 . 38 TYR CE2 C 118.4 0.1 1 174 . 38 TYR N N 114.7 0.05 1 175 . 39 ARG H H 7.72 0.02 1 176 . 39 ARG HA H 3.90 0.02 1 177 . 39 ARG HB2 H 1.92 0.02 2 178 . 39 ARG HB3 H 2.04 0.02 2 179 . 39 ARG HG2 H 1.70 0.02 2 180 . 39 ARG HG3 H 1.79 0.02 2 181 . 39 ARG C C 179.9 0.1 1 182 . 39 ARG CA C 59.7 0.1 1 183 . 39 ARG CB C 29.7 0.1 1 184 . 39 ARG CG C 27.5 0.1 1 185 . 39 ARG N N 118.1 0.05 1 186 . 40 VAL H H 8.30 0.02 1 187 . 40 VAL HA H 3.66 0.02 1 188 . 40 VAL HB H 1.55 0.02 1 189 . 40 VAL HG1 H 0.72 0.02 1 190 . 40 VAL HG2 H 0.54 0.02 1 191 . 40 VAL C C 178.2 0.1 1 192 . 40 VAL CA C 66.3 0.1 1 193 . 40 VAL CB C 31.3 0.1 1 194 . 40 VAL CG1 C 21.8 0.1 1 195 . 40 VAL CG2 C 22.6 0.1 1 196 . 40 VAL N N 118.3 0.05 1 197 . 41 PHE H H 8.80 0.02 1 198 . 41 PHE HA H 4.09 0.02 1 199 . 41 PHE HB2 H 3.00 0.02 2 200 . 41 PHE HB3 H 3.61 0.02 2 201 . 41 PHE HD1 H 7.52 0.02 2 202 . 41 PHE HE1 H 6.64 0.02 2 203 . 41 PHE HZ H 6.51 0.02 1 204 . 41 PHE C C 177.0 0.1 1 205 . 41 PHE CA C 64.0 0.1 1 206 . 41 PHE CB C 39.1 0.1 1 207 . 41 PHE CE1 C 131.0 0.1 2 208 . 41 PHE CZ C 127.8 0.1 1 209 . 41 PHE N N 122.5 0.05 1 210 . 42 LEU H H 7.78 0.02 1 211 . 42 LEU HA H 3.69 0.02 1 212 . 42 LEU HB2 H 1.54 0.02 1 213 . 42 LEU HB3 H 1.81 0.02 1 214 . 42 LEU HG H 1.60 0.02 1 215 . 42 LEU HD1 H 0.71 0.02 2 216 . 42 LEU HD2 H 0.82 0.02 2 217 . 42 LEU C C 180.6 0.1 1 218 . 42 LEU CA C 58.6 0.1 1 219 . 42 LEU CB C 40.9 0.1 1 220 . 42 LEU CG C 27.4 0.1 1 221 . 42 LEU CD1 C 25.0 0.1 2 222 . 42 LEU CD2 C 22.6 0.1 2 223 . 42 LEU N N 117.5 0.05 1 224 . 43 GLU H H 7.50 0.02 1 225 . 43 GLU HA H 4.16 0.02 1 226 . 43 GLU HB2 H 2.20 0.02 2 227 . 43 GLU HB3 H 2.34 0.02 2 228 . 43 GLU HG2 H 2.32 0.02 2 229 . 43 GLU HG3 H 2.54 0.02 2 230 . 43 GLU C C 179.4 0.1 1 231 . 43 GLU CA C 59.8 0.1 1 232 . 43 GLU CB C 29.4 0.1 1 233 . 43 GLU CG C 36.5 0.1 1 234 . 43 GLU N N 119.9 0.05 1 235 . 44 ARG H H 8.44 0.02 1 236 . 44 ARG HA H 4.15 0.02 1 237 . 44 ARG HB2 H 2.21 0.02 2 238 . 44 ARG HB3 H 2.31 0.02 2 239 . 44 ARG HG2 H 2.00 0.02 2 240 . 44 ARG C C 179.5 0.1 1 241 . 44 ARG CA C 57.0 0.1 1 242 . 44 ARG CB C 29.1 0.1 1 243 . 44 ARG N N 119.1 0.05 1 244 . 45 LEU H H 8.35 0.02 1 245 . 45 LEU HA H 3.60 0.02 1 246 . 45 LEU HB2 H 1.00 0.02 2 247 . 45 LEU HB3 H 1.18 0.02 2 248 . 45 LEU HG H 0.67 0.02 1 249 . 45 LEU HD1 H -0.25 0.02 2 250 . 45 LEU HD2 H -0.20 0.02 2 251 . 45 LEU C C 181.5 0.1 1 252 . 45 LEU CA C 57.1 0.1 1 253 . 45 LEU CB C 41.1 0.1 1 254 . 45 LEU CG C 25.7 0.1 1 255 . 45 LEU CD1 C 23.3 0.1 2 256 . 45 LEU CD2 C 25.6 0.1 2 257 . 45 LEU N N 119.2 0.05 1 258 . 46 GLU H H 7.92 0.02 1 259 . 46 GLU HA H 4.30 0.02 1 260 . 46 GLU HB2 H 2.33 0.02 2 261 . 46 GLU HG2 H 2.38 0.02 2 262 . 46 GLU HG3 H 2.46 0.02 2 263 . 46 GLU C C 179.7 0.1 1 264 . 46 GLU CA C 60.0 0.1 1 265 . 46 GLU CB C 29.3 0.1 1 266 . 46 GLU CG C 36.2 0.1 1 267 . 46 GLU N N 122.6 0.05 1 268 . 47 GLN H H 8.22 0.02 1 269 . 47 GLN HA H 4.13 0.02 1 270 . 47 GLN HB2 H 2.07 0.02 2 271 . 47 GLN HB3 H 2.22 0.02 2 272 . 47 GLN HG2 H 2.51 0.02 2 273 . 47 GLN HG3 H 2.68 0.02 2 274 . 47 GLN HE21 H 6.69 0.02 2 275 . 47 GLN HE22 H 7.50 0.02 2 276 . 47 GLN C C 178.2 0.1 1 277 . 47 GLN CA C 58.0 0.1 1 278 . 47 GLN CB C 28.6 0.1 1 279 . 47 GLN CG C 33.9 0.1 1 280 . 47 GLN N N 118.5 0.05 1 281 . 47 GLN NE2 N 109.8 0.05 1 282 . 48 SER H H 7.96 0.02 1 283 . 48 SER HA H 4.01 0.02 1 284 . 48 SER HB2 H 3.85 0.02 2 285 . 48 SER HB3 H 3.97 0.02 2 286 . 48 SER C C 175.4 0.1 1 287 . 48 SER CA C 60.8 0.1 1 288 . 48 SER CB C 64.7 0.1 1 289 . 48 SER N N 114.1 0.05 1 290 . 49 GLY H H 7.58 0.02 1 291 . 49 GLY HA2 H 3.86 0.02 2 292 . 49 GLY HA3 H 4.22 0.02 2 293 . 49 GLY C C 173.8 0.1 1 294 . 49 GLY CA C 45.8 0.1 1 295 . 49 GLY N N 109.7 0.05 1 296 . 50 LEU H H 7.54 0.02 1 297 . 50 LEU HA H 4.17 0.02 1 298 . 50 LEU HB2 H 1.36 0.02 2 299 . 50 LEU HB3 H 1.42 0.02 2 300 . 50 LEU HG H 1.54 0.02 1 301 . 50 LEU HD1 H 0.79 0.02 2 302 . 50 LEU HD2 H 0.90 0.02 2 303 . 50 LEU C C 176.2 0.1 1 304 . 50 LEU CA C 55.4 0.1 1 305 . 50 LEU CB C 43.6 0.1 1 306 . 50 LEU CG C 25.8 0.1 1 307 . 50 LEU CD1 C 25.8 0.1 2 308 . 50 LEU CD2 C 25.2 0.1 2 309 . 50 LEU N N 121.4 0.05 1 310 . 51 GLU H H 8.75 0.02 1 311 . 51 GLU HA H 4.72 0.02 1 312 . 51 GLU HB2 H 2.07 0.02 2 313 . 51 GLU HG2 H 2.26 0.02 2 314 . 51 GLU HG3 H 2.34 0.02 2 315 . 51 GLU CA C 55.9 0.1 1 316 . 51 GLU CB C 29.6 0.1 1 317 . 51 GLU CG C 36.1 0.1 1 318 . 51 GLU N N 126.5 0.05 1 319 . 52 TRP H H 8.29 0.02 1 320 . 52 TRP HA H 5.85 0.02 1 321 . 52 TRP HB2 H 2.75 0.02 2 322 . 52 TRP HB3 H 3.32 0.02 2 323 . 52 TRP HD1 H 7.21 0.02 1 324 . 52 TRP HE1 H 10.02 0.02 1 325 . 52 TRP HE3 H 7.20 0.02 1 326 . 52 TRP HZ2 H 7.42 0.02 1 327 . 52 TRP HZ3 H 6.80 0.02 1 328 . 52 TRP HH2 H 7.11 0.02 1 329 . 52 TRP C C 173.5 0.1 1 330 . 52 TRP CA C 54.9 0.1 1 331 . 52 TRP CB C 32.4 0.1 1 332 . 52 TRP CD1 C 126.9 0.1 1 333 . 52 TRP CZ2 C 114.9 0.1 1 334 . 52 TRP CH2 C 124.3 0.1 1 335 . 52 TRP N N 123.3 0.05 1 336 . 52 TRP NE1 N 130.4 0.05 1 337 . 53 ARG H H 9.02 0.02 1 338 . 53 ARG HA H 4.30 0.02 1 339 . 53 ARG HB2 H 1.80 0.02 2 340 . 53 ARG HB3 H 2.05 0.02 2 341 . 53 ARG HG2 H 1.57 0.02 2 342 . 53 ARG HG3 H 1.68 0.02 2 343 . 53 ARG CA C 52.5 0.1 1 344 . 53 ARG CB C 32.6 0.1 1 345 . 53 ARG N N 118.7 0.05 1 346 . 54 PRO HA H 5.46 0.02 1 347 . 54 PRO HB2 H 2.14 0.02 2 348 . 54 PRO HB3 H 2.64 0.02 2 349 . 54 PRO HD2 H 3.15 0.02 2 350 . 54 PRO HD3 H 3.51 0.02 2 351 . 54 PRO C C 176.4 0.1 1 352 . 54 PRO CA C 62.9 0.1 1 353 . 54 PRO CB C 32.8 0.1 1 354 . 55 ALA H H 8.12 0.02 1 355 . 55 ALA HA H 4.88 0.02 1 356 . 55 ALA HB H 1.31 0.02 1 357 . 55 ALA C C 176.6 0.1 1 358 . 55 ALA CA C 50.6 0.1 1 359 . 55 ALA CB C 24.2 0.1 1 360 . 55 ALA N N 123.8 0.05 1 361 . 56 THR H H 8.29 0.02 1 362 . 56 THR HA H 4.74 0.02 1 363 . 56 THR HB H 4.69 0.02 1 364 . 56 THR HG2 H 1.42 0.02 1 365 . 56 THR C C 173.3 0.1 1 366 . 56 THR CA C 60.5 0.1 1 367 . 56 THR CB C 67.7 0.1 1 368 . 56 THR CG2 C 21.9 0.1 1 369 . 56 THR N N 110.7 0.05 1 370 . 57 PRO HA H 3.73 0.02 1 371 . 57 PRO HD2 H 3.38 0.02 2 372 . 57 PRO HD3 H 3.62 0.02 2 373 . 57 PRO C C 177.2 0.1 1 374 . 57 PRO CA C 66.4 0.1 1 375 . 57 PRO CB C 31.5 0.1 1 376 . 57 PRO CD C 50.0 0.1 1 377 . 58 GLU H H 8.44 0.02 1 378 . 58 GLU HA H 3.93 0.02 1 379 . 58 GLU HB2 H 1.92 0.02 2 380 . 58 GLU HG2 H 2.17 0.02 2 381 . 58 GLU HG3 H 2.31 0.02 2 382 . 58 GLU C C 177.6 0.1 1 383 . 58 GLU CA C 59.3 0.1 1 384 . 58 GLU CB C 29.4 0.1 1 385 . 58 GLU CG C 37.0 0.1 1 386 . 58 GLU N N 111.1 0.05 1 387 . 59 ASP H H 7.31 0.02 1 388 . 59 ASP HA H 4.75 0.02 1 389 . 59 ASP HB2 H 2.63 0.02 2 390 . 59 ASP HB3 H 2.73 0.02 2 391 . 59 ASP C C 176.0 0.1 1 392 . 59 ASP CA C 53.8 0.1 1 393 . 59 ASP CB C 42.1 0.1 1 394 . 59 ASP N N 118.0 0.05 1 395 . 60 ALA H H 7.50 0.02 1 396 . 60 ALA HA H 3.67 0.02 1 397 . 60 ALA HB H 1.46 0.02 1 398 . 60 ALA C C 177.0 0.1 1 399 . 60 ALA CA C 52.6 0.1 1 400 . 60 ALA CB C 20.3 0.1 1 401 . 60 ALA N N 121.4 0.05 1 402 . 61 ASP H H 9.37 0.02 1 403 . 61 ASP HA H 3.77 0.02 1 404 . 61 ASP HB2 H 2.78 0.02 2 405 . 61 ASP HB3 H 2.82 0.02 2 406 . 61 ASP C C 178.4 0.1 1 407 . 61 ASP CA C 56.9 0.1 1 408 . 61 ASP CB C 42.9 0.1 1 409 . 61 ASP N N 118.7 0.05 1 410 . 62 ALA H H 7.46 0.02 1 411 . 62 ALA HA H 4.59 0.02 1 412 . 62 ALA HB H 1.13 0.02 1 413 . 62 ALA C C 174.0 0.1 1 414 . 62 ALA CA C 51.2 0.1 1 415 . 62 ALA CB C 21.6 0.1 1 416 . 62 ALA N N 114.0 0.05 1 417 . 63 VAL H H 8.38 0.02 1 418 . 63 VAL HA H 4.74 0.02 1 419 . 63 VAL HB H 1.93 0.02 1 420 . 63 VAL HG1 H 0.91 0.02 2 421 . 63 VAL C C 173.1 0.1 1 422 . 63 VAL CA C 61.5 0.1 1 423 . 63 VAL CB C 34.0 0.1 1 424 . 63 VAL CG1 C 20.6 0.1 2 425 . 63 VAL N N 121.2 0.05 1 426 . 64 ILE H H 9.37 0.02 1 427 . 64 ILE HA H 5.01 0.02 1 428 . 64 ILE HB H 1.85 0.02 1 429 . 64 ILE HG12 H 1.11 0.02 2 430 . 64 ILE HG13 H 1.24 0.02 2 431 . 64 ILE HG2 H 0.16 0.02 1 432 . 64 ILE HD1 H 0.69 0.02 1 433 . 64 ILE C C 174.8 0.1 1 434 . 64 ILE CA C 58.3 0.1 1 435 . 64 ILE CB C 37.3 0.1 1 436 . 64 ILE CG1 C 27.2 0.1 1 437 . 64 ILE CG2 C 17.4 0.1 1 438 . 64 ILE CD1 C 12.9 0.1 1 439 . 64 ILE N N 127.9 0.05 1 440 . 65 VAL H H 8.93 0.02 1 441 . 65 VAL HA H 4.20 0.02 1 442 . 65 VAL HB H 2.21 0.02 1 443 . 65 VAL HG1 H 0.76 0.02 2 444 . 65 VAL HG2 H 0.81 0.02 2 445 . 65 VAL C C 174.8 0.1 1 446 . 65 VAL CA C 60.0 0.1 1 447 . 65 VAL CB C 33.1 0.1 1 448 . 65 VAL CG1 C 21.5 0.1 2 449 . 65 VAL CG2 C 23.4 0.1 2 450 . 65 VAL N N 125.8 0.05 1 451 . 66 LEU H H 7.61 0.02 1 452 . 66 LEU HA H 4.45 0.02 1 453 . 66 LEU HB2 H 1.55 0.02 2 454 . 66 LEU HB3 H 1.75 0.02 2 455 . 66 LEU HG H 1.00 0.02 1 456 . 66 LEU HD1 H 0.18 0.02 2 457 . 66 LEU HD2 H 1.36 0.02 2 458 . 66 LEU C C 176.5 0.1 1 459 . 66 LEU CA C 53.1 0.1 1 460 . 66 LEU CB C 39.2 0.1 1 461 . 66 LEU CG C 26.8 0.1 1 462 . 66 LEU CD1 C 22.3 0.1 2 463 . 66 LEU CD2 C 26.4 0.1 2 464 . 66 LEU N N 126.5 0.05 1 465 . 67 ALA H H 8.93 0.02 1 466 . 67 ALA HA H 3.82 0.02 1 467 . 67 ALA HB H 1.35 0.02 1 468 . 67 ALA C C 180.0 0.1 1 469 . 67 ALA CA C 55.0 0.1 1 470 . 67 ALA CB C 18.6 0.1 1 471 . 67 ALA N N 127.6 0.05 1 472 . 68 GLY H H 10.16 0.02 1 473 . 68 GLY HA2 H 4.16 0.02 2 474 . 68 GLY HA3 H 4.35 0.02 2 475 . 68 GLY CA C 45.9 0.1 1 476 . 68 GLY N N 107.7 0.05 1 477 . 69 LEU H H 8.19 0.02 1 478 . 69 LEU HA H 4.46 0.02 1 479 . 69 LEU HB2 H 1.77 0.02 2 480 . 69 LEU HB3 H 2.03 0.02 2 481 . 69 LEU HG H 1.56 0.02 1 482 . 69 LEU HD1 H 0.86 0.02 1 483 . 69 LEU HD2 H 0.86 0.02 1 484 . 69 LEU C C 176.5 0.1 1 485 . 69 LEU CA C 55.0 0.1 1 486 . 69 LEU CB C 42.5 0.1 1 487 . 69 LEU CD1 C 25.2 0.1 2 488 . 69 LEU CD2 C 26.1 0.1 2 489 . 69 LEU N N 119.6 0.05 1 490 . 70 TRP H H 7.96 0.02 1 491 . 70 TRP HA H 4.20 0.02 1 492 . 70 TRP HB2 H 3.39 0.02 1 493 . 70 TRP HB3 H 3.39 0.02 1 494 . 70 TRP HD1 H 7.27 0.02 1 495 . 70 TRP HE1 H 10.28 0.02 1 496 . 70 TRP HE3 H 7.38 0.02 1 497 . 70 TRP HZ2 H 7.47 0.02 1 498 . 70 TRP HZ3 H 6.86 0.02 1 499 . 70 TRP HH2 H 7.03 0.02 1 500 . 70 TRP C C 176.0 0.1 1 501 . 70 TRP CA C 60.5 0.1 1 502 . 70 TRP CB C 31.0 0.1 1 503 . 70 TRP CD1 C 128.2 0.1 1 504 . 70 TRP CE3 C 119.3 0.1 1 505 . 70 TRP CZ2 C 115.0 0.1 1 506 . 70 TRP CZ3 C 121.1 0.1 1 507 . 70 TRP CH2 C 123.8 0.1 1 508 . 70 TRP N N 122.7 0.05 1 509 . 70 TRP NE1 N 129.5 0.05 1 510 . 71 GLY H H 8.43 0.02 1 511 . 71 GLY HA2 H 3.96 0.02 1 512 . 71 GLY HA3 H 3.96 0.02 1 513 . 71 GLY CA C 46.4 0.1 1 514 . 71 GLY N N 101.3 0.05 1 515 . 72 THR H H 7.48 0.02 1 516 . 72 THR HA H 4.68 0.02 2 517 . 72 THR HB H 4.26 0.02 2 518 . 72 THR HG2 H 1.26 0.02 1 519 . 72 THR C C 176.5 0.1 1 520 . 72 THR CA C 62.0 0.1 1 521 . 72 THR CB C 71.4 0.1 1 522 . 72 THR CG2 C 22.2 0.1 1 523 . 72 THR N N 107.3 0.05 1 524 . 73 ARG H H 8.37 0.02 1 525 . 73 ARG HA H 5.09 0.02 1 526 . 73 ARG HB2 H 1.71 0.02 2 527 . 73 ARG HB3 H 2.36 0.02 2 528 . 73 ARG HG2 H 1.70 0.02 2 529 . 73 ARG HG3 H 1.88 0.02 2 530 . 73 ARG HD2 H 3.28 0.02 2 531 . 73 ARG HD3 H 3.39 0.02 2 532 . 73 ARG C C 175.4 0.1 1 533 . 73 ARG CA C 53.7 0.1 1 534 . 73 ARG CB C 29.9 0.1 1 535 . 73 ARG CG C 26.5 0.1 1 536 . 73 ARG CD C 42.9 0.1 1 537 . 73 ARG N N 122.8 0.05 1 538 . 74 ARG H H 7.54 0.02 1 539 . 74 ARG HA H 3.35 0.02 1 540 . 74 ARG HB2 H 1.24 0.02 2 541 . 74 ARG HB3 H 1.49 0.02 2 542 . 74 ARG HG2 H -0.02 0.02 2 543 . 74 ARG HG3 H 0.84 0.02 2 544 . 74 ARG HD2 H 2.52 0.02 2 545 . 74 ARG C C 177.3 0.1 1 546 . 74 ARG CA C 60.9 0.1 1 547 . 74 ARG CB C 29.8 0.1 1 548 . 74 ARG CG C 25.8 0.1 1 549 . 74 ARG CD C 42.5 0.1 1 550 . 74 ARG N N 122.0 0.05 1 551 . 75 ASP H H 8.40 0.02 1 552 . 75 ASP HA H 4.24 0.02 1 553 . 75 ASP HB2 H 2.55 0.02 2 554 . 75 ASP HB3 H 2.61 0.02 2 555 . 75 ASP CA C 57.9 0.1 1 556 . 75 ASP CB C 39.9 0.1 1 557 . 75 ASP N N 115.7 0.05 1 558 . 76 GLU H H 8.57 0.02 1 559 . 76 GLU HA H 4.12 0.02 1 560 . 76 GLU HB2 H 2.13 0.02 2 561 . 76 GLU HB3 H 2.32 0.02 2 562 . 76 GLU HG2 H 2.35 0.02 2 563 . 76 GLU HG3 H 2.51 0.02 2 564 . 76 GLU CA C 60.0 0.1 1 565 . 76 GLU CB C 29.1 0.1 1 566 . 76 GLU CG C 36.9 0.1 1 567 . 76 GLU N N 123.0 0.05 1 568 . 77 ILE H H 8.67 0.02 1 569 . 77 ILE HA H 3.74 0.02 1 570 . 77 ILE HB H 2.24 0.02 1 571 . 77 ILE HG12 H 1.15 0.02 2 572 . 77 ILE HG13 H 2.01 0.02 2 573 . 77 ILE HG2 H 1.16 0.02 1 574 . 77 ILE HD1 H 0.93 0.02 1 575 . 77 ILE C C 177.7 0.1 1 576 . 77 ILE CA C 66.2 0.1 1 577 . 77 ILE CB C 38.1 0.1 1 578 . 77 ILE CG1 C 29.4 0.1 1 579 . 77 ILE CG2 C 19.2 0.1 1 580 . 77 ILE CD1 C 14.2 0.1 1 581 . 77 ILE N N 121.9 0.05 1 582 . 78 LEU H H 8.82 0.02 1 583 . 78 LEU HA H 4.12 0.02 1 584 . 78 LEU HB2 H 1.56 0.02 2 585 . 78 LEU HB3 H 1.95 0.02 2 586 . 78 LEU HG H 2.00 0.02 1 587 . 78 LEU HD1 H 0.92 0.02 2 588 . 78 LEU HD2 H 1.07 0.02 2 589 . 78 LEU CA C 58.2 0.1 1 590 . 78 LEU CB C 41.0 0.1 1 591 . 78 LEU CG C 27.0 0.1 1 592 . 78 LEU CD1 C 25.8 0.1 1 593 . 78 LEU CD2 C 21.3 0.1 1 594 . 78 LEU N N 119.0 0.05 1 595 . 79 GLY H H 8.19 0.02 1 596 . 79 GLY HA2 H 3.97 0.02 1 597 . 79 GLY HA3 H 3.97 0.02 1 598 . 79 GLY CA C 47.3 0.1 1 599 . 79 GLY N N 107.2 0.05 1 600 . 80 ALA H H 7.69 0.02 1 601 . 80 ALA HA H 4.07 0.02 1 602 . 80 ALA HB H 1.47 0.02 1 603 . 80 ALA CA C 55.3 0.1 1 604 . 80 ALA CB C 18.0 0.1 1 605 . 80 ALA N N 125.7 0.05 1 606 . 81 VAL H H 8.57 0.02 1 607 . 81 VAL HA H 3.52 0.02 1 608 . 81 VAL HB H 2.33 0.02 1 609 . 81 VAL HG1 H 1.02 0.02 1 610 . 81 VAL HG2 H 1.03 0.02 1 611 . 81 VAL CA C 66.4 0.1 1 612 . 81 VAL CB C 31.9 0.1 1 613 . 81 VAL CG1 C 21.2 0.1 1 614 . 81 VAL CG2 C 23.2 0.1 1 615 . 81 VAL N N 117.8 0.05 1 616 . 82 ASP H H 8.19 0.02 1 617 . 82 ASP HA H 4.45 0.02 1 618 . 82 ASP HB2 H 2.72 0.02 2 619 . 82 ASP HB3 H 2.90 0.02 2 620 . 82 ASP CA C 58.0 0.1 1 621 . 82 ASP CB C 41.5 0.1 1 622 . 82 ASP N N 119.6 0.05 1 623 . 83 LEU H H 7.54 0.02 1 624 . 83 LEU HA H 4.04 0.02 1 625 . 83 LEU HB2 H 1.47 0.02 1 626 . 83 LEU HB3 H 1.84 0.02 1 627 . 83 LEU HG H 1.75 0.02 1 628 . 83 LEU HD1 H 0.82 0.02 2 629 . 83 LEU HD2 H 0.86 0.02 2 630 . 83 LEU CA C 58.0 0.1 1 631 . 83 LEU CB C 41.9 0.1 1 632 . 83 LEU CG C 27.0 0.1 1 633 . 83 LEU CD1 C 23.7 0.1 2 634 . 83 LEU CD2 C 25.3 0.1 2 635 . 83 LEU N N 118.5 0.05 1 636 . 84 ALA H H 8.42 0.02 1 637 . 84 ALA HA H 3.87 0.02 1 638 . 84 ALA HB H 1.52 0.02 1 639 . 84 ALA CA C 55.5 0.1 1 640 . 84 ALA CB C 18.4 0.1 1 641 . 84 ALA N N 123.4 0.05 1 642 . 85 ARG H H 8.85 0.02 1 643 . 85 ARG HA H 4.23 0.02 1 644 . 85 ARG HB2 H 1.81 0.02 2 645 . 85 ARG HB3 H 2.03 0.02 2 646 . 85 ARG HG2 H 1.43 0.02 2 647 . 85 ARG HG3 H 1.99 0.02 2 648 . 85 ARG HD2 H 3.27 0.02 2 649 . 85 ARG CA C 59.5 0.1 1 650 . 85 ARG CB C 29.9 0.1 1 651 . 85 ARG CG C 27.7 0.1 1 652 . 85 ARG CD C 43.6 0.1 1 653 . 85 ARG N N 117.8 0.05 1 654 . 86 LYS H H 8.10 0.02 1 655 . 86 LYS HA H 4.17 0.02 1 656 . 86 LYS HB2 H 1.99 0.02 2 657 . 86 LYS HG2 H 1.54 0.02 2 658 . 86 LYS HG3 H 1.68 0.02 2 659 . 86 LYS HD2 H 1.69 0.02 2 660 . 86 LYS CA C 59.4 0.1 1 661 . 86 LYS CB C 32.8 0.1 1 662 . 86 LYS CG C 25.9 0.1 1 663 . 86 LYS CD C 29.3 0.1 1 664 . 86 LYS N N 119.9 0.05 1 665 . 87 SER H H 7.53 0.02 1 666 . 87 SER HA H 4.74 0.02 1 667 . 87 SER HB2 H 3.89 0.02 2 668 . 87 SER HB3 H 4.10 0.02 2 669 . 87 SER CA C 58.1 0.1 1 670 . 87 SER CB C 64.1 0.1 1 671 . 87 SER N N 112.3 0.05 1 672 . 88 SER H H 7.80 0.02 1 673 . 88 SER HA H 4.06 0.02 1 674 . 88 SER HB2 H 3.92 0.02 2 675 . 88 SER CA C 59.0 0.1 1 676 . 88 SER CB C 61.4 0.1 1 677 . 88 SER N N 114.3 0.05 1 678 . 89 LYS H H 8.42 0.02 1 679 . 89 LYS HA H 4.82 0.02 1 680 . 89 LYS C C 174.0 0.1 1 681 . 89 LYS CA C 52.7 0.1 1 682 . 89 LYS CB C 33.1 0.1 1 683 . 89 LYS N N 120.2 0.05 1 684 . 90 PRO HA H 4.35 0.02 1 685 . 90 PRO HB2 H 2.34 0.02 2 686 . 90 PRO HG2 H 2.13 0.02 2 687 . 90 PRO HD2 H 3.95 0.02 2 688 . 90 PRO HD3 H 4.09 0.02 2 689 . 90 PRO C C 175.0 0.1 1 690 . 90 PRO CA C 63.4 0.1 1 691 . 90 PRO CB C 32.6 0.1 1 692 . 90 PRO CG C 27.8 0.1 1 693 . 90 PRO CD C 50.4 0.1 1 694 . 91 ILE H H 7.96 0.02 1 695 . 91 ILE HA H 4.93 0.02 1 696 . 91 ILE HB H 1.85 0.02 1 697 . 91 ILE HG12 H 0.69 0.02 2 698 . 91 ILE HG13 H 1.84 0.02 2 699 . 91 ILE HG2 H 0.76 0.02 1 700 . 91 ILE HD1 H 1.05 0.02 1 701 . 91 ILE C C 175.7 0.1 1 702 . 91 ILE CA C 59.9 0.1 1 703 . 91 ILE CB C 41.1 0.1 1 704 . 91 ILE CG1 C 28.0 0.1 1 705 . 91 ILE CG2 C 17.7 0.1 1 706 . 91 ILE CD1 C 15.5 0.1 1 707 . 91 ILE N N 120.5 0.05 1 708 . 92 ILE H H 9.23 0.02 1 709 . 92 ILE HA H 4.76 0.02 1 710 . 92 ILE HB H 1.78 0.02 1 711 . 92 ILE HG12 H 1.17 0.02 2 712 . 92 ILE HG13 H 1.22 0.02 2 713 . 92 ILE HG2 H 0.57 0.02 1 714 . 92 ILE HD1 H 0.66 0.02 1 715 . 92 ILE C C 174.5 0.1 1 716 . 92 ILE CA C 52.9 0.1 1 717 . 92 ILE CB C 39.2 0.1 1 718 . 92 ILE CG1 C 28.7 0.1 1 719 . 92 ILE CG2 C 18.1 0.1 1 720 . 92 ILE CD1 C 13.2 0.1 1 721 . 92 ILE N N 130.4 0.05 1 722 . 93 THR H H 8.41 0.02 1 723 . 93 THR HA H 5.19 0.02 1 724 . 93 THR HB H 3.76 0.02 1 725 . 93 THR HG1 H 4.96 0.02 1 726 . 93 THR HG2 H 0.87 0.02 1 727 . 93 THR C C 172.8 0.1 1 728 . 93 THR CA C 61.7 0.1 1 729 . 93 THR CB C 69.8 0.1 1 730 . 93 THR CG2 C 24.2 0.1 1 731 . 93 THR N N 125.0 0.05 1 732 . 94 VAL H H 8.96 0.02 1 733 . 94 VAL HA H 4.30 0.02 1 734 . 94 VAL HB H 1.45 0.02 1 735 . 94 VAL HG1 H -0.02 0.02 1 736 . 94 VAL HG2 H 0.04 0.02 1 737 . 94 VAL C C 176.6 0.1 1 738 . 94 VAL CA C 59.8 0.1 1 739 . 94 VAL CB C 32.5 0.1 1 740 . 94 VAL CG1 C 19.5 0.1 1 741 . 94 VAL CG2 C 21.2 0.1 1 742 . 94 VAL N N 129.1 0.05 1 743 . 95 ARG H H 8.27 0.02 1 744 . 95 ARG HA H 3.91 0.02 1 745 . 95 ARG C C 173.2 0.1 1 746 . 95 ARG CA C 56.6 0.1 1 747 . 95 ARG CB C 28.9 0.1 1 748 . 95 ARG N N 125.3 0.05 1 749 . 96 PRO HA H 4.60 0.02 1 750 . 96 PRO HG2 H 1.51 0.02 2 751 . 96 PRO HG3 H 2.10 0.02 2 752 . 96 PRO HD2 H 3.50 0.02 1 753 . 96 PRO HD3 H 3.50 0.02 1 754 . 96 PRO C C 176.7 0.1 1 755 . 96 PRO CA C 63.3 0.1 1 756 . 96 PRO CB C 31.5 0.1 1 757 . 96 PRO CG C 28.7 0.1 1 758 . 96 PRO CD C 51.2 0.1 1 759 . 97 TYR H H 9.51 0.02 1 760 . 97 TYR HA H 3.66 0.02 1 761 . 97 TYR HB2 H 2.44 0.02 2 762 . 97 TYR HB3 H 2.56 0.02 2 763 . 97 TYR HD1 H 5.68 0.02 1 764 . 97 TYR HD2 H 5.68 0.02 1 765 . 97 TYR HE1 H 6.34 0.02 1 766 . 97 TYR HE2 H 6.34 0.02 1 767 . 97 TYR C C 177.1 0.1 1 768 . 97 TYR CA C 60.8 0.1 1 769 . 97 TYR CB C 38.1 0.1 1 770 . 97 TYR CD1 C 131.9 0.1 1 771 . 97 TYR CD2 C 131.9 0.1 1 772 . 97 TYR CE1 C 117.7 0.1 1 773 . 97 TYR CE2 C 117.7 0.1 1 774 . 97 TYR N N 127.1 0.05 1 775 . 98 GLY H H 8.15 0.02 1 776 . 98 GLY HA2 H 3.69 0.02 1 777 . 98 GLY HA3 H 3.85 0.02 1 778 . 98 GLY CA C 44.9 0.1 1 779 . 98 GLY N N 110.8 0.05 1 780 . 99 LEU H H 7.93 0.02 1 781 . 99 LEU HA H 4.51 0.02 1 782 . 99 LEU HB2 H 1.63 0.02 2 783 . 99 LEU HB3 H 1.69 0.02 2 784 . 99 LEU HG H 1.56 0.02 1 785 . 99 LEU HD1 H 0.92 0.02 1 786 . 99 LEU HD2 H 0.92 0.02 1 787 . 99 LEU C C 176.6 0.1 1 788 . 99 LEU CA C 54.8 0.1 1 789 . 99 LEU CB C 43.1 0.1 1 790 . 99 LEU CG C 27.1 0.1 1 791 . 99 LEU CD1 C 21.6 0.1 2 792 . 99 LEU CD2 C 23.4 0.1 2 793 . 99 LEU N N 119.3 0.05 1 794 . 100 GLU H H 8.22 0.02 1 795 . 100 GLU HA H 4.33 0.02 1 796 . 100 GLU HB2 H 1.92 0.02 2 797 . 100 GLU HB3 H 2.12 0.02 2 798 . 100 GLU HG2 H 2.33 0.02 2 799 . 100 GLU CA C 57.4 0.1 1 800 . 100 GLU CB C 31.0 0.1 1 801 . 100 GLU CG C 36.7 0.1 1 802 . 100 GLU N N 118.0 0.05 1 803 . 101 ASN H H 8.05 0.02 1 804 . 101 ASN HA H 4.71 0.02 1 805 . 101 ASN HB2 H 2.61 0.02 2 806 . 101 ASN HB3 H 2.71 0.02 2 807 . 101 ASN HD21 H 6.95 0.02 2 808 . 101 ASN HD22 H 7.97 0.02 2 809 . 101 ASN C C 174.8 0.1 1 810 . 101 ASN CA C 53.3 0.1 1 811 . 101 ASN CB C 39.7 0.1 1 812 . 101 ASN N N 116.3 0.05 1 813 . 101 ASN ND2 N 113.3 0.05 1 814 . 102 VAL H H 8.51 0.02 1 815 . 102 VAL HA H 4.07 0.02 1 816 . 102 VAL HB H 1.96 0.02 1 817 . 102 VAL HG1 H 0.91 0.02 2 818 . 102 VAL CA C 59.6 0.1 1 819 . 102 VAL CB C 33.6 0.1 1 820 . 102 VAL CG1 C 22.0 0.1 2 821 . 102 VAL N N 119.9 0.05 1 822 . 103 PRO HA H 4.56 0.02 1 823 . 103 PRO HB2 H 1.07 0.02 2 824 . 103 PRO HB3 H 1.94 0.02 2 825 . 103 PRO HG2 H 0.77 0.02 2 826 . 103 PRO HG3 H 1.27 0.02 2 827 . 103 PRO HD2 H 3.08 0.02 2 828 . 103 PRO HD3 H 3.77 0.02 2 829 . 103 PRO C C 175.9 0.1 1 830 . 103 PRO CA C 61.4 0.1 1 831 . 103 PRO CB C 31.3 0.1 1 832 . 103 PRO CG C 27.4 0.1 1 833 . 103 PRO CD C 50.9 0.1 1 834 . 104 PRO HA H 4.34 0.02 1 835 . 104 PRO HB2 H 1.95 0.02 2 836 . 104 PRO HB3 H 2.39 0.02 2 837 . 104 PRO HG2 H 2.03 0.02 2 838 . 104 PRO HG3 H 2.15 0.02 2 839 . 104 PRO HD2 H 3.05 0.02 2 840 . 104 PRO HD3 H 3.90 0.02 2 841 . 104 PRO C C 179.0 0.1 1 842 . 104 PRO CA C 65.4 0.1 1 843 . 104 PRO CB C 31.9 0.1 1 844 . 104 PRO CG C 27.6 0.1 1 845 . 104 PRO CD C 51.2 0.1 1 846 . 105 GLU H H 9.94 0.02 1 847 . 105 GLU HA H 4.00 0.02 1 848 . 105 GLU HB2 H 1.90 0.02 2 849 . 105 GLU HG2 H 2.42 0.02 2 850 . 105 GLU HG3 H 2.58 0.02 2 851 . 105 GLU C C 178.7 0.1 1 852 . 105 GLU CA C 60.0 0.1 1 853 . 105 GLU CB C 29.5 0.1 1 854 . 105 GLU CG C 37.4 0.1 1 855 . 105 GLU N N 118.1 0.05 1 856 . 106 LEU H H 6.93 0.02 1 857 . 106 LEU HA H 4.23 0.02 1 858 . 106 LEU HB2 H 1.14 0.02 2 859 . 106 LEU HB3 H 1.27 0.02 2 860 . 106 LEU HG H 0.90 0.02 1 861 . 106 LEU HD1 H 0.62 0.02 2 862 . 106 LEU HD2 H 0.66 0.02 2 863 . 106 LEU C C 175.9 0.1 1 864 . 106 LEU CA C 54.8 0.1 1 865 . 106 LEU CB C 41.4 0.1 1 866 . 106 LEU CG C 26.7 0.1 1 867 . 106 LEU CD1 C 23.9 0.1 2 868 . 106 LEU CD2 C 22.7 0.1 2 869 . 106 LEU N N 113.8 0.05 1 870 . 107 GLU H H 7.93 0.02 1 871 . 107 GLU HA H 3.54 0.02 1 872 . 107 GLU HB2 H 1.98 0.02 2 873 . 107 GLU HB3 H 2.04 0.02 2 874 . 107 GLU HG2 H 2.07 0.02 2 875 . 107 GLU HG3 H 2.14 0.02 2 876 . 107 GLU C C 178.6 0.1 1 877 . 107 GLU CA C 60.8 0.1 1 878 . 107 GLU CB C 29.5 0.1 1 879 . 107 GLU CG C 36.7 0.1 1 880 . 107 GLU N N 124.2 0.05 1 881 . 108 ALA H H 7.68 0.02 1 882 . 108 ALA HA H 4.17 0.02 1 883 . 108 ALA HB H 1.47 0.02 1 884 . 108 ALA C C 178.9 0.1 1 885 . 108 ALA CA C 54.6 0.1 1 886 . 108 ALA CB C 19.0 0.1 1 887 . 108 ALA N N 115.8 0.05 1 888 . 109 VAL H H 6.67 0.02 1 889 . 109 VAL HA H 4.53 0.02 1 890 . 109 VAL HB H 2.39 0.02 1 891 . 109 VAL HG1 H 0.95 0.02 2 892 . 109 VAL HG2 H 0.96 0.02 2 893 . 109 VAL C C 175.8 0.1 1 894 . 109 VAL CA C 60.4 0.1 1 895 . 109 VAL CB C 32.3 0.1 1 896 . 109 VAL CG1 C 21.1 0.1 2 897 . 109 VAL CG2 C 18.2 0.1 2 898 . 109 VAL N N 105.1 0.05 1 899 . 110 SER H H 7.04 0.02 1 900 . 110 SER HA H 4.36 0.02 1 901 . 110 SER HB2 H 3.65 0.02 2 902 . 110 SER HB3 H 3.78 0.02 2 903 . 110 SER C C 174.2 0.1 1 904 . 110 SER CA C 60.4 0.1 1 905 . 110 SER CB C 63.4 0.1 1 906 . 110 SER N N 116.6 0.05 1 907 . 111 SER H H 10.07 0.02 1 908 . 111 SER HA H 4.42 0.02 1 909 . 111 SER HB2 H 3.82 0.02 2 910 . 111 SER HB3 H 4.09 0.02 2 911 . 111 SER C C 174.5 0.1 1 912 . 111 SER CA C 61.5 0.1 1 913 . 111 SER CB C 62.5 0.1 1 914 . 111 SER N N 123.5 0.05 1 915 . 112 GLU H H 7.42 0.02 1 916 . 112 GLU HA H 4.50 0.02 1 917 . 112 GLU HB2 H 1.78 0.02 2 918 . 112 GLU HB3 H 1.89 0.02 2 919 . 112 GLU HG2 H 2.16 0.02 2 920 . 112 GLU HG3 H 2.27 0.02 2 921 . 112 GLU C C 173.7 0.1 1 922 . 112 GLU CA C 55.5 0.1 1 923 . 112 GLU CB C 33.7 0.1 1 924 . 112 GLU CG C 35.2 0.1 1 925 . 112 GLU N N 116.1 0.05 1 926 . 113 VAL H H 8.60 0.02 1 927 . 113 VAL HA H 5.22 0.02 1 928 . 113 VAL HB H 1.91 0.02 1 929 . 113 VAL HG1 H 0.77 0.02 2 930 . 113 VAL HG2 H 0.87 0.02 2 931 . 113 VAL C C 176.1 0.1 1 932 . 113 VAL CA C 60.9 0.1 1 933 . 113 VAL CB C 33.4 0.1 1 934 . 113 VAL N N 125.0 0.05 1 935 . 114 VAL H H 9.24 0.02 1 936 . 114 VAL HA H 4.73 0.02 1 937 . 114 VAL HB H 1.91 0.02 1 938 . 114 VAL HG1 H 0.72 0.02 2 939 . 114 VAL HG2 H 0.75 0.02 2 940 . 114 VAL C C 173.8 0.1 1 941 . 114 VAL CA C 59.1 0.1 1 942 . 114 VAL CB C 36.1 0.1 1 943 . 114 VAL CG1 C 21.4 0.1 2 944 . 114 VAL CG2 C 20.9 0.1 2 945 . 114 VAL N N 123.1 0.05 1 946 . 115 GLY H H 7.68 0.02 1 947 . 115 GLY HA2 H 3.73 0.02 2 948 . 115 GLY HA3 H 4.22 0.02 2 949 . 115 GLY CA C 43.9 0.1 1 950 . 115 GLY N N 109.2 0.05 1 951 . 116 TRP H H 7.64 0.02 1 952 . 116 TRP HA H 4.24 0.02 1 953 . 116 TRP HB2 H 2.78 0.02 2 954 . 116 TRP HB3 H 2.79 0.02 2 955 . 116 TRP HD1 H 7.25 0.02 1 956 . 116 TRP HE1 H 9.41 0.02 1 957 . 116 TRP HZ2 H 7.79 0.02 1 958 . 116 TRP HZ3 H 6.84 0.02 1 959 . 116 TRP HH2 H 7.64 0.02 1 960 . 116 TRP C C 176.6 0.1 1 961 . 116 TRP CA C 58.3 0.1 1 962 . 116 TRP CB C 29.7 0.1 1 963 . 116 TRP CD1 C 125.3 0.1 1 964 . 116 TRP CZ2 C 115.9 0.1 1 965 . 116 TRP CZ3 C 121.1 0.1 1 966 . 116 TRP CH2 C 124.1 0.1 1 967 . 116 TRP N N 113.8 0.05 1 968 . 116 TRP NE1 N 129.5 0.05 1 969 . 117 ASN H H 8.03 0.02 1 970 . 117 ASN HA H 5.07 0.02 1 971 . 117 ASN HB2 H 2.98 0.02 1 972 . 117 ASN HB3 H 2.98 0.02 1 973 . 117 ASN CA C 51.5 0.1 1 974 . 117 ASN CB C 39.6 0.1 1 975 . 117 ASN N N 121.8 0.05 1 976 . 118 PRO HA H 3.92 0.02 1 977 . 118 PRO HD2 H 3.97 0.02 2 978 . 118 PRO HD3 H 4.24 0.02 2 979 . 118 PRO C C 177.5 0.1 1 980 . 118 PRO CA C 65.8 0.1 1 981 . 118 PRO CB C 32.3 0.1 1 982 . 118 PRO CD C 51.3 0.1 1 983 . 119 HIS H H 8.14 0.02 1 984 . 119 HIS HA H 4.38 0.02 1 985 . 119 HIS HB2 H 3.23 0.02 2 986 . 119 HIS HB3 H 3.27 0.02 2 987 . 119 HIS CA C 58.6 0.1 1 988 . 119 HIS CB C 28.8 0.1 1 989 . 119 HIS N N 114.5 0.05 1 990 . 120 CYS H H 7.44 0.02 1 991 . 120 CYS HA H 4.27 0.02 1 992 . 120 CYS HB2 H 3.06 0.02 2 993 . 120 CYS HB3 H 3.13 0.02 2 994 . 120 CYS C C 177.9 0.1 1 995 . 120 CYS CA C 58.5 0.1 1 996 . 120 CYS CB C 34.2 0.1 1 997 . 120 CYS N N 118.6 0.05 1 998 . 121 ILE H H 7.83 0.02 1 999 . 121 ILE HA H 3.37 0.02 1 1000 . 121 ILE HB H 1.61 0.02 1 1001 . 121 ILE HG12 H 0.74 0.02 2 1002 . 121 ILE HG13 H 1.67 0.02 2 1003 . 121 ILE HG2 H 0.60 0.02 1 1004 . 121 ILE HD1 H 0.54 0.02 1 1005 . 121 ILE C C 176.4 0.1 1 1006 . 121 ILE CA C 66.0 0.1 1 1007 . 121 ILE CB C 38.6 0.1 1 1008 . 121 ILE CG1 C 29.9 0.1 1 1009 . 121 ILE CG2 C 17.4 0.1 1 1010 . 121 ILE CD1 C 13.8 0.1 1 1011 . 121 ILE N N 120.7 0.05 1 1012 . 122 ARG H H 7.78 0.02 1 1013 . 122 ARG HA H 3.79 0.02 1 1014 . 122 ARG C C 179.5 0.1 1 1015 . 122 ARG CA C 60.4 0.1 1 1016 . 122 ARG CB C 29.4 0.1 1 1017 . 122 ARG N N 118.2 0.05 1 1018 . 123 ASP H H 8.25 0.02 1 1019 . 123 ASP HA H 4.32 0.02 1 1020 . 123 ASP HB2 H 2.68 0.02 2 1021 . 123 ASP HB3 H 2.81 0.02 2 1022 . 123 ASP CA C 57.3 0.1 1 1023 . 123 ASP CB C 40.8 0.1 1 1024 . 123 ASP N N 118.2 0.05 1 1025 . 124 ALA H H 7.80 0.02 1 1026 . 124 ALA HA H 4.15 0.02 1 1027 . 124 ALA HB H 1.35 0.02 1 1028 . 124 ALA CA C 54.9 0.1 1 1029 . 124 ALA CB C 18.7 0.1 1 1030 . 124 ALA N N 120.4 0.05 1 1031 . 125 LEU H H 7.78 0.02 1 1032 . 125 LEU HA H 3.87 0.02 1 1033 . 125 LEU HB2 H 1.27 0.02 2 1034 . 125 LEU HB3 H 1.89 0.02 2 1035 . 125 LEU HG H 1.68 0.02 1 1036 . 125 LEU HD1 H 0.68 0.02 1 1037 . 125 LEU HD2 H 0.68 0.02 1 1038 . 125 LEU CA C 58.0 0.1 1 1039 . 125 LEU CB C 42.0 0.1 1 1040 . 125 LEU CG C 27.8 0.1 1 1041 . 125 LEU CD1 C 24.3 0.1 2 1042 . 125 LEU CD2 C 25.8 0.1 2 1043 . 125 LEU N N 118.5 0.05 1 1044 . 126 GLU H H 8.50 0.02 1 1045 . 126 GLU HA H 3.87 0.02 1 1046 . 126 GLU HB2 H 2.02 0.02 2 1047 . 126 GLU HB3 H 2.12 0.02 2 1048 . 126 GLU HG2 H 2.60 0.02 2 1049 . 126 GLU CA C 60.2 0.1 1 1050 . 126 GLU CB C 29.2 0.1 1 1051 . 126 GLU N N 116.9 0.05 1 1052 . 127 ASP H H 8.24 0.02 1 1053 . 127 ASP N N 118.5 0.05 1 1054 . 128 ALA H H 7.80 0.02 1 1055 . 128 ALA HA H 4.22 0.02 1 1056 . 128 ALA HB H 1.47 0.02 1 1057 . 128 ALA C C 178.7 0.1 1 1058 . 128 ALA CA C 54.1 0.1 1 1059 . 128 ALA CB C 18.3 0.1 1 1060 . 128 ALA N N 120.4 0.05 1 1061 . 129 LEU H H 7.56 0.02 1 1062 . 129 LEU CA C 54.8 0.1 1 1063 . 129 LEU CB C 42.4 0.1 1 1064 . 129 LEU N N 115.6 0.05 1 1065 . 130 ASP H H 7.88 0.02 1 1066 . 130 ASP HA H 4.67 0.02 1 1067 . 130 ASP C C 175.9 0.1 1 1068 . 130 ASP CA C 54.8 0.1 1 1069 . 130 ASP CB C 40.8 0.1 1 1070 . 130 ASP N N 120.2 0.05 1 1071 . 131 VAL H H 7.87 0.02 1 1072 . 131 VAL HA H 4.21 0.02 1 1073 . 131 VAL CA C 62.4 0.1 1 1074 . 131 VAL CB C 32.8 0.1 1 1075 . 131 VAL N N 117.9 0.05 1 1076 . 132 ILE H H 7.66 0.02 1 1077 . 132 ILE CA C 62.8 0.1 1 1078 . 132 ILE CB C 39.6 0.1 1 1079 . 132 ILE N N 127.8 0.05 1 stop_ save_