data_4922 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C and 15N chemical shift assignments for unfolded apoplastocyanin ; _BMRB_accession_number 4922 _BMRB_flat_file_name bmr4922.str _Entry_type original _Submission_date 2000-12-13 _Accession_date 2000-12-13 _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 Bai Yawen . . 2 Chung John . . 3 Dyson Jane . . 4 Wright Peter E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 290 "13C chemical shifts" 270 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-08-08 original author . stop_ _Original_release_date 2001-08-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural and Dynamic Characterization of an Unfolded State of Poplar Apo-plastocyanin Formed under Non-denaturing Conditions ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21216433 _PubMed_ID 11316886 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bai Yawen . . 2 Chung John . . 3 Dyson 'H. Jane' . . 4 Wright Peter E. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_name_full 'Protein Science' _Journal_volume 10 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1056 _Page_last 1066 _Year 2001 _Details . loop_ _Keyword plastocyanin 'unfolded protein' stop_ save_ ################################## # Molecular system description # ################################## save_system_Pc _Saveframe_category molecular_system _Mol_system_name 'unfolded apoplastocyanin' _Abbreviation_common Pc _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'unfolded apo-Pc' $Pc stop_ _System_molecular_weight . _System_physical_state denatured _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Pc _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'unfolded apo-plastocyanin' _Abbreviation_common Pc _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; IDVLLGADDGSLAFVPSEFS ISPGEKIVFKNNAGFPHNIV FDEDSIPSGVDASKISMSEE DLLNAKGETFEVALSNKGEY SFYCSPHQGAGMVGKVTVN ; loop_ _Residue_seq_code _Residue_label 1 ILE 2 ASP 3 VAL 4 LEU 5 LEU 6 GLY 7 ALA 8 ASP 9 ASP 10 GLY 11 SER 12 LEU 13 ALA 14 PHE 15 VAL 16 PRO 17 SER 18 GLU 19 PHE 20 SER 21 ILE 22 SER 23 PRO 24 GLY 25 GLU 26 LYS 27 ILE 28 VAL 29 PHE 30 LYS 31 ASN 32 ASN 33 ALA 34 GLY 35 PHE 36 PRO 37 HIS 38 ASN 39 ILE 40 VAL 41 PHE 42 ASP 43 GLU 44 ASP 45 SER 46 ILE 47 PRO 48 SER 49 GLY 50 VAL 51 ASP 52 ALA 53 SER 54 LYS 55 ILE 56 SER 57 MET 58 SER 59 GLU 60 GLU 61 ASP 62 LEU 63 LEU 64 ASN 65 ALA 66 LYS 67 GLY 68 GLU 69 THR 70 PHE 71 GLU 72 VAL 73 ALA 74 LEU 75 SER 76 ASN 77 LYS 78 GLY 79 GLU 80 TYR 81 SER 82 PHE 83 TYR 84 CYS 85 SER 86 PRO 87 HIS 88 GLN 89 GLY 90 ALA 91 GLY 92 MET 93 VAL 94 GLY 95 LYS 96 VAL 97 THR 98 VAL 99 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 BMRB 19247 plastocyanin 100.00 101 100.00 100.00 2.55e-63 BMRB 4019 Pc_peptide 100.00 99 100.00 100.00 2.65e-63 PDB 1JXG "The 1.6 A Resolution Crystal Structure Of A Mutant Poplar Plastocyanin Bearing A 21-25 Engeneered Disulfide Bridge" 100.00 100 97.98 97.98 1.90e-61 PDB 1PLC "Accuracy And Precision In Protein Crystal Structure Analysis: Restrained Least-Squares Refinement Of The Crystal Structure Of P" 100.00 99 100.00 100.00 2.65e-63 PDB 1PNC "Accuracy And Precision In Protein Crystal Structure Analysis: Two Independent Refinements Of The Structure Of Poplar Plastocyan" 100.00 99 100.00 100.00 2.65e-63 PDB 1PND "Accuracy And Precision In Protein Crystal Structure Analysis: Two Independent Refinements Of The Structure Of Poplar Plastocyan" 100.00 99 100.00 100.00 2.65e-63 PDB 1TKW "The Transient Complex Of Poplar Plastocyanin With Turnip Cytochrome F Determined With Paramagnetic Nmr" 100.00 99 100.00 100.00 2.65e-63 PDB 2PCY "The Crystal Structure Of Poplar Apoplastocyanin At 1.8- Angstroms Resolution. The Geometry Of The Copper-Binding Site Is Create" 100.00 99 100.00 100.00 2.65e-63 PDB 3PCY "The Crystal Structure Of Mercury-Substituted Poplar Plastocyanin At 1.9-Angstroms Resolution" 100.00 99 100.00 100.00 2.65e-63 PDB 4DP7 "The 1.08 Angstrom Crystal Structure Of Oxidized (cuii) Poplar Plastocyanin A At Ph 4.0" 100.00 99 100.00 100.00 2.65e-63 PDB 4DP8 "The 1.07 Angstrom Crystal Structure Of Reduced (cui) Poplar Plastocyanin A At Ph 4.0" 100.00 99 100.00 100.00 2.65e-63 PDB 4DP9 "The 1.00 Angstrom Crystal Structure Of Oxidized (cuii) Poplar Plastocyanin A At Ph 6.0" 100.00 99 100.00 100.00 2.65e-63 PDB 4DPA "The 1.05 Angstrom Crystal Structure Of Reduced (cui) Poplar Plastocyanin A At Ph 6.0" 100.00 99 100.00 100.00 2.65e-63 PDB 4DPB "The 1.00 Angstrom Crystal Structure Of Oxidized (cuii) Poplar Plastocyanin A At Ph 8.0" 100.00 99 100.00 100.00 2.65e-63 PDB 4DPC "The 1.06 Angstrom Crystal Structure Of Reduced (cui) Poplar Plastocyanin A At Ph 8.0" 100.00 99 100.00 100.00 2.65e-63 PDB 4PCY "Crystal Structure Analyses Of Reduced (Cui) Poplar Plastocyanin At Six Ph Values" 100.00 99 100.00 100.00 2.65e-63 PDB 5PCY "Crystal Structure Analyses Of Reduced (Cui) Poplar Plastocyanin At Six Ph Values" 100.00 99 100.00 100.00 2.65e-63 PDB 6PCY "Crystal Structure Analyses Of Reduced (Cui) Poplar Plastocyanin At Six Ph Values" 100.00 99 100.00 100.00 2.65e-63 EMBL CAA90564 "plastocyanin a [Populus nigra]" 100.00 168 100.00 100.00 6.24e-65 GB ABK96770 "unknown [Populus trichocarpa x Populus deltoides]" 100.00 168 98.99 98.99 6.20e-64 GB EEE94750 "Plastocyanin family protein [Populus trichocarpa]" 100.00 168 100.00 100.00 6.24e-65 REF XP_002307754 "Plastocyanin family protein [Populus trichocarpa]" 100.00 168 100.00 100.00 6.24e-65 REF XP_011003094 "PREDICTED: plastocyanin A, chloroplastic [Populus euphratica]" 100.00 168 98.99 98.99 6.84e-64 SP P00299 "RecName: Full=Plastocyanin A, chloroplastic; Flags: Precursor [Populus nigra]" 100.00 168 100.00 100.00 6.24e-65 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Pc poplar 3691 Eukaryota Viridiplantae Populus nigra 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 $Pc 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pc 2.0 mM [U-15N] KH2PO4 5 mM . EDTA 50 uM . beta-mercaptoethanol 5 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pc 1.5 mM '[U-15N; U-13C]' KH2PO4 5 mM . EDTA 50 uM . beta-mercaptoethanol 5 mM . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pc 0.5 mM '[U-15N; U-13C]' KH2PO4 5 mM . EDTA 50 uM . beta-mercaptoethanol 5 mM . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Pc 0.1 mM . KH2PO4 5 mM . EDTA 50 uM . beta-mercaptoethanol 5 mM . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version . loop_ _Task 'Fourier transformation' analysis stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_NOESY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY-HSQC' _Sample_label . save_ save_C(CO)NH-TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH-TOCSY _Sample_label . save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_TOCSY-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY-HSQC _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_(HA)CO(CA)NH(particularly_useful_for_unfolded_proteins)_8 _Saveframe_category NMR_applied_experiment _Experiment_name '(HA)CO(CA)NH(particularly useful for unfolded proteins)' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '(HA)CO(CA)NH(particularly useful for unfolded proteins)' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details ; unfolded apo-Pc can only be generated under non-denaturing conditions in the absence of salt. Therefore it is necessary for the ionic strength to be exceedingly low. The solution conditions are 5 mM KH2PO4, 50 microM EDTA and 5 mM beta-mercaptoethanol ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.2 n/a temperature 308 1 K 'ionic strength' 5 . 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 . . . 1.0 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'unfolded apo-Pc' _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 ILE C C 172.05 0.05 1 2 . 2 ASP H H 7.94 0.05 1 3 . 2 ASP C C 173.65 0.05 1 4 . 2 ASP CA C 52.18 0.05 1 5 . 2 ASP CB C 39.49 0.05 1 6 . 2 ASP N N 121.10 0.05 1 7 . 3 VAL H H 8.16 0.05 1 8 . 3 VAL HA H 4.08 0.05 1 9 . 3 VAL C C 173.62 0.05 1 10 . 3 VAL CA C 60.20 0.05 1 11 . 3 VAL CB C 30.58 0.05 1 12 . 3 VAL N N 120.46 0.05 1 13 . 4 LEU H H 8.25 0.05 1 14 . 4 LEU HA H 4.38 0.05 1 15 . 4 LEU HB2 H 1.57 0.05 2 16 . 4 LEU C C 174.97 0.05 1 17 . 4 LEU CA C 52.90 0.05 1 18 . 4 LEU CB C 39.75 0.05 1 19 . 4 LEU N N 125.18 0.05 1 20 . 5 LEU H H 8.12 0.05 1 21 . 5 LEU HA H 4.28 0.05 1 22 . 5 LEU HB2 H 1.82 0.05 1 23 . 5 LEU HB3 H 1.54 0.05 1 24 . 5 LEU C C 175.69 0.05 1 25 . 5 LEU CA C 53.07 0.05 1 26 . 5 LEU CB C 40.26 0.05 1 27 . 5 LEU N N 122.96 0.05 1 28 . 6 GLY H H 8.32 0.05 1 29 . 6 GLY HA2 H 3.90 0.05 2 30 . 6 GLY C C 171.79 0.05 1 31 . 6 GLY CA C 43.18 0.05 1 32 . 6 GLY N N 109.16 0.05 1 33 . 7 ALA H H 8.05 0.05 1 34 . 7 ALA HA H 4.32 0.05 1 35 . 7 ALA HB H 1.34 0.05 1 36 . 7 ALA C C 175.46 0.05 1 37 . 7 ALA CA C 50.30 0.05 1 38 . 7 ALA CB C 17.34 0.05 1 39 . 7 ALA N N 123.01 0.05 1 40 . 8 ASP H H 8.29 0.05 1 41 . 8 ASP HA H 4.56 0.05 1 42 . 8 ASP HB2 H 2.66 0.05 2 43 . 8 ASP C C 174.10 0.05 1 44 . 8 ASP CA C 52.18 0.05 1 45 . 8 ASP CB C 38.98 0.05 1 46 . 8 ASP N N 118.79 0.05 1 47 . 9 ASP H H 8.12 0.05 1 48 . 9 ASP HA H 4.54 0.05 1 49 . 9 ASP HB2 H 2.93 0.05 1 50 . 9 ASP HB3 H 2.85 0.05 1 51 . 9 ASP C C 175.20 0.05 1 52 . 9 ASP CA C 52.20 0.05 1 53 . 9 ASP CB C 38.73 0.05 1 54 . 9 ASP N N 120.03 0.05 1 55 . 10 GLY H H 8.44 0.05 1 56 . 10 GLY HA2 H 3.95 0.05 2 57 . 10 GLY C C 172.89 0.05 1 58 . 10 GLY CA C 43.72 0.05 1 59 . 10 GLY N N 108.94 0.05 1 60 . 11 SER H H 8.15 0.05 1 61 . 11 SER HA H 4.33 0.05 1 62 . 11 SER HB2 H 3.84 0.05 2 63 . 11 SER C C 172.78 0.05 1 64 . 11 SER CA C 57.00 0.05 1 65 . 11 SER CB C 61.64 0.05 1 66 . 11 SER N N 115.31 0.05 1 67 . 12 LEU H H 8.08 0.05 1 68 . 12 LEU HA H 4.32 0.05 1 69 . 12 LEU HB2 H 1.57 0.05 2 70 . 12 LEU C C 174.88 0.05 1 71 . 12 LEU CA C 53.04 0.05 1 72 . 12 LEU CB C 40.00 0.05 1 73 . 12 LEU N N 122.72 0.05 1 74 . 13 ALA H H 7.97 0.05 1 75 . 13 ALA HA H 4.25 0.05 1 76 . 13 ALA HB H 1.28 0.05 1 77 . 13 ALA C C 174.95 0.05 1 78 . 13 ALA CA C 50.29 0.05 1 79 . 13 ALA CB C 17.09 0.05 1 80 . 13 ALA N N 123.41 0.05 1 81 . 14 PHE H H 7.94 0.05 1 82 . 14 PHE HA H 4.59 0.05 1 83 . 14 PHE HB2 H 2.98 0.05 2 84 . 14 PHE C C 172.89 0.05 1 85 . 14 PHE CA C 55.27 0.05 1 86 . 14 PHE CB C 37.71 0.05 1 87 . 14 PHE N N 118.63 0.05 1 88 . 15 VAL H H 7.89 0.05 1 89 . 15 VAL HA H 4.28 0.05 1 90 . 15 VAL HB H 1.95 0.05 1 91 . 15 VAL CA C 57.30 0.05 1 92 . 15 VAL CB C 30.63 0.05 1 93 . 15 VAL N N 124.26 0.05 1 94 . 16 PRO HA H 4.33 0.05 1 95 . 16 PRO HB2 H 1.92 0.05 1 96 . 16 PRO HB3 H 2.31 0.05 1 97 . 16 PRO C C 174.87 0.05 1 98 . 16 PRO CA C 61.16 0.05 1 99 . 16 PRO CB C 29.82 0.05 1 100 . 17 SER H H 8.26 0.05 1 101 . 17 SER HA H 4.33 0.05 1 102 . 17 SER HB2 H 3.83 0.05 2 103 . 17 SER C C 172.85 0.05 1 104 . 17 SER CA C 56.58 0.05 1 105 . 17 SER CB C 61.90 0.05 1 106 . 17 SER N N 115.20 0.05 1 107 . 18 GLU H H 8.43 0.05 1 108 . 18 GLU HA H 4.20 0.05 1 109 . 18 GLU HB2 H 1.83 0.05 1 110 . 18 GLU HB3 H 2.05 0.05 1 111 . 18 GLU C C 174.03 0.05 1 112 . 18 GLU CA C 54.90 0.05 1 113 . 18 GLU CB C 27.78 0.05 1 114 . 18 GLU N N 121.66 0.05 1 115 . 19 PHE H H 8.01 0.05 1 116 . 19 PHE HA H 4.66 0.05 1 117 . 19 PHE HB2 H 3.14 0.05 1 118 . 19 PHE HB3 H 2.93 0.05 1 119 . 19 PHE C C 173.50 0.05 1 120 . 19 PHE CA C 55.40 0.05 1 121 . 19 PHE CB C 36.95 0.05 1 122 . 19 PHE N N 119.20 0.05 1 123 . 20 SER H H 8.03 0.05 1 124 . 20 SER HA H 4.43 0.05 1 125 . 20 SER HB2 H 3.70 0.05 2 126 . 20 SER C C 171.92 0.05 1 127 . 20 SER CA C 56.06 0.05 1 128 . 20 SER CB C 61.90 0.05 1 129 . 20 SER N N 116.38 0.05 1 130 . 21 ILE H H 8.00 0.05 1 131 . 21 ILE HA H 4.22 0.05 1 132 . 21 ILE HB H 1.82 0.05 2 133 . 21 ILE C C 173.89 0.05 1 134 . 21 ILE CA C 58.87 0.05 1 135 . 21 ILE CB C 36.69 0.05 1 136 . 21 ILE N N 121.40 0.05 1 137 . 22 SER H H 8.35 0.05 1 138 . 22 SER HA H 4.74 0.05 1 139 . 22 SER HB2 H 3.81 0.05 2 140 . 22 SER CA C 54.12 0.05 1 141 . 22 SER CB C 61.36 0.05 1 142 . 22 SER N N 120.57 0.05 1 143 . 23 PRO HA H 4.39 0.05 1 144 . 23 PRO C C 175.60 0.05 1 145 . 23 PRO CA C 61.78 0.05 1 146 . 23 PRO CB C 29.56 0.05 1 147 . 24 GLY H H 8.32 0.05 1 148 . 24 GLY HA2 H 3.90 0.05 2 149 . 24 GLY C C 172.17 0.05 1 150 . 24 GLY CA C 43.20 0.05 1 151 . 24 GLY N N 108.21 0.05 1 152 . 25 GLU H H 8.01 0.05 1 153 . 25 GLU HA H 4.25 0.05 1 154 . 25 GLU HB2 H 2.22 0.05 1 155 . 25 GLU HB3 H 1.96 0.05 1 156 . 25 GLU C C 174.28 0.05 1 157 . 25 GLU CA C 54.32 0.05 1 158 . 25 GLU CB C 28.54 0.05 1 159 . 25 GLU N N 119.98 0.05 1 160 . 26 LYS H H 8.21 0.05 1 161 . 26 LYS HA H 4.28 0.05 1 162 . 26 LYS HB2 H 1.71 0.05 2 163 . 26 LYS C C 174.10 0.05 1 164 . 26 LYS CA C 54.18 0.05 1 165 . 26 LYS CB C 30.83 0.05 1 166 . 26 LYS N N 121.47 0.05 1 167 . 27 ILE H H 8.03 0.05 1 168 . 27 ILE HA H 4.08 0.05 1 169 . 27 ILE HB H 1.70 0.05 1 170 . 27 ILE C C 173.68 0.05 1 171 . 27 ILE CA C 58.85 0.05 1 172 . 27 ILE CB C 36.44 0.05 1 173 . 27 ILE N N 122.07 0.05 1 174 . 28 VAL H H 8.02 0.05 1 175 . 28 VAL HA H 4.06 0.05 1 176 . 28 VAL HB H 1.91 0.05 1 177 . 28 VAL C C 173.49 0.05 1 178 . 28 VAL CA C 59.85 0.05 1 179 . 28 VAL CB C 30.83 0.05 1 180 . 28 VAL N N 123.89 0.05 1 181 . 29 PHE H H 8.21 0.05 1 182 . 29 PHE HA H 4.63 0.05 1 183 . 29 PHE HB2 H 3.08 0.05 1 184 . 29 PHE HB3 H 2.89 0.05 1 185 . 29 PHE C C 173.51 0.05 1 186 . 29 PHE CA C 55.35 0.05 1 187 . 29 PHE CB C 37.45 0.05 1 188 . 29 PHE N N 123.66 0.05 1 189 . 30 LYS H H 8.19 0.05 1 190 . 30 LYS HA H 4.14 0.05 1 191 . 30 LYS HB2 H 1.67 0.05 2 192 . 30 LYS C C 173.76 0.05 1 193 . 30 LYS CA C 54.10 0.05 1 194 . 30 LYS CB C 31.34 0.05 1 195 . 30 LYS N N 122.45 0.05 1 196 . 31 ASN H H 8.36 0.05 1 197 . 31 ASN HA H 4.60 0.05 1 198 . 31 ASN HB2 H 2.71 0.05 2 199 . 31 ASN CA C 51.71 0.05 1 200 . 31 ASN CB C 36.44 0.05 1 201 . 31 ASN N N 119.24 0.05 1 202 . 32 ASN H H 8.17 0.05 1 203 . 32 ASN HA H 4.53 0.05 1 204 . 32 ASN HB2 H 2.71 0.05 1 205 . 32 ASN HB3 H 2.65 0.05 1 206 . 32 ASN C C 172.92 0.05 1 207 . 32 ASN CA C 51.27 0.05 1 208 . 32 ASN CB C 36.89 0.05 1 209 . 32 ASN N N 120.34 0.05 1 210 . 33 ALA H H 8.13 0.05 1 211 . 33 ALA HA H 4.32 0.05 1 212 . 33 ALA HB H 1.58 0.05 1 213 . 33 ALA C C 175.78 0.05 1 214 . 33 ALA CA C 50.69 0.05 1 215 . 33 ALA CB C 17.09 0.05 1 216 . 33 ALA N N 123.22 0.05 1 217 . 34 GLY H H 8.14 0.05 1 218 . 34 GLY HA2 H 3.79 0.05 2 219 . 34 GLY C C 171.45 0.05 1 220 . 34 GLY CA C 43.00 0.05 1 221 . 34 GLY N N 106.43 0.05 1 222 . 35 PHE H H 7.90 0.05 1 223 . 35 PHE HA H 4.81 0.05 1 224 . 35 PHE HB2 H 3.07 0.05 1 225 . 35 PHE HB3 H 2.88 0.05 1 226 . 35 PHE CA C 53.50 0.05 1 227 . 35 PHE CB C 36.71 0.05 1 228 . 35 PHE N N 120.19 0.05 1 229 . 36 PRO HA H 4.41 0.05 1 230 . 36 PRO C C 174.51 0.05 1 231 . 36 PRO CA C 61.16 0.05 1 232 . 36 PRO CB C 29.82 0.05 1 233 . 37 HIS H H 8.35 0.05 1 234 . 37 HIS HA H 4.62 0.05 1 235 . 37 HIS HB2 H 3.13 0.05 2 236 . 37 HIS CA C 53.24 0.05 1 237 . 37 HIS CB C 24.72 0.05 1 238 . 37 HIS N N 117.94 0.05 1 239 . 38 ASN H H 8.37 0.05 1 240 . 38 ASN HA H 4.57 0.05 1 241 . 38 ASN HB2 H 2.83 0.05 2 242 . 38 ASN C C 172.62 0.05 1 243 . 38 ASN CA C 51.26 0.05 1 244 . 38 ASN CB C 36.69 0.05 1 245 . 38 ASN N N 119.30 0.05 1 246 . 39 ILE H H 7.96 0.05 1 247 . 39 ILE HA H 4.12 0.05 1 248 . 39 ILE HB H 1.70 0.05 1 249 . 39 ILE C C 173.47 0.05 1 250 . 39 ILE CA C 59.07 0.05 1 251 . 39 ILE CB C 36.65 0.05 1 252 . 39 ILE N N 120.40 0.05 1 253 . 40 VAL H H 7.97 0.05 1 254 . 40 VAL HA H 4.03 0.05 1 255 . 40 VAL HB H 1.88 0.05 1 256 . 40 VAL C C 173.49 0.05 1 257 . 40 VAL CA C 59.82 0.05 1 258 . 40 VAL CB C 30.83 0.05 1 259 . 40 VAL N N 123.33 0.05 1 260 . 41 PHE H H 8.24 0.05 1 261 . 41 PHE HA H 4.63 0.05 1 262 . 41 PHE HB2 H 3.09 0.05 1 263 . 41 PHE HB3 H 2.93 0.05 1 264 . 41 PHE C C 173.17 0.05 1 265 . 41 PHE CA C 55.41 0.05 1 266 . 41 PHE CB C 37.71 0.05 1 267 . 41 PHE N N 123.94 0.05 1 268 . 42 ASP H H 8.22 0.05 1 269 . 42 ASP HA H 4.58 0.05 1 270 . 42 ASP HB2 H 2.61 0.05 1 271 . 42 ASP HB3 H 2.54 0.05 1 272 . 42 ASP C C 174.22 0.05 1 273 . 42 ASP CA C 51.95 0.05 1 274 . 42 ASP CB C 38.98 0.05 1 275 . 42 ASP N N 121.76 0.05 1 276 . 43 GLU H H 8.39 0.05 1 277 . 43 GLU HA H 4.18 0.05 1 278 . 43 GLU HB2 H 1.94 0.05 1 279 . 43 GLU HB3 H 2.06 0.05 1 280 . 43 GLU C C 174.39 0.05 1 281 . 43 GLU CA C 55.15 0.05 1 282 . 43 GLU CB C 27.78 0.05 1 283 . 43 GLU N N 121.00 0.05 1 284 . 44 ASP H H 8.28 0.05 1 285 . 44 ASP HA H 4.62 0.05 1 286 . 44 ASP HB2 H 2.66 0.05 2 287 . 44 ASP C C 174.26 0.05 1 288 . 44 ASP CA C 52.52 0.05 1 289 . 44 ASP CB C 38.98 0.05 1 290 . 44 ASP N N 119.41 0.05 1 291 . 45 SER H H 7.97 0.05 1 292 . 45 SER HA H 4.39 0.05 1 293 . 45 SER HB2 H 3.81 0.05 2 294 . 45 SER C C 172.00 0.05 1 295 . 45 SER CA C 56.30 0.05 1 296 . 45 SER CB C 61.89 0.05 1 297 . 45 SER N N 114.66 0.05 1 298 . 46 ILE H H 7.93 0.05 1 299 . 46 ILE HA H 4.41 0.05 1 300 . 46 ILE CA C 56.70 0.05 1 301 . 46 ILE CB C 36.42 0.05 1 302 . 46 ILE N N 123.09 0.05 1 303 . 47 PRO HA H 4.40 0.05 1 304 . 47 PRO HB2 H 1.90 0.05 1 305 . 47 PRO HB3 H 2.51 0.05 1 306 . 47 PRO C C 174.87 0.05 1 307 . 47 PRO CA C 61.21 0.05 1 308 . 47 PRO CB C 29.82 0.05 1 309 . 48 SER H H 8.32 0.05 1 310 . 48 SER HA H 4.40 0.05 1 311 . 48 SER HB2 H 3.85 0.05 2 312 . 48 SER C C 173.27 0.05 1 313 . 48 SER CA C 56.43 0.05 1 314 . 48 SER CB C 61.89 0.05 1 315 . 48 SER N N 115.45 0.05 1 316 . 49 GLY H H 8.37 0.05 1 317 . 49 GLY HA2 H 3.96 0.05 2 318 . 49 GLY C C 172.24 0.05 1 319 . 49 GLY CA C 43.38 0.05 1 320 . 49 GLY N N 110.23 0.05 1 321 . 50 VAL H H 7.86 0.05 1 322 . 50 VAL HA H 4.07 0.05 1 323 . 50 VAL HB H 2.02 0.05 1 324 . 50 VAL C C 173.79 0.05 1 325 . 50 VAL CA C 60.23 0.05 1 326 . 50 VAL CB C 30.69 0.05 1 327 . 50 VAL N N 118.46 0.05 1 328 . 51 ASP H H 8.27 0.05 1 329 . 51 ASP HA H 4.57 0.05 1 330 . 51 ASP HB2 H 2.62 0.05 1 331 . 51 ASP HB3 H 2.69 0.05 1 332 . 51 ASP C C 174.32 0.05 1 333 . 51 ASP CA C 52.00 0.05 1 334 . 51 ASP CB C 39.75 0.05 1 335 . 51 ASP N N 123.29 0.05 1 336 . 52 ALA H H 8.29 0.05 1 337 . 52 ALA HA H 4.24 0.05 1 338 . 52 ALA HB H 1.36 0.05 1 339 . 52 ALA C C 176.17 0.05 1 340 . 52 ALA CA C 51.09 0.05 1 341 . 52 ALA CB C 16.83 0.05 1 342 . 52 ALA N N 125.36 0.05 1 343 . 53 SER H H 8.28 0.05 1 344 . 53 SER HA H 4.32 0.05 1 345 . 53 SER HB2 H 3.88 0.05 2 346 . 53 SER C C 172.95 0.05 1 347 . 53 SER CA C 57.30 0.05 1 348 . 53 SER CB C 61.64 0.05 1 349 . 53 SER N N 113.62 0.05 1 350 . 54 LYS H H 7.91 0.05 1 351 . 54 LYS HA H 4.31 0.05 1 352 . 54 LYS HB2 H 1.84 0.05 1 353 . 54 LYS HB3 H 1.76 0.05 1 354 . 54 LYS C C 174.51 0.05 1 355 . 54 LYS CA C 54.15 0.05 1 356 . 54 LYS CB C 30.59 0.05 1 357 . 54 LYS N N 121.68 0.05 1 358 . 55 ILE H H 7.82 0.05 1 359 . 55 ILE HA H 4.12 0.05 1 360 . 55 ILE HB H 1.84 0.05 1 361 . 55 ILE C C 174.08 0.05 1 362 . 55 ILE CA C 59.21 0.05 1 363 . 55 ILE CB C 36.69 0.05 1 364 . 55 ILE N N 120.21 0.05 1 365 . 56 SER H H 8.24 0.05 1 366 . 56 SER HA H 4.45 0.05 1 367 . 56 SER HB2 H 3.81 0.05 2 368 . 56 SER C C 172.32 0.05 1 369 . 56 SER CA C 56.04 0.05 1 370 . 56 SER CB C 61.90 0.05 1 371 . 56 SER N N 118.79 0.05 1 372 . 57 MET H H 8.28 0.05 1 373 . 57 MET HA H 4.54 0.05 1 374 . 57 MET HB2 H 1.97 0.05 2 375 . 57 MET C C 174.01 0.05 1 376 . 57 MET CA C 53.50 0.05 1 377 . 57 MET CB C 31.34 0.05 1 378 . 57 MET N N 122.12 0.05 1 379 . 58 SER H H 8.50 0.05 1 380 . 58 SER HA H 4.47 0.05 1 381 . 58 SER HB2 H 3.89 0.05 2 382 . 58 SER C C 172.82 0.05 1 383 . 58 SER CA C 56.00 0.05 1 384 . 58 SER CB C 62.15 0.05 1 385 . 58 SER N N 116.91 0.05 1 386 . 59 GLU H H 8.58 0.05 1 387 . 59 GLU HA H 4.16 0.05 1 388 . 59 GLU HB2 H 1.97 0.05 2 389 . 59 GLU C C 175.41 0.05 1 390 . 59 GLU CA C 55.85 0.05 1 391 . 59 GLU CB C 27.53 0.05 1 392 . 59 GLU N N 122.22 0.05 1 393 . 60 GLU H H 8.36 0.05 1 394 . 60 GLU HA H 4.09 0.05 1 395 . 60 GLU HB2 H 1.93 0.05 1 396 . 60 GLU HB3 H 2.22 0.05 1 397 . 60 GLU CA C 55.86 0.05 1 398 . 60 GLU CB C 27.53 0.05 1 399 . 60 GLU N N 119.39 0.05 1 400 . 61 ASP H H 8.04 0.05 1 401 . 61 ASP HA H 4.53 0.05 1 402 . 61 ASP HB2 H 2.67 0.05 2 403 . 61 ASP C C 175.31 0.05 1 404 . 61 ASP CA C 53.32 0.05 1 405 . 61 ASP CB C 38.73 0.05 1 406 . 61 ASP N N 119.84 0.05 1 407 . 62 LEU H H 7.94 0.05 1 408 . 62 LEU HA H 4.19 0.05 1 409 . 62 LEU HB2 H 1.61 0.05 1 410 . 62 LEU HB3 H 1.65 0.05 1 411 . 62 LEU C C 176.27 0.05 1 412 . 62 LEU CA C 54.20 0.05 1 413 . 62 LEU CB C 39.75 0.05 1 414 . 62 LEU N N 121.06 0.05 1 415 . 63 LEU H H 7.95 0.05 1 416 . 63 LEU HA H 4.21 0.05 1 417 . 63 LEU HB2 H 1.65 0.05 1 418 . 63 LEU HB3 H 1.56 0.05 1 419 . 63 LEU C C 175.94 0.05 1 420 . 63 LEU CA C 54.16 0.05 1 421 . 63 LEU CB C 39.75 0.05 1 422 . 63 LEU N N 119.71 0.05 1 423 . 64 ASN H H 8.00 0.05 1 424 . 64 ASN HA H 4.64 0.05 1 425 . 64 ASN HB2 H 2.76 0.05 2 426 . 64 ASN C C 173.36 0.05 1 427 . 64 ASN CA C 51.45 0.05 1 428 . 64 ASN CB C 36.69 0.05 1 429 . 64 ASN N N 117.17 0.05 1 430 . 65 ALA H H 7.93 0.05 1 431 . 65 ALA HA H 4.25 0.05 1 432 . 65 ALA HB H 1.36 0.05 1 433 . 65 ALA C C 175.85 0.05 1 434 . 65 ALA CA C 50.90 0.05 1 435 . 65 ALA CB C 16.83 0.05 1 436 . 65 ALA N N 123.09 0.05 1 437 . 66 LYS H H 8.09 0.05 1 438 . 66 LYS HA H 4.28 0.05 1 439 . 66 LYS HB2 H 1.77 0.05 2 440 . 66 LYS C C 175.11 0.05 1 441 . 66 LYS CA C 54.35 0.05 1 442 . 66 LYS CB C 30.58 0.05 1 443 . 66 LYS N N 118.74 0.05 1 444 . 67 GLY H H 8.16 0.05 1 445 . 67 GLY HA2 H 3.91 0.05 2 446 . 67 GLY C C 172.08 0.05 1 447 . 67 GLY CA C 43.30 0.05 1 448 . 67 GLY N N 108.48 0.05 1 449 . 68 GLU H H 8.19 0.05 1 450 . 68 GLU HA H 4.29 0.05 1 451 . 68 GLU HB2 H 1.87 0.05 1 452 . 68 GLU HB3 H 2.17 0.05 1 453 . 68 GLU C C 174.57 0.05 1 454 . 68 GLU CA C 54.41 0.05 1 455 . 68 GLU CB C 28.29 0.05 1 456 . 68 GLU N N 119.92 0.05 1 457 . 69 THR H H 8.05 0.05 1 458 . 69 THR HA H 4.27 0.05 1 459 . 69 THR HB H 4.10 0.05 1 460 . 69 THR C C 172.20 0.05 1 461 . 69 THR CA C 59.64 0.05 1 462 . 69 THR CB C 68.00 0.05 1 463 . 69 THR N N 113.81 0.05 1 464 . 70 PHE H H 8.14 0.05 1 465 . 70 PHE HA H 4.59 0.05 1 466 . 70 PHE HB2 H 3.09 0.05 1 467 . 70 PHE HB3 H 2.97 0.05 1 468 . 70 PHE C C 173.42 0.05 1 469 . 70 PHE CA C 55.67 0.05 1 470 . 70 PHE CB C 37.45 0.05 1 471 . 70 PHE N N 121.65 0.05 1 472 . 71 GLU H H 8.25 0.05 1 473 . 71 GLU HA H 4.27 0.05 1 474 . 71 GLU HB2 H 1.87 0.05 1 475 . 71 GLU HB3 H 2.17 0.05 1 476 . 71 GLU C C 174.33 0.05 1 477 . 71 GLU CA C 54.45 0.05 1 478 . 71 GLU CB C 28.29 0.05 1 479 . 71 GLU N N 121.59 0.05 1 480 . 72 VAL H H 8.01 0.05 1 481 . 72 VAL HA H 4.01 0.05 1 482 . 72 VAL HB H 2.02 0.05 1 483 . 72 VAL C C 173.93 0.05 1 484 . 72 VAL CA C 60.47 0.05 1 485 . 72 VAL CB C 30.58 0.05 1 486 . 72 VAL N N 120.70 0.05 1 487 . 73 ALA H H 8.26 0.05 1 488 . 73 ALA HA H 4.29 0.05 1 489 . 73 ALA HB H 1.34 0.05 1 490 . 73 ALA C C 175.71 0.05 1 491 . 73 ALA CA C 50.43 0.05 1 492 . 73 ALA CB C 17.09 0.05 1 493 . 73 ALA N N 126.48 0.05 1 494 . 74 LEU H H 8.05 0.05 1 495 . 74 LEU HA H 4.32 0.05 1 496 . 74 LEU HB2 H 1.57 0.05 2 497 . 74 LEU C C 175.59 0.05 1 498 . 74 LEU CA C 53.24 0.05 1 499 . 74 LEU CB C 40.00 0.05 1 500 . 74 LEU N N 120.53 0.05 1 501 . 75 SER H H 8.12 0.05 1 502 . 75 SER HA H 4.39 0.05 1 503 . 75 SER HB2 H 3.84 0.05 2 504 . 75 SER C C 172.60 0.05 1 505 . 75 SER CA C 56.33 0.05 1 506 . 75 SER CB C 61.64 0.05 1 507 . 75 SER N N 115.12 0.05 1 508 . 76 ASN H H 8.32 0.05 1 509 . 76 ASN HA H 4.63 0.05 1 510 . 76 ASN HB2 H 2.76 0.05 2 511 . 76 ASN CA C 51.25 0.05 1 512 . 76 ASN CB C 36.69 0.05 1 513 . 76 ASN N N 119.91 0.05 1 514 . 77 LYS H H 8.19 0.05 1 515 . 77 LYS HA H 4.24 0.05 1 516 . 77 LYS HB2 H 1.71 0.05 2 517 . 77 LYS C C 174.97 0.05 1 518 . 77 LYS CA C 54.53 0.05 1 519 . 77 LYS CB C 30.58 0.05 1 520 . 77 LYS N N 120.36 0.05 1 521 . 78 GLY H H 8.25 0.05 1 522 . 78 GLY HA2 H 3.89 0.05 2 523 . 78 GLY C C 172.10 0.05 1 524 . 78 GLY CA C 43.35 0.05 1 525 . 78 GLY N N 108.54 0.05 1 526 . 79 GLU H H 8.09 0.05 1 527 . 79 GLU HA H 4.47 0.05 1 528 . 79 GLU HB2 H 1.96 0.05 2 529 . 79 GLU CA C 54.30 0.05 1 530 . 79 GLU CB C 27.53 0.05 1 531 . 79 GLU N N 119.21 0.05 1 532 . 80 TYR H H 8.01 0.05 1 533 . 80 TYR HA H 4.53 0.05 1 534 . 80 TYR HB2 H 2.90 0.05 1 535 . 80 TYR HB3 H 2.94 0.05 1 536 . 80 TYR C C 173.86 0.05 1 537 . 80 TYR CA C 55.70 0.05 1 538 . 80 TYR CB C 36.95 0.05 1 539 . 80 TYR N N 119.91 0.05 1 540 . 81 SER H H 8.02 0.05 1 541 . 81 SER HA H 4.41 0.05 1 542 . 81 SER HB2 H 3.77 0.05 2 543 . 81 SER CA C 56.00 0.05 1 544 . 81 SER CB C 61.90 0.05 1 545 . 81 SER N N 116.43 0.05 1 546 . 82 PHE H H 7.94 0.05 1 547 . 82 PHE HA H 4.59 0.05 1 548 . 82 PHE HB2 H 2.93 0.05 2 549 . 82 PHE CA C 55.90 0.05 1 550 . 82 PHE CB C 36.95 0.05 1 551 . 82 PHE N N 120.99 0.05 1 552 . 83 TYR H H 7.99 0.05 1 553 . 83 TYR C C 171.92 0.05 1 554 . 83 TYR CA C 55.90 0.05 1 555 . 83 TYR CB C 39.49 0.05 1 556 . 83 TYR N N 120.14 0.05 1 557 . 84 CYS H H 8.18 0.05 1 558 . 84 CYS HA H 4.64 0.05 1 559 . 84 CYS HB2 H 3.80 0.05 2 560 . 84 CYS C C 172.96 0.05 1 561 . 84 CYS CA C 55.50 0.05 1 562 . 84 CYS CB C 27.67 0.05 1 563 . 84 CYS N N 118.63 0.05 1 564 . 85 SER H H 8.32 0.05 1 565 . 85 SER HA H 4.61 0.05 1 566 . 85 SER HB2 H 4.12 0.05 1 567 . 85 SER HB3 H 3.89 0.05 1 568 . 85 SER CA C 55.50 0.05 1 569 . 85 SER CB C 61.36 0.05 1 570 . 85 SER N N 119.92 0.05 1 571 . 86 PRO CA C 61.39 0.05 1 572 . 86 PRO CB C 29.82 0.05 1 573 . 87 HIS CA C 54.26 0.05 1 574 . 87 HIS CB C 28.29 0.05 1 575 . 88 GLN H H 8.03 0.05 1 576 . 88 GLN C C 174.23 0.05 1 577 . 88 GLN CA C 54.00 0.05 1 578 . 88 GLN CB C 27.27 0.05 1 579 . 88 GLN N N 120.44 0.05 1 580 . 89 GLY H H 8.37 0.05 1 581 . 89 GLY HA2 H 3.91 0.05 2 582 . 89 GLY C C 171.83 0.05 1 583 . 89 GLY CA C 43.24 0.05 1 584 . 89 GLY N N 109.74 0.05 1 585 . 90 ALA H H 8.15 0.05 1 586 . 90 ALA HA H 4.33 0.05 1 587 . 90 ALA HB H 1.32 0.05 1 588 . 90 ALA C C 176.24 0.05 1 589 . 90 ALA CA C 50.60 0.05 1 590 . 90 ALA CB C 17.09 0.05 1 591 . 90 ALA N N 123.26 0.05 1 592 . 91 GLY H H 8.35 0.05 1 593 . 91 GLY HA2 H 3.89 0.05 2 594 . 91 GLY C C 172.12 0.05 1 595 . 91 GLY CA C 43.35 0.05 1 596 . 91 GLY N N 107.17 0.05 1 597 . 92 MET H H 8.11 0.05 1 598 . 92 MET HA H 4.22 0.05 1 599 . 92 MET HB2 H 1.83 0.05 1 600 . 92 MET HB3 H 2.08 0.05 1 601 . 92 MET C C 173.27 0.05 1 602 . 92 MET CA C 54.02 0.05 1 603 . 92 MET CB C 30.50 0.05 1 604 . 92 MET N N 120.00 0.05 1 605 . 93 VAL H H 8.03 0.05 1 606 . 93 VAL HA H 4.07 0.05 1 607 . 93 VAL HB H 2.04 0.05 1 608 . 93 VAL C C 174.48 0.05 1 609 . 93 VAL CA C 60.40 0.05 1 610 . 93 VAL CB C 30.33 0.05 1 611 . 93 VAL N N 120.40 0.05 1 612 . 94 GLY H H 8.37 0.05 1 613 . 94 GLY HA2 H 3.92 0.05 2 614 . 94 GLY C C 171.65 0.05 1 615 . 94 GLY CA C 43.09 0.05 1 616 . 94 GLY N N 111.87 0.05 1 617 . 95 LYS H H 8.03 0.05 1 618 . 95 LYS HA H 4.07 0.05 1 619 . 95 LYS HB2 H 1.75 0.05 1 620 . 95 LYS HB3 H 1.57 0.05 1 621 . 95 LYS C C 174.37 0.05 1 622 . 95 LYS CA C 54.13 0.05 1 623 . 95 LYS CB C 31.09 0.05 1 624 . 95 LYS N N 120.59 0.05 1 625 . 96 VAL H H 8.16 0.05 1 626 . 96 VAL HA H 4.18 0.05 1 627 . 96 VAL HB H 2.02 0.05 1 628 . 96 VAL C C 174.14 0.05 1 629 . 96 VAL CA C 60.04 0.05 1 630 . 96 VAL CB C 30.83 0.05 1 631 . 96 VAL N N 121.24 0.05 1 632 . 97 THR H H 8.20 0.05 1 633 . 97 THR HA H 4.39 0.05 1 634 . 97 THR HB H 4.15 0.05 1 635 . 97 THR C C 172.10 0.05 1 636 . 97 THR CA C 59.58 0.05 1 637 . 97 THR CB C 68.01 0.05 1 638 . 97 THR N N 118.48 0.05 1 639 . 98 VAL H H 8.15 0.05 1 640 . 98 VAL HA H 4.14 0.05 1 641 . 98 VAL HB H 2.05 0.05 1 642 . 98 VAL C C 172.86 0.05 1 643 . 98 VAL CA C 60.10 0.05 1 644 . 98 VAL CB C 30.58 0.05 1 645 . 98 VAL N N 122.10 0.05 1 646 . 99 ASN H H 7.96 0.05 1 647 . 99 ASN HA H 4.44 0.05 1 648 . 99 ASN HB2 H 2.62 0.05 1 649 . 99 ASN HB3 H 2.71 0.05 1 650 . 99 ASN CA C 52.68 0.05 1 651 . 99 ASN CB C 38.47 0.05 1 652 . 99 ASN N N 127.01 0.05 1 stop_ save_