data_5360 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; PsaE sub-unit of the photosystem I of the cyanobacterium Synechocystis sp. PCC 6803 ; _BMRB_accession_number 5360 _BMRB_flat_file_name bmr5360.str _Entry_type original _Submission_date 2002-05-03 _Accession_date 2002-05-03 _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 Barth P. . . 2 Savarin P. . . 3 Gilquin B. . . 4 Lagoutte B. . . 5 Ochsenbein F. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 417 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-02-25 original author . stop_ _Original_release_date 2003-02-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR Structure and Backbone Dynamics of the PsaE Subunit of the Photosystem I from Synechocystis sp. PCC 6803 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22325495 _PubMed_ID 12437347 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barth Patrick . . 2 Savarin Philippe . . 3 Gilquin Bernard . . 4 Lagoutte Bernard . . 5 Ochsenbein Francoise . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 41 _Journal_issue 47 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13902 _Page_last 13914 _Year 2002 _Details . save_ ################################## # Molecular system description # ################################## save_system_PsaE _Saveframe_category molecular_system _Mol_system_name 'Photosystem I reaction center subunit E' _Abbreviation_common PsaE _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PsaE monomer' $PsaE stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PsaE _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Photosystem I reaction center subunit E' _Abbreviation_common PsaE _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 73 _Mol_residue_sequence ; ALNRGDKVRIKRTESYWYGD VGTVASVEKSGILYPVIVRF DRVNYNGFSGSASGVNTNNF AENELELVQAAAK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 LEU 3 ASN 4 ARG 5 GLY 6 ASP 7 LYS 8 VAL 9 ARG 10 ILE 11 LYS 12 ARG 13 THR 14 GLU 15 SER 16 TYR 17 TRP 18 TYR 19 GLY 20 ASP 21 VAL 22 GLY 23 THR 24 VAL 25 ALA 26 SER 27 VAL 28 GLU 29 LYS 30 SER 31 GLY 32 ILE 33 LEU 34 TYR 35 PRO 36 VAL 37 ILE 38 VAL 39 ARG 40 PHE 41 ASP 42 ARG 43 VAL 44 ASN 45 TYR 46 ASN 47 GLY 48 PHE 49 SER 50 GLY 51 SER 52 ALA 53 SER 54 GLY 55 VAL 56 ASN 57 THR 58 ASN 59 ASN 60 PHE 61 ALA 62 GLU 63 ASN 64 GLU 65 LEU 66 GLU 67 LEU 68 VAL 69 GLN 70 ALA 71 ALA 72 ALA 73 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1GXI "Psae Sub-Unit Of The Photosystem I Of The Cyanobacterium Synechocystis Sp. Pcc 6803" 100.00 73 100.00 100.00 9.05e-44 PDB 4KT0 "Crystal Structure Of A Virus Like Photosystem I From The Cyanobacterium Synechocystis Pcc 6803" 100.00 74 100.00 100.00 6.09e-44 PDB 4L6V "Crystal Structure Of A Virus Like Photosystem I From The Cyanobacterium Synechocystis Pcc 6803" 100.00 74 100.00 100.00 6.09e-44 DBJ BAA18383 "photosystem I subunit IV [Synechocystis sp. PCC 6803]" 100.00 74 100.00 100.00 6.09e-44 DBJ BAK50556 "photosystem I subunit IV [Synechocystis sp. PCC 6803]" 100.00 74 100.00 100.00 6.09e-44 DBJ BAL29555 "photosystem I subunit IV [Synechocystis sp. PCC 6803 substr. GT-I]" 100.00 74 100.00 100.00 6.09e-44 DBJ BAL32724 "photosystem I subunit IV [Synechocystis sp. PCC 6803 substr. PCC-N]" 100.00 74 100.00 100.00 6.09e-44 DBJ BAL35893 "photosystem I subunit IV [Synechocystis sp. PCC 6803 substr. PCC-P]" 100.00 74 100.00 100.00 6.09e-44 GB AAA88629 "photosystem I subunit III [Synechocystis sp.]" 100.00 74 98.63 98.63 5.42e-43 GB AAB26646 "photosystem I subunit E, PSI-E [Synechocystis]" 84.93 62 100.00 100.00 1.42e-35 GB AGF52071 "photosystem I subunit IV [Synechocystis sp. PCC 6803]" 100.00 74 100.00 100.00 6.09e-44 GB AIE74398 "photosystem I subunit IV (PsaE) [Synechocystis sp. PCC 6714]" 100.00 74 98.63 100.00 3.11e-43 REF NP_441703 "photosystem I reaction center subunit IV [Synechocystis sp. PCC 6803]" 100.00 74 100.00 100.00 6.09e-44 REF WP_010873003 "photosystem I reaction center subunit IV [Synechocystis sp. PCC 6803]" 100.00 74 100.00 100.00 6.09e-44 REF YP_005383570 "photosystem I subunit IV [Synechocystis sp. PCC 6803 substr. GT-I]" 100.00 74 100.00 100.00 6.09e-44 REF YP_005386739 "photosystem I subunit IV [Synechocystis sp. PCC 6803 substr. PCC-P]" 100.00 74 100.00 100.00 6.09e-44 REF YP_005409446 "photosystem I subunit IV [Synechocystis sp. PCC 6803 substr. PCC-N]" 100.00 74 100.00 100.00 6.09e-44 SP P12975 "RecName: Full=Photosystem I reaction center subunit IV; AltName: Full=Photosystem I 8.1 kDa protein; AltName: Full=p30 protein " 100.00 74 100.00 100.00 6.09e-44 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 $PsaE . 1148 Eubacteria . Synechocystis sp 'PCC 6803' 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 $PsaE '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 $PsaE 0.5 mM . 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 Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _Sample_label . save_ save_HMQC-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name HMQC-COSY _Sample_label . save_ save_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label . save_ save_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ save_NOESY-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-HSQC _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HMQC-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-HSQC _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 5.3 0.2 n/a temperature 293 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 TSP H 1 'methyl protons' ppm 0.00 internal direct cylindrical internal parallel_to_Bo stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label HSQC HMQC-COSY TOCSY NOESY NOESY-HSQC stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'PsaE monomer' _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 ALA HA H 4.18 0.005 . 2 . 1 ALA HB H 1.49 0.005 . 3 . 2 LEU H H 8.60 0.005 . 4 . 2 LEU HA H 4.51 0.005 . 5 . 2 LEU HB2 H 1.64 0.005 . 6 . 2 LEU HB3 H 1.54 0.005 . 7 . 2 LEU HG H 1.22 0.005 . 8 . 2 LEU HD1 H 0.83 0.005 . 9 . 2 LEU HD2 H 0.7 0.005 . 10 . 3 ASN H H 9.07 0.005 . 11 . 3 ASN HA H 4.84 0.005 . 12 . 3 ASN HB2 H 2.58 0.005 . 13 . 3 ASN HB3 H 2.54 0.005 . 14 . 3 ASN HD21 H 6.95 0.005 . 15 . 3 ASN HD22 H 8.09 0.005 . 16 . 4 ARG H H 8.53 0.005 . 17 . 4 ARG HA H 3.52 0.005 . 18 . 4 ARG HB2 H 1.65 0.005 . 19 . 4 ARG HB3 H 1.60 0.005 . 20 . 4 ARG HG2 H 1.36 0.005 . 21 . 4 ARG HG3 H 1.36 0.005 . 22 . 4 ARG HD2 H 3.22 0.005 . 23 . 4 ARG HD3 H 3.18 0.005 . 24 . 5 GLY H H 9.16 0.005 . 25 . 5 GLY HA2 H 4.42 0.005 . 26 . 5 GLY HA3 H 3.34 0.005 . 27 . 6 ASP H H 8.14 0.005 . 28 . 6 ASP HA H 4.51 0.005 . 29 . 6 ASP HB2 H 2.66 0.005 . 30 . 6 ASP HB3 H 2.26 0.005 . 31 . 7 LYS H H 8.85 0.005 . 32 . 7 LYS HA H 5.28 0.005 . 33 . 7 LYS HB2 H 1.8 0.005 . 34 . 7 LYS HB3 H 1.44 0.005 . 35 . 7 LYS HG2 H 1.36 0.005 . 36 . 7 LYS HG3 H 1.36 0.005 . 37 . 7 LYS HD2 H 1.55 0.005 . 38 . 7 LYS HD3 H 1.50 0.005 . 39 . 7 LYS HE2 H 2.82 0.005 . 40 . 7 LYS HE3 H 2.82 0.005 . 41 . 8 VAL H H 8.80 0.005 . 42 . 8 VAL HA H 5.27 0.005 . 43 . 8 VAL HB H 1.67 0.005 . 44 . 8 VAL HG1 H 0.61 0.005 . 45 . 8 VAL HG2 H 0.46 0.005 . 46 . 9 ARG H H 9.56 0.005 . 47 . 9 ARG HA H 5.22 0.005 . 48 . 9 ARG HB2 H 1.64 0.005 . 49 . 9 ARG HB3 H 1.60 0.005 . 50 . 9 ARG HG2 H 1.10 0.005 . 51 . 9 ARG HG3 H 1.20 0.005 . 52 . 9 ARG HD2 H 3.00 0.005 . 53 . 9 ARG HD3 H 3.10 0.005 . 54 . 10 ILE H H 8.10 0.005 . 55 . 10 ILE HA H 3.82 0.005 . 56 . 10 ILE HB H 2.58 0.005 . 57 . 10 ILE HG12 H 1.02 0.005 . 58 . 10 ILE HG13 H 1.78 0.005 . 59 . 10 ILE HG2 H 0.97 0.005 . 60 . 11 LYS H H 8.95 0.005 . 61 . 11 LYS HA H 4.60 0.005 . 62 . 11 LYS HB2 H 2.08 0.005 . 63 . 11 LYS HB3 H 1.55 0.005 . 64 . 11 LYS HG2 H 1.30 0.005 . 65 . 11 LYS HG3 H 1.30 0.005 . 66 . 11 LYS HD2 H 1.50 0.005 . 67 . 11 LYS HD3 H 1.50 0.005 . 68 . 11 LYS HE2 H 2.94 0.005 . 69 . 11 LYS HE3 H 2.79 0.005 . 70 . 12 ARG H H 6.62 0.005 . 71 . 12 ARG HA H 4.64 0.005 . 72 . 12 ARG HB2 H 1.84 0.005 . 73 . 12 ARG HB3 H 1.54 0.005 . 74 . 12 ARG HG2 H 2.13 0.005 . 75 . 12 ARG HG3 H 2.01 0.005 . 76 . 12 ARG HD2 H 3.06 0.005 . 77 . 12 ARG HD3 H 3.45 0.005 . 78 . 13 THR H H 8.52 0.005 . 79 . 13 THR HA H 3.76 0.005 . 80 . 13 THR HB H 2.91 0.005 . 81 . 13 THR HG2 H 0.91 0.005 . 82 . 14 GLU H H 8.65 0.005 . 83 . 14 GLU HA H 4.18 0.005 . 84 . 14 GLU HB2 H 1.97 0.005 . 85 . 14 GLU HB3 H 1.87 0.005 . 86 . 14 GLU HG2 H 2.18 0.005 . 87 . 14 GLU HG3 H 2.03 0.005 . 88 . 15 SER H H 7.57 0.005 . 89 . 15 SER HA H 4.39 0.005 . 90 . 15 SER HB2 H 3.98 0.005 . 91 . 15 SER HB3 H 3.92 0.005 . 92 . 16 TYR H H 9.08 0.005 . 93 . 16 TYR HA H 3.91 0.005 . 94 . 16 TYR HB2 H 2.63 0.005 . 95 . 16 TYR HB3 H 1.38 0.005 . 96 . 16 TYR HD1 H 5.56 0.005 . 97 . 16 TYR HD2 H 5.56 0.005 . 98 . 16 TYR HE1 H 6.23 0.005 . 99 . 16 TYR HE2 H 6.23 0.005 . 100 . 17 TRP H H 8.00 0.005 . 101 . 17 TRP HA H 4.16 0.005 . 102 . 17 TRP HB2 H 2.95 0.005 . 103 . 17 TRP HB3 H 2.25 0.005 . 104 . 17 TRP HD1 H 7.02 0.005 . 105 . 17 TRP HE1 H 10.35 0.005 . 106 . 17 TRP HE3 H 7.25 0.005 . 107 . 17 TRP HZ2 H 7.55 0.005 . 108 . 17 TRP HZ3 H 7.55 0.005 . 109 . 17 TRP HH2 H 6.99 0.005 . 110 . 18 TYR H H 7.41 0.005 . 111 . 18 TYR HA H 3.83 0.005 . 112 . 18 TYR HB2 H 3.66 0.005 . 113 . 18 TYR HB3 H 2.58 0.005 . 114 . 18 TYR HD1 H 6.86 0.005 . 115 . 18 TYR HD2 H 6.86 0.005 . 116 . 18 TYR HE1 H 6.73 0.005 . 117 . 18 TYR HE2 H 6.73 0.005 . 118 . 19 GLY H H 8.36 0.005 . 119 . 19 GLY HA2 H 3.10 0.005 . 120 . 19 GLY HA3 H 3.85 0.005 . 121 . 20 ASP H H 8.61 0.005 . 122 . 20 ASP HA H 4.75 0.005 . 123 . 20 ASP HB2 H 2.98 0.005 . 124 . 20 ASP HB3 H 2.75 0.005 . 125 . 21 VAL H H 8.66 0.005 . 126 . 21 VAL HA H 5.04 0.005 . 127 . 21 VAL HB H 1.88 0.005 . 128 . 21 VAL HG1 H 0.84 0.005 . 129 . 21 VAL HG2 H 0.69 0.005 . 130 . 22 GLY H H 9.00 0.005 . 131 . 22 GLY HA2 H 4.57 0.005 . 132 . 22 GLY HA3 H 2.82 0.005 . 133 . 23 THR H H 8.32 0.005 . 134 . 23 THR HA H 4.94 0.005 . 135 . 23 THR HB H 3.57 0.005 . 136 . 23 THR HG2 H 0.96 0.005 . 137 . 24 VAL H H 9.44 0.005 . 138 . 24 VAL HA H 3.63 0.005 . 139 . 24 VAL HB H 2.25 0.005 . 140 . 24 VAL HG1 H 0.79 0.005 . 141 . 24 VAL HG2 H 0.47 0.005 . 142 . 25 ALA H H 9.83 0.005 . 143 . 25 ALA HA H 4.37 0.005 . 144 . 25 ALA HB H 1.22 0.005 . 145 . 26 SER H H 7.67 0.005 . 146 . 26 SER HA H 4.28 0.005 . 147 . 26 SER HB2 H 3.77 0.005 . 148 . 26 SER HB3 H 3.68 0.005 . 149 . 27 VAL H H 8.40 0.005 . 150 . 27 VAL HA H 4.68 0.005 . 151 . 27 VAL HB H 1.88 0.005 . 152 . 27 VAL HG1 H 0.85 0.005 . 153 . 27 VAL HG2 H 0.7 0.005 . 154 . 28 GLU H H 9.44 0.005 . 155 . 28 GLU HA H 4.35 0.005 . 156 . 28 GLU HB2 H 1.94 0.005 . 157 . 28 GLU HB3 H 1.97 0.005 . 158 . 28 GLU HG2 H 2.31 0.005 . 159 . 28 GLU HG3 H 2.20 0.005 . 160 . 29 LYS H H 8.67 0.005 . 161 . 29 LYS HA H 4.33 0.005 . 162 . 29 LYS HB2 H 1.96 0.005 . 163 . 29 LYS HB3 H 1.70 0.005 . 164 . 29 LYS HG2 H 1.43 0.005 . 165 . 29 LYS HG3 H 1.47 0.005 . 166 . 29 LYS HD2 H 1.60 0.005 . 167 . 29 LYS HD3 H 1.74 0.005 . 168 . 29 LYS HE2 H 2.97 0.005 . 169 . 29 LYS HE3 H 2.97 0.005 . 170 . 30 SER H H 7.81 0.005 . 171 . 30 SER HA H 4.32 0.005 . 172 . 30 SER HB2 H 3.94 0.005 . 173 . 30 SER HB3 H 3.84 0.005 . 174 . 31 GLY H H 8.77 0.005 . 175 . 31 GLY HA2 H 4.07 0.005 . 176 . 31 GLY HA3 H 3.76 0.005 . 177 . 32 ILE H H 7.15 0.005 . 178 . 32 ILE HA H 4.18 0.005 . 179 . 32 ILE HB H 2.00 0.005 . 180 . 32 ILE HG12 H 1.03 0.005 . 181 . 32 ILE HG13 H 1.03 0.005 . 182 . 32 ILE HG2 H 0.84 0.005 . 183 . 32 ILE HD1 H 0.75 0.005 . 184 . 33 LEU H H 8.19 0.005 . 185 . 33 LEU HA H 3.81 0.005 . 186 . 33 LEU HB2 H 1.26 0.005 . 187 . 33 LEU HB3 H 1.11 0.005 . 188 . 33 LEU HG H 0.9 0.005 . 189 . 33 LEU HD1 H 0.74 0.005 . 190 . 33 LEU HD2 H 0.64 0.005 . 191 . 34 TYR H H 7.74 0.005 . 192 . 34 TYR HA H 4.68 0.005 . 193 . 34 TYR HB2 H 2.82 0.005 . 194 . 34 TYR HB3 H 2.22 0.005 . 195 . 34 TYR HD1 H 7.11 0.005 . 196 . 34 TYR HD2 H 7.11 0.005 . 197 . 34 TYR HE1 H 6.84 0.005 . 198 . 34 TYR HE2 H 6.84 0.005 . 199 . 35 PRO HA H 4.67 0.005 . 200 . 35 PRO HB2 H 2.22 0.005 . 201 . 35 PRO HB3 H 2.12 0.005 . 202 . 35 PRO HG2 H 1.96 0.005 . 203 . 35 PRO HG3 H 2.02 0.005 . 204 . 35 PRO HD2 H 3.67 0.005 . 205 . 35 PRO HD3 H 3.87 0.005 . 206 . 36 VAL H H 8.83 0.005 . 207 . 36 VAL HA H 4.36 0.005 . 208 . 36 VAL HB H 2.11 0.005 . 209 . 36 VAL HG1 H 0.87 0.005 . 210 . 36 VAL HG2 H 0.7 0.005 . 211 . 37 ILE H H 8.86 0.005 . 212 . 37 ILE HA H 4.40 0.005 . 213 . 37 ILE HB H 1.87 0.005 . 214 . 37 ILE HG12 H 0.95 0.005 . 215 . 37 ILE HG13 H 1.53 0.005 . 216 . 37 ILE HG2 H 0.67 0.005 . 217 . 37 ILE HD1 H 0.77 0.005 . 218 . 38 VAL H H 8.81 0.005 . 219 . 38 VAL HA H 4.20 0.005 . 220 . 38 VAL HB H 1.60 0.005 . 221 . 38 VAL HG1 H 0.65 0.005 . 222 . 39 ARG H H 8.65 0.005 . 223 . 39 ARG HA H 4.80 0.005 . 224 . 39 ARG HB2 H 1.54 0.005 . 225 . 39 ARG HB3 H 1.40 0.005 . 226 . 39 ARG HG2 H 1.47 0.005 . 227 . 39 ARG HG3 H 1.47 0.005 . 228 . 39 ARG HD2 H 3.08 0.005 . 229 . 39 ARG HD3 H 3.08 0.005 . 230 . 40 PHE H H 8.86 0.005 . 231 . 40 PHE HA H 4.78 0.005 . 232 . 40 PHE HB2 H 3.33 0.005 . 233 . 40 PHE HB3 H 2.30 0.005 . 234 . 40 PHE HD1 H 6.31 0.005 . 235 . 40 PHE HD2 H 6.31 0.005 . 236 . 40 PHE HE1 H 6.39 0.005 . 237 . 40 PHE HE2 H 6.39 0.005 . 238 . 40 PHE HZ H 6.59 0.005 . 239 . 41 ASP H H 8.86 0.005 . 240 . 41 ASP HA H 4.63 0.005 . 241 . 41 ASP HB2 H 2.77 0.005 . 242 . 41 ASP HB3 H 2.63 0.005 . 243 . 42 ARG H H 8.07 0.005 . 244 . 42 ARG HA H 4.50 0.005 . 245 . 42 ARG HB2 H 1.97 0.005 . 246 . 42 ARG HB3 H 1.92 0.005 . 247 . 42 ARG HG2 H 1.79 0.005 . 248 . 42 ARG HG3 H 1.56 0.005 . 249 . 42 ARG HD2 H 3.28 0.005 . 250 . 42 ARG HD3 H 3.16 0.005 . 251 . 43 VAL H H 8.50 0.005 . 252 . 43 VAL HA H 4.02 0.005 . 253 . 43 VAL HB H 1.74 0.005 . 254 . 43 VAL HG1 H 0.89 0.005 . 255 . 43 VAL HG2 H 0.28 0.005 . 256 . 44 ASN H H 8.75 0.005 . 257 . 44 ASN HA H 4.20 0.005 . 258 . 44 ASN HB2 H 2.65 0.005 . 259 . 44 ASN HB3 H 1.74 0.005 . 260 . 44 ASN HD21 H 5.78 0.005 . 261 . 44 ASN HD22 H 6.52 0.005 . 262 . 45 TYR H H 8.64 0.005 . 263 . 45 TYR HA H 4.51 0.005 . 264 . 45 TYR HB2 H 3.18 0.005 . 265 . 45 TYR HB3 H 2.67 0.005 . 266 . 45 TYR HD1 H 7.08 0.005 . 267 . 45 TYR HD2 H 7.08 0.005 . 268 . 45 TYR HE1 H 6.76 0.005 . 269 . 45 TYR HE2 H 6.76 0.005 . 270 . 46 ASN H H 8.27 0.005 . 271 . 46 ASN HA H 4.47 0.005 . 272 . 46 ASN HB2 H 2.68 0.005 . 273 . 46 ASN HB3 H 2.63 0.005 . 274 . 46 ASN HD21 H 6.92 0.005 . 275 . 46 ASN HD22 H 7.56 0.005 . 276 . 47 GLY H H 8.22 0.005 . 277 . 47 GLY HA2 H 3.83 0.005 . 278 . 47 GLY HA3 H 3.76 0.005 . 279 . 48 PHE H H 8.14 0.005 . 280 . 48 PHE HA H 4.65 0.005 . 281 . 48 PHE HB2 H 3.12 0.005 . 282 . 48 PHE HB3 H 2.97 0.005 . 283 . 48 PHE HD1 H 7.23 0.005 . 284 . 48 PHE HD2 H 7.23 0.005 . 285 . 48 PHE HE1 H 7.30 0.005 . 286 . 48 PHE HE2 H 7.30 0.005 . 287 . 48 PHE HZ H 7.34 0.005 . 288 . 49 SER H H 8.43 0.005 . 289 . 49 SER HA H 4.35 0.005 . 290 . 49 SER HB2 H 3.81 0.005 . 291 . 49 SER HB3 H 3.75 0.005 . 292 . 50 GLY H H 8.13 0.005 . 293 . 50 GLY HA2 H 3.95 0.005 . 294 . 50 GLY HA3 H 3.85 0.005 . 295 . 51 SER H H 8.14 0.005 . 296 . 51 SER HA H 4.44 0.005 . 297 . 51 SER HB2 H 3.90 0.005 . 298 . 51 SER HB3 H 3.80 0.005 . 299 . 52 ALA H H 8.47 0.005 . 300 . 52 ALA HA H 4.40 0.005 . 301 . 52 ALA HB H 1.41 0.005 . 302 . 53 SER H H 8.19 0.005 . 303 . 53 SER HA H 4.50 0.005 . 304 . 53 SER HB2 H 3.83 0.005 . 305 . 53 SER HB3 H 3.76 0.005 . 306 . 54 GLY H H 8.15 0.005 . 307 . 54 GLY HA2 H 3.72 0.005 . 308 . 54 GLY HA3 H 3.50 0.005 . 309 . 55 VAL H H 8.01 0.005 . 310 . 55 VAL HA H 4.48 0.005 . 311 . 55 VAL HB H 2.16 0.005 . 312 . 55 VAL HG1 H 1.12 0.005 . 313 . 55 VAL HG2 H 1.03 0.005 . 314 . 56 ASN H H 8.81 0.005 . 315 . 56 ASN HA H 5.22 0.005 . 316 . 56 ASN HB2 H 3.48 0.005 . 317 . 56 ASN HB3 H 2.59 0.005 . 318 . 56 ASN HD21 H 6.73 0.005 . 319 . 56 ASN HD22 H 7.63 0.005 . 320 . 57 THR H H 7.48 0.005 . 321 . 57 THR HA H 5.54 0.005 . 322 . 57 THR HB H 3.92 0.005 . 323 . 57 THR HG2 H 1.02 0.005 . 324 . 58 ASN H H 8.70 0.005 . 325 . 58 ASN HA H 4.79 0.005 . 326 . 58 ASN HB2 H 2.72 0.005 . 327 . 58 ASN HB3 H 2.55 0.005 . 328 . 58 ASN HD21 H 7.16 0.005 . 329 . 58 ASN HD22 H 7.63 0.005 . 330 . 59 ASN H H 8.07 0.005 . 331 . 59 ASN HA H 5.52 0.005 . 332 . 59 ASN HB2 H 2.82 0.005 . 333 . 59 ASN HB3 H 2.48 0.005 . 334 . 59 ASN HD21 H 6.77 0.005 . 335 . 59 ASN HD22 H 7.67 0.005 . 336 . 60 PHE H H 9.65 0.005 . 337 . 60 PHE HA H 4.60 0.005 . 338 . 60 PHE HB2 H 3.45 0.005 . 339 . 60 PHE HB3 H 2.44 0.005 . 340 . 60 PHE HD1 H 7.14 0.005 . 341 . 60 PHE HD2 H 7.14 0.005 . 342 . 60 PHE HE1 H 7.19 0.005 . 343 . 60 PHE HE2 H 7.19 0.005 . 344 . 60 PHE HZ H 7.34 0.005 . 345 . 61 ALA H H 9.82 0.005 . 346 . 61 ALA HA H 5.03 0.005 . 347 . 61 ALA HB H 1.69 0.005 . 348 . 62 GLU H H 9.55 0.005 . 349 . 62 GLU HA H 3.76 0.005 . 350 . 62 GLU HB2 H 2.17 0.005 . 351 . 62 GLU HB3 H 2.04 0.005 . 352 . 62 GLU HG2 H 2.23 0.005 . 353 . 62 GLU HG3 H 2.23 0.005 . 354 . 63 ASN H H 8.37 0.005 . 355 . 63 ASN HA H 4.65 0.005 . 356 . 63 ASN HB2 H 3.10 0.005 . 357 . 63 ASN HB3 H 2.81 0.005 . 358 . 63 ASN HD21 H 6.80 0.005 . 359 . 63 ASN HD22 H 7.62 0.005 . 360 . 64 GLU H H 7.95 0.005 . 361 . 64 GLU HA H 4.50 0.005 . 362 . 64 GLU HB2 H 2.50 0.005 . 363 . 64 GLU HB3 H 2.26 0.005 . 364 . 64 GLU HG2 H 2.60 0.005 . 365 . 64 GLU HG3 H 2.70 0.005 . 366 . 65 LEU H H 7.52 0.005 . 367 . 65 LEU HA H 5.07 0.005 . 368 . 65 LEU HB2 H 1.88 0.005 . 369 . 65 LEU HB3 H 0.84 0.005 . 370 . 65 LEU HG H 1.77 0.005 . 371 . 65 LEU HD1 H 0.56 0.005 . 372 . 65 LEU HD2 H 0.32 0.005 . 373 . 66 GLU H H 8.71 0.005 . 374 . 66 GLU HA H 4.68 0.005 . 375 . 66 GLU HB2 H 1.92 0.005 . 376 . 66 GLU HB3 H 1.72 0.005 . 377 . 66 GLU HG2 H 2.14 0.005 . 378 . 66 GLU HG3 H 2.14 0.005 . 379 . 67 LEU H H 9.13 0.005 . 380 . 67 LEU HA H 4.22 0.005 . 381 . 67 LEU HB2 H 1.78 0.005 . 382 . 67 LEU HB3 H 1.68 0.005 . 383 . 67 LEU HG H 1.30 0.005 . 384 . 67 LEU HD1 H 0.83 0.005 . 385 . 67 LEU HD2 H 0.80 0.005 . 386 . 68 VAL H H 9.07 0.005 . 387 . 68 VAL HA H 4.11 0.005 . 388 . 68 VAL HB H 1.68 0.005 . 389 . 68 VAL HG1 H 0.80 0.005 . 390 . 68 VAL HG2 H 0.80 0.005 . 391 . 69 GLN H H 7.71 0.005 . 392 . 69 GLN HA H 4.36 0.005 . 393 . 69 GLN HB2 H 1.82 0.005 . 394 . 69 GLN HB3 H 1.25 0.005 . 395 . 69 GLN HG2 H 2.00 0.005 . 396 . 69 GLN HG3 H 2.25 0.005 . 397 . 69 GLN HE21 H 6.91 0.005 . 398 . 69 GLN HE22 H 7.69 0.005 . 399 . 70 ALA H H 9.04 0.005 . 400 . 70 ALA HA H 4.39 0.005 . 401 . 70 ALA HB H 1.36 0.005 . 402 . 71 ALA H H 9.28 0.005 . 403 . 71 ALA HA H 4.11 0.005 . 404 . 71 ALA HB H 1.31 0.005 . 405 . 72 ALA H H 8.38 0.005 . 406 . 72 ALA HA H 4.23 0.005 . 407 . 72 ALA HB H 1.31 0.005 . 408 . 73 LYS H H 8.00 0.005 . 409 . 73 LYS HA H 4.10 0.005 . 410 . 73 LYS HB2 H 1.78 0.005 . 411 . 73 LYS HB3 H 1.67 0.005 . 412 . 73 LYS HG2 H 1.32 0.005 . 413 . 73 LYS HG3 H 1.30 0.005 . 414 . 73 LYS HD2 H 1.60 0.005 . 415 . 73 LYS HD3 H 1.60 0.005 . 416 . 73 LYS HE2 H 2.95 0.005 . 417 . 73 LYS HE3 H 2.95 0.005 . stop_ save_