data_6350 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Chemical Shift Assignments for the LH1 Beta Polypeptide of Rhodospirillum rubrum ; _BMRB_accession_number 6350 _BMRB_flat_file_name bmr6350.str _Entry_type original _Submission_date 2004-10-12 _Accession_date 2004-10-13 _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 Wang Zheng-Yu . . 2 Gokan Kazutaka . . 3 Kobayashi Masayuki . . 4 Nozawa Tsunenori . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 266 "13C chemical shifts" 154 "15N chemical shifts" 51 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-03-17 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6349 'LH1 alpha Polypeptide' stop_ _Original_release_date 2005-03-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structures of the Core Light-harvesting alpha and beta Polypeptides from Rhodospirillum rubrum: Implications for the Pigment-Protein and Protein-Protein Interactions ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15740753 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Zheng-Yu . . 2 Gokan Kazutaka . . 3 Kobayashi Masayuki . . 4 Nozawa Tsunenori . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 347 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 465 _Page_last 477 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_system_LH1_Beta _Saveframe_category molecular_system _Mol_system_name 'LH1 Beta polypeptide' _Abbreviation_common 'LH1 Beta' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'LH1 Beta' $LH1_Beta 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_LH1_Beta _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Beta subunit of LH1 complex' _Abbreviation_common 'LH1 Beta' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 55 _Mol_residue_sequence ; AEVKQESLSGITEGEAKEFH KIFTSSILVFFGVAAFAHLL VWIWRPWVPGPNGYS ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLU 3 VAL 4 LYS 5 GLN 6 GLU 7 SER 8 LEU 9 SER 10 GLY 11 ILE 12 THR 13 GLU 14 GLY 15 GLU 16 ALA 17 LYS 18 GLU 19 PHE 20 HIS 21 LYS 22 ILE 23 PHE 24 THR 25 SER 26 SER 27 ILE 28 LEU 29 VAL 30 PHE 31 PHE 32 GLY 33 VAL 34 ALA 35 ALA 36 PHE 37 ALA 38 HIS 39 LEU 40 LEU 41 VAL 42 TRP 43 ILE 44 TRP 45 ARG 46 PRO 47 TRP 48 VAL 49 PRO 50 GLY 51 PRO 52 ASN 53 GLY 54 TYR 55 SER 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 1WRG "Light-Harvesting Complex 1 Beta Subunit From Wild-Type Rhodospirillum Rubrum" 100.00 55 100.00 100.00 1.94e-30 GB AAA26461 "B880 holochrome beta precursor [Rhodospirillum rubrum]" 100.00 69 100.00 100.00 3.98e-31 GB ABC23772 "Antenna complex, alpha/beta subunit [Rhodospirillum rubrum ATCC 11170]" 100.00 69 100.00 100.00 3.98e-31 GB AEO49512 "antenna complex, alpha/subunit beta [Rhodospirillum rubrum F11]" 100.00 69 100.00 100.00 3.98e-31 REF WP_011390725 "antenna complex subunit alpha/beta [Rhodospirillum rubrum]" 100.00 69 100.00 100.00 3.98e-31 REF YP_006049309 "antenna complex subunit alpha/beta [Rhodospirillum rubrum F11]" 100.00 69 100.00 100.00 3.98e-31 REF YP_428059 "antenna complex subunit alpha/beta [Rhodospirillum rubrum ATCC 11170]" 100.00 69 100.00 100.00 3.98e-31 SP P0C190 "RecName: Full=Light-harvesting protein B-870 beta chain; AltName: Full=Antenna pigment protein beta chain; AltName: Full=LH-1 [" 98.18 54 100.00 100.00 8.94e-30 SP Q2RQ23 "RecName: Full=Light-harvesting protein B-870 beta chain; AltName: Full=Antenna pigment protein beta chain; AltName: Full=LH-1; " 100.00 69 100.00 100.00 3.98e-31 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $LH1_Beta 'Rhodospirillum rubrum' 1085 Eubacteria . Rhodospirillum rubrum 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 $LH1_Beta 'purified from the natural source' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_LH1b _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $LH1_Beta . mM 0.5 1.5 '[U-95% 13C; U-95% 15N]' 'chloroform-d:methanol-d3 [1:1 (v/v)]' 100 % . . . stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 400 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_NOESY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _Sample_label . save_ save_1H-15N_TOCSY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY-HSQC' _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_CBCANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HBHANH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHANH _Sample_label . save_ save_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond _Saveframe_category sample_conditions _Details 'The sample was dissolved in 1:1 (v/v) chloroform-d:methanol-d3.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* . . na temperature 298 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TMS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 TMS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 TMS 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_ _Experiment_label '1H-15N NOESY-HSQC' '1H-15N TOCSY-HSQC' HNCA HN(CO)CA CBCANH CBCA(CO)NH HBHANH HBHA(CO)NH stop_ loop_ _Sample_label $sample_LH1b stop_ _Sample_conditions_label $Ex-cond _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'LH1 Beta' _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 3.94 0.01 1 2 . 1 ALA HB H 1.56 0.01 1 3 . 1 ALA CA C 57.54 0.01 1 4 . 1 ALA CB C 14.83 0.01 1 5 . 2 GLU H H 8.85 0.01 1 6 . 2 GLU HA H 4.41 0.01 1 7 . 2 GLU HB2 H 2.06 0.01 1 8 . 2 GLU HB3 H 2.22 0.01 2 9 . 2 GLU HG2 H 2.45 0.01 1 10 . 2 GLU HG3 H 2.45 0.01 1 11 . 2 GLU C C 170.15 0.01 1 12 . 2 GLU CA C 54.75 0.01 1 13 . 2 GLU CB C 26.34 0.01 1 14 . 2 GLU N N 121.25 0.01 1 15 . 3 VAL H H 8.38 0.01 1 16 . 3 VAL HA H 3.83 0.01 1 17 . 3 VAL HB H 2.14 0.01 1 18 . 3 VAL HG1 H 0.97 0.01 1 19 . 3 VAL HG2 H 0.97 0.01 1 20 . 3 VAL C C 174.18 0.01 1 21 . 3 VAL CA C 63.2 0.01 1 22 . 3 VAL CB C 25.76 0.01 1 23 . 3 VAL N N 119.54 0.01 1 24 . 4 LYS H H 8.33 0.01 1 25 . 4 LYS HA H 4.02 0.01 1 26 . 4 LYS HB2 H 1.84 0.01 1 27 . 4 LYS HB3 H 1.84 0.01 1 28 . 4 LYS HG2 H 1.52 0.01 1 29 . 4 LYS HG3 H 1.52 0.01 1 30 . 4 LYS C C 175.67 0.01 1 31 . 4 LYS CA C 57.02 0.01 1 32 . 4 LYS CB C 29.6 0.01 1 33 . 4 LYS N N 120.44 0.01 1 34 . 5 GLN H H 8.14 0.01 1 35 . 5 GLN HA H 3.98 0.01 1 36 . 5 GLN HB2 H 2.14 0.01 1 37 . 5 GLN HB3 H 2.14 0.01 1 38 . 5 GLN HG2 H 2.38 0.01 1 39 . 5 GLN HG3 H 2.38 0.01 1 40 . 5 GLN C C 175.5 0.01 1 41 . 5 GLN CA C 57.13 0.01 1 42 . 5 GLN CB C 26.33 0.01 1 43 . 5 GLN N N 117.53 0.01 1 44 . 6 GLU H H 8.29 0.01 1 45 . 6 GLU HA H 4.06 0.01 1 46 . 6 GLU HB2 H 2.18 0.01 1 47 . 6 GLU HB3 H 2.18 0.01 1 48 . 6 GLU HG2 H 2.41 0.01 1 49 . 6 GLU HG3 H 2.54 0.01 1 50 . 6 GLU C C 177.85 0.01 1 51 . 6 GLU CA C 56.74 0.01 1 52 . 6 GLU CB C 25.79 0.01 1 53 . 6 GLU N N 118.21 0.01 1 54 . 7 SER H H 8.16 0.01 1 55 . 7 SER HA H 4.26 0.01 1 56 . 7 SER HB2 H 3.8 0.01 1 57 . 7 SER HB3 H 4.06 0.01 1 58 . 7 SER HG H 4.53 0.01 1 59 . 7 SER C C 175.67 0.01 1 60 . 7 SER CA C 59.5 0.01 1 61 . 7 SER CB C 61.32 0.01 1 62 . 7 SER N N 114.52 0.01 1 63 . 8 LEU H H 8.01 0.01 1 64 . 8 LEU HA H 4.14 0.01 1 65 . 8 LEU HB2 H 1.67 0.01 1 66 . 8 LEU HB3 H 1.67 0.01 1 67 . 8 LEU HG H 1.79 0.01 1 68 . 8 LEU HD1 H 0.89 0.01 1 69 . 8 LEU HD2 H 0.89 0.01 1 70 . 8 LEU C C 173.45 0.01 1 71 . 8 LEU CA C 55.69 0.01 1 72 . 8 LEU CB C 39.47 0.01 1 73 . 8 LEU N N 120.7 0.01 1 74 . 9 SER H H 8.24 0.01 1 75 . 9 SER HA H 4.12 0.01 1 76 . 9 SER HB2 H 3.9 0.01 1 77 . 9 SER HB3 H 4.06 0.01 1 78 . 9 SER HG H 4.53 0.01 1 79 . 9 SER C C 177.73 0.01 1 80 . 9 SER CA C 60.47 0.01 1 81 . 9 SER CB C 61.34 0.01 1 82 . 9 SER N N 115.93 0.01 1 83 . 10 GLY H H 8.28 0.01 1 84 . 10 GLY HA2 H 3.86 0.01 1 85 . 10 GLY HA3 H 3.86 0.01 1 86 . 10 GLY C C 173.45 0.01 1 87 . 10 GLY CA C 45.35 0.01 1 88 . 10 GLY N N 108.78 0.01 1 89 . 11 ILE H H 8.23 0.01 1 90 . 11 ILE HA H 3.86 0.01 1 91 . 11 ILE HB H 1.95 0.01 1 92 . 11 ILE HG12 H 1.2 0.01 1 93 . 11 ILE HG13 H 1.2 0.01 1 94 . 11 ILE HG2 H 0.93 0.01 1 95 . 11 ILE HD1 H 0.89 0.01 1 96 . 11 ILE C C 173.53 0.01 1 97 . 11 ILE CA C 62.75 0.01 1 98 . 11 ILE CB C 35.63 0.01 1 99 . 11 ILE N N 121.14 0.01 1 100 . 12 THR H H 8 0.01 1 101 . 12 THR HA H 3.9 0.01 1 102 . 12 THR HB H 4.29 0.01 1 103 . 12 THR HG1 H 4.53 0.01 1 104 . 12 THR HG2 H 1.28 0.01 1 105 . 12 THR C C 175.5 0.01 1 106 . 12 THR CA C 65.05 0.01 1 107 . 12 THR CB C 66.8 0.01 1 108 . 12 THR N N 115.15 0.01 1 109 . 13 GLU H H 8.39 0.01 1 110 . 13 GLU HA H 4.06 0.01 1 111 . 13 GLU HB2 H 2.14 0.01 1 112 . 13 GLU HB3 H 2.14 0.01 1 113 . 13 GLU HG2 H 2.3 0.01 1 114 . 13 GLU HG3 H 2.3 0.01 1 115 . 13 GLU C C 174.18 0.01 1 116 . 13 GLU CA C 57.04 0.01 1 117 . 13 GLU CB C 25.76 0.01 1 118 . 13 GLU N N 119.82 0.01 1 119 . 14 GLY H H 8.39 0.01 1 120 . 14 GLY HA2 H 3.86 0.01 1 121 . 14 GLY HA3 H 3.86 0.01 1 122 . 14 GLY C C 176.13 0.01 1 123 . 14 GLY CA C 45.55 0.01 1 124 . 14 GLY N N 106.54 0.01 1 125 . 15 GLU H H 8.56 0.01 1 126 . 15 GLU HA H 4.04 0.01 1 127 . 15 GLU HB2 H 2.34 0.01 1 128 . 15 GLU HB3 H 2.38 0.01 1 129 . 15 GLU HG2 H 2.69 0.01 1 130 . 15 GLU HG3 H 2.69 0.01 1 131 . 15 GLU C C 173.15 0.01 1 132 . 15 GLU CA C 57.37 0.01 1 133 . 15 GLU CB C 25.78 0.01 1 134 . 15 GLU N N 120.77 0.01 1 135 . 16 ALA H H 8.42 0.01 1 136 . 16 ALA HA H 4.1 0.01 1 137 . 16 ALA HB H 1.56 0.01 1 138 . 16 ALA C C 175.75 0.01 1 139 . 16 ALA CA C 53.58 0.01 1 140 . 16 ALA CB C 15.93 0.01 1 141 . 16 ALA N N 121.18 0.01 1 142 . 17 LYS H H 8.32 0.01 1 143 . 17 LYS HA H 4.02 0.01 1 144 . 17 LYS HB2 H 1.95 0.01 1 145 . 17 LYS HB3 H 1.95 0.01 1 146 . 17 LYS HG2 H 1.71 0.01 1 147 . 17 LYS HG3 H 1.71 0.01 1 148 . 17 LYS C C 175.94 0.01 1 149 . 17 LYS CA C 57.84 0.01 1 150 . 17 LYS CB C 30.15 0.01 1 151 . 17 LYS N N 117.79 0.01 1 152 . 18 GLU H H 8.35 0.01 1 153 . 18 GLU HA H 4.14 0.01 1 154 . 18 GLU HB2 H 2.14 0.01 1 155 . 18 GLU HB3 H 2.3 0.01 1 156 . 18 GLU HG2 H 2.5 0.01 1 157 . 18 GLU HG3 H 2.5 0.01 1 158 . 18 GLU C C 175.83 0.01 1 159 . 18 GLU CA C 57.03 0.01 1 160 . 18 GLU CB C 25.78 0.01 1 161 . 18 GLU N N 118.79 0.01 1 162 . 19 PHE H H 8.92 0.01 1 163 . 19 PHE HA H 4.21 0.01 1 164 . 19 PHE HB2 H 3.24 0.01 1 165 . 19 PHE HB3 H 3.27 0.01 1 166 . 19 PHE HD1 H 7.19 0.01 1 167 . 19 PHE HD2 H 7.19 0.01 1 168 . 19 PHE C C 176.11 0.01 1 169 . 19 PHE CA C 59.34 0.01 1 170 . 19 PHE CB C 36.17 0.01 1 171 . 19 PHE N N 118.78 0.01 1 172 . 20 HIS H H 8.64 0.01 1 173 . 20 HIS HA H 4.26 0.01 1 174 . 20 HIS HB2 H 3.51 0.01 1 175 . 20 HIS HB3 H 3.55 0.01 1 176 . 20 HIS C C 175.23 0.01 1 177 . 20 HIS CA C 57.59 0.01 1 178 . 20 HIS CB C 25.78 0.01 1 179 . 20 HIS N N 116.52 0.01 1 180 . 21 LYS H H 8.52 0.01 1 181 . 21 LYS HA H 4.01 0.01 1 182 . 21 LYS HB2 H 2.02 0.01 1 183 . 21 LYS HB3 H 2.06 0.01 1 184 . 21 LYS HG2 H 1.68 0.01 1 185 . 21 LYS HG3 H 1.71 0.01 1 186 . 21 LYS C C 175.48 0.01 1 187 . 21 LYS CA C 57.11 0.01 1 188 . 21 LYS CB C 30.15 0.01 1 189 . 21 LYS N N 121.28 0.01 1 190 . 22 ILE H H 8.47 0.01 1 191 . 22 ILE HA H 3.63 0.01 1 192 . 22 ILE HB H 1.86 0.01 1 193 . 22 ILE HG12 H 1.09 0.01 1 194 . 22 ILE HG13 H 1.09 0.01 1 195 . 22 ILE HG2 H 0.89 0.01 1 196 . 22 ILE HD1 H 0.74 0.01 1 197 . 22 ILE C C 176.56 0.01 1 198 . 22 ILE CA C 63.11 0.01 1 199 . 22 ILE CB C 35.61 0.01 1 200 . 22 ILE N N 121.33 0.01 1 201 . 23 PHE H H 8.74 0.01 1 202 . 23 PHE HA H 4.1 0.01 1 203 . 23 PHE HB2 H 2.85 0.01 1 204 . 23 PHE HB3 H 2.97 0.01 1 205 . 23 PHE HD1 H 7.11 0.01 1 206 . 23 PHE HD2 H 7.2 0.01 1 207 . 23 PHE C C 175.91 0.01 1 208 . 23 PHE CA C 59.53 0.01 1 209 . 23 PHE CB C 37.26 0.01 1 210 . 23 PHE N N 121.53 0.01 1 211 . 24 THR H H 8.31 0.01 1 212 . 24 THR HA H 3.67 0.01 1 213 . 24 THR HB H 4.13 0.01 1 214 . 24 THR HG1 H 4.53 0.01 1 215 . 24 THR HG2 H 1.2 0.01 1 216 . 24 THR C C 175.08 0.01 1 217 . 24 THR CA C 65.29 0.01 1 218 . 24 THR CB C 66.8 0.01 1 219 . 24 THR N N 113.19 0.01 1 220 . 25 SER H H 8.16 0.01 1 221 . 25 SER HA H 4.1 0.01 1 222 . 25 SER HB2 H 3.9 0.01 1 223 . 25 SER HB3 H 3.9 0.01 1 224 . 25 SER HG H 4.53 0.01 1 225 . 25 SER C C 173.96 0.01 1 226 . 25 SER CA C 61.06 0.01 1 227 . 25 SER CB C 61.33 0.01 1 228 . 25 SER N N 115.46 0.01 1 229 . 26 SER H H 8.01 0.01 1 230 . 26 SER HA H 4.1 0.01 1 231 . 26 SER HB2 H 3.82 0.01 1 232 . 26 SER HB3 H 3.82 0.01 1 233 . 26 SER HG H 4.53 0.01 1 234 . 26 SER C C 172.91 0.01 1 235 . 26 SER CA C 60.84 0.01 1 236 . 26 SER CB C 60.76 0.01 1 237 . 26 SER N N 116.44 0.01 1 238 . 27 ILE H H 7.59 0.01 1 239 . 27 ILE HA H 3.71 0.01 1 240 . 27 ILE HB H 1.91 0.01 1 241 . 27 ILE HG12 H 1.36 0.01 1 242 . 27 ILE HG13 H 1.36 0.01 1 243 . 27 ILE HG2 H 1.4 0.01 1 244 . 27 ILE HD1 H 0.58 0.01 1 245 . 27 ILE C C 173 0.01 1 246 . 27 ILE CA C 62.37 0.01 1 247 . 27 ILE CB C 35.09 0.01 1 248 . 27 ILE N N 121.41 0.01 1 249 . 28 LEU H H 7.73 0.01 1 250 . 28 LEU HA H 4.1 0.01 1 251 . 28 LEU HB2 H 1.59 0.01 1 252 . 28 LEU HB3 H 1.59 0.01 1 253 . 28 LEU HG H 1.99 0.01 1 254 . 28 LEU HD1 H 0.89 0.01 1 255 . 28 LEU HD2 H 0.89 0.01 1 256 . 28 LEU C C 175.08 0.01 1 257 . 28 LEU CA C 56.37 0.01 1 258 . 28 LEU CB C 39.45 0.01 1 259 . 28 LEU N N 118.87 0.01 1 260 . 29 VAL H H 8.14 0.01 1 261 . 29 VAL HA H 3.71 0.01 1 262 . 29 VAL HB H 2.14 0.01 1 263 . 29 VAL HG1 H 0.89 0.01 1 264 . 29 VAL HG2 H 1.09 0.01 1 265 . 29 VAL C C 177.46 0.01 1 266 . 29 VAL CA C 64.95 0.01 1 267 . 29 VAL CB C 29.08 0.01 1 268 . 29 VAL N N 118.44 0.01 1 269 . 30 PHE H H 8.2 0.01 1 270 . 30 PHE HA H 4.1 0.01 1 271 . 30 PHE HB2 H 3.2 0.01 1 272 . 30 PHE HB3 H 3.24 0.01 1 273 . 30 PHE HD1 H 6.99 0.01 1 274 . 30 PHE HD2 H 6.99 0.01 1 275 . 30 PHE C C 175.15 0.01 1 276 . 30 PHE CA C 59.6 0.01 1 277 . 30 PHE CB C 36.7 0.01 1 278 . 30 PHE N N 119.12 0.01 1 279 . 31 PHE H H 8.64 0.01 1 280 . 31 PHE HA H 4.12 0.01 1 281 . 31 PHE HB2 H 3.23 0.01 1 282 . 31 PHE HB3 H 3.23 0.01 1 283 . 31 PHE HD1 H 7.35 0.01 1 284 . 31 PHE HD2 H 7.35 0.01 1 285 . 31 PHE C C 175.23 0.01 1 286 . 31 PHE CA C 59.26 0.01 1 287 . 31 PHE CB C 36.72 0.01 1 288 . 31 PHE N N 116.93 0.01 1 289 . 32 GLY H H 8.51 0.01 1 290 . 32 GLY HA2 H 3.87 0.01 1 291 . 32 GLY HA3 H 3.87 0.01 1 292 . 32 GLY C C 175.67 0.01 1 293 . 32 GLY CA C 45.73 0.01 1 294 . 32 GLY N N 107.31 0.01 1 295 . 33 VAL H H 8.59 0.01 1 296 . 33 VAL HA H 3.71 0.01 1 297 . 33 VAL HB H 2.14 0.01 1 298 . 33 VAL HG1 H 0.97 0.01 1 299 . 33 VAL HG2 H 1.08 0.01 1 300 . 33 VAL C C 173.23 0.01 1 301 . 33 VAL CA C 64.84 0.01 1 302 . 33 VAL CB C 29.06 0.01 1 303 . 33 VAL N N 121.74 0.01 1 304 . 34 ALA H H 8.23 0.01 1 305 . 34 ALA HA H 3.98 0.01 1 306 . 34 ALA HB H 1.32 0.01 1 307 . 34 ALA C C 175.66 0.01 1 308 . 34 ALA CA C 53.06 0.01 1 309 . 34 ALA CB C 15.37 0.01 1 310 . 34 ALA N N 121.05 0.01 1 311 . 35 ALA H H 8.61 0.01 1 312 . 35 ALA HA H 4.02 0.01 1 313 . 35 ALA HB H 1.48 0.01 1 314 . 35 ALA C C 178.15 0.01 1 315 . 35 ALA CA C 53.52 0.01 1 316 . 35 ALA CB C 15.93 0.01 1 317 . 35 ALA N N 121.15 0.01 1 318 . 36 PHE H H 8.37 0.01 1 319 . 36 PHE HA H 4.25 0.01 1 320 . 36 PHE HB2 H 3.28 0.01 1 321 . 36 PHE HB3 H 3.28 0.01 1 322 . 36 PHE HD1 H 7.26 0.01 1 323 . 36 PHE HD2 H 7.26 0.01 1 324 . 36 PHE C C 174.08 0.01 1 325 . 36 PHE CA C 59.27 0.01 1 326 . 36 PHE CB C 36.71 0.01 1 327 . 36 PHE N N 119.1 0.01 1 328 . 37 ALA H H 8.78 0.01 1 329 . 37 ALA HA H 3.94 0.01 1 330 . 37 ALA HB H 1.52 0.01 1 331 . 37 ALA C C 174.9 0.01 1 332 . 37 ALA CA C 53.17 0.01 1 333 . 37 ALA CB C 15.93 0.01 1 334 . 37 ALA N N 119.72 0.01 1 335 . 38 HIS H H 7.99 0.01 1 336 . 38 HIS HA H 4.1 0.01 1 337 . 38 HIS HB2 H 3.17 0.01 1 338 . 38 HIS HB3 H 3.32 0.01 1 339 . 38 HIS C C 176.86 0.01 1 340 . 38 HIS CA C 57.07 0.01 1 341 . 38 HIS CB C 25.77 0.01 1 342 . 38 HIS N N 111.99 0.01 1 343 . 39 LEU H H 7.98 0.01 1 344 . 39 LEU HA H 4.09 0.01 1 345 . 39 LEU HB2 H 1.72 0.01 1 346 . 39 LEU HB3 H 1.72 0.01 1 347 . 39 LEU HG H 1.83 0.01 1 348 . 39 LEU HD1 H 0.93 0.01 1 349 . 39 LEU HD2 H 0.93 0.01 1 350 . 39 LEU C C 173.66 0.01 1 351 . 39 LEU CA C 56.08 0.01 1 352 . 39 LEU CB C 39.45 0.01 1 353 . 39 LEU N N 119.6 0.01 1 354 . 40 LEU H H 7.96 0.01 1 355 . 40 LEU HA H 4.1 0.01 1 356 . 40 LEU HB2 H 1.43 0.01 1 357 . 40 LEU HB3 H 1.43 0.01 1 358 . 40 LEU HG H 1.71 0.01 1 359 . 40 LEU HD1 H 0.74 0.01 1 360 . 40 LEU HD2 H 0.74 0.01 1 361 . 40 LEU C C 175.57 0.01 1 362 . 40 LEU CA C 55.82 0.01 1 363 . 40 LEU CB C 39.45 0.01 1 364 . 40 LEU N N 116.83 0.01 1 365 . 41 VAL H H 7.52 0.01 1 366 . 41 VAL HA H 3.74 0.01 1 367 . 41 VAL HB H 2.14 0.01 1 368 . 41 VAL HG1 H 0.89 0.01 1 369 . 41 VAL HG2 H 1.05 0.01 1 370 . 41 VAL C C 176.05 0.01 1 371 . 41 VAL CA C 63.69 0.01 1 372 . 41 VAL CB C 29.59 0.01 1 373 . 41 VAL N N 114.26 0.01 1 374 . 42 TRP H H 7.8 0.01 1 375 . 42 TRP HA H 4.3 0.01 1 376 . 42 TRP HB2 H 3.28 0.01 1 377 . 42 TRP HB3 H 3.34 0.01 1 378 . 42 TRP HD1 H 7.11 0.01 1 379 . 42 TRP C C 173.58 0.01 1 380 . 42 TRP CA C 57.63 0.01 1 381 . 42 TRP CB C 27.41 0.01 1 382 . 42 TRP N N 118.67 0.01 1 383 . 43 ILE H H 7.95 0.01 1 384 . 43 ILE HA H 3.9 0.01 1 385 . 43 ILE HB H 1.94 0.01 1 386 . 43 ILE HG12 H 1.63 0.01 1 387 . 43 ILE HG13 H 1.63 0.01 1 388 . 43 ILE HG2 H 1.28 0.01 1 389 . 43 ILE HD1 H 0.81 0.01 1 390 . 43 ILE C C 175.25 0.01 1 391 . 43 ILE CA C 61.22 0.01 1 392 . 43 ILE CB C 36.17 0.01 1 393 . 43 ILE N N 114.22 0.01 1 394 . 44 TRP H H 7.76 0.01 1 395 . 44 TRP HA H 4.61 0.01 1 396 . 44 TRP HB2 H 3.2 0.01 1 397 . 44 TRP HB3 H 3.43 0.01 1 398 . 44 TRP HD1 H 7.27 0.01 1 399 . 44 TRP C C 174.7 0.01 1 400 . 44 TRP CA C 56.09 0.01 1 401 . 44 TRP CB C 27.41 0.01 1 402 . 44 TRP N N 118.45 0.01 1 403 . 45 ARG H H 7.63 0.01 1 404 . 45 ARG HA H 4.23 0.01 1 405 . 45 ARG C C 173.68 0.01 1 406 . 45 ARG CA C 53.36 0.01 1 407 . 45 ARG N N 118.99 0.01 1 408 . 46 PRO CA C 61.78 0.01 1 409 . 46 PRO CB C 28.5 0.01 1 410 . 47 TRP H H 7.59 0.01 1 411 . 47 TRP HA H 4.61 0.01 1 412 . 47 TRP HB2 H 3.28 0.01 1 413 . 47 TRP HB3 H 3.4 0.01 1 414 . 47 TRP HD1 H 7.14 0.01 1 415 . 47 TRP C C 173.06 0.01 1 416 . 47 TRP CA C 54.8 0.01 1 417 . 47 TRP CB C 29.5 0.01 1 418 . 47 TRP N N 116.51 0.01 1 419 . 48 VAL H H 7.51 0.01 1 420 . 48 VAL HA H 4.45 0.01 1 421 . 48 VAL HB H 2.03 0.01 1 422 . 48 VAL HG1 H 0.89 0.01 1 423 . 48 VAL HG2 H 0.89 0.01 1 424 . 48 VAL C C 172.69 0.01 1 425 . 48 VAL CA C 57.07 0.01 1 426 . 48 VAL CB C 29.59 0.01 1 427 . 48 VAL N N 118.9 0.01 1 428 . 49 PRO HB2 H 2.01 0.01 1 429 . 49 PRO HB3 H 2.01 0.01 1 430 . 49 PRO CA C 60.61 0.01 1 431 . 49 PRO CB C 29.59 0.01 1 432 . 50 GLY H H 7.77 0.01 1 433 . 50 GLY HA2 H 3.97 0.01 1 434 . 50 GLY HA3 H 3.97 0.01 1 435 . 50 GLY C C 173.43 0.01 1 436 . 50 GLY CA C 42.27 0.01 1 437 . 50 GLY N N 105.58 0.01 1 438 . 51 PRO HB2 H 2.07 0.01 1 439 . 51 PRO HB3 H 2.28 0.01 1 440 . 51 PRO CA C 61.82 0.01 1 441 . 51 PRO CB C 29.09 0.01 1 442 . 52 ASN H H 8.12 0.01 1 443 . 52 ASN HA H 4.57 0.01 1 444 . 52 ASN HB2 H 2.73 0.01 1 445 . 52 ASN HB3 H 2.73 0.01 1 446 . 52 ASN C C 173.03 0.01 1 447 . 52 ASN CA C 51.07 0.01 1 448 . 52 ASN CB C 36.17 0.01 1 449 . 52 ASN N N 113.74 0.01 1 450 . 53 GLY H H 8.14 0.01 1 451 . 53 GLY HA2 H 3.67 0.01 1 452 . 53 GLY HA3 H 3.98 0.01 1 453 . 53 GLY C C 172.67 0.01 1 454 . 53 GLY CA C 43.64 0.01 1 455 . 53 GLY N N 105.93 0.01 1 456 . 54 TYR H H 7.9 0.01 1 457 . 54 TYR HA H 4.69 0.01 1 458 . 54 TYR HB2 H 2.85 0.01 1 459 . 54 TYR HB3 H 3.04 0.01 1 460 . 54 TYR CA C 55.71 0.01 1 461 . 54 TYR CB C 36.75 0.01 1 462 . 54 TYR C C 172.47 0.01 1 463 . 54 TYR N N 117.9 0.01 1 464 . 55 SER H H 7.87 0.01 1 465 . 55 SER HA H 3.94 0.01 1 466 . 55 SER HB2 H 4.52 0.01 1 467 . 55 SER HB3 H 4.52 0.01 1 468 . 55 SER HG H 4.64 0.01 1 469 . 55 SER CA C 55.09 0.01 1 470 . 55 SER CB C 62.41 0.01 1 471 . 55 SER N N 113.98 0.01 1 stop_ save_