data_4946 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structures of C-1027 Apoprotein and its Complex with the Aromatized Chromophore ; _BMRB_accession_number 4946 _BMRB_flat_file_name bmr4946.str _Entry_type original _Submission_date 2001-01-23 _Accession_date 2001-01-23 _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 Tanaka Toshiyuki . . 2 Fukuda-Ishisaka Sumiko . . 3 Hirama Masahiro . . 4 Otani Toshio . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 524 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-08-22 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 4947 'complexed with aromatized chromophore' stop_ _Original_release_date 2001-08-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structures of C-1027 Apoprotein and Its Complex with the Aromatized Chromophore ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21383385 _PubMed_ID 11491295 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tanaka Toshiyuki . . 2 Fukuda-Ishisaka Sumiko . . 3 Hirama Masahiro . . 4 Otani Toshio . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 309 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 267 _Page_last 283 _Year 2001 _Details . save_ ################################## # Molecular system description # ################################## save_system_C-1027 _Saveframe_category molecular_system _Mol_system_name 'C-1027 apoprotein' _Abbreviation_common C-1027 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C-1027 apoprotein' $C-1027_apoprotein stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_C-1027_apoprotein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'C-1027 apoprotein' _Abbreviation_common 'C-1027 apoprotein' _Molecular_mass 10502 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 110 _Mol_residue_sequence ; APAFSVSPASGLSDGQSVSV SVSGAAAGETYYIAQCAPVG GQDACNPATATSFTTDASGA ASFSFVVRKSYTGSTPEGTP VGSVDCATAACNLGAGNSGL DLGHVALTFG ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 PRO 3 ALA 4 PHE 5 SER 6 VAL 7 SER 8 PRO 9 ALA 10 SER 11 GLY 12 LEU 13 SER 14 ASP 15 GLY 16 GLN 17 SER 18 VAL 19 SER 20 VAL 21 SER 22 VAL 23 SER 24 GLY 25 ALA 26 ALA 27 ALA 28 GLY 29 GLU 30 THR 31 TYR 32 TYR 33 ILE 34 ALA 35 GLN 36 CYS 37 ALA 38 PRO 39 VAL 40 GLY 41 GLY 42 GLN 43 ASP 44 ALA 45 CYS 46 ASN 47 PRO 48 ALA 49 THR 50 ALA 51 THR 52 SER 53 PHE 54 THR 55 THR 56 ASP 57 ALA 58 SER 59 GLY 60 ALA 61 ALA 62 SER 63 PHE 64 SER 65 PHE 66 VAL 67 VAL 68 ARG 69 LYS 70 SER 71 TYR 72 THR 73 GLY 74 SER 75 THR 76 PRO 77 GLU 78 GLY 79 THR 80 PRO 81 VAL 82 GLY 83 SER 84 VAL 85 ASP 86 CYS 87 ALA 88 THR 89 ALA 90 ALA 91 CYS 92 ASN 93 LEU 94 GLY 95 ALA 96 GLY 97 ASN 98 SER 99 GLY 100 LEU 101 ASP 102 LEU 103 GLY 104 HIS 105 VAL 106 ALA 107 LEU 108 THR 109 PHE 110 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 4947 C-1027_apoprotein 100.00 110 100.00 100.00 3.17e-68 PDB 1HZK "Solution Structures Of C-1027 Apoprotein And Its Complex With The Aromatized Chromophore" 100.00 110 100.00 100.00 3.17e-68 PDB 1HZL "Solution Structures Of C-1027 Apoprotein And Its Complex With The Aromatized Chromophore" 100.00 110 100.00 100.00 3.17e-68 PDB 1J48 "Crystal Structure Of Apo-C1027" 100.00 110 100.00 100.00 3.17e-68 DBJ BAA01609 "C-1027 apoprotein precursor [Streptomyces globisporus]" 100.00 143 100.00 100.00 5.40e-69 DBJ BAA02014 "actinoxanthin preapoprotein [Streptomyces globisporus]" 100.00 143 98.18 98.18 2.85e-67 GB AAL06658 "C-1027 apoprotein [Streptomyces globisporus]" 100.00 143 100.00 100.00 5.40e-69 GB AEC48369 "putative C-1027 apoprotein [Streptomyces pluricolorescens]" 100.00 143 98.18 98.18 2.85e-67 PRF 1901206A "antitumor antibiotic apoprotein C1027" 100.00 143 100.00 100.00 5.40e-69 REF WP_029181878 "hypothetical protein [Streptomyces globisporus]" 100.00 143 100.00 100.00 5.40e-69 REF WP_032794840 "hypothetical protein [Streptomyces mediolani]" 100.00 143 98.18 98.18 2.85e-67 SP P01551 "RecName: Full=Actinoxanthin; Short=AXN; Flags: Precursor [Streptomyces globisporus]" 100.00 143 98.18 98.18 2.85e-67 SP Q06110 "RecName: Full=Antitumor antibiotic C-1027 apoprotein; AltName: Full=C-1027-AG; Flags: Precursor [Streptomyces globisporus]" 100.00 143 100.00 100.00 5.40e-69 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 $C-1027_apoprotein 'Streptomyces globisporus' 1908 Eubacteria . Streptomyces globisporus C-1027 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 $C-1027_apoprotein 'purified from the natural source' . . . . . 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 $C-1027_apoprotein . mM 6.6 7.6 . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AM _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name COSY _Sample_label . save_ save_HOHAHA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HOHAHA _Sample_label . save_ save_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HOHAHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 0.1 n/a temperature 303 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details ; Chemical shifts are expressed relative to DSS and measured with respect to the water resonance that has a chemical shift of 4.71ppm at 303K and pH5.0. ; 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 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 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 COSY HOHAHA NOESY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'C-1027 apoprotein' _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 4.43 0.01 1 2 . 1 ALA HB H 1.57 0.01 1 3 . 2 PRO HA H 4.78 0.01 1 4 . 2 PRO HB2 H 1.87 0.01 1 5 . 2 PRO HB3 H 1.98 0.01 1 6 . 2 PRO HG2 H 2.03 0.01 2 7 . 2 PRO HG3 H 2.14 0.01 2 8 . 2 PRO HD2 H 3.67 0.01 2 9 . 2 PRO HD3 H 3.79 0.01 2 10 . 3 ALA H H 9.04 0.01 1 11 . 3 ALA HA H 4.74 0.01 1 12 . 3 ALA HB H 1.32 0.01 1 13 . 4 PHE H H 8.25 0.01 1 14 . 4 PHE HA H 5.35 0.01 1 15 . 4 PHE HB2 H 2.84 0.01 1 16 . 4 PHE HB3 H 2.84 0.01 1 17 . 4 PHE HD1 H 6.85 0.01 1 18 . 4 PHE HD2 H 6.85 0.01 1 19 . 4 PHE HE1 H 6.85 0.01 1 20 . 4 PHE HE2 H 6.85 0.01 1 21 . 4 PHE HZ H 6.45 0.01 1 22 . 5 SER H H 8.69 0.01 1 23 . 5 SER HA H 4.49 0.01 1 24 . 5 SER HB2 H 3.56 0.01 1 25 . 5 SER HB3 H 3.56 0.01 1 26 . 6 VAL H H 7.86 0.01 1 27 . 6 VAL HA H 4.46 0.01 1 28 . 6 VAL HB H 1.57 0.01 1 29 . 6 VAL HG1 H 0.40 0.01 1 30 . 6 VAL HG2 H 0.60 0.01 1 31 . 7 SER H H 8.66 0.01 1 32 . 7 SER HA H 4.82 0.01 1 33 . 7 SER HB2 H 3.55 0.01 2 34 . 7 SER HB3 H 3.61 0.01 2 35 . 8 PRO HA H 4.87 0.01 1 36 . 8 PRO HB2 H 2.23 0.01 2 37 . 8 PRO HB3 H 2.52 0.01 2 38 . 8 PRO HG2 H 1.79 0.01 2 39 . 8 PRO HG3 H 1.97 0.01 2 40 . 8 PRO HD2 H 3.58 0.01 2 41 . 8 PRO HD3 H 3.69 0.01 2 42 . 9 ALA H H 8.14 0.01 1 43 . 9 ALA HA H 4.54 0.01 1 44 . 9 ALA HB H 1.39 0.01 1 45 . 10 SER H H 7.41 0.01 1 46 . 10 SER HA H 5.40 0.01 1 47 . 10 SER HB2 H 3.73 0.01 1 48 . 10 SER HB3 H 3.73 0.01 1 49 . 11 GLY H H 7.89 0.01 1 50 . 11 GLY HA2 H 3.75 0.01 2 51 . 11 GLY HA3 H 3.79 0.01 2 52 . 12 LEU H H 7.80 0.01 1 53 . 12 LEU HA H 4.30 0.01 1 54 . 12 LEU HB2 H 0.50 0.01 1 55 . 12 LEU HB3 H 0.50 0.01 1 56 . 12 LEU HG H 0.96 0.01 1 57 . 12 LEU HD1 H 0.21 0.01 1 58 . 12 LEU HD2 H 0.38 0.01 1 59 . 13 SER H H 8.58 0.01 1 60 . 13 SER HA H 5.00 0.01 1 61 . 13 SER HB2 H 3.82 0.01 2 62 . 13 SER HB3 H 3.94 0.01 2 63 . 14 ASP H H 9.20 0.01 1 64 . 14 ASP HA H 4.42 0.01 1 65 . 14 ASP HB2 H 2.74 0.01 1 66 . 14 ASP HB3 H 2.74 0.01 1 67 . 15 GLY H H 8.92 0.01 1 68 . 15 GLY HA2 H 3.47 0.01 1 69 . 15 GLY HA3 H 4.22 0.01 1 70 . 16 GLN H H 7.68 0.01 1 71 . 16 GLN HA H 4.19 0.01 1 72 . 16 GLN HB2 H 1.92 0.01 1 73 . 16 GLN HB3 H 1.92 0.01 1 74 . 16 GLN HG2 H 2.35 0.01 1 75 . 16 GLN HG3 H 2.35 0.01 1 76 . 16 GLN HE21 H 6.82 0.01 2 77 . 16 GLN HE22 H 7.56 0.01 2 78 . 17 SER H H 8.53 0.01 1 79 . 17 SER HA H 5.17 0.01 1 80 . 17 SER HB2 H 3.78 0.01 1 81 . 17 SER HB3 H 3.78 0.01 1 82 . 18 VAL H H 9.42 0.01 1 83 . 18 VAL HA H 4.76 0.01 1 84 . 18 VAL HB H 2.11 0.01 1 85 . 18 VAL HG1 H 0.88 0.01 1 86 . 18 VAL HG2 H 0.83 0.01 1 87 . 19 SER H H 8.47 0.01 1 88 . 19 SER HA H 4.64 0.01 1 89 . 19 SER HB2 H 3.83 0.01 1 90 . 19 SER HB3 H 3.83 0.01 1 91 . 20 VAL H H 8.94 0.01 1 92 . 20 VAL HA H 4.29 0.01 1 93 . 20 VAL HB H 0.41 0.01 1 94 . 20 VAL HG1 H 0.21 0.01 1 95 . 20 VAL HG2 H 0.41 0.01 1 96 . 21 SER H H 8.51 0.01 1 97 . 21 SER HA H 5.00 0.01 1 98 . 21 SER HB2 H 3.53 0.01 2 99 . 21 SER HB3 H 3.63 0.01 2 100 . 22 VAL H H 9.00 0.01 1 101 . 22 VAL HA H 5.17 0.01 1 102 . 22 VAL HB H 1.89 0.01 1 103 . 22 VAL HG1 H 0.88 0.01 2 104 . 22 VAL HG2 H 0.91 0.01 2 105 . 23 SER H H 8.90 0.01 1 106 . 23 SER HA H 4.90 0.01 1 107 . 23 SER HB2 H 3.86 0.01 1 108 . 23 SER HB3 H 3.86 0.01 1 109 . 24 GLY H H 9.33 0.01 1 110 . 24 GLY HA2 H 3.94 0.01 1 111 . 24 GLY HA3 H 3.94 0.01 1 112 . 25 ALA H H 8.41 0.01 1 113 . 25 ALA HA H 4.41 0.01 1 114 . 25 ALA HB H 1.29 0.01 1 115 . 26 ALA H H 7.50 0.01 1 116 . 26 ALA HA H 4.35 0.01 1 117 . 26 ALA HB H 1.35 0.01 1 118 . 27 ALA H H 8.63 0.01 1 119 . 27 ALA HA H 4.25 0.01 1 120 . 27 ALA HB H 1.37 0.01 1 121 . 28 GLY H H 7.44 0.01 1 122 . 28 GLY HA2 H 3.91 0.01 1 123 . 28 GLY HA3 H 3.71 0.01 1 124 . 29 GLU H H 7.39 0.01 1 125 . 29 GLU HA H 4.47 0.01 1 126 . 29 GLU HB2 H 1.46 0.01 2 127 . 29 GLU HB3 H 1.48 0.01 2 128 . 29 GLU HG2 H 1.81 0.01 2 129 . 29 GLU HG3 H 1.92 0.01 2 130 . 30 THR H H 8.35 0.01 1 131 . 30 THR HA H 4.78 0.01 1 132 . 30 THR HB H 3.60 0.01 1 133 . 30 THR HG2 H 0.83 0.01 1 134 . 31 TYR H H 8.72 0.01 1 135 . 31 TYR HA H 4.18 0.01 1 136 . 31 TYR HB2 H 1.07 0.01 2 137 . 31 TYR HB3 H 2.17 0.01 2 138 . 31 TYR HD1 H 6.48 0.01 1 139 . 31 TYR HD2 H 6.48 0.01 1 140 . 31 TYR HE1 H 6.74 0.01 1 141 . 31 TYR HE2 H 6.74 0.01 1 142 . 32 TYR H H 8.53 0.01 1 143 . 32 TYR HA H 5.15 0.01 1 144 . 32 TYR HB2 H 2.91 0.01 2 145 . 32 TYR HB3 H 3.26 0.01 2 146 . 32 TYR HD1 H 7.18 0.01 1 147 . 32 TYR HD2 H 7.18 0.01 1 148 . 32 TYR HE1 H 6.75 0.01 1 149 . 32 TYR HE2 H 6.75 0.01 1 150 . 33 ILE H H 9.05 0.01 1 151 . 33 ILE HA H 5.69 0.01 1 152 . 33 ILE HB H 1.87 0.01 1 153 . 33 ILE HG12 H 0.71 0.01 2 154 . 33 ILE HG13 H 1.69 0.01 2 155 . 33 ILE HG2 H 1.25 0.01 1 156 . 33 ILE HD1 H 0.81 0.01 1 157 . 34 ALA H H 8.11 0.01 1 158 . 34 ALA HA H 4.93 0.01 1 159 . 34 ALA HB H 1.43 0.01 1 160 . 35 GLN H H 10.24 0.01 1 161 . 35 GLN HA H 5.38 0.01 1 162 . 35 GLN HB2 H 2.02 0.01 1 163 . 35 GLN HB3 H 2.02 0.01 1 164 . 35 GLN HG2 H 2.36 0.01 2 165 . 35 GLN HG3 H 2.48 0.01 2 166 . 35 GLN HE21 H 5.91 0.01 2 167 . 35 GLN HE22 H 9.37 0.01 2 168 . 36 CYS H H 8.81 0.01 1 169 . 36 CYS HA H 5.59 0.01 1 170 . 36 CYS HB2 H 2.69 0.01 2 171 . 36 CYS HB3 H 3.26 0.01 2 172 . 37 ALA H H 8.06 0.01 1 173 . 37 ALA HA H 4.96 0.01 1 174 . 37 ALA HB H 1.32 0.01 1 175 . 38 PRO HA H 5.05 0.01 1 176 . 38 PRO HB2 H 2.00 0.01 1 177 . 38 PRO HB3 H 2.08 0.01 1 178 . 38 PRO HG2 H 2.06 0.01 2 179 . 38 PRO HG3 H 2.35 0.01 2 180 . 38 PRO HD2 H 3.68 0.01 2 181 . 38 PRO HD3 H 3.88 0.01 2 182 . 39 VAL H H 9.01 0.01 1 183 . 39 VAL HA H 4.25 0.01 1 184 . 39 VAL HB H 1.75 0.01 1 185 . 39 VAL HG1 H 0.84 0.01 2 186 . 39 VAL HG2 H 0.88 0.01 2 187 . 40 GLY H H 9.05 0.01 1 188 . 40 GLY HA2 H 3.87 0.01 1 189 . 40 GLY HA3 H 3.87 0.01 1 190 . 41 GLY H H 8.64 0.01 1 191 . 41 GLY HA2 H 3.74 0.01 2 192 . 41 GLY HA3 H 4.13 0.01 2 193 . 42 GLN H H 7.73 0.01 1 194 . 42 GLN HA H 4.68 0.01 1 195 . 42 GLN HB2 H 1.97 0.01 1 196 . 42 GLN HB3 H 1.97 0.01 1 197 . 42 GLN HG2 H 2.30 0.01 1 198 . 42 GLN HG3 H 2.30 0.01 1 199 . 43 ASP H H 8.66 0.01 1 200 . 43 ASP HA H 4.82 0.01 1 201 . 43 ASP HB2 H 2.56 0.01 2 202 . 43 ASP HB3 H 2.64 0.01 2 203 . 44 ALA H H 8.94 0.01 1 204 . 44 ALA HA H 4.46 0.01 1 205 . 44 ALA HB H 1.32 0.01 1 206 . 45 CYS H H 9.49 0.01 1 207 . 45 CYS HA H 6.01 0.01 1 208 . 45 CYS HB2 H 2.82 0.01 2 209 . 45 CYS HB3 H 3.05 0.01 2 210 . 46 ASN H H 8.34 0.01 1 211 . 46 ASN HA H 4.97 0.01 1 212 . 46 ASN HB2 H 0.99 0.01 2 213 . 46 ASN HB3 H 3.02 0.01 2 214 . 46 ASN HD21 H 6.50 0.01 2 215 . 46 ASN HD22 H 7.65 0.01 2 216 . 47 PRO HA H 4.46 0.01 1 217 . 47 PRO HB2 H 2.06 0.01 2 218 . 47 PRO HB3 H 2.35 0.01 2 219 . 47 PRO HG2 H 2.19 0.01 1 220 . 47 PRO HG3 H 2.19 0.01 1 221 . 47 PRO HD2 H 4.43 0.01 2 222 . 47 PRO HD3 H 4.76 0.01 2 223 . 48 ALA H H 7.08 0.01 1 224 . 48 ALA HA H 4.26 0.01 1 225 . 48 ALA HB H 1.56 0.01 1 226 . 49 THR H H 6.64 0.01 1 227 . 49 THR HA H 4.30 0.01 1 228 . 49 THR HB H 4.00 0.01 1 229 . 49 THR HG1 H 6.03 0.01 1 230 . 49 THR HG2 H 0.98 0.01 1 231 . 50 ALA H H 6.72 0.01 1 232 . 50 ALA HA H 4.90 0.01 1 233 . 50 ALA HB H 1.59 0.01 1 234 . 51 THR H H 8.79 0.01 1 235 . 51 THR HA H 4.99 0.01 1 236 . 51 THR HB H 4.21 0.01 1 237 . 51 THR HG2 H 1.32 0.01 1 238 . 52 SER H H 8.64 0.01 1 239 . 52 SER HA H 5.70 0.01 1 240 . 52 SER HB2 H 3.54 0.01 2 241 . 52 SER HB3 H 3.68 0.01 2 242 . 53 PHE H H 8.81 0.01 1 243 . 53 PHE HA H 4.90 0.01 1 244 . 53 PHE HB2 H 2.35 0.01 2 245 . 53 PHE HB3 H 2.71 0.01 2 246 . 53 PHE HD1 H 6.71 0.01 1 247 . 53 PHE HD2 H 6.71 0.01 1 248 . 53 PHE HE1 H 6.82 0.01 1 249 . 53 PHE HE2 H 6.82 0.01 1 250 . 53 PHE HZ H 6.61 0.01 1 251 . 54 THR H H 8.59 0.01 1 252 . 54 THR HA H 5.50 0.01 1 253 . 54 THR HB H 3.82 0.01 1 254 . 54 THR HG2 H 1.12 0.01 1 255 . 55 THR H H 8.93 0.01 1 256 . 55 THR HA H 4.58 0.01 1 257 . 55 THR HB H 4.48 0.01 1 258 . 55 THR HG1 H 6.18 0.01 1 259 . 55 THR HG2 H 1.26 0.01 1 260 . 56 ASP H H 9.05 0.01 1 261 . 56 ASP HA H 4.74 0.01 1 262 . 56 ASP HB2 H 2.98 0.01 2 263 . 56 ASP HB3 H 3.52 0.01 2 264 . 57 ALA H H 8.28 0.01 1 265 . 57 ALA HA H 4.25 0.01 1 266 . 57 ALA HB H 1.51 0.01 1 267 . 58 SER H H 8.73 0.01 1 268 . 58 SER HA H 4.72 0.01 1 269 . 58 SER HB2 H 3.97 0.01 2 270 . 58 SER HB3 H 4.08 0.01 2 271 . 59 GLY H H 8.43 0.01 1 272 . 59 GLY HA2 H 4.27 0.01 1 273 . 59 GLY HA3 H 3.36 0.01 1 274 . 60 ALA H H 8.05 0.01 1 275 . 60 ALA HA H 5.26 0.01 1 276 . 60 ALA HB H 1.53 0.01 1 277 . 61 ALA H H 8.58 0.01 1 278 . 61 ALA HA H 4.73 0.01 1 279 . 61 ALA HB H 1.48 0.01 1 280 . 62 SER H H 8.64 0.01 1 281 . 62 SER HA H 5.28 0.01 1 282 . 62 SER HB2 H 3.81 0.01 1 283 . 62 SER HB3 H 3.81 0.01 1 284 . 63 PHE H H 8.20 0.01 1 285 . 63 PHE HA H 4.99 0.01 1 286 . 63 PHE HB2 H 3.27 0.01 2 287 . 63 PHE HB3 H 3.48 0.01 2 288 . 63 PHE HD1 H 6.95 0.01 1 289 . 63 PHE HD2 H 6.95 0.01 1 290 . 63 PHE HE1 H 6.27 0.01 1 291 . 63 PHE HE2 H 6.27 0.01 1 292 . 63 PHE HZ H 6.27 0.01 1 293 . 64 SER H H 8.71 0.01 1 294 . 64 SER HA H 5.66 0.01 1 295 . 64 SER HB2 H 3.80 0.01 2 296 . 64 SER HB3 H 3.85 0.01 2 297 . 65 PHE H H 9.05 0.01 1 298 . 65 PHE HA H 4.66 0.01 1 299 . 65 PHE HB2 H 2.71 0.01 2 300 . 65 PHE HB3 H 2.77 0.01 2 301 . 65 PHE HD1 H 7.03 0.01 1 302 . 65 PHE HD2 H 7.03 0.01 1 303 . 65 PHE HE1 H 7.35 0.01 1 304 . 65 PHE HE2 H 7.35 0.01 1 305 . 65 PHE HZ H 7.19 0.01 1 306 . 66 VAL H H 8.10 0.01 1 307 . 66 VAL HA H 4.44 0.01 1 308 . 66 VAL HB H 1.74 0.01 1 309 . 66 VAL HG1 H 0.65 0.01 1 310 . 66 VAL HG2 H 0.84 0.01 1 311 . 67 VAL H H 8.54 0.01 1 312 . 67 VAL HA H 4.62 0.01 1 313 . 67 VAL HB H 2.26 0.01 1 314 . 67 VAL HG1 H 1.14 0.01 1 315 . 67 VAL HG2 H 1.27 0.01 1 316 . 68 ARG H H 8.60 0.01 1 317 . 68 ARG HA H 5.11 0.01 1 318 . 68 ARG HB2 H 1.53 0.01 2 319 . 68 ARG HB3 H 2.17 0.01 2 320 . 68 ARG HG2 H 1.41 0.01 2 321 . 68 ARG HG3 H 1.86 0.01 2 322 . 68 ARG HD2 H 3.23 0.01 2 323 . 68 ARG HD3 H 3.34 0.01 2 324 . 68 ARG HE H 8.35 0.01 1 325 . 69 LYS H H 9.95 0.01 1 326 . 69 LYS HA H 2.26 0.01 1 327 . 69 LYS HB2 H 1.65 0.01 1 328 . 69 LYS HB3 H 1.65 0.01 1 329 . 69 LYS HG2 H 0.68 0.01 2 330 . 69 LYS HG3 H 1.22 0.01 2 331 . 69 LYS HD2 H 1.63 0.01 1 332 . 69 LYS HD3 H 1.63 0.01 1 333 . 69 LYS HE2 H 2.92 0.01 1 334 . 69 LYS HE3 H 2.92 0.01 1 335 . 70 SER H H 7.13 0.01 1 336 . 70 SER HA H 5.30 0.01 1 337 . 70 SER HB2 H 3.64 0.01 2 338 . 70 SER HB3 H 3.73 0.01 2 339 . 71 TYR H H 8.22 0.01 1 340 . 71 TYR HA H 4.84 0.01 1 341 . 71 TYR HB2 H 2.82 0.01 2 342 . 71 TYR HB3 H 3.05 0.01 2 343 . 71 TYR HD1 H 6.48 0.01 1 344 . 71 TYR HD2 H 6.48 0.01 1 345 . 71 TYR HE1 H 6.48 0.01 1 346 . 71 TYR HE2 H 6.48 0.01 1 347 . 71 TYR HH H 7.68 0.01 1 348 . 72 THR H H 8.79 0.01 1 349 . 72 THR HA H 4.31 0.01 1 350 . 72 THR HB H 4.17 0.01 1 351 . 72 THR HG2 H 1.22 0.01 1 352 . 73 GLY H H 9.12 0.01 1 353 . 73 GLY HA2 H 5.05 0.01 1 354 . 73 GLY HA3 H 3.36 0.01 1 355 . 74 SER H H 9.41 0.01 1 356 . 74 SER HA H 5.50 0.01 1 357 . 74 SER HB2 H 3.60 0.01 2 358 . 74 SER HB3 H 3.70 0.01 2 359 . 75 THR H H 9.51 0.01 1 360 . 75 THR HA H 5.54 0.01 1 361 . 75 THR HB H 4.95 0.01 1 362 . 75 THR HG2 H 1.39 0.01 1 363 . 76 PRO HA H 4.29 0.01 1 364 . 76 PRO HB2 H 1.82 0.01 2 365 . 76 PRO HB3 H 2.33 0.01 2 366 . 76 PRO HG2 H 2.05 0.01 2 367 . 76 PRO HG3 H 2.24 0.01 2 368 . 76 PRO HD2 H 4.00 0.01 2 369 . 76 PRO HD3 H 4.16 0.01 2 370 . 77 GLU H H 7.76 0.01 1 371 . 77 GLU HA H 4.28 0.01 1 372 . 77 GLU HB2 H 1.99 0.01 2 373 . 77 GLU HB3 H 2.16 0.01 2 374 . 77 GLU HG2 H 2.28 0.01 2 375 . 77 GLU HG3 H 2.44 0.01 2 376 . 78 GLY H H 8.40 0.01 1 377 . 78 GLY HA2 H 3.67 0.01 2 378 . 78 GLY HA3 H 4.37 0.01 2 379 . 79 THR H H 7.80 0.01 1 380 . 79 THR HA H 4.61 0.01 1 381 . 79 THR HB H 4.23 0.01 1 382 . 79 THR HG2 H 1.29 0.01 1 383 . 80 PRO HA H 4.69 0.01 1 384 . 80 PRO HB2 H 2.36 0.01 1 385 . 80 PRO HB3 H 2.36 0.01 1 386 . 80 PRO HG2 H 2.03 0.01 2 387 . 80 PRO HG3 H 2.20 0.01 2 388 . 80 PRO HD2 H 3.81 0.01 2 389 . 80 PRO HD3 H 4.20 0.01 2 390 . 81 VAL H H 8.59 0.01 1 391 . 81 VAL HA H 4.27 0.01 1 392 . 81 VAL HB H 1.84 0.01 1 393 . 81 VAL HG1 H 0.81 0.01 1 394 . 81 VAL HG2 H 0.81 0.01 1 395 . 82 GLY H H 7.57 0.01 1 396 . 82 GLY HA2 H 3.91 0.01 1 397 . 82 GLY HA3 H 4.43 0.01 1 398 . 83 SER H H 8.54 0.01 1 399 . 83 SER HA H 4.40 0.01 1 400 . 83 SER HB2 H 3.71 0.01 1 401 . 83 SER HB3 H 3.71 0.01 1 402 . 84 VAL H H 8.71 0.01 1 403 . 84 VAL HA H 3.68 0.01 1 404 . 84 VAL HB H 0.41 0.01 1 405 . 84 VAL HG1 H 0.46 0.01 1 406 . 84 VAL HG2 H 0.53 0.01 1 407 . 85 ASP H H 8.25 0.01 1 408 . 85 ASP HA H 4.87 0.01 1 409 . 85 ASP HB2 H 2.40 0.01 2 410 . 85 ASP HB3 H 2.93 0.01 2 411 . 86 CYS H H 9.50 0.01 1 412 . 86 CYS HA H 4.87 0.01 1 413 . 86 CYS HB2 H 2.46 0.01 2 414 . 86 CYS HB3 H 3.84 0.01 2 415 . 87 ALA H H 8.98 0.01 1 416 . 87 ALA HA H 4.61 0.01 1 417 . 87 ALA HB H 1.51 0.01 1 418 . 88 THR H H 7.67 0.01 1 419 . 88 THR HA H 4.54 0.01 1 420 . 88 THR HB H 4.30 0.01 1 421 . 88 THR HG2 H 1.17 0.01 1 422 . 89 ALA H H 8.51 0.01 1 423 . 89 ALA HA H 4.56 0.01 1 424 . 89 ALA HB H 1.25 0.01 1 425 . 90 ALA H H 8.63 0.01 1 426 . 90 ALA HA H 4.78 0.01 1 427 . 90 ALA HB H 1.38 0.01 1 428 . 91 CYS H H 9.25 0.01 1 429 . 91 CYS HA H 5.23 0.01 1 430 . 91 CYS HB2 H 3.22 0.01 2 431 . 91 CYS HB3 H 4.02 0.01 2 432 . 92 ASN H H 9.91 0.01 1 433 . 92 ASN HA H 5.55 0.01 1 434 . 92 ASN HB2 H 2.41 0.01 2 435 . 92 ASN HB3 H 2.69 0.01 2 436 . 92 ASN HD21 H 7.65 0.01 1 437 . 92 ASN HD22 H 7.17 0.01 1 438 . 93 LEU H H 8.82 0.01 1 439 . 93 LEU HA H 5.07 0.01 1 440 . 93 LEU HB2 H 1.48 0.01 1 441 . 93 LEU HB3 H 1.48 0.01 1 442 . 93 LEU HG H 1.37 0.01 1 443 . 93 LEU HD1 H 0.23 0.01 1 444 . 93 LEU HD2 H 0.42 0.01 1 445 . 94 GLY H H 8.09 0.01 1 446 . 94 GLY HA2 H 5.00 0.01 1 447 . 94 GLY HA3 H 3.42 0.01 1 448 . 95 ALA H H 7.28 0.01 1 449 . 95 ALA HA H 5.90 0.01 1 450 . 95 ALA HB H 0.82 0.01 1 451 . 96 GLY H H 8.47 0.01 1 452 . 96 GLY HA2 H 4.95 0.01 1 453 . 96 GLY HA3 H 4.20 0.01 1 454 . 97 ASN H H 9.36 0.01 1 455 . 97 ASN HA H 5.02 0.01 1 456 . 97 ASN HB2 H 3.17 0.01 2 457 . 97 ASN HB3 H 3.54 0.01 2 458 . 97 ASN HD21 H 6.75 0.01 1 459 . 97 ASN HD22 H 6.27 0.01 1 460 . 98 SER H H 8.57 0.01 1 461 . 98 SER HA H 4.14 0.01 1 462 . 98 SER HB2 H 3.92 0.01 1 463 . 98 SER HB3 H 3.92 0.01 1 464 . 99 GLY H H 8.03 0.01 1 465 . 99 GLY HA2 H 3.75 0.01 2 466 . 99 GLY HA3 H 4.30 0.01 2 467 . 100 LEU H H 7.73 0.01 1 468 . 100 LEU HA H 4.52 0.01 1 469 . 100 LEU HB2 H 1.69 0.01 2 470 . 100 LEU HB3 H 1.84 0.01 2 471 . 100 LEU HG H 1.38 0.01 1 472 . 100 LEU HD1 H 0.93 0.01 1 473 . 100 LEU HD2 H 1.01 0.01 1 474 . 101 ASP H H 8.64 0.01 1 475 . 101 ASP HA H 4.99 0.01 1 476 . 101 ASP HB2 H 2.71 0.01 2 477 . 101 ASP HB3 H 2.86 0.01 2 478 . 102 LEU H H 8.59 0.01 1 479 . 102 LEU HA H 4.10 0.01 1 480 . 102 LEU HB2 H 1.08 0.01 2 481 . 102 LEU HB3 H 1.28 0.01 2 482 . 102 LEU HG H 1.21 0.01 1 483 . 102 LEU HD1 H 0.15 0.01 1 484 . 102 LEU HD2 H 0.52 0.01 1 485 . 103 GLY H H 7.87 0.01 1 486 . 103 GLY HA2 H 3.76 0.01 1 487 . 103 GLY HA3 H 4.46 0.01 1 488 . 104 HIS H H 8.16 0.01 1 489 . 104 HIS HA H 5.55 0.01 1 490 . 104 HIS HB2 H 2.87 0.01 2 491 . 104 HIS HB3 H 2.93 0.01 2 492 . 104 HIS HD2 H 7.24 0.01 1 493 . 104 HIS HE1 H 8.66 0.01 1 494 . 105 VAL H H 9.31 0.01 1 495 . 105 VAL HA H 4.28 0.01 1 496 . 105 VAL HB H 1.73 0.01 1 497 . 105 VAL HG1 H 0.93 0.01 1 498 . 105 VAL HG2 H 0.68 0.01 1 499 . 106 ALA H H 8.53 0.01 1 500 . 106 ALA HA H 4.32 0.01 1 501 . 106 ALA HB H 1.48 0.01 1 502 . 107 LEU H H 8.02 0.01 1 503 . 107 LEU HA H 5.21 0.01 1 504 . 107 LEU HB2 H 1.09 0.01 2 505 . 107 LEU HB3 H 1.64 0.01 2 506 . 107 LEU HG H 1.83 0.01 1 507 . 107 LEU HD1 H 0.85 0.01 1 508 . 107 LEU HD2 H 0.75 0.01 1 509 . 108 THR H H 8.22 0.01 1 510 . 108 THR HA H 4.96 0.01 1 511 . 108 THR HB H 4.13 0.01 1 512 . 108 THR HG2 H 1.34 0.01 1 513 . 109 PHE H H 9.21 0.01 1 514 . 109 PHE HA H 4.55 0.01 1 515 . 109 PHE HB2 H 2.71 0.01 2 516 . 109 PHE HB3 H 3.11 0.01 2 517 . 109 PHE HD1 H 7.01 0.01 1 518 . 109 PHE HD2 H 7.01 0.01 1 519 . 109 PHE HE1 H 6.94 0.01 1 520 . 109 PHE HE2 H 6.94 0.01 1 521 . 109 PHE HZ H 6.85 0.01 1 522 . 110 GLY H H 8.70 0.01 1 523 . 110 GLY HA2 H 3.91 0.01 1 524 . 110 GLY HA3 H 3.91 0.01 1 stop_ save_