data_1333 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequential 1H NMR Assignments of Iron(II) Cytochrome c551 from Pseudomonas aeruginosa ; _BMRB_accession_number 1333 _BMRB_flat_file_name bmr1333.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-13 _Entry_origination BMRB _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 Detlefsen David J. . 2 Thanabal V. . . 3 Pecoraro V. L. . 4 Wagner Gerhard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 394 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-06-19 update author 'Update natural source information' 2010-06-14 update BMRB 'Complete natural source information' 2008-10-16 update BMRB 'Sequence information corrected' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Detlefsen, David J., Thanabal, V., Pecoraro, V. L., Wagner, Gerhard, "Sequential 1H NMR Assignments of Iron(II) Cytochrome c551 from Pseudomonas aeruginosa," Biochemistry 29 (40), 9377-9386 (1990). ; _Citation_title ; Sequential 1H NMR Assignments of Iron(II) Cytochrome c551 from Pseudomonas aeruginosa ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Detlefsen David J. . 2 Thanabal V. . . 3 Pecoraro V. L. . 4 Wagner Gerhard . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 29 _Journal_issue 40 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9377 _Page_last 9386 _Year 1990 _Details . save_ ################################## # Molecular system description # ################################## save_system_cytochrome_c551 _Saveframe_category molecular_system _Mol_system_name 'cytochrome c551' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'cytochrome c551' $cytochrome_c551 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_cytochrome_c551 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'cytochrome c551' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 81 _Mol_residue_sequence ; EDPEVLFKNKGCVACHAIDT KMVGPAYKDVAAKFAGQAGA EAELAQRIKNGSQGVWGPIP MPPNAVSDDEAQTLAKWVLS Q ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 ASP 3 PRO 4 GLU 5 VAL 6 LEU 7 PHE 8 LYS 9 ASN 10 LYS 11 GLY 12 CYS 13 VAL 14 ALA 15 CYS 16 HIS 17 ALA 18 ILE 19 ASP 20 THR 21 LYS 22 MET 23 VAL 24 GLY 25 PRO 26 ALA 27 TYR 28 LYS 29 ASP 30 VAL 31 ALA 32 ALA 33 LYS 34 PHE 35 ALA 36 GLY 37 GLN 38 ALA 39 GLY 40 ALA 41 GLU 42 ALA 43 GLU 44 LEU 45 ALA 46 GLN 47 ARG 48 ILE 49 LYS 50 ASN 51 GLY 52 SER 53 GLN 54 GLY 55 VAL 56 TRP 57 GLY 58 PRO 59 ILE 60 PRO 61 MET 62 PRO 63 PRO 64 ASN 65 ALA 66 VAL 67 SER 68 ASP 69 ASP 70 GLU 71 ALA 72 GLN 73 THR 74 LEU 75 ALA 76 LYS 77 TRP 78 VAL 79 LEU 80 SER 81 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-29 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 10132 "cytochrome c551" 100.00 82 100.00 100.00 3.33e-51 BMRB 10133 "cytochrome c551" 100.00 82 100.00 100.00 3.33e-51 BMRB 1334 "cytochrome c551" 95.06 77 100.00 100.00 2.98e-48 BMRB 1734 "cytochrome c551" 100.00 82 97.53 97.53 1.22e-48 BMRB 1866 "cytochrome c551" 100.00 82 97.53 97.53 1.22e-48 BMRB 2968 "cytochrome c551" 100.00 82 97.53 97.53 1.22e-48 PDB 2EXV "Crystal Structure Of The F7a Mutant Of The Cytochrome C551 From Pseudomonas Aeruginosa" 100.00 82 98.77 98.77 6.17e-50 PDB 2PAC "Solution Structure Of Fe(ii) Cytochrome C551 From Pseudomonas Aeruginosa As Determined By Two-dimensional 1h Nmr" 100.00 82 100.00 100.00 3.33e-51 PDB 351C "Structure Of Cytochrome C551 From P. Aeruginosa Refined At 1.6 Angstroms Resolution And Comparison Of The Two Redox Forms" 100.00 82 100.00 100.00 3.33e-51 PDB 3X39 "Domain-swapped Dimer Of Pseudomonas Aeruginosa Cytochrome C551" 100.00 82 100.00 100.00 3.33e-51 PDB 451C "Structure Of Cytochrome C551 From P. Aeruginosa Refined At 1.6 Angstroms Resolution And Comparison Of The Two Redox Forms" 100.00 82 100.00 100.00 3.33e-51 DBJ BAD11780 "nirM [Burkholderia cepacia]" 100.00 104 100.00 100.00 2.73e-51 DBJ BAK92489 "cytochrome c-551 precursor [Pseudomonas aeruginosa NCGM2.S1]" 100.00 104 100.00 100.00 2.73e-51 DBJ BAP19663 "cytochrome c-551 precursor [Pseudomonas aeruginosa]" 100.00 104 100.00 100.00 2.73e-51 DBJ BAP48532 "cytochrome c-551 precursor [Pseudomonas aeruginosa]" 100.00 104 100.00 100.00 2.73e-51 DBJ BAQ37290 "cytochrome c-551 precursor [Pseudomonas aeruginosa]" 100.00 104 100.00 100.00 2.73e-51 EMBL CAA35703 "unnamed protein product [Pseudomonas aeruginosa]" 100.00 104 100.00 100.00 2.73e-51 EMBL CAA35958 "cytochrome c-551 [Pseudomonas aeruginosa]" 100.00 104 100.00 100.00 2.73e-51 EMBL CAW25242 "cytochrome c-551 precursor [Pseudomonas aeruginosa LESB58]" 100.00 104 100.00 100.00 2.73e-51 EMBL CCQ85614 "Cytochrome c551 NirM [Pseudomonas aeruginosa 18A]" 100.00 104 100.00 100.00 2.73e-51 EMBL CDH68848 "Cytochrome c-551 [Pseudomonas aeruginosa MH38]" 100.00 104 100.00 100.00 2.73e-51 GB AAG03907 "cytochrome c-551 precursor [Pseudomonas aeruginosa PAO1]" 100.00 104 100.00 100.00 2.73e-51 GB AAT49429 "PA0518, partial [synthetic construct]" 100.00 105 98.77 100.00 1.43e-50 GB ABJ15480 "cytochrome c-551 precursor [Pseudomonas aeruginosa UCBPP-PA14]" 100.00 104 100.00 100.00 2.73e-51 GB ABR83995 "cytochrome c-551 precursor [Pseudomonas aeruginosa PA7]" 100.00 104 98.77 98.77 3.38e-50 GB AEO73006 "cytochrome c-551 precursor [Pseudomonas aeruginosa M18]" 100.00 104 100.00 100.00 2.73e-51 PRF 630481A "cytochrome c551" 100.00 82 100.00 100.00 3.33e-51 REF NP_249209 "cytochrome C-551 [Pseudomonas aeruginosa PAO1]" 100.00 104 100.00 100.00 2.73e-51 REF WP_003084872 "MULTISPECIES: cytochrome c-551 [Pseudomonas]" 100.00 104 100.00 100.00 2.73e-51 REF WP_003118863 "cytochrome C biogenesis protein CcsA [Pseudomonas aeruginosa]" 100.00 104 98.77 98.77 1.15e-50 REF WP_003129143 "MULTISPECIES: cytochrome c-551 [Pseudomonas]" 100.00 104 100.00 100.00 2.95e-51 REF WP_012074083 "cytochrome C biogenesis protein CcsA [Pseudomonas aeruginosa]" 100.00 104 98.77 98.77 3.38e-50 SP P00099 "RecName: Full=Cytochrome c-551; AltName: Full=Cytochrome C8; AltName: Full=Cytochrome c551; Flags: Precursor" 100.00 104 100.00 100.00 2.73e-51 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $cytochrome_c551 'Pseudomonas aeruginosa' 287 Bacteria . Pseudomonas aeruginosa 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 $cytochrome_c551 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 . na temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _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 DSS H . . ppm 0 . . . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'cytochrome c551' _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 GLU HA H 3.99 . 1 2 . 1 GLU HB2 H 1.87 . 2 3 . 1 GLU HB3 H 2.08 . 2 4 . 1 GLU HG2 H 2.27 . 2 5 . 1 GLU HG3 H 2.52 . 2 6 . 2 ASP H H 9.42 . 1 7 . 2 ASP HA H 4.73 . 1 8 . 2 ASP HB2 H 2.57 . 2 9 . 2 ASP HB3 H 2.78 . 2 10 . 3 PRO HA H 3.74 . 1 11 . 3 PRO HB2 H 1.67 . 1 12 . 3 PRO HB3 H 1.67 . 1 13 . 3 PRO HG2 H 1.58 . 1 14 . 3 PRO HG3 H 1.58 . 1 15 . 3 PRO HD2 H 3.91 . 2 16 . 3 PRO HD3 H 3.55 . 2 17 . 4 GLU H H 8.27 . 1 18 . 4 GLU HA H 3.19 . 1 19 . 4 GLU HB2 H 1.87 . 2 20 . 4 GLU HB3 H 1.82 . 2 21 . 4 GLU HG2 H 2.19 . 1 22 . 4 GLU HG3 H 2.19 . 1 23 . 5 VAL H H 7.01 . 1 24 . 5 VAL HA H 3.64 . 1 25 . 5 VAL HB H 2.19 . 1 26 . 5 VAL HG1 H .88 . 2 27 . 5 VAL HG2 H .96 . 2 28 . 6 LEU H H 7.54 . 1 29 . 6 LEU HA H 4.06 . 1 30 . 6 LEU HB2 H 1.25 . 2 31 . 6 LEU HB3 H 2.03 . 2 32 . 6 LEU HG H 1.59 . 1 33 . 6 LEU HD1 H .87 . 2 34 . 6 LEU HD2 H .88 . 2 35 . 7 PHE H H 8.38 . 1 36 . 7 PHE HA H 4.24 . 1 37 . 7 PHE HB2 H 2.97 . 2 38 . 7 PHE HB3 H 2.86 . 2 39 . 7 PHE HD1 H 7.26 . 1 40 . 7 PHE HD2 H 7.26 . 1 41 . 7 PHE HE1 H 6.91 . 1 42 . 7 PHE HE2 H 6.91 . 1 43 . 7 PHE HZ H 7.12 . 1 44 . 8 LYS H H 6.89 . 1 45 . 8 LYS HA H 3.87 . 1 46 . 9 ASN H H 8.8 . 1 47 . 9 ASN HA H 4.58 . 1 48 . 9 ASN HB2 H 2.9 . 1 49 . 9 ASN HB3 H 2.9 . 1 50 . 9 ASN HD21 H 6.96 . 2 51 . 9 ASN HD22 H 7.67 . 2 52 . 10 LYS H H 8.97 . 1 53 . 10 LYS HA H 4.8 . 1 54 . 10 LYS HB2 H 2.53 . 1 55 . 10 LYS HB3 H 2.53 . 1 56 . 11 GLY H H 7.88 . 1 57 . 11 GLY HA2 H 3.97 . 2 58 . 11 GLY HA3 H 4.62 . 2 59 . 12 CYS H H 8.46 . 1 60 . 12 CYS HA H 4.92 . 1 61 . 12 CYS HB2 H 3 . 2 62 . 12 CYS HB3 H 3.3 . 2 63 . 13 VAL H H 6.61 . 1 64 . 13 VAL HA H 3.53 . 1 65 . 13 VAL HB H .98 . 1 66 . 13 VAL HG1 H .61 . 2 67 . 13 VAL HG2 H .81 . 2 68 . 14 ALA H H 7.32 . 1 69 . 14 ALA HA H 4.07 . 1 70 . 14 ALA HB H 1.62 . 1 71 . 15 CYS H H 6.87 . 1 72 . 15 CYS HA H 4.3 . 1 73 . 15 CYS HB2 H .93 . 2 74 . 15 CYS HB3 H 1.79 . 2 75 . 16 HIS H H 6.75 . 1 76 . 16 HIS HA H 3.68 . 1 77 . 16 HIS HB2 H .13 . 2 78 . 16 HIS HB3 H .82 . 2 79 . 16 HIS HD2 H .56 . 1 80 . 16 HIS HE1 H .66 . 1 81 . 17 ALA H H 7.72 . 1 82 . 17 ALA HA H 4.16 . 1 83 . 17 ALA HB H 1.18 . 1 84 . 18 ILE H H 8.34 . 1 85 . 18 ILE HA H 3.14 . 1 86 . 18 ILE HB H 1.5 . 1 87 . 18 ILE HG12 H 1.22 . 2 88 . 18 ILE HG13 H .68 . 2 89 . 18 ILE HG2 H .52 . 1 90 . 18 ILE HD1 H .59 . 1 91 . 19 ASP H H 8.03 . 1 92 . 19 ASP HA H 4.41 . 1 93 . 19 ASP HB2 H 2.4 . 2 94 . 19 ASP HB3 H 2.61 . 2 95 . 20 THR H H 6.46 . 1 96 . 20 THR HA H 4.34 . 1 97 . 20 THR HB H 3.7 . 1 98 . 20 THR HG2 H .89 . 1 99 . 21 LYS H H 8.43 . 1 100 . 21 LYS HA H 3.51 . 1 101 . 21 LYS HB2 H 1.6 . 2 102 . 21 LYS HB3 H 1.71 . 2 103 . 22 MET H H 7.31 . 1 104 . 22 MET HA H 4.28 . 1 105 . 23 VAL H H 6.92 . 1 106 . 23 VAL HA H 3.87 . 1 107 . 23 VAL HB H 1.79 . 1 108 . 23 VAL HG1 H 1.1 . 2 109 . 23 VAL HG2 H 1.53 . 2 110 . 24 GLY H H 6.67 . 1 111 . 24 GLY HA2 H .03 . 2 112 . 24 GLY HA3 H 3.64 . 2 113 . 25 PRO HA H 3.5 . 1 114 . 25 PRO HB2 H .42 . 2 115 . 25 PRO HB3 H .86 . 2 116 . 25 PRO HG2 H .02 . 2 117 . 25 PRO HG3 H .12 . 2 118 . 25 PRO HD2 H 2.01 . 2 119 . 25 PRO HD3 H 2.86 . 2 120 . 26 ALA H H 8.5 . 1 121 . 26 ALA HA H 3.76 . 1 122 . 26 ALA HB H .69 . 1 123 . 27 TYR H H 7.52 . 1 124 . 27 TYR HA H 4.04 . 1 125 . 27 TYR HB2 H 2.28 . 2 126 . 27 TYR HB3 H 2.66 . 2 127 . 27 TYR HD1 H 5.71 . 1 128 . 27 TYR HD2 H 5.71 . 1 129 . 28 LYS H H 8.88 . 1 130 . 28 LYS HA H 4.04 . 1 131 . 28 LYS HB2 H 1.62 . 1 132 . 28 LYS HB3 H 1.62 . 1 133 . 29 ASP H H 6.62 . 1 134 . 29 ASP HA H 4.67 . 1 135 . 29 ASP HB2 H 2.67 . 2 136 . 29 ASP HB3 H 2.75 . 2 137 . 30 VAL H H 7.61 . 1 138 . 30 VAL HA H 4.12 . 1 139 . 30 VAL HB H 2.18 . 1 140 . 30 VAL HG1 H .69 . 2 141 . 30 VAL HG2 H 1.55 . 2 142 . 31 ALA H H 8.63 . 1 143 . 31 ALA HA H 3.98 . 1 144 . 31 ALA HB H 1.54 . 1 145 . 32 ALA H H 7.59 . 1 146 . 32 ALA HA H 4.15 . 1 147 . 32 ALA HB H 1.55 . 1 148 . 33 LYS H H 7.84 . 1 149 . 33 LYS HA H 4.02 . 1 150 . 33 LYS HB2 H 1.99 . 1 151 . 33 LYS HB3 H 1.99 . 1 152 . 34 PHE H H 7.69 . 1 153 . 34 PHE HA H 4.52 . 1 154 . 34 PHE HB2 H 2.69 . 2 155 . 34 PHE HB3 H 3.41 . 2 156 . 34 PHE HD1 H 7.62 . 1 157 . 34 PHE HD2 H 7.62 . 1 158 . 34 PHE HE1 H 7.65 . 1 159 . 34 PHE HE2 H 7.65 . 1 160 . 34 PHE HZ H 7.6 . 1 161 . 35 ALA H H 7.71 . 1 162 . 35 ALA HA H 4.18 . 1 163 . 35 ALA HB H 1.5 . 1 164 . 36 GLY H H 8.89 . 1 165 . 36 GLY HA2 H 3.93 . 2 166 . 36 GLY HA3 H 4.02 . 2 167 . 37 GLN H H 7.73 . 1 168 . 37 GLN HA H 4.5 . 1 169 . 37 GLN HB2 H 2.2 . 1 170 . 37 GLN HB3 H 2.2 . 1 171 . 37 GLN HG2 H 2.32 . 2 172 . 37 GLN HG3 H 2.34 . 2 173 . 37 GLN HE21 H 6.81 . 2 174 . 37 GLN HE22 H 7.63 . 2 175 . 38 ALA H H 8.97 . 1 176 . 38 ALA HA H 4.25 . 1 177 . 38 ALA HB H 1.41 . 1 178 . 39 GLY H H 9.1 . 1 179 . 39 GLY HA2 H 3.83 . 2 180 . 39 GLY HA3 H 4.06 . 2 181 . 40 ALA H H 7.7 . 1 182 . 40 ALA HA H 4.05 . 1 183 . 40 ALA HB H 1.6 . 1 184 . 41 GLU H H 8.82 . 1 185 . 41 GLU HA H 3.6 . 1 186 . 41 GLU HB2 H 1.98 . 1 187 . 41 GLU HB3 H 1.98 . 1 188 . 42 ALA H H 7.86 . 1 189 . 42 ALA HA H 4.07 . 1 190 . 42 ALA HB H 1.38 . 1 191 . 43 GLU H H 7.77 . 1 192 . 43 GLU HA H 4.08 . 1 193 . 43 GLU HB2 H 1.92 . 2 194 . 43 GLU HB3 H 2.1 . 2 195 . 44 LEU H H 8.66 . 1 196 . 44 LEU HA H 3.88 . 1 197 . 44 LEU HB2 H 1.33 . 2 198 . 44 LEU HB3 H 1.87 . 2 199 . 44 LEU HG H 1.65 . 1 200 . 44 LEU HD1 H .75 . 2 201 . 44 LEU HD2 H .78 . 2 202 . 45 ALA H H 8.32 . 1 203 . 45 ALA HA H 3.78 . 1 204 . 45 ALA HB H 1.34 . 1 205 . 46 GLN H H 7.38 . 1 206 . 46 GLN HA H 3.82 . 1 207 . 46 GLN HB2 H 2.14 . 1 208 . 46 GLN HB3 H 2.14 . 1 209 . 46 GLN HG2 H 2.38 . 1 210 . 46 GLN HG3 H 2.38 . 1 211 . 46 GLN HE21 H 7.01 . 2 212 . 46 GLN HE22 H 7.29 . 2 213 . 47 ARG H H 7.68 . 1 214 . 47 ARG HA H 3.66 . 1 215 . 47 ARG HB2 H 1.72 . 1 216 . 47 ARG HB3 H 1.72 . 1 217 . 47 ARG HD2 H 3.05 . 2 218 . 47 ARG HD3 H 3.18 . 2 219 . 47 ARG HE H 7.43 . 1 220 . 47 ARG HH11 H 6.49 . 1 221 . 47 ARG HH12 H 6.49 . 1 222 . 47 ARG HH21 H 6.49 . 1 223 . 47 ARG HH22 H 6.49 . 1 224 . 48 ILE H H 8.15 . 1 225 . 48 ILE HA H 1.46 . 1 226 . 48 ILE HB H 1.7 . 1 227 . 48 ILE HG2 H .62 . 1 228 . 48 ILE HD1 H 1.28 . 1 229 . 49 LYS H H 7.11 . 1 230 . 49 LYS HA H 3.82 . 1 231 . 49 LYS HB2 H 1.35 . 2 232 . 49 LYS HB3 H 1.56 . 2 233 . 50 ASN H H 8.08 . 1 234 . 50 ASN HA H 4.44 . 1 235 . 50 ASN HB2 H 2.56 . 1 236 . 50 ASN HB3 H 2.56 . 1 237 . 50 ASN HD21 H 7.01 . 2 238 . 50 ASN HD22 H 7.3 . 2 239 . 51 GLY H H 7.39 . 1 240 . 51 GLY HA2 H 1.97 . 2 241 . 51 GLY HA3 H 3.56 . 2 242 . 52 SER H H 7.18 . 1 243 . 52 SER HA H 4.28 . 1 244 . 52 SER HB2 H 2.78 . 1 245 . 52 SER HB3 H 2.78 . 1 246 . 53 GLN H H 7.91 . 1 247 . 53 GLN HA H 4.28 . 1 248 . 53 GLN HB2 H 1.9 . 1 249 . 53 GLN HB3 H 1.9 . 1 250 . 53 GLN HG2 H 2.06 . 2 251 . 53 GLN HG3 H 2.22 . 2 252 . 53 GLN HE21 H 6.84 . 2 253 . 53 GLN HE22 H 7.47 . 2 254 . 54 GLY H H 8.42 . 1 255 . 54 GLY HA2 H 3.85 . 2 256 . 54 GLY HA3 H 4.14 . 2 257 . 55 VAL H H 10.45 . 1 258 . 55 VAL HA H 3.75 . 1 259 . 55 VAL HB H 2.43 . 1 260 . 55 VAL HG1 H .64 . 2 261 . 55 VAL HG2 H 1.01 . 2 262 . 56 TRP H H 10.73 . 1 263 . 56 TRP HA H 4.62 . 1 264 . 56 TRP HB2 H 3.61 . 2 265 . 56 TRP HB3 H 3.84 . 2 266 . 56 TRP HD1 H 7.7 . 1 267 . 56 TRP HE1 H 11.57 . 1 268 . 56 TRP HE3 H 8.03 . 1 269 . 56 TRP HZ2 H 7.59 . 1 270 . 56 TRP HZ3 H 7.28 . 1 271 . 56 TRP HH2 H 7.1 . 1 272 . 57 GLY H H 7.93 . 1 273 . 57 GLY HA2 H 4.11 . 2 274 . 57 GLY HA3 H 4.56 . 2 275 . 58 PRO HD2 H 3.62 . 2 276 . 58 PRO HD3 H 3.96 . 2 277 . 59 ILE H H 7.45 . 1 278 . 59 ILE HA H 4.64 . 1 279 . 59 ILE HB H 2.16 . 1 280 . 59 ILE HG12 H 1.48 . 2 281 . 59 ILE HG13 H 1.76 . 2 282 . 59 ILE HG2 H 1.3 . 1 283 . 59 ILE HD1 H 1.05 . 1 284 . 60 PRO HA H 4.82 . 1 285 . 60 PRO HB2 H 1.49 . 2 286 . 60 PRO HB3 H 1.98 . 2 287 . 60 PRO HD2 H 3.92 . 2 288 . 60 PRO HD3 H 4.09 . 2 289 . 61 MET H H 8.77 . 1 290 . 61 MET HA H 3.62 . 1 291 . 61 MET HB2 H 2.72 . 2 292 . 61 MET HB3 H .89 . 2 293 . 61 MET HG2 H 3.55 . 2 294 . 61 MET HG3 H .54 . 2 295 . 61 MET HE H -2.96 . 1 296 . 62 PRO HA H 4.19 . 1 297 . 62 PRO HB2 H 2.17 . 1 298 . 62 PRO HB3 H 2.17 . 1 299 . 62 PRO HD2 H 3.02 . 2 300 . 62 PRO HD3 H 3.81 . 2 301 . 63 PRO HA H 3.14 . 1 302 . 63 PRO HB2 H 1.45 . 2 303 . 63 PRO HB3 H 2.07 . 2 304 . 63 PRO HG2 H 1.6 . 2 305 . 63 PRO HG3 H 1.72 . 2 306 . 63 PRO HD2 H 3.18 . 2 307 . 63 PRO HD3 H 3.27 . 2 308 . 64 ASN H H 6.92 . 1 309 . 64 ASN HA H 4.78 . 1 310 . 64 ASN HB2 H 2.02 . 2 311 . 64 ASN HB3 H 2.43 . 2 312 . 65 ALA H H 8.83 . 1 313 . 65 ALA HA H 4.47 . 1 314 . 65 ALA HB H 1.28 . 1 315 . 66 VAL H H 7.7 . 1 316 . 66 VAL HA H 4.84 . 1 317 . 66 VAL HB H 2.44 . 1 318 . 66 VAL HG1 H .58 . 2 319 . 66 VAL HG2 H .71 . 2 320 . 67 SER H H 9.24 . 1 321 . 67 SER HA H 4.55 . 1 322 . 67 SER HB2 H 3.88 . 2 323 . 67 SER HB3 H 4.35 . 2 324 . 68 ASP H H 8.81 . 1 325 . 68 ASP HA H 4.28 . 1 326 . 68 ASP HB2 H 2.54 . 2 327 . 68 ASP HB3 H 2.59 . 2 328 . 69 ASP H H 8.42 . 1 329 . 69 ASP HA H 4.36 . 1 330 . 69 ASP HB2 H 2.55 . 1 331 . 69 ASP HB3 H 2.55 . 1 332 . 70 GLU H H 7.85 . 1 333 . 70 GLU HA H 3.82 . 1 334 . 70 GLU HB2 H 2.47 . 1 335 . 70 GLU HB3 H 2.47 . 1 336 . 71 ALA H H 8.82 . 1 337 . 71 ALA HA H 3.92 . 1 338 . 71 ALA HB H 1.55 . 1 339 . 72 GLN H H 8.11 . 1 340 . 72 GLN HA H 3.93 . 1 341 . 72 GLN HB2 H 2.2 . 1 342 . 72 GLN HB3 H 2.2 . 1 343 . 72 GLN HG2 H 2.36 . 2 344 . 72 GLN HG3 H 2.47 . 2 345 . 72 GLN HE21 H 6.64 . 2 346 . 72 GLN HE22 H 7.7 . 2 347 . 73 THR H H 8.23 . 1 348 . 73 THR HA H 3.97 . 1 349 . 73 THR HB H 4.29 . 1 350 . 73 THR HG2 H 1.23 . 1 351 . 74 LEU H H 8.59 . 1 352 . 74 LEU HA H 4.28 . 1 353 . 74 LEU HB2 H 1.71 . 2 354 . 74 LEU HB3 H 2.33 . 2 355 . 74 LEU HG H 1.78 . 1 356 . 74 LEU HD1 H 1.18 . 1 357 . 74 LEU HD2 H 1.18 . 1 358 . 75 ALA H H 8.81 . 1 359 . 75 ALA HA H 3.87 . 1 360 . 75 ALA HB H 1.58 . 1 361 . 76 LYS H H 8.19 . 1 362 . 76 LYS HA H 3.87 . 1 363 . 76 LYS HB2 H 1.96 . 1 364 . 76 LYS HB3 H 1.96 . 1 365 . 77 TRP H H 7.8 . 1 366 . 77 TRP HA H 4.37 . 1 367 . 77 TRP HB2 H 3.21 . 2 368 . 77 TRP HB3 H 3.53 . 2 369 . 77 TRP HD1 H 7.24 . 1 370 . 77 TRP HE1 H 10.18 . 1 371 . 77 TRP HE3 H 7.34 . 1 372 . 77 TRP HZ2 H 7.07 . 1 373 . 77 TRP HZ3 H 6.39 . 1 374 . 77 TRP HH2 H 5.77 . 1 375 . 78 VAL H H 9.18 . 1 376 . 78 VAL HA H 2.54 . 1 377 . 78 VAL HB H 2.18 . 1 378 . 78 VAL HG1 H .42 . 2 379 . 78 VAL HG2 H .61 . 2 380 . 79 LEU H H 7.75 . 1 381 . 79 LEU HA H 3.81 . 1 382 . 79 LEU HB2 H 1.55 . 2 383 . 79 LEU HB3 H 1.9 . 2 384 . 79 LEU HG H 1.81 . 1 385 . 79 LEU HD1 H .82 . 2 386 . 79 LEU HD2 H .88 . 2 387 . 80 SER H H 7.44 . 1 388 . 80 SER HA H 4.41 . 1 389 . 80 SER HB2 H 3.93 . 2 390 . 80 SER HB3 H 4.02 . 2 391 . 81 GLN H H 7.15 . 1 392 . 81 GLN HA H 3.89 . 1 393 . 81 GLN HB2 H 2.28 . 1 394 . 81 GLN HB3 H 2.28 . 1 stop_ save_