data_15892 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1HN and 15N Assignments for Native Human alpha-Lactalbumin ; _BMRB_accession_number 15892 _BMRB_flat_file_name bmr15892.str _Entry_type original _Submission_date 2008-07-25 _Accession_date 2008-07-25 _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 Redfield Christina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 115 "15N chemical shifts" 115 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-05-18 update BMRB 'complete entry citation' 2009-04-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation1 _Saveframe_category entry_citation _Citation_full . _Citation_title '(15)N NMR relaxation data reveals significant chemical exchange broadening in the alpha-domain of human alpha-lactalbumin' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19309110 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bruylants Gilles . . 2 Redfield Christina . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 48 _Journal_issue 19 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4031 _Page_last 4039 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human alpha-lactalbumin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label alpha-lactalbumin $alpha-lactalbumin CA_2+ $CA_2+ stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_alpha-lactalbumin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common alpha-lactalbumin _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; MKQFTKCELSQLLKDIDGYG GIALPELICTMFHTSGYDTQ AIVENNESTEYGLFQISNKL WCKSSQVPQSRNICDISCDK FLDDDITDDIMCAKKILDIK GIDYWLAHKALCTEKLEQWL CEKL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 LYS 3 2 GLN 4 3 PHE 5 4 THR 6 5 LYS 7 6 CYS 8 7 GLU 9 8 LEU 10 9 SER 11 10 GLN 12 11 LEU 13 12 LEU 14 13 LYS 15 14 ASP 16 15 ILE 17 16 ASP 18 17 GLY 19 18 TYR 20 19 GLY 21 20 GLY 22 21 ILE 23 22 ALA 24 23 LEU 25 24 PRO 26 25 GLU 27 26 LEU 28 27 ILE 29 28 CYS 30 29 THR 31 30 MET 32 31 PHE 33 32 HIS 34 33 THR 35 34 SER 36 35 GLY 37 36 TYR 38 37 ASP 39 38 THR 40 39 GLN 41 40 ALA 42 41 ILE 43 42 VAL 44 43 GLU 45 44 ASN 46 45 ASN 47 46 GLU 48 47 SER 49 48 THR 50 49 GLU 51 50 TYR 52 51 GLY 53 52 LEU 54 53 PHE 55 54 GLN 56 55 ILE 57 56 SER 58 57 ASN 59 58 LYS 60 59 LEU 61 60 TRP 62 61 CYS 63 62 LYS 64 63 SER 65 64 SER 66 65 GLN 67 66 VAL 68 67 PRO 69 68 GLN 70 69 SER 71 70 ARG 72 71 ASN 73 72 ILE 74 73 CYS 75 74 ASP 76 75 ILE 77 76 SER 78 77 CYS 79 78 ASP 80 79 LYS 81 80 PHE 82 81 LEU 83 82 ASP 84 83 ASP 85 84 ASP 86 85 ILE 87 86 THR 88 87 ASP 89 88 ASP 90 89 ILE 91 90 MET 92 91 CYS 93 92 ALA 94 93 LYS 95 94 LYS 96 95 ILE 97 96 LEU 98 97 ASP 99 98 ILE 100 99 LYS 101 100 GLY 102 101 ILE 103 102 ASP 104 103 TYR 105 104 TRP 106 105 LEU 107 106 ALA 108 107 HIS 109 108 LYS 110 109 ALA 111 110 LEU 112 111 CYS 113 112 THR 114 113 GLU 115 114 LYS 116 115 LEU 117 116 GLU 118 117 GLN 119 118 TRP 120 119 LEU 121 120 CYS 122 121 GLU 123 122 LYS 124 123 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-09-14 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 1A4V Alpha-Lactalbumin 99.19 123 100.00 100.00 3.37e-83 PDB 1B9O "Human Alpha-Lactalbumin, Low Temperature Form" 99.19 123 99.19 100.00 1.98e-82 PDB 1HML "Alpha_lactalbumin Possesses A Distinct Zinc Binding Site" 99.19 142 100.00 100.00 1.82e-83 PDB 3B0I "Crystal Structure Of Recombinant Human Alpha Lactalbumin" 100.00 124 100.00 100.00 3.96e-84 PDB 3B0O "Crystal Structure Of Alpha-lactalbumin" 98.39 123 100.00 100.00 9.94e-83 PDB 4L41 "Human Lactose Synthase: A 2:1 Complex Between Human Alpha-lactalbumin And Human Beta1,4-galactosyltransferase" 99.19 124 100.00 100.00 2.25e-83 DBJ BAC06860 "alpha-lactalbumin [Homo sapiens]" 99.19 142 100.00 100.00 1.82e-83 DBJ BAJ20953 "lactalbumin, alpha- [synthetic construct]" 99.19 142 100.00 100.00 1.82e-83 EMBL CAA28799 "alpha-lactalbumin precursor [Homo sapiens]" 99.19 142 100.00 100.00 1.82e-83 EMBL CAA28800 "mature alpha-lactalbumin [Homo sapiens]" 99.19 123 100.00 100.00 3.37e-83 EMBL CAG46784 "LALBA [Homo sapiens]" 99.19 142 100.00 100.00 1.82e-83 EMBL CAG46814 "LALBA [Homo sapiens]" 99.19 142 100.00 100.00 1.82e-83 GB AAA60345 "alpha-lactalbumin [Homo sapiens]" 99.19 142 100.00 100.00 1.82e-83 GB AAH69103 "Lactalbumin, alpha- [Homo sapiens]" 99.19 142 100.00 100.00 1.82e-83 GB AAI12317 "Lactalbumin, alpha-, precursor [Homo sapiens]" 99.19 142 100.00 100.00 1.82e-83 GB AAI12319 "Lactalbumin, alpha- [Homo sapiens]" 99.19 142 100.00 100.00 1.82e-83 GB AAX36575 "alpha-lactalbumin [synthetic construct]" 99.19 142 100.00 100.00 1.82e-83 REF NP_002280 "alpha-lactalbumin precursor [Homo sapiens]" 99.19 142 100.00 100.00 1.82e-83 REF XP_001102116 "PREDICTED: alpha-lactalbumin [Macaca mulatta]" 99.19 142 97.56 98.37 2.76e-81 REF XP_001160401 "PREDICTED: alpha-lactalbumin [Pan troglodytes]" 83.87 123 99.04 99.04 2.96e-68 REF XP_002823206 "PREDICTED: alpha-lactalbumin [Pongo abelii]" 99.19 142 97.56 98.37 1.84e-81 REF XP_003252260 "PREDICTED: alpha-lactalbumin [Nomascus leucogenys]" 99.19 142 98.37 100.00 4.22e-82 SP P00709 "RecName: Full=Alpha-lactalbumin; AltName: Full=Lactose synthase B protein; AltName: Full=Lysozyme-like protein 7; Flags: Precur" 99.19 142 100.00 100.00 1.82e-83 TPE CDM98741 "TPA: lysozyme G [Homo sapiens]" 99.19 142 100.00 100.00 1.82e-83 TPE CDM98755 "TPA: lysozyme G [Nomascus leucogenys]" 99.19 142 98.37 100.00 4.22e-82 TPE CDM98761 "TPA: lysozyme G [Macaca mulatta]" 99.19 142 97.56 98.37 2.76e-81 stop_ save_ ############# # Ligands # ############# save_CA_2+ _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA_2+ (CALCIUM (II) ION)" _Abbreviation_common Ca _BMRB_code CA_2+ _PDB_code CA _Molecular_mass . _Mol_charge 2+ _Mol_paramagnetic no _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2+ . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $alpha-lactalbumin Human 9606 Eukaryota Metazoa Homo sapiens 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 $alpha-lactalbumin 'recombinant technology' . Escherichia coli . 'not known' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'pH 6.3' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $alpha-lactalbumin 1 mM '[U-99% 15N]' CA_2+ 3 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details 'Used for processing' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer GE _Model OMEGA _Field_strength 600 _Details 'home-built spectrometer using GE/Omega data acquistion computer, Oxford instruments magnet' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 6.3 . pH pressure 1 . atm temperature 291 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 water H 1 protons ppm 4.82 internal direct . . . 1.0 water N 15 nitrogen ppm 4.82 na indirect . . . 0.101329118 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $Felix stop_ loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name alpha-lactalbumin _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 2 3 GLN H H 8.67 0.01 1 2 2 3 GLN N N 127.37 0.01 1 3 3 4 PHE H H 8.18 0.01 1 4 3 4 PHE N N 123.00 0.01 1 5 4 5 THR H H 8.23 0.01 1 6 4 5 THR N N 107.99 0.01 1 7 5 6 LYS H H 8.99 0.01 1 8 5 6 LYS N N 120.80 0.01 1 9 7 8 GLU H H 7.84 0.01 1 10 7 8 GLU N N 123.91 0.01 1 11 8 9 LEU H H 8.26 0.01 1 12 8 9 LEU N N 118.86 0.01 1 13 9 10 SER H H 8.02 0.01 1 14 9 10 SER N N 113.37 0.01 1 15 10 11 GLN H H 7.27 0.01 1 16 10 11 GLN N N 117.41 0.01 1 17 11 12 LEU H H 7.60 0.01 1 18 11 12 LEU N N 119.38 0.01 1 19 12 13 LEU H H 7.85 0.01 1 20 12 13 LEU N N 115.68 0.01 1 21 13 14 LYS H H 7.07 0.01 1 22 13 14 LYS N N 120.07 0.01 1 23 14 15 ASP H H 8.55 0.01 1 24 14 15 ASP N N 116.58 0.01 1 25 15 16 ILE H H 8.12 0.01 1 26 15 16 ILE N N 115.73 0.01 1 27 16 17 ASP H H 7.37 0.01 1 28 16 17 ASP N N 121.58 0.01 1 29 17 18 GLY H H 8.57 0.01 1 30 17 18 GLY N N 118.23 0.01 1 31 18 19 TYR H H 8.46 0.01 1 32 18 19 TYR N N 127.18 0.01 1 33 19 20 GLY H H 8.68 0.01 1 34 19 20 GLY N N 117.26 0.01 1 35 20 21 GLY H H 8.02 0.01 1 36 20 21 GLY N N 105.50 0.01 1 37 21 22 ILE H H 7.37 0.01 1 38 21 22 ILE N N 119.88 0.01 1 39 22 23 ALA H H 8.63 0.01 1 40 22 23 ALA N N 128.54 0.01 1 41 23 24 LEU H H 8.96 0.01 1 42 23 24 LEU N N 125.11 0.01 1 43 25 26 GLU H H 7.29 0.01 1 44 25 26 GLU N N 113.37 0.01 1 45 26 27 LEU H H 7.78 0.01 1 46 26 27 LEU N N 124.62 0.01 1 47 27 28 ILE H H 8.51 0.01 1 48 27 28 ILE N N 121.07 0.01 1 49 28 29 CYS H H 7.73 0.01 1 50 28 29 CYS N N 120.45 0.01 1 51 29 30 THR H H 7.39 0.01 1 52 29 30 THR N N 117.71 0.01 1 53 30 31 MET H H 8.43 0.01 1 54 30 31 MET N N 122.46 0.01 1 55 31 32 PHE H H 8.41 0.01 1 56 31 32 PHE N N 123.90 0.01 1 57 32 33 HIS H H 7.29 0.01 1 58 32 33 HIS N N 115.91 0.01 1 59 33 34 THR H H 7.58 0.01 1 60 33 34 THR N N 116.10 0.01 1 61 34 35 SER H H 8.23 0.01 1 62 34 35 SER N N 111.64 0.01 1 63 35 36 GLY H H 7.95 0.01 1 64 35 36 GLY N N 115.72 0.01 1 65 36 37 TYR H H 7.26 0.01 1 66 36 37 TYR N N 107.36 0.01 1 67 37 38 ASP H H 7.15 0.01 1 68 37 38 ASP N N 119.69 0.01 1 69 38 39 THR H H 8.17 0.01 1 70 38 39 THR N N 116.14 0.01 1 71 39 40 GLN H H 8.08 0.01 1 72 39 40 GLN N N 114.96 0.01 1 73 40 41 ALA H H 6.99 0.01 1 74 40 41 ALA N N 123.38 0.01 1 75 41 42 ILE H H 8.04 0.01 1 76 41 42 ILE N N 119.38 0.01 1 77 42 43 VAL H H 8.25 0.01 1 78 42 43 VAL N N 128.04 0.01 1 79 43 44 GLU H H 8.82 0.01 1 80 43 44 GLU N N 127.73 0.01 1 81 44 45 ASN H H 8.73 0.01 1 82 44 45 ASN N N 123.28 0.01 1 83 45 46 ASN H H 8.81 0.01 1 84 45 46 ASN N N 117.50 0.01 1 85 46 47 GLU H H 8.68 0.01 1 86 46 47 GLU N N 116.10 0.01 1 87 47 48 SER H H 7.72 0.01 1 88 47 48 SER N N 112.35 0.01 1 89 48 49 THR H H 8.93 0.01 1 90 48 49 THR N N 116.61 0.01 1 91 49 50 GLU H H 8.61 0.01 1 92 49 50 GLU N N 124.39 0.01 1 93 50 51 TYR H H 8.60 0.01 1 94 50 51 TYR N N 118.83 0.01 1 95 52 53 LEU H H 10.01 0.01 1 96 52 53 LEU N N 125.12 0.01 1 97 53 54 PHE H H 9.13 0.01 1 98 53 54 PHE N N 111.97 0.01 1 99 54 55 GLN H H 8.23 0.01 1 100 54 55 GLN N N 118.45 0.01 1 101 55 56 ILE H H 8.02 0.01 1 102 55 56 ILE N N 123.02 0.01 1 103 56 57 SER H H 7.50 0.01 1 104 56 57 SER N N 120.61 0.01 1 105 57 58 ASN H H 9.32 0.01 1 106 57 58 ASN N N 127.17 0.01 1 107 58 59 LYS H H 8.64 0.01 1 108 58 59 LYS N N 118.63 0.01 1 109 59 60 LEU H H 6.69 0.01 1 110 59 60 LEU N N 112.03 0.01 1 111 60 61 TRP H H 7.09 0.01 1 112 60 61 TRP N N 115.06 0.01 1 113 61 62 CYS H H 7.51 0.01 1 114 61 62 CYS N N 110.28 0.01 1 115 62 63 LYS H H 8.66 0.01 1 116 62 63 LYS N N 122.10 0.01 1 117 63 64 SER H H 9.22 0.01 1 118 63 64 SER N N 113.55 0.01 1 119 65 66 GLN H H 7.82 0.01 1 120 65 66 GLN N N 120.13 0.01 1 121 66 67 VAL H H 6.60 0.01 1 122 66 67 VAL N N 113.58 0.01 1 123 68 69 GLN H H 8.89 0.01 1 124 68 69 GLN N N 115.74 0.01 1 125 69 70 SER H H 7.36 0.01 1 126 69 70 SER N N 114.34 0.01 1 127 70 71 ARG H H 8.68 0.01 1 128 70 71 ARG N N 127.71 0.01 1 129 71 72 ASN H H 7.82 0.01 1 130 71 72 ASN N N 115.36 0.01 1 131 72 73 ILE H H 8.41 0.01 1 132 72 73 ILE N N 119.23 0.01 1 133 73 74 CYS H H 9.12 0.01 1 134 73 74 CYS N N 113.15 0.01 1 135 74 75 ASP H H 7.91 0.01 1 136 74 75 ASP N N 122.26 0.01 1 137 75 76 ILE H H 9.07 0.01 1 138 75 76 ILE N N 120.33 0.01 1 139 76 77 SER H H 8.08 0.01 1 140 76 77 SER N N 120.15 0.01 1 141 77 78 CYS H H 8.74 0.01 1 142 77 78 CYS N N 124.93 0.01 1 143 78 79 ASP H H 7.82 0.01 1 144 78 79 ASP N N 115.36 0.01 1 145 79 80 LYS H H 7.50 0.01 1 146 79 80 LYS N N 119.69 0.01 1 147 80 81 PHE H H 8.07 0.01 1 148 80 81 PHE N N 121.51 0.01 1 149 81 82 LEU H H 6.98 0.01 1 150 81 82 LEU N N 113.59 0.01 1 151 82 83 ASP H H 7.49 0.01 1 152 82 83 ASP N N 119.54 0.01 1 153 83 84 ASP H H 7.88 0.01 1 154 83 84 ASP N N 114.25 0.01 1 155 84 85 ASP H H 7.20 0.01 1 156 84 85 ASP N N 116.86 0.01 1 157 85 86 ILE H H 9.15 0.01 1 158 85 86 ILE N N 121.98 0.01 1 159 86 87 THR H H 8.56 0.01 1 160 86 87 THR N N 119.36 0.01 1 161 87 88 ASP H H 8.36 0.01 1 162 87 88 ASP N N 121.73 0.01 1 163 88 89 ASP H H 10.34 0.01 1 164 88 89 ASP N N 124.87 0.01 1 165 89 90 ILE H H 8.84 0.01 1 166 89 90 ILE N N 117.41 0.01 1 167 90 91 MET H H 7.37 0.01 1 168 90 91 MET N N 117.96 0.01 1 169 91 92 CYS H H 7.89 0.01 1 170 91 92 CYS N N 117.55 0.01 1 171 92 93 ALA H H 8.73 0.01 1 172 92 93 ALA N N 123.28 0.01 1 173 93 94 LYS H H 8.08 0.01 1 174 93 94 LYS N N 115.42 0.01 1 175 94 95 LYS H H 6.99 0.01 1 176 94 95 LYS N N 118.42 0.01 1 177 95 96 ILE H H 7.69 0.01 1 178 95 96 ILE N N 119.74 0.01 1 179 96 97 LEU H H 8.56 0.01 1 180 96 97 LEU N N 121.15 0.01 1 181 97 98 ASP H H 8.40 0.01 1 182 97 98 ASP N N 118.81 0.01 1 183 98 99 ILE H H 8.11 0.01 1 184 98 99 ILE N N 118.25 0.01 1 185 99 100 LYS H H 8.98 0.01 1 186 99 100 LYS N N 118.56 0.01 1 187 100 101 GLY H H 8.19 0.01 1 188 100 101 GLY N N 108.76 0.01 1 189 101 102 ILE H H 8.51 0.01 1 190 101 102 ILE N N 117.47 0.01 1 191 102 103 ASP H H 8.15 0.01 1 192 102 103 ASP N N 117.28 0.01 1 193 103 104 TYR H H 7.70 0.01 1 194 103 104 TYR N N 119.99 0.01 1 195 104 105 TRP H H 7.62 0.01 1 196 104 105 TRP N N 116.44 0.01 1 197 106 107 ALA H H 8.75 0.01 1 198 106 107 ALA N N 116.67 0.01 1 199 107 108 HIS H H 7.73 0.01 1 200 107 108 HIS N N 113.10 0.01 1 201 109 110 ALA H H 7.22 0.01 1 202 109 110 ALA N N 118.21 0.01 1 203 110 111 LEU H H 7.44 0.01 1 204 110 111 LEU N N 113.36 0.01 1 205 111 112 CYS H H 7.63 0.01 1 206 111 112 CYS N N 116.70 0.01 1 207 112 113 THR H H 7.93 0.01 1 208 112 113 THR N N 104.56 0.01 1 209 113 114 GLU H H 7.64 0.01 1 210 113 114 GLU N N 118.62 0.01 1 211 114 115 LYS H H 9.09 0.01 1 212 114 115 LYS N N 118.15 0.01 1 213 115 116 LEU H H 8.47 0.01 1 214 115 116 LEU N N 117.62 0.01 1 215 116 117 GLU H H 9.22 0.01 1 216 116 117 GLU N N 119.82 0.01 1 217 117 118 GLN H H 7.73 0.01 1 218 117 118 GLN N N 116.01 0.01 1 219 118 119 TRP H H 7.73 0.01 1 220 118 119 TRP N N 120.73 0.01 1 221 119 120 LEU H H 6.98 0.01 1 222 119 120 LEU N N 118.20 0.01 1 223 120 121 CYS H H 8.73 0.01 1 224 120 121 CYS N N 120.75 0.01 1 225 121 122 GLU H H 8.91 0.01 1 226 121 122 GLU N N 125.96 0.01 1 227 122 123 LYS H H 8.20 0.01 1 228 122 123 LYS N N 122.61 0.01 1 229 123 124 LEU H H 7.91 0.01 1 230 123 124 LEU N N 130.34 0.01 1 stop_ save_