data_16593 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C chemical shifts for the apo form of F98N-flavodoxin from Anabaena PCC7119 ; _BMRB_accession_number 16593 _BMRB_flat_file_name bmr16593.str _Entry_type original _Submission_date 2009-11-02 _Accession_date 2009-11-02 _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 Ayuso-Tejedor Sara . . 2 Sancho Javier . . 3 Jimenez 'M. Angeles' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 491 "13C chemical shifts" 33 "15N chemical shifts" 79 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-08-12 update BMRB 'Complete entry citation' 2010-06-28 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 5011 'Wild type apoflavodoxin from Anabaena PCC 7119' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Design and structure of an equilibrium protein folding intermediate: a hint into dynamical regions of proteins.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20553732 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ayuso-Tejedor Sara . . 2 Angarica 'Vladimir Espinosa' . . 3 Bueno Marta . . 4 Campos Luis A. . 5 Abian Olga . . 6 Bernado Pau . . 7 Sancho Javier . . 8 Jimenez 'M. Angeles' . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 400 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 922 _Page_last 934 _Year 2010 _Details . loop_ _Keyword flavodoxin 'folding intermediate' 'unfolded state' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name F98N-fdx _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label F98N-fdx $F98N-fdx 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_F98N-fdx _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common F98N-fdx _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 169 _Mol_residue_sequence ; AKKIGLFYGTQTGKTESVAE IIRDEFGNDVVTLHDVSQAE VTDLNDYQYLIIGCPTWNIG ELQSDWEGLYSELDDVDFNG KLVAYFGTGDQIGYADNFQD AIGILEEKISQRGGKTVGYW STDGYDFNDSKALRNGKFVG LALDEDNQSDLTDDRIKSWV AQLKSEFGL ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 LYS 3 LYS 4 ILE 5 GLY 6 LEU 7 PHE 8 TYR 9 GLY 10 THR 11 GLN 12 THR 13 GLY 14 LYS 15 THR 16 GLU 17 SER 18 VAL 19 ALA 20 GLU 21 ILE 22 ILE 23 ARG 24 ASP 25 GLU 26 PHE 27 GLY 28 ASN 29 ASP 30 VAL 31 VAL 32 THR 33 LEU 34 HIS 35 ASP 36 VAL 37 SER 38 GLN 39 ALA 40 GLU 41 VAL 42 THR 43 ASP 44 LEU 45 ASN 46 ASP 47 TYR 48 GLN 49 TYR 50 LEU 51 ILE 52 ILE 53 GLY 54 CYS 55 PRO 56 THR 57 TRP 58 ASN 59 ILE 60 GLY 61 GLU 62 LEU 63 GLN 64 SER 65 ASP 66 TRP 67 GLU 68 GLY 69 LEU 70 TYR 71 SER 72 GLU 73 LEU 74 ASP 75 ASP 76 VAL 77 ASP 78 PHE 79 ASN 80 GLY 81 LYS 82 LEU 83 VAL 84 ALA 85 TYR 86 PHE 87 GLY 88 THR 89 GLY 90 ASP 91 GLN 92 ILE 93 GLY 94 TYR 95 ALA 96 ASP 97 ASN 98 PHE 99 GLN 100 ASP 101 ALA 102 ILE 103 GLY 104 ILE 105 LEU 106 GLU 107 GLU 108 LYS 109 ILE 110 SER 111 GLN 112 ARG 113 GLY 114 GLY 115 LYS 116 THR 117 VAL 118 GLY 119 TYR 120 TRP 121 SER 122 THR 123 ASP 124 GLY 125 TYR 126 ASP 127 PHE 128 ASN 129 ASP 130 SER 131 LYS 132 ALA 133 LEU 134 ARG 135 ASN 136 GLY 137 LYS 138 PHE 139 VAL 140 GLY 141 LEU 142 ALA 143 LEU 144 ASP 145 GLU 146 ASP 147 ASN 148 GLN 149 SER 150 ASP 151 LEU 152 THR 153 ASP 154 ASP 155 ARG 156 ILE 157 LYS 158 SER 159 TRP 160 VAL 161 ALA 162 GLN 163 LEU 164 LYS 165 SER 166 GLU 167 PHE 168 GLY 169 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 1580 flavodoxin 100.00 169 99.41 100.00 1.49e-115 PDB 1DX9 "W57a Apoflavodoxin From Anabaena" 100.00 169 98.82 99.41 2.52e-114 PDB 1FLV "Structure Of The Oxidized Long Chain Flavodoxin From Anabaena 7120 At 2 Angstroms Resolution" 100.00 169 99.41 100.00 1.49e-115 PDB 1FTG "Structure Of Apoflavodoxin: Closure Of A TyrosineTRYPTOPHAN AROMATIC Gate Leads To A Compact Fold" 99.41 168 100.00 100.00 2.35e-115 PDB 1OBO "W57l Flavodoxin From Anabaena" 100.00 169 99.41 99.41 6.88e-115 PDB 1OBV "Y94f Flavodoxin From Anabaena" 100.00 169 99.41 100.00 1.22e-115 PDB 1QHE "Energetics Of A Hydrogen Bond (Charged And Neutral) And Of A Cation-Pi Interaction In Apoflavodoxin" 99.41 168 100.00 100.00 2.35e-115 PDB 1RCF "Structure Of The Trigonal Form Of Recombinant Oxidized Flavodoxin From Anabaena 7120 At 1.40 Angstroms Resolution" 100.00 169 99.41 100.00 1.49e-115 PDB 2KQU "F98n Apoflavodoxin From Anabaena Pcc 7119" 100.00 169 99.41 99.41 8.10e-115 PDB 2V5U "I92a Flavodoxin From Anabaena" 100.00 169 99.41 99.41 2.43e-115 PDB 2V5V "W57e Flavodoxin From Anabaena" 100.00 169 99.41 99.41 1.35e-114 PDB 3ESX "E16ke61kd126kd150k Flavodoxin From Anabaena" 100.00 169 97.04 98.82 6.92e-113 PDB 3ESY "E16ke61k Flavodoxin From Anabaena" 100.00 169 98.22 100.00 1.74e-114 PDB 3ESZ "K2ak3a Flavodoxin From Anabaena" 100.00 169 98.22 98.82 5.19e-114 DBJ BAB74104 "flavodoxin [Nostoc sp. PCC 7120]" 100.00 170 99.41 100.00 6.36e-116 EMBL CAA32720 "flavodoxin ORF [Nostoc sp. PCC 7120]" 100.00 170 99.41 100.00 6.36e-116 GB AAB20462 "flavodoxin [Anabaena]" 100.00 170 99.41 100.00 6.36e-116 PIR S04600 "flavodoxin - Anabaena variabilis" 100.00 170 99.41 100.00 6.36e-116 PIR S18374 "flavodoxin - Anabaena sp. (PCC 7119) (fragment)" 99.41 168 100.00 100.00 2.35e-115 REF WP_010996561 "flavodoxin [Nostoc sp. PCC 7120]" 100.00 170 99.41 100.00 6.36e-116 SP P0A3D9 "RecName: Full=Flavodoxin" 100.00 170 99.41 100.00 6.36e-116 SP P0A3E0 "RecName: Full=Flavodoxin" 100.00 170 99.41 100.00 6.36e-116 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $F98N-fdx 'Anabaena PCC 7119' 1168 Bacteria . Anabaena . 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 $F98N-fdx 'recombinant technology' . Escherichia coli . pTrc99A stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $F98N-fdx 1 mM 'natural abundance' 'sodium phosphate' 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' DSS 0.1 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $F98N-fdx 1 mM 'natural abundance' 'sodium phosphate' 5 mM 'natural abundance' D2O 100 % 'natural abundance' DSS 0.1 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $F98N-fdx 1 mM [U-15N] 'sodium phosphate' 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' DSS 0.1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_3 save_ save_2D_1H-1H_COSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 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' 5 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 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 $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '2D 1H-1H NOESY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_3 $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name F98N-fdx _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 3 3 LYS H H 8.05 0.01 1 2 3 3 LYS HA H 4.73 0.01 1 3 3 3 LYS HB2 H 1.99 0.01 2 4 3 3 LYS HB3 H 1.99 0.01 2 5 3 3 LYS HG2 H 1.62 0.01 2 6 3 3 LYS HG3 H 1.54 0.01 2 7 3 3 LYS N N 119.8 0.1 1 8 4 4 ILE H H 8.48 0.01 1 9 4 4 ILE HA H 4.70 0.01 1 10 4 4 ILE HB H 1.28 0.01 1 11 4 4 ILE HD1 H -0.12 0.01 1 12 4 4 ILE HG12 H 1.11 0.01 2 13 4 4 ILE HG13 H 0.55 0.01 2 14 4 4 ILE HG2 H 0.35 0.01 1 15 4 4 ILE CD1 C 14.5 0.1 1 16 4 4 ILE CG2 C 16.7 0.1 1 17 4 4 ILE N N 119.6 0.1 1 18 5 5 GLY H H 8.06 0.01 1 19 5 5 GLY HA2 H 1.98 0.01 2 20 5 5 GLY HA3 H 4.07 0.01 2 21 5 5 GLY N N 117.2 0.1 1 22 6 6 LEU H H 8.70 0.01 1 23 6 6 LEU HA H 5.94 0.01 1 24 6 6 LEU HB2 H 1.90 0.01 2 25 6 6 LEU HB3 H 1.90 0.01 2 26 6 6 LEU HD1 H 1.02 0.01 2 27 6 6 LEU HD2 H 1.11 0.01 2 28 6 6 LEU N N 130.2 0.1 1 29 7 7 PHE H H 9.41 0.01 1 30 7 7 PHE HA H 5.53 0.01 1 31 7 7 PHE HB2 H 3.07 0.01 2 32 7 7 PHE HB3 H 2.68 0.01 2 33 7 7 PHE HD1 H 6.91 0.01 3 34 7 7 PHE HD2 H 6.91 0.01 3 35 7 7 PHE HE1 H 6.68 0.01 3 36 7 7 PHE HE2 H 6.68 0.01 3 37 7 7 PHE HZ H 6.50 0.01 1 38 7 7 PHE CA C 56.2 0.1 1 39 7 7 PHE CE1 C 130.6 0.1 1 40 7 7 PHE N N 128.3 0.1 1 41 8 8 TYR H H 8.53 0.01 1 42 8 8 TYR HA H 6.48 0.01 1 43 8 8 TYR HD1 H 6.85 0.01 3 44 8 8 TYR HD2 H 6.85 0.01 3 45 8 8 TYR HE1 H 6.53 0.01 3 46 8 8 TYR HE2 H 6.53 0.01 3 47 8 8 TYR CE1 C 117.2 0.1 1 48 18 18 VAL H H 7.58 0.01 1 49 18 18 VAL HA H 3.50 0.01 1 50 18 18 VAL HB H 2.10 0.01 1 51 18 18 VAL HG1 H 0.94 0.01 2 52 18 18 VAL HG2 H 0.55 0.01 2 53 18 18 VAL CA C 66.3 0.1 1 54 19 19 ALA HA H 3.83 0.01 1 55 20 20 GLU H H 7.88 0.01 1 56 20 20 GLU HA H 3.66 0.01 1 57 20 20 GLU HB2 H 2.13 0.01 2 58 20 20 GLU HB3 H 1.99 0.01 2 59 20 20 GLU HG2 H 2.47 0.01 2 60 20 20 GLU HG3 H 2.47 0.01 2 61 20 20 GLU N N 116.5 0.1 1 62 21 21 ILE H H 7.43 0.01 1 63 21 21 ILE HA H 3.85 0.01 1 64 21 21 ILE HB H 1.94 0.01 1 65 21 21 ILE HD1 H 0.82 0.01 1 66 21 21 ILE N N 120.0 0.1 1 67 22 22 ILE H H 8.19 0.01 1 68 22 22 ILE HA H 3.30 0.01 1 69 22 22 ILE HB H 1.82 0.01 1 70 22 22 ILE HD1 H 0.28 0.01 1 71 22 22 ILE HG13 H 0.58 0.01 2 72 22 22 ILE HG2 H 0.93 0.01 1 73 22 22 ILE CA C 66.5 0.1 1 74 22 22 ILE CD1 C 14.8 0.1 1 75 22 22 ILE N N 120.2 0.1 1 76 23 23 ARG H H 8.41 0.01 1 77 23 23 ARG HA H 3.74 0.01 1 78 23 23 ARG HB2 H 2.37 0.01 2 79 24 24 ASP H H 7.97 0.01 1 80 24 24 ASP HA H 4.45 0.01 1 81 24 24 ASP HB2 H 2.86 0.01 2 82 24 24 ASP HB3 H 2.86 0.01 2 83 24 24 ASP N N 120.0 0.1 1 84 25 25 GLU H H 8.45 0.01 1 85 25 25 GLU HA H 4.07 0.01 1 86 25 25 GLU HB2 H 2.03 0.01 2 87 25 25 GLU HB3 H 1.88 0.01 2 88 25 25 GLU HG2 H 2.26 0.01 2 89 25 25 GLU HG3 H 2.26 0.01 2 90 25 25 GLU N N 120.7 0.1 1 91 26 26 PHE H H 8.02 0.01 1 92 26 26 PHE HA H 4.05 0.01 1 93 26 26 PHE HB2 H 2.99 0.01 2 94 26 26 PHE HB3 H 2.99 0.01 2 95 26 26 PHE HD1 H 7.28 0.01 3 96 26 26 PHE HD2 H 7.28 0.01 3 97 26 26 PHE HE1 H 6.85 0.01 3 98 26 26 PHE HE2 H 6.85 0.01 3 99 26 26 PHE N N 117.4 0.1 1 100 27 27 GLY H H 8.00 0.01 1 101 27 27 GLY HA2 H 3.84 0.01 2 102 27 27 GLY HA3 H 4.44 0.01 2 103 27 27 GLY N N 106.2 0.1 1 104 28 28 ASN H H 8.93 0.01 1 105 28 28 ASN HA H 4.37 0.01 1 106 28 28 ASN HB2 H 2.86 0.01 2 107 28 28 ASN HB3 H 2.86 0.01 2 108 28 28 ASN HD21 H 7.68 0.01 2 109 28 28 ASN HD22 H 6.98 0.01 2 110 28 28 ASN ND2 N 113.5 0.1 1 111 29 29 ASP H H 8.90 0.01 1 112 29 29 ASP HA H 4.53 0.01 1 113 29 29 ASP HB2 H 2.77 0.01 2 114 29 29 ASP HB3 H 2.71 0.01 2 115 30 30 VAL H H 7.70 0.01 1 116 30 30 VAL HA H 4.08 0.01 1 117 30 30 VAL HB H 2.06 0.01 1 118 30 30 VAL HG1 H 1.02 0.01 2 119 30 30 VAL HG2 H 0.87 0.01 2 120 30 30 VAL N N 118.3 0.1 1 121 31 31 VAL H H 7.82 0.01 1 122 31 31 VAL HA H 4.80 0.01 1 123 31 31 VAL HB H 1.79 0.01 1 124 31 31 VAL HG1 H 0.59 0.01 2 125 31 31 VAL HG2 H 0.62 0.01 2 126 32 32 THR H H 8.54 0.01 1 127 32 32 THR HA H 4.37 0.01 1 128 32 32 THR HB H 4.11 0.01 1 129 32 32 THR HG2 H 0.89 0.01 1 130 32 32 THR N N 123.8 0.1 1 131 33 33 LEU H H 8.58 0.01 1 132 33 33 LEU HA H 4.72 0.01 1 133 33 33 LEU HB2 H 1.80 0.01 2 134 33 33 LEU HB3 H 1.64 0.01 2 135 33 33 LEU HD1 H 0.89 0.01 2 136 33 33 LEU HD2 H 0.77 0.01 2 137 33 33 LEU HG H 1.53 0.01 1 138 33 33 LEU N N 127.4 0.1 1 139 34 34 HIS H H 9.18 0.01 1 140 34 34 HIS HA H 4.33 0.01 1 141 34 34 HIS HD2 H 5.83 0.01 1 142 34 34 HIS HE1 H 7.84 0.01 1 143 34 34 HIS CE1 C 136.7 0.1 1 144 34 34 HIS N N 121.5 0.1 1 145 35 35 ASP H H 8.18 0.01 1 146 35 35 ASP HA H 3.72 0.01 1 147 35 35 ASP HB2 H 2.63 0.01 2 148 35 35 ASP HB3 H 2.38 0.01 2 149 35 35 ASP N N 125.2 0.1 1 150 36 36 VAL H H 8.25 0.01 1 151 36 36 VAL HA H 4.18 0.01 1 152 36 36 VAL HB H 2.15 0.01 1 153 36 36 VAL HG1 H 0.93 0.01 2 154 36 36 VAL HG2 H 0.93 0.01 2 155 36 36 VAL N N 122.0 0.1 1 156 37 37 SER H H 8.71 0.01 1 157 37 37 SER HA H 4.27 0.01 1 158 37 37 SER HB2 H 3.93 0.01 2 159 37 37 SER HB3 H 3.93 0.01 2 160 37 37 SER N N 116.8 0.1 1 161 38 38 GLN H H 7.68 0.01 1 162 38 38 GLN HA H 4.56 0.01 1 163 38 38 GLN HB2 H 1.86 0.01 2 164 38 38 GLN HB3 H 1.86 0.01 2 165 38 38 GLN HE21 H 7.49 0.01 2 166 38 38 GLN HE22 H 6.82 0.01 2 167 38 38 GLN HG2 H 2.31 0.01 2 168 38 38 GLN HG3 H 2.31 0.01 2 169 38 38 GLN N N 119.1 0.1 1 170 38 38 GLN NE2 N 112.6 0.1 1 171 39 39 ALA H H 7.36 0.01 1 172 39 39 ALA HA H 4.58 0.01 1 173 39 39 ALA HB H 1.43 0.01 1 174 39 39 ALA CB C 20.6 0.1 1 175 39 39 ALA N N 122.6 0.1 1 176 40 40 GLU H H 8.56 0.01 1 177 40 40 GLU HA H 4.64 0.01 1 178 40 40 GLU HB2 H 2.14 0.01 2 179 40 40 GLU HB3 H 1.79 0.01 2 180 40 40 GLU HG2 H 2.34 0.01 2 181 40 40 GLU HG3 H 2.28 0.01 2 182 41 41 VAL H H 9.15 0.01 1 183 41 41 VAL HA H 3.63 0.01 1 184 41 41 VAL HB H 2.08 0.01 1 185 41 41 VAL HG1 H 0.93 0.01 2 186 41 41 VAL HG2 H 0.93 0.01 2 187 41 41 VAL CA C 65.8 0.1 1 188 41 41 VAL N N 122.6 0.1 1 189 42 42 THR H H 7.29 0.01 1 190 42 42 THR HA H 3.87 0.01 1 191 42 42 THR HG2 H 1.21 0.01 1 192 42 42 THR N N 108.0 0.1 1 193 43 43 ASP H H 8.12 0.01 1 194 43 43 ASP HA H 4.44 0.01 1 195 43 43 ASP HB2 H 2.96 0.01 2 196 43 43 ASP HB3 H 2.59 0.01 2 197 43 43 ASP N N 123.0 0.1 1 198 44 44 LEU H H 7.35 0.01 1 199 44 44 LEU HA H 3.84 0.01 1 200 44 44 LEU HB2 H 1.65 0.01 2 201 44 44 LEU HD1 H 0.66 0.01 2 202 44 44 LEU HD2 H 0.07 0.01 2 203 44 44 LEU HG H 1.13 0.01 1 204 44 44 LEU CD2 C 23.2 0.1 1 205 45 45 ASN H H 7.43 0.01 1 206 45 45 ASN HA H 4.16 0.01 1 207 45 45 ASN HB2 H 2.77 0.01 2 208 45 45 ASN HB3 H 1.22 0.01 2 209 45 45 ASN HD21 H 7.64 0.01 2 210 45 45 ASN HD22 H 7.07 0.01 2 211 45 45 ASN N N 112.6 0.1 1 212 45 45 ASN ND2 N 113.2 0.1 1 213 46 46 ASP H H 7.37 0.01 1 214 46 46 ASP HA H 4.30 0.01 1 215 46 46 ASP HB2 H 2.31 0.01 2 216 46 46 ASP HB3 H 2.14 0.01 2 217 46 46 ASP N N 116.9 0.1 1 218 47 47 TYR H H 6.77 0.01 1 219 47 47 TYR HA H 4.67 0.01 1 220 47 47 TYR HB2 H 3.31 0.01 2 221 47 47 TYR HB3 H 2.54 0.01 2 222 47 47 TYR HD1 H 7.05 0.01 3 223 47 47 TYR HD2 H 7.05 0.01 3 224 47 47 TYR HE1 H 6.80 0.01 3 225 47 47 TYR HE2 H 6.80 0.01 3 226 47 47 TYR CE1 C 119.6 0.1 1 227 47 47 TYR N N 115.4 0.1 1 228 48 48 GLN H H 9.42 0.01 1 229 48 48 GLN HA H 4.14 0.01 1 230 48 48 GLN HB2 H 1.53 0.01 2 231 48 48 GLN HB3 H 1.53 0.01 2 232 48 48 GLN HE21 H 7.19 0.01 2 233 48 48 GLN HE22 H 6.81 0.01 2 234 48 48 GLN HG2 H 2.14 0.01 2 235 48 48 GLN HG3 H 2.14 0.01 2 236 48 48 GLN N N 121.3 0.1 1 237 48 48 GLN NE2 N 111.1 0.1 1 238 49 49 TYR H H 6.86 0.01 1 239 49 49 TYR HA H 5.21 0.01 1 240 49 49 TYR HB2 H 2.44 0.01 2 241 49 49 TYR HB3 H 2.44 0.01 2 242 49 49 TYR HD1 H 6.81 0.01 3 243 49 49 TYR HD2 H 6.81 0.01 3 244 49 49 TYR CA C 54.3 0.1 1 245 49 49 TYR N N 116.7 0.1 1 246 50 50 LEU H H 8.97 0.01 1 247 50 50 LEU HA H 5.55 0.01 1 248 50 50 LEU HB2 H 1.89 0.01 2 249 50 50 LEU HB3 H 1.32 0.01 2 250 50 50 LEU HD1 H 1.06 0.01 2 251 50 50 LEU HD2 H 0.91 0.01 2 252 50 50 LEU HG H 1.58 0.01 1 253 50 50 LEU CA C 52.8 0.1 1 254 50 50 LEU N N 123.3 0.1 1 255 51 51 ILE H H 8.98 0.01 1 256 51 51 ILE HA H 5.13 0.01 1 257 51 51 ILE HB H 1.58 0.01 1 258 51 51 ILE HD1 H 0.48 0.01 1 259 51 51 ILE HG12 H 1.44 0.01 2 260 51 51 ILE HG13 H 1.06 0.01 2 261 51 51 ILE HG2 H 0.76 0.01 1 262 51 51 ILE CG2 C 16.2 0.1 1 263 51 51 ILE N N 119.7 0.1 1 264 52 52 ILE H H 9.44 0.01 1 265 52 52 ILE HA H 5.14 0.01 1 266 52 52 ILE HB H 1.75 0.01 1 267 52 52 ILE HD1 H 0.67 0.01 1 268 52 52 ILE HG12 H 1.25 0.01 2 269 52 52 ILE HG13 H 1.04 0.01 2 270 52 52 ILE HG2 H 0.84 0.01 1 271 52 52 ILE N N 129.1 0.1 1 272 53 53 GLY H H 9.24 0.01 1 273 53 53 GLY N N 113.2 0.1 1 274 70 70 TYR HB2 H 3.12 0.01 2 275 71 71 SER H H 8.06 0.01 1 276 71 71 SER HA H 4.31 0.01 1 277 71 71 SER HB2 H 4.08 0.01 2 278 71 71 SER HB3 H 4.08 0.01 2 279 71 71 SER N N 113.1 0.1 1 280 72 72 GLU H H 7.81 0.01 1 281 72 72 GLU HA H 4.52 0.01 1 282 72 72 GLU HB2 H 2.30 0.01 2 283 72 72 GLU HB3 H 1.98 0.01 2 284 72 72 GLU HG2 H 2.41 0.01 2 285 72 72 GLU HG3 H 2.41 0.01 2 286 73 73 LEU H H 7.51 0.01 1 287 73 73 LEU HA H 4.03 0.01 1 288 73 73 LEU HB2 H 1.78 0.01 2 289 73 73 LEU HB3 H 1.44 0.01 2 290 73 73 LEU HD1 H 0.81 0.01 2 291 73 73 LEU HD2 H 0.81 0.01 2 292 74 74 ASP H H 7.88 0.01 1 293 74 74 ASP HA H 4.38 0.01 1 294 74 74 ASP HB2 H 2.60 0.01 2 295 74 74 ASP HB3 H 2.71 0.01 2 296 75 75 ASP H H 7.83 0.01 1 297 75 75 ASP HA H 4.76 0.01 1 298 75 75 ASP HB2 H 2.82 0.01 2 299 75 75 ASP HB3 H 2.62 0.01 2 300 75 75 ASP N N 115.9 0.1 1 301 76 76 VAL H H 7.58 0.01 1 302 76 76 VAL HA H 3.97 0.01 1 303 76 76 VAL HB H 1.84 0.01 1 304 76 76 VAL HG1 H 0.69 0.01 2 305 76 76 VAL HG2 H -0.07 0.01 2 306 76 76 VAL CG2 C 20.5 0.1 1 307 76 76 VAL N N 121.4 0.1 1 308 77 77 ASP H H 8.59 0.01 1 309 77 77 ASP HA H 4.88 0.01 1 310 77 77 ASP HB2 H 2.55 0.01 2 311 77 77 ASP HB3 H 2.86 0.01 2 312 78 78 PHE H H 8.42 0.01 1 313 78 78 PHE HB2 H 3.08 0.01 2 314 78 78 PHE HB3 H 2.57 0.01 2 315 78 78 PHE HD1 H 7.03 0.01 3 316 78 78 PHE HD2 H 7.03 0.01 3 317 78 78 PHE HE1 H 7.12 0.01 3 318 78 78 PHE HE2 H 7.12 0.01 3 319 78 78 PHE HZ H 6.92 0.01 1 320 78 78 PHE N N 123.4 0.1 1 321 79 79 ASN H H 8.59 0.01 1 322 79 79 ASN HA H 4.44 0.01 1 323 79 79 ASN HB2 H 3.08 0.01 2 324 79 79 ASN HB3 H 2.65 0.01 2 325 79 79 ASN HD21 H 8.46 0.01 2 326 79 79 ASN HD22 H 7.01 0.01 2 327 79 79 ASN N N 119.3 0.1 1 328 79 79 ASN ND2 N 116.3 0.1 1 329 80 80 GLY H H 8.53 0.01 1 330 80 80 GLY HA2 H 3.72 0.01 2 331 80 80 GLY HA3 H 4.28 0.01 2 332 80 80 GLY N N 113.6 0.1 1 333 81 81 LYS H H 8.13 0.01 1 334 81 81 LYS HA H 4.85 0.01 1 335 81 81 LYS HB2 H 1.99 0.01 2 336 81 81 LYS HB3 H 1.46 0.01 2 337 81 81 LYS HG2 H 1.30 0.01 2 338 81 81 LYS HG3 H 1.30 0.01 2 339 81 81 LYS N N 119.2 0.1 1 340 82 82 LEU H H 8.13 0.01 1 341 82 82 LEU HA H 5.59 0.01 1 342 82 82 LEU HB2 H 2.19 0.01 2 343 82 82 LEU HB3 H 1.81 0.01 2 344 82 82 LEU HD1 H 1.33 0.01 2 345 82 82 LEU HD2 H 1.13 0.01 2 346 82 82 LEU HG H 2.07 0.01 1 347 82 82 LEU CA C 53.9 0.1 1 348 82 82 LEU N N 124.1 0.1 1 349 83 83 VAL H H 8.92 0.01 1 350 83 83 VAL HA H 5.12 0.01 1 351 83 83 VAL HB H 1.86 0.01 1 352 83 83 VAL HG1 H 0.73 0.01 2 353 83 83 VAL HG2 H 0.48 0.01 2 354 83 83 VAL CG1 C 20.6 0.1 1 355 83 83 VAL CG2 C 21.0 0.1 1 356 83 83 VAL N N 122.9 0.1 1 357 84 84 ALA H H 8.84 0.01 1 358 84 84 ALA HA H 5.38 0.01 1 359 84 84 ALA HB H 1.44 0.01 1 360 84 84 ALA CA C 49.5 0.1 1 361 84 84 ALA N N 129.2 0.1 1 362 85 85 TYR H H 9.67 0.01 1 363 85 85 TYR HA H 5.79 0.01 1 364 85 85 TYR HB2 H 2.62 0.01 2 365 85 85 TYR HB3 H 2.67 0.01 2 366 86 86 PHE H H 9.03 0.01 1 367 86 86 PHE HA H 5.15 0.01 1 368 89 89 GLY H H 8.24 0.01 1 369 89 89 GLY HA2 H 4.55 0.01 2 370 89 89 GLY HA3 H 3.75 0.01 2 371 89 89 GLY N N 108.7 0.1 1 372 92 92 ILE H H 7.92 0.01 1 373 92 92 ILE HA H 4.12 0.01 1 374 92 92 ILE HB H 1.88 0.01 1 375 92 92 ILE HG12 H 1.19 0.01 2 376 92 92 ILE HG2 H 0.90 0.01 1 377 94 94 TYR HA H 4.81 0.01 1 378 95 95 ALA H H 7.95 0.01 1 379 95 95 ALA HA H 4.24 0.01 1 380 95 95 ALA HB H 1.36 0.01 1 381 95 95 ALA N N 122.9 0.1 1 382 102 102 ILE HB H 1.82 0.01 1 383 102 102 ILE HG12 H 1.68 0.01 2 384 102 102 ILE HG13 H 1.47 0.01 2 385 103 103 GLY H H 7.19 0.01 1 386 103 103 GLY HA2 H 3.36 0.01 2 387 103 103 GLY HA3 H 3.05 0.01 2 388 103 103 GLY N N 110.0 0.1 1 389 106 106 GLU H H 7.84 0.01 1 390 106 106 GLU HA H 3.85 0.01 1 391 106 106 GLU HB2 H 1.59 0.01 2 392 108 108 LYS HA H 4.04 0.01 1 393 109 109 ILE HA H 2.91 0.01 1 394 109 109 ILE HB H 1.79 0.01 1 395 109 109 ILE HD1 H 0.73 0.01 1 396 109 109 ILE HG2 H 0.14 0.01 1 397 109 109 ILE CG2 C 16.9 0.1 1 398 110 110 SER HA H 4.83 0.01 1 399 110 110 SER HB2 H 4.05 0.01 2 400 110 110 SER HB3 H 3.95 0.01 2 401 111 111 GLN H H 8.25 0.01 1 402 111 111 GLN HA H 4.16 0.01 1 403 111 111 GLN HB2 H 2.35 0.01 2 404 111 111 GLN HB3 H 2.24 0.01 2 405 111 111 GLN HE21 H 7.60 0.01 2 406 111 111 GLN HE22 H 6.84 0.01 2 407 111 111 GLN HG2 H 2.66 0.01 2 408 111 111 GLN HG3 H 2.51 0.01 2 409 111 111 GLN N N 123.8 0.1 1 410 111 111 GLN NE2 N 111.7 0.1 1 411 112 112 ARG H H 7.41 0.01 1 412 112 112 ARG HA H 4.45 0.01 1 413 112 112 ARG HB2 H 1.90 0.01 2 414 112 112 ARG HB3 H 1.90 0.01 2 415 112 112 ARG N N 116.8 0.1 1 416 113 113 GLY H H 7.73 0.01 1 417 113 113 GLY HA2 H 4.51 0.01 2 418 113 113 GLY HA3 H 3.72 0.01 2 419 113 113 GLY N N 106.5 0.1 1 420 114 114 GLY H H 8.43 0.01 1 421 114 114 GLY HA2 H 4.24 0.01 2 422 114 114 GLY HA3 H 3.08 0.01 2 423 114 114 GLY N N 110.2 0.1 1 424 115 115 LYS H H 8.12 0.01 1 425 115 115 LYS HA H 4.82 0.01 1 426 115 115 LYS HB2 H 2.07 0.01 2 427 115 115 LYS HB3 H 1.89 0.01 2 428 115 115 LYS HG2 H 1.57 0.01 2 429 115 115 LYS HG3 H 1.33 0.01 2 430 115 115 LYS N N 125.0 0.1 1 431 116 116 THR H H 8.80 0.01 1 432 116 116 THR HA H 5.39 0.01 1 433 116 116 THR HB H 4.15 0.01 1 434 116 116 THR HG2 H 1.23 0.01 1 435 116 116 THR CA C 62.8 0.1 1 436 116 116 THR N N 125.8 0.1 1 437 117 117 VAL H H 9.11 0.01 1 438 117 117 VAL HA H 4.66 0.01 1 439 117 117 VAL HB H 2.34 0.01 1 440 117 117 VAL HG1 H 1.04 0.01 2 441 117 117 VAL HG2 H 0.53 0.01 2 442 117 117 VAL CG2 C 19.4 0.1 1 443 117 117 VAL N N 121.3 0.1 1 444 123 123 ASP H H 8.17 0.01 1 445 123 123 ASP HA H 4.55 0.01 1 446 123 123 ASP HB2 H 2.63 0.01 2 447 123 123 ASP HB3 H 2.59 0.01 2 448 123 123 ASP N N 122.0 0.1 1 449 126 126 ASP H H 8.24 0.01 1 450 126 126 ASP HA H 4.56 0.01 1 451 126 126 ASP HB2 H 2.64 0.01 2 452 126 126 ASP HB3 H 2.49 0.01 2 453 126 126 ASP N N 122.5 0.1 1 454 127 127 PHE H H 8.06 0.01 1 455 127 127 PHE HA H 4.44 0.01 1 456 127 127 PHE HB2 H 3.12 0.01 2 457 127 127 PHE HB3 H 3.02 0.01 2 458 127 127 PHE HD1 H 7.23 0.01 3 459 127 127 PHE HD2 H 7.23 0.01 3 460 127 127 PHE HE1 H 7.32 0.01 3 461 127 127 PHE HE2 H 7.32 0.01 3 462 127 127 PHE N N 121.2 0.1 1 463 128 128 ASN HB2 H 2.79 0.01 2 464 128 128 ASN HB3 H 2.75 0.01 2 465 128 128 ASN HD21 H 7.69 0.01 2 466 128 128 ASN HD22 H 6.91 0.01 2 467 128 128 ASN ND2 N 113.6 0.1 1 468 141 141 LEU HA H 2.90 0.01 1 469 141 141 LEU CA C 57.1 0.1 1 470 144 144 ASP H H 8.45 0.01 1 471 144 144 ASP HA H 4.65 0.01 1 472 144 144 ASP HB2 H 2.78 0.01 2 473 144 144 ASP HB3 H 2.65 0.01 2 474 145 145 GLU H H 8.62 0.01 1 475 145 145 GLU HA H 4.20 0.01 1 476 145 145 GLU HB2 H 2.09 0.01 2 477 145 145 GLU HB3 H 1.96 0.01 2 478 145 145 GLU HG2 H 2.27 0.01 2 479 145 145 GLU HG3 H 2.27 0.01 2 480 145 145 GLU N N 121.5 0.1 1 481 146 146 ASP H H 8.09 0.01 1 482 146 146 ASP HA H 4.60 0.01 1 483 146 146 ASP HB2 H 2.76 0.01 2 484 146 146 ASP HB3 H 2.64 0.01 2 485 146 146 ASP N N 120.4 0.1 1 486 147 147 ASN H H 8.44 0.01 1 487 147 147 ASN HB2 H 2.78 0.01 2 488 147 147 ASN HB3 H 2.78 0.01 2 489 147 147 ASN HD21 H 7.77 0.01 2 490 147 147 ASN HD22 H 6.95 0.01 2 491 147 147 ASN N N 122.0 0.1 1 492 147 147 ASN ND2 N 113.5 0.1 1 493 149 149 SER H H 8.80 0.01 1 494 149 149 SER HA H 4.32 0.01 1 495 152 152 THR H H 8.20 0.01 1 496 152 152 THR HA H 4.23 0.01 1 497 152 152 THR HB H 4.09 0.01 1 498 152 152 THR HG2 H 1.19 0.01 1 499 153 153 ASP H H 8.38 0.01 1 500 153 153 ASP HA H 4.51 0.01 1 501 153 153 ASP HB2 H 2.75 0.01 2 502 153 153 ASP HB3 H 2.66 0.01 2 503 153 153 ASP N N 122.2 0.1 1 504 154 154 ASP H H 8.29 0.01 1 505 154 154 ASP HA H 4.52 0.01 1 506 154 154 ASP HB2 H 2.76 0.01 2 507 154 154 ASP HB3 H 2.76 0.01 2 508 154 154 ASP N N 120.8 0.1 1 509 155 155 ARG H H 8.37 0.01 1 510 155 155 ARG HA H 4.17 0.01 1 511 155 155 ARG HB2 H 1.96 0.01 2 512 155 155 ARG HB3 H 1.71 0.01 2 513 155 155 ARG HG2 H 1.57 0.01 2 514 155 155 ARG HG3 H 1.57 0.01 2 515 155 155 ARG N N 121.6 0.1 1 516 156 156 ILE H H 8.21 0.01 1 517 156 156 ILE HA H 3.55 0.01 1 518 156 156 ILE HB H 1.92 0.01 1 519 156 156 ILE HG2 H 0.73 0.01 1 520 156 156 ILE CG2 C 18.4 0.1 1 521 156 156 ILE N N 118.5 0.1 1 522 157 157 LYS H H 8.09 0.01 1 523 157 157 LYS HA H 3.61 0.01 1 524 157 157 LYS HB2 H 1.86 0.01 2 525 157 157 LYS HB3 H 1.79 0.01 2 526 157 157 LYS HD2 H 1.66 0.01 2 527 157 157 LYS HD3 H 1.66 0.01 2 528 157 157 LYS HG2 H 1.53 0.01 2 529 157 157 LYS HG3 H 1.53 0.01 2 530 157 157 LYS N N 118.8 0.1 1 531 158 158 SER H H 8.36 0.01 1 532 158 158 SER HA H 4.46 0.01 1 533 158 158 SER HB2 H 3.95 0.01 2 534 158 158 SER HB3 H 3.95 0.01 2 535 158 158 SER N N 116.5 0.1 1 536 159 159 TRP HE3 H 7.01 0.01 1 537 159 159 TRP HH2 H 6.91 0.01 1 538 159 159 TRP HZ2 H 7.62 0.01 1 539 159 159 TRP HZ3 H 6.55 0.01 1 540 160 160 VAL H H 8.61 0.01 1 541 160 160 VAL HA H 2.91 0.01 1 542 160 160 VAL HB H 1.87 0.01 1 543 160 160 VAL HG1 H 0.85 0.01 2 544 160 160 VAL HG2 H -0.22 0.01 2 545 160 160 VAL CA C 67.1 0.1 1 546 160 160 VAL CG2 C 19.6 0.1 1 547 161 161 ALA H H 7.57 0.01 1 548 161 161 ALA HA H 3.86 0.01 1 549 161 161 ALA HB H 1.47 0.01 1 550 161 161 ALA CA C 55.5 0.1 1 551 161 161 ALA CB C 17.5 0.1 1 552 161 161 ALA N N 120.7 0.1 1 553 162 162 GLN H H 7.69 0.01 1 554 162 162 GLN HA H 4.01 0.01 1 555 162 162 GLN HB2 H 2.22 0.01 2 556 162 162 GLN N N 120.4 0.1 1 557 163 163 LEU H H 8.54 0.01 1 558 163 163 LEU HA H 3.38 0.01 1 559 163 163 LEU HB2 H 1.59 0.01 2 560 163 163 LEU HB3 H 0.64 0.01 2 561 163 163 LEU HD1 H -0.12 0.01 2 562 163 163 LEU HD2 H -0.49 0.01 2 563 163 163 LEU HG H 0.59 0.01 1 564 163 163 LEU CA C 57.3 0.1 1 565 163 163 LEU CD1 C 21.9 0.1 1 566 163 163 LEU CD2 C 24.0 0.1 1 567 164 164 LYS H H 8.73 0.01 1 568 164 164 LYS HA H 3.84 0.01 1 569 164 164 LYS HB2 H 1.93 0.01 2 570 164 164 LYS HB3 H 1.83 0.01 2 571 164 164 LYS HD2 H 1.62 0.01 2 572 164 164 LYS HD3 H 1.62 0.01 2 573 164 164 LYS HG2 H 1.52 0.01 2 574 164 164 LYS HG3 H 1.28 0.01 2 575 164 164 LYS N N 118.7 0.1 1 576 165 165 SER H H 7.13 0.01 1 577 165 165 SER HA H 4.38 0.01 1 578 165 165 SER HB2 H 4.10 0.01 2 579 165 165 SER HB3 H 4.03 0.01 2 580 165 165 SER N N 111.8 0.1 1 581 166 166 GLU H H 8.54 0.01 1 582 166 166 GLU HG2 H 2.26 0.01 2 583 166 166 GLU HG3 H 2.55 0.01 2 584 167 167 PHE H H 9.23 0.01 1 585 167 167 PHE HA H 4.72 0.01 1 586 167 167 PHE HB2 H 2.55 0.01 2 587 167 167 PHE HB3 H 2.83 0.01 2 588 167 167 PHE HD1 H 7.01 0.01 3 589 167 167 PHE HD2 H 7.01 0.01 3 590 167 167 PHE HE1 H 6.93 0.01 3 591 167 167 PHE HE2 H 6.93 0.01 3 592 168 168 GLY H H 7.54 0.01 1 593 168 168 GLY HA2 H 3.94 0.01 2 594 168 168 GLY HA3 H 3.94 0.01 2 595 168 168 GLY N N 107.4 0.1 1 596 169 169 LEU H H 8.00 0.01 1 597 169 169 LEU HA H 4.18 0.01 1 598 169 169 LEU HB2 H 1.75 0.01 2 599 169 169 LEU HB3 H 1.59 0.01 2 600 169 169 LEU HD1 H 0.85 0.01 2 601 169 169 LEU HD2 H 0.70 0.01 2 602 169 169 LEU HG H 1.53 0.01 1 603 169 169 LEU N N 125.8 0.1 1 stop_ save_