data_6902 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete 1H and 15N assignment of the FK506-binding domain of human FKBP38 ; _BMRB_accession_number 6902 _BMRB_flat_file_name bmr6902.str _Entry_type original _Submission_date 2005-11-16 _Accession_date 2005-11-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'The data from this entry were used to determine the solution structure of hFKBP38D' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Maestre-Martinez Mitcheell . . 2 Edlich Frank . . 3 Jarczowski Franziska . . 4 Weiwad Matthias . . 5 Fischer Gunter . . 6 Luecke Christian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 704 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-06-18 update author 'correct system name to hFKBP38D' 2006-05-03 update author 'add author sequence code in chemical shift table' 2006-04-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Structure Note: Solution structure of the FK506-binding domain of human FKBP38' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16604427 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Maestre-Martinez Mitcheell . . 2 Edlich Frank . . 3 Jarczowski Franziska . . 4 Weiwad Matthias . . 5 Fischer Gunter . . 6 Luecke Christian . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 34 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 197 _Page_last 202 _Year 2006 _Details . loop_ _Keyword immunophilin PPIase stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name hFKBP38D _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hFKBP38D $hFKBP38D stop_ _System_molecular_weight 13056 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details 'FK506-binding domain of human FKBP38' save_ ######################## # Monomeric polymers # ######################## save_hFKBP38D _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hFKBP38D _Molecular_mass 13056 _Mol_thiol_state 'all free' loop_ _Biological_function immunosuppresion 'prolyl isomerization' stop_ _Details 'The N-terminal residues Met1 and Arg2 are artifacts of recombinant expression' ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; MREWLDILGNGLLRKKTLVP GPPGSSRPVKGQVVTVHLQT SLENGTRVQEEPELVFTLGD CDVIQALDLSVPLMDVGETA MVTADSKYCYGPQGRSPYIP PHAALCLEVTLKTAVDGPDL E ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 33 MET 2 34 ARG 3 35 GLU 4 36 TRP 5 37 LEU 6 38 ASP 7 39 ILE 8 40 LEU 9 41 GLY 10 42 ASN 11 43 GLY 12 44 LEU 13 45 LEU 14 46 ARG 15 47 LYS 16 48 LYS 17 49 THR 18 50 LEU 19 51 VAL 20 52 PRO 21 53 GLY 22 54 PRO 23 55 PRO 24 56 GLY 25 57 SER 26 58 SER 27 59 ARG 28 60 PRO 29 61 VAL 30 62 LYS 31 63 GLY 32 64 GLN 33 65 VAL 34 66 VAL 35 67 THR 36 68 VAL 37 69 HIS 38 70 LEU 39 71 GLN 40 72 THR 41 73 SER 42 74 LEU 43 75 GLU 44 76 ASN 45 77 GLY 46 78 THR 47 79 ARG 48 80 VAL 49 81 GLN 50 82 GLU 51 83 GLU 52 84 PRO 53 85 GLU 54 86 LEU 55 87 VAL 56 88 PHE 57 89 THR 58 90 LEU 59 91 GLY 60 92 ASP 61 93 CYS 62 94 ASP 63 95 VAL 64 96 ILE 65 97 GLN 66 98 ALA 67 99 LEU 68 100 ASP 69 101 LEU 70 102 SER 71 103 VAL 72 104 PRO 73 105 LEU 74 106 MET 75 107 ASP 76 108 VAL 77 109 GLY 78 110 GLU 79 111 THR 80 112 ALA 81 113 MET 82 114 VAL 83 115 THR 84 116 ALA 85 117 ASP 86 118 SER 87 119 LYS 88 120 TYR 89 121 CYS 90 122 TYR 91 123 GLY 92 124 PRO 93 125 GLN 94 126 GLY 95 127 ARG 96 128 SER 97 129 PRO 98 130 TYR 99 131 ILE 100 132 PRO 101 133 PRO 102 134 HIS 103 135 ALA 104 136 ALA 105 137 LEU 106 138 CYS 107 139 LEU 108 140 GLU 109 141 VAL 110 142 THR 111 143 LEU 112 144 LYS 113 145 THR 114 146 ALA 115 147 VAL 116 148 ASP 117 149 GLY 118 150 PRO 119 151 ASP 120 152 LEU 121 153 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 6923 FKBP38 95.87 157 98.28 98.28 6.73e-74 PDB 2AWG "Structure Of The Ppiase Domain Of The Human Fk506-Binding Protein 8" 95.04 118 99.13 99.13 1.55e-75 PDB 2D9F "Solution Structure Of Ruh-047, An Fkbp Domain From Human Cdna" 100.00 135 97.52 97.52 1.06e-76 PDB 2F2D "Solution Structure Of The Fk506-Binding Domain Of Human Fkbp38" 100.00 121 100.00 100.00 3.49e-81 PDB 2MF9 "Solution Structure Of The N-terminal Domain Of Human Fkbp38 (fkbp38ntd)" 95.87 157 98.28 98.28 6.73e-74 PDB 3EY6 "Crystal Structure Of The Fk506-Binding Domain Of Human Fkbp38" 100.00 121 100.00 100.00 3.49e-81 DBJ BAD96558 "FK506-binding protein 8 variant [Homo sapiens]" 99.17 372 98.33 98.33 2.70e-75 DBJ BAG36163 "unnamed protein product [Homo sapiens]" 99.17 356 99.17 99.17 8.64e-77 DBJ BAG72557 "FK506 binding protein 8 [synthetic construct]" 99.17 413 99.17 99.17 8.89e-76 DBJ BAH13306 "unnamed protein product [Homo sapiens]" 98.35 441 100.00 100.00 4.57e-77 EMBL CAD98028 "hypothetical protein [Homo sapiens]" 99.17 451 97.50 97.50 2.19e-73 EMBL CAL37783 "hypothetical protein [synthetic construct]" 99.17 413 99.17 99.17 9.68e-76 GB AAB00102 "FK-506 binding protein homologue [Homo sapiens]" 98.35 355 100.00 100.00 1.81e-78 GB AAC28753 "FK-506 binding protein homologue [Homo sapiens]" 98.35 355 100.00 100.00 1.81e-78 GB AAH09966 "FKBP8 protein [Homo sapiens]" 98.35 355 100.00 100.00 1.81e-78 GB AAI22595 "FKBP8 protein [Bos taurus]" 98.35 382 97.48 98.32 1.53e-75 GB AAO39020 "FK506-binding protein 38 [Homo sapiens]" 98.35 412 100.00 100.00 1.54e-77 REF NP_001247999 "peptidyl-prolyl cis-trans isomerase FKBP8 [Macaca mulatta]" 99.17 413 99.17 99.17 1.14e-75 REF NP_001272500 "FK506 binding protein 8, 38kDa [Capra hircus]" 98.35 411 97.48 97.48 1.16e-74 REF NP_036313 "peptidyl-prolyl cis-trans isomerase FKBP8 [Homo sapiens]" 99.17 413 99.17 99.17 8.89e-76 REF XP_002761955 "PREDICTED: peptidyl-prolyl cis-trans isomerase FKBP8 [Callithrix jacchus]" 100.00 413 97.52 97.52 8.24e-75 REF XP_002828980 "PREDICTED: peptidyl-prolyl cis-trans isomerase FKBP8 isoform X3 [Pongo abelii]" 98.35 441 100.00 100.00 4.77e-77 SP Q14318 "RecName: Full=Peptidyl-prolyl cis-trans isomerase FKBP8; Short=PPIase FKBP8; AltName: Full=38 kDa FK506-binding protein; Short=" 98.35 412 100.00 100.00 1.54e-77 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hFKBP38D 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_type _Vector_name $hFKBP38D 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pET28a 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 $hFKBP38D 1.3 mM . 'sodium phosphate' 20 mM . 'sodium azide' 0.05 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hFKBP38D 1.3 mM [U-15N] 'sodium phosphate' 20 mM . 'sodium azide' 0.05 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name AURELIA _Version 2.5.9 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task analysis stop_ _Details . save_ save_software_3 _Saveframe_category software _Name FELIX _Version 2000 loop_ _Vendor _Address _Electronic_address Accelrys . . stop_ loop_ _Task analysis stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_700MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H1H_TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name 1H1H_TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_1H1H_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name 1H1H_NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_1H15N_HTQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HTQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_1H15N_TOCSY_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_TOCSY_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_1H15N_NOESY_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_NOESY_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.7 0.1 pH temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name hFKBP38D _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 33 1 MET HA H 3.93 0.01 9 2 33 1 MET HB2 H 2.11 0.01 9 3 33 1 MET HB3 H 2.06 0.01 9 4 33 1 MET HG2 H 2.60 0.01 9 5 33 1 MET HG3 H 2.60 0.01 9 6 33 1 MET HE H 2.10 0.01 9 7 34 2 ARG HA H 4.37 0.01 9 8 34 2 ARG HB2 H 1.90 0.01 9 9 34 2 ARG HB3 H 1.77 0.01 9 10 34 2 ARG HG2 H 1.68 0.01 9 11 34 2 ARG HG3 H 1.63 0.01 9 12 34 2 ARG HD2 H 3.22 0.01 9 13 34 2 ARG HD3 H 3.20 0.01 9 14 35 3 GLU H H 8.60 0.01 1 15 35 3 GLU HA H 4.25 0.01 1 16 35 3 GLU HB2 H 1.95 0.01 1 17 35 3 GLU HB3 H 2.06 0.01 1 18 35 3 GLU HG2 H 2.26 0.01 2 19 35 3 GLU HG3 H 2.09 0.01 2 20 35 3 GLU N N 121.3 0.1 9 21 36 4 TRP H H 8.29 0.01 1 22 36 4 TRP HA H 4.63 0.01 1 23 36 4 TRP HB2 H 3.09 0.01 1 24 36 4 TRP HB3 H 2.87 0.01 1 25 36 4 TRP HD1 H 7.33 0.01 1 26 36 4 TRP HE1 H 10.15 0.01 1 27 36 4 TRP HE3 H 7.22 0.01 1 28 36 4 TRP HZ2 H 7.45 0.01 1 29 36 4 TRP HZ3 H 7.00 0.01 1 30 36 4 TRP HH2 H 7.00 0.01 1 31 36 4 TRP N N 119.2 0.1 1 32 36 4 TRP NE1 N 129.5 0.1 1 33 37 5 LEU H H 9.62 0.01 1 34 37 5 LEU HA H 4.60 0.01 1 35 37 5 LEU HB2 H 1.71 0.01 1 36 37 5 LEU HB3 H 1.94 0.01 1 37 37 5 LEU HG H 1.48 0.01 1 38 37 5 LEU HD1 H 0.99 0.01 2 39 37 5 LEU HD2 H 0.95 0.01 2 40 37 5 LEU N N 126.3 0.1 1 41 38 6 ASP H H 9.00 0.01 1 42 38 6 ASP HA H 4.78 0.01 1 43 38 6 ASP HB2 H 3.12 0.01 2 44 38 6 ASP HB3 H 2.57 0.01 2 45 38 6 ASP N N 127.5 0.1 1 46 39 7 ILE H H 8.33 0.01 1 47 39 7 ILE HA H 3.47 0.01 1 48 39 7 ILE HB H 1.60 0.01 1 49 39 7 ILE HG12 H 1.79 0.01 1 50 39 7 ILE HG13 H 1.79 0.01 1 51 39 7 ILE HG2 H 0.77 0.01 1 52 39 7 ILE HD1 H 0.73 0.01 1 53 39 7 ILE N N 124.9 0.1 1 54 40 8 LEU H H 8.62 0.01 1 55 40 8 LEU HA H 4.60 0.01 1 56 40 8 LEU HB2 H 1.80 0.01 2 57 40 8 LEU HB3 H 1.60 0.01 2 58 40 8 LEU HG H 1.35 0.01 1 59 40 8 LEU HD1 H 0.81 0.01 1 60 40 8 LEU HD2 H 0.58 0.01 1 61 40 8 LEU N N 114.9 0.1 1 62 41 9 GLY H H 7.58 0.01 1 63 41 9 GLY HA2 H 4.12 0.01 2 64 41 9 GLY HA3 H 3.60 0.01 2 65 41 9 GLY N N 108.2 0.1 1 66 42 10 ASN H H 7.07 0.01 1 67 42 10 ASN HA H 4.86 0.01 1 68 42 10 ASN HB2 H 2.77 0.01 1 69 42 10 ASN HB3 H 3.29 0.01 1 70 42 10 ASN HD21 H 6.51 0.01 1 71 42 10 ASN HD22 H 7.89 0.01 1 72 42 10 ASN N N 114.1 0.1 1 73 42 10 ASN ND2 N 110.6 0.1 1 74 43 11 GLY H H 9.84 0.01 1 75 43 11 GLY HA2 H 4.05 0.01 1 76 43 11 GLY HA3 H 3.47 0.01 1 77 43 11 GLY N N 111.3 0.1 1 78 44 12 LEU H H 7.68 0.01 1 79 44 12 LEU HA H 4.37 0.01 1 80 44 12 LEU HB2 H 1.69 0.01 1 81 44 12 LEU HB3 H 1.95 0.01 1 82 44 12 LEU HG H 1.57 0.01 1 83 44 12 LEU HD1 H 0.94 0.01 1 84 44 12 LEU HD2 H 0.83 0.01 1 85 44 12 LEU N N 117.7 0.1 1 86 45 13 LEU H H 8.33 0.01 1 87 45 13 LEU HA H 5.22 0.01 1 88 45 13 LEU HB2 H 1.68 0.01 1 89 45 13 LEU HB3 H 1.68 0.01 1 90 45 13 LEU HG H 1.27 0.01 1 91 45 13 LEU HD1 H 0.79 0.01 1 92 45 13 LEU HD2 H 0.50 0.01 1 93 45 13 LEU N N 123.9 0.1 1 94 46 14 ARG H H 8.86 0.01 1 95 46 14 ARG HA H 5.90 0.01 1 96 46 14 ARG HB2 H 1.78 0.01 1 97 46 14 ARG HB3 H 1.78 0.01 1 98 46 14 ARG HG2 H 1.32 0.01 1 99 46 14 ARG HG3 H 1.32 0.01 1 100 46 14 ARG HD2 H 2.74 0.01 1 101 46 14 ARG HD3 H 2.74 0.01 1 102 46 14 ARG HE H 6.40 0.01 1 103 46 14 ARG N N 125.5 0.1 1 104 46 14 ARG NE N 82.6 0.1 1 105 47 15 LYS H H 9.04 0.01 1 106 47 15 LYS HA H 5.95 0.01 1 107 47 15 LYS HB2 H 1.79 0.01 2 108 47 15 LYS HB3 H 1.75 0.01 2 109 47 15 LYS HG2 H 1.36 0.01 1 110 47 15 LYS HG3 H 1.36 0.01 1 111 47 15 LYS HD2 H 1.44 0.01 1 112 47 15 LYS HD3 H 1.49 0.01 1 113 47 15 LYS HE2 H 2.61 0.01 2 114 47 15 LYS HE3 H 2.55 0.01 2 115 47 15 LYS N N 120.8 0.1 1 116 48 16 LYS H H 9.58 0.01 1 117 48 16 LYS HA H 4.62 0.01 1 118 48 16 LYS HB2 H 0.60 0.01 1 119 48 16 LYS HB3 H 0.57 0.01 1 120 48 16 LYS HG2 H 0.10 0.01 1 121 48 16 LYS HG3 H 0.10 0.01 1 122 48 16 LYS HD2 H 0.64 0.01 1 123 48 16 LYS HD3 H 0.72 0.01 1 124 48 16 LYS HE2 H 2.17 0.01 1 125 48 16 LYS HE3 H 2.37 0.01 1 126 48 16 LYS N N 129.9 0.1 1 127 49 17 THR H H 9.13 0.01 1 128 49 17 THR HA H 3.93 0.01 1 129 49 17 THR HB H 3.80 0.01 1 130 49 17 THR HG2 H 1.02 0.01 1 131 49 17 THR N N 125.9 0.1 1 132 50 18 LEU H H 9.14 0.01 1 133 50 18 LEU HA H 4.43 0.01 1 134 50 18 LEU HB2 H 1.45 0.01 1 135 50 18 LEU HB3 H 1.45 0.01 1 136 50 18 LEU HG H 1.57 0.01 1 137 50 18 LEU HD1 H 0.82 0.01 1 138 50 18 LEU HD2 H 0.72 0.01 1 139 50 18 LEU N N 128.1 0.1 1 140 51 19 VAL H H 8.17 0.01 1 141 51 19 VAL HA H 4.49 0.01 1 142 51 19 VAL HB H 2.07 0.01 1 143 51 19 VAL HG1 H 1.05 0.01 1 144 51 19 VAL HG2 H 0.89 0.01 1 145 51 19 VAL N N 120.0 0.1 1 146 52 20 PRO HA H 4.37 0.01 1 147 52 20 PRO HB2 H 2.30 0.01 1 148 52 20 PRO HB3 H 2.30 0.01 1 149 52 20 PRO HG2 H 2.02 0.01 1 150 52 20 PRO HG3 H 1.91 0.01 1 151 52 20 PRO HD2 H 3.57 0.01 1 152 52 20 PRO HD3 H 3.78 0.01 1 153 53 21 GLY H H 9.22 0.01 1 154 53 21 GLY HA2 H 3.43 0.01 1 155 53 21 GLY HA3 H 4.01 0.01 1 156 53 21 GLY N N 107.2 0.1 1 157 54 22 PRO HA H 4.71 0.01 1 158 54 22 PRO HB2 H 2.34 0.01 1 159 54 22 PRO HB3 H 2.34 0.01 1 160 54 22 PRO HG2 H 2.10 0.01 2 161 54 22 PRO HG3 H 1.97 0.01 2 162 54 22 PRO HD2 H 3.74 0.01 1 163 54 22 PRO HD3 H 3.74 0.01 1 164 55 23 PRO HA H 4.37 0.01 1 165 55 23 PRO HB2 H 2.30 0.01 2 166 55 23 PRO HB3 H 1.87 0.01 2 167 55 23 PRO HG2 H 2.12 0.01 2 168 55 23 PRO HG3 H 2.01 0.01 2 169 55 23 PRO HD2 H 3.58 0.01 1 170 55 23 PRO HD3 H 3.85 0.01 1 171 56 24 GLY H H 8.88 0.01 1 172 56 24 GLY HA2 H 4.17 0.01 2 173 56 24 GLY HA3 H 3.73 0.01 2 174 56 24 GLY N N 112.5 0.1 1 175 57 25 SER H H 7.83 0.01 1 176 57 25 SER HA H 4.34 0.01 1 177 57 25 SER HB2 H 4.05 0.01 2 178 57 25 SER HB3 H 3.95 0.01 2 179 57 25 SER HG H 6.01 0.01 1 180 57 25 SER N N 115.9 0.1 1 181 58 26 SER H H 8.26 0.01 1 182 58 26 SER HA H 4.77 0.01 1 183 58 26 SER HB2 H 3.79 0.01 1 184 58 26 SER HB3 H 3.87 0.01 1 185 58 26 SER N N 116.2 0.1 1 186 59 27 ARG H H 8.06 0.01 1 187 59 27 ARG HA H 5.21 0.01 1 188 59 27 ARG HB2 H 1.52 0.01 1 189 59 27 ARG HB3 H 1.91 0.01 1 190 59 27 ARG HG2 H 1.54 0.01 1 191 59 27 ARG HG3 H 1.76 0.01 1 192 59 27 ARG HD2 H 3.06 0.01 1 193 59 27 ARG HD3 H 3.18 0.01 1 194 59 27 ARG HE H 7.07 0.01 1 195 59 27 ARG N N 120.8 0.1 1 196 59 27 ARG NE N 86.3 0.1 1 197 60 28 PRO HA H 4.67 0.01 1 198 60 28 PRO HB2 H 1.63 0.01 1 199 60 28 PRO HB3 H 1.63 0.01 1 200 60 28 PRO HG2 H 1.69 0.01 1 201 60 28 PRO HG3 H 1.69 0.01 1 202 60 28 PRO HD2 H 4.03 0.01 1 203 60 28 PRO HD3 H 3.70 0.01 1 204 61 29 VAL H H 8.02 0.01 1 205 61 29 VAL HA H 4.45 0.01 1 206 61 29 VAL HB H 2.03 0.01 1 207 61 29 VAL HG1 H 0.91 0.01 1 208 61 29 VAL HG2 H 0.76 0.01 1 209 61 29 VAL N N 113.6 0.1 1 210 62 30 LYS H H 8.27 0.01 1 211 62 30 LYS HA H 3.61 0.01 1 212 62 30 LYS HB2 H 1.82 0.01 1 213 62 30 LYS HB3 H 1.68 0.01 1 214 62 30 LYS HG2 H 1.33 0.01 1 215 62 30 LYS HG3 H 1.50 0.01 1 216 62 30 LYS HD2 H 1.75 0.01 2 217 62 30 LYS HD3 H 1.69 0.01 2 218 62 30 LYS HE2 H 3.03 0.01 1 219 62 30 LYS HE3 H 3.03 0.01 1 220 62 30 LYS N N 122.0 0.1 1 221 63 31 GLY H H 8.71 0.01 1 222 63 31 GLY HA2 H 4.44 0.01 1 223 63 31 GLY HA3 H 3.49 0.01 1 224 63 31 GLY N N 114.1 0.1 1 225 64 32 GLN H H 8.16 0.01 1 226 64 32 GLN HA H 4.48 0.01 1 227 64 32 GLN HB2 H 2.26 0.01 2 228 64 32 GLN HB3 H 2.24 0.01 2 229 64 32 GLN HG2 H 2.50 0.01 1 230 64 32 GLN HG3 H 2.50 0.01 1 231 64 32 GLN HE21 H 7.28 0.01 1 232 64 32 GLN HE22 H 6.32 0.01 1 233 64 32 GLN N N 117.9 0.1 1 234 64 32 GLN NE2 N 110.1 0.1 1 235 65 33 VAL H H 8.89 0.01 1 236 65 33 VAL HA H 4.25 0.01 1 237 65 33 VAL HB H 1.79 0.01 1 238 65 33 VAL HG1 H 0.63 0.01 1 239 65 33 VAL HG2 H 0.91 0.01 1 240 65 33 VAL N N 121.9 0.1 1 241 66 34 VAL H H 9.22 0.01 1 242 66 34 VAL HA H 5.06 0.01 1 243 66 34 VAL HB H 1.69 0.01 1 244 66 34 VAL HG1 H 0.67 0.01 1 245 66 34 VAL HG2 H 0.02 0.01 1 246 66 34 VAL N N 125.0 0.1 1 247 67 35 THR H H 7.86 0.01 1 248 67 35 THR HA H 5.29 0.01 1 249 67 35 THR HB H 4.00 0.01 1 250 67 35 THR HG2 H 1.06 0.01 1 251 67 35 THR N N 115.1 0.1 1 252 68 36 VAL H H 9.58 0.01 1 253 68 36 VAL HA H 5.57 0.01 1 254 68 36 VAL HB H 2.19 0.01 1 255 68 36 VAL HG1 H 0.94 0.01 1 256 68 36 VAL HG2 H 1.07 0.01 1 257 68 36 VAL N N 119.9 0.1 1 258 69 37 HIS H H 8.79 0.01 1 259 69 37 HIS HA H 5.34 0.01 1 260 69 37 HIS HB2 H 3.16 0.01 1 261 69 37 HIS HB3 H 3.08 0.01 1 262 69 37 HIS HD2 H 7.01 0.01 1 263 69 37 HIS HE1 H 7.92 0.01 1 264 69 37 HIS N N 121.8 0.1 1 265 70 38 LEU H H 9.00 0.01 1 266 70 38 LEU HA H 5.37 0.01 1 267 70 38 LEU HB2 H 1.21 0.01 1 268 70 38 LEU HB3 H 1.87 0.01 1 269 70 38 LEU HG H 1.47 0.01 1 270 70 38 LEU HD1 H 0.93 0.01 1 271 70 38 LEU HD2 H 0.83 0.01 1 272 70 38 LEU N N 129.4 0.1 1 273 71 39 GLN H H 9.01 0.01 1 274 71 39 GLN HA H 4.92 0.01 1 275 71 39 GLN HB2 H 2.13 0.01 2 276 71 39 GLN HB3 H 2.09 0.01 2 277 71 39 GLN HG2 H 2.21 0.01 1 278 71 39 GLN HG3 H 2.32 0.01 1 279 71 39 GLN HE21 H 7.55 0.01 1 280 71 39 GLN HE22 H 6.73 0.01 1 281 71 39 GLN N N 126.3 0.1 1 282 71 39 GLN NE2 N 111.5 0.1 1 283 72 40 THR H H 9.20 0.01 1 284 72 40 THR HA H 4.84 0.01 1 285 72 40 THR HB H 3.96 0.01 1 286 72 40 THR HG2 H 1.18 0.01 1 287 72 40 THR N N 124.1 0.1 1 288 73 41 SER H H 9.20 0.01 1 289 73 41 SER HA H 5.57 0.01 1 290 73 41 SER HB2 H 3.69 0.01 1 291 73 41 SER HB3 H 3.69 0.01 1 292 73 41 SER HG H 6.02 0.01 1 293 73 41 SER N N 122.8 0.1 1 294 74 42 LEU H H 8.55 0.01 1 295 74 42 LEU HA H 4.74 0.01 1 296 74 42 LEU HB2 H 1.98 0.01 2 297 74 42 LEU HB3 H 1.95 0.01 2 298 74 42 LEU HG H 1.79 0.01 1 299 74 42 LEU HD1 H 0.95 0.01 1 300 74 42 LEU HD2 H 1.05 0.01 1 301 74 42 LEU N N 119.7 0.1 1 302 75 43 GLU H H 8.78 0.01 1 303 75 43 GLU HA H 3.96 0.01 1 304 75 43 GLU HB2 H 2.06 0.01 2 305 75 43 GLU HB3 H 2.01 0.01 2 306 75 43 GLU HG2 H 2.21 0.01 1 307 75 43 GLU HG3 H 2.28 0.01 1 308 75 43 GLU N N 121.9 0.1 1 309 76 44 ASN H H 7.80 0.01 1 310 76 44 ASN HA H 4.55 0.01 1 311 76 44 ASN HB2 H 3.31 0.01 2 312 76 44 ASN HB3 H 2.87 0.01 2 313 76 44 ASN HD21 H 6.89 0.01 1 314 76 44 ASN HD22 H 7.66 0.01 1 315 76 44 ASN N N 113.5 0.1 1 316 76 44 ASN ND2 N 110.7 0.1 1 317 77 45 GLY H H 8.24 0.01 1 318 77 45 GLY HA2 H 4.39 0.01 2 319 77 45 GLY HA3 H 3.77 0.01 2 320 77 45 GLY N N 108.2 0.1 1 321 78 46 THR H H 7.81 0.01 1 322 78 46 THR HA H 4.05 0.01 1 323 78 46 THR HB H 4.05 0.01 1 324 78 46 THR HG2 H 1.19 0.01 1 325 78 46 THR N N 118.0 0.1 1 326 79 47 ARG H H 8.89 0.01 1 327 79 47 ARG HA H 4.54 0.01 1 328 79 47 ARG HB2 H 1.82 0.01 1 329 79 47 ARG HB3 H 1.82 0.01 1 330 79 47 ARG HG2 H 1.61 0.01 1 331 79 47 ARG HG3 H 1.67 0.01 1 332 79 47 ARG HD2 H 3.20 0.01 1 333 79 47 ARG HD3 H 3.20 0.01 1 334 79 47 ARG HE H 7.17 0.01 1 335 79 47 ARG N N 129.9 0.1 1 336 79 47 ARG NE N 83.8 0.1 1 337 80 48 VAL H H 8.76 0.01 1 338 80 48 VAL HA H 4.34 0.01 1 339 80 48 VAL HB H 2.09 0.01 1 340 80 48 VAL HG1 H 0.92 0.01 1 341 80 48 VAL HG2 H 0.76 0.01 1 342 80 48 VAL N N 119.8 0.1 1 343 81 49 GLN H H 7.64 0.01 1 344 81 49 GLN HA H 4.45 0.01 1 345 81 49 GLN HB2 H 1.90 0.01 1 346 81 49 GLN HB3 H 1.90 0.01 1 347 81 49 GLN HG2 H 2.21 0.01 1 348 81 49 GLN HG3 H 2.21 0.01 1 349 81 49 GLN HE21 H 7.52 0.01 1 350 81 49 GLN HE22 H 6.54 0.01 1 351 81 49 GLN N N 120.8 0.1 1 352 81 49 GLN NE2 N 110.7 0.1 1 353 82 50 GLU H H 8.49 0.01 1 354 82 50 GLU HA H 4.87 0.01 1 355 82 50 GLU HB2 H 2.02 0.01 2 356 82 50 GLU HB3 H 1.92 0.01 2 357 82 50 GLU HG2 H 2.24 0.01 1 358 82 50 GLU HG3 H 2.24 0.01 1 359 82 50 GLU N N 124.8 0.1 1 360 83 51 GLU H H 8.93 0.01 1 361 83 51 GLU HA H 4.88 0.01 1 362 83 51 GLU HB2 H 1.98 0.01 1 363 83 51 GLU HB3 H 2.12 0.01 1 364 83 51 GLU HG2 H 2.22 0.01 1 365 83 51 GLU HG3 H 2.22 0.01 1 366 83 51 GLU N N 125.4 0.1 1 367 84 52 PRO HA H 4.06 0.01 1 368 84 52 PRO HB2 H 2.13 0.01 1 369 84 52 PRO HB3 H 2.13 0.01 1 370 84 52 PRO HG2 H 2.00 0.01 2 371 84 52 PRO HG3 H 1.89 0.01 2 372 84 52 PRO HD2 H 3.91 0.01 1 373 84 52 PRO HD3 H 3.60 0.01 1 374 85 53 GLU H H 8.18 0.01 1 375 85 53 GLU HA H 4.53 0.01 1 376 85 53 GLU HB2 H 1.97 0.01 1 377 85 53 GLU HB3 H 1.77 0.01 1 378 85 53 GLU HG2 H 2.06 0.01 1 379 85 53 GLU HG3 H 2.06 0.01 1 380 85 53 GLU N N 118.4 0.1 1 381 86 54 LEU H H 8.81 0.01 1 382 86 54 LEU HA H 4.65 0.01 1 383 86 54 LEU HB2 H 1.38 0.01 1 384 86 54 LEU HB3 H 1.94 0.01 1 385 86 54 LEU HG H 1.60 0.01 1 386 86 54 LEU HD1 H 0.94 0.01 1 387 86 54 LEU HD2 H 0.78 0.01 1 388 86 54 LEU N N 128.1 0.1 1 389 87 55 VAL H H 8.38 0.01 1 390 87 55 VAL HA H 5.37 0.01 1 391 87 55 VAL HB H 1.89 0.01 1 392 87 55 VAL HG1 H 0.76 0.01 1 393 87 55 VAL HG2 H 0.97 0.01 1 394 87 55 VAL N N 128.0 0.1 1 395 88 56 PHE H H 8.92 0.01 1 396 88 56 PHE HA H 4.99 0.01 1 397 88 56 PHE HB2 H 3.14 0.01 1 398 88 56 PHE HB3 H 3.14 0.01 1 399 88 56 PHE HD1 H 6.95 0.01 1 400 88 56 PHE HD2 H 6.95 0.01 1 401 88 56 PHE HE1 H 7.15 0.01 1 402 88 56 PHE HE2 H 7.15 0.01 1 403 88 56 PHE HZ H 6.83 0.01 1 404 88 56 PHE N N 123.2 0.1 1 405 89 57 THR H H 9.15 0.01 1 406 89 57 THR HA H 4.66 0.01 1 407 89 57 THR HB H 4.15 0.01 1 408 89 57 THR HG2 H 1.00 0.01 1 409 89 57 THR N N 118.0 0.1 1 410 90 58 LEU H H 9.02 0.01 1 411 90 58 LEU HA H 4.36 0.01 1 412 90 58 LEU HB2 H 1.44 0.01 1 413 90 58 LEU HB3 H 1.92 0.01 1 414 90 58 LEU HG H 1.60 0.01 1 415 90 58 LEU HD1 H 1.01 0.01 1 416 90 58 LEU HD2 H 0.75 0.01 1 417 90 58 LEU N N 131.1 0.1 1 418 91 59 GLY H H 10.63 0.01 1 419 91 59 GLY HA2 H 3.92 0.01 1 420 91 59 GLY HA3 H 4.29 0.01 1 421 91 59 GLY N N 119.9 0.1 1 422 92 60 ASP H H 7.93 0.01 1 423 92 60 ASP HA H 4.83 0.01 1 424 92 60 ASP HB2 H 2.89 0.01 1 425 92 60 ASP HB3 H 2.73 0.01 1 426 92 60 ASP N N 121.7 0.1 1 427 93 61 CYS H H 8.93 0.01 1 428 93 61 CYS HA H 4.31 0.01 1 429 93 61 CYS HB2 H 3.18 0.01 2 430 93 61 CYS HB3 H 3.15 0.01 2 431 93 61 CYS N N 117.9 0.1 1 432 94 62 ASP H H 9.04 0.01 1 433 94 62 ASP HA H 4.67 0.01 1 434 94 62 ASP HB2 H 2.78 0.01 1 435 94 62 ASP HB3 H 2.71 0.01 1 436 94 62 ASP N N 120.0 0.1 1 437 95 63 VAL H H 6.83 0.01 1 438 95 63 VAL HA H 4.23 0.01 1 439 95 63 VAL HB H 1.78 0.01 1 440 95 63 VAL HG1 H 0.34 0.01 1 441 95 63 VAL HG2 H 0.13 0.01 1 442 95 63 VAL N N 112.5 0.1 1 443 96 64 ILE H H 7.66 0.01 1 444 96 64 ILE HA H 4.03 0.01 1 445 96 64 ILE HB H 2.11 0.01 1 446 96 64 ILE HG12 H 1.25 0.01 2 447 96 64 ILE HG13 H 1.14 0.01 2 448 96 64 ILE HG2 H 0.23 0.01 1 449 96 64 ILE HD1 H 0.70 0.01 1 450 96 64 ILE N N 113.4 0.1 1 451 97 65 GLN H H 9.12 0.01 1 452 97 65 GLN HA H 4.00 0.01 1 453 97 65 GLN HB2 H 2.25 0.01 1 454 97 65 GLN HB3 H 2.25 0.01 1 455 97 65 GLN HG2 H 2.50 0.01 1 456 97 65 GLN HG3 H 2.65 0.01 1 457 97 65 GLN HE21 H 7.78 0.01 1 458 97 65 GLN HE22 H 6.80 0.01 1 459 97 65 GLN N N 125.0 0.1 1 460 97 65 GLN NE2 N 111.8 0.1 1 461 98 66 ALA H H 9.02 0.01 1 462 98 66 ALA HA H 3.84 0.01 1 463 98 66 ALA HB H 1.11 0.01 1 464 98 66 ALA N N 116.0 0.1 1 465 99 67 LEU H H 7.24 0.01 1 466 99 67 LEU HA H 4.21 0.01 1 467 99 67 LEU HB2 H 1.27 0.01 1 468 99 67 LEU HB3 H 1.54 0.01 1 469 99 67 LEU HG H 1.37 0.01 1 470 99 67 LEU HD1 H 0.75 0.01 1 471 99 67 LEU HD2 H 0.75 0.01 1 472 99 67 LEU N N 114.0 0.1 1 473 100 68 ASP H H 7.31 0.01 1 474 100 68 ASP HA H 4.56 0.01 1 475 100 68 ASP HB2 H 2.41 0.01 1 476 100 68 ASP HB3 H 2.58 0.01 1 477 100 68 ASP N N 121.2 0.1 1 478 101 69 LEU H H 8.21 0.01 1 479 101 69 LEU HA H 4.27 0.01 1 480 101 69 LEU HB2 H 1.59 0.01 1 481 101 69 LEU HB3 H 1.17 0.01 1 482 101 69 LEU HG H 1.80 0.01 1 483 101 69 LEU HD1 H 0.67 0.01 1 484 101 69 LEU HD2 H 0.83 0.01 1 485 101 69 LEU N N 109.7 0.1 1 486 102 70 SER H H 7.16 0.01 1 487 102 70 SER HA H 4.45 0.01 1 488 102 70 SER HB2 H 3.62 0.01 1 489 102 70 SER HB3 H 3.53 0.01 1 490 102 70 SER HG H 5.26 0.01 1 491 102 70 SER N N 111.8 0.1 1 492 103 71 VAL H H 8.06 0.01 1 493 103 71 VAL HA H 3.95 0.01 1 494 103 71 VAL HB H 2.30 0.01 1 495 103 71 VAL HG1 H 1.01 0.01 1 496 103 71 VAL HG2 H 1.28 0.01 1 497 103 71 VAL N N 125.1 0.1 1 498 104 72 PRO HA H 4.32 0.01 1 499 104 72 PRO HB2 H 2.43 0.01 1 500 104 72 PRO HB3 H 2.43 0.01 1 501 104 72 PRO HG2 H 2.12 0.01 1 502 104 72 PRO HG3 H 1.80 0.01 1 503 104 72 PRO HD2 H 3.12 0.01 1 504 104 72 PRO HD3 H 3.62 0.01 1 505 105 73 LEU H H 7.38 0.01 1 506 105 73 LEU HA H 4.35 0.01 1 507 105 73 LEU HB2 H 1.74 0.01 2 508 105 73 LEU HB3 H 1.70 0.01 2 509 105 73 LEU HG H 1.60 0.01 1 510 105 73 LEU HD1 H 0.96 0.01 1 511 105 73 LEU HD2 H 0.85 0.01 1 512 105 73 LEU N N 114.8 0.1 1 513 106 74 MET H H 7.91 0.01 1 514 106 74 MET HA H 4.35 0.01 1 515 106 74 MET HB2 H 2.09 0.01 1 516 106 74 MET HB3 H 2.09 0.01 1 517 106 74 MET HG2 H 2.49 0.01 1 518 106 74 MET HG3 H 2.49 0.01 1 519 106 74 MET HE H 2.10 0.01 1 520 106 74 MET N N 121.7 0.1 1 521 107 75 ASP H H 7.61 0.01 1 522 107 75 ASP HA H 4.74 0.01 1 523 107 75 ASP HB2 H 2.27 0.01 1 524 107 75 ASP HB3 H 2.58 0.01 1 525 107 75 ASP N N 117.1 0.1 1 526 108 76 VAL H H 8.50 0.01 1 527 108 76 VAL HA H 3.32 0.01 1 528 108 76 VAL HB H 2.05 0.01 1 529 108 76 VAL HG1 H 0.83 0.01 1 530 108 76 VAL HG2 H 0.95 0.01 1 531 108 76 VAL N N 121.9 0.1 1 532 109 77 GLY H H 8.81 0.01 1 533 109 77 GLY HA2 H 3.73 0.01 1 534 109 77 GLY HA3 H 4.39 0.01 1 535 109 77 GLY N N 116.4 0.1 1 536 110 78 GLU H H 8.50 0.01 1 537 110 78 GLU HA H 4.63 0.01 1 538 110 78 GLU HB2 H 2.04 0.01 2 539 110 78 GLU HB3 H 1.98 0.01 2 540 110 78 GLU HG2 H 2.40 0.01 1 541 110 78 GLU HG3 H 2.24 0.01 1 542 110 78 GLU N N 124.5 0.1 1 543 111 79 THR H H 8.98 0.01 1 544 111 79 THR HA H 5.62 0.01 1 545 111 79 THR HB H 3.77 0.01 1 546 111 79 THR HG1 H 6.57 0.01 1 547 111 79 THR HG2 H 1.18 0.01 1 548 111 79 THR N N 119.4 0.1 1 549 112 80 ALA H H 9.97 0.01 1 550 112 80 ALA HA H 5.16 0.01 1 551 112 80 ALA HB H 1.51 0.01 1 552 112 80 ALA N N 131.4 0.1 1 553 113 81 MET H H 9.14 0.01 1 554 113 81 MET HA H 5.50 0.01 1 555 113 81 MET HB2 H 1.90 0.01 1 556 113 81 MET HB3 H 2.00 0.01 1 557 113 81 MET HG2 H 2.66 0.01 1 558 113 81 MET HG3 H 2.50 0.01 1 559 113 81 MET HE H 2.12 0.01 1 560 113 81 MET N N 120.2 0.1 1 561 114 82 VAL H H 9.74 0.01 1 562 114 82 VAL HA H 5.61 0.01 1 563 114 82 VAL HB H 2.03 0.01 1 564 114 82 VAL HG1 H 0.85 0.01 1 565 114 82 VAL HG2 H 0.91 0.01 1 566 114 82 VAL N N 128.3 0.1 1 567 115 83 THR H H 9.29 0.01 1 568 115 83 THR HA H 5.13 0.01 1 569 115 83 THR HB H 4.12 0.01 1 570 115 83 THR HG2 H 1.12 0.01 1 571 115 83 THR N N 119.6 0.1 1 572 116 84 ALA H H 8.64 0.01 1 573 116 84 ALA HA H 5.37 0.01 1 574 116 84 ALA HB H 1.11 0.01 1 575 116 84 ALA N N 126.7 0.1 1 576 117 85 ASP H H 8.16 0.01 1 577 117 85 ASP HA H 4.48 0.01 1 578 117 85 ASP HB2 H 2.98 0.01 1 579 117 85 ASP HB3 H 2.49 0.01 1 580 117 85 ASP N N 120.7 0.1 1 581 118 86 SER H H 8.66 0.01 1 582 118 86 SER HA H 3.94 0.01 1 583 118 86 SER HB2 H 3.60 0.01 1 584 118 86 SER HB3 H 3.51 0.01 1 585 118 86 SER N N 121.0 0.1 1 586 119 87 LYS H H 9.12 0.01 1 587 119 87 LYS HA H 3.99 0.01 1 588 119 87 LYS HB2 H 1.65 0.01 1 589 119 87 LYS HB3 H 1.28 0.01 1 590 119 87 LYS HG2 H 0.55 0.01 1 591 119 87 LYS HG3 H 0.93 0.01 1 592 119 87 LYS HD2 H 1.39 0.01 2 593 119 87 LYS HD3 H 1.37 0.01 2 594 119 87 LYS HE2 H 2.75 0.01 1 595 119 87 LYS HE3 H 2.75 0.01 1 596 119 87 LYS N N 125.6 0.1 1 597 120 88 TYR H H 7.62 0.01 1 598 120 88 TYR HA H 4.73 0.01 1 599 120 88 TYR HB2 H 2.58 0.01 1 600 120 88 TYR HB3 H 3.26 0.01 1 601 120 88 TYR HD1 H 6.92 0.01 1 602 120 88 TYR HD2 H 6.92 0.01 1 603 120 88 TYR HE1 H 6.69 0.01 1 604 120 88 TYR HE2 H 6.69 0.01 1 605 120 88 TYR N N 115.9 0.1 1 606 121 89 CYS H H 7.71 0.01 1 607 121 89 CYS HA H 4.43 0.01 1 608 121 89 CYS HB2 H 3.22 0.01 1 609 121 89 CYS HB3 H 2.33 0.01 1 610 121 89 CYS HG H 2.60 0.01 1 611 121 89 CYS N N 119.9 0.1 1 612 122 90 TYR H H 9.37 0.01 1 613 122 90 TYR HA H 4.59 0.01 1 614 122 90 TYR HB2 H 2.64 0.01 1 615 122 90 TYR HB3 H 3.16 0.01 1 616 122 90 TYR HD1 H 7.17 0.01 1 617 122 90 TYR HD2 H 7.17 0.01 1 618 122 90 TYR HE1 H 6.67 0.01 1 619 122 90 TYR HE2 H 6.67 0.01 1 620 122 90 TYR N N 122.6 0.1 1 621 123 91 GLY H H 8.01 0.01 1 622 123 91 GLY HA2 H 4.16 0.01 1 623 123 91 GLY HA3 H 3.61 0.01 1 624 123 91 GLY N N 107.2 0.1 1 625 124 92 PRO HA H 3.32 0.01 1 626 124 92 PRO HB2 H 2.30 0.01 1 627 124 92 PRO HB3 H 1.92 0.01 1 628 124 92 PRO HG2 H 2.08 0.01 1 629 124 92 PRO HG3 H 1.99 0.01 1 630 124 92 PRO HD2 H 3.60 0.01 1 631 124 92 PRO HD3 H 3.96 0.01 1 632 125 93 GLN H H 7.98 0.01 1 633 125 93 GLN HA H 4.14 0.01 1 634 125 93 GLN HB2 H 2.16 0.01 1 635 125 93 GLN HB3 H 2.31 0.01 1 636 125 93 GLN HG2 H 2.57 0.01 1 637 125 93 GLN HG3 H 2.44 0.01 1 638 125 93 GLN HE21 H 7.55 0.01 2 639 125 93 GLN HE22 H 6.89 0.01 2 640 125 93 GLN N N 114.4 0.1 1 641 125 93 GLN NE2 N 111.8 0.1 1 642 126 94 GLY H H 6.98 0.01 1 643 126 94 GLY HA2 H 3.69 0.01 2 644 126 94 GLY HA3 H 3.59 0.01 2 645 126 94 GLY N N 103.9 0.1 1 646 127 95 ARG H H 8.63 0.01 1 647 127 95 ARG HA H 4.24 0.01 1 648 127 95 ARG HB2 H 0.57 0.01 1 649 127 95 ARG HB3 H 0.57 0.01 1 650 127 95 ARG HG2 H 1.13 0.01 1 651 127 95 ARG HG3 H 1.28 0.01 1 652 127 95 ARG HD2 H 2.72 0.01 1 653 127 95 ARG HD3 H 2.82 0.01 1 654 127 95 ARG HE H 7.04 0.01 1 655 127 95 ARG N N 120.2 0.1 1 656 128 96 SER H H 8.01 0.01 1 657 128 96 SER HA H 4.34 0.01 1 658 128 96 SER HB2 H 3.83 0.01 2 659 128 96 SER HB3 H 3.73 0.01 2 660 128 96 SER N N 114.0 0.1 9 661 129 97 PRO HA H 4.73 0.01 1 662 129 97 PRO HB2 H 1.99 0.01 2 663 129 97 PRO HB3 H 1.65 0.01 2 664 129 97 PRO HG2 H 0.54 0.01 1 665 129 97 PRO HG3 H 1.58 0.01 1 666 129 97 PRO HD2 H 3.16 0.01 1 667 129 97 PRO HD3 H 3.40 0.01 1 668 130 98 TYR H H 7.73 0.01 1 669 130 98 TYR HA H 4.70 0.01 1 670 130 98 TYR HB2 H 2.95 0.01 1 671 130 98 TYR HB3 H 3.27 0.01 1 672 130 98 TYR HD1 H 7.15 0.01 1 673 130 98 TYR HD2 H 7.15 0.01 1 674 130 98 TYR HE1 H 6.88 0.01 1 675 130 98 TYR HE2 H 6.88 0.01 1 676 130 98 TYR N N 119.9 0.1 1 677 131 99 ILE H H 7.84 0.01 1 678 131 99 ILE HA H 4.74 0.01 1 679 131 99 ILE HB H 1.72 0.01 1 680 131 99 ILE HG12 H 0.91 0.01 1 681 131 99 ILE HG13 H 0.91 0.01 1 682 131 99 ILE HG2 H 1.02 0.01 1 683 131 99 ILE HD1 H 0.78 0.01 1 684 131 99 ILE N N 118.1 0.1 1 685 132 100 PRO HA H 3.72 0.01 9 686 132 100 PRO HB2 H 1.97 0.01 9 687 132 100 PRO HB3 H 1.97 0.01 9 688 132 100 PRO HG2 H 2.05 0.01 9 689 132 100 PRO HG3 H 2.05 0.01 9 690 132 100 PRO HD2 H 3.68 0.01 9 691 132 100 PRO HD3 H 3.53 0.01 9 692 133 101 PRO HA H 4.33 0.01 1 693 133 101 PRO HB2 H 2.03 0.01 2 694 133 101 PRO HB3 H 1.93 0.01 2 695 133 101 PRO HG2 H 1.57 0.01 1 696 133 101 PRO HG3 H 2.25 0.01 1 697 133 101 PRO HD2 H 3.60 0.01 1 698 133 101 PRO HD3 H 3.60 0.01 1 699 134 102 HIS H H 7.82 0.01 1 700 134 102 HIS HA H 3.86 0.01 1 701 134 102 HIS HB2 H 3.25 0.01 2 702 134 102 HIS HB3 H 3.19 0.01 2 703 134 102 HIS HD2 H 6.91 0.01 1 704 134 102 HIS HE1 H 7.80 0.01 1 705 134 102 HIS N N 115.9 0.1 1 706 135 103 ALA H H 7.49 0.01 1 707 135 103 ALA HA H 4.48 0.01 1 708 135 103 ALA HB H 1.35 0.01 1 709 135 103 ALA N N 122.2 0.1 1 710 136 104 ALA H H 8.49 0.01 1 711 136 104 ALA HA H 4.62 0.01 1 712 136 104 ALA HB H 1.46 0.01 1 713 136 104 ALA N N 129.1 0.1 1 714 137 105 LEU H H 8.24 0.01 1 715 137 105 LEU HA H 5.25 0.01 1 716 137 105 LEU HB2 H 1.90 0.01 1 717 137 105 LEU HB3 H 1.90 0.01 1 718 137 105 LEU HG H 1.41 0.01 1 719 137 105 LEU HD1 H 1.05 0.01 1 720 137 105 LEU HD2 H 0.89 0.01 1 721 137 105 LEU N N 117.2 0.1 1 722 138 106 CYS H H 8.84 0.01 1 723 138 106 CYS HA H 5.06 0.01 1 724 138 106 CYS HB2 H 2.70 0.01 1 725 138 106 CYS HB3 H 2.90 0.01 1 726 138 106 CYS N N 120.9 0.1 1 727 139 107 LEU H H 9.92 0.01 1 728 139 107 LEU HA H 5.23 0.01 1 729 139 107 LEU HB2 H 1.89 0.01 1 730 139 107 LEU HB3 H 1.66 0.01 1 731 139 107 LEU HG H 1.27 0.01 1 732 139 107 LEU HD1 H 0.94 0.01 1 733 139 107 LEU HD2 H 0.69 0.01 1 734 139 107 LEU N N 127.9 0.1 1 735 140 108 GLU H H 9.21 0.01 1 736 140 108 GLU HA H 5.20 0.01 1 737 140 108 GLU HB2 H 2.03 0.01 1 738 140 108 GLU HB3 H 2.03 0.01 1 739 140 108 GLU HG2 H 1.94 0.01 1 740 140 108 GLU HG3 H 1.94 0.01 1 741 140 108 GLU N N 125.3 0.1 1 742 141 109 VAL H H 9.42 0.01 1 743 141 109 VAL HA H 4.96 0.01 1 744 141 109 VAL HB H 1.96 0.01 1 745 141 109 VAL HG1 H 0.84 0.01 1 746 141 109 VAL HG2 H 0.82 0.01 1 747 141 109 VAL N N 128.0 0.1 1 748 142 110 THR H H 9.22 0.01 1 749 142 110 THR HA H 5.58 0.01 1 750 142 110 THR HB H 4.07 0.01 1 751 142 110 THR HG2 H 1.03 0.01 1 752 142 110 THR N N 124.1 0.1 1 753 143 111 LEU H H 8.44 0.01 1 754 143 111 LEU HA H 4.66 0.01 1 755 143 111 LEU HB2 H 1.92 0.01 1 756 143 111 LEU HB3 H 1.92 0.01 1 757 143 111 LEU HG H 1.44 0.01 1 758 143 111 LEU HD1 H 0.88 0.01 1 759 143 111 LEU HD2 H 0.76 0.01 1 760 143 111 LEU N N 129.4 0.1 1 761 144 112 LYS H H 8.98 0.01 1 762 144 112 LYS HA H 4.30 0.01 1 763 144 112 LYS HB2 H 1.67 0.01 1 764 144 112 LYS HB3 H 1.85 0.01 1 765 144 112 LYS HG2 H 1.38 0.01 1 766 144 112 LYS HG3 H 1.53 0.01 1 767 144 112 LYS HD2 H 1.73 0.01 2 768 144 112 LYS HD3 H 1.63 0.01 2 769 144 112 LYS HE2 H 2.95 0.01 1 770 144 112 LYS HE3 H 2.95 0.01 1 771 144 112 LYS N N 128.5 0.1 1 772 145 113 THR H H 7.36 0.01 1 773 145 113 THR HA H 4.52 0.01 1 774 145 113 THR HB H 4.06 0.01 1 775 145 113 THR HG1 H 5.53 0.01 1 776 145 113 THR HG2 H 1.10 0.01 1 777 145 113 THR N N 106.1 0.1 1 778 146 114 ALA H H 8.33 0.01 1 779 146 114 ALA HA H 5.02 0.01 1 780 146 114 ALA HB H 1.11 0.01 1 781 146 114 ALA N N 123.0 0.1 1 782 147 115 VAL H H 8.68 0.01 1 783 147 115 VAL HA H 4.66 0.01 1 784 147 115 VAL HB H 2.19 0.01 1 785 147 115 VAL HG1 H 0.91 0.01 1 786 147 115 VAL HG2 H 0.82 0.01 1 787 147 115 VAL N N 117.7 0.1 1 788 148 116 ASP H H 8.55 0.01 1 789 148 116 ASP HA H 4.66 0.01 1 790 148 116 ASP HB2 H 2.77 0.01 1 791 148 116 ASP HB3 H 2.57 0.01 1 792 148 116 ASP N N 122.5 0.1 1 793 149 117 GLY H H 8.45 0.01 1 794 149 117 GLY HA2 H 4.22 0.01 1 795 149 117 GLY HA3 H 3.98 0.01 1 796 149 117 GLY N N 109.0 0.1 1 797 150 118 PRO HA H 4.41 0.01 1 798 150 118 PRO HB2 H 1.92 0.01 1 799 150 118 PRO HB3 H 2.25 0.01 1 800 150 118 PRO HG2 H 1.97 0.01 1 801 150 118 PRO HG3 H 2.00 0.01 1 802 150 118 PRO HD2 H 3.63 0.01 2 803 150 118 PRO HD3 H 3.56 0.01 2 804 151 119 ASP H H 8.43 0.01 1 805 151 119 ASP HA H 4.60 0.01 1 806 151 119 ASP HB2 H 2.58 0.01 1 807 151 119 ASP HB3 H 2.74 0.01 1 808 151 119 ASP N N 120.0 0.1 1 809 152 120 LEU H H 8.16 0.01 1 810 152 120 LEU HA H 4.36 0.01 1 811 152 120 LEU HB2 H 1.63 0.01 1 812 152 120 LEU HB3 H 1.63 0.01 1 813 152 120 LEU HG H 1.63 0.01 1 814 152 120 LEU HD1 H 0.91 0.01 2 815 152 120 LEU HD2 H 0.86 0.01 2 816 152 120 LEU N N 123.0 0.1 1 817 153 121 GLU H H 7.86 0.01 1 818 153 121 GLU HA H 4.09 0.01 1 819 153 121 GLU HB2 H 1.90 0.01 1 820 153 121 GLU HB3 H 2.03 0.01 1 821 153 121 GLU HG2 H 2.20 0.01 1 822 153 121 GLU HG3 H 2.20 0.01 1 823 153 121 GLU N N 126.5 0.1 1 stop_ save_