data_5284 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H and 15N Chemical Shift Assignments for Human A54 I-FABP ; _BMRB_accession_number 5284 _BMRB_flat_file_name bmr5284.str _Entry_type original _Submission_date 2002-02-08 _Accession_date 2002-02-08 _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 Zhang Fengli . . 2 Luecke Christian . . 3 Baier Leslie J. . 4 Sacchettini James C. . 5 Hamilton James A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 813 "15N chemical shifts" 148 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-06-25 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 5285 'Point mutation at position 54 with respect to this entry.' stop_ _Original_release_date 2003-06-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of human intestinal fatty acid binding protein with a naturally-occurring single amino acid substitution (A54T) that is associated with altered lipid metabolism ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Fengli . . 2 Luecke Christian . . 3 Baier Leslie J. . 4 Sacchettini James C. . 5 Hamilton James A. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 42 _Journal_issue 24 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7339 _Page_last 7349 _Year 2003 _Details . loop_ _Keyword 'fatty acid binding' 'type 2 diabetes' 'single base polymorphism' holo-form stop_ save_ ################################## # Molecular system description # ################################## save_system_I-FABP _Saveframe_category molecular_system _Mol_system_name 'A54 I-FABP' _Abbreviation_common I-FABP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'A54 I-FABP' $I-FABP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'fatty acid carrier' stop_ _Database_query_date . _Details 'The sequence is identical to Swiss-Prot entry P12104.' save_ ######################## # Monomeric polymers # ######################## save_I-FABP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'intestinal fatty acid binding protein' _Abbreviation_common I-FABP _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; AFDSTWKVDRSENYDKFMEK MGVNIVKRKLAAHDNLKLTI TQEGNKFTVKESSAFRNIEV VFELGVTFNYNLADGTELRG TWSLEGNKLIGKFKRTDNGN ELNTVREIIGDELVQTYVYE GVEAKRIFKKD ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 PHE 3 ASP 4 SER 5 THR 6 TRP 7 LYS 8 VAL 9 ASP 10 ARG 11 SER 12 GLU 13 ASN 14 TYR 15 ASP 16 LYS 17 PHE 18 MET 19 GLU 20 LYS 21 MET 22 GLY 23 VAL 24 ASN 25 ILE 26 VAL 27 LYS 28 ARG 29 LYS 30 LEU 31 ALA 32 ALA 33 HIS 34 ASP 35 ASN 36 LEU 37 LYS 38 LEU 39 THR 40 ILE 41 THR 42 GLN 43 GLU 44 GLY 45 ASN 46 LYS 47 PHE 48 THR 49 VAL 50 LYS 51 GLU 52 SER 53 SER 54 ALA 55 PHE 56 ARG 57 ASN 58 ILE 59 GLU 60 VAL 61 VAL 62 PHE 63 GLU 64 LEU 65 GLY 66 VAL 67 THR 68 PHE 69 ASN 70 TYR 71 ASN 72 LEU 73 ALA 74 ASP 75 GLY 76 THR 77 GLU 78 LEU 79 ARG 80 GLY 81 THR 82 TRP 83 SER 84 LEU 85 GLU 86 GLY 87 ASN 88 LYS 89 LEU 90 ILE 91 GLY 92 LYS 93 PHE 94 LYS 95 ARG 96 THR 97 ASP 98 ASN 99 GLY 100 ASN 101 GLU 102 LEU 103 ASN 104 THR 105 VAL 106 ARG 107 GLU 108 ILE 109 ILE 110 GLY 111 ASP 112 GLU 113 LEU 114 VAL 115 GLN 116 THR 117 TYR 118 VAL 119 TYR 120 GLU 121 GLY 122 VAL 123 GLU 124 ALA 125 LYS 126 ARG 127 ILE 128 PHE 129 LYS 130 LYS 131 ASP 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 19727 HIFABP 100.00 131 100.00 100.00 1.51e-87 BMRB 5285 I-FABP 100.00 131 99.24 99.24 8.37e-87 PDB 1KZW "Solution Structure Of Human Intestinal Fatty Acid Binding Protein" 99.24 131 100.00 100.00 1.12e-86 PDB 1KZX "Solution Structure Of Human Intestinal Fatty Acid Binding Protein With A Naturally-Occurring Single Amino Acid Substitution (A5" 100.00 131 99.24 99.24 8.37e-87 PDB 2MJI Hifabp_ketorolac_complex 100.00 131 100.00 100.00 1.51e-87 PDB 3AKM "X-Ray Structure Of Ifabp From Human And Rat With Bound Fluorescent Fatty Acid Analogue" 100.00 131 100.00 100.00 1.51e-87 PDB 3IFB "Nmr Study Of Human Intestinal Fatty Acid Binding Protein" 100.00 131 100.00 100.00 1.51e-87 GB AAA52417 "fatty acid binding protein [Homo sapiens]" 100.00 132 100.00 100.00 1.46e-87 GB AAH69466 "Fatty acid binding protein 2, intestinal [Homo sapiens]" 100.00 132 100.00 100.00 1.46e-87 GB AAH69617 "FABP2 protein [Homo sapiens]" 100.00 132 100.00 100.00 1.46e-87 GB AAH69625 "Fatty acid binding protein 2, intestinal [Homo sapiens]" 100.00 132 100.00 100.00 1.46e-87 GB AAH69637 "Fatty acid binding protein 2, intestinal [Homo sapiens]" 100.00 132 100.00 100.00 1.46e-87 REF NP_000125 "fatty acid-binding protein, intestinal [Homo sapiens]" 100.00 132 99.24 99.24 8.10e-87 REF XP_001149448 "PREDICTED: fatty acid-binding protein, intestinal [Pan troglodytes]" 100.00 132 97.71 99.24 2.36e-86 REF XP_002815138 "PREDICTED: fatty acid-binding protein, intestinal [Pongo abelii]" 100.00 132 97.71 97.71 4.50e-85 REF XP_003830103 "PREDICTED: fatty acid-binding protein, intestinal [Pan paniscus]" 100.00 132 97.71 99.24 2.36e-86 REF XP_004040374 "PREDICTED: fatty acid-binding protein, intestinal [Gorilla gorilla gorilla]" 100.00 132 99.24 99.24 8.64e-87 SP P12104 "RecName: Full=Fatty acid-binding protein, intestinal; AltName: Full=Fatty acid-binding protein 2; AltName: Full=Intestinal-type" 100.00 132 100.00 100.00 1.46e-87 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $I-FABP Human 9606 Eukaryota Metazoa Homo sapiens FABP2 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 $I-FABP 'recombinant technology' 'E. coli' Escherichia coli 'BL21 (DE3)' plasmid pET-3d stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Contains a mixture of endogenous fatty acids that are bound to the protein.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $I-FABP . mM 3 4 . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'Contains a mixture of endogenous fatty acids that are bound to the protein.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $I-FABP . mM 3 4 [U-15N] stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 1.3 loop_ _Task processing stop_ _Details Bruker save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H TOCSY' _Sample_label . save_ save_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H NOESY' _Sample_label . save_ save_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-15N_HTQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HTQC' _Sample_label . save_ save_3D_1H-15N_TOCSY-HMQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY-HMQC' _Sample_label . save_ save_3D_1H-15N_NOESY-HMQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-HMQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HTQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY-HMQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-HMQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 n/a temperature 310 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 TSP H 1 'methyl protons' ppm 0.00 external direct cylindrical external parallel 1.0 'ammonium chloride' N 15 'amino nitrogen' ppm 24.93 external direct cylindrical external parallel 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'A54 I-FABP' _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 PHE HA H 4.39 0.01 1 2 . 2 PHE HB2 H 2.96 0.01 1 3 . 2 PHE HB3 H 3.12 0.01 1 4 . 2 PHE HD1 H 7.01 0.01 1 5 . 2 PHE HD2 H 7.01 0.01 1 6 . 2 PHE HE1 H 6.88 0.01 1 7 . 2 PHE HE2 H 6.88 0.01 1 8 . 2 PHE HZ H 7.20 0.01 1 9 . 3 ASP H H 8.33 0.01 1 10 . 3 ASP HA H 4.81 0.01 1 11 . 3 ASP HB2 H 2.61 0.01 1 12 . 3 ASP HB3 H 2.51 0.01 1 13 . 3 ASP N N 120.9 0.1 1 14 . 4 SER H H 8.20 0.01 1 15 . 4 SER HA H 4.21 0.01 1 16 . 4 SER HB2 H 2.59 0.01 1 17 . 4 SER HB3 H 3.25 0.01 1 18 . 4 SER N N 123.3 0.1 1 19 . 5 THR H H 8.02 0.01 1 20 . 5 THR HA H 5.09 0.01 1 21 . 5 THR HB H 3.92 0.01 1 22 . 5 THR HG2 H 1.14 0.01 1 23 . 5 THR N N 120.0 0.1 1 24 . 6 TRP H H 9.41 0.01 1 25 . 6 TRP HA H 5.22 0.01 1 26 . 6 TRP HB2 H 2.87 0.01 1 27 . 6 TRP HB3 H 3.10 0.01 1 28 . 6 TRP HD1 H 6.79 0.01 1 29 . 6 TRP HE1 H 9.82 0.01 1 30 . 6 TRP HE3 H 7.11 0.01 1 31 . 6 TRP HZ2 H 7.23 0.01 1 32 . 6 TRP HZ3 H 7.19 0.01 1 33 . 6 TRP HH2 H 6.88 0.01 1 34 . 6 TRP N N 131.9 0.1 1 35 . 6 TRP NE1 N 130.3 0.1 1 36 . 7 LYS H H 9.89 0.01 1 37 . 7 LYS HA H 5.43 0.01 1 38 . 7 LYS HB2 H 1.83 0.01 1 39 . 7 LYS HB3 H 1.83 0.01 1 40 . 7 LYS HG2 H 1.46 0.01 1 41 . 7 LYS HG3 H 1.46 0.01 1 42 . 7 LYS HD2 H 1.74 0.01 2 43 . 7 LYS HD3 H 1.65 0.01 2 44 . 7 LYS HE2 H 2.95 0.01 1 45 . 7 LYS HE3 H 2.95 0.01 1 46 . 7 LYS N N 126.7 0.1 1 47 . 8 VAL H H 8.74 0.01 1 48 . 8 VAL HA H 3.29 0.01 1 49 . 8 VAL HB H 1.70 0.01 1 50 . 8 VAL HG1 H 0.87 0.01 1 51 . 8 VAL HG2 H 0.22 0.01 1 52 . 8 VAL N N 131.6 0.1 1 53 . 9 ASP H H 9.65 0.01 1 54 . 9 ASP HA H 4.91 0.01 1 55 . 9 ASP HB2 H 2.45 0.01 1 56 . 9 ASP HB3 H 2.52 0.01 1 57 . 9 ASP N N 131.3 0.1 1 58 . 10 ARG H H 7.74 0.01 1 59 . 10 ARG HA H 4.72 0.01 1 60 . 10 ARG HB2 H 1.83 0.01 1 61 . 10 ARG HB3 H 1.83 0.01 1 62 . 10 ARG HG2 H 1.31 0.01 1 63 . 10 ARG HG3 H 1.60 0.01 1 64 . 10 ARG HD2 H 3.15 0.01 1 65 . 10 ARG HD3 H 3.08 0.01 1 66 . 10 ARG HE H 7.22 0.01 1 67 . 10 ARG N N 116.3 0.1 1 68 . 10 ARG NE N 87.7 0.1 1 69 . 11 SER H H 8.48 0.01 1 70 . 11 SER HA H 5.26 0.01 1 71 . 11 SER HB2 H 3.68 0.01 1 72 . 11 SER HB3 H 3.73 0.01 1 73 . 11 SER N N 117.0 0.1 1 74 . 12 GLU H H 9.39 0.01 1 75 . 12 GLU HA H 4.71 0.01 1 76 . 12 GLU HB2 H 1.80 0.01 1 77 . 12 GLU HB3 H 2.07 0.01 1 78 . 12 GLU HG2 H 2.15 0.01 1 79 . 12 GLU HG3 H 2.04 0.01 1 80 . 12 GLU N N 126.3 0.1 1 81 . 13 ASN H H 9.26 0.01 1 82 . 13 ASN HA H 4.69 0.01 1 83 . 13 ASN HB2 H 2.79 0.01 1 84 . 13 ASN HB3 H 3.77 0.01 1 85 . 13 ASN HD21 H 6.82 0.01 1 86 . 13 ASN HD22 H 8.02 0.01 1 87 . 13 ASN N N 125.4 0.1 1 88 . 13 ASN ND2 N 114.5 0.1 1 89 . 14 TYR H H 8.28 0.01 1 90 . 14 TYR HA H 4.39 0.01 1 91 . 14 TYR HB2 H 2.89 0.01 1 92 . 14 TYR HB3 H 3.13 0.01 1 93 . 14 TYR HD1 H 6.89 0.01 1 94 . 14 TYR HD2 H 6.89 0.01 1 95 . 14 TYR HE1 H 6.42 0.01 1 96 . 14 TYR HE2 H 6.42 0.01 1 97 . 14 TYR N N 123.2 0.1 1 98 . 15 ASP H H 8.51 0.01 1 99 . 15 ASP HA H 4.08 0.01 1 100 . 15 ASP HB2 H 2.60 0.01 1 101 . 15 ASP HB3 H 2.60 0.01 1 102 . 15 ASP N N 121.8 0.1 1 103 . 16 LYS H H 7.90 0.01 1 104 . 16 LYS HA H 4.01 0.01 1 105 . 16 LYS HB2 H 1.70 0.01 1 106 . 16 LYS HB3 H 1.83 0.01 1 107 . 16 LYS HG2 H 1.50 0.01 1 108 . 16 LYS HG3 H 1.56 0.01 1 109 . 16 LYS HD2 H 1.73 0.01 1 110 . 16 LYS HD3 H 1.73 0.01 1 111 . 16 LYS HE2 H 3.00 0.01 1 112 . 16 LYS HE3 H 3.00 0.01 1 113 . 16 LYS N N 123.0 0.1 1 114 . 17 PHE H H 7.68 0.01 1 115 . 17 PHE HA H 3.95 0.01 1 116 . 17 PHE HB2 H 3.07 0.01 1 117 . 17 PHE HB3 H 3.17 0.01 1 118 . 17 PHE HD1 H 6.91 0.01 1 119 . 17 PHE HD2 H 6.91 0.01 1 120 . 17 PHE HE1 H 6.95 0.01 1 121 . 17 PHE HE2 H 6.95 0.01 1 122 . 17 PHE HZ H 6.77 0.01 1 123 . 17 PHE N N 124.3 0.1 1 124 . 18 MET H H 8.12 0.01 1 125 . 18 MET HA H 3.23 0.01 1 126 . 18 MET HB2 H 2.10 0.01 1 127 . 18 MET HB3 H 2.19 0.01 1 128 . 18 MET HG2 H 1.59 0.01 1 129 . 18 MET HG3 H 1.28 0.01 1 130 . 18 MET N N 121.4 0.1 1 131 . 19 GLU H H 8.31 0.01 1 132 . 19 GLU HA H 3.77 0.01 1 133 . 19 GLU HB2 H 2.16 0.01 2 134 . 19 GLU HB3 H 1.87 0.01 2 135 . 19 GLU HG2 H 2.02 0.01 1 136 . 19 GLU HG3 H 2.18 0.01 1 137 . 19 GLU N N 123.6 0.1 1 138 . 20 LYS H H 7.98 0.01 1 139 . 20 LYS HA H 4.05 0.01 1 140 . 20 LYS HB2 H 1.92 0.01 1 141 . 20 LYS HB3 H 2.04 0.01 1 142 . 20 LYS HG2 H 1.47 0.01 1 143 . 20 LYS HG3 H 1.47 0.01 1 144 . 20 LYS HD2 H 1.65 0.01 1 145 . 20 LYS HD3 H 1.65 0.01 1 146 . 20 LYS HE2 H 3.13 0.01 1 147 . 20 LYS HE3 H 3.13 0.01 1 148 . 20 LYS N N 126.3 0.1 1 149 . 21 MET H H 7.50 0.01 1 150 . 21 MET HA H 3.62 0.01 1 151 . 21 MET HB2 H 1.71 0.01 1 152 . 21 MET HB3 H 1.47 0.01 1 153 . 21 MET HG2 H 1.11 0.01 1 154 . 21 MET HG3 H 1.24 0.01 1 155 . 21 MET N N 118.4 0.1 1 156 . 22 GLY H H 7.66 0.01 1 157 . 22 GLY HA2 H 3.61 0.01 1 158 . 22 GLY HA3 H 4.00 0.01 1 159 . 22 GLY N N 111.2 0.1 1 160 . 23 VAL H H 7.33 0.01 1 161 . 23 VAL HA H 3.66 0.01 1 162 . 23 VAL HB H 1.37 0.01 1 163 . 23 VAL HG1 H 0.63 0.01 1 164 . 23 VAL HG2 H 0.81 0.01 1 165 . 23 VAL N N 124.5 0.1 1 166 . 24 ASN H H 8.79 0.01 1 167 . 24 ASN HA H 4.36 0.01 1 168 . 24 ASN HB2 H 2.57 0.01 1 169 . 24 ASN HB3 H 3.08 0.01 1 170 . 24 ASN HD21 H 6.94 0.01 1 171 . 24 ASN HD22 H 7.72 0.01 1 172 . 24 ASN N N 131.4 0.1 1 173 . 24 ASN ND2 N 116.6 0.1 1 174 . 25 ILE H H 8.49 0.01 1 175 . 25 ILE HA H 3.69 0.01 1 176 . 25 ILE HB H 1.82 0.01 1 177 . 25 ILE HG12 H 1.40 0.01 2 178 . 25 ILE HG13 H 1.20 0.01 2 179 . 25 ILE HG2 H 0.95 0.01 1 180 . 25 ILE HD1 H 0.87 0.01 1 181 . 25 ILE N N 126.1 0.1 1 182 . 26 VAL H H 7.57 0.01 1 183 . 26 VAL HA H 3.69 0.01 1 184 . 26 VAL HB H 2.06 0.01 1 185 . 26 VAL HG1 H 0.92 0.01 1 186 . 26 VAL HG2 H 1.00 0.01 1 187 . 26 VAL N N 124.3 0.1 1 188 . 27 LYS H H 7.58 0.01 1 189 . 27 LYS HA H 4.10 0.01 1 190 . 27 LYS HB2 H 1.78 0.01 1 191 . 27 LYS HB3 H 1.78 0.01 1 192 . 27 LYS HG2 H 1.59 0.01 2 193 . 27 LYS HG3 H 1.39 0.01 2 194 . 27 LYS HD2 H 1.49 0.01 1 195 . 27 LYS HD3 H 1.49 0.01 1 196 . 27 LYS HE2 H 2.84 0.01 1 197 . 27 LYS HE3 H 2.84 0.01 1 198 . 27 LYS N N 122.0 0.1 1 199 . 28 ARG H H 8.44 0.01 1 200 . 28 ARG HA H 3.84 0.01 1 201 . 28 ARG HB2 H 1.82 0.01 1 202 . 28 ARG HB3 H 1.71 0.01 1 203 . 28 ARG HG2 H 1.37 0.01 1 204 . 28 ARG HG3 H 1.37 0.01 1 205 . 28 ARG HD2 H 2.88 0.01 1 206 . 28 ARG HD3 H 3.04 0.01 1 207 . 28 ARG HE H 7.24 0.01 1 208 . 28 ARG N N 122.4 0.1 1 209 . 28 ARG NE N 85.2 0.1 1 210 . 29 LYS H H 7.71 0.01 1 211 . 29 LYS HA H 4.04 0.01 1 212 . 29 LYS HB2 H 1.88 0.01 1 213 . 29 LYS HB3 H 1.88 0.01 1 214 . 29 LYS HG2 H 1.43 0.01 1 215 . 29 LYS HG3 H 1.43 0.01 1 216 . 29 LYS HD2 H 1.65 0.01 1 217 . 29 LYS HD3 H 1.65 0.01 1 218 . 29 LYS HE2 H 2.91 0.01 1 219 . 29 LYS HE3 H 2.91 0.01 1 220 . 29 LYS N N 122.2 0.1 1 221 . 30 LEU H H 7.18 0.01 1 222 . 30 LEU HA H 4.08 0.01 1 223 . 30 LEU HB2 H 1.48 0.01 1 224 . 30 LEU HB3 H 1.66 0.01 1 225 . 30 LEU HG H 1.72 0.01 1 226 . 30 LEU HD1 H 0.79 0.01 1 227 . 30 LEU HD2 H 0.59 0.01 1 228 . 30 LEU N N 122.3 0.1 1 229 . 31 ALA H H 8.49 0.01 1 230 . 31 ALA HA H 4.14 0.01 1 231 . 31 ALA HB H 1.55 0.01 1 232 . 31 ALA N N 124.0 0.1 1 233 . 32 ALA H H 7.41 0.01 1 234 . 32 ALA HA H 4.11 0.01 1 235 . 32 ALA HB H 1.35 0.01 1 236 . 32 ALA N N 120.2 0.1 1 237 . 33 HIS H H 7.60 0.01 1 238 . 33 HIS HA H 4.94 0.01 1 239 . 33 HIS HB2 H 2.93 0.01 1 240 . 33 HIS HB3 H 3.35 0.01 1 241 . 33 HIS HD2 H 7.29 0.01 1 242 . 33 HIS HE1 H 8.38 0.01 1 243 . 33 HIS N N 121.1 0.1 1 244 . 34 ASP H H 7.27 0.01 1 245 . 34 ASP HA H 3.99 0.01 1 246 . 34 ASP HB2 H 2.84 0.01 1 247 . 34 ASP HB3 H 2.94 0.01 1 248 . 34 ASP N N 121.3 0.1 1 249 . 35 ASN H H 8.91 0.01 1 250 . 35 ASN HA H 4.23 0.01 1 251 . 35 ASN HB2 H 2.70 0.01 1 252 . 35 ASN HB3 H 3.00 0.01 1 253 . 35 ASN HD21 H 7.31 0.01 1 254 . 35 ASN HD22 H 6.68 0.01 1 255 . 35 ASN N N 121.9 0.1 1 256 . 35 ASN ND2 N 115.2 0.1 1 257 . 36 LEU H H 6.85 0.01 1 258 . 36 LEU HA H 4.32 0.01 1 259 . 36 LEU HB2 H 1.78 0.01 1 260 . 36 LEU HB3 H 1.65 0.01 1 261 . 36 LEU HG H 1.62 0.01 1 262 . 36 LEU HD1 H 1.09 0.01 1 263 . 36 LEU HD2 H 1.09 0.01 1 264 . 36 LEU N N 122.3 0.1 1 265 . 37 LYS H H 9.37 0.01 1 266 . 37 LYS HA H 5.58 0.01 1 267 . 37 LYS HB2 H 1.85 0.01 1 268 . 37 LYS HB3 H 1.77 0.01 1 269 . 37 LYS HG2 H 1.38 0.01 1 270 . 37 LYS HG3 H 1.38 0.01 1 271 . 37 LYS HD2 H 1.64 0.01 2 272 . 37 LYS HD3 H 1.57 0.01 2 273 . 37 LYS HE2 H 2.89 0.01 1 274 . 37 LYS HE3 H 2.89 0.01 1 275 . 37 LYS N N 131.1 0.1 1 276 . 38 LEU H H 9.30 0.01 1 277 . 38 LEU HA H 5.56 0.01 1 278 . 38 LEU HB2 H 1.14 0.01 1 279 . 38 LEU HB3 H 1.56 0.01 1 280 . 38 LEU HG H 1.48 0.01 1 281 . 38 LEU HD1 H 0.36 0.01 1 282 . 38 LEU HD2 H 0.85 0.01 1 283 . 38 LEU N N 126.4 0.1 1 284 . 39 THR H H 9.12 0.01 1 285 . 39 THR HA H 5.21 0.01 1 286 . 39 THR HB H 4.01 0.01 1 287 . 39 THR HG2 H 1.13 0.01 1 288 . 39 THR N N 124.6 0.1 1 289 . 40 ILE H H 8.58 0.01 1 290 . 40 ILE HA H 4.93 0.01 1 291 . 40 ILE HB H 2.18 0.01 1 292 . 40 ILE HG12 H 0.95 0.01 1 293 . 40 ILE HG13 H 1.70 0.01 1 294 . 40 ILE HG2 H 0.75 0.01 1 295 . 40 ILE HD1 H 0.54 0.01 1 296 . 40 ILE N N 132.0 0.1 1 297 . 41 THR H H 8.67 0.01 1 298 . 41 THR HA H 4.62 0.01 1 299 . 41 THR HB H 3.86 0.01 1 300 . 41 THR HG2 H 1.04 0.01 1 301 . 41 THR N N 125.0 0.1 1 302 . 42 GLN H H 8.93 0.01 1 303 . 42 GLN HA H 4.15 0.01 1 304 . 42 GLN HB2 H 1.63 0.01 1 305 . 42 GLN HB3 H 1.63 0.01 1 306 . 42 GLN HG2 H 1.75 0.01 2 307 . 42 GLN HG3 H 0.97 0.01 2 308 . 42 GLN HE21 H 7.49 0.01 1 309 . 42 GLN HE22 H 6.28 0.01 1 310 . 42 GLN N N 130.7 0.1 1 311 . 42 GLN NE2 N 110.5 0.1 1 312 . 43 GLU H H 8.80 0.01 1 313 . 43 GLU HA H 4.35 0.01 1 314 . 43 GLU HB2 H 1.85 0.01 1 315 . 43 GLU HB3 H 1.69 0.01 1 316 . 43 GLU HG2 H 1.98 0.01 1 317 . 43 GLU HG3 H 1.98 0.01 1 318 . 43 GLU N N 132.6 0.1 1 319 . 44 GLY H H 8.85 0.01 1 320 . 44 GLY HA2 H 3.53 0.01 1 321 . 44 GLY HA3 H 3.90 0.01 1 322 . 44 GLY N N 120.7 0.1 1 323 . 45 ASN H H 8.70 0.01 1 324 . 45 ASN HA H 4.80 0.01 1 325 . 45 ASN HB2 H 2.90 0.01 1 326 . 45 ASN HB3 H 3.10 0.01 1 327 . 45 ASN HD21 H 7.73 0.01 1 328 . 45 ASN HD22 H 6.88 0.01 1 329 . 45 ASN N N 128.9 0.1 1 330 . 45 ASN ND2 N 115.5 0.1 1 331 . 46 LYS H H 7.88 0.01 1 332 . 46 LYS HA H 4.88 0.01 1 333 . 46 LYS HB2 H 1.83 0.01 1 334 . 46 LYS HB3 H 1.66 0.01 1 335 . 46 LYS HG2 H 1.09 0.01 1 336 . 46 LYS HG3 H 1.26 0.01 1 337 . 46 LYS HD2 H 1.54 0.01 1 338 . 46 LYS HD3 H 1.54 0.01 1 339 . 46 LYS HE2 H 2.78 0.01 1 340 . 46 LYS HE3 H 2.78 0.01 1 341 . 46 LYS N N 124.1 0.1 1 342 . 47 PHE H H 9.11 0.01 1 343 . 47 PHE HA H 4.81 0.01 1 344 . 47 PHE HB2 H 1.09 0.01 1 345 . 47 PHE HB3 H 1.53 0.01 1 346 . 47 PHE HD1 H 6.57 0.01 1 347 . 47 PHE HD2 H 6.57 0.01 1 348 . 47 PHE HE1 H 6.89 0.01 1 349 . 47 PHE HE2 H 6.89 0.01 1 350 . 47 PHE HZ H 6.46 0.01 1 351 . 47 PHE N N 130.0 0.1 1 352 . 48 THR H H 8.35 0.01 1 353 . 48 THR HA H 4.77 0.01 1 354 . 48 THR HB H 3.82 0.01 1 355 . 48 THR HG2 H 0.98 0.01 1 356 . 48 THR N N 118.5 0.1 1 357 . 49 VAL H H 9.57 0.01 1 358 . 49 VAL HA H 4.75 0.01 1 359 . 49 VAL HB H 2.05 0.01 1 360 . 49 VAL HG1 H 0.84 0.01 1 361 . 49 VAL HG2 H 0.84 0.01 1 362 . 49 VAL N N 131.3 0.1 1 363 . 50 LYS H H 9.14 0.01 1 364 . 50 LYS HA H 4.94 0.01 1 365 . 50 LYS HB2 H 1.78 0.01 1 366 . 50 LYS HB3 H 1.94 0.01 1 367 . 50 LYS HG2 H 1.30 0.01 1 368 . 50 LYS HG3 H 1.43 0.01 1 369 . 50 LYS HD2 H 1.65 0.01 1 370 . 50 LYS HD3 H 1.65 0.01 1 371 . 50 LYS HE2 H 2.90 0.01 1 372 . 50 LYS HE3 H 2.90 0.01 1 373 . 50 LYS N N 130.7 0.1 1 374 . 51 GLU H H 9.05 0.01 1 375 . 51 GLU HA H 4.96 0.01 1 376 . 51 GLU HB2 H 2.07 0.01 1 377 . 51 GLU HB3 H 1.93 0.01 1 378 . 51 GLU HG2 H 2.29 0.01 1 379 . 51 GLU HG3 H 2.01 0.01 1 380 . 51 GLU N N 133.3 0.1 1 381 . 52 SER H H 8.96 0.01 1 382 . 52 SER HA H 5.50 0.01 1 383 . 52 SER HB2 H 3.82 0.01 1 384 . 52 SER HB3 H 3.90 0.01 1 385 . 52 SER N N 125.3 0.1 1 386 . 53 SER H H 9.06 0.01 1 387 . 53 SER HA H 4.98 0.01 1 388 . 53 SER HB2 H 3.59 0.01 1 389 . 53 SER HB3 H 2.85 0.01 1 390 . 53 SER N N 124.5 0.1 1 391 . 54 ALA H H 9.12 0.01 1 392 . 54 ALA HA H 4.07 0.01 1 393 . 54 ALA HB H 1.04 0.01 1 394 . 54 ALA N N 123.2 0.1 1 395 . 55 PHE H H 8.06 0.01 1 396 . 55 PHE HA H 4.46 0.01 1 397 . 55 PHE HB2 H 2.66 0.01 1 398 . 55 PHE HB3 H 3.24 0.01 1 399 . 55 PHE HD1 H 7.29 0.01 1 400 . 55 PHE HD2 H 7.29 0.01 1 401 . 55 PHE HE1 H 7.22 0.01 1 402 . 55 PHE HE2 H 7.22 0.01 1 403 . 55 PHE HZ H 7.14 0.01 1 404 . 55 PHE N N 114.8 0.1 1 405 . 56 ARG H H 7.42 0.01 1 406 . 56 ARG HA H 4.67 0.01 1 407 . 56 ARG HB2 H 1.73 0.01 1 408 . 56 ARG HB3 H 2.20 0.01 1 409 . 56 ARG HG2 H 1.55 0.01 1 410 . 56 ARG HG3 H 1.24 0.01 1 411 . 56 ARG HD2 H 2.95 0.01 1 412 . 56 ARG HD3 H 2.95 0.01 1 413 . 56 ARG HE H 6.69 0.01 1 414 . 56 ARG N N 115.7 0.1 1 415 . 56 ARG NE N 86.8 0.1 1 416 . 57 ASN H H 8.34 0.01 1 417 . 57 ASN HA H 5.91 0.01 1 418 . 57 ASN HB2 H 2.75 0.01 1 419 . 57 ASN HB3 H 2.75 0.01 1 420 . 57 ASN HD21 H 7.48 0.01 1 421 . 57 ASN HD22 H 6.82 0.01 1 422 . 57 ASN N N 121.7 0.1 1 423 . 57 ASN ND2 N 116.3 0.1 1 424 . 58 ILE H H 8.93 0.01 1 425 . 58 ILE HA H 4.88 0.01 1 426 . 58 ILE HB H 1.93 0.01 1 427 . 58 ILE HG12 H 1.52 0.01 1 428 . 58 ILE HG13 H 1.52 0.01 1 429 . 58 ILE HG2 H 0.89 0.01 1 430 . 58 ILE HD1 H 0.89 0.01 1 431 . 58 ILE N N 120.4 0.1 1 432 . 59 GLU H H 8.41 0.01 1 433 . 59 GLU HA H 5.28 0.01 1 434 . 59 GLU HB2 H 1.94 0.01 1 435 . 59 GLU HB3 H 1.94 0.01 1 436 . 59 GLU HG2 H 2.04 0.01 1 437 . 59 GLU HG3 H 2.04 0.01 1 438 . 59 GLU N N 126.7 0.1 1 439 . 60 VAL H H 9.42 0.01 1 440 . 60 VAL HA H 4.44 0.01 1 441 . 60 VAL HB H 2.21 0.01 1 442 . 60 VAL HG1 H 1.17 0.01 1 443 . 60 VAL HG2 H 1.21 0.01 1 444 . 60 VAL N N 130.9 0.1 1 445 . 61 VAL H H 8.10 0.01 1 446 . 61 VAL HA H 5.10 0.01 1 447 . 61 VAL HB H 1.85 0.01 1 448 . 61 VAL HG1 H 0.79 0.01 1 449 . 61 VAL HG2 H 0.92 0.01 1 450 . 61 VAL N N 128.9 0.1 1 451 . 62 PHE H H 8.42 0.01 1 452 . 62 PHE HA H 4.85 0.01 1 453 . 62 PHE HB2 H 2.77 0.01 1 454 . 62 PHE HB3 H 1.53 0.01 1 455 . 62 PHE HD1 H 6.46 0.01 1 456 . 62 PHE HD2 H 6.46 0.01 1 457 . 62 PHE HE1 H 5.39 0.01 1 458 . 62 PHE HE2 H 5.39 0.01 1 459 . 62 PHE HZ H 6.41 0.01 1 460 . 62 PHE N N 125.1 0.1 1 461 . 63 GLU H H 9.46 0.01 1 462 . 63 GLU HA H 5.31 0.01 1 463 . 63 GLU HB2 H 1.94 0.01 1 464 . 63 GLU HB3 H 1.82 0.01 1 465 . 63 GLU HG2 H 2.20 0.01 1 466 . 63 GLU HG3 H 2.20 0.01 1 467 . 63 GLU N N 123.8 0.1 1 468 . 64 LEU H H 8.78 0.01 1 469 . 64 LEU HA H 4.46 0.01 1 470 . 64 LEU HB2 H 2.00 0.01 1 471 . 64 LEU HB3 H 2.00 0.01 1 472 . 64 LEU HG H 1.09 0.01 9 473 . 64 LEU HD1 H 1.17 0.01 1 474 . 64 LEU HD2 H 0.73 0.01 1 475 . 64 LEU N N 128.1 0.1 1 476 . 65 GLY H H 9.21 0.01 1 477 . 65 GLY HA2 H 4.25 0.01 1 478 . 65 GLY HA3 H 3.62 0.01 1 479 . 65 GLY N N 112.1 0.1 1 480 . 66 VAL H H 7.94 0.01 1 481 . 66 VAL HA H 4.34 0.01 1 482 . 66 VAL HB H 2.34 0.01 1 483 . 66 VAL HG1 H 1.12 0.01 1 484 . 66 VAL HG2 H 0.90 0.01 1 485 . 66 VAL N N 125.8 0.1 1 486 . 67 THR H H 8.67 0.01 1 487 . 67 THR HA H 4.31 0.01 1 488 . 67 THR HB H 3.87 0.01 1 489 . 67 THR HG2 H 1.07 0.01 1 490 . 67 THR N N 132.8 0.1 1 491 . 68 PHE H H 9.51 0.01 1 492 . 68 PHE HA H 5.11 0.01 1 493 . 68 PHE HB2 H 3.38 0.01 1 494 . 68 PHE HB3 H 3.50 0.01 1 495 . 68 PHE HD1 H 7.61 0.01 1 496 . 68 PHE HD2 H 7.61 0.01 1 497 . 68 PHE HE1 H 6.99 0.01 1 498 . 68 PHE HE2 H 6.99 0.01 1 499 . 68 PHE HZ H 6.84 0.01 1 500 . 68 PHE N N 129.1 0.1 1 501 . 69 ASN H H 8.33 0.01 1 502 . 69 ASN HA H 5.61 0.01 1 503 . 69 ASN HB2 H 2.74 0.01 1 504 . 69 ASN HB3 H 2.74 0.01 1 505 . 69 ASN HD21 H 7.34 0.01 2 506 . 69 ASN HD22 H 6.67 0.01 2 507 . 69 ASN N N 120.0 0.1 1 508 . 69 ASN ND2 N 114.5 0.1 1 509 . 70 TYR H H 8.87 0.01 1 510 . 70 TYR HA H 4.67 0.01 1 511 . 70 TYR HB2 H 3.01 0.01 1 512 . 70 TYR HB3 H 2.09 0.01 1 513 . 70 TYR HD1 H 6.77 0.01 1 514 . 70 TYR HD2 H 6.77 0.01 1 515 . 70 TYR HE1 H 6.55 0.01 1 516 . 70 TYR HE2 H 6.55 0.01 1 517 . 70 TYR N N 126.4 0.1 1 518 . 71 ASN H H 7.69 0.01 1 519 . 71 ASN HA H 5.28 0.01 1 520 . 71 ASN HB2 H 2.23 0.01 1 521 . 71 ASN HB3 H 2.23 0.01 1 522 . 71 ASN N N 127.7 0.1 1 523 . 72 LEU H H 8.93 0.01 1 524 . 72 LEU HA H 3.97 0.01 1 525 . 72 LEU HB2 H 2.06 0.01 1 526 . 72 LEU HB3 H 2.06 0.01 1 527 . 72 LEU HG H 1.39 0.01 1 528 . 72 LEU HD1 H 0.83 0.01 1 529 . 72 LEU HD2 H 0.66 0.01 1 530 . 72 LEU N N 125.2 0.1 1 531 . 73 ALA H H 8.88 0.01 1 532 . 73 ALA HA H 3.73 0.01 1 533 . 73 ALA HB H 0.82 0.01 1 534 . 73 ALA N N 124.7 0.1 1 535 . 74 ASP H H 7.10 0.01 1 536 . 74 ASP HA H 4.31 0.01 1 537 . 74 ASP HB2 H 2.94 0.01 1 538 . 74 ASP HB3 H 1.96 0.01 1 539 . 74 ASP N N 117.1 0.1 1 540 . 75 GLY H H 7.85 0.01 1 541 . 75 GLY HA2 H 3.43 0.01 1 542 . 75 GLY HA3 H 4.29 0.01 1 543 . 75 GLY N N 112.1 0.1 1 544 . 76 THR H H 7.73 0.01 1 545 . 76 THR HA H 3.73 0.01 1 546 . 76 THR HB H 3.84 0.01 1 547 . 76 THR HG2 H 0.94 0.01 1 548 . 76 THR N N 123.2 0.1 1 549 . 77 GLU H H 8.61 0.01 1 550 . 77 GLU HA H 4.63 0.01 1 551 . 77 GLU HB2 H 1.85 0.01 1 552 . 77 GLU HB3 H 1.85 0.01 1 553 . 77 GLU HG2 H 2.11 0.01 1 554 . 77 GLU HG3 H 2.11 0.01 1 555 . 77 GLU N N 133.1 0.1 1 556 . 78 LEU H H 9.20 0.01 1 557 . 78 LEU HA H 5.26 0.01 1 558 . 78 LEU HB2 H 1.70 0.01 1 559 . 78 LEU HB3 H 1.25 0.01 1 560 . 78 LEU HG H 1.53 0.01 1 561 . 78 LEU HD1 H 0.50 0.01 1 562 . 78 LEU HD2 H 0.60 0.01 1 563 . 78 LEU N N 128.5 0.1 1 564 . 79 ARG H H 8.50 0.01 1 565 . 79 ARG HA H 5.36 0.01 1 566 . 79 ARG HB2 H 1.51 0.01 1 567 . 79 ARG HB3 H 1.51 0.01 1 568 . 79 ARG HG2 H 1.25 0.01 1 569 . 79 ARG HG3 H 1.25 0.01 1 570 . 79 ARG HD2 H 3.11 0.01 2 571 . 79 ARG HD3 H 3.04 0.01 2 572 . 79 ARG HE H 7.18 0.01 1 573 . 79 ARG N N 122.6 0.1 1 574 . 80 GLY H H 8.81 0.01 1 575 . 80 GLY HA2 H 4.04 0.01 1 576 . 80 GLY HA3 H 3.81 0.01 1 577 . 80 GLY N N 118.3 0.1 1 578 . 81 THR H H 6.74 0.01 1 579 . 81 THR HA H 4.54 0.01 1 580 . 81 THR HB H 3.69 0.01 1 581 . 81 THR HG2 H 0.86 0.01 1 582 . 81 THR N N 109.6 0.1 1 583 . 82 TRP H H 9.07 0.01 1 584 . 82 TRP HA H 5.29 0.01 1 585 . 82 TRP HB2 H 2.46 0.01 1 586 . 82 TRP HB3 H 2.46 0.01 1 587 . 82 TRP HD1 H 4.92 0.01 1 588 . 82 TRP HE1 H 10.37 0.01 1 589 . 82 TRP HE3 H 7.02 0.01 1 590 . 82 TRP HZ2 H 6.70 0.01 1 591 . 82 TRP HZ3 H 6.72 0.01 1 592 . 82 TRP HH2 H 6.51 0.01 1 593 . 82 TRP N N 124.0 0.1 1 594 . 82 TRP NE1 N 134.5 0.1 1 595 . 83 SER H H 9.02 0.01 1 596 . 83 SER HA H 4.77 0.01 1 597 . 83 SER HB2 H 3.69 0.01 2 598 . 83 SER HB3 H 3.82 0.01 2 599 . 83 SER N N 118.9 0.1 1 600 . 84 LEU H H 8.78 0.01 1 601 . 84 LEU HA H 5.17 0.01 1 602 . 84 LEU HB2 H 1.35 0.01 1 603 . 84 LEU HB3 H 1.85 0.01 1 604 . 84 LEU HG H 1.50 0.01 1 605 . 84 LEU HD1 H 0.88 0.01 1 606 . 84 LEU HD2 H 0.95 0.01 1 607 . 84 LEU N N 129.5 0.1 1 608 . 85 GLU H H 8.93 0.01 1 609 . 85 GLU HA H 4.58 0.01 1 610 . 85 GLU HB2 H 1.81 0.01 1 611 . 85 GLU HB3 H 1.95 0.01 1 612 . 85 GLU HG2 H 2.11 0.01 1 613 . 85 GLU HG3 H 2.11 0.01 1 614 . 85 GLU N N 131.4 0.1 1 615 . 86 GLY H H 8.93 0.01 1 616 . 86 GLY HA2 H 3.64 0.01 1 617 . 86 GLY HA3 H 3.97 0.01 1 618 . 87 ASN H H 8.68 0.01 1 619 . 87 ASN HA H 4.76 0.01 1 620 . 87 ASN HB2 H 2.93 0.01 1 621 . 87 ASN HB3 H 2.84 0.01 1 622 . 87 ASN HD21 H 7.48 0.01 1 623 . 87 ASN HD22 H 6.86 0.01 1 624 . 87 ASN N N 126.0 0.1 1 625 . 87 ASN ND2 N 115.8 0.1 1 626 . 88 LYS H H 7.99 0.01 1 627 . 88 LYS HA H 4.96 0.01 1 628 . 88 LYS HB2 H 1.89 0.01 1 629 . 88 LYS HB3 H 1.66 0.01 1 630 . 88 LYS HG2 H 1.30 0.01 1 631 . 88 LYS HG3 H 1.53 0.01 1 632 . 88 LYS HD2 H 1.56 0.01 1 633 . 88 LYS HD3 H 1.56 0.01 1 634 . 88 LYS HE2 H 2.93 0.01 1 635 . 88 LYS HE3 H 2.93 0.01 1 636 . 88 LYS N N 122.1 0.1 1 637 . 89 LEU H H 8.49 0.01 1 638 . 89 LEU HA H 4.99 0.01 1 639 . 89 LEU HB2 H 0.76 0.01 1 640 . 89 LEU HB3 H 1.08 0.01 1 641 . 89 LEU HG H 0.94 0.01 1 642 . 89 LEU HD1 H -0.48 0.01 1 643 . 89 LEU HD2 H -0.33 0.01 1 644 . 89 LEU N N 127.1 0.1 1 645 . 90 ILE H H 9.57 0.01 1 646 . 90 ILE HA H 4.65 0.01 1 647 . 90 ILE HB H 1.93 0.01 1 648 . 90 ILE HG12 H 1.32 0.01 1 649 . 90 ILE HG13 H 1.46 0.01 1 650 . 90 ILE HG2 H 0.84 0.01 1 651 . 90 ILE HD1 H 0.82 0.01 1 652 . 90 ILE N N 128.5 0.1 1 653 . 91 GLY H H 9.78 0.01 1 654 . 91 GLY HA2 H 2.29 0.01 1 655 . 91 GLY HA3 H 4.72 0.01 1 656 . 91 GLY N N 125.2 0.1 1 657 . 92 LYS H H 7.70 0.01 1 658 . 92 LYS HA H 4.70 0.01 1 659 . 92 LYS HB2 H 1.49 0.01 1 660 . 92 LYS HB3 H 1.40 0.01 1 661 . 92 LYS HG2 H 1.14 0.01 1 662 . 92 LYS HG3 H 1.14 0.01 1 663 . 92 LYS HD2 H 1.53 0.01 1 664 . 92 LYS HD3 H 1.53 0.01 1 665 . 92 LYS HE2 H 2.82 0.01 1 666 . 92 LYS HE3 H 2.82 0.01 1 667 . 92 LYS N N 131.0 0.1 1 668 . 93 PHE H H 8.39 0.01 1 669 . 93 PHE HA H 5.03 0.01 1 670 . 93 PHE HB2 H 2.86 0.01 1 671 . 93 PHE HB3 H 2.60 0.01 1 672 . 93 PHE HD1 H 6.25 0.01 1 673 . 93 PHE HD2 H 6.25 0.01 1 674 . 93 PHE HE1 H 5.56 0.01 1 675 . 93 PHE HE2 H 5.56 0.01 1 676 . 93 PHE HZ H 5.60 0.01 1 677 . 93 PHE N N 126.2 0.1 1 678 . 94 LYS H H 8.84 0.01 1 679 . 94 LYS HA H 5.02 0.01 1 680 . 94 LYS HB2 H 1.55 0.01 1 681 . 94 LYS HB3 H 1.55 0.01 1 682 . 94 LYS HG2 H 1.26 0.01 1 683 . 94 LYS HG3 H 1.26 0.01 1 684 . 94 LYS HD2 H 1.61 0.01 1 685 . 94 LYS HD3 H 1.61 0.01 1 686 . 94 LYS HE2 H 2.92 0.01 1 687 . 94 LYS HE3 H 2.92 0.01 1 688 . 94 LYS N N 124.1 0.1 1 689 . 95 ARG H H 8.68 0.01 1 690 . 95 ARG HA H 4.75 0.01 1 691 . 95 ARG HB2 H 2.08 0.01 1 692 . 95 ARG HB3 H 2.53 0.01 1 693 . 95 ARG HG2 H 1.30 0.01 1 694 . 95 ARG HG3 H 1.75 0.01 1 695 . 95 ARG HD2 H 2.86 0.01 1 696 . 95 ARG HD3 H 2.86 0.01 1 697 . 95 ARG HE H 9.05 0.01 1 698 . 95 ARG N N 126.3 0.1 1 699 . 95 ARG NE N 87.9 0.1 1 700 . 96 THR H H 8.48 0.01 1 701 . 96 THR HA H 4.05 0.01 1 702 . 96 THR HB H 4.28 0.01 1 703 . 96 THR HG2 H 1.09 0.01 1 704 . 96 THR N N 120.6 0.1 1 705 . 97 ASP H H 8.89 0.01 1 706 . 97 ASP HA H 4.33 0.01 1 707 . 97 ASP HB2 H 2.85 0.01 1 708 . 97 ASP HB3 H 2.70 0.01 1 709 . 97 ASP N N 124.3 0.1 1 710 . 98 ASN H H 8.50 0.01 1 711 . 98 ASN HA H 4.72 0.01 1 712 . 98 ASN HB2 H 2.58 0.01 1 713 . 98 ASN HB3 H 3.10 0.01 1 714 . 98 ASN HD21 H 7.47 0.01 1 715 . 98 ASN HD22 H 5.51 0.01 1 716 . 98 ASN N N 119.9 0.1 1 717 . 98 ASN ND2 N 109.6 0.1 1 718 . 99 GLY H H 7.74 0.01 1 719 . 99 GLY HA2 H 3.86 0.01 1 720 . 99 GLY HA3 H 4.09 0.01 1 721 . 99 GLY N N 111.8 0.1 1 722 . 100 ASN H H 8.33 0.01 1 723 . 100 ASN HA H 4.68 0.01 1 724 . 100 ASN HB2 H 2.62 0.01 1 725 . 100 ASN HB3 H 3.00 0.01 1 726 . 100 ASN HD21 H 6.66 0.01 1 727 . 100 ASN HD22 H 6.49 0.01 1 728 . 100 ASN N N 122.8 0.1 1 729 . 100 ASN ND2 N 110.5 0.1 1 730 . 101 GLU H H 8.59 0.01 1 731 . 101 GLU HA H 4.78 0.01 1 732 . 101 GLU HB2 H 1.98 0.01 1 733 . 101 GLU HB3 H 1.98 0.01 1 734 . 101 GLU HG2 H 2.16 0.01 1 735 . 101 GLU HG3 H 2.34 0.01 1 736 . 101 GLU N N 123.2 0.1 1 737 . 102 LEU H H 8.94 0.01 1 738 . 102 LEU HA H 5.14 0.01 1 739 . 102 LEU HB2 H 1.48 0.01 1 740 . 102 LEU HB3 H 1.64 0.01 1 741 . 102 LEU HG H 1.83 0.01 1 742 . 102 LEU HD1 H 0.91 0.01 1 743 . 102 LEU HD2 H 0.76 0.01 1 744 . 102 LEU N N 128.8 0.1 1 745 . 103 ASN H H 8.53 0.01 1 746 . 103 ASN HA H 5.60 0.01 1 747 . 103 ASN HB2 H 2.83 0.01 2 748 . 103 ASN HB3 H 2.53 0.01 2 749 . 103 ASN HD21 H 7.43 0.01 2 750 . 103 ASN HD22 H 7.33 0.01 2 751 . 103 ASN N N 127.5 0.1 1 752 . 103 ASN ND2 N 116.4 0.1 1 753 . 104 THR H H 8.97 0.01 1 754 . 104 THR HA H 5.58 0.01 1 755 . 104 THR HB H 4.03 0.01 1 756 . 104 THR HG2 H 0.74 0.01 1 757 . 104 THR N N 120.7 0.1 1 758 . 105 VAL H H 8.11 0.01 1 759 . 105 VAL HA H 5.40 0.01 1 760 . 105 VAL HB H 1.96 0.01 1 761 . 105 VAL HG1 H 0.93 0.01 1 762 . 105 VAL HG2 H 0.97 0.01 1 763 . 105 VAL N N 130.3 0.1 1 764 . 106 ARG H H 9.37 0.01 1 765 . 106 ARG HA H 5.05 0.01 1 766 . 106 ARG HB2 H 1.18 0.01 1 767 . 106 ARG HB3 H 1.18 0.01 1 768 . 106 ARG HG2 H 1.38 0.01 1 769 . 106 ARG HG3 H 0.98 0.01 1 770 . 106 ARG HD2 H 1.69 0.01 1 771 . 106 ARG HD3 H 1.89 0.01 1 772 . 106 ARG HE H 5.95 0.01 1 773 . 106 ARG N N 128.0 0.1 1 774 . 106 ARG NE N 83.5 0.1 1 775 . 107 GLU H H 8.53 0.01 1 776 . 107 GLU HA H 4.85 0.01 1 777 . 107 GLU HB2 H 1.99 0.01 1 778 . 107 GLU HB3 H 1.83 0.01 1 779 . 107 GLU HG2 H 2.07 0.01 1 780 . 107 GLU HG3 H 2.07 0.01 1 781 . 107 GLU N N 124.3 0.1 1 782 . 108 ILE H H 8.77 0.01 1 783 . 108 ILE HA H 4.79 0.01 1 784 . 108 ILE HB H 1.64 0.01 1 785 . 108 ILE HG12 H 1.10 0.01 1 786 . 108 ILE HG13 H 1.10 0.01 1 787 . 108 ILE HG2 H 0.73 0.01 1 788 . 108 ILE HD1 H 0.48 0.01 1 789 . 108 ILE N N 128.3 0.1 1 790 . 109 ILE H H 8.88 0.01 1 791 . 109 ILE HA H 4.21 0.01 1 792 . 109 ILE HB H 1.69 0.01 1 793 . 109 ILE HG12 H 1.32 0.01 2 794 . 109 ILE HG13 H 0.95 0.01 2 795 . 109 ILE HG2 H 0.82 0.01 1 796 . 109 ILE HD1 H 0.73 0.01 1 797 . 109 ILE N N 133.5 0.1 1 798 . 110 GLY H H 8.95 0.01 1 799 . 110 GLY HA2 H 3.63 0.01 1 800 . 110 GLY HA3 H 3.99 0.01 1 801 . 110 GLY N N 122.7 0.1 1 802 . 111 ASP H H 8.63 0.01 1 803 . 111 ASP HA H 4.73 0.01 1 804 . 111 ASP HB2 H 2.76 0.01 1 805 . 111 ASP HB3 H 2.86 0.01 1 806 . 111 ASP N N 127.8 0.1 1 807 . 112 GLU H H 7.90 0.01 1 808 . 112 GLU HA H 5.12 0.01 1 809 . 112 GLU HB2 H 1.98 0.01 1 810 . 112 GLU HB3 H 1.98 0.01 1 811 . 112 GLU HG2 H 2.20 0.01 1 812 . 112 GLU HG3 H 2.45 0.01 1 813 . 112 GLU N N 122.1 0.1 1 814 . 113 LEU H H 7.87 0.01 1 815 . 113 LEU HA H 4.33 0.01 1 816 . 113 LEU HB2 H -0.85 0.01 1 817 . 113 LEU HB3 H 0.66 0.01 1 818 . 113 LEU HG H 0.74 0.01 1 819 . 113 LEU HD1 H 0.02 0.01 1 820 . 113 LEU HD2 H -0.52 0.01 1 821 . 113 LEU N N 127.4 0.1 1 822 . 114 VAL H H 9.26 0.01 1 823 . 114 VAL HA H 4.51 0.01 1 824 . 114 VAL HB H 2.00 0.01 1 825 . 114 VAL HG1 H 0.79 0.01 1 826 . 114 VAL HG2 H 0.93 0.01 1 827 . 114 VAL N N 132.0 0.1 1 828 . 115 GLN H H 9.34 0.01 1 829 . 115 GLN HA H 5.70 0.01 1 830 . 115 GLN HB2 H 1.55 0.01 1 831 . 115 GLN HB3 H 1.95 0.01 1 832 . 115 GLN HG2 H 2.17 0.01 1 833 . 115 GLN HG3 H 2.17 0.01 1 834 . 115 GLN HE21 H 6.92 0.01 1 835 . 115 GLN HE22 H 6.83 0.01 1 836 . 115 GLN N N 133.6 0.1 1 837 . 115 GLN NE2 N 113.8 0.1 1 838 . 116 THR H H 8.72 0.01 1 839 . 116 THR HA H 4.91 0.01 1 840 . 116 THR HB H 3.88 0.01 1 841 . 116 THR HG2 H 1.13 0.01 1 842 . 116 THR N N 124.2 0.1 1 843 . 117 TYR H H 9.27 0.01 1 844 . 117 TYR HA H 5.16 0.01 1 845 . 117 TYR HB2 H 1.83 0.01 1 846 . 117 TYR HB3 H 2.47 0.01 1 847 . 117 TYR HD1 H 6.95 0.01 1 848 . 117 TYR HD2 H 6.95 0.01 1 849 . 117 TYR HE1 H 6.75 0.01 1 850 . 117 TYR HE2 H 6.75 0.01 1 851 . 117 TYR N N 129.6 0.1 1 852 . 118 VAL H H 9.14 0.01 1 853 . 118 VAL HA H 5.31 0.01 1 854 . 118 VAL HB H 2.03 0.01 1 855 . 118 VAL HG1 H 0.91 0.01 1 856 . 118 VAL HG2 H 0.91 0.01 1 857 . 118 VAL N N 124.1 0.1 1 858 . 119 TYR H H 8.96 0.01 1 859 . 119 TYR HA H 4.84 0.01 1 860 . 119 TYR HB2 H 2.56 0.01 1 861 . 119 TYR HB3 H 3.02 0.01 1 862 . 119 TYR HD1 H 6.88 0.01 1 863 . 119 TYR HD2 H 6.88 0.01 1 864 . 119 TYR HE1 H 6.50 0.01 1 865 . 119 TYR HE2 H 6.50 0.01 1 866 . 119 TYR N N 131.4 0.1 1 867 . 120 GLU H H 9.43 0.01 1 868 . 120 GLU HA H 3.40 0.01 1 869 . 120 GLU HB2 H 1.31 0.01 1 870 . 120 GLU HB3 H 1.91 0.01 1 871 . 120 GLU HG2 H 0.75 0.01 1 872 . 120 GLU HG3 H 1.42 0.01 1 873 . 120 GLU N N 129.7 0.1 1 874 . 121 GLY H H 8.25 0.01 1 875 . 121 GLY HA2 H 4.05 0.01 1 876 . 121 GLY HA3 H 3.50 0.01 1 877 . 121 GLY N N 105.7 0.1 1 878 . 122 VAL H H 8.27 0.01 1 879 . 122 VAL HA H 4.16 0.01 1 880 . 122 VAL HB H 2.34 0.01 1 881 . 122 VAL HG1 H 0.96 0.01 1 882 . 122 VAL HG2 H 0.96 0.01 1 883 . 122 VAL N N 126.9 0.1 1 884 . 123 GLU H H 8.46 0.01 1 885 . 123 GLU HA H 5.67 0.01 1 886 . 123 GLU HB2 H 1.94 0.01 1 887 . 123 GLU HB3 H 1.99 0.01 1 888 . 123 GLU HG2 H 2.16 0.01 1 889 . 123 GLU HG3 H 2.16 0.01 1 890 . 123 GLU N N 130.6 0.1 1 891 . 124 ALA H H 9.20 0.01 1 892 . 124 ALA HA H 5.07 0.01 1 893 . 124 ALA HB H 1.33 0.01 1 894 . 124 ALA N N 129.8 0.1 1 895 . 125 LYS H H 8.58 0.01 1 896 . 125 LYS HA H 5.47 0.01 1 897 . 125 LYS HB2 H 1.44 0.01 1 898 . 125 LYS HB3 H 1.44 0.01 1 899 . 125 LYS HG2 H 1.26 0.01 1 900 . 125 LYS HG3 H 1.40 0.01 1 901 . 125 LYS HD2 H 1.52 0.01 1 902 . 125 LYS HD3 H 1.52 0.01 1 903 . 125 LYS HE2 H 2.77 0.01 1 904 . 125 LYS HE3 H 2.77 0.01 1 905 . 125 LYS N N 119.3 0.1 1 906 . 126 ARG H H 9.14 0.01 1 907 . 126 ARG HA H 4.73 0.01 1 908 . 126 ARG HB2 H 1.61 0.01 1 909 . 126 ARG HB3 H 1.61 0.01 1 910 . 126 ARG HG2 H 1.44 0.01 1 911 . 126 ARG HG3 H 1.30 0.01 1 912 . 126 ARG HD2 H 2.40 0.01 1 913 . 126 ARG HD3 H 2.17 0.01 1 914 . 126 ARG HE H 6.03 0.01 1 915 . 126 ARG N N 123.2 0.1 1 916 . 126 ARG NE N 86.4 0.1 1 917 . 127 ILE H H 8.69 0.01 1 918 . 127 ILE HA H 4.95 0.01 1 919 . 127 ILE HB H 1.62 0.01 1 920 . 127 ILE HG12 H 1.14 0.01 1 921 . 127 ILE HG13 H 1.32 0.01 1 922 . 127 ILE HG2 H 0.89 0.01 1 923 . 127 ILE HD1 H 0.75 0.01 1 924 . 127 ILE N N 126.7 0.1 1 925 . 128 PHE H H 10.02 0.01 1 926 . 128 PHE HA H 5.22 0.01 1 927 . 128 PHE HB2 H 3.23 0.01 1 928 . 128 PHE HB3 H 3.09 0.01 1 929 . 128 PHE HD1 H 7.11 0.01 1 930 . 128 PHE HD2 H 7.11 0.01 1 931 . 128 PHE HE1 H 6.97 0.01 1 932 . 128 PHE HE2 H 6.97 0.01 1 933 . 128 PHE HZ H 7.08 0.01 1 934 . 128 PHE N N 130.2 0.1 1 935 . 129 LYS H H 8.89 0.01 1 936 . 129 LYS HA H 5.29 0.01 1 937 . 129 LYS HB2 H 2.07 0.01 1 938 . 129 LYS HB3 H 1.89 0.01 1 939 . 129 LYS HG2 H 1.50 0.01 1 940 . 129 LYS HG3 H 1.50 0.01 1 941 . 129 LYS HD2 H 1.75 0.01 1 942 . 129 LYS HD3 H 1.75 0.01 1 943 . 129 LYS HE2 H 3.04 0.01 1 944 . 129 LYS HE3 H 3.04 0.01 1 945 . 129 LYS N N 122.4 0.1 1 946 . 130 LYS H H 8.99 0.01 1 947 . 130 LYS HA H 4.12 0.01 1 948 . 130 LYS HB2 H 1.47 0.01 1 949 . 130 LYS HB3 H 1.47 0.01 1 950 . 130 LYS HG2 H 0.74 0.01 1 951 . 130 LYS HG3 H 1.00 0.01 1 952 . 130 LYS HD2 H 1.31 0.01 1 953 . 130 LYS HD3 H 1.40 0.01 1 954 . 130 LYS HE2 H 2.72 0.01 1 955 . 130 LYS HE3 H 2.81 0.01 1 956 . 130 LYS N N 127.1 0.1 1 957 . 131 ASP H H 8.09 0.01 1 958 . 131 ASP HA H 4.47 0.01 1 959 . 131 ASP HB2 H 2.16 0.01 1 960 . 131 ASP HB3 H 2.34 0.01 1 961 . 131 ASP N N 133.9 0.1 1 stop_ save_