data_5128 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; GABARAP, GABAA receptor associated protein ; _BMRB_accession_number 5128 _BMRB_flat_file_name bmr5128.str _Entry_type original _Submission_date 2001-08-31 _Accession_date 2001-08-31 _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 Kouno Takahide . . 2 Miura Kazunori . . 3 Kanematsu Takashi . . 4 Shirakawa Masahiro . . 5 Hirata Masato . . 6 Kawano Keiichi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 556 "13C chemical shifts" 199 "15N chemical shifts" 97 "coupling constants" 59 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-04-08 original author . stop_ _Original_release_date 2002-04-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N Resonance Assignments of GABARAP, GABAA Receptor Associated Protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21882795 _PubMed_ID 11885988 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kouno Takahide . . 2 Miura Kazunori . . 3 Kanematsu Takashi . . 4 Shirakawa Masahiro . . 5 Hirata Masato . . 6 Kawano Keiichi . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 22 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 97 _Page_last 98 _Year 2002 _Details . loop_ _Keyword 'GABAA receptor associated protein' 'GABAAR g2 subunit' GABARAP 'heteronuclear NMR' 'intracellular trafficking' 'resonance assignments' stop_ save_ ################################## # Molecular system description # ################################## save_system_GABARAP _Saveframe_category molecular_system _Mol_system_name 'GABARAP monomer' _Abbreviation_common GABARAP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GABARAP $GABARAP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GABARAP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'GABAA receptor associated protein' _Abbreviation_common GABARAP _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 117 _Mol_residue_sequence ; MKFVYKEEHPFEKRRSEGEK IRKKYPDRVPVIVEKAPKAR IGDLDKKKYLVPSDLTVGQF YFLIRKRIHLRAEDALFFFV NNVIPPTSATMGQLYQEHHE EDFFLYIAYSDESVYGL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 PHE 4 VAL 5 TYR 6 LYS 7 GLU 8 GLU 9 HIS 10 PRO 11 PHE 12 GLU 13 LYS 14 ARG 15 ARG 16 SER 17 GLU 18 GLY 19 GLU 20 LYS 21 ILE 22 ARG 23 LYS 24 LYS 25 TYR 26 PRO 27 ASP 28 ARG 29 VAL 30 PRO 31 VAL 32 ILE 33 VAL 34 GLU 35 LYS 36 ALA 37 PRO 38 LYS 39 ALA 40 ARG 41 ILE 42 GLY 43 ASP 44 LEU 45 ASP 46 LYS 47 LYS 48 LYS 49 TYR 50 LEU 51 VAL 52 PRO 53 SER 54 ASP 55 LEU 56 THR 57 VAL 58 GLY 59 GLN 60 PHE 61 TYR 62 PHE 63 LEU 64 ILE 65 ARG 66 LYS 67 ARG 68 ILE 69 HIS 70 LEU 71 ARG 72 ALA 73 GLU 74 ASP 75 ALA 76 LEU 77 PHE 78 PHE 79 PHE 80 VAL 81 ASN 82 ASN 83 VAL 84 ILE 85 PRO 86 PRO 87 THR 88 SER 89 ALA 90 THR 91 MET 92 GLY 93 GLN 94 LEU 95 TYR 96 GLN 97 GLU 98 HIS 99 HIS 100 GLU 101 GLU 102 ASP 103 PHE 104 PHE 105 LEU 106 TYR 107 ILE 108 ALA 109 TYR 110 SER 111 ASP 112 GLU 113 SER 114 VAL 115 TYR 116 GLY 117 LEU 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 5058 GABARAP 100.00 119 100.00 100.00 2.37e-78 BMRB 5064 GABARAP 100.00 136 100.00 100.00 3.15e-78 PDB 1GNU "Gaba(a) Receptor Associated Protein Gabarap" 100.00 117 100.00 100.00 2.89e-78 PDB 1KJT "Crystal Structure Of The Gaba(A) Receptor Associated Protein, Gabarap" 100.00 119 100.00 100.00 1.76e-78 PDB 1KLV "Solution Structure And Backbone Dynamics Of Gabarap, Gabaa Receptor Associated Protein" 100.00 117 100.00 100.00 2.89e-78 PDB 1KM7 "Solution Structure And Backbone Dynamics Of Gabarap, Gabaa Receptor Associated Protein" 100.00 117 100.00 100.00 2.89e-78 PDB 1KOT "Solution Structure Of Human Gaba Receptor Associated Protein Gabarap" 100.00 119 100.00 100.00 2.37e-78 PDB 3D32 "Complex Of Gaba(a) Receptor-associated Protein (gabarap) With A Synthetic Peptide" 100.00 119 100.00 100.00 2.37e-78 PDB 3DOW "Complex Structure Of Gaba Type A Receptor Associated Protein And Its Binding Epitope On Calreticulin" 100.00 119 100.00 100.00 2.37e-78 PDB 3WIM "Gabarap-lir Peptide Complex" 100.00 117 100.00 100.00 2.89e-78 DBJ BAB21549 "MAP1 light chain 3 related protein [Homo sapiens]" 100.00 117 100.00 100.00 2.89e-78 DBJ BAB22426 "unnamed protein product [Mus musculus]" 100.00 117 99.15 100.00 1.11e-77 DBJ BAB27806 "unnamed protein product [Mus musculus]" 100.00 117 100.00 100.00 2.89e-78 DBJ BAG35138 "unnamed protein product [Homo sapiens]" 100.00 117 99.15 100.00 5.94e-78 EMBL CAG00707 "unnamed protein product, partial [Tetraodon nigroviridis]" 99.15 116 98.28 98.28 1.64e-75 EMBL CAG33324 "GABARAP [Homo sapiens]" 100.00 117 100.00 100.00 2.89e-78 EMBL CAG47031 "GABARAP [Homo sapiens]" 100.00 117 100.00 100.00 2.89e-78 EMBL CAP17839 "GABAA receptor-associated protein 1 [Carassius carassius]" 81.20 95 100.00 100.00 2.52e-61 EMBL CAP17840 "GABAA receptor-associated protein 2 [Carassius carassius]" 52.99 62 98.39 98.39 1.56e-34 GB AAD02337 "MM46 [Homo sapiens]" 100.00 117 100.00 100.00 2.89e-78 GB AAD32455 "ganglioside expression factor 2 homolog [Homo sapiens]" 100.00 117 100.00 100.00 2.89e-78 GB AAD47641 "GABA-A receptor-associated protein [Homo sapiens]" 100.00 117 100.00 100.00 2.89e-78 GB AAD47642 "GABA-A receptor-associated protein [Mus musculus]" 100.00 117 100.00 100.00 2.89e-78 GB AAD47643 "GABA-A receptor-associated protein [Rattus norvegicus]" 100.00 117 100.00 100.00 2.89e-78 REF NP_001011192 "GABA(A) receptor-associated protein like 1 [Xenopus (Silurana) tropicalis]" 100.00 117 100.00 100.00 2.89e-78 REF NP_001013278 "GABA(A) receptor-associated protein [Danio rerio]" 99.15 122 98.28 99.14 5.85e-76 REF NP_001029220 "gamma-aminobutyric acid receptor-associated protein [Bos taurus]" 100.00 117 100.00 100.00 2.89e-78 REF NP_001075611 "gamma-aminobutyric acid receptor-associated protein [Oryctolagus cuniculus]" 100.00 117 100.00 100.00 2.89e-78 REF NP_001084530 "uncharacterized protein LOC414477 [Xenopus laevis]" 100.00 117 98.29 99.15 3.84e-77 SP O95166 "RecName: Full=Gamma-aminobutyric acid receptor-associated protein; AltName: Full=GABA(A) receptor-associated protein; AltName: " 100.00 117 100.00 100.00 2.89e-78 SP P60517 "RecName: Full=Gamma-aminobutyric acid receptor-associated protein; AltName: Full=GABA(A) receptor-associated protein; Flags: Pr" 100.00 117 100.00 100.00 2.89e-78 SP Q8MK68 "RecName: Full=Gamma-aminobutyric acid receptor-associated protein; AltName: Full=GABA(A) receptor-associated protein; Flags: Pr" 100.00 117 100.00 100.00 2.89e-78 SP Q9DCD6 "RecName: Full=Gamma-aminobutyric acid receptor-associated protein; AltName: Full=GABA(A) receptor-associated protein; Flags: Pr" 100.00 117 100.00 100.00 2.89e-78 SP Q9GJW7 "RecName: Full=Gamma-aminobutyric acid receptor-associated protein; AltName: Full=GABA(A) receptor-associated protein; Flags: Pr" 100.00 117 100.00 100.00 2.89e-78 TPG DAA18837 "TPA: gamma-aminobutyric acid receptor-associated protein [Bos taurus]" 100.00 117 100.00 100.00 2.89e-78 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ $GABARAP Human 9606 Eukaryota Metazoa Homo sapiens brain 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 $GABARAP 'recombinant technology' . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $GABARAP 1 mM . . . 'sodium phosphate' 20 mM . . . NaCl 50 mM . . . NaN3 0.02 mM . . . H2O . % 0 90 . D2O . % 10 100 . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $GABARAP 1 mM . . [U-15N] 'sodium phosphate' 20 mM . . . NaCl 50 mM . . . NaN3 0.02 mM . . . H2O . % 0 90 . D2O . % 10 100 . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $GABARAP 1 mM . . '[U-13C; U-15N]' 'sodium phosphate' 20 mM . . . NaCl 50 mM . . . NaN3 0.02 mM . . . H2O . % 0 90 . D2O . % 10 100 . stop_ 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_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label . save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label . save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_3D_1H-1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _Sample_label . save_ save_3D_1H-1H-15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N TOCSY' _Sample_label . save_ save_1H-13C-1H_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C-1H HCCH-TOCSY' _Sample_label . save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C-1H HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-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 298 0.3 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 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name GABARAP _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET H H 8.29 0.07 1 2 . 1 MET HA H 4.08 0.07 1 3 . 1 MET HB2 H 1.62 0.07 4 4 . 1 MET HB3 H 1.62 0.07 4 5 . 1 MET HG2 H 2.04 0.07 4 6 . 1 MET HG3 H 2.04 0.07 4 7 . 1 MET CA C 55.68 0.74 1 8 . 1 MET CB C 33.47 0.74 1 9 . 1 MET N N 121.82 0.43 1 10 . 2 LYS H H 7.96 0.07 1 11 . 2 LYS HA H 4.41 0.07 1 12 . 2 LYS HB2 H 1.54 0.07 4 13 . 2 LYS HB3 H 1.54 0.07 4 14 . 2 LYS HG2 H 1.10 0.07 4 15 . 2 LYS HG3 H 1.10 0.07 4 16 . 2 LYS HD2 H 1.29 0.07 4 17 . 2 LYS HD3 H 1.29 0.07 4 18 . 2 LYS HE2 H 2.76 0.07 4 19 . 2 LYS HE3 H 2.76 0.07 4 20 . 2 LYS CA C 55.34 0.74 1 21 . 2 LYS CB C 33.42 0.74 1 22 . 2 LYS N N 125.22 0.43 1 23 . 3 PHE H H 8.52 0.07 1 24 . 3 PHE HA H 4.64 0.07 1 25 . 3 PHE HB2 H 2.94 0.07 1 26 . 3 PHE HB3 H 2.94 0.07 1 27 . 3 PHE CA C 57.46 0.74 1 28 . 3 PHE CB C 40.34 0.74 1 29 . 3 PHE N N 123.67 0.43 1 30 . 16 SER HA H 4.14 0.07 1 31 . 17 GLU H H 7.61 0.07 1 32 . 17 GLU HA H 3.97 0.07 1 33 . 17 GLU HB2 H 2.20 0.07 4 34 . 17 GLU HB3 H 2.20 0.07 4 35 . 17 GLU HG2 H 2.23 0.07 4 36 . 17 GLU HG3 H 2.23 0.07 4 37 . 17 GLU CA C 59.36 0.74 1 38 . 17 GLU CB C 29.20 0.74 1 39 . 17 GLU N N 121.48 0.43 1 40 . 18 GLY H H 9.39 0.07 1 41 . 18 GLY HA2 H 2.96 0.07 2 42 . 18 GLY HA3 H 3.95 0.07 2 43 . 18 GLY CA C 47.29 0.74 1 44 . 18 GLY N N 109.59 0.43 1 45 . 19 GLU H H 8.55 0.07 1 46 . 19 GLU HA H 3.00 0.07 1 47 . 19 GLU HB2 H 1.78 0.07 4 48 . 19 GLU HB3 H 1.78 0.07 4 49 . 19 GLU HG2 H 1.87 0.07 4 50 . 19 GLU HG3 H 1.87 0.07 4 51 . 19 GLU CA C 59.29 0.74 1 52 . 19 GLU CB C 29.70 0.74 1 53 . 19 GLU N N 120.39 0.43 1 54 . 20 LYS H H 7.27 0.07 1 55 . 20 LYS HA H 3.74 0.07 1 56 . 20 LYS HB2 H 1.82 0.07 4 57 . 20 LYS HB3 H 1.82 0.07 4 58 . 20 LYS HG2 H 1.24 0.07 4 59 . 20 LYS HG3 H 1.24 0.07 4 60 . 20 LYS HD2 H 1.53 0.07 4 61 . 20 LYS HD3 H 1.53 0.07 4 62 . 20 LYS HE2 H 2.78 0.07 4 63 . 20 LYS HE3 H 2.78 0.07 4 64 . 20 LYS CA C 59.59 0.74 1 65 . 20 LYS CB C 32.30 0.74 1 66 . 20 LYS N N 118.24 0.43 1 67 . 21 ILE H H 8.16 0.07 1 68 . 21 ILE HA H 3.67 0.07 1 69 . 21 ILE HB H 1.69 0.07 4 70 . 21 ILE HG12 H 1.08 0.07 4 71 . 21 ILE HG13 H 1.08 0.07 4 72 . 21 ILE HG2 H 1.44 0.07 4 73 . 21 ILE HD1 H 0.76 0.07 4 74 . 21 ILE CA C 64.62 0.74 1 75 . 21 ILE CB C 38.20 0.74 1 76 . 21 ILE N N 121.06 0.43 1 77 . 22 ARG H H 7.63 0.07 1 78 . 22 ARG HA H 3.89 0.07 1 79 . 22 ARG HB2 H 1.52 0.07 4 80 . 22 ARG HB3 H 1.52 0.07 4 81 . 22 ARG HG2 H 0.77 0.07 4 82 . 22 ARG HG3 H 0.77 0.07 4 83 . 22 ARG HD2 H 3.13 0.07 4 84 . 22 ARG HD3 H 3.13 0.07 4 85 . 22 ARG CA C 56.10 0.74 1 86 . 22 ARG CB C 27.88 0.74 1 87 . 22 ARG N N 119.23 0.43 1 88 . 23 LYS H H 7.27 0.07 1 89 . 23 LYS HA H 3.84 0.07 1 90 . 23 LYS HB2 H 1.62 0.07 4 91 . 23 LYS HB3 H 1.62 0.07 4 92 . 23 LYS HG2 H 1.28 0.07 4 93 . 23 LYS HG3 H 1.28 0.07 4 94 . 23 LYS HD2 H 1.28 0.07 4 95 . 23 LYS HD3 H 1.28 0.07 4 96 . 23 LYS HE2 H 2.72 0.07 4 97 . 23 LYS HE3 H 2.72 0.07 4 98 . 23 LYS CA C 57.96 0.74 1 99 . 23 LYS CB C 32.62 0.74 1 100 . 23 LYS N N 116.74 0.43 1 101 . 24 LYS H H 7.57 0.07 1 102 . 24 LYS HA H 3.67 0.07 1 103 . 24 LYS HB2 H 1.33 0.07 4 104 . 24 LYS HB3 H 1.33 0.07 4 105 . 24 LYS HG2 H 0.92 0.07 4 106 . 24 LYS HG3 H 0.92 0.07 4 107 . 24 LYS HD2 H 0.76 0.07 4 108 . 24 LYS HD3 H 0.76 0.07 4 109 . 24 LYS HE2 H 2.64 0.07 4 110 . 24 LYS HE3 H 2.64 0.07 4 111 . 24 LYS CA C 58.15 0.74 1 112 . 24 LYS CB C 33.40 0.74 1 113 . 24 LYS N N 118.74 0.43 1 114 . 25 TYR H H 7.92 0.07 1 115 . 25 TYR HA H 4.98 0.07 1 116 . 25 TYR HB2 H 2.79 0.07 2 117 . 25 TYR HB3 H 2.53 0.07 2 118 . 25 TYR CA C 53.54 0.74 1 119 . 25 TYR CB C 38.32 0.74 1 120 . 25 TYR N N 115.06 0.43 1 121 . 26 PRO HA H 4.33 0.07 1 122 . 26 PRO HB2 H 2.16 0.07 4 123 . 26 PRO HB3 H 2.16 0.07 4 124 . 26 PRO HG2 H 1.80 0.07 4 125 . 26 PRO HG3 H 1.80 0.07 4 126 . 26 PRO HD2 H 3.50 0.07 4 127 . 26 PRO HD3 H 3.50 0.07 4 128 . 26 PRO CA C 64.51 0.74 1 129 . 26 PRO CB C 31.73 0.74 1 130 . 27 ASP H H 8.45 0.07 1 131 . 27 ASP HA H 4.54 0.07 1 132 . 27 ASP HB2 H 2.53 0.07 2 133 . 27 ASP HB3 H 2.75 0.07 2 134 . 27 ASP CA C 52.94 0.74 1 135 . 27 ASP CB C 40.24 0.74 1 136 . 27 ASP N N 115.02 0.43 1 137 . 28 ARG H H 7.69 0.07 1 138 . 28 ARG HA H 4.79 0.07 1 139 . 28 ARG HB2 H 1.29 0.07 4 140 . 28 ARG HB3 H 1.29 0.07 4 141 . 28 ARG HG2 H 1.03 0.07 4 142 . 28 ARG HG3 H 1.03 0.07 4 143 . 28 ARG HD2 H 2.28 0.07 4 144 . 28 ARG HD3 H 2.53 0.07 4 145 . 28 ARG CA C 53.71 0.74 1 146 . 28 ARG CB C 33.98 0.74 1 147 . 28 ARG N N 119.26 0.43 1 148 . 29 VAL H H 9.02 0.07 1 149 . 29 VAL HA H 4.05 0.07 1 150 . 29 VAL HB H 1.30 0.07 4 151 . 29 VAL HG1 H 0.30 0.07 4 152 . 29 VAL CA C 57.08 0.74 1 153 . 29 VAL CB C 33.91 0.74 1 154 . 29 VAL N N 116.24 0.43 1 155 . 30 PRO HA H 5.00 0.07 1 156 . 30 PRO HB2 H 2.39 0.07 4 157 . 30 PRO HB3 H 2.39 0.07 4 158 . 30 PRO HG2 H 2.14 0.07 4 159 . 30 PRO HG3 H 2.14 0.07 4 160 . 30 PRO CA C 60.95 0.74 1 161 . 30 PRO CB C 31.44 0.74 1 162 . 31 VAL H H 8.75 0.07 1 163 . 31 VAL HA H 4.99 0.07 1 164 . 31 VAL HB H 1.60 0.07 4 165 . 31 VAL HG1 H 0.46 0.07 4 166 . 31 VAL HG2 H 0.73 0.07 4 167 . 31 VAL CA C 59.17 0.74 1 168 . 31 VAL CB C 36.10 0.74 1 169 . 31 VAL N N 123.47 0.43 1 170 . 32 ILE H H 8.65 0.07 1 171 . 32 ILE HA H 4.81 0.07 1 172 . 32 ILE HB H 1.14 0.07 4 173 . 32 ILE HG12 H 0.51 0.07 4 174 . 32 ILE HG13 H 0.51 0.07 4 175 . 32 ILE HG2 H 0.54 0.07 4 176 . 32 ILE HD1 H -0.68 0.07 4 177 . 32 ILE CA C 56.82 0.74 1 178 . 32 ILE CB C 36.44 0.74 1 179 . 32 ILE N N 128.09 0.43 1 180 . 33 VAL H H 8.96 0.07 1 181 . 33 VAL HA H 5.62 0.07 1 182 . 33 VAL HB H 1.92 0.07 4 183 . 33 VAL HG1 H 0.72 0.07 4 184 . 33 VAL HG2 H 0.78 0.07 4 185 . 33 VAL CA C 59.80 0.74 1 186 . 33 VAL CB C 33.79 0.74 1 187 . 33 VAL N N 126.57 0.43 1 188 . 34 GLU H H 8.56 0.07 1 189 . 34 GLU HA H 4.85 0.07 1 190 . 34 GLU HB2 H 1.75 0.07 4 191 . 34 GLU HB3 H 1.75 0.07 4 192 . 34 GLU HG2 H 2.48 0.07 4 193 . 34 GLU HG3 H 2.48 0.07 4 194 . 34 GLU CA C 54.56 0.74 1 195 . 34 GLU CB C 36.16 0.74 1 196 . 34 GLU N N 121.27 0.43 1 197 . 35 LYS H H 8.77 0.07 1 198 . 35 LYS HA H 2.94 0.07 1 199 . 35 LYS HB2 H 1.45 0.07 4 200 . 35 LYS HB3 H 1.45 0.07 4 201 . 35 LYS HG2 H 0.75 0.07 4 202 . 35 LYS HG3 H 0.75 0.07 4 203 . 35 LYS HE2 H 2.17 0.07 4 204 . 35 LYS HE3 H 2.17 0.07 4 205 . 35 LYS CA C 56.05 0.74 1 206 . 35 LYS CB C 32.68 0.74 1 207 . 35 LYS N N 123.41 0.43 1 208 . 36 ALA H H 8.79 0.07 1 209 . 36 ALA HA H 4.30 0.07 1 210 . 36 ALA HB H 1.08 0.07 1 211 . 36 ALA CA C 50.69 0.74 1 212 . 36 ALA CB C 17.70 0.74 1 213 . 36 ALA N N 130.27 0.43 1 214 . 37 PRO HA H 4.12 0.07 1 215 . 37 PRO HB2 H 2.18 0.07 4 216 . 37 PRO HB3 H 2.18 0.07 4 217 . 37 PRO HG2 H 1.65 0.07 4 218 . 37 PRO HG3 H 1.89 0.07 4 219 . 37 PRO HD2 H 3.09 0.07 4 220 . 37 PRO HD3 H 3.09 0.07 4 221 . 37 PRO CA C 64.75 0.74 1 222 . 37 PRO CB C 31.91 0.74 1 223 . 38 LYS H H 8.33 0.07 1 224 . 38 LYS HA H 3.92 0.07 1 225 . 38 LYS HB2 H 1.73 0.07 4 226 . 38 LYS HB3 H 1.73 0.07 4 227 . 38 LYS HG2 H 1.45 0.07 4 228 . 38 LYS HG3 H 1.45 0.07 4 229 . 38 LYS HD2 H 1.16 0.07 4 230 . 38 LYS HD3 H 1.16 0.07 4 231 . 38 LYS HE2 H 2.75 0.07 4 232 . 38 LYS HE3 H 2.75 0.07 4 233 . 38 LYS CA C 56.68 0.74 1 234 . 38 LYS CB C 31.19 0.74 1 235 . 38 LYS N N 114.40 0.43 1 236 . 39 ALA H H 7.33 0.07 1 237 . 39 ALA HA H 4.35 0.07 1 238 . 39 ALA HB H 1.49 0.07 1 239 . 39 ALA CA C 52.82 0.74 1 240 . 39 ALA CB C 20.50 0.74 1 241 . 39 ALA N N 122.00 0.43 1 242 . 40 ARG H H 9.05 0.07 1 243 . 40 ARG HA H 4.36 0.07 1 244 . 40 ARG HB2 H 1.84 0.07 4 245 . 40 ARG HB3 H 1.84 0.07 4 246 . 40 ARG HG2 H 1.63 0.07 4 247 . 40 ARG HG3 H 1.63 0.07 4 248 . 40 ARG HD2 H 3.09 0.07 4 249 . 40 ARG HD3 H 3.09 0.07 4 250 . 40 ARG CA C 55.68 0.74 1 251 . 40 ARG CB C 29.28 0.74 1 252 . 40 ARG N N 124.77 0.43 1 253 . 41 ILE H H 6.81 0.07 1 254 . 41 ILE HA H 4.32 0.07 1 255 . 41 ILE HB H 1.95 0.07 4 256 . 41 ILE HG12 H 1.34 0.07 4 257 . 41 ILE HG13 H 1.34 0.07 4 258 . 41 ILE HD1 H 1.00 0.07 4 259 . 41 ILE CA C 60.16 0.74 1 260 . 41 ILE CB C 40.34 0.74 1 261 . 41 ILE N N 115.27 0.43 1 262 . 42 GLY H H 8.18 0.07 1 263 . 42 GLY HA2 H 3.74 0.07 2 264 . 42 GLY HA3 H 3.96 0.07 2 265 . 42 GLY CA C 45.34 0.74 1 266 . 42 GLY N N 107.80 0.43 1 267 . 43 ASP H H 8.22 0.07 1 268 . 43 ASP HA H 4.66 0.07 1 269 . 43 ASP HB2 H 2.41 0.07 2 270 . 43 ASP HB3 H 2.62 0.07 2 271 . 43 ASP CA C 54.01 0.74 1 272 . 43 ASP CB C 42.75 0.74 1 273 . 43 ASP N N 118.67 0.43 1 274 . 44 LEU H H 8.01 0.07 1 275 . 44 LEU HA H 4.29 0.07 1 276 . 44 LEU HB2 H 1.70 0.07 4 277 . 44 LEU HB3 H 1.70 0.07 4 278 . 44 LEU HG H 1.59 0.07 4 279 . 44 LEU HD1 H 0.81 0.07 4 280 . 44 LEU CA C 53.99 0.74 1 281 . 44 LEU CB C 44.58 0.74 1 282 . 44 LEU N N 123.36 0.43 1 283 . 45 ASP H H 8.57 0.07 1 284 . 45 ASP HA H 4.26 0.07 1 285 . 45 ASP HB2 H 2.69 0.07 1 286 . 45 ASP HB3 H 2.69 0.07 1 287 . 45 ASP CA C 55.17 0.74 1 288 . 45 ASP CB C 39.74 0.74 1 289 . 45 ASP N N 122.27 0.43 1 290 . 46 LYS H H 7.31 0.07 1 291 . 46 LYS HA H 4.35 0.07 1 292 . 46 LYS HB2 H 1.72 0.07 4 293 . 46 LYS HB3 H 1.72 0.07 4 294 . 46 LYS HD2 H 1.53 0.07 4 295 . 46 LYS HD3 H 1.53 0.07 4 296 . 46 LYS HE2 H 2.46 0.07 4 297 . 46 LYS HE3 H 2.46 0.07 4 298 . 46 LYS CA C 55.28 0.74 1 299 . 46 LYS CB C 34.35 0.74 1 300 . 46 LYS N N 120.44 0.43 1 301 . 47 LYS H H 8.47 0.07 1 302 . 47 LYS HA H 4.91 0.07 1 303 . 47 LYS HB2 H 2.03 0.07 4 304 . 47 LYS HB3 H 2.03 0.07 4 305 . 47 LYS HG2 H 1.47 0.07 4 306 . 47 LYS HG3 H 1.47 0.07 4 307 . 47 LYS HD2 H 1.80 0.07 4 308 . 47 LYS HD3 H 1.80 0.07 4 309 . 47 LYS HE2 H 3.06 0.07 4 310 . 47 LYS HE3 H 3.06 0.07 4 311 . 47 LYS CA C 56.59 0.74 1 312 . 47 LYS CB C 34.66 0.74 1 313 . 47 LYS N N 123.24 0.43 1 314 . 48 LYS H H 6.79 0.07 1 315 . 48 LYS HA H 4.99 0.07 1 316 . 48 LYS HB2 H 1.21 0.07 4 317 . 48 LYS HB3 H 1.21 0.07 4 318 . 48 LYS HG2 H 1.51 0.07 4 319 . 48 LYS HG3 H 1.51 0.07 4 320 . 48 LYS HD2 H 0.85 0.07 4 321 . 48 LYS HD3 H 0.85 0.07 4 322 . 48 LYS HE2 H 2.59 0.07 4 323 . 48 LYS HE3 H 2.59 0.07 4 324 . 48 LYS CA C 54.97 0.74 1 325 . 48 LYS CB C 34.21 0.74 1 326 . 48 LYS N N 118.98 0.43 1 327 . 49 TYR H H 9.39 0.07 1 328 . 49 TYR HA H 4.32 0.07 1 329 . 49 TYR HB2 H 2.52 0.07 2 330 . 49 TYR HB3 H 2.71 0.07 2 331 . 49 TYR CA C 57.15 0.74 1 332 . 49 TYR CB C 42.44 0.74 1 333 . 49 TYR N N 125.06 0.43 1 334 . 50 LEU H H 8.51 0.07 1 335 . 50 LEU HA H 4.74 0.07 1 336 . 50 LEU HB2 H 1.21 0.07 4 337 . 50 LEU HB3 H 1.21 0.07 4 338 . 50 LEU HG H 0.92 0.07 4 339 . 50 LEU HD1 H 0.94 0.07 4 340 . 50 LEU HD2 H 0.32 0.07 4 341 . 50 LEU CA C 53.73 0.74 1 342 . 50 LEU CB C 42.27 0.74 1 343 . 50 LEU N N 124.75 0.43 1 344 . 51 VAL H H 8.30 0.07 1 345 . 51 VAL HB H 1.86 0.07 4 346 . 51 VAL HG1 H 0.45 0.07 4 347 . 51 VAL CA C 58.24 0.74 1 348 . 51 VAL CB C 42.30 0.74 1 349 . 51 VAL N N 121.30 0.43 1 350 . 52 PRO HA H 4.35 0.07 1 351 . 52 PRO HB2 H 2.42 0.07 4 352 . 52 PRO HB3 H 2.42 0.07 4 353 . 52 PRO HG2 H 2.08 0.07 4 354 . 52 PRO HG3 H 2.08 0.07 4 355 . 52 PRO HD2 H 3.71 0.07 4 356 . 52 PRO HD3 H 3.71 0.07 4 357 . 52 PRO CA C 63.52 0.74 1 358 . 52 PRO CB C 32.28 0.74 1 359 . 53 SER H H 8.24 0.07 1 360 . 53 SER HA H 3.57 0.07 1 361 . 53 SER HB2 H 3.59 0.07 4 362 . 53 SER HB3 H 3.59 0.07 4 363 . 53 SER CA C 60.93 0.74 1 364 . 53 SER CB C 62.98 0.74 1 365 . 53 SER N N 118.16 0.43 1 366 . 54 ASP H H 8.14 0.07 1 367 . 54 ASP HA H 4.41 0.07 1 368 . 54 ASP HB2 H 2.57 0.07 2 369 . 54 ASP HB3 H 2.69 0.07 2 370 . 54 ASP CA C 53.23 0.74 1 371 . 54 ASP CB C 40.09 0.74 1 372 . 54 ASP N N 115.19 0.43 1 373 . 55 LEU H H 7.33 0.07 1 374 . 55 LEU HA H 4.15 0.07 1 375 . 55 LEU HB2 H 1.88 0.07 4 376 . 55 LEU HB3 H 1.88 0.07 4 377 . 55 LEU HG H 1.59 0.07 4 378 . 55 LEU HD1 H 0.88 0.07 4 379 . 55 LEU HD2 H 1.37 0.07 4 380 . 55 LEU CA C 55.54 0.74 1 381 . 55 LEU CB C 43.50 0.74 1 382 . 55 LEU N N 123.62 0.43 1 383 . 56 THR H H 8.62 0.07 1 384 . 56 THR HA H 4.86 0.07 1 385 . 56 THR HB H 4.70 0.07 4 386 . 56 THR HG2 H 1.15 0.07 4 387 . 56 THR CA C 60.91 0.74 1 388 . 56 THR CB C 71.47 0.74 1 389 . 56 THR N N 116.58 0.43 1 390 . 57 VAL H H 9.00 0.07 1 391 . 57 VAL HA H 3.56 0.07 1 392 . 57 VAL HB H 2.28 0.07 4 393 . 57 VAL HG1 H 0.79 0.07 4 394 . 57 VAL CA C 66.55 0.74 1 395 . 57 VAL CB C 31.34 0.74 1 396 . 57 VAL N N 122.94 0.43 1 397 . 58 GLY H H 8.80 0.07 1 398 . 58 GLY HA2 H 3.80 0.07 2 399 . 58 GLY HA3 H 3.97 0.07 2 400 . 58 GLY CA C 47.63 0.74 1 401 . 58 GLY N N 105.34 0.43 1 402 . 59 GLN H H 8.01 0.07 1 403 . 59 GLN HA H 4.15 0.07 1 404 . 59 GLN HB2 H 2.39 0.07 4 405 . 59 GLN HB3 H 2.39 0.07 4 406 . 59 GLN CA C 58.70 0.74 1 407 . 59 GLN CB C 28.70 0.74 1 408 . 59 GLN N N 121.52 0.43 1 409 . 60 PHE H H 8.76 0.07 1 410 . 60 PHE HA H 4.34 0.07 1 411 . 60 PHE HB2 H 3.03 0.07 2 412 . 60 PHE HB3 H 3.16 0.07 2 413 . 60 PHE CA C 61.19 0.74 1 414 . 60 PHE CB C 39.30 0.74 1 415 . 60 PHE N N 125.56 0.43 1 416 . 61 TYR H H 9.02 0.07 1 417 . 61 TYR HA H 3.82 0.07 1 418 . 61 TYR HB2 H 2.62 0.07 2 419 . 61 TYR HB3 H 2.96 0.07 2 420 . 61 TYR CA C 61.45 0.74 1 421 . 61 TYR CB C 38.02 0.74 1 422 . 61 TYR N N 118.61 0.43 1 423 . 62 PHE H H 7.25 0.07 1 424 . 62 PHE HA H 3.90 0.07 1 425 . 62 PHE HB2 H 3.07 0.07 2 426 . 62 PHE HB3 H 3.17 0.07 2 427 . 62 PHE CA C 61.65 0.74 1 428 . 62 PHE CB C 38.52 0.74 1 429 . 62 PHE N N 116.86 0.43 1 430 . 63 LEU H H 7.45 0.07 1 431 . 63 LEU HA H 3.83 0.07 1 432 . 63 LEU HB2 H 1.68 0.07 4 433 . 63 LEU HB3 H 1.68 0.07 4 434 . 63 LEU HG H 1.52 0.07 4 435 . 63 LEU HD1 H 0.88 0.07 4 436 . 63 LEU HD2 H 0.72 0.07 4 437 . 63 LEU CA C 58.34 0.74 1 438 . 63 LEU CB C 42.09 0.74 1 439 . 63 LEU N N 120.19 0.43 1 440 . 64 ILE H H 7.72 0.07 1 441 . 64 ILE HA H 3.30 0.07 1 442 . 64 ILE HB H 1.66 0.07 4 443 . 64 ILE HG12 H 0.27 0.07 4 444 . 64 ILE HG13 H 0.27 0.07 4 445 . 64 ILE HG2 H 0.74 0.07 4 446 . 64 ILE HD1 H -0.26 0.07 4 447 . 64 ILE CA C 61.29 0.74 1 448 . 64 ILE CB C 34.71 0.74 1 449 . 64 ILE N N 119.78 0.43 1 450 . 65 ARG H H 8.43 0.07 1 451 . 65 ARG HA H 3.28 0.07 1 452 . 65 ARG HB2 H 1.49 0.07 4 453 . 65 ARG HB3 H 1.49 0.07 4 454 . 65 ARG HG2 H 1.04 0.07 4 455 . 65 ARG HG3 H 1.04 0.07 4 456 . 65 ARG HD2 H 2.66 0.07 4 457 . 65 ARG HD3 H 2.66 0.07 4 458 . 65 ARG CA C 60.62 0.74 1 459 . 65 ARG CB C 30.18 0.74 1 460 . 65 ARG N N 118.68 0.43 1 461 . 66 LYS H H 7.21 0.07 1 462 . 66 LYS HA H 3.88 0.07 1 463 . 66 LYS HB2 H 1.63 0.07 4 464 . 66 LYS HB3 H 1.63 0.07 4 465 . 66 LYS HG2 H 1.23 0.07 4 466 . 66 LYS HG3 H 1.23 0.07 4 467 . 66 LYS HD2 H 1.48 0.07 4 468 . 66 LYS HD3 H 1.48 0.07 4 469 . 66 LYS HE2 H 2.72 0.07 4 470 . 66 LYS HE3 H 2.72 0.07 4 471 . 66 LYS CA C 58.34 0.74 1 472 . 66 LYS CB C 32.02 0.74 1 473 . 66 LYS N N 115.40 0.43 1 474 . 67 ARG H H 7.40 0.07 1 475 . 67 ARG HA H 3.88 0.07 1 476 . 67 ARG HB2 H 1.79 0.07 4 477 . 67 ARG HB3 H 1.79 0.07 4 478 . 67 ARG HG2 H 1.58 0.07 4 479 . 67 ARG HG3 H 1.58 0.07 4 480 . 67 ARG HD2 H 3.15 0.07 4 481 . 67 ARG HD3 H 3.15 0.07 4 482 . 67 ARG CA C 58.40 0.74 1 483 . 67 ARG CB C 30.57 0.74 1 484 . 67 ARG N N 118.80 0.43 1 485 . 68 ILE H H 7.38 0.07 1 486 . 68 ILE HA H 4.04 0.07 1 487 . 68 ILE HB H 1.62 0.07 4 488 . 68 ILE HG12 H 0.82 0.07 4 489 . 68 ILE HG13 H 0.82 0.07 4 490 . 68 ILE HG2 H 0.62 0.07 4 491 . 68 ILE HD1 H 0.33 0.07 4 492 . 68 ILE CA C 61.21 0.74 1 493 . 68 ILE CB C 38.26 0.74 1 494 . 68 ILE N N 112.44 0.43 1 495 . 69 HIS H H 7.38 0.07 1 496 . 69 HIS HA H 4.10 0.07 1 497 . 69 HIS HB2 H 3.16 0.07 2 498 . 69 HIS HB3 H 3.38 0.07 2 499 . 69 HIS CA C 46.01 0.74 1 500 . 69 HIS CB C 25.82 0.74 1 501 . 69 HIS N N 115.42 0.43 1 502 . 70 LEU H H 7.67 0.07 1 503 . 70 LEU HA H 4.36 0.07 1 504 . 70 LEU HB2 H 1.58 0.07 4 505 . 70 LEU HB3 H 1.58 0.07 4 506 . 70 LEU HG H 1.25 0.07 4 507 . 70 LEU HD1 H 0.76 0.07 4 508 . 70 LEU CA C 54.37 0.74 1 509 . 70 LEU CB C 43.09 0.74 1 510 . 70 LEU N N 119.03 0.43 1 511 . 71 ARG H H 9.02 0.07 1 512 . 71 ARG HA H 4.23 0.07 1 513 . 71 ARG HB2 H 1.99 0.07 4 514 . 71 ARG HB3 H 1.99 0.07 4 515 . 71 ARG HG2 H 1.63 0.07 4 516 . 71 ARG HG3 H 1.63 0.07 4 517 . 71 ARG HD2 H 3.13 0.07 4 518 . 71 ARG HD3 H 3.13 0.07 4 519 . 71 ARG CA C 55.19 0.74 1 520 . 71 ARG CB C 30.78 0.74 1 521 . 71 ARG N N 123.47 0.43 1 522 . 72 ALA H H 8.68 0.07 1 523 . 72 ALA HA H 3.73 0.07 1 524 . 72 ALA HB H 1.27 0.07 1 525 . 72 ALA CA C 55.29 0.74 1 526 . 72 ALA CB C 18.21 0.74 1 527 . 72 ALA N N 124.81 0.43 1 528 . 73 GLU H H 8.77 0.07 1 529 . 73 GLU HA H 3.96 0.07 1 530 . 73 GLU HB2 H 1.88 0.07 4 531 . 73 GLU HB3 H 1.88 0.07 4 532 . 73 GLU HG2 H 2.09 0.07 4 533 . 73 GLU HG3 H 2.09 0.07 4 534 . 73 GLU CA C 57.20 0.74 1 535 . 73 GLU CB C 28.82 0.74 1 536 . 73 GLU N N 111.97 0.43 1 537 . 74 ASP H H 7.33 0.07 1 538 . 74 ASP HA H 4.51 0.07 1 539 . 74 ASP HB2 H 2.65 0.07 2 540 . 74 ASP HB3 H 2.76 0.07 2 541 . 74 ASP CA C 54.63 0.74 1 542 . 74 ASP CB C 42.17 0.74 1 543 . 74 ASP N N 121.36 0.43 1 544 . 75 ALA H H 8.38 0.07 1 545 . 75 ALA HA H 3.91 0.07 1 546 . 75 ALA HB H 1.31 0.07 1 547 . 75 ALA CA C 52.11 0.74 1 548 . 75 ALA CB C 20.52 0.74 1 549 . 75 ALA N N 126.89 0.43 1 550 . 76 LEU H H 6.87 0.07 1 551 . 76 LEU HA H 4.42 0.07 1 552 . 76 LEU HB2 H 0.98 0.07 4 553 . 76 LEU HB3 H 0.98 0.07 4 554 . 76 LEU HG H 0.71 0.07 4 555 . 76 LEU HD1 H 0.31 0.07 4 556 . 76 LEU HD2 H 1.03 0.07 4 557 . 76 LEU CA C 54.78 0.74 1 558 . 76 LEU CB C 44.41 0.74 1 559 . 76 LEU N N 116.87 0.43 1 560 . 77 PHE H H 9.05 0.07 1 561 . 77 PHE HA H 4.58 0.07 1 562 . 77 PHE HB2 H 2.50 0.07 2 563 . 77 PHE HB3 H 2.42 0.07 2 564 . 77 PHE CA C 57.10 0.74 1 565 . 77 PHE CB C 42.91 0.74 1 566 . 77 PHE N N 123.84 0.43 1 567 . 78 PHE H H 7.75 0.07 1 568 . 78 PHE HA H 5.90 0.07 1 569 . 78 PHE HB2 H 2.71 0.07 2 570 . 78 PHE HB3 H 2.80 0.07 2 571 . 78 PHE CA C 52.02 0.74 1 572 . 78 PHE CB C 41.69 0.74 1 573 . 78 PHE N N 119.75 0.43 1 574 . 79 PHE H H 8.97 0.07 1 575 . 79 PHE HA H 4.95 0.07 1 576 . 79 PHE HB2 H 2.68 0.07 2 577 . 79 PHE HB3 H 2.54 0.07 2 578 . 79 PHE CA C 56.23 0.74 1 579 . 79 PHE CB C 43.62 0.74 1 580 . 79 PHE N N 112.12 0.43 1 581 . 80 VAL H H 9.22 0.07 1 582 . 80 VAL HA H 4.42 0.07 1 583 . 80 VAL HB H 1.60 0.07 4 584 . 80 VAL HG1 H 0.59 0.07 4 585 . 80 VAL HG2 H 0.68 0.07 4 586 . 80 VAL CA C 59.88 0.74 1 587 . 80 VAL CB C 33.76 0.74 1 588 . 80 VAL N N 121.90 0.43 1 589 . 81 ASN H H 9.74 0.07 1 590 . 81 ASN HA H 4.20 0.07 1 591 . 81 ASN HB2 H 2.57 0.07 1 592 . 81 ASN HB3 H 2.57 0.07 1 593 . 81 ASN CA C 55.12 0.74 1 594 . 81 ASN CB C 37.41 0.74 1 595 . 81 ASN N N 126.37 0.43 1 596 . 82 ASN H H 8.03 0.07 1 597 . 82 ASN HA H 3.91 0.07 1 598 . 82 ASN HB2 H 2.90 0.07 1 599 . 82 ASN HB3 H 2.90 0.07 1 600 . 82 ASN CA C 55.59 0.74 1 601 . 82 ASN CB C 38.21 0.74 1 602 . 82 ASN N N 106.66 0.43 1 603 . 83 VAL H H 8.05 0.07 1 604 . 83 VAL HA H 4.57 0.07 1 605 . 83 VAL HB H 2.07 0.07 4 606 . 83 VAL HG1 H 0.84 0.07 4 607 . 83 VAL HG2 H 0.86 0.07 4 608 . 83 VAL CA C 60.60 0.74 1 609 . 83 VAL CB C 35.01 0.74 1 610 . 83 VAL N N 118.97 0.43 1 611 . 84 ILE H H 8.42 0.07 1 612 . 84 ILE HA H 5.08 0.07 1 613 . 84 ILE HB H 1.65 0.07 4 614 . 84 ILE HG12 H 1.42 0.07 4 615 . 84 ILE HG13 H 1.42 0.07 4 616 . 84 ILE HG2 H 1.05 0.07 4 617 . 84 ILE HD1 H 0.70 0.07 4 618 . 84 ILE CA C 58.40 0.74 1 619 . 84 ILE CB C 38.80 0.74 1 620 . 84 ILE N N 127.33 0.43 1 621 . 86 PRO HA H 4.61 0.07 1 622 . 86 PRO HB2 H 2.33 0.07 4 623 . 86 PRO HB3 H 2.33 0.07 4 624 . 86 PRO HG2 H 1.92 0.07 4 625 . 86 PRO HG3 H 1.92 0.07 4 626 . 86 PRO HD2 H 3.42 0.07 4 627 . 86 PRO HD3 H 3.42 0.07 4 628 . 86 PRO CA C 62.05 0.74 1 629 . 86 PRO CB C 31.80 0.74 1 630 . 87 THR H H 8.49 0.07 1 631 . 87 THR HA H 3.77 0.07 1 632 . 87 THR HB H 4.13 0.07 4 633 . 87 THR HG2 H 1.25 0.07 4 634 . 87 THR CA C 64.81 0.74 1 635 . 87 THR CB C 68.75 0.74 1 636 . 87 THR N N 113.54 0.43 1 637 . 88 SER H H 7.67 0.07 1 638 . 88 SER HA H 4.29 0.07 1 639 . 88 SER CA C 57.71 0.74 1 640 . 88 SER CB C 63.35 0.74 1 641 . 88 SER N N 110.90 0.43 1 642 . 89 ALA H H 7.17 0.07 1 643 . 89 ALA HA H 4.38 0.07 1 644 . 89 ALA HB H 1.39 0.07 1 645 . 89 ALA CA C 52.37 0.74 1 646 . 89 ALA CB C 18.94 0.74 1 647 . 89 ALA N N 124.80 0.43 1 648 . 90 THR H H 8.08 0.07 1 649 . 90 THR HA H 4.78 0.07 1 650 . 90 THR HG1 H 4.75 0.07 4 651 . 90 THR HG2 H 1.10 0.07 4 652 . 90 THR CA C 59.81 0.74 1 653 . 90 THR CB C 70.60 0.74 1 654 . 90 THR N N 108.47 0.43 1 655 . 91 MET H H 9.22 0.07 1 656 . 91 MET HA H 4.22 0.07 1 657 . 91 MET HB2 H 2.06 0.07 4 658 . 91 MET HB3 H 2.06 0.07 4 659 . 91 MET HG2 H 2.26 0.07 4 660 . 91 MET HG3 H 2.26 0.07 4 661 . 91 MET HE H 1.87 0.07 4 662 . 91 MET CA C 55.74 0.74 1 663 . 91 MET CB C 28.52 0.74 1 664 . 91 MET N N 119.75 0.43 1 665 . 92 GLY H H 9.35 0.07 1 666 . 92 GLY HA2 H 3.80 0.07 2 667 . 92 GLY HA3 H 3.69 0.07 2 668 . 92 GLY CA C 47.05 0.74 1 669 . 92 GLY N N 107.87 0.43 1 670 . 93 GLN H H 7.90 0.07 1 671 . 93 GLN HA H 4.03 0.07 1 672 . 93 GLN HB2 H 2.00 0.07 4 673 . 93 GLN HB3 H 2.00 0.07 4 674 . 93 GLN HG2 H 2.33 0.07 4 675 . 93 GLN HG3 H 2.33 0.07 4 676 . 93 GLN CA C 58.84 0.74 1 677 . 93 GLN CB C 27.83 0.74 1 678 . 93 GLN N N 124.39 0.43 1 679 . 94 LEU H H 8.29 0.07 1 680 . 94 LEU HA H 4.14 0.07 1 681 . 94 LEU HB2 H 1.70 0.07 4 682 . 94 LEU HB3 H 1.70 0.07 4 683 . 94 LEU HG H 1.49 0.07 4 684 . 94 LEU HD1 H 0.77 0.07 4 685 . 94 LEU CA C 57.79 0.74 1 686 . 94 LEU CB C 42.45 0.74 1 687 . 94 LEU N N 120.31 0.43 1 688 . 95 TYR H H 8.90 0.07 1 689 . 95 TYR HA H 3.72 0.07 1 690 . 95 TYR HB2 H 2.93 0.07 2 691 . 95 TYR HB3 H 3.17 0.07 2 692 . 95 TYR CA C 63.27 0.74 1 693 . 95 TYR CB C 39.38 0.74 1 694 . 95 TYR N N 118.58 0.43 1 695 . 96 GLN H H 8.33 0.07 1 696 . 96 GLN HA H 3.94 0.07 1 697 . 96 GLN HB2 H 2.19 0.07 4 698 . 96 GLN HB3 H 2.19 0.07 4 699 . 96 GLN HG2 H 2.44 0.07 4 700 . 96 GLN HG3 H 2.44 0.07 4 701 . 96 GLN CA C 59.21 0.74 1 702 . 96 GLN CB C 28.29 0.74 1 703 . 96 GLN N N 119.83 0.43 1 704 . 97 GLU H H 7.30 0.07 1 705 . 97 GLU HA H 3.87 0.07 1 706 . 97 GLU HB2 H 1.47 0.07 4 707 . 97 GLU HB3 H 1.47 0.07 4 708 . 97 GLU HG2 H 1.97 0.07 4 709 . 97 GLU HG3 H 1.97 0.07 4 710 . 97 GLU CA C 58.21 0.74 1 711 . 97 GLU CB C 31.17 0.74 1 712 . 97 GLU N N 114.59 0.43 1 713 . 98 HIS H H 8.05 0.07 1 714 . 98 HIS HA H 4.68 0.07 1 715 . 98 HIS HB2 H 2.68 0.07 2 716 . 98 HIS HB3 H 2.97 0.07 2 717 . 98 HIS CA C 56.33 0.74 1 718 . 98 HIS CB C 33.22 0.74 1 719 . 98 HIS N N 111.76 0.43 1 720 . 99 HIS H H 8.31 0.07 1 721 . 99 HIS HA H 4.15 0.07 1 722 . 99 HIS HB2 H 1.97 0.07 2 723 . 99 HIS HB3 H 2.15 0.07 2 724 . 99 HIS CA C 56.92 0.74 1 725 . 99 HIS CB C 26.41 0.74 1 726 . 99 HIS N N 118.91 0.43 1 727 . 100 GLU H H 8.71 0.07 1 728 . 100 GLU HA H 4.57 0.07 1 729 . 100 GLU HB2 H 2.32 0.07 4 730 . 100 GLU HB3 H 2.32 0.07 4 731 . 100 GLU HG2 H 2.59 0.07 4 732 . 100 GLU HG3 H 2.59 0.07 4 733 . 100 GLU CA C 56.69 0.74 1 734 . 100 GLU CB C 30.99 0.74 1 735 . 100 GLU N N 120.67 0.43 1 736 . 102 ASP H H 7.71 0.07 1 737 . 102 ASP HA H 4.36 0.07 1 738 . 102 ASP HB2 H 2.33 0.07 1 739 . 102 ASP HB3 H 2.33 0.07 1 740 . 102 ASP CA C 53.17 0.74 1 741 . 102 ASP CB C 40.39 0.74 1 742 . 102 ASP N N 115.01 0.43 1 743 . 103 PHE H H 7.73 0.07 1 744 . 103 PHE HA H 3.44 0.07 1 745 . 103 PHE HB2 H 2.82 0.07 1 746 . 103 PHE HB3 H 2.82 0.07 1 747 . 103 PHE CA C 61.22 0.74 1 748 . 103 PHE CB C 34.67 0.74 1 749 . 103 PHE N N 102.76 0.43 1 750 . 104 PHE H H 8.58 0.07 1 751 . 104 PHE HA H 4.67 0.07 1 752 . 104 PHE HB2 H 3.02 0.07 1 753 . 104 PHE HB3 H 3.02 0.07 1 754 . 104 PHE CA C 59.13 0.74 1 755 . 104 PHE CB C 41.05 0.74 1 756 . 104 PHE N N 119.01 0.43 1 757 . 105 LEU H H 7.79 0.07 1 758 . 105 LEU HA H 4.57 0.07 1 759 . 105 LEU HB2 H 1.92 0.07 4 760 . 105 LEU HB3 H 1.92 0.07 4 761 . 105 LEU HD1 H 0.74 0.07 4 762 . 105 LEU HD2 H 1.26 0.07 4 763 . 105 LEU CA C 53.16 0.74 1 764 . 105 LEU CB C 45.96 0.74 1 765 . 105 LEU N N 121.43 0.43 1 766 . 106 TYR H H 8.76 0.07 1 767 . 106 TYR HA H 4.54 0.07 1 768 . 106 TYR HB2 H 1.82 0.07 2 769 . 106 TYR HB3 H 1.66 0.07 2 770 . 106 TYR CA C 57.72 0.74 1 771 . 106 TYR CB C 38.62 0.74 1 772 . 106 TYR N N 126.72 0.43 1 773 . 107 ILE H H 9.24 0.07 1 774 . 107 ILE HA H 4.71 0.07 1 775 . 107 ILE HB H 1.40 0.07 4 776 . 107 ILE HG12 H 0.75 0.07 4 777 . 107 ILE HG13 H 0.75 0.07 4 778 . 107 ILE HG2 H 0.36 0.07 4 779 . 107 ILE HD1 H 0.15 0.07 4 780 . 107 ILE CA C 59.83 0.74 1 781 . 107 ILE CB C 41.56 0.74 1 782 . 107 ILE N N 123.44 0.43 1 783 . 108 ALA H H 8.89 0.07 1 784 . 108 ALA HA H 6.39 0.07 1 785 . 108 ALA HB H 1.45 0.07 1 786 . 108 ALA CA C 48.84 0.74 1 787 . 108 ALA CB C 23.04 0.74 1 788 . 108 ALA N N 127.71 0.43 1 789 . 109 TYR H H 8.41 0.07 1 790 . 109 TYR HA H 6.60 0.07 1 791 . 109 TYR HB2 H 2.73 0.07 2 792 . 109 TYR HB3 H 3.15 0.07 2 793 . 109 TYR CA C 55.05 0.74 1 794 . 109 TYR CB C 42.80 0.74 1 795 . 109 TYR N N 115.70 0.43 1 796 . 110 SER H H 9.17 0.07 1 797 . 110 SER HA H 4.54 0.07 1 798 . 110 SER HB2 H 3.80 0.07 2 799 . 110 SER HB3 H 4.17 0.07 2 800 . 110 SER CA C 55.84 0.74 1 801 . 110 SER CB C 65.01 0.74 1 802 . 110 SER N N 112.17 0.43 1 803 . 111 ASP H H 9.32 0.07 1 804 . 111 ASP HA H 4.69 0.07 1 805 . 111 ASP HB2 H 2.59 0.07 2 806 . 111 ASP HB3 H 2.95 0.07 2 807 . 111 ASP CA C 54.01 0.74 1 808 . 111 ASP CB C 40.62 0.74 1 809 . 111 ASP N N 119.97 0.43 1 810 . 112 GLU H H 8.41 0.07 1 811 . 112 GLU HA H 4.52 0.07 1 812 . 112 GLU HB2 H 2.00 0.07 4 813 . 112 GLU HB3 H 2.00 0.07 4 814 . 112 GLU HG2 H 2.09 0.07 4 815 . 112 GLU HG3 H 2.09 0.07 4 816 . 112 GLU CA C 54.92 0.74 1 817 . 112 GLU CB C 33.06 0.74 1 818 . 112 GLU N N 118.95 0.43 1 819 . 113 SER H H 7.86 0.07 1 820 . 113 SER HA H 3.24 0.07 1 821 . 113 SER HB2 H 2.33 0.07 1 822 . 113 SER HB3 H 2.33 0.07 1 823 . 113 SER CA C 59.72 0.74 1 824 . 113 SER CB C 60.40 0.74 1 825 . 113 SER N N 112.00 0.43 1 826 . 114 VAL H H 6.85 0.07 1 827 . 114 VAL HA H 4.01 0.07 1 828 . 114 VAL HB H 1.69 0.07 4 829 . 114 VAL HG1 H 0.64 0.07 4 830 . 114 VAL CA C 61.13 0.74 1 831 . 114 VAL CB C 34.10 0.74 1 832 . 114 VAL N N 118.77 0.43 1 833 . 115 TYR H H 8.15 0.07 1 834 . 115 TYR HA H 3.55 0.07 1 835 . 115 TYR HB2 H 1.75 0.07 2 836 . 115 TYR HB3 H 2.40 0.07 2 837 . 115 TYR CA C 58.69 0.74 1 838 . 115 TYR CB C 37.87 0.74 1 839 . 115 TYR N N 127.10 0.43 1 840 . 116 GLY H H 7.40 0.07 1 841 . 116 GLY HA2 H 3.43 0.07 2 842 . 116 GLY HA3 H 3.57 0.07 2 843 . 116 GLY CA C 45.09 0.74 1 844 . 116 GLY N N 112.38 0.43 1 845 . 117 LEU H H 7.29 0.07 1 846 . 117 LEU HA H 3.96 0.07 1 847 . 117 LEU HB2 H 1.35 0.07 4 848 . 117 LEU HB3 H 1.35 0.07 4 849 . 117 LEU HD1 H 0.69 0.07 4 850 . 117 LEU CA C 56.22 0.74 1 851 . 117 LEU CB C 43.30 0.74 1 852 . 117 LEU N N 126.77 0.43 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 6 '5,4,3' '19,18,17,16,15,14,13,12' '36,35,34,33' '50,49,48,47' '63,62,61,60,59,58,57,56' '73,73,73,72,72,72,71,70,69' '84,83,82,81,80,79' '97,96,95,94,93,92,91,90' '110,109,108,107,106,105,104,103' '127,126,125,124,123,122' '144,143,142,141,140,139' '151,151,151,150' '159,158,157,156' '166,166,166,165,165,165,164' '176,176,176,175,175,175,174,173,172' '184,184,184,183,183,183,182' '193,192,191,190' '204,203,202,201,200,199' '220,219,218,217,216,215' '232,231,230,229,228,227,226,225' '249,248,247,246,245,244' '258,258,258,257,256,255' '279,279,279,278,277,276' '297,296,295,294,293,292' '310,309,308,307,306,305,304,303' '323,322,321,320,319,318,317,316' '340,340,340,339,339,339,338,337,336' '346,346,346,345' '356,355,354,353,352,351' '362,361' '379,379,379,378,378,378,377,376,375' '386,386,386,385' '393,393,393,392' '405,404' '436,436,436,435,435,435,434,433,432' '446,446,446,445,445,445,444,443,442' '457,456,455,454,453,452' '470,469,468,467,466,465,464,463' '481,480,479,478,477,476' '491,491,491,490,490,490,489,488,487' '507,507,507,506,505,504' '518,517,516,515,514,513' '533,532,531,530' '556,556,556,555,555,555,554,553,552' '585,585,585,584,584,584,583' '607,607,607,606,606,606,605' '617,617,617,616,616,616,615,614,613' '627,626,625,624,623,622' '633,633,633,632' '651,651,651,650' '661,661,661,660,659,658,657' '675,674,673,672' '684,684,684,683,682,681' '700,699,698,697' '709,708,707,706' '732,731,730,729' '762,762,762,761,761,761,760,759' '779,779,779,778,778,778,777,776,775' '815,814,813,812' '829,829,829,828' '849,849,849,848,847' stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_set_1 _Saveframe_category coupling_constants _Details '3JHNHA coupling constants were measured using an HNHA experiment.' loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name GABARAP _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 1 MET H 1 MET HA 6.5 . . . 2 3JHNHA 2 LYS H 2 LYS HA 9.0 . . . 3 3JHNHA 3 PHE H 3 PHE HA 8.8 . . . 4 3JHNHA 21 ILE H 21 ILE HA 4.9 . . . 5 3JHNHA 24 LYS H 24 LYS HA 6.4 . . . 6 3JHNHA 25 TYR H 25 TYR HA 11.4 . . . 7 3JHNHA 27 ASP H 27 ASP HA 9.4 . . . 8 3JHNHA 29 VAL H 29 VAL HA 9.4 . . . 9 3JHNHA 32 ILE H 32 ILE HA 9.3 . . . 10 3JHNHA 33 VAL H 33 VAL HA 9.0 . . . 11 3JHNHA 34 GLU H 34 GLU HA 8.4 . . . 12 3JHNHA 36 ALA H 36 ALA HA 3.9 . . . 13 3JHNHA 38 LYS H 38 LYS HA 8.1 . . . 14 3JHNHA 39 ALA H 39 ALA HA 4.2 . . . 15 3JHNHA 40 ARG H 40 ARG HA 9.1 . . . 16 3JHNHA 41 ILE H 41 ILE HA 8.6 . . . 17 3JHNHA 43 ASP H 43 ASP HA 6.6 . . . 18 3JHNHA 44 LEU H 44 LEU HA 8.2 . . . 19 3JHNHA 45 ASP H 45 ASP HA 6.5 . . . 20 3JHNHA 46 LYS H 46 LYS HA 6.6 . . . 21 3JHNHA 48 LYS H 48 LYS HA 6.0 . . . 22 3JHNHA 49 TYR H 49 TYR HA 10.5 . . . 23 3JHNHA 50 LEU H 50 LEU HA 9.3 . . . 24 3JHNHA 54 ASP H 54 ASP HA 8.4 . . . 25 3JHNHA 55 LEU H 55 LEU HA 5.3 . . . 26 3JHNHA 56 THR H 56 THR HA 7.0 . . . 27 3JHNHA 59 GLN H 59 GLN HA 6.0 . . . 28 3JHNHA 60 PHE H 60 PHE HA 5.1 . . . 29 3JHNHA 61 TYR H 61 TYR HA 3.8 . . . 30 3JHNHA 63 LEU H 63 LEU HA 4.9 . . . 31 3JHNHA 66 LYS H 66 LYS HA 5.2 . . . 32 3JHNHA 67 ARG H 67 ARG HA 5.8 . . . 33 3JHNHA 69 HIS H 69 HIS HA 8.0 . . . 34 3JHNHA 71 ARG H 71 ARG HA 7.1 . . . 35 3JHNHA 73 GLU H 73 GLU HA 6.3 . . . 36 3JHNHA 74 ASP H 74 ASP HA 7.3 . . . 37 3JHNHA 75 ALA H 75 ALA HA 6.0 . . . 38 3JHNHA 76 LEU H 76 LEU HA 7.3 . . . 39 3JHNHA 79 PHE H 79 PHE HA 10.3 . . . 40 3JHNHA 80 VAL H 80 VAL HA 10.1 . . . 41 3JHNHA 81 ASN H 81 ASN HA 7.8 . . . 42 3JHNHA 83 VAL H 83 VAL HA 10.6 . . . 43 3JHNHA 84 ILE H 84 ILE HA 5.9 . . . 44 3JHNHA 88 SER H 88 SER HA 8.0 . . . 45 3JHNHA 89 ALA H 89 ALA HA 7.4 . . . 46 3JHNHA 90 THR H 90 THR HA 7.8 . . . 47 3JHNHA 93 GLN H 93 GLN HA 5.6 . . . 48 3JHNHA 94 LEU H 94 LEU HA 4.5 . . . 49 3JHNHA 95 TYR H 95 TYR HA 3.8 . . . 50 3JHNHA 96 GLN H 96 GLN HA 4.2 . . . 51 3JHNHA 97 GLU H 97 GLU HA 6.7 . . . 52 3JHNHA 98 HIS H 98 HIS HA 10.3 . . . 53 3JHNHA 107 ILE H 107 ILE HA 10.1 . . . 54 3JHNHA 108 ALA H 108 ALA HA 9.1 . . . 55 3JHNHA 109 TYR H 109 TYR HA 8.5 . . . 56 3JHNHA 110 SER H 110 SER HA 8.0 . . . 57 3JHNHA 113 SER H 113 SER HA 6.3 . . . 58 3JHNHA 114 VAL H 114 VAL HA 9.9 . . . 59 3JHNHA 117 LEU H 117 LEU HA 9.2 . . . stop_ save_