data_5128 #Corrected using PDB structure: 1KJTA # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a HA chemical shift difference (obs*-pred) greater than 0.7ppm: #NUM AA CS Observed* Predicted #108 A HA 6.49 5.65 #109 Y HA 6.70 5.91 #113 S HA 3.34 4.62 # #After reference correction, the following residues still #have a CA chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 69 H CA 45.94 56.99 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 51 V CB 42.40 34.88 # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted #103 F N 103.19 116.99 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #0.10 -0.07 0.10 N/A 0.43 0.14 # #bmr5128.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr5128.str file): #HA CA CB CO N HN #N/A +0.02 +0.02 N/A +0.43 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.03 +/-0.18 +/-0.16 N/A +/-0.39 +/-0.07 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.883 0.911 0.991 N/A 0.825 0.708 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.157 0.868 0.776 N/A 1.877 0.323 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; GABARAP, GABAA receptor associated protein ; 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_ _BMRB_accession_number 5128 _BMRB_flat_file_name bmr5128.str _Entry_type new _Submission_date 2001-08-31 _Accession_date 2001-08-31 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR 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 '15N chemical shifts' 97 '13C chemical shifts' 199 'coupling constants' 59 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; 1H, 13C and 15N Resonance Assignments of GABARAP, GABAA Receptor Associated Protein ; _Citation_status published _Citation_type journal _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 _Page_first 97 _Page_last 98 _Year 2002 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_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' save_ ######################## # Monomeric polymers # ######################## save_GABARAP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "GABAA receptor associated protein" _Name_variant . _Abbreviation_common GABARAP _Mol_thiol_state 'not present' ############################## # 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 2004-07-29 _Sequence_homology_query_revised_last_date 2004-07-16 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1GNU "A Chain A, Gaba(A) Receptor Associated ProteinGabarap" 100.00 117 100 100 3e-63 PDB 1KLV "A Chain A, Solution Structure And BackboneDynamics Of Gabarap, Gabaa Receptor Associated Protein" 100.00 117 100 100 3e-63 PDB 1KM7 "A Chain A, Solution Structure And BackboneDynamics Of Gabarap, Gabaa Receptor Associated Protein" 100.00 117 100 100 3e-63 PDB 1KJT "A Chain A, Crystal Structure Of The Gaba(A)Receptor Associated Protein, Gabarap" 98.32 119 100 100 3e-63 PDB 1KOT "A Chain A, Solution Structure Of Human GabaReceptor Associated Protein Gabarap" 98.32 119 100 100 3e-63 DBJ BAB21549.1 "MAP1 light chain 3 related protein[Homo sapiens]" 100.00 117 100 100 3e-63 DBJ BAB27806.1 "unnamed protein product [Mus musculus]" 100.00 117 100 100 3e-63 DBJ BAB22426.1 "unnamed protein product [Mus musculus]" 100.00 117 99 100 6e-63 EMBL CAG00707.1 "unnamed protein product [Tetraodonnigroviridis]" 100.86 116 98 98 3e-61 EMBL CAG33324.1 "GABARAP [Homo sapiens]" 100.00 117 100 100 3e-63 EMBL CAG47031.1 "GABARAP [Homo sapiens]" 100.00 117 100 100 3e-63 GenBank AAD02337.1 "MM46 [Homo sapiens]" 100.00 117 100 100 3e-63 GenBank AAD32455.1 "ganglioside expression factor 2 homolog[Homo sapiens]" 100.00 117 100 100 3e-63 GenBank AAD47641.1 "GABA-A receptor-associated protein [Homosapiens]" 100.00 117 100 100 3e-63 GenBank AAD47642.1 "GABA-A receptor-associated protein [Musmusculus]" 100.00 117 100 100 3e-63 GenBank AAD47643.1 "GABA-A receptor-associated protein[Rattus norvegicus]" 100.00 117 100 100 3e-63 REF NP_009209.1 "GABA(A) receptor-associated protein;GABA(A)-receptor-associated protein [Homo sapiens]" 100.00 117 100 100 3e-63 REF NP_062723.1 "gamma-aminobutyric acid reseptorassociated protein; GABA-A receptor-associated protein[Mus musculus]" 100.00 117 100 100 3e-63 REF NP_742033.1 "gamma-aminobutyric acid reseptorassociated protein [Rattus norvegicus]" 100.00 117 100 100 3e-63 SWISS-PROT O95166 "GBAP_HUMAN Gamma-aminobutyric acid receptorassociated protein (GABA(A) receptor-associated protein)(MM46) (HT004)" 100.00 117 100 100 3e-63 SWISS-PROT P60517 "GBAP_RAT Gamma-aminobutyric acid receptorassociated protein (GABA(A) receptor-associated protein)" 100.00 117 100 100 3e-63 SWISS-PROT Q8MK68 "GBAP_RABIT Gamma-aminobutyric acid receptorassociated protein (GABA(A) receptor-associated protein)" 100.00 117 100 100 3e-63 SWISS-PROT Q9DCD6 "GBAP_MOUSE Gamma-aminobutyric acid receptorassociated protein (GABA(A) receptor-associated protein)" 100.00 117 100 100 3e-63 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 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 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 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 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 2D 1H-1H NOESY 2D 1H-13C HSQC 2D 1H-15N HSQC 3D 1H-1H-15N NOESY 3D 1H-1H-15N TOCSY 1H-13C-1H HCCH-TOCSY 3D CBCA(CO)NH 3D HNCA 3D HNCO 3D HNHA ; save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions 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 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 # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts 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 loop_ _Atom_shift_assign_ID _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 55.70 0.74 1 8 1 MET CB C 33.49 0.74 1 9 1 MET N N 122.25 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 55.36 0.74 1 21 2 LYS CB C 33.44 0.74 1 22 2 LYS N N 125.65 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 57.48 0.74 1 28 3 PHE CB C 40.36 0.74 1 29 3 PHE N N 124.10 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 59.38 0.74 1 38 17 GLU CB C 29.22 0.74 1 39 17 GLU N N 121.91 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 47.31 0.74 1 44 18 GLY N N 110.02 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 59.31 0.74 1 52 19 GLU CB C 29.72 0.74 1 53 19 GLU N N 120.82 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 59.61 0.74 1 65 20 LYS CB C 32.32 0.74 1 66 20 LYS N N 118.67 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 64.64 0.74 1 75 21 ILE CB C 38.22 0.74 1 76 21 ILE N N 121.49 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 56.12 0.74 1 86 22 ARG CB C 27.90 0.74 1 87 22 ARG N N 119.66 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 57.98 0.74 1 99 23 LYS CB C 32.64 0.74 1 100 23 LYS N N 117.17 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 58.17 0.74 1 112 24 LYS CB C 33.42 0.74 1 113 24 LYS N N 119.17 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 53.56 0.74 1 119 25 TYR CB C 38.34 0.74 1 120 25 TYR N N 115.49 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 64.53 0.74 1 129 26 PRO CB C 31.75 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 52.96 0.74 1 135 27 ASP CB C 40.26 0.74 1 136 27 ASP N N 115.45 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 53.73 0.74 1 146 28 ARG CB C 34.00 0.74 1 147 28 ARG N N 119.69 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 57.10 0.74 1 153 29 VAL CB C 33.93 0.74 1 154 29 VAL N N 116.67 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 60.97 0.74 1 161 30 PRO CB C 31.46 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 59.19 0.74 1 168 31 VAL CB C 36.12 0.74 1 169 31 VAL N N 123.90 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 56.84 0.74 1 178 32 ILE CB C 36.46 0.74 1 179 32 ILE N N 128.52 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 59.82 0.74 1 186 33 VAL CB C 33.81 0.74 1 187 33 VAL N N 127.00 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 54.58 0.74 1 195 34 GLU CB C 36.18 0.74 1 196 34 GLU N N 121.70 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 56.07 0.74 1 206 35 LYS CB C 32.70 0.74 1 207 35 LYS N N 123.84 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 50.71 0.74 1 212 36 ALA CB C 17.72 0.74 1 213 36 ALA N N 130.70 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 64.77 0.74 1 222 37 PRO CB C 31.93 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 56.70 0.74 1 234 38 LYS CB C 31.21 0.74 1 235 38 LYS N N 114.83 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 52.84 0.74 1 240 39 ALA CB C 20.52 0.74 1 241 39 ALA N N 122.43 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 55.70 0.74 1 251 40 ARG CB C 29.30 0.74 1 252 40 ARG N N 125.20 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 60.18 0.74 1 260 41 ILE CB C 40.36 0.74 1 261 41 ILE N N 115.70 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 45.36 0.74 1 266 42 GLY N N 108.23 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 54.03 0.74 1 272 43 ASP CB C 42.77 0.74 1 273 43 ASP N N 119.10 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 54.01 0.74 1 281 44 LEU CB C 44.60 0.74 1 282 44 LEU N N 123.79 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 55.19 0.74 1 288 45 ASP CB C 39.76 0.74 1 289 45 ASP N N 122.70 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 55.30 0.74 1 299 46 LYS CB C 34.37 0.74 1 300 46 LYS N N 120.87 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 56.61 0.74 1 312 47 LYS CB C 34.68 0.74 1 313 47 LYS N N 123.67 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 54.99 0.74 1 325 48 LYS CB C 34.23 0.74 1 326 48 LYS N N 119.41 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 57.17 0.74 1 332 49 TYR CB C 42.46 0.74 1 333 49 TYR N N 125.49 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 53.75 0.74 1 342 50 LEU CB C 42.29 0.74 1 343 50 LEU N N 125.18 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 58.26 0.74 1 348 51 VAL CB C 42.32 0.74 1 349 51 VAL N N 121.73 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 63.54 0.74 1 358 52 PRO CB C 32.30 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 60.95 0.74 1 364 53 SER CB C 63.00 0.74 1 365 53 SER N N 118.59 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 53.25 0.74 1 371 54 ASP CB C 40.11 0.74 1 372 54 ASP N N 115.62 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 55.56 0.74 1 381 55 LEU CB C 43.52 0.74 1 382 55 LEU N N 124.05 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 60.93 0.74 1 388 56 THR CB C 71.49 0.74 1 389 56 THR N N 117.01 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 66.57 0.74 1 395 57 VAL CB C 31.36 0.74 1 396 57 VAL N N 123.37 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 47.65 0.74 1 401 58 GLY N N 105.77 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 58.72 0.74 1 407 59 GLN CB C 28.72 0.74 1 408 59 GLN N N 121.95 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 61.21 0.74 1 414 60 PHE CB C 39.32 0.74 1 415 60 PHE N N 125.99 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 61.47 0.74 1 421 61 TYR CB C 38.04 0.74 1 422 61 TYR N N 119.04 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 61.67 0.74 1 428 62 PHE CB C 38.54 0.74 1 429 62 PHE N N 117.29 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 58.36 0.74 1 438 63 LEU CB C 42.11 0.74 1 439 63 LEU N N 120.62 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 61.31 0.74 1 448 64 ILE CB C 34.73 0.74 1 449 64 ILE N N 120.21 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 60.64 0.74 1 459 65 ARG CB C 30.20 0.74 1 460 65 ARG N N 119.11 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 58.36 0.74 1 472 66 LYS CB C 32.04 0.74 1 473 66 LYS N N 115.83 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 58.42 0.74 1 483 67 ARG CB C 30.59 0.74 1 484 67 ARG N N 119.23 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 61.23 0.74 1 493 68 ILE CB C 38.28 0.74 1 494 68 ILE N N 112.87 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 46.03 0.74 1 500 69 HIS CB C 25.84 0.74 1 501 69 HIS N N 115.85 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 54.39 0.74 1 509 70 LEU CB C 43.11 0.74 1 510 70 LEU N N 119.46 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 55.21 0.74 1 520 71 ARG CB C 30.80 0.74 1 521 71 ARG N N 123.90 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 55.31 0.74 1 526 72 ALA CB C 18.23 0.74 1 527 72 ALA N N 125.24 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 57.22 0.74 1 535 73 GLU CB C 28.84 0.74 1 536 73 GLU N N 112.40 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 54.65 0.74 1 542 74 ASP CB C 42.19 0.74 1 543 74 ASP N N 121.79 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 52.13 0.74 1 548 75 ALA CB C 20.54 0.74 1 549 75 ALA N N 127.32 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 54.80 0.74 1 558 76 LEU CB C 44.43 0.74 1 559 76 LEU N N 117.30 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 57.12 0.74 1 565 77 PHE CB C 42.93 0.74 1 566 77 PHE N N 124.27 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 52.04 0.74 1 572 78 PHE CB C 41.71 0.74 1 573 78 PHE N N 120.18 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 56.25 0.74 1 579 79 PHE CB C 43.64 0.74 1 580 79 PHE N N 112.55 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 59.90 0.74 1 587 80 VAL CB C 33.78 0.74 1 588 80 VAL N N 122.33 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 55.14 0.74 1 594 81 ASN CB C 37.43 0.74 1 595 81 ASN N N 126.80 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 55.61 0.74 1 601 82 ASN CB C 38.23 0.74 1 602 82 ASN N N 107.09 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 60.62 0.74 1 609 83 VAL CB C 35.03 0.74 1 610 83 VAL N N 119.40 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 58.42 0.74 1 619 84 ILE CB C 38.82 0.74 1 620 84 ILE N N 127.76 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 62.07 0.74 1 629 86 PRO CB C 31.82 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 64.83 0.74 1 635 87 THR CB C 68.77 0.74 1 636 87 THR N N 113.97 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 57.73 0.74 1 640 88 SER CB C 63.37 0.74 1 641 88 SER N N 111.33 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 52.39 0.74 1 646 89 ALA CB C 18.96 0.74 1 647 89 ALA N N 125.23 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 59.83 0.74 1 653 90 THR CB C 70.62 0.74 1 654 90 THR N N 108.90 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 55.76 0.74 1 663 91 MET CB C 28.54 0.74 1 664 91 MET N N 120.18 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 47.07 0.74 1 669 92 GLY N N 108.30 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 58.86 0.74 1 677 93 GLN CB C 27.85 0.74 1 678 93 GLN N N 124.82 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 57.81 0.74 1 686 94 LEU CB C 42.47 0.74 1 687 94 LEU N N 120.74 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 63.29 0.74 1 693 95 TYR CB C 39.40 0.74 1 694 95 TYR N N 119.01 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 59.23 0.74 1 702 96 GLN CB C 28.31 0.74 1 703 96 GLN N N 120.26 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 58.23 0.74 1 711 97 GLU CB C 31.19 0.74 1 712 97 GLU N N 115.02 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 56.35 0.74 1 718 98 HIS CB C 33.24 0.74 1 719 98 HIS N N 112.19 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 56.94 0.74 1 725 99 HIS CB C 26.43 0.74 1 726 99 HIS N N 119.34 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 56.71 0.74 1 734 100 GLU CB C 31.01 0.74 1 735 100 GLU N N 121.10 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 53.19 0.74 1 741 102 ASP CB C 40.41 0.74 1 742 102 ASP N N 115.44 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 61.24 0.74 1 748 103 PHE CB C 34.69 0.74 1 749 103 PHE N N 103.19 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 59.15 0.74 1 755 104 PHE CB C 41.07 0.74 1 756 104 PHE N N 119.44 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 53.18 0.74 1 764 105 LEU CB C 45.98 0.74 1 765 105 LEU N N 121.86 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 57.74 0.74 1 771 106 TYR CB C 38.64 0.74 1 772 106 TYR N N 127.15 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 59.85 0.74 1 781 107 ILE CB C 41.58 0.74 1 782 107 ILE N N 123.87 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 48.86 0.74 1 787 108 ALA CB C 23.06 0.74 1 788 108 ALA N N 128.14 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 55.07 0.74 1 794 109 TYR CB C 42.82 0.74 1 795 109 TYR N N 116.13 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 55.86 0.74 1 801 110 SER CB C 65.03 0.74 1 802 110 SER N N 112.60 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 54.03 0.74 1 808 111 ASP CB C 40.64 0.74 1 809 111 ASP N N 120.40 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 54.94 0.74 1 817 112 GLU CB C 33.08 0.74 1 818 112 GLU N N 119.38 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 59.74 0.74 1 824 113 SER CB C 60.42 0.74 1 825 113 SER N N 112.43 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 61.15 0.74 1 831 114 VAL CB C 34.12 0.74 1 832 114 VAL N N 119.20 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 58.71 0.74 1 838 115 TYR CB C 37.89 0.74 1 839 115 TYR N N 127.53 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 45.11 0.74 1 844 116 GLY N N 112.81 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 56.24 0.74 1 851 117 LEU CB C 43.32 0.74 1 852 117 LEU N N 127.20 0.43 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 3,4,5,6 12,13,14,15,16,17,18,19 33,34,35,36 47,48,49,50 56,57,58,59,60,61,62,63 69,70,71,72,73 79,80,81,82,83,84 90,91,92,93,94,95,96,97 103,104,105,106,107,108,109,110 122,123,124,125,126,127 139,140,141,142,143,144 150,151 156,157,158,159 164,165,166 172,173,174,175,176 182,183,184 190,191,192,193 199,200,201,202,203,204 215,216,217,218,219,220 225,226,227,228,229,230,231,232 244,245,246,247,248,249 255,256,257,258 276,277,278,279 292,293,294,295,296,297 303,304,305,306,307,308,309,310 316,317,318,319,320,321,322,323 336,337,338,339,340 345,346 351,352,353,354,355,356 361,362 375,376,377,378,379 385,386 392,393 404,405 432,433,434,435,436 442,443,444,445,446 452,453,454,455,456,457 463,464,465,466,467,468,469,470 476,477,478,479,480,481 487,488,489,490,491 504,505,506,507 513,514,515,516,517,518 530,531,532,533 552,553,554,555,556 583,584,585 605,606,607 613,614,615,616,617 622,623,624,625,626,627 632,633 650,651 657,658,659,660,661 672,673,674,675 681,682,683,684 697,698,699,700 706,707,708,709 729,730,731,732 759,760,761,762 775,776,777,778,779 812,813,814,815 828,829 847,848,849 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 loop_ _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_value_error 3JHNHA 1 MET H 1 MET HA 6.5 . 3JHNHA 2 LYS H 2 LYS HA 9.0 . 3JHNHA 3 PHE H 3 PHE HA 8.8 . 3JHNHA 21 ILE H 21 ILE HA 4.9 . 3JHNHA 24 LYS H 24 LYS HA 6.4 . 3JHNHA 25 TYR H 25 TYR HA 11.4 . 3JHNHA 27 ASP H 27 ASP HA 9.4 . 3JHNHA 29 VAL H 29 VAL HA 9.4 . 3JHNHA 32 ILE H 32 ILE HA 9.3 . 3JHNHA 33 VAL H 33 VAL HA 9.0 . 3JHNHA 34 GLU H 34 GLU HA 8.4 . 3JHNHA 36 ALA H 36 ALA HA 3.9 . 3JHNHA 38 LYS H 38 LYS HA 8.1 . 3JHNHA 39 ALA H 39 ALA HA 4.2 . 3JHNHA 40 ARG H 40 ARG HA 9.1 . 3JHNHA 41 ILE H 41 ILE HA 8.6 . 3JHNHA 43 ASP H 43 ASP HA 6.6 . 3JHNHA 44 LEU H 44 LEU HA 8.2 . 3JHNHA 45 ASP H 45 ASP HA 6.5 . 3JHNHA 46 LYS H 46 LYS HA 6.6 . 3JHNHA 48 LYS H 48 LYS HA 6.0 . 3JHNHA 49 TYR H 49 TYR HA 10.5 . 3JHNHA 50 LEU H 50 LEU HA 9.3 . 3JHNHA 54 ASP H 54 ASP HA 8.4 . 3JHNHA 55 LEU H 55 LEU HA 5.3 . 3JHNHA 56 THR H 56 THR HA 7.0 . 3JHNHA 59 GLN H 59 GLN HA 6.0 . 3JHNHA 60 PHE H 60 PHE HA 5.1 . 3JHNHA 61 TYR H 61 TYR HA 3.8 . 3JHNHA 63 LEU H 63 LEU HA 4.9 . 3JHNHA 66 LYS H 66 LYS HA 5.2 . 3JHNHA 67 ARG H 67 ARG HA 5.8 . 3JHNHA 69 HIS H 69 HIS HA 8.0 . 3JHNHA 71 ARG H 71 ARG HA 7.1 . 3JHNHA 73 GLU H 73 GLU HA 6.3 . 3JHNHA 74 ASP H 74 ASP HA 7.3 . 3JHNHA 75 ALA H 75 ALA HA 6.0 . 3JHNHA 76 LEU H 76 LEU HA 7.3 . 3JHNHA 79 PHE H 79 PHE HA 10.3 . 3JHNHA 80 VAL H 80 VAL HA 10.1 . 3JHNHA 81 ASN H 81 ASN HA 7.8 . 3JHNHA 83 VAL H 83 VAL HA 10.6 . 3JHNHA 84 ILE H 84 ILE HA 5.9 . 3JHNHA 88 SER H 88 SER HA 8.0 . 3JHNHA 89 ALA H 89 ALA HA 7.4 . 3JHNHA 90 THR H 90 THR HA 7.8 . 3JHNHA 93 GLN H 93 GLN HA 5.6 . 3JHNHA 94 LEU H 94 LEU HA 4.5 . 3JHNHA 95 TYR H 95 TYR HA 3.8 . 3JHNHA 96 GLN H 96 GLN HA 4.2 . 3JHNHA 97 GLU H 97 GLU HA 6.7 . 3JHNHA 98 HIS H 98 HIS HA 10.3 . 3JHNHA 107 ILE H 107 ILE HA 10.1 . 3JHNHA 108 ALA H 108 ALA HA 9.1 . 3JHNHA 109 TYR H 109 TYR HA 8.5 . 3JHNHA 110 SER H 110 SER HA 8.0 . 3JHNHA 113 SER H 113 SER HA 6.3 . 3JHNHA 114 VAL H 114 VAL HA 9.9 . 3JHNHA 117 LEU H 117 LEU HA 9.2 . stop_ save_