data_6610 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; apg8a.title ; _BMRB_accession_number 6610 _BMRB_flat_file_name bmr6610.str _Entry_type original _Submission_date 2005-04-26 _Accession_date 2005-04-26 _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 Chae 'Young Kee' . . 2 Lee Kyunghee . . 3 Markley John L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 188 "13C chemical shifts" 282 "15N chemical shifts" 95 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-10-26 original author . stop_ _Original_release_date 2005-10-26 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N and 13C Resonance Assignments of a Protein Involved in the Autophagy Process, At4g21980.1 from Arabidopsis thaliana ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16211491 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chae 'Young Kee' . . 2 Lee Kyunghee . . 3 Markley John L. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 32 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 337 _Page_last 337 _Year 2005 _Details . loop_ _Keyword apg8a stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name apg8a _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label apg8a $apg8a stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_apg8a _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common apg8a _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 117 _Mol_residue_sequence ; MAKSSFKISNPLEARMSESS RIREKYPDRIPVIVEKAGQS DVPDIDKKKYLVPADLTVGQ FVYVVRKRIKLGAEKAIFVF VKNTLPPTAALMSAIYEEHK DEDGFLYMTYSGENTFG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 LYS 4 SER 5 SER 6 PHE 7 LYS 8 ILE 9 SER 10 ASN 11 PRO 12 LEU 13 GLU 14 ALA 15 ARG 16 MET 17 SER 18 GLU 19 SER 20 SER 21 ARG 22 ILE 23 ARG 24 GLU 25 LYS 26 TYR 27 PRO 28 ASP 29 ARG 30 ILE 31 PRO 32 VAL 33 ILE 34 VAL 35 GLU 36 LYS 37 ALA 38 GLY 39 GLN 40 SER 41 ASP 42 VAL 43 PRO 44 ASP 45 ILE 46 ASP 47 LYS 48 LYS 49 LYS 50 TYR 51 LEU 52 VAL 53 PRO 54 ALA 55 ASP 56 LEU 57 THR 58 VAL 59 GLY 60 GLN 61 PHE 62 VAL 63 TYR 64 VAL 65 VAL 66 ARG 67 LYS 68 ARG 69 ILE 70 LYS 71 LEU 72 GLY 73 ALA 74 GLU 75 LYS 76 ALA 77 ILE 78 PHE 79 VAL 80 PHE 81 VAL 82 LYS 83 ASN 84 THR 85 LEU 86 PRO 87 PRO 88 THR 89 ALA 90 ALA 91 LEU 92 MET 93 SER 94 ALA 95 ILE 96 TYR 97 GLU 98 GLU 99 HIS 100 LYS 101 ASP 102 GLU 103 ASP 104 GLY 105 PHE 106 LEU 107 TYR 108 MET 109 THR 110 TYR 111 SER 112 GLY 113 GLU 114 ASN 115 THR 116 PHE 117 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-25 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 DBJ BAB88387 "autophagy 8a [Arabidopsis thaliana]" 100.00 122 100.00 100.00 1.03e-78 EMBL CAA18101 "symbiosis-related like protein [Arabidopsis thaliana]" 87.18 107 100.00 100.00 2.61e-67 EMBL CAB79153 "symbiosis-related like protein [Arabidopsis thaliana]" 87.18 107 100.00 100.00 2.61e-67 GB AAM62580 "symbiosis-related like protein [Arabidopsis thaliana]" 100.00 122 99.15 100.00 1.10e-78 GB AAM70188 "autophagy APG8 [Arabidopsis thaliana]" 100.00 122 100.00 100.00 1.03e-78 GB AAN72035 "symbiosis-related like protein [Arabidopsis thaliana]" 100.00 122 100.00 100.00 1.03e-78 GB AAP21330 "At4g21980 [Arabidopsis thaliana]" 100.00 122 100.00 100.00 1.03e-78 GB AEE84537 "autophagy-related protein 8a [Arabidopsis thaliana]" 100.00 122 100.00 100.00 1.03e-78 REF NP_001078424 "autophagy-related protein 8a [Arabidopsis thaliana]" 100.00 137 100.00 100.00 7.88e-79 REF NP_567642 "autophagy-related protein 8a [Arabidopsis thaliana]" 100.00 122 100.00 100.00 1.03e-78 REF XP_002869850 "predicted protein [Arabidopsis lyrata subsp. lyrata]" 100.00 137 100.00 100.00 1.57e-78 REF XP_006284768 "hypothetical protein CARUB_v10006036mg [Capsella rubella]" 100.00 122 99.15 100.00 1.94e-78 REF XP_006413700 "hypothetical protein EUTSA_v10026531mg [Eutrema salsugineum]" 100.00 137 97.44 99.15 3.92e-77 SP Q8LEM4 "RecName: Full=Autophagy-related protein 8a; AltName: Full=Autophagy-related ubiquitin-like modifier ATG8a; Short=AtAPG8a; Short" 100.00 122 100.00 100.00 1.03e-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 $apg8a 'arabidopsis thaliana' 3702 Eukaryota Viridiplantae arabidopsis thaliana 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 $apg8a 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_apg8a.sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $apg8a 1.0 mM '[U-15N; U-13C]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_label_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ save_spectrometer_label_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_n15-hsqc_1 _Saveframe_category NMR_applied_experiment _Experiment_name n15-hsqc _Sample_label . save_ save_hnca_2 _Saveframe_category NMR_applied_experiment _Experiment_name hnca _Sample_label . save_ save_hncoca_3 _Saveframe_category NMR_applied_experiment _Experiment_name hncoca _Sample_label . save_ save_cbcaconh_4 _Saveframe_category NMR_applied_experiment _Experiment_name cbcaconh _Sample_label . save_ save_n15-tocsy_5 _Saveframe_category NMR_applied_experiment _Experiment_name n15-tocsy _Sample_label . save_ save_hnco_6 _Saveframe_category NMR_applied_experiment _Experiment_name hnco _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_condition_label _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.1 pH temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_cs_ref_label _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_cs_list_label _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $apg8a.sample stop_ _Sample_conditions_label $sample_condition_label _Chem_shift_reference_set_label $cs_ref_label _Mol_system_component_name apg8a _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 1 MET C C 175.573 0.1 1 2 1 1 MET CA C 55.328 0.1 1 3 1 1 MET CB C 33.044 0.1 1 4 2 2 ALA H H 8.328 0.05 1 5 2 2 ALA C C 177.506 0.1 1 6 2 2 ALA CA C 52.518 0.1 1 7 2 2 ALA CB C 19.541 0.1 1 8 2 2 ALA N N 125.671 0.1 1 9 3 3 LYS H H 8.336 0.05 1 10 3 3 LYS CA C 56.258 0.1 1 11 3 3 LYS N N 121.116 0.1 1 12 13 13 GLU C C 178.858 0.1 1 13 14 14 ALA H H 7.197 0.05 1 14 14 14 ALA HA H 4.385 0.05 1 15 14 14 ALA C C 180.744 0.1 1 16 14 14 ALA CA C 54.665 0.1 1 17 14 14 ALA CB C 18.761 0.1 1 18 14 14 ALA N N 122.104 0.1 1 19 15 15 ARG H H 8.191 0.05 1 20 15 15 ARG HA H 4.324 0.05 1 21 15 15 ARG C C 177.635 0.1 1 22 15 15 ARG CA C 61.059 0.1 1 23 15 15 ARG N N 121.009 0.1 1 24 16 16 MET H H 8.95 0.05 1 25 16 16 MET C C 179.006 0.1 1 26 16 16 MET CA C 58.634 0.1 1 27 16 16 MET CB C 33.613 0.1 1 28 16 16 MET N N 117.11 0.1 1 29 17 17 SER H H 7.981 0.05 1 30 17 17 SER HA H 4.311 0.05 1 31 17 17 SER C C 176.476 0.1 1 32 17 17 SER CA C 61.425 0.1 1 33 17 17 SER CB C 63.161 0.1 1 34 17 17 SER N N 114.302 0.1 1 35 18 18 GLU H H 8.187 0.05 1 36 18 18 GLU HA H 4.386 0.05 1 37 18 18 GLU C C 178.557 0.1 1 38 18 18 GLU CA C 59.424 0.1 1 39 18 18 GLU CB C 29.691 0.1 1 40 18 18 GLU N N 122.496 0.1 1 41 19 19 SER H H 8.995 0.05 1 42 19 19 SER C C 177.199 0.1 1 43 19 19 SER CA C 61.728 0.1 1 44 19 19 SER CB C 60.212 0.1 1 45 19 19 SER N N 116.174 0.1 1 46 20 20 SER H H 7.996 0.05 1 47 20 20 SER HA H 4.195 0.05 1 48 20 20 SER C C 176.758 0.1 1 49 20 20 SER CA C 61.984 0.1 1 50 20 20 SER CB C 63.015 0.1 1 51 20 20 SER N N 118.286 0.1 1 52 21 21 ARG H H 8.001 0.05 1 53 21 21 ARG HA H 4.188 0.05 1 54 21 21 ARG C C 179.251 0.1 1 55 21 21 ARG CA C 59.377 0.1 1 56 21 21 ARG CB C 30.464 0.1 1 57 21 21 ARG N N 122.714 0.1 1 58 22 22 ILE H H 8.252 0.05 1 59 22 22 ILE HA H 3.816 0.05 1 60 22 22 ILE C C 177.145 0.1 1 61 22 22 ILE CA C 65.285 0.1 1 62 22 22 ILE N N 120.247 0.1 1 63 23 23 ARG H H 8.048 0.05 1 64 23 23 ARG HA H 4.092 0.05 1 65 23 23 ARG C C 178.054 0.1 1 66 23 23 ARG CA C 57.731 0.1 1 67 23 23 ARG N N 118.103 0.1 1 68 24 24 GLU H H 7.747 0.05 1 69 24 24 GLU HA H 4.082 0.05 1 70 24 24 GLU C C 177.797 0.1 1 71 24 24 GLU CA C 58.405 0.1 1 72 24 24 GLU CB C 30.32 0.1 1 73 24 24 GLU N N 117.383 0.1 1 74 25 25 LYS H H 7.799 0.05 1 75 25 25 LYS HA H 3.931 0.05 1 76 25 25 LYS C C 176.372 0.1 1 77 25 25 LYS CA C 57.957 0.1 1 78 25 25 LYS CB C 33.576 0.1 1 79 25 25 LYS N N 118.203 0.1 1 80 26 26 TYR H H 8.418 0.05 1 81 26 26 TYR HA H 5.106 0.05 1 82 26 26 TYR CA C 53.975 0.1 1 83 26 26 TYR N N 116.416 0.1 1 84 27 27 PRO HA H 4.575 0.05 1 85 27 27 PRO C C 176.884 0.1 1 86 27 27 PRO CA C 64.752 0.1 1 87 27 27 PRO CB C 32.02 0.1 1 88 28 28 ASP H H 8.593 0.05 1 89 28 28 ASP HA H 4.69 0.05 1 90 28 28 ASP C C 175.619 0.1 1 91 28 28 ASP CA C 53.23 0.1 1 92 28 28 ASP CB C 40.463 0.1 1 93 28 28 ASP N N 115.427 0.1 1 94 29 29 ARG H H 7.907 0.05 1 95 29 29 ARG HA H 4.939 0.05 1 96 29 29 ARG C C 174.319 0.1 1 97 29 29 ARG CA C 53.569 0.1 1 98 29 29 ARG CB C 33.524 0.1 1 99 29 29 ARG N N 118.119 0.1 1 100 30 30 ILE H H 9.282 0.05 1 101 30 30 ILE HA H 4.17 0.05 1 102 30 30 ILE CA C 55.672 0.1 1 103 30 30 ILE N N 119.872 0.1 1 104 31 31 PRO C C 174.368 0.1 1 105 31 31 PRO CA C 61.456 0.1 1 106 31 31 PRO CB C 31.093 0.1 1 107 32 32 VAL H H 8.991 0.05 1 108 32 32 VAL HA H 5.132 0.05 1 109 32 32 VAL C C 174.102 0.1 1 110 32 32 VAL CA C 60.389 0.1 1 111 32 32 VAL CB C 35.99 0.1 1 112 32 32 VAL N N 126.484 0.1 1 113 33 33 ILE H H 8.939 0.05 1 114 33 33 ILE HA H 4.998 0.05 1 115 33 33 ILE C C 175.19 0.1 1 116 33 33 ILE CA C 57.158 0.1 1 117 33 33 ILE CB C 37.243 0.1 1 118 33 33 ILE N N 128.066 0.1 1 119 34 34 VAL H H 9.289 0.05 1 120 34 34 VAL HA H 5.106 0.05 1 121 34 34 VAL C C 174.418 0.1 1 122 34 34 VAL CA C 60.707 0.1 1 123 34 34 VAL CB C 34.191 0.1 1 124 34 34 VAL N N 126.997 0.1 1 125 35 35 GLU H H 8.119 0.05 1 126 35 35 GLU HA H 4.982 0.05 1 127 35 35 GLU C C 174.505 0.1 1 128 35 35 GLU CA C 53.913 0.1 1 129 35 35 GLU CB C 35.436 0.1 1 130 35 35 GLU N N 121.802 0.1 1 131 36 36 LYS H H 9.018 0.05 1 132 36 36 LYS HA H 3.147 0.05 1 133 36 36 LYS C C 177.182 0.1 1 134 36 36 LYS CA C 56.809 0.1 1 135 36 36 LYS CB C 33.122 0.1 1 136 36 36 LYS N N 123.613 0.1 1 137 37 37 ALA H H 8.719 0.05 1 138 37 37 ALA HA H 4.313 0.05 1 139 37 37 ALA C C 178.049 0.1 1 140 37 37 ALA CA C 52.461 0.1 1 141 37 37 ALA CB C 19.68 0.1 1 142 37 37 ALA N N 129.135 0.1 1 143 38 38 GLY H H 8.533 0.05 1 144 38 38 GLY HA2 H 3.95 0.05 1 145 38 38 GLY HA3 H 3.95 0.05 1 146 38 38 GLY CA C 46.346 0.1 1 147 38 38 GLY N N 110.097 0.1 1 148 41 41 ASP HA H 4.782 0.05 1 149 41 41 ASP C C 175.931 0.1 1 150 41 41 ASP CA C 53.9 0.1 1 151 41 41 ASP CB C 40.285 0.1 1 152 42 42 VAL H H 7.726 0.05 1 153 42 42 VAL HA H 4.652 0.05 1 154 42 42 VAL CA C 59.483 0.1 1 155 42 42 VAL N N 118.093 0.1 1 156 43 43 PRO C C 176.263 0.1 1 157 43 43 PRO CA C 63.293 0.1 1 158 43 43 PRO CB C 32.911 0.1 1 159 44 44 ASP H H 8.479 0.05 1 160 44 44 ASP C C 174.768 0.1 1 161 44 44 ASP CA C 54.116 0.1 1 162 44 44 ASP CB C 42.288 0.1 1 163 44 44 ASP N N 120.597 0.1 1 164 45 45 ILE H H 8.408 0.05 1 165 45 45 ILE HA H 4.504 0.05 1 166 45 45 ILE C C 174.844 0.1 1 167 45 45 ILE CA C 60.713 0.1 1 168 45 45 ILE CB C 40.75 0.1 1 169 45 45 ILE N N 121.566 0.1 1 170 46 46 ASP H H 8.493 0.05 1 171 46 46 ASP HA H 4.48 0.05 1 172 46 46 ASP C C 175.927 0.1 1 173 46 46 ASP CA C 55.492 0.1 1 174 46 46 ASP CB C 40.633 0.1 1 175 46 46 ASP N N 123.704 0.1 1 176 47 47 LYS H H 7.442 0.05 1 177 47 47 LYS HA H 4.431 0.05 1 178 47 47 LYS CA C 56.067 0.1 1 179 47 47 LYS N N 121.581 0.1 1 180 48 48 LYS C C 174.574 0.1 1 181 48 48 LYS CA C 56.809 0.1 1 182 48 48 LYS CB C 34.929 0.1 1 183 49 49 LYS H H 7.219 0.05 1 184 49 49 LYS HA H 5.027 0.05 1 185 49 49 LYS C C 175.346 0.1 1 186 49 49 LYS CA C 55.456 0.1 1 187 49 49 LYS CB C 34.017 0.1 1 188 49 49 LYS N N 118.688 0.1 1 189 50 50 TYR H H 9.73 0.05 1 190 50 50 TYR HA H 5.022 0.05 1 191 50 50 TYR C C 173.915 0.1 1 192 50 50 TYR CA C 57.184 0.1 1 193 50 50 TYR N N 125.467 0.1 1 194 51 51 LEU H H 8.683 0.05 1 195 51 51 LEU HA H 4.839 0.05 1 196 51 51 LEU C C 176.567 0.1 1 197 51 51 LEU CA C 53.551 0.1 1 198 51 51 LEU CB C 41.765 0.1 1 199 51 51 LEU N N 124.65 0.1 1 200 52 52 VAL H H 8.714 0.05 1 201 52 52 VAL HA H 4.594 0.05 1 202 52 52 VAL CA C 59.8 0.1 1 203 52 52 VAL N N 124.339 0.1 1 204 53 53 PRO C C 176.598 0.1 1 205 53 53 PRO CA C 64.166 0.1 1 206 53 53 PRO CB C 32.364 0.1 1 207 54 54 ALA H H 8.198 0.05 1 208 54 54 ALA HA H 4.342 0.05 1 209 54 54 ALA C C 176.298 0.1 1 210 54 54 ALA CA C 54.605 0.1 1 211 54 54 ALA CB C 19.174 0.1 1 212 54 54 ALA N N 124.498 0.1 1 213 55 55 ASP H H 8.145 0.05 1 214 55 55 ASP HA H 4.678 0.05 1 215 55 55 ASP C C 176.265 0.1 1 216 55 55 ASP CA C 52.881 0.1 1 217 55 55 ASP CB C 40.052 0.1 1 218 55 55 ASP N N 110.857 0.1 1 219 56 56 LEU H H 7.488 0.05 1 220 56 56 LEU HA H 4.391 0.05 1 221 56 56 LEU C C 177.539 0.1 1 222 56 56 LEU CA C 55.621 0.1 1 223 56 56 LEU CB C 43.487 0.1 1 224 56 56 LEU N N 121.107 0.1 1 225 57 57 THR H H 8.36 0.05 1 226 57 57 THR HA H 5.227 0.05 1 227 57 57 THR C C 176.742 0.1 1 228 57 57 THR CA C 60.392 0.1 1 229 57 57 THR CB C 71.474 0.1 1 230 57 57 THR N N 113.081 0.1 1 231 58 58 VAL H H 9.063 0.05 1 232 58 58 VAL HA H 3.755 0.05 1 233 58 58 VAL C C 178.639 0.1 1 234 58 58 VAL CA C 66.719 0.1 1 235 58 58 VAL CB C 31.726 0.1 1 236 58 58 VAL N N 122.8 0.1 1 237 59 59 GLY H H 9.55 0.05 1 238 59 59 GLY HA2 H 3.707 0.05 1 239 59 59 GLY HA3 H 3.707 0.05 1 240 59 59 GLY C C 176.884 0.1 1 241 59 59 GLY CA C 47.441 0.1 1 242 59 59 GLY N N 105.622 0.1 1 243 60 60 GLN H H 7.991 0.05 1 244 60 60 GLN HA H 4.137 0.05 1 245 60 60 GLN C C 179.35 0.1 1 246 60 60 GLN CA C 58.72 0.1 1 247 60 60 GLN CB C 29.535 0.1 1 248 60 60 GLN N N 120.374 0.1 1 249 61 61 PHE H H 8.791 0.05 1 250 61 61 PHE HA H 4.332 0.05 1 251 61 61 PHE C C 176.833 0.1 1 252 61 61 PHE CA C 61.137 0.1 1 253 61 61 PHE CB C 39.175 0.1 1 254 61 61 PHE N N 123.625 0.1 1 255 62 62 VAL H H 8.904 0.05 1 256 62 62 VAL HA H 2.963 0.05 1 257 62 62 VAL C C 177.291 0.1 1 258 62 62 VAL CA C 67.538 0.1 1 259 62 62 VAL CB C 31.114 0.1 1 260 62 62 VAL N N 119.765 0.1 1 261 63 63 TYR H H 7.178 0.05 1 262 63 63 TYR HA H 4.011 0.05 1 263 63 63 TYR C C 177.481 0.1 1 264 63 63 TYR CA C 62 0.1 1 265 63 63 TYR CB C 37.943 0.1 1 266 63 63 TYR N N 117.239 0.1 1 267 64 64 VAL H H 7.372 0.05 1 268 64 64 VAL HA H 3.478 0.05 1 269 64 64 VAL C C 178.758 0.1 1 270 64 64 VAL CA C 66.73 0.1 1 271 64 64 VAL CB C 31.175 0.1 1 272 64 64 VAL N N 120.8 0.1 1 273 65 65 VAL H H 7.443 0.05 1 274 65 65 VAL HA H 3.179 0.05 1 275 65 65 VAL C C 177.421 0.1 1 276 65 65 VAL CA C 66.446 0.1 1 277 65 65 VAL CB C 31.453 0.1 1 278 65 65 VAL N N 120.885 0.1 1 279 66 66 ARG H H 8.486 0.05 1 280 66 66 ARG HA H 3.393 0.05 1 281 66 66 ARG C C 178.353 0.1 1 282 66 66 ARG CA C 60.091 0.1 1 283 66 66 ARG CB C 30.685 0.1 1 284 66 66 ARG N N 117.354 0.1 1 285 67 67 LYS H H 7.707 0.05 1 286 67 67 LYS HA H 4.01 0.05 1 287 67 67 LYS C C 179.185 0.1 1 288 67 67 LYS CA C 58.468 0.1 1 289 67 67 LYS CB C 32.211 0.1 1 290 67 67 LYS N N 116.397 0.1 1 291 68 68 ARG H H 7.903 0.05 1 292 68 68 ARG HA H 4.17 0.05 1 293 68 68 ARG C C 177.994 0.1 1 294 68 68 ARG CA C 57.931 0.1 1 295 68 68 ARG CB C 29.842 0.1 1 296 68 68 ARG N N 120.007 0.1 1 297 69 69 ILE H H 7.784 0.05 1 298 69 69 ILE HA H 4.289 0.05 1 299 69 69 ILE C C 174.882 0.1 1 300 69 69 ILE CA C 61.633 0.1 1 301 69 69 ILE CB C 38.401 0.1 1 302 69 69 ILE N N 112.518 0.1 1 303 70 70 LYS H H 7.816 0.05 1 304 70 70 LYS HA H 3.903 0.05 1 305 70 70 LYS C C 175.671 0.1 1 306 70 70 LYS CA C 56.955 0.1 1 307 70 70 LYS CB C 29.313 0.1 1 308 70 70 LYS N N 119.069 0.1 1 309 71 71 LEU H H 7.644 0.05 1 310 71 71 LEU HA H 4.323 0.05 1 311 71 71 LEU C C 177.506 0.1 1 312 71 71 LEU CA C 54.673 0.1 1 313 71 71 LEU CB C 44.417 0.1 1 314 71 71 LEU N N 121.14 0.1 1 315 72 72 GLY H H 8.786 0.05 1 316 72 72 GLY HA2 H 3.991 0.05 1 317 72 72 GLY HA3 H 3.991 0.05 1 318 72 72 GLY C C 174.394 0.1 1 319 72 72 GLY CA C 45.594 0.1 1 320 72 72 GLY N N 113.503 0.1 1 321 73 73 ALA H H 8.451 0.05 1 322 73 73 ALA HA H 3.998 0.05 1 323 73 73 ALA C C 178.131 0.1 1 324 73 73 ALA CA C 54.592 0.1 1 325 73 73 ALA CB C 19.292 0.1 1 326 73 73 ALA N N 123.138 0.1 1 327 74 74 GLU H H 9.252 0.05 1 328 74 74 GLU HA H 4.529 0.05 1 329 74 74 GLU C C 176.22 0.1 1 330 74 74 GLU CA C 57.085 0.1 1 331 74 74 GLU CB C 28.784 0.1 1 332 74 74 GLU N N 115.969 0.1 1 333 75 75 LYS H H 7.673 0.05 1 334 75 75 LYS HA H 4.5 0.05 1 335 75 75 LYS C C 175.136 0.1 1 336 75 75 LYS CA C 54.817 0.1 1 337 75 75 LYS CB C 33.479 0.1 1 338 75 75 LYS N N 121.387 0.1 1 339 76 76 ALA H H 8.469 0.05 1 340 76 76 ALA HA H 4.197 0.05 1 341 76 76 ALA C C 175.987 0.1 1 342 76 76 ALA CA C 52.154 0.1 1 343 76 76 ALA CB C 20.714 0.1 1 344 76 76 ALA N N 126.567 0.1 1 345 77 77 ILE H H 7.296 0.05 1 346 77 77 ILE HA H 4.729 0.05 1 347 77 77 ILE C C 172.197 0.1 1 348 77 77 ILE CA C 59.273 0.1 1 349 77 77 ILE CB C 41.744 0.1 1 350 77 77 ILE N N 113.966 0.1 1 351 78 78 PHE H H 8.796 0.05 1 352 78 78 PHE HA H 4.468 0.05 1 353 78 78 PHE C C 174.216 0.1 1 354 78 78 PHE CA C 56.895 0.1 1 355 78 78 PHE CB C 42.377 0.1 1 356 78 78 PHE N N 123.973 0.1 1 357 79 79 VAL H H 8.571 0.05 1 358 79 79 VAL HA H 5.298 0.05 1 359 79 79 VAL C C 173.578 0.1 1 360 79 79 VAL CA C 60.162 0.1 1 361 79 79 VAL CB C 33.864 0.1 1 362 79 79 VAL N N 118.491 0.1 1 363 80 80 PHE H H 9.394 0.05 1 364 80 80 PHE HA H 5.297 0.05 1 365 80 80 PHE C C 176.499 0.1 1 366 80 80 PHE CA C 56.563 0.1 1 367 80 80 PHE CB C 42.781 0.1 1 368 80 80 PHE N N 121.51 0.1 1 369 81 81 VAL H H 8.753 0.05 1 370 81 81 VAL HA H 4.593 0.05 1 371 81 81 VAL C C 174.99 0.1 1 372 81 81 VAL CA C 60.702 0.1 1 373 81 81 VAL CB C 34.657 0.1 1 374 81 81 VAL N N 117.275 0.1 1 375 82 82 LYS H H 9.578 0.05 1 376 82 82 LYS CA C 58.23 0.1 1 377 82 82 LYS N N 127.442 0.1 1 378 83 83 ASN C C 173.974 0.1 1 379 83 83 ASN CB C 37.756 0.1 1 380 84 84 THR H H 8.317 0.05 1 381 84 84 THR HA H 4.71 0.05 1 382 84 84 THR C C 172.093 0.1 1 383 84 84 THR CA C 61.029 0.1 1 384 84 84 THR CB C 72.126 0.1 1 385 84 84 THR N N 113.352 0.1 1 386 85 85 LEU H H 8.641 0.05 1 387 85 85 LEU HA H 5.032 0.05 1 388 85 85 LEU CA C 51.768 0.1 1 389 85 85 LEU N N 126.395 0.1 1 390 87 87 PRO C C 177.83 0.1 1 391 87 87 PRO CA C 62.456 0.1 1 392 87 87 PRO CB C 32.077 0.1 1 393 88 88 THR H H 8.383 0.05 1 394 88 88 THR HA H 3.762 0.05 1 395 88 88 THR C C 175.823 0.1 1 396 88 88 THR CA C 65.251 0.1 1 397 88 88 THR CB C 68.87 0.1 1 398 88 88 THR N N 114.27 0.1 1 399 89 89 ALA H H 8.058 0.05 1 400 89 89 ALA HA H 4.429 0.05 1 401 89 89 ALA C C 177.814 0.1 1 402 89 89 ALA CA C 52.283 0.1 1 403 89 89 ALA CB C 19.571 0.1 1 404 89 89 ALA N N 119.264 0.1 1 405 90 90 ALA H H 7.513 0.05 1 406 90 90 ALA HA H 4.222 0.05 1 407 90 90 ALA C C 176.48 0.1 1 408 90 90 ALA CA C 52.471 0.1 1 409 90 90 ALA CB C 19.345 0.1 1 410 90 90 ALA N N 120.507 0.1 1 411 91 91 LEU H H 8.556 0.05 1 412 91 91 LEU HA H 4.575 0.05 1 413 91 91 LEU C C 179.467 0.1 1 414 91 91 LEU CA C 54.615 0.1 1 415 91 91 LEU CB C 42.826 0.1 1 416 91 91 LEU N N 119.577 0.1 1 417 92 92 MET H H 9.305 0.05 1 418 92 92 MET C C 179.052 0.1 1 419 92 92 MET CA C 56.617 0.1 1 420 92 92 MET CB C 29.004 0.1 1 421 92 92 MET N N 121.613 0.1 1 422 93 93 SER H H 8.724 0.05 1 423 93 93 SER HA H 4.018 0.05 1 424 93 93 SER C C 176.249 0.1 1 425 93 93 SER CA C 61.144 0.1 1 426 93 93 SER CB C 61.733 0.1 1 427 93 93 SER N N 112.882 0.1 1 428 94 94 ALA H H 7.119 0.05 1 429 94 94 ALA HA H 4.405 0.05 1 430 94 94 ALA C C 180.96 0.1 1 431 94 94 ALA CA C 54.8 0.1 1 432 94 94 ALA CB C 18.77 0.1 1 433 94 94 ALA N N 126.398 0.1 1 434 95 95 ILE H H 7.953 0.05 1 435 95 95 ILE HA H 4.102 0.05 1 436 95 95 ILE C C 178.14 0.1 1 437 95 95 ILE CA C 62.662 0.1 1 438 95 95 ILE CB C 36.289 0.1 1 439 95 95 ILE N N 119.076 0.1 1 440 96 96 TYR H H 8.873 0.05 1 441 96 96 TYR C C 176.1 0.1 1 442 96 96 TYR CA C 62.614 0.1 1 443 96 96 TYR CB C 39.269 0.1 1 444 96 96 TYR N N 120.583 0.1 1 445 97 97 GLU H H 7.937 0.05 1 446 97 97 GLU HA H 3.877 0.05 1 447 97 97 GLU C C 177.834 0.1 1 448 97 97 GLU CA C 59.17 0.1 1 449 97 97 GLU CB C 29.534 0.1 1 450 97 97 GLU N N 115.708 0.1 1 451 98 98 GLU H H 7.263 0.05 1 452 98 98 GLU HA H 4.09 0.05 1 453 98 98 GLU C C 178.417 0.1 1 454 98 98 GLU CA C 58.305 0.1 1 455 98 98 GLU CB C 31.547 0.1 1 456 98 98 GLU N N 114.633 0.1 1 457 99 99 HIS H H 8.331 0.05 1 458 99 99 HIS HA H 4.871 0.05 1 459 99 99 HIS C C 176.036 0.1 1 460 99 99 HIS CA C 56.882 0.1 1 461 99 99 HIS CB C 33.496 0.1 1 462 99 99 HIS N N 113.326 0.1 1 463 100 100 LYS H H 8.214 0.05 1 464 100 100 LYS HA H 4.305 0.05 1 465 100 100 LYS C C 174.857 0.1 1 466 100 100 LYS CA C 57.746 0.1 1 467 100 100 LYS CB C 31.777 0.1 1 468 100 100 LYS N N 120.579 0.1 1 469 101 101 ASP H H 8.994 0.05 1 470 101 101 ASP HA H 4.715 0.05 1 471 101 101 ASP C C 177.413 0.1 1 472 101 101 ASP CA C 54.25 0.1 1 473 101 101 ASP N N 124.28 0.1 1 474 102 102 GLU H H 8.858 0.05 1 475 102 102 GLU HA H 4.192 0.05 1 476 102 102 GLU C C 177.224 0.1 1 477 102 102 GLU CA C 59.289 0.1 1 478 102 102 GLU N N 125.785 0.1 1 479 103 103 ASP H H 10.029 0.05 1 480 103 103 ASP C C 176.984 0.1 1 481 103 103 ASP CA C 54.318 0.1 1 482 103 103 ASP CB C 40.831 0.1 1 483 103 103 ASP N N 119.569 0.1 1 484 104 104 GLY H H 8.206 0.05 1 485 104 104 GLY HA2 H 4.414 0.05 1 486 104 104 GLY HA3 H 4.414 0.05 1 487 104 104 GLY C C 174.83 0.1 1 488 104 104 GLY CA C 45.449 0.1 1 489 104 104 GLY N N 106.431 0.1 1 490 105 105 PHE H H 9.677 0.05 1 491 105 105 PHE C C 174.843 0.1 1 492 105 105 PHE CA C 59.396 0.1 1 493 105 105 PHE CB C 39.996 0.1 1 494 105 105 PHE N N 122.133 0.1 1 495 106 106 LEU H H 8.301 0.05 1 496 106 106 LEU HA H 4.959 0.05 1 497 106 106 LEU C C 173.75 0.1 1 498 106 106 LEU CA C 53.456 0.1 1 499 106 106 LEU CB C 45.487 0.1 1 500 106 106 LEU N N 120.326 0.1 1 501 107 107 TYR H H 9.089 0.05 1 502 107 107 TYR HA H 5.035 0.05 1 503 107 107 TYR C C 176.299 0.1 1 504 107 107 TYR CA C 58.682 0.1 1 505 107 107 TYR CB C 38.736 0.1 1 506 107 107 TYR N N 126.839 0.1 1 507 108 108 MET H H 9.684 0.05 1 508 108 108 MET HA H 5.552 0.05 1 509 108 108 MET C C 176.058 0.1 1 510 108 108 MET CA C 54.541 0.1 1 511 108 108 MET CB C 38.816 0.1 1 512 108 108 MET N N 122.622 0.1 1 513 109 109 THR H H 8.974 0.05 1 514 109 109 THR HA H 6.29 0.05 1 515 109 109 THR C C 174.242 0.1 1 516 109 109 THR CA C 59.405 0.1 1 517 109 109 THR CB C 73.003 0.1 1 518 109 109 THR N N 113.903 0.1 1 519 110 110 TYR H H 8.325 0.05 1 520 110 110 TYR HA H 6.466 0.05 1 521 110 110 TYR C C 173.163 0.1 1 522 110 110 TYR CA C 55.203 0.1 1 523 110 110 TYR CB C 42.949 0.1 1 524 110 110 TYR N N 116.127 0.1 1 525 111 111 SER H H 9.18 0.05 1 526 111 111 SER HA H 4.775 0.05 1 527 111 111 SER C C 173.679 0.1 1 528 111 111 SER CA C 56.329 0.1 1 529 111 111 SER CB C 66.058 0.1 1 530 111 111 SER N N 112.555 0.1 1 531 112 112 GLY H H 8.567 0.05 1 532 112 112 GLY HA2 H 3.95 0.05 1 533 112 112 GLY HA3 H 3.95 0.05 1 534 112 112 GLY C C 173.212 0.1 1 535 112 112 GLY CA C 45.403 0.1 1 536 112 112 GLY N N 110.479 0.1 1 537 113 113 GLU H H 8.446 0.05 1 538 113 113 GLU HA H 4.672 0.05 1 539 113 113 GLU C C 174.601 0.1 1 540 113 113 GLU CA C 55.4 0.1 1 541 113 113 GLU CB C 32.92 0.1 1 542 113 113 GLU N N 118.558 0.1 1 543 114 114 ASN H H 8.33 0.05 1 544 114 114 ASN HA H 4.261 0.05 1 545 114 114 ASN C C 175.169 0.1 1 546 114 114 ASN CA C 52.116 0.1 1 547 114 114 ASN CB C 37.081 0.1 1 548 114 114 ASN N N 118.543 0.1 1 549 115 115 THR H H 7.574 0.05 1 550 115 115 THR HA H 4.194 0.05 1 551 115 115 THR C C 173.705 0.1 1 552 115 115 THR CA C 61.586 0.1 1 553 115 115 THR CB C 69.835 0.1 1 554 115 115 THR N N 113.627 0.1 1 555 116 116 PHE H H 7.979 0.05 1 556 116 116 PHE HA H 4.502 0.05 1 557 116 116 PHE C C 174.969 0.1 1 558 116 116 PHE CA C 57.758 0.1 1 559 116 116 PHE CB C 39.685 0.1 1 560 116 116 PHE N N 121.346 0.1 1 561 117 117 GLY H H 7.718 0.05 1 562 117 117 GLY HA2 H 3.666 0.05 1 563 117 117 GLY HA3 H 3.666 0.05 1 564 117 117 GLY CA C 46.285 0.1 1 565 117 117 GLY N N 116.324 0.1 1 stop_ save_