data_5958 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of human microtubule-associated protein light chain-3 ; _BMRB_accession_number 5958 _BMRB_flat_file_name bmr5958.str _Entry_type original _Submission_date 2003-09-26 _Accession_date 2003-09-26 _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 Kouno Takahide . . 2 Mizuguchi Mineyuki . . 3 Tanida Isei . . 4 Ueno Takashi . . 5 Kominami Eiki . . 6 Kawano Keiichi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 237 "13C chemical shifts" 235 "15N chemical shifts" 114 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-07-06 original author . stop_ _Original_release_date 2004-07-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N resonance assignments of human microtubule-associated protein light chain-3 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15213446 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kouno Takahide . . 2 Mizuguchi Mineyuki . . 3 Tanida Isei . . 4 Ueno Takashi . . 5 Kominami Eiki . . 6 Kawano Keiichi . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 415 _Page_last 416 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_MAP-LC3 _Saveframe_category molecular_system _Mol_system_name 'MAP-LC3 monomer' _Abbreviation_common MAP-LC3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MAP-LC3 monomer' $MAP-LC3 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_MAP-LC3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'microtubule-associated protein light chain-3' _Abbreviation_common MAP-LC3 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; MPSEKTFKQRRTFEQRVEDV RLIREQHPTKIPVIIERYKG EKQLPVLDKTKFLVPDHVNM SELIKIIRRRLQLNANQAFF LLVNGHSMVSVSTPISEVYE SEKDEDGFLYMVYASQETFG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PRO 3 SER 4 GLU 5 LYS 6 THR 7 PHE 8 LYS 9 GLN 10 ARG 11 ARG 12 THR 13 PHE 14 GLU 15 GLN 16 ARG 17 VAL 18 GLU 19 ASP 20 VAL 21 ARG 22 LEU 23 ILE 24 ARG 25 GLU 26 GLN 27 HIS 28 PRO 29 THR 30 LYS 31 ILE 32 PRO 33 VAL 34 ILE 35 ILE 36 GLU 37 ARG 38 TYR 39 LYS 40 GLY 41 GLU 42 LYS 43 GLN 44 LEU 45 PRO 46 VAL 47 LEU 48 ASP 49 LYS 50 THR 51 LYS 52 PHE 53 LEU 54 VAL 55 PRO 56 ASP 57 HIS 58 VAL 59 ASN 60 MET 61 SER 62 GLU 63 LEU 64 ILE 65 LYS 66 ILE 67 ILE 68 ARG 69 ARG 70 ARG 71 LEU 72 GLN 73 LEU 74 ASN 75 ALA 76 ASN 77 GLN 78 ALA 79 PHE 80 PHE 81 LEU 82 LEU 83 VAL 84 ASN 85 GLY 86 HIS 87 SER 88 MET 89 VAL 90 SER 91 VAL 92 SER 93 THR 94 PRO 95 ILE 96 SER 97 GLU 98 VAL 99 TYR 100 GLU 101 SER 102 GLU 103 LYS 104 ASP 105 GLU 106 ASP 107 GLY 108 PHE 109 LEU 110 TYR 111 MET 112 VAL 113 TYR 114 ALA 115 SER 116 GLN 117 GLU 118 THR 119 PHE 120 GLY 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 15877 LC3 100.00 121 98.33 100.00 1.84e-80 BMRB 18518 entity_1 95.83 119 100.00 100.00 5.81e-77 PDB 1UGM "Crystal Structure Of Lc3" 100.00 125 98.33 100.00 5.07e-80 PDB 1V49 "Solution Structure Of Microtubule-Associated Protein Light Chain-3" 100.00 120 100.00 100.00 2.82e-81 PDB 2K6Q "Lc3 P62 Complex Structure" 100.00 121 98.33 100.00 1.84e-80 PDB 2LUE "Lc3b Optn-lir Ptot Complex Structure" 95.83 119 100.00 100.00 5.81e-77 PDB 2Z0D "The Crystal Structure Of Human Atg4b- Lc3(1-120) Complex" 100.00 125 98.33 100.00 5.07e-80 PDB 2Z0E "The Crystal Structure Of Human Atg4b- Lc3(1-124) Complex" 100.00 129 98.33 100.00 2.66e-80 PDB 2ZJD "Crystal Structure Of Lc3-P62 Complex" 100.00 130 100.00 100.00 3.45e-81 PDB 2ZZP "The Crystal Structure Of Human Atg4b(C74s)- Lc3(1-124) Complex" 100.00 129 98.33 100.00 2.66e-80 PDB 3VTU "Crystal Structure Of Human Lc3b_2-119" 99.17 123 99.16 99.16 4.50e-79 PDB 3VTV "Crystal Structure Of Optineurin Lir-fused Human Lc3b_2-119" 98.33 134 100.00 100.00 4.63e-79 PDB 3VTW "Crystal Structure Of T7-tagged Optineurin Lir-fused Human Lc3b_2-119" 98.33 149 100.00 100.00 2.76e-79 PDB 3WAO "Crystal Structure Of Atg13 Lir-fused Human Lc3b_2-119" 98.33 134 100.00 100.00 3.41e-79 PDB 3X0W "Crystal Structure Of Plekhm1 Lir-fused Human Lc3b_2-119" 98.33 134 100.00 100.00 3.37e-79 DBJ BAB15169 "unnamed protein product [Homo sapiens]" 100.00 125 100.00 100.00 1.92e-81 DBJ BAB22364 "unnamed protein product [Mus musculus]" 100.00 125 98.33 100.00 1.31e-80 DBJ BAB22569 "unnamed protein product [Mus musculus]" 100.00 125 98.33 100.00 1.31e-80 DBJ BAB22641 "unnamed protein product [Mus musculus]" 100.00 125 97.50 100.00 4.03e-80 DBJ BAB22855 "unnamed protein product [Mus musculus]" 100.00 125 98.33 100.00 1.31e-80 EMBL CAD38970 "hypothetical protein [Homo sapiens]" 100.00 125 100.00 100.00 1.92e-81 EMBL CAG31435 "hypothetical protein RCJMB04_6g16 [Gallus gallus]" 100.00 125 97.50 100.00 7.19e-80 EMBL CAL38438 "hypothetical protein [synthetic construct]" 100.00 125 100.00 100.00 1.92e-81 GB AAA20645 "light chain 3 subunit of microtubule-associated proteins 1A and 1B [Rattus norvegicus]" 100.00 142 98.33 100.00 8.33e-81 GB AAB72082 "polyprotein [Bovine viral diarrhea virus 1]" 96.67 932 98.28 98.28 3.72e-70 GB AAG09686 "microtubule-associated proteins 1A/1B light chain 3 [Homo sapiens]" 100.00 125 100.00 100.00 1.92e-81 GB AAG23182 "microtubule-associated proteins 1A/1B light chain 3 [Homo sapiens]" 100.00 125 100.00 100.00 1.92e-81 GB AAH18634 "Microtubule-associated protein 1 light chain 3 beta [Homo sapiens]" 100.00 125 100.00 100.00 1.92e-81 REF NP_001001169 "microtubule-associated proteins 1A/1B light chain 3B [Bos taurus]" 100.00 125 99.17 99.17 7.84e-81 REF NP_001026632 "microtubule-associated proteins 1A/1B light chain 3B [Gallus gallus]" 100.00 125 97.50 100.00 7.19e-80 REF NP_001078950 "microtubule-associated proteins 1A/1B light chain 3 beta 2 precursor [Homo sapiens]" 100.00 125 99.17 99.17 2.39e-80 REF NP_001177219 "microtubule-associated proteins 1A/1B light chain 3B [Sus scrofa]" 100.00 125 99.17 99.17 7.84e-81 REF NP_001180554 "microtubule-associated protein 1 light chain 3 beta [Macaca mulatta]" 100.00 125 100.00 100.00 1.92e-81 SP A6NCE7 "RecName: Full=Microtubule-associated proteins 1A/1B light chain 3 beta 2; AltName: Full=Microtubule-associated proteins 1A/1B l" 100.00 125 99.17 99.17 2.39e-80 SP O41515 "RecName: Full=Microtubule-associated proteins 1A/1B light chain 3B; AltName: Full=Autophagy-related protein LC3 B; AltName: Ful" 100.00 125 99.17 99.17 7.84e-81 SP Q62625 "RecName: Full=Microtubule-associated proteins 1A/1B light chain 3B; AltName: Full=Autophagy-related protein LC3 B; AltName: Ful" 100.00 142 98.33 100.00 8.33e-81 SP Q9CQV6 "RecName: Full=Microtubule-associated proteins 1A/1B light chain 3B; AltName: Full=Autophagy-related protein LC3 B; AltName: Ful" 100.00 125 98.33 100.00 1.31e-80 SP Q9GZQ8 "RecName: Full=Microtubule-associated proteins 1A/1B light chain 3B; AltName: Full=Autophagy-related protein LC3 B; AltName: Ful" 100.00 125 100.00 100.00 1.92e-81 TPG DAA20021 "TPA: microtubule-associated proteins 1A/1B light chain 3B [Bos taurus]" 100.00 125 99.17 99.17 7.84e-81 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MAP-LC3 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $MAP-LC3 '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 $MAP-LC3 . mM 0.8 1.0 '[U-13C; U-15N]' 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 $MAP-LC3 . mM 0.8 1.0 . 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_1H,15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H,15N-HSQC _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_CBCANH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_H(COO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name H(COO)NH _Sample_label . save_ save_HBHA(CBCA)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCA)NH _Sample_label . save_ save_HBHA(CBCACO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H,15N-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name H(COO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCA)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _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 7.0 0.1 n/a temperature 298 0.5 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 'MAP-LC3 monomer' _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 8.45 0.05 1 2 . 1 MET HA H 4.84 0.05 1 3 . 1 MET C C 174.32 0.58 1 4 . 1 MET CA C 53.66 0.58 1 5 . 1 MET N N 123.51 0.50 1 6 . 2 PRO HA H 4.45 0.05 1 7 . 2 PRO C C 176.94 0.58 1 8 . 2 PRO CA C 63.45 0.58 1 9 . 3 SER H H 8.39 0.05 1 10 . 3 SER HA H 4.44 0.05 1 11 . 3 SER C C 174.67 0.58 1 12 . 3 SER CA C 58.34 0.58 1 13 . 3 SER N N 115.62 0.50 1 14 . 4 GLU H H 8.49 0.05 1 15 . 4 GLU HA H 4.33 0.05 1 16 . 4 GLU C C 176.43 0.58 1 17 . 4 GLU CA C 56.66 0.58 1 18 . 4 GLU N N 123.42 0.50 1 19 . 5 LYS H H 8.27 0.05 1 20 . 5 LYS HA H 4.52 0.05 1 21 . 5 LYS C C 177.23 0.58 1 22 . 5 LYS CA C 56.12 0.58 1 23 . 5 LYS N N 122.01 0.50 1 24 . 6 THR H H 8.46 0.05 1 25 . 6 THR HA H 4.46 0.05 1 26 . 6 THR C C 175.53 0.58 1 27 . 6 THR CA C 61.23 0.58 1 28 . 6 THR N N 115.00 0.50 1 29 . 7 PHE H H 10.33 0.05 1 30 . 7 PHE HA H 4.00 0.05 1 31 . 7 PHE C C 177.61 0.58 1 32 . 7 PHE CA C 63.62 0.58 1 33 . 7 PHE N N 125.49 0.50 1 34 . 8 LYS H H 8.78 0.05 1 35 . 8 LYS HA H 3.90 0.05 1 36 . 8 LYS C C 177.44 0.58 1 37 . 8 LYS CA C 59.83 0.58 1 38 . 8 LYS N N 114.61 0.50 1 39 . 9 GLN H H 7.40 0.05 1 40 . 9 GLN HA H 4.19 0.05 1 41 . 9 GLN C C 177.55 0.58 1 42 . 9 GLN CA C 56.98 0.58 1 43 . 9 GLN N N 113.64 0.50 1 44 . 10 ARG H H 7.91 0.05 1 45 . 10 ARG HA H 4.24 0.05 1 46 . 10 ARG C C 175.50 0.58 1 47 . 10 ARG CA C 57.45 0.58 1 48 . 10 ARG N N 118.49 0.50 1 49 . 11 ARG H H 7.39 0.05 1 50 . 11 ARG HA H 4.69 0.05 1 51 . 11 ARG C C 175.87 0.58 1 52 . 11 ARG CA C 53.73 0.58 1 53 . 11 ARG N N 120.38 0.50 1 54 . 12 THR H H 8.83 0.05 1 55 . 12 THR HA H 4.40 0.05 1 56 . 12 THR C C 174.97 0.58 1 57 . 12 THR CA C 61.63 0.58 1 58 . 12 THR N N 116.01 0.50 1 59 . 13 PHE H H 9.25 0.05 1 60 . 13 PHE HA H 4.06 0.05 1 61 . 13 PHE C C 176.48 0.58 1 62 . 13 PHE CA C 62.92 0.58 1 63 . 13 PHE N N 123.38 0.50 1 64 . 14 GLU H H 8.97 0.05 1 65 . 14 GLU HA H 3.81 0.05 1 66 . 14 GLU C C 179.33 0.58 1 67 . 14 GLU CA C 60.63 0.58 1 68 . 14 GLU N N 115.59 0.50 1 69 . 15 GLN H H 7.70 0.05 1 70 . 15 GLN HA H 4.00 0.05 1 71 . 15 GLN C C 178.36 0.58 1 72 . 15 GLN CA C 58.78 0.58 1 73 . 15 GLN N N 119.26 0.50 1 74 . 16 ARG H H 8.63 0.05 1 75 . 16 ARG HA H 4.28 0.05 1 76 . 16 ARG C C 177.36 0.58 1 77 . 16 ARG CA C 61.39 0.58 1 78 . 16 ARG N N 121.67 0.50 1 79 . 17 VAL H H 8.36 0.05 1 80 . 17 VAL HA H 3.81 0.05 1 81 . 17 VAL C C 179.73 0.58 1 82 . 17 VAL CA C 65.97 0.58 1 83 . 17 VAL N N 118.33 0.50 1 84 . 18 GLU H H 7.45 0.05 1 85 . 18 GLU HA H 4.30 0.05 1 86 . 18 GLU C C 177.83 0.58 1 87 . 18 GLU CA C 58.49 0.58 1 88 . 18 GLU N N 120.97 0.50 1 89 . 19 ASP H H 8.57 0.05 1 90 . 19 ASP HA H 4.41 0.05 1 91 . 19 ASP C C 179.56 0.58 1 92 . 19 ASP CA C 57.49 0.58 1 93 . 19 ASP N N 121.46 0.50 1 94 . 20 VAL H H 8.03 0.05 1 95 . 20 VAL HA H 3.12 0.05 1 96 . 20 VAL C C 177.29 0.58 1 97 . 20 VAL CA C 67.06 0.58 1 98 . 20 VAL N N 120.01 0.50 1 99 . 21 ARG H H 8.08 0.05 1 100 . 21 ARG HA H 3.85 0.05 1 101 . 21 ARG C C 179.64 0.58 1 102 . 21 ARG CA C 60.05 0.58 1 103 . 21 ARG N N 121.89 0.50 1 104 . 22 LEU H H 8.10 0.05 1 105 . 22 LEU HA H 4.08 0.05 1 106 . 22 LEU C C 179.94 0.58 1 107 . 22 LEU CA C 58.20 0.58 1 108 . 22 LEU N N 119.28 0.50 1 109 . 23 ILE H H 8.19 0.05 1 110 . 23 ILE HA H 3.75 0.05 1 111 . 23 ILE C C 177.78 0.58 1 112 . 23 ILE CA C 65.87 0.58 1 113 . 23 ILE N N 121.57 0.50 1 114 . 24 ARG H H 8.67 0.05 1 115 . 24 ARG HA H 4.02 0.05 1 116 . 24 ARG C C 178.42 0.58 1 117 . 24 ARG CA C 58.20 0.58 1 118 . 24 ARG N N 118.63 0.50 1 119 . 25 GLU H H 7.61 0.05 1 120 . 25 GLU HA H 4.06 0.05 1 121 . 25 GLU C C 178.25 0.58 1 122 . 25 GLU CA C 58.71 0.58 1 123 . 25 GLU N N 116.89 0.50 1 124 . 26 GLN H H 7.90 0.05 1 125 . 26 GLN HA H 3.99 0.05 1 126 . 26 GLN C C 176.13 0.58 1 127 . 26 GLN CA C 57.70 0.58 1 128 . 26 GLN N N 116.29 0.50 1 129 . 27 HIS H H 8.69 0.05 1 130 . 27 HIS HA H 5.01 0.05 1 131 . 27 HIS C C 173.24 0.58 1 132 . 27 HIS CA C 53.03 0.58 1 133 . 27 HIS N N 117.05 0.50 1 134 . 29 THR H H 7.89 0.05 1 135 . 29 THR HA H 4.62 0.05 1 136 . 29 THR C C 172.70 0.58 1 137 . 29 THR CA C 61.08 0.58 1 138 . 29 THR N N 107.47 0.50 1 139 . 30 LYS H H 7.47 0.05 1 140 . 30 LYS HA H 4.93 0.05 1 141 . 30 LYS C C 174.66 0.58 1 142 . 30 LYS CA C 53.23 0.58 1 143 . 30 LYS N N 117.52 0.50 1 144 . 31 ILE H H 9.44 0.05 1 145 . 31 ILE HA H 4.16 0.05 1 146 . 31 ILE C C 174.56 0.58 1 147 . 31 ILE CA C 55.26 0.58 1 148 . 31 ILE N N 123.24 0.50 1 149 . 32 PRO HA H 4.93 0.05 1 150 . 32 PRO C C 173.88 0.58 1 151 . 32 PRO CA C 61.70 0.58 1 152 . 33 VAL H H 8.96 0.05 1 153 . 33 VAL HA H 5.13 0.05 1 154 . 33 VAL C C 173.84 0.58 1 155 . 33 VAL CA C 60.38 0.58 1 156 . 33 VAL N N 126.69 0.50 1 157 . 34 ILE H H 8.86 0.05 1 158 . 34 ILE HA H 4.73 0.05 1 159 . 34 ILE C C 175.15 0.58 1 160 . 34 ILE CA C 56.43 0.58 1 161 . 34 ILE N N 128.83 0.50 1 162 . 35 ILE H H 8.89 0.05 1 163 . 35 ILE HA H 4.87 0.05 1 164 . 35 ILE C C 175.07 0.58 1 165 . 35 ILE CA C 60.37 0.58 1 166 . 35 ILE N N 125.83 0.50 1 167 . 36 GLU H H 8.29 0.05 1 168 . 36 GLU HA H 4.86 0.05 1 169 . 36 GLU C C 173.66 0.58 1 170 . 36 GLU CA C 54.08 0.58 1 171 . 36 GLU N N 123.42 0.50 1 172 . 37 ARG H H 8.92 0.05 1 173 . 37 ARG HA H 2.74 0.05 1 174 . 37 ARG C C 176.29 0.58 1 175 . 37 ARG CA C 56.57 0.58 1 176 . 37 ARG N N 123.58 0.50 1 177 . 38 TYR H H 8.65 0.05 1 178 . 38 TYR HA H 4.41 0.05 1 179 . 38 TYR C C 177.21 0.58 1 180 . 38 TYR CA C 57.71 0.58 1 181 . 38 TYR N N 129.14 0.50 1 182 . 39 LYS H H 8.56 0.05 1 183 . 39 LYS HA H 3.87 0.05 1 184 . 39 LYS C C 176.34 0.58 1 185 . 39 LYS CA C 58.84 0.58 1 186 . 39 LYS N N 130.53 0.50 1 187 . 40 GLY H H 5.39 0.05 1 188 . 40 GLY HA2 H 3.31 0.05 2 189 . 40 GLY HA3 H 4.03 0.05 2 190 . 40 GLY C C 173.46 0.58 1 191 . 40 GLY CA C 44.69 0.58 1 192 . 40 GLY N N 104.55 0.50 1 193 . 41 GLU H H 7.47 0.05 1 194 . 41 GLU HA H 4.31 0.05 1 195 . 41 GLU C C 176.34 0.58 1 196 . 41 GLU CA C 56.40 0.58 1 197 . 41 GLU N N 123.12 0.50 1 198 . 42 LYS H H 8.27 0.05 1 199 . 42 LYS HA H 4.69 0.05 1 200 . 42 LYS CA C 55.78 0.58 1 201 . 42 LYS N N 123.35 0.50 1 202 . 43 GLN H H 8.39 0.05 1 203 . 43 GLN HA H 4.54 0.05 1 204 . 43 GLN C C 177.21 0.58 1 205 . 43 GLN CA C 57.65 0.58 1 206 . 43 GLN N N 119.43 0.50 1 207 . 44 LEU H H 9.19 0.05 1 208 . 44 LEU HA H 4.74 0.05 1 209 . 44 LEU C C 174.34 0.58 1 210 . 44 LEU CA C 53.13 0.58 1 211 . 44 LEU N N 121.08 0.50 1 212 . 45 PRO HA H 4.73 0.05 1 213 . 45 PRO C C 175.85 0.58 1 214 . 45 PRO CA C 62.11 0.58 1 215 . 46 VAL H H 8.43 0.05 1 216 . 46 VAL HA H 3.91 0.05 1 217 . 46 VAL C C 175.37 0.58 1 218 . 46 VAL CA C 62.90 0.58 1 219 . 46 VAL N N 118.58 0.50 1 220 . 47 LEU H H 7.88 0.05 1 221 . 47 LEU HA H 4.44 0.05 1 222 . 47 LEU C C 176.40 0.58 1 223 . 47 LEU CA C 54.69 0.58 1 224 . 47 LEU N N 128.96 0.50 1 225 . 48 ASP H H 8.67 0.05 1 226 . 48 ASP HA H 4.38 0.05 1 227 . 48 ASP C C 174.78 0.58 1 228 . 48 ASP CA C 55.04 0.58 1 229 . 48 ASP N N 121.92 0.50 1 230 . 49 LYS H H 7.28 0.05 1 231 . 49 LYS HA H 4.48 0.05 1 232 . 49 LYS C C 174.07 0.58 1 233 . 49 LYS CA C 55.53 0.58 1 234 . 49 LYS N N 119.53 0.50 1 235 . 50 THR H H 8.19 0.05 1 236 . 50 THR HA H 4.81 0.05 1 237 . 50 THR C C 172.14 0.58 1 238 . 50 THR CA C 63.17 0.58 1 239 . 50 THR N N 115.25 0.50 1 240 . 51 LYS H H 7.42 0.05 1 241 . 51 LYS HA H 4.82 0.05 1 242 . 51 LYS C C 175.01 0.58 1 243 . 51 LYS CA C 55.31 0.58 1 244 . 51 LYS N N 121.95 0.50 1 245 . 52 PHE H H 9.77 0.05 1 246 . 52 PHE HA H 4.45 0.05 1 247 . 52 PHE C C 173.37 0.58 1 248 . 52 PHE CA C 56.77 0.58 1 249 . 52 PHE N N 126.79 0.50 1 250 . 53 LEU H H 8.54 0.05 1 251 . 53 LEU HA H 4.80 0.05 1 252 . 53 LEU C C 176.22 0.58 1 253 . 53 LEU CA C 52.99 0.58 1 254 . 53 LEU N N 123.28 0.50 1 255 . 54 VAL H H 8.84 0.05 1 256 . 54 VAL HA H 4.44 0.05 1 257 . 54 VAL C C 173.43 0.58 1 258 . 54 VAL CA C 59.76 0.58 1 259 . 54 VAL N N 127.18 0.50 1 260 . 55 PRO HA H 4.47 0.05 1 261 . 55 PRO C C 176.93 0.58 1 262 . 55 PRO CA C 64.35 0.58 1 263 . 56 ASP H H 8.39 0.05 1 264 . 56 ASP HA H 3.88 0.05 1 265 . 56 ASP C C 176.43 0.58 1 266 . 56 ASP CA C 56.38 0.58 1 267 . 56 ASP N N 119.83 0.50 1 268 . 57 HIS H H 7.46 0.05 1 269 . 57 HIS HA H 4.87 0.05 1 270 . 57 HIS C C 176.63 0.58 1 271 . 57 HIS CA C 55.92 0.58 1 272 . 57 HIS N N 114.55 0.50 1 273 . 58 VAL H H 7.05 0.05 1 274 . 58 VAL HA H 4.16 0.05 1 275 . 58 VAL C C 175.23 0.58 1 276 . 58 VAL CA C 61.78 0.58 1 277 . 58 VAL N N 118.97 0.50 1 278 . 59 ASN H H 8.44 0.05 1 279 . 59 ASN HA H 5.23 0.05 1 280 . 59 ASN C C 176.50 0.58 1 281 . 59 ASN CA C 51.25 0.58 1 282 . 59 ASN N N 120.39 0.50 1 283 . 60 MET H H 8.15 0.05 1 284 . 60 MET HA H 4.37 0.05 1 285 . 60 MET C C 178.07 0.58 1 286 . 60 MET CA C 57.20 0.58 1 287 . 60 MET N N 117.96 0.50 1 288 . 61 SER H H 8.57 0.05 1 289 . 61 SER HA H 4.08 0.05 1 290 . 61 SER C C 176.86 0.58 1 291 . 61 SER CA C 61.71 0.58 1 292 . 61 SER N N 114.19 0.50 1 293 . 62 GLU H H 7.94 0.05 1 294 . 62 GLU HA H 4.13 0.05 1 295 . 62 GLU C C 178.50 0.58 1 296 . 62 GLU CA C 58.74 0.58 1 297 . 62 GLU N N 123.04 0.50 1 298 . 63 LEU H H 7.75 0.05 1 299 . 63 LEU HA H 4.09 0.05 1 300 . 63 LEU C C 177.85 0.58 1 301 . 63 LEU CA C 57.76 0.58 1 302 . 63 LEU N N 121.03 0.50 1 303 . 64 ILE H H 8.40 0.05 1 304 . 64 ILE HA H 3.38 0.05 1 305 . 64 ILE C C 177.18 0.58 1 306 . 64 ILE CA C 66.57 0.58 1 307 . 64 ILE N N 118.95 0.50 1 308 . 65 LYS H H 7.47 0.05 1 309 . 65 LYS HA H 3.74 0.05 1 310 . 65 LYS C C 179.17 0.58 1 311 . 65 LYS CA C 60.53 0.58 1 312 . 65 LYS N N 118.46 0.50 1 313 . 66 ILE H H 7.92 0.05 1 314 . 66 ILE HA H 3.60 0.05 1 315 . 66 ILE C C 178.87 0.58 1 316 . 66 ILE CA C 65.62 0.58 1 317 . 66 ILE N N 119.91 0.50 1 318 . 67 ILE H H 8.11 0.05 1 319 . 67 ILE HA H 3.44 0.05 1 320 . 67 ILE C C 177.60 0.58 1 321 . 67 ILE CA C 63.55 0.58 1 322 . 67 ILE N N 120.61 0.50 1 323 . 68 ARG H H 8.50 0.05 1 324 . 68 ARG HA H 3.03 0.05 1 325 . 68 ARG C C 178.58 0.58 1 326 . 68 ARG CA C 60.80 0.58 1 327 . 68 ARG N N 118.98 0.50 1 328 . 69 ARG H H 7.63 0.05 1 329 . 69 ARG HA H 4.15 0.05 1 330 . 69 ARG C C 180.18 0.58 1 331 . 69 ARG CA C 58.79 0.58 1 332 . 69 ARG N N 116.52 0.50 1 333 . 70 ARG H H 8.00 0.05 1 334 . 70 ARG HA H 4.07 0.05 1 335 . 70 ARG C C 178.58 0.58 1 336 . 70 ARG CA C 59.14 0.58 1 337 . 70 ARG N N 122.48 0.50 1 338 . 71 LEU H H 7.82 0.05 1 339 . 71 LEU HA H 4.10 0.05 1 340 . 71 LEU C C 174.84 0.58 1 341 . 71 LEU CA C 55.11 0.58 1 342 . 71 LEU N N 116.61 0.50 1 343 . 72 GLN H H 7.71 0.05 1 344 . 72 GLN HA H 3.85 0.05 1 345 . 72 GLN C C 175.62 0.58 1 346 . 72 GLN CA C 56.36 0.58 1 347 . 72 GLN N N 114.88 0.50 1 348 . 73 LEU H H 7.54 0.05 1 349 . 73 LEU HA H 4.28 0.05 1 350 . 73 LEU C C 178.59 0.58 1 351 . 73 LEU CA C 54.39 0.58 1 352 . 73 LEU N N 115.33 0.50 1 353 . 74 ASN H H 8.98 0.05 1 354 . 74 ASN HA H 4.72 0.05 1 355 . 74 ASN C C 176.51 0.58 1 356 . 74 ASN CA C 52.74 0.58 1 357 . 74 ASN N N 121.70 0.50 1 358 . 75 ALA H H 8.72 0.05 1 359 . 75 ALA HA H 3.98 0.05 1 360 . 75 ALA C C 177.99 0.58 1 361 . 75 ALA CA C 54.86 0.58 1 362 . 75 ALA N N 123.85 0.50 1 363 . 76 ASN H H 8.36 0.05 1 364 . 76 ASN HA H 4.60 0.05 1 365 . 76 ASN C C 175.38 0.58 1 366 . 76 ASN CA C 53.20 0.58 1 367 . 76 ASN N N 112.42 0.50 1 368 . 77 GLN H H 7.56 0.05 1 369 . 77 GLN HA H 4.30 0.05 1 370 . 77 GLN C C 175.01 0.58 1 371 . 77 GLN CA C 55.93 0.58 1 372 . 77 GLN N N 120.58 0.50 1 373 . 78 ALA H H 8.73 0.05 1 374 . 78 ALA HA H 4.20 0.05 1 375 . 78 ALA C C 176.38 0.58 1 376 . 78 ALA CA C 52.85 0.58 1 377 . 78 ALA N N 130.53 0.50 1 378 . 79 PHE H H 7.57 0.05 1 379 . 79 PHE HA H 4.47 0.05 1 380 . 79 PHE C C 171.77 0.58 1 381 . 79 PHE CA C 58.97 0.58 1 382 . 79 PHE N N 119.19 0.50 1 383 . 80 PHE H H 8.50 0.05 1 384 . 80 PHE HA H 4.46 0.05 1 385 . 80 PHE C C 172.88 0.58 1 386 . 80 PHE CA C 56.68 0.58 1 387 . 80 PHE N N 125.94 0.50 1 388 . 81 LEU H H 8.32 0.05 1 389 . 81 LEU HA H 4.94 0.05 1 390 . 81 LEU C C 174.65 0.58 1 391 . 81 LEU CA C 53.26 0.58 1 392 . 81 LEU N N 121.40 0.50 1 393 . 82 LEU H H 9.21 0.05 1 394 . 82 LEU HA H 4.73 0.05 1 395 . 82 LEU C C 177.56 0.58 1 396 . 82 LEU CA C 53.95 0.58 1 397 . 82 LEU N N 124.55 0.50 1 398 . 83 VAL H H 8.92 0.05 1 399 . 83 VAL HA H 4.32 0.05 1 400 . 83 VAL C C 176.26 0.58 1 401 . 83 VAL CA C 62.49 0.58 1 402 . 83 VAL N N 125.93 0.50 1 403 . 84 ASN H H 9.70 0.05 1 404 . 84 ASN HA H 4.42 0.05 1 405 . 84 ASN C C 174.79 0.58 1 406 . 84 ASN CA C 54.88 0.58 1 407 . 84 ASN N N 125.83 0.50 1 408 . 85 GLY H H 8.34 0.05 1 409 . 85 GLY HA2 H 3.41 0.05 2 410 . 85 GLY HA3 H 4.13 0.05 2 411 . 85 GLY C C 173.50 0.58 1 412 . 85 GLY CA C 45.88 0.58 1 413 . 85 GLY N N 101.56 0.50 1 414 . 86 HIS H H 7.81 0.05 1 415 . 86 HIS HA H 4.99 0.05 1 416 . 86 HIS C C 174.00 0.58 1 417 . 86 HIS CA C 55.10 0.58 1 418 . 86 HIS N N 116.58 0.50 1 419 . 87 SER H H 8.60 0.05 1 420 . 87 SER HA H 4.72 0.05 1 421 . 87 SER C C 174.89 0.58 1 422 . 87 SER CA C 58.27 0.58 1 423 . 87 SER N N 117.44 0.50 1 424 . 88 MET H H 9.16 0.05 1 425 . 88 MET HA H 4.82 0.05 1 426 . 88 MET C C 176.33 0.58 1 427 . 88 MET CA C 55.09 0.58 1 428 . 88 MET N N 125.82 0.50 1 429 . 89 VAL H H 8.43 0.05 1 430 . 89 VAL HA H 4.21 0.05 1 431 . 89 VAL C C 176.07 0.58 1 432 . 89 VAL CA C 62.33 0.58 1 433 . 89 VAL N N 121.44 0.50 1 434 . 90 SER H H 8.47 0.05 1 435 . 90 SER HA H 4.63 0.05 1 436 . 90 SER C C 176.91 0.58 1 437 . 90 SER CA C 57.75 0.58 1 438 . 90 SER N N 118.07 0.50 1 439 . 91 VAL H H 8.41 0.05 1 440 . 91 VAL HA H 4.14 0.05 1 441 . 91 VAL CA C 63.97 0.58 1 442 . 91 VAL N N 119.97 0.50 1 443 . 92 SER H H 8.12 0.05 1 444 . 92 SER HA H 4.61 0.05 1 445 . 92 SER C C 174.28 0.58 1 446 . 92 SER CA C 57.94 0.58 1 447 . 92 SER N N 114.91 0.50 1 448 . 93 THR H H 7.55 0.05 1 449 . 93 THR HA H 4.42 0.05 1 450 . 93 THR C C 172.30 0.58 1 451 . 93 THR CA C 61.82 0.58 1 452 . 93 THR N N 120.38 0.50 1 453 . 94 PRO HA H 4.57 0.05 1 454 . 94 PRO C C 178.73 0.58 1 455 . 94 PRO CA C 63.42 0.58 1 456 . 95 ILE H H 9.30 0.05 1 457 . 95 ILE HA H 3.96 0.05 1 458 . 95 ILE C C 176.64 0.58 1 459 . 95 ILE CA C 63.46 0.58 1 460 . 95 ILE N N 125.69 0.50 1 461 . 96 SER H H 8.66 0.05 1 462 . 96 SER HA H 4.05 0.05 1 463 . 96 SER C C 176.63 0.58 1 464 . 96 SER CA C 61.70 0.58 1 465 . 96 SER N N 117.39 0.50 1 466 . 97 GLU H H 7.21 0.05 1 467 . 97 GLU HA H 4.29 0.05 1 468 . 97 GLU C C 179.28 0.58 1 469 . 97 GLU CA C 58.79 0.58 1 470 . 97 GLU N N 123.10 0.50 1 471 . 98 VAL H H 7.44 0.05 1 472 . 98 VAL HA H 3.80 0.05 1 473 . 98 VAL C C 177.72 0.58 1 474 . 98 VAL CA C 65.87 0.58 1 475 . 98 VAL N N 120.94 0.50 1 476 . 99 TYR H H 8.96 0.05 1 477 . 99 TYR HA H 4.02 0.05 1 478 . 99 TYR C C 176.04 0.58 1 479 . 99 TYR CA C 62.67 0.58 1 480 . 99 TYR N N 118.95 0.50 1 481 . 100 GLU H H 7.53 0.05 1 482 . 100 GLU HA H 3.87 0.05 1 483 . 100 GLU C C 178.00 0.58 1 484 . 100 GLU CA C 59.07 0.58 1 485 . 100 GLU N N 114.26 0.50 1 486 . 101 SER H H 7.46 0.05 1 487 . 101 SER HA H 4.53 0.05 1 488 . 101 SER C C 176.64 0.58 1 489 . 101 SER CA C 60.45 0.58 1 490 . 101 SER N N 108.97 0.50 1 491 . 102 GLU H H 8.45 0.05 1 492 . 102 GLU HA H 4.78 0.05 1 493 . 102 GLU C C 176.74 0.58 1 494 . 102 GLU CA C 55.56 0.58 1 495 . 102 GLU N N 116.59 0.50 1 496 . 103 LYS H H 7.78 0.05 1 497 . 103 LYS HA H 4.15 0.05 1 498 . 103 LYS C C 174.85 0.58 1 499 . 103 LYS CA C 57.44 0.58 1 500 . 103 LYS N N 118.57 0.50 1 501 . 104 ASP H H 9.04 0.05 1 502 . 104 ASP HA H 4.76 0.05 1 503 . 104 ASP C C 177.43 0.58 1 504 . 104 ASP CA C 53.86 0.58 1 505 . 104 ASP N N 123.75 0.50 1 506 . 105 GLU H H 8.88 0.05 1 507 . 105 GLU HA H 4.19 0.05 1 508 . 105 GLU C C 177.45 0.58 1 509 . 105 GLU CA C 59.63 0.58 1 510 . 105 GLU N N 125.39 0.50 1 511 . 106 ASP H H 9.95 0.05 1 512 . 106 ASP HA H 4.18 0.05 1 513 . 106 ASP C C 176.18 0.58 1 514 . 106 ASP CA C 54.86 0.58 1 515 . 106 ASP N N 118.82 0.50 1 516 . 107 GLY H H 7.97 0.05 1 517 . 107 GLY HA2 H 3.44 0.05 2 518 . 107 GLY HA3 H 4.51 0.05 2 519 . 107 GLY C C 175.19 0.58 1 520 . 107 GLY CA C 45.14 0.58 1 521 . 107 GLY N N 106.08 0.50 1 522 . 108 PHE H H 9.82 0.05 1 523 . 108 PHE HA H 4.69 0.05 1 524 . 108 PHE C C 174.67 0.58 1 525 . 108 PHE CA C 60.24 0.58 1 526 . 108 PHE N N 124.03 0.50 1 527 . 109 LEU H H 8.06 0.05 1 528 . 109 LEU HA H 5.03 0.05 1 529 . 109 LEU C C 173.82 0.58 1 530 . 109 LEU CA C 53.18 0.58 1 531 . 109 LEU N N 120.49 0.50 1 532 . 110 TYR H H 9.47 0.05 1 533 . 110 TYR HA H 5.03 0.05 1 534 . 110 TYR C C 176.71 0.58 1 535 . 110 TYR CA C 59.15 0.58 1 536 . 110 TYR N N 126.99 0.50 1 537 . 111 MET H H 9.56 0.05 1 538 . 111 MET HA H 5.47 0.05 1 539 . 111 MET C C 175.54 0.58 1 540 . 111 MET CA C 54.28 0.58 1 541 . 111 MET N N 118.78 0.50 1 542 . 112 VAL H H 8.70 0.05 1 543 . 112 VAL HA H 6.03 0.05 1 544 . 112 VAL C C 174.98 0.58 1 545 . 112 VAL CA C 58.83 0.58 1 546 . 112 VAL N N 118.56 0.50 1 547 . 113 TYR H H 8.27 0.05 1 548 . 113 TYR HA H 6.16 0.05 1 549 . 113 TYR C C 173.38 0.58 1 550 . 113 TYR CA C 54.20 0.58 1 551 . 113 TYR N N 119.00 0.50 1 552 . 114 ALA H H 8.51 0.05 1 553 . 114 ALA HA H 4.79 0.05 1 554 . 114 ALA C C 176.04 0.58 1 555 . 114 ALA CA C 51.22 0.58 1 556 . 114 ALA N N 119.82 0.50 1 557 . 115 SER H H 9.83 0.05 1 558 . 115 SER HA H 4.53 0.05 1 559 . 115 SER C C 172.84 0.58 1 560 . 115 SER CA C 58.69 0.58 1 561 . 115 SER N N 114.61 0.50 1 562 . 116 GLN H H 7.21 0.05 1 563 . 116 GLN HA H 4.48 0.05 1 564 . 116 GLN C C 173.10 0.58 1 565 . 116 GLN CA C 54.18 0.58 1 566 . 116 GLN N N 116.99 0.50 1 567 . 117 GLU H H 7.99 0.05 1 568 . 117 GLU HA H 3.28 0.05 1 569 . 117 GLU C C 175.33 0.58 1 570 . 117 GLU CA C 56.97 0.58 1 571 . 117 GLU N N 118.28 0.50 1 572 . 118 THR H H 7.00 0.05 1 573 . 118 THR HA H 4.08 0.05 1 574 . 118 THR C C 173.26 0.58 1 575 . 118 THR CA C 60.55 0.58 1 576 . 118 THR N N 110.16 0.50 1 577 . 119 PHE H H 8.16 0.05 1 578 . 119 PHE HA H 4.42 0.05 1 579 . 119 PHE C C 174.94 0.58 1 580 . 119 PHE CA C 56.98 0.58 1 581 . 119 PHE N N 122.19 0.50 1 582 . 120 GLY H H 7.88 0.05 1 583 . 120 GLY HA2 H 3.81 0.05 1 584 . 120 GLY HA3 H 3.81 0.05 1 585 . 120 GLY CA C 46.21 0.58 1 586 . 120 GLY N N 115.66 0.50 1 stop_ save_