data_18221 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone structure of human membrane protein FAM14B (Interferon alpha-inducible protein 27-like protein 1) ; _BMRB_accession_number 18221 _BMRB_flat_file_name bmr18221.str _Entry_type original _Submission_date 2012-01-26 _Accession_date 2012-01-26 _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 Klammt Christian . . 2 Chui Ellis JC . 3 Maslennikov Innokentiy . . 4 Kwiatkowski Witek . . 5 Choe Senyon . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 330 "13C chemical shifts" 350 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-07-15 update BMRB 'update entry citation' 2012-05-22 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18217 HIGD1A 18218 HIGD1B 18219 TMEM14A(NOE) 18220 TMEM14A(PRE) 18222 TMEM141 18223 TMEM14C stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Facile backbone structure determination of human membrane proteins by NMR spectroscopy.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22609626 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Klammt Christian . . 2 Maslennikov Innokentiy . . 3 Bayrhuber Monika . . 4 Eichmann Cedric . . 5 Vajpai Navratna . . 6 Chiu 'Ellis Jeremy Chua' . . 7 Blain Katherine Y. . 8 Esquivies Luis . . 9 Kwon 'June Hyun Jung' . . 10 Balana Bartosz . . 11 Pieper Ursula . . 12 Sali Andrej . . 13 Slesinger Paul A. . 14 Kwiatkowski Witek . . 15 Riek Roland . . 16 Choe Senyon . . stop_ _Journal_abbreviation 'Nat. Methods' _Journal_name_full 'Nature methods' _Journal_volume 9 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 834 _Page_last 839 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name FAM14B _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FAM14B $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 9553.060 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; MTSLYKKVGMGKESGWDSGR AAVAAVVGGVVAVGTVLVAL SAMGFTSVGIAASSIAAKMM STAAIANGGGVAAGSLVAIL QSVGAAGLSVTSKVIGGFAG TALGAWLGSPPSS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . MET 2 . THR 3 . SER 4 -5 LEU 5 -4 TYR 6 -3 LYS 7 -2 LYS 8 -1 VAL 9 0 GLY 10 1 MET 11 2 GLY 12 3 LYS 13 4 GLU 14 5 SER 15 6 GLY 16 7 TRP 17 8 ASP 18 9 SER 19 10 GLY 20 11 ARG 21 12 ALA 22 13 ALA 23 14 VAL 24 15 ALA 25 16 ALA 26 17 VAL 27 18 VAL 28 19 GLY 29 20 GLY 30 21 VAL 31 22 VAL 32 23 ALA 33 24 VAL 34 25 GLY 35 26 THR 36 27 VAL 37 28 LEU 38 29 VAL 39 30 ALA 40 31 LEU 41 32 SER 42 33 ALA 43 34 MET 44 35 GLY 45 36 PHE 46 37 THR 47 38 SER 48 39 VAL 49 40 GLY 50 41 ILE 51 42 ALA 52 43 ALA 53 44 SER 54 45 SER 55 46 ILE 56 47 ALA 57 48 ALA 58 49 LYS 59 50 MET 60 51 MET 61 52 SER 62 53 THR 63 54 ALA 64 55 ALA 65 56 ILE 66 57 ALA 67 58 ASN 68 59 GLY 69 60 GLY 70 61 GLY 71 62 VAL 72 63 ALA 73 64 ALA 74 65 GLY 75 66 SER 76 67 LEU 77 68 VAL 78 69 ALA 79 70 ILE 80 71 LEU 81 72 GLN 82 73 SER 83 74 VAL 84 75 GLY 85 76 ALA 86 77 ALA 87 78 GLY 88 79 LEU 89 80 SER 90 81 VAL 91 82 THR 92 83 SER 93 84 LYS 94 85 VAL 95 86 ILE 96 87 GLY 97 88 GLY 98 89 PHE 99 90 ALA 100 91 GLY 101 92 THR 102 93 ALA 103 94 LEU 104 95 GLY 105 96 ALA 106 97 TRP 107 98 LEU 108 99 GLY 109 100 SER 110 101 PRO 111 102 PRO 112 103 SER 113 104 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 2LOQ "Backbone Structure Of Human Membrane Protein Fam14b (Interferon Alpha- Inducible Protein 27-Like Protein 1)" 100.00 113 100.00 100.00 2.16e-64 GB AAH15423 "Interferon, alpha-inducible protein 27-like 1 [Homo sapiens]" 92.04 104 100.00 100.00 5.30e-57 GB ACT64524 "family with sequence similarity 14, member B protein [synthetic construct]" 92.04 104 100.00 100.00 5.30e-57 GB ACT64525 "family with sequence similarity 14, member B protein [synthetic construct]" 92.04 104 100.00 100.00 5.30e-57 GB ADZ15768 "interferon, alpha-inducible protein 27-like 1 [synthetic construct]" 92.04 104 100.00 100.00 5.30e-57 GB AIC52948 "IFI27L1, partial [synthetic construct]" 92.04 104 100.00 100.00 5.30e-57 REF NP_660292 "interferon alpha-inducible protein 27-like protein 1 [Homo sapiens]" 92.04 104 100.00 100.00 5.30e-57 REF NP_996832 "interferon alpha-inducible protein 27-like protein 1 [Homo sapiens]" 92.04 104 100.00 100.00 5.30e-57 REF XP_009426632 "PREDICTED: LOW QUALITY PROTEIN: interferon alpha-inducible protein 27-like protein 1 [Pan troglodytes]" 92.04 104 97.12 97.12 4.27e-41 REF XP_011534707 "PREDICTED: interferon alpha-inducible protein 27-like protein 1 isoform X2 [Homo sapiens]" 92.04 104 100.00 100.00 5.30e-57 REF XP_011534708 "PREDICTED: interferon alpha-inducible protein 27-like protein 1 isoform X3 [Homo sapiens]" 85.84 103 97.94 97.94 2.37e-49 SP Q96BM0 "RecName: Full=Interferon alpha-inducible protein 27-like protein 1; AltName: Full=Interferon-stimulated gene 12c protein; Short" 92.04 104 100.00 100.00 5.30e-57 TPE CAE00392 "TPA: putative ISG12(c) protein [Homo sapiens]" 92.04 104 100.00 100.00 5.30e-57 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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 $entity 'cell free synthesis' . E. "coli - cell free" . p23-GWN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelle _Details 'U-15N-labeled protein' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 20 mM 'natural abundance' LMPG 3 % 'natural abundance' DSS 0.5 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ save_sample_NC _Saveframe_category sample _Sample_type micelle _Details 'U-15N-13C-labeled protein' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 20 mM 'natural abundance' LMPG 3 % 'natural abundance' DSS 0.5 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ save_sample_NCD _Saveframe_category sample _Sample_type micelle _Details 'U-15N-13C-2H-labeled protein' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 20 mM 'natural abundance' LMPG 3 % 'natural abundance' DSS 0.5 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ save_sample_ND _Saveframe_category sample _Sample_type micelle _Details 'U-15N-2H-labeled protein' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 20 mM 'natural abundance' LMPG 3 % 'natural abundance' DSS 0.5 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ save_samples_CDL _Saveframe_category sample _Sample_type micelle _Details 'Combinatorial residue-selective 15N-13C1-labeled protein' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 20 mM 'natural abundance' LMPG 3 % 'natural abundance' DSS 0.5 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ save_samples_SL _Saveframe_category sample _Sample_type micelle _Details 'Single-cysteine U-15N-labeled mutants with paramagnetic spin label MTSL' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 20 mM 'natural abundance' LMPG 3 % 'natural abundance' DSS 0.5 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ save_samples_DL _Saveframe_category sample _Sample_type micelle _Details 'Single-cysteine U-15N-labeled mutants with diamagnetic analog of MTSL' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 20 mM 'natural abundance' LMPG 3 % 'natural abundance' DSS 0.5 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_PROSA _Saveframe_category software _Name PROSA _Version . loop_ _Vendor _Address _Electronic_address Guntert . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'structure analysis' 'structure visualization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $samples_CDL save_ save_2D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNCO' _Sample_label $samples_CDL save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_NCD save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_NCD save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_NCD save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $samples_SL save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $samples_DL save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_ND save_ save_3D_13C-15N_HSQC-NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-15N HSQC-NOESY-HSQC' _Sample_label $sample_NC save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 60 . mM pH 6.0 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 water C 13 protons ppm 4.703 internal indirect . . . 0.25144953 water H 1 protons ppm 4.703 internal direct . . . 1.00000000 water N 15 protons ppm 4.703 internal 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D HNCO' '3D HNCO' '3D HNCA' '3D HNCACB' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $samples_CDL $sample_NCD $sample_1 $sample_ND stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name FAM14B _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 -5 4 LEU H H 8.599 0.010 1 2 -5 4 LEU C C 177.486 0.100 1 3 -5 4 LEU CA C 57.048 0.100 1 4 -5 4 LEU CB C 41.418 0.100 1 5 -5 4 LEU N N 125.252 0.100 1 6 -4 5 TYR H H 7.58 0.010 1 7 -4 5 TYR CA C 58.761 0.100 1 8 -4 5 TYR N N 115.731 0.100 1 9 -3 6 LYS H H 7.446 0.010 1 10 -3 6 LYS C C 177.876 0.100 1 11 -3 6 LYS CA C 56.565 0.100 1 12 -3 6 LYS CB C 31.625 0.100 1 13 -3 6 LYS N N 119.634 0.100 1 14 -2 7 LYS H H 7.881 0.010 1 15 -2 7 LYS C C 177.398 0.100 1 16 -2 7 LYS CA C 56.641 0.100 1 17 -2 7 LYS CB C 31.625 0.100 1 18 -2 7 LYS N N 119.784 0.100 1 19 -1 8 VAL H H 7.632 0.010 1 20 -1 8 VAL HA H 4.019 0.010 1 21 -1 8 VAL HB H 2.164 0.010 1 22 -1 8 VAL HG1 H 0.949 0.010 2 23 -1 8 VAL HG2 H 0.949 0.010 2 24 -1 8 VAL C C 176.077 0.100 1 25 -1 8 VAL CA C 62.656 0.100 1 26 -1 8 VAL CB C 31.404 0.100 1 27 -1 8 VAL N N 116.206 0.100 1 28 0 9 GLY H H 7.854 0.010 1 29 0 9 GLY HA2 H 3.855 0.010 2 30 0 9 GLY HA3 H 4.019 0.010 2 31 0 9 GLY C C 174.594 0.100 1 32 0 9 GLY CA C 45.655 0.100 1 33 0 9 GLY N N 108.732 0.100 1 34 1 10 MET H H 7.866 0.010 1 35 1 10 MET C C 176.857 0.100 1 36 1 10 MET CA C 55.956 0.100 1 37 1 10 MET CB C 32.361 0.100 1 38 1 10 MET N N 119.382 0.100 1 39 2 11 GLY H H 8.271 0.010 1 40 2 11 GLY HA2 H 3.861 0.010 2 41 2 11 GLY HA3 H 3.861 0.010 2 42 2 11 GLY C C 174.543 0.100 1 43 2 11 GLY CA C 45.695 0.100 1 44 2 11 GLY N N 109.366 0.100 1 45 3 12 LYS H H 8.057 0.010 1 46 3 12 LYS HA H 4.132 0.010 1 47 3 12 LYS HB2 H 1.757 0.010 2 48 3 12 LYS HB3 H 1.757 0.010 2 49 3 12 LYS C C 177.234 0.100 1 50 3 12 LYS CA C 56.812 0.100 1 51 3 12 LYS CB C 31.846 0.100 1 52 3 12 LYS CG C 23.911 0.100 1 53 3 12 LYS N N 121.129 0.100 1 54 4 13 GLU H H 8.398 0.010 1 55 4 13 GLU HA H 4.155 0.010 1 56 4 13 GLU HB2 H 1.939 0.010 2 57 4 13 GLU HB3 H 2.059 0.010 2 58 4 13 GLU HG2 H 2.273 0.010 2 59 4 13 GLU HG3 H 2.273 0.010 2 60 4 13 GLU C C 176.857 0.100 1 61 4 13 GLU CA C 56.871 0.100 1 62 4 13 GLU CB C 28.388 0.100 1 63 4 13 GLU CG C 34.766 0.100 1 64 4 13 GLU N N 120.318 0.100 1 65 5 14 SER H H 8.089 0.010 1 66 5 14 SER HA H 3.843 0.010 1 67 5 14 SER HB2 H 4.192 0.010 2 68 5 14 SER HB3 H 4.395 0.010 2 69 5 14 SER C C 175.337 0.100 1 70 5 14 SER CA C 58.524 0.100 1 71 5 14 SER CB C 63.36 0.100 1 72 5 14 SER N N 115.504 0.100 1 73 6 15 GLY H H 8.197 0.010 1 74 6 15 GLY HA2 H 3.898 0.010 2 75 6 15 GLY HA3 H 3.898 0.010 2 76 6 15 GLY C C 174.581 0.100 1 77 6 15 GLY CA C 45.566 0.100 1 78 6 15 GLY N N 110.761 0.100 1 79 7 16 TRP H H 8.184 0.010 1 80 7 16 TRP HA H 4.56 0.010 1 81 7 16 TRP HB2 H 3.19 0.010 2 82 7 16 TRP HB3 H 3.309 0.010 2 83 7 16 TRP HD1 H 7.227 0.010 1 84 7 16 TRP C C 176.92 0.100 1 85 7 16 TRP CA C 58.081 0.100 1 86 7 16 TRP CB C 28.679 0.100 1 87 7 16 TRP N N 121.8 0.100 1 88 8 17 ASP H H 8.332 0.010 1 89 8 17 ASP HA H 4.395 0.010 1 90 8 17 ASP HB2 H 2.647 0.010 2 91 8 17 ASP HB3 H 2.647 0.010 2 92 8 17 ASP C C 176.941 0.100 1 93 8 17 ASP CA C 56.244 0.100 1 94 8 17 ASP CB C 39.945 0.100 1 95 8 17 ASP N N 121.132 0.100 1 96 9 18 SER H H 8.129 0.010 1 97 9 18 SER HA H 3.861 0.010 1 98 9 18 SER HB2 H 4.247 0.010 2 99 9 18 SER HB3 H 4.404 0.010 2 100 9 18 SER CA C 60.081 0.100 1 101 9 18 SER CB C 62.255 0.100 1 102 9 18 SER N N 116.148 0.100 1 103 10 19 GLY H H 8.216 0.010 1 104 10 19 GLY HA2 H 3.627 0.010 2 105 10 19 GLY HA3 H 3.87 0.010 2 106 10 19 GLY C C 174.682 0.100 1 107 10 19 GLY CA C 46.6 0.100 1 108 10 19 GLY N N 110.747 0.100 1 109 11 20 ARG H H 8.158 0.010 1 110 11 20 ARG HA H 3.857 0.010 1 111 11 20 ARG HB2 H 1.792 0.010 2 112 11 20 ARG HB3 H 1.792 0.010 2 113 11 20 ARG C C 178.328 0.100 1 114 11 20 ARG CA C 59.085 0.100 1 115 11 20 ARG CB C 29.047 0.100 1 116 11 20 ARG N N 121.405 0.100 1 117 12 21 ALA H H 7.963 0.010 1 118 12 21 ALA HA H 4.1 0.010 1 119 12 21 ALA HB H 1.488 0.010 1 120 12 21 ALA C C 180.129 0.100 1 121 12 21 ALA CA C 54.392 0.100 1 122 12 21 ALA CB C 17.414 0.100 1 123 12 21 ALA N N 122.167 0.100 1 124 13 22 ALA H H 7.881 0.010 1 125 13 22 ALA HA H 4.037 0.010 1 126 13 22 ALA HB H 1.448 0.010 1 127 13 22 ALA C C 179.095 0.100 1 128 13 22 ALA CA C 54.716 0.100 1 129 13 22 ALA CB C 17.561 0.100 1 130 13 22 ALA N N 122.15 0.100 1 131 14 23 VAL H H 7.888 0.010 1 132 14 23 VAL HA H 3.48 0.010 1 133 14 23 VAL HB H 2.123 0.010 1 134 14 23 VAL HG1 H 0.909 0.010 2 135 14 23 VAL HG2 H 1.038 0.010 2 136 14 23 VAL C C 177.586 0.100 1 137 14 23 VAL CA C 66.198 0.100 1 138 14 23 VAL CB C 30.52 0.100 1 139 14 23 VAL CG1 C 20.996 0.100 2 140 14 23 VAL CG2 C 22.425 0.100 2 141 14 23 VAL N N 117.107 0.100 1 142 15 24 ALA H H 8.037 0.010 1 143 15 24 ALA HA H 3.981 0.010 1 144 15 24 ALA HB H 1.452 0.010 1 145 15 24 ALA C C 180.373 0.100 1 146 15 24 ALA CA C 55.011 0.100 1 147 15 24 ALA CB C 17.252 0.100 1 148 15 24 ALA N N 121.333 0.100 1 149 16 25 ALA H H 7.819 0.010 1 150 16 25 ALA HA H 4.146 0.010 1 151 16 25 ALA HB H 1.488 0.010 1 152 16 25 ALA C C 179.828 0.100 1 153 16 25 ALA CA C 54.451 0.100 1 154 16 25 ALA CB C 17.487 0.100 1 155 16 25 ALA N N 121.158 0.100 1 156 17 26 VAL H H 7.848 0.010 1 157 17 26 VAL HA H 3.778 0.010 1 158 17 26 VAL HB H 2.235 0.010 1 159 17 26 VAL HG1 H 1.041 0.010 2 160 17 26 VAL HG2 H 1.041 0.010 2 161 17 26 VAL C C 178.02 0.100 1 162 17 26 VAL CA C 65.578 0.100 1 163 17 26 VAL CB C 31.085 0.100 1 164 17 26 VAL N N 118.417 0.100 1 165 18 27 VAL H H 8.377 0.010 1 166 18 27 VAL C C 177.719 0.100 1 167 18 27 VAL CA C 65.991 0.100 1 168 18 27 VAL CB C 30.187 0.100 1 169 18 27 VAL CG1 C 21.286 0.100 2 170 18 27 VAL CG2 C 22.323 0.100 2 171 18 27 VAL N N 119.24 0.100 1 172 19 28 GLY H H 8.122 0.010 1 173 19 28 GLY HA2 H 3.886 0.010 2 174 19 28 GLY HA3 H 3.886 0.010 2 175 19 28 GLY C C 176.212 0.100 1 176 19 28 GLY CA C 46.244 0.100 1 177 19 28 GLY N N 106.009 0.100 1 178 20 29 GLY H H 8.039 0.010 1 179 20 29 GLY HA2 H 3.765 0.010 2 180 20 29 GLY HA3 H 4.007 0.010 2 181 20 29 GLY C C 174.097 0.100 1 182 20 29 GLY CA C 46.334 0.100 1 183 20 29 GLY N N 110.216 0.100 1 184 21 30 VAL H H 7.983 0.010 1 185 21 30 VAL C C 177.073 0.100 1 186 21 30 VAL CA C 62.574 0.100 1 187 21 30 VAL CB C 30.79 0.100 1 188 21 30 VAL N N 121.188 0.100 1 189 23 32 ALA H H 8.036 0.010 1 190 23 32 ALA HA H 4.26 0.010 1 191 23 32 ALA HB H 1.499 0.010 1 192 23 32 ALA C C 179.523 0.100 1 193 23 32 ALA CA C 53.683 0.100 1 194 23 32 ALA CB C 16.383 0.100 1 195 23 32 ALA N N 125.091 0.100 1 196 24 33 VAL H H 8.195 0.010 1 197 24 33 VAL HA H 3.708 0.010 1 198 24 33 VAL HB H 2.201 0.010 1 199 24 33 VAL HG1 H 0.925 0.010 2 200 24 33 VAL HG2 H 1.058 0.010 2 201 24 33 VAL C C 177.901 0.100 1 202 24 33 VAL CA C 65.43 0.100 1 203 24 33 VAL CB C 31.318 0.100 1 204 24 33 VAL CG1 C 20.912 0.100 2 205 24 33 VAL CG2 C 22.013 0.100 2 206 24 33 VAL N N 118.793 0.100 1 207 25 34 GLY H H 8.651 0.010 1 208 25 34 GLY HA2 H 3.706 0.010 2 209 25 34 GLY HA3 H 3.901 0.010 2 210 25 34 GLY C C 175.424 0.100 1 211 25 34 GLY CA C 47.334 0.100 1 212 25 34 GLY N N 108.367 0.100 1 213 26 35 THR H H 7.975 0.010 1 214 26 35 THR C C 176.843 0.100 1 215 26 35 THR CA C 65.962 0.100 1 216 26 35 THR CB C 68.414 0.100 1 217 26 35 THR N N 116.448 0.100 1 218 27 36 VAL H H 7.559 0.010 1 219 27 36 VAL HA H 3.719 0.010 1 220 27 36 VAL HB H 2.294 0.010 1 221 27 36 VAL HG1 H 0.934 0.010 2 222 27 36 VAL HG2 H 1.064 0.010 2 223 27 36 VAL C C 177.618 0.100 1 224 27 36 VAL CA C 65.726 0.100 1 225 27 36 VAL CB C 30.667 0.100 1 226 27 36 VAL CG1 C 21.202 0.100 2 227 27 36 VAL CG2 C 22.183 0.100 2 228 27 36 VAL N N 122.81 0.100 1 229 28 37 LEU H H 8.086 0.010 1 230 28 37 LEU HA H 3.953 0.010 1 231 28 37 LEU HB2 H 1.902 0.010 2 232 28 37 LEU HB3 H 1.902 0.010 2 233 28 37 LEU C C 179.666 0.100 1 234 28 37 LEU CA C 57.845 0.100 1 235 28 37 LEU CB C 40.166 0.100 1 236 28 37 LEU CG C 25.765 0.100 1 237 28 37 LEU N N 119.566 0.100 1 238 29 38 VAL H H 8.066 0.010 1 239 29 38 VAL HA H 3.653 0.010 1 240 29 38 VAL HB H 2.144 0.010 1 241 29 38 VAL HG2 H 1.044 0.010 2 242 29 38 VAL C C 178.639 0.100 1 243 29 38 VAL CA C 65.473 0.100 1 244 29 38 VAL CB C 30.609 0.100 1 245 29 38 VAL CG1 C 20.598 0.100 2 246 29 38 VAL CG2 C 22.15 0.100 2 247 29 38 VAL N N 119.468 0.100 1 248 30 39 ALA H H 7.688 0.010 1 249 30 39 ALA HA H 4.165 0.010 1 250 30 39 ALA HB H 1.507 0.010 1 251 30 39 ALA C C 180.303 0.100 1 252 30 39 ALA CA C 54.834 0.100 1 253 30 39 ALA CB C 17.708 0.100 1 254 30 39 ALA N N 124.255 0.100 1 255 31 40 LEU H H 8.326 0.010 1 256 31 40 LEU HA H 4.141 0.010 1 257 31 40 LEU HB2 H 1.902 0.010 2 258 31 40 LEU HB3 H 1.902 0.010 2 259 31 40 LEU HD1 H 0.828 0.010 2 260 31 40 LEU HD2 H 0.828 0.010 2 261 31 40 LEU C C 179.271 0.100 1 262 31 40 LEU CA C 57.078 0.100 1 263 31 40 LEU CB C 40.902 0.100 1 264 31 40 LEU CG C 25.656 0.100 1 265 31 40 LEU CD1 C 22.980 0.100 2 266 31 40 LEU CD2 C 21.881 0.100 2 267 31 40 LEU N N 118.268 0.100 1 268 32 41 SER H H 8.062 0.010 1 269 32 41 SER HA H 3.952 0.010 1 270 32 41 SER HB2 H 4.128 0.010 2 271 32 41 SER HB3 H 4.128 0.010 2 272 32 41 SER C C 176.284 0.100 1 273 32 41 SER CA C 60.885 0.100 1 274 32 41 SER CB C 62.41 0.100 1 275 32 41 SER N N 114.984 0.100 1 276 33 42 ALA H H 7.813 0.010 1 277 33 42 ALA HA H 4.225 0.010 1 278 33 42 ALA HB H 1.489 0.010 1 279 33 42 ALA C C 179.033 0.100 1 280 33 42 ALA CA C 53.713 0.100 1 281 33 42 ALA CB C 17.929 0.100 1 282 33 42 ALA N N 124.588 0.100 1 283 34 43 MET H H 7.691 0.010 1 284 34 43 MET HA H 4.285 0.010 1 285 34 43 MET HB2 H 2.107 0.010 2 286 34 43 MET HB3 H 2.107 0.010 2 287 34 43 MET HG2 H 2.578 0.010 2 288 34 43 MET HG3 H 2.706 0.010 2 289 34 43 MET C C 176.807 0.100 1 290 34 43 MET CA C 56.576 0.100 1 291 34 43 MET CB C 32.435 0.100 1 292 34 43 MET CG C 32.903 0.100 1 293 34 43 MET CE C 16.974 0.100 1 294 34 43 MET N N 116.808 0.100 1 295 35 44 GLY H H 7.793 0.010 1 296 35 44 GLY HA2 H 3.795 0.010 2 297 35 44 GLY HA3 H 4.089 0.010 2 298 35 44 GLY C C 174.493 0.100 1 299 35 44 GLY CA C 45.065 0.100 1 300 35 44 GLY N N 107.02 0.100 1 301 36 45 PHE H H 8.215 0.010 1 302 36 45 PHE HA H 4.507 0.010 1 303 36 45 PHE HB2 H 3.016 0.010 2 304 36 45 PHE HB3 H 3.111 0.010 2 305 36 45 PHE C C 176.876 0.100 1 306 36 45 PHE CA C 58.937 0.100 1 307 36 45 PHE CB C 38.178 0.100 1 308 36 45 PHE N N 120.285 0.100 1 309 37 46 THR H H 8.111 0.010 1 310 37 46 THR HA H 4.08 0.010 1 311 37 46 THR HB H 4.289 0.010 1 312 37 46 THR HG2 H 1.23 0.010 1 313 37 46 THR C C 175.751 0.100 1 314 37 46 THR CA C 64.22 0.100 1 315 37 46 THR CB C 68.514 0.100 1 316 37 46 THR CG2 C 21.126 0.100 1 317 37 46 THR N N 114.008 0.100 1 318 38 47 SER H H 8.079 0.010 1 319 38 47 SER HA H 3.918 0.010 1 320 38 47 SER HB2 H 4.298 0.010 2 321 38 47 SER HB3 H 4.298 0.010 2 322 38 47 SER C C 176.744 0.100 1 323 38 47 SER CA C 59.911 0.100 1 324 38 47 SER CB C 62.624 0.100 1 325 38 47 SER N N 116.646 0.100 1 326 39 48 VAL H H 7.985 0.010 1 327 39 48 VAL HA H 3.909 0.010 1 328 39 48 VAL HB H 2.152 0.010 1 329 39 48 VAL HG1 H 1.022 0.010 2 330 39 48 VAL HG2 H 1.022 0.010 2 331 39 48 VAL C C 177.033 0.100 1 332 39 48 VAL CA C 64.988 0.100 1 333 39 48 VAL CB C 30.667 0.100 1 334 39 48 VAL CG1 C 20.975 0.100 2 335 39 48 VAL CG2 C 21.956 0.100 2 336 39 48 VAL N N 121.929 0.100 1 337 40 49 GLY H H 8.267 0.010 1 338 40 49 GLY HA2 H 3.738 0.010 2 339 40 49 GLY HA3 H 3.909 0.010 2 340 40 49 GLY C C 176.038 0.100 1 341 40 49 GLY CA C 46.865 0.100 1 342 40 49 GLY N N 108.633 0.100 1 343 41 50 ILE H H 7.865 0.010 1 344 41 50 ILE HA H 3.871 0.010 1 345 41 50 ILE HB H 1.848 0.010 1 346 41 50 ILE HD1 H 0.908 0.010 1 347 41 50 ILE C C 178.363 0.100 1 348 41 50 ILE CA C 63.515 0.100 1 349 41 50 ILE CB C 37.238 0.100 1 350 41 50 ILE CG1 C 27.77 0.100 1 351 41 50 ILE CG2 C 16.294 0.100 1 352 41 50 ILE CD1 C 12.217 0.100 1 353 41 50 ILE N N 122.466 0.100 1 354 42 51 ALA H H 7.93 0.010 1 355 42 51 ALA HA H 4.099 0.010 1 356 42 51 ALA HB H 1.439 0.010 1 357 42 51 ALA C C 179.385 0.100 1 358 42 51 ALA CA C 54.48 0.100 1 359 42 51 ALA CB C 17.487 0.100 1 360 42 51 ALA N N 125.064 0.100 1 361 43 52 ALA H H 8.639 0.010 1 362 43 52 ALA HA H 3.937 0.010 1 363 43 52 ALA HB H 1.439 0.010 1 364 43 52 ALA C C 179.088 0.100 1 365 43 52 ALA CA C 55.1 0.100 1 366 43 52 ALA CB C 17.635 0.100 1 367 43 52 ALA N N 120.594 0.100 1 368 44 53 SER H H 8.193 0.010 1 369 44 53 SER HA H 3.966 0.010 1 370 44 53 SER HB2 H 4.07 0.010 2 371 44 53 SER HB3 H 4.07 0.010 2 372 44 53 SER C C 176.898 0.100 1 373 44 53 SER CA C 61.139 0.100 1 374 44 53 SER CB C 62.347 0.100 1 375 44 53 SER N N 113.012 0.100 1 376 45 54 SER H H 7.944 0.010 1 377 45 54 SER HA H 3.975 0.010 1 378 45 54 SER HB2 H 4.07 0.010 2 379 45 54 SER HB3 H 4.308 0.010 2 380 45 54 SER C C 177.131 0.100 1 381 45 54 SER CA C 61.21 0.100 1 382 45 54 SER CB C 62.255 0.100 1 383 45 54 SER N N 118.714 0.100 1 384 46 55 ILE H H 8.028 0.010 1 385 46 55 ILE HA H 3.757 0.010 1 386 46 55 ILE HB H 1.924 0.010 1 387 46 55 ILE HD1 H 0.889 0.010 1 388 46 55 ILE C C 177.813 0.100 1 389 46 55 ILE CA C 64.191 0.100 1 390 46 55 ILE CB C 36.926 0.100 1 391 46 55 ILE CG1 C 28.298 0.100 1 392 46 55 ILE CG2 C 17.125 0.100 1 393 46 55 ILE CD1 C 12.67 0.100 1 394 46 55 ILE N N 122.912 0.100 1 395 47 56 ALA H H 8.333 0.010 1 396 47 56 ALA HA H 3.956 0.010 1 397 47 56 ALA HB H 1.458 0.010 1 398 47 56 ALA C C 180.294 0.100 1 399 47 56 ALA CA C 54.338 0.100 1 400 47 56 ALA CB C 17.702 0.100 1 401 47 56 ALA N N 122.99 0.100 1 402 48 57 ALA H H 7.879 0.010 1 403 48 57 ALA HA H 4.068 0.010 1 404 48 57 ALA HB H 1.496 0.010 1 405 48 57 ALA CA C 54.421 0.100 1 406 48 57 ALA CB C 17.702 0.100 1 407 48 57 ALA N N 121.988 0.100 1 408 49 58 LYS H H 7.727 0.010 1 409 49 58 LYS HA H 4.146 0.010 1 410 49 58 LYS HB2 H 1.952 0.010 2 411 49 58 LYS HB3 H 1.952 0.010 2 412 49 58 LYS C C 179.649 0.100 1 413 49 58 LYS CA C 57.157 0.100 1 414 49 58 LYS CB C 31.33 0.100 1 415 49 58 LYS CG C 24.221 0.100 1 416 49 58 LYS N N 119.094 0.100 1 417 50 59 MET H H 8.395 0.010 1 418 50 59 MET HA H 4.156 0.010 1 419 50 59 MET HB2 H 2.028 0.010 2 420 50 59 MET HB3 H 2.209 0.010 2 421 50 59 MET HG2 H 2.494 0.010 2 422 50 59 MET HG3 H 2.674 0.010 2 423 50 59 MET C C 177.949 0.100 1 424 50 59 MET CA C 57.136 0.100 1 425 50 59 MET CB C 31.922 0.100 1 426 50 59 MET CG C 31.33 0.100 1 427 50 59 MET CE C 17.276 0.100 1 428 50 59 MET N N 120.498 0.100 1 429 51 60 MET H H 8.234 0.010 1 430 51 60 MET HA H 4.222 0.010 1 431 51 60 MET HB2 H 2.148 0.010 2 432 51 60 MET HB3 H 2.148 0.010 2 433 51 60 MET HG2 H 2.532 0.010 2 434 51 60 MET HG3 H 2.674 0.010 2 435 51 60 MET C C 177.674 0.100 1 436 51 60 MET CA C 57.638 0.100 1 437 51 60 MET CB C 31.785 0.100 1 438 51 60 MET CG C 31.394 0.100 1 439 51 60 MET CE C 16.823 0.100 1 440 51 60 MET N N 117.689 0.100 1 441 52 61 SER H H 7.893 0.010 1 442 52 61 SER HA H 4.001 0.010 1 443 52 61 SER HB2 H 4.361 0.010 2 444 52 61 SER HB3 H 4.629 0.010 2 445 52 61 SER C C 176.079 0.100 1 446 52 61 SER CA C 59.911 0.100 1 447 52 61 SER CB C 62.624 0.100 1 448 52 61 SER N N 114.385 0.100 1 449 53 62 THR H H 7.794 0.010 1 450 53 62 THR HA H 4.104 0.010 1 451 53 62 THR HB H 4.248 0.010 1 452 53 62 THR HG2 H 1.241 0.010 1 453 53 62 THR C C 175.436 0.100 1 454 53 62 THR CA C 64.22 0.100 1 455 53 62 THR CB C 68.514 0.100 1 456 53 62 THR CG2 C 20.975 0.100 1 457 53 62 THR N N 117.304 0.100 1 458 54 63 ALA H H 8.204 0.010 1 459 54 63 ALA HA H 4.094 0.010 1 460 54 63 ALA HB H 1.427 0.010 1 461 54 63 ALA C C 178.328 0.100 1 462 54 63 ALA CA C 54.096 0.100 1 463 54 63 ALA CB C 17.708 0.100 1 464 54 63 ALA N N 125.382 0.100 1 465 55 64 ALA H H 7.951 0.010 1 466 55 64 ALA HA H 4.125 0.010 1 467 55 64 ALA HB H 1.427 0.010 1 468 55 64 ALA C C 179.183 0.100 1 469 55 64 ALA CA C 54.037 0.100 1 470 55 64 ALA CB C 17.708 0.100 1 471 55 64 ALA N N 119.929 0.100 1 472 56 65 ILE H H 7.561 0.010 1 473 56 65 ILE HA H 3.95 0.010 1 474 56 65 ILE HB H 1.954 0.010 1 475 56 65 ILE HG12 H 1.561 0.010 2 476 56 65 ILE HG13 H 1.561 0.010 2 477 56 65 ILE HG2 H 1.2 0.010 1 478 56 65 ILE HD1 H 0.889 0.010 1 479 56 65 ILE C C 177.222 0.100 1 480 56 65 ILE CA C 62.184 0.100 1 481 56 65 ILE CB C 37.073 0.100 1 482 56 65 ILE CG1 C 27.241 0.100 1 483 56 65 ILE CG2 C 17.125 0.100 1 484 56 65 ILE CD1 C 12.217 0.100 1 485 56 65 ILE N N 117.016 0.100 1 486 57 66 ALA H H 7.982 0.010 1 487 57 66 ALA HA H 4.177 0.010 1 488 57 66 ALA HB H 1.406 0.010 1 489 57 66 ALA C C 178.19 0.100 1 490 57 66 ALA CA C 53.536 0.100 1 491 57 66 ALA CB C 17.929 0.100 1 492 57 66 ALA N N 124.191 0.100 1 493 58 67 ASN H H 8.113 0.010 1 494 58 67 ASN HA H 4.673 0.010 1 495 58 67 ASN HB2 H 2.73 0.010 2 496 58 67 ASN HB3 H 2.854 0.010 2 497 58 67 ASN C C 176.344 0.100 1 498 58 67 ASN CA C 53.477 0.100 1 499 58 67 ASN CB C 38.472 0.100 1 500 58 67 ASN CG C 176.897 0.100 1 501 58 67 ASN N N 116.132 0.100 1 502 59 68 GLY H H 8.152 0.010 1 503 59 68 GLY HA2 H 3.95 0.010 2 504 59 68 GLY HA3 H 3.95 0.010 2 505 59 68 GLY C C 174.958 0.100 1 506 59 68 GLY CA C 45.655 0.100 1 507 59 68 GLY N N 108.808 0.100 1 508 60 69 GLY H H 8.218 0.010 1 509 60 69 GLY HA2 H 3.933 0.010 2 510 60 69 GLY HA3 H 3.933 0.010 2 511 60 69 GLY C C 174.631 0.100 1 512 60 69 GLY CA C 45.419 0.100 1 513 60 69 GLY N N 108.832 0.100 1 514 61 70 GLY H H 8.175 0.010 1 515 61 70 GLY HA2 H 3.939 0.010 2 516 61 70 GLY HA3 H 3.939 0.010 2 517 61 70 GLY C C 174.594 0.100 1 518 61 70 GLY CA C 45.36 0.100 1 519 61 70 GLY N N 108.966 0.100 1 520 62 71 VAL H H 7.882 0.010 1 521 62 71 VAL HA H 4.006 0.010 1 522 62 71 VAL HB H 2.054 0.010 1 523 62 71 VAL HG1 H 0.914 0.010 2 524 62 71 VAL HG2 H 0.914 0.010 2 525 62 71 VAL C C 176.077 0.100 1 526 62 71 VAL CA C 62.39 0.100 1 527 62 71 VAL CB C 31.698 0.100 1 528 62 71 VAL N N 120.209 0.100 1 529 63 72 ALA H H 8.237 0.010 1 530 63 72 ALA HA H 4.026 0.010 1 531 63 72 ALA HB H 1.406 0.010 1 532 63 72 ALA C C 178.064 0.100 1 533 63 72 ALA CA C 52.503 0.100 1 534 63 72 ALA CB C 18.225 0.100 1 535 63 72 ALA N N 126.966 0.100 1 536 64 73 ALA H H 8.421 0.010 1 537 64 73 ALA HA H 4.015 0.010 1 538 64 73 ALA HB H 1.416 0.010 1 539 64 73 ALA C C 178.995 0.100 1 540 64 73 ALA CA C 54.421 0.100 1 541 64 73 ALA CB C 18.003 0.100 1 542 64 73 ALA N N 123.432 0.100 1 543 65 74 GLY H H 8.448 0.010 1 544 65 74 GLY HA2 H 3.824 0.010 2 545 65 74 GLY HA3 H 4.002 0.010 2 546 65 74 GLY C C 176.367 0.100 1 547 65 74 GLY CA C 46.244 0.100 1 548 65 74 GLY N N 105.577 0.100 1 549 66 75 SER H H 7.899 0.010 1 550 66 75 SER HA H 4.394 0.010 1 551 66 75 SER C C 176.329 0.100 1 552 66 75 SER CA C 60.236 0.100 1 553 66 75 SER CB C 62.476 0.100 1 554 66 75 SER N N 117.656 0.100 1 555 67 76 LEU H H 7.955 0.010 1 556 67 76 LEU HA H 4.05 0.010 1 557 67 76 LEU HB2 H 1.702 0.010 2 558 67 76 LEU HB3 H 1.702 0.010 2 559 67 76 LEU HD1 H 0.879 0.010 2 560 67 76 LEU HD2 H 0.879 0.010 2 561 67 76 LEU C C 178.442 0.100 1 562 67 76 LEU CA C 57.52 0.100 1 563 67 76 LEU CB C 40.681 0.100 1 564 67 76 LEU CG C 26.438 0.100 1 565 67 76 LEU N N 122.743 0.100 1 566 68 77 VAL H H 8.039 0.010 1 567 68 77 VAL HA H 3.471 0.010 1 568 68 77 VAL HB H 2.089 0.010 1 569 68 77 VAL HG1 H 0.891 0.010 2 570 68 77 VAL HG2 H 1.031 0.010 2 571 68 77 VAL C C 177.297 0.100 1 572 68 77 VAL CA C 66.67 0.100 1 573 68 77 VAL CB C 30.52 0.100 1 574 68 77 VAL CG1 C 20.388 0.100 2 575 68 77 VAL CG2 C 22.454 0.100 2 576 68 77 VAL N N 118.4 0.100 1 577 69 78 ALA H H 7.631 0.010 1 578 69 78 ALA HA H 4.205 0.010 1 579 69 78 ALA HB H 1.495 0.010 1 580 69 78 ALA C C 181.258 0.100 1 581 69 78 ALA CA C 54.982 0.100 1 582 69 78 ALA CB C 17.414 0.100 1 583 69 78 ALA N N 121.927 0.100 1 584 70 79 ILE H H 7.841 0.010 1 585 70 79 ILE HA H 3.796 0.010 1 586 70 79 ILE HB H 1.819 0.010 1 587 70 79 ILE HD1 H 0.872 0.010 1 588 70 79 ILE C C 178.253 0.100 1 589 70 79 ILE CA C 64.352 0.100 1 590 70 79 ILE CB C 37.073 0.100 1 591 70 79 ILE CG1 C 28.135 0.100 1 592 70 79 ILE CG2 C 16.846 0.100 1 593 70 79 ILE CD1 C 12.788 0.100 1 594 70 79 ILE N N 119.782 0.100 1 595 71 80 LEU H H 8.19 0.010 1 596 71 80 LEU HA H 3.937 0.010 1 597 71 80 LEU HB2 H 1.924 0.010 2 598 71 80 LEU HB3 H 1.924 0.010 2 599 71 80 LEU HD1 H 0.841 0.010 2 600 71 80 LEU HD2 H 0.841 0.010 2 601 71 80 LEU C C 179.234 0.100 1 602 71 80 LEU CA C 57.845 0.100 1 603 71 80 LEU CB C 40.019 0.100 1 604 71 80 LEU CG C 26.069 0.100 1 605 71 80 LEU N N 120.841 0.100 1 606 72 81 GLN H H 8.489 0.010 1 607 72 81 GLN HA H 3.969 0.010 1 608 72 81 GLN HB2 H 2.082 0.010 2 609 72 81 GLN HB3 H 2.082 0.010 2 610 72 81 GLN HG2 H 2.228 0.010 2 611 72 81 GLN HG3 H 2.228 0.010 2 612 72 81 GLN C C 178.53 0.100 1 613 72 81 GLN CA C 58.819 0.100 1 614 72 81 GLN CB C 27.28 0.100 1 615 72 81 GLN CG C 33.743 0.100 1 616 72 81 GLN N N 117.558 0.100 1 617 73 82 SER H H 7.855 0.010 1 618 73 82 SER HA H 4.233 0.010 1 619 73 82 SER HB2 H 3.779 0.010 2 620 73 82 SER HB3 H 3.779 0.010 2 621 73 82 SER C C 177.243 0.100 1 622 73 82 SER CA C 61.044 0.100 1 623 73 82 SER CB C 62.257 0.100 1 624 73 82 SER N N 116.103 0.100 1 625 74 83 VAL H H 8.03 0.010 1 626 74 83 VAL C C 177.979 0.100 1 627 74 83 VAL CA C 65.106 0.100 1 628 74 83 VAL CB C 30.741 0.100 1 629 74 83 VAL CG1 C 20.83 0.100 2 630 74 83 VAL CG2 C 21.716 0.100 2 631 74 83 VAL N N 120.362 0.100 1 632 75 84 GLY H H 8.369 0.010 1 633 75 84 GLY HA2 H 3.757 0.010 2 634 75 84 GLY HA3 H 3.757 0.010 2 635 75 84 GLY C C 174.913 0.100 1 636 75 84 GLY CA C 46.777 0.100 1 637 75 84 GLY N N 108.223 0.100 1 638 76 85 ALA H H 8.115 0.010 1 639 76 85 ALA HA H 4.094 0.010 1 640 76 85 ALA HB H 1.484 0.010 1 641 76 85 ALA CA C 54.598 0.100 1 642 76 85 ALA CB C 17.623 0.100 1 643 76 85 ALA N N 123.55 0.100 1 644 77 86 ALA H H 8.632 0.010 1 645 77 86 ALA C C 178.988 0.100 1 646 77 86 ALA CA C 54.836 0.100 1 647 77 86 ALA CB C 17.51 0.100 1 648 77 86 ALA N N 120.41 0.100 1 649 78 87 GLY H H 8.196 0.010 1 650 78 87 GLY HA2 H 3.91 0.010 2 651 78 87 GLY HA3 H 3.91 0.010 2 652 78 87 GLY C C 175.939 0.100 1 653 78 87 GLY CA C 46.118 0.100 1 654 78 87 GLY N N 105.706 0.100 1 655 79 88 LEU H H 8.449 0.010 1 656 79 88 LEU CA C 57.402 0.100 1 657 79 88 LEU CB C 40.387 0.100 1 658 79 88 LEU CG C 26.217 0.100 1 659 79 88 LEU N N 124.128 0.100 1 660 80 89 SER H H 8.12 0.010 1 661 80 89 SER C C 179.153 0.100 1 662 80 89 SER CA C 61.023 0.100 1 663 80 89 SER CB C 62.255 0.100 1 664 80 89 SER N N 116.251 0.100 1 665 81 90 VAL H H 7.955 0.010 1 666 81 90 VAL C C 177.652 0.100 1 667 81 90 VAL CA C 65.076 0.100 1 668 81 90 VAL CB C 31.33 0.100 1 669 81 90 VAL CG1 C 20.883 0.100 2 670 81 90 VAL CG2 C 21.799 0.100 2 671 81 90 VAL N N 119.31 0.100 1 672 82 91 THR H H 7.888 0.010 1 673 82 91 THR C C 176.571 0.100 1 674 82 91 THR CA C 66.434 0.100 1 675 82 91 THR CB C 67.742 0.100 1 676 82 91 THR CG2 C 21.112 0.100 1 677 82 91 THR N N 115.535 0.100 1 678 83 92 SER H H 8.212 0.010 1 679 83 92 SER HA H 4.04 0.010 1 680 83 92 SER HB2 H 3.961 0.010 2 681 83 92 SER HB3 H 3.961 0.010 2 682 83 92 SER C C 176.761 0.100 1 683 83 92 SER CA C 61.564 0.100 1 684 83 92 SER CB C 62.009 0.100 1 685 83 92 SER N N 116.537 0.100 1 686 84 93 LYS H H 7.642 0.010 1 687 84 93 LYS HA H 4.119 0.010 1 688 84 93 LYS HB2 H 1.955 0.010 2 689 84 93 LYS HB3 H 1.955 0.010 2 690 84 93 LYS C C 172.812 0.100 1 691 84 93 LYS CA C 58.435 0.100 1 692 84 93 LYS CB C 31.477 0.100 1 693 84 93 LYS CG C 24.393 0.100 1 694 84 93 LYS N N 122.353 0.100 1 695 85 94 VAL H H 8.414 0.010 1 696 85 94 VAL C C 177.948 0.100 1 697 85 94 VAL CA C 65.389 0.100 1 698 85 94 VAL CB C 31.846 0.100 1 699 85 94 VAL N N 119.348 0.100 1 700 86 95 ILE H H 8.169 0.010 1 701 86 95 ILE C C 177.972 0.100 1 702 86 95 ILE CA C 63.837 0.100 1 703 86 95 ILE CB C 36.632 0.100 1 704 86 95 ILE CG1 C 27.903 0.100 1 705 86 95 ILE CG2 C 17.145 0.100 1 706 86 95 ILE N N 118.769 0.100 1 707 87 96 GLY H H 8.182 0.010 1 708 87 96 GLY C C 176.571 0.100 1 709 87 96 GLY CA C 46.511 0.100 1 710 87 96 GLY N N 107.955 0.100 1 711 88 97 GLY H H 7.953 0.010 1 712 88 97 GLY HA2 H 3.835 0.010 2 713 88 97 GLY HA3 H 4.026 0.010 2 714 88 97 GLY C C 175.524 0.100 1 715 88 97 GLY CA C 45.832 0.100 1 716 88 97 GLY N N 109.117 0.100 1 717 89 98 PHE H H 8 0.010 1 718 89 98 PHE HB2 H 3.141 0.010 2 719 89 98 PHE HB3 H 3.141 0.010 2 720 89 98 PHE C C 176.367 0.100 1 721 89 98 PHE CA C 56.9 0.100 1 722 89 98 PHE CB C 38.832 0.100 1 723 89 98 PHE N N 121.1 0.100 1 724 90 99 ALA H H 8.322 0.010 1 725 90 99 ALA HB H 1.439 0.010 1 726 90 99 ALA C C 178.348 0.100 1 727 90 99 ALA CA C 55.277 0.100 1 728 90 99 ALA CB C 17.414 0.100 1 729 90 99 ALA N N 122.834 0.100 1 730 91 100 GLY H H 8 0.010 1 731 91 100 GLY C C 175.878 0.100 1 732 91 100 GLY CA C 45.626 0.100 1 733 91 100 GLY N N 106.688 0.100 1 734 92 101 THR H H 7.754 0.010 1 735 92 101 THR C C 178.476 0.100 1 736 92 101 THR CA C 63.364 0.100 1 737 92 101 THR CB C 69.619 0.100 1 738 92 101 THR CG2 C 20.927 0.100 1 739 92 101 THR N N 115.689 0.100 1 740 93 102 ALA H H 7.919 0.010 1 741 93 102 ALA CA C 54.311 0.100 1 742 93 102 ALA CB C 17.679 0.100 1 743 93 102 ALA N N 124.835 0.100 1 744 94 103 LEU H H 8.037 0.010 1 745 94 103 LEU CA C 56.782 0.100 1 746 94 103 LEU CB C 40.902 0.100 1 747 94 103 LEU CG C 26.759 0.100 1 748 94 103 LEU N N 117.445 0.100 1 749 95 104 GLY H H 7.9 0.010 1 750 95 104 GLY C C 175.851 0.100 1 751 95 104 GLY CA C 46.57 0.100 1 752 95 104 GLY N N 106.296 0.100 1 753 96 105 ALA H H 7.804 0.010 1 754 96 105 ALA CA C 54.126 0.100 1 755 96 105 ALA CB C 17.587 0.100 1 756 96 105 ALA N N 123.872 0.100 1 757 97 106 TRP H H 8.385 0.010 1 758 97 106 TRP C C 176.857 0.100 1 759 97 106 TRP CA C 56.9 0.100 1 760 97 106 TRP N N 120.348 0.100 1 761 98 107 LEU H H 7.88 0.010 1 762 98 107 LEU C C 177.659 0.100 1 763 98 107 LEU CA C 55.103 0.100 1 764 98 107 LEU CB C 41.418 0.100 1 765 98 107 LEU CG C 26.051 0.100 1 766 98 107 LEU N N 117.756 0.100 1 767 99 108 GLY H H 7.694 0.010 1 768 99 108 GLY C C 173.815 0.100 1 769 99 108 GLY CA C 44.947 0.100 1 770 99 108 GLY N N 107.285 0.100 1 771 100 109 SER H H 8.03 0.010 1 772 100 109 SER C C 172.179 0.100 1 773 100 109 SER CA C 56.015 0.100 1 774 100 109 SER CB C 62.771 0.100 1 775 100 109 SER N N 117.139 0.100 1 776 102 111 PRO C C 177.073 0.100 1 777 102 111 PRO CA C 62.199 0.100 1 778 102 111 PRO CB C 31.211 0.100 1 779 103 112 SER H H 8.345 0.010 1 780 103 112 SER C C 173.898 0.100 1 781 103 112 SER CA C 57.904 0.100 1 782 103 112 SER CB C 63.36 0.100 1 783 103 112 SER N N 117.115 0.100 1 784 104 113 SER H H 7.899 0.010 1 785 104 113 SER CA C 59.616 0.100 1 786 104 113 SER CB C 64.17 0.100 1 787 104 113 SER N N 123.608 0.100 1 stop_ save_