data_15208 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Embryonic Neural Inducing Factor Churchill is not a DNA-Binding Zinc Finger Protein: Solution Structure Reveals a Solvent-Exposed Beta-Sheet and Zinc Binuclear Cluster ; _BMRB_accession_number 15208 _BMRB_flat_file_name bmr15208.str _Entry_type original _Submission_date 2007-04-07 _Accession_date 2007-04-07 _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 Lee Brian M. . 2 Buck-Koehntop Bethany A. . 3 Martinez-Yamout Maria A. . 4 Gottesfeld Joel M. . 5 Dyson 'H. Jane' . . 6 Wright Peter E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 628 "13C chemical shifts" 454 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-04 update BMRB 'Renumber residue codes in data table' 2008-05-06 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Embryonic Neural Inducing Factor Churchill is not a DNA-Binding Zinc Finger Protein: Solution Structure Reveals a Solvent-Exposed Beta-Sheet and Zinc Binuclear Cluster ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17610897 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee Brian M. . 2 Buck-Koehntop Bethany A. . 3 Martinez-Yamout Maria A. . 4 Dyson 'H. Jane' . . 5 Wright Peter E. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 371 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1274 _Page_last 1289 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Churchill _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label protein $Churchill 'zinc ion, 1' $ZN 'zinc ion, 2' $ZN 'zinc ion, 3' $ZN 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_Churchill _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Churchill _Molecular_mass 12166.857 _Mol_thiol_state 'free and bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; CGDCVEKEYPNRGNTCLENG SFLLNFTGCAVCSKRDFMLI TNKSLKEEDGEEIVTYDHLC KNCHHVIARHEYTFSIMDEF QEYTMLCLLCGKAEDTISIL PDDPRQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 CYS 2 3 GLY 3 4 ASP 4 5 CYS 5 6 VAL 6 7 GLU 7 8 LYS 8 9 GLU 9 10 TYR 10 11 PRO 11 12 ASN 12 13 ARG 13 14 GLY 14 15 ASN 15 16 THR 16 17 CYS 17 18 LEU 18 19 GLU 19 20 ASN 20 21 GLY 21 22 SER 22 23 PHE 23 24 LEU 24 25 LEU 25 26 ASN 26 27 PHE 27 28 THR 28 29 GLY 29 30 CYS 30 31 ALA 31 32 VAL 32 33 CYS 33 34 SER 34 35 LYS 35 36 ARG 36 37 ASP 37 38 PHE 38 39 MET 39 40 LEU 40 41 ILE 41 42 THR 42 43 ASN 43 44 LYS 44 45 SER 45 46 LEU 46 47 LYS 47 48 GLU 48 49 GLU 49 50 ASP 50 51 GLY 51 52 GLU 52 53 GLU 53 54 ILE 54 55 VAL 55 56 THR 56 57 TYR 57 58 ASP 58 59 HIS 59 60 LEU 60 61 CYS 61 62 LYS 62 63 ASN 63 64 CYS 64 65 HIS 65 66 HIS 66 67 VAL 67 68 ILE 68 69 ALA 69 70 ARG 70 71 HIS 71 72 GLU 72 73 TYR 73 74 THR 74 75 PHE 75 76 SER 76 77 ILE 77 78 MET 78 79 ASP 79 80 GLU 80 81 PHE 81 82 GLN 82 83 GLU 83 84 TYR 84 85 THR 85 86 MET 86 87 LEU 87 88 CYS 88 89 LEU 89 90 LEU 90 91 CYS 91 92 GLY 92 93 LYS 93 94 ALA 94 95 GLU 95 96 ASP 96 97 THR 97 98 ILE 98 99 SER 99 100 ILE 100 101 LEU 101 102 PRO 102 103 ASP 103 104 ASP 104 105 PRO 105 106 ARG 106 107 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 2JOX "Embryonic Neural Inducing Factor Churchill Is Not A Dna- Binding Zinc Finger Protein: Solution Structure Reveals A Solvent-Expo" 100.00 106 100.00 100.00 1.35e-71 DBJ BAG51943 "unnamed protein product [Homo sapiens]" 100.00 112 100.00 100.00 1.05e-71 DBJ BAG59416 "unnamed protein product [Homo sapiens]" 76.42 471 100.00 100.00 2.76e-49 DBJ BAH12268 "unnamed protein product [Homo sapiens]" 77.36 119 98.78 100.00 6.71e-52 EMBL CAH92555 "hypothetical protein [Pongo abelii]" 100.00 139 100.00 100.00 3.96e-72 GB AAH20550 "Churchill domain containing 1 [Homo sapiens]" 100.00 112 100.00 100.00 1.05e-71 GB AAI68770 "Churchill domain containing 1 [Rattus norvegicus]" 100.00 112 97.17 99.06 2.57e-70 GB AIC61091 "CHURC1, partial [synthetic construct]" 100.00 112 100.00 100.00 1.05e-71 GB EAW80884 "churchill domain containing 1, isoform CRA_b [Homo sapiens]" 100.00 139 100.00 100.00 3.96e-72 GB EAW80885 "churchill domain containing 1, isoform CRA_b [Homo sapiens]" 100.00 139 100.00 100.00 3.96e-72 REF NP_001100211 "protein Churchill [Rattus norvegicus]" 100.00 112 97.17 99.06 2.57e-70 REF NP_001126496 "protein Churchill [Pongo abelii]" 100.00 139 100.00 100.00 3.96e-72 REF NP_001189488 "CHURC1-FNTB protein isoform 1 [Homo sapiens]" 76.42 498 100.00 100.00 6.25e-51 REF NP_001190992 "protein Churchill isoform 2 [Homo sapiens]" 100.00 139 100.00 100.00 3.96e-72 REF NP_660148 "protein Churchill isoform 1 [Homo sapiens]" 100.94 140 98.13 98.13 5.70e-69 SP Q5R6Q5 "RecName: Full=Protein Churchill" 100.00 139 100.00 100.00 3.96e-72 SP Q8WUH1 "RecName: Full=Protein Churchill" 100.00 139 100.00 100.00 3.96e-72 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN N 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Churchill 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 $Churchill 'recombinant technology' . Escherichia coli . pET21a 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 _Isotopic_labeling $Churchill 1 mM '[U-13C; U-15N]' Tris 25 mM 'natural abundance' NaCl 100 mM 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'peak picking' refinement stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'chemical shift calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 900 _Details . save_ save_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_(HCA)CO(CA)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (HCA)CO(CA)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_CBCGCD_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCGCD' _Sample_label $sample_1 save_ save_3D_CBCGCE_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCGCE' _Sample_label $sample_1 save_ save_3D_HNHB_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ save_3D_HACAHB-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HACAHB-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 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' 40 . mM pH 6.8 . pH pressure 1 . atm temperature 298 . 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 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 '3D HNCO' '3D HNCA' '3D CBCA(CO)NH' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name protein _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 2 1 CYS HA H 4.451 . 1 2 2 1 CYS HB2 H 3.403 . 2 3 2 1 CYS HB3 H 3.067 . 2 4 2 1 CYS C C 177.398 . 1 5 2 1 CYS CA C 57.071 . 1 6 2 1 CYS CB C 34.419 . 1 7 3 2 GLY H H 8.990 . 1 8 3 2 GLY HA2 H 4.130 . 2 9 3 2 GLY HA3 H 3.845 . 2 10 3 2 GLY C C 174.588 . 1 11 3 2 GLY CA C 46.757 . 1 12 3 2 GLY N N 104.875 . 1 13 4 3 ASP H H 8.603 . 1 14 4 3 ASP HA H 4.894 . 1 15 4 3 ASP HB2 H 2.825 . 1 16 4 3 ASP HB3 H 2.825 . 1 17 4 3 ASP C C 177.346 . 1 18 4 3 ASP CA C 55.547 . 1 19 4 3 ASP CB C 40.874 . 1 20 4 3 ASP N N 119.926 . 1 21 5 4 CYS H H 7.975 . 1 22 5 4 CYS HA H 4.798 . 1 23 5 4 CYS HB2 H 3.654 . 2 24 5 4 CYS HB3 H 3.530 . 2 25 5 4 CYS C C 174.952 . 1 26 5 4 CYS CA C 62.802 . 1 27 5 4 CYS CB C 32.471 . 1 28 5 4 CYS N N 120.561 . 1 29 6 5 VAL H H 6.930 . 1 30 6 5 VAL HA H 5.667 . 1 31 6 5 VAL HB H 2.409 . 1 32 6 5 VAL HG1 H 0.775 . 2 33 6 5 VAL HG2 H 0.714 . 2 34 6 5 VAL C C 175.507 . 1 35 6 5 VAL CA C 57.440 . 1 36 6 5 VAL CB C 34.791 . 1 37 6 5 VAL CG1 C 22.012 . 2 38 6 5 VAL CG2 C 18.427 . 2 39 6 5 VAL N N 105.881 . 1 40 7 6 GLU H H 8.036 . 1 41 7 6 GLU HA H 4.090 . 1 42 7 6 GLU HB2 H 2.345 . 2 43 7 6 GLU HB3 H 1.971 . 2 44 7 6 GLU HG2 H 2.252 . 2 45 7 6 GLU HG3 H 2.142 . 2 46 7 6 GLU C C 177.814 . 1 47 7 6 GLU CA C 58.685 . 1 48 7 6 GLU CB C 29.103 . 1 49 7 6 GLU CG C 36.332 . 1 50 7 6 GLU N N 123.388 . 1 51 8 7 LYS H H 9.037 . 1 52 8 7 LYS HA H 4.607 . 1 53 8 7 LYS HB2 H 1.789 . 2 54 8 7 LYS HB3 H 1.701 . 2 55 8 7 LYS HG2 H 1.451 . 2 56 8 7 LYS HG3 H 1.376 . 2 57 8 7 LYS HD2 H 1.781 . 1 58 8 7 LYS HD3 H 1.781 . 1 59 8 7 LYS HE2 H 3.069 . 1 60 8 7 LYS HE3 H 3.069 . 1 61 8 7 LYS C C 174.744 . 1 62 8 7 LYS CA C 53.936 . 1 63 8 7 LYS CB C 35.644 . 1 64 8 7 LYS CG C 24.657 . 1 65 8 7 LYS CD C 28.900 . 1 66 8 7 LYS CE C 42.050 . 1 67 8 7 LYS N N 119.746 . 1 68 9 8 GLU H H 8.907 . 1 69 9 8 GLU HA H 4.131 . 1 70 9 8 GLU HB2 H 2.082 . 1 71 9 8 GLU HB3 H 2.082 . 1 72 9 8 GLU HG2 H 2.490 . 2 73 9 8 GLU HG3 H 2.045 . 2 74 9 8 GLU C C 176.912 . 1 75 9 8 GLU CA C 57.024 . 1 76 9 8 GLU CB C 30.082 . 1 77 9 8 GLU CG C 36.792 . 1 78 9 8 GLU N N 124.302 . 1 79 10 9 TYR H H 9.063 . 1 80 10 9 TYR HA H 3.887 . 1 81 10 9 TYR HB2 H 3.337 . 2 82 10 9 TYR HB3 H 2.711 . 2 83 10 9 TYR HD1 H 6.848 . 1 84 10 9 TYR HD2 H 6.848 . 1 85 10 9 TYR HE1 H 6.794 . 1 86 10 9 TYR HE2 H 6.794 . 1 87 10 9 TYR C C 171.330 . 1 88 10 9 TYR CA C 57.929 . 1 89 10 9 TYR CB C 36.725 . 1 90 10 9 TYR CD1 C 133.768 . 2 91 10 9 TYR CE1 C 118.065 . 2 92 10 9 TYR N N 117.009 . 1 93 11 10 PRO HA H 4.268 . 1 94 11 10 PRO HB2 H 2.116 . 2 95 11 10 PRO HB3 H 1.944 . 2 96 11 10 PRO HG2 H 2.088 . 2 97 11 10 PRO HG3 H 1.996 . 2 98 11 10 PRO HD2 H 3.944 . 2 99 11 10 PRO HD3 H 3.166 . 2 100 11 10 PRO C C 176.062 . 1 101 11 10 PRO CA C 62.990 . 1 102 11 10 PRO CB C 31.424 . 1 103 11 10 PRO CG C 27.735 . 1 104 11 10 PRO CD C 50.318 . 1 105 12 11 ASN H H 8.776 . 1 106 12 11 ASN HA H 4.741 . 1 107 12 11 ASN HB2 H 3.035 . 2 108 12 11 ASN HB3 H 2.948 . 2 109 12 11 ASN HD21 H 7.769 . 2 110 12 11 ASN HD22 H 7.136 . 2 111 12 11 ASN C C 176.947 . 1 112 12 11 ASN CA C 54.517 . 1 113 12 11 ASN CB C 38.160 . 1 114 12 11 ASN N N 120.237 . 1 115 12 11 ASN ND2 N 113.207 . 1 116 13 12 ARG H H 8.761 . 1 117 13 12 ARG HA H 4.679 . 1 118 13 12 ARG HB2 H 2.223 . 2 119 13 12 ARG HB3 H 1.410 . 2 120 13 12 ARG HG2 H 1.783 . 2 121 13 12 ARG HG3 H 1.594 . 2 122 13 12 ARG HD2 H 2.853 . 1 123 13 12 ARG HD3 H 2.853 . 1 124 13 12 ARG HE H 7.113 . 1 125 13 12 ARG C C 177.502 . 1 126 13 12 ARG CA C 52.345 . 1 127 13 12 ARG CB C 28.385 . 1 128 13 12 ARG CG C 25.961 . 1 129 13 12 ARG CD C 40.024 . 1 130 13 12 ARG N N 126.676 . 1 131 13 12 ARG NE N 79.951 . 1 132 14 13 GLY H H 8.651 . 1 133 14 13 GLY HA2 H 4.032 . 2 134 14 13 GLY HA3 H 3.749 . 2 135 14 13 GLY C C 173.635 . 1 136 14 13 GLY CA C 47.886 . 1 137 14 13 GLY N N 110.822 . 1 138 15 14 ASN H H 8.636 . 1 139 15 14 ASN HA H 5.323 . 1 140 15 14 ASN HB2 H 2.940 . 1 141 15 14 ASN HB3 H 2.940 . 1 142 15 14 ASN HD21 H 7.760 . 2 143 15 14 ASN HD22 H 6.838 . 2 144 15 14 ASN C C 175.053 . 1 145 15 14 ASN CA C 52.131 . 1 146 15 14 ASN CB C 39.351 . 1 147 15 14 ASN N N 126.017 . 1 148 15 14 ASN ND2 N 111.850 . 1 149 16 15 THR H H 7.842 . 1 150 16 15 THR HA H 3.930 . 1 151 16 15 THR HB H 4.226 . 1 152 16 15 THR HG2 H 1.103 . 1 153 16 15 THR C C 170.825 . 1 154 16 15 THR CA C 62.905 . 1 155 16 15 THR CB C 68.787 . 1 156 16 15 THR CG2 C 21.329 . 1 157 16 15 THR N N 119.535 . 1 158 17 16 CYS H H 7.922 . 1 159 17 16 CYS HA H 4.503 . 1 160 17 16 CYS HB2 H 3.118 . 2 161 17 16 CYS HB3 H 2.510 . 2 162 17 16 CYS C C 173.791 . 1 163 17 16 CYS CA C 57.316 . 1 164 17 16 CYS CB C 28.524 . 1 165 17 16 CYS N N 122.474 . 1 166 18 17 LEU H H 8.517 . 1 167 18 17 LEU HA H 4.734 . 1 168 18 17 LEU HB2 H 2.072 . 2 169 18 17 LEU HB3 H 1.721 . 2 170 18 17 LEU HG H 1.466 . 1 171 18 17 LEU HD1 H 0.860 . 2 172 18 17 LEU HD2 H 0.803 . 2 173 18 17 LEU C C 175.813 . 1 174 18 17 LEU CA C 54.516 . 1 175 18 17 LEU CB C 43.706 . 1 176 18 17 LEU CG C 27.124 . 1 177 18 17 LEU CD1 C 25.326 . 2 178 18 17 LEU CD2 C 23.684 . 2 179 18 17 LEU N N 126.322 . 1 180 19 18 GLU H H 8.906 . 1 181 19 18 GLU HA H 3.740 . 1 182 19 18 GLU HB2 H 1.527 . 2 183 19 18 GLU HB3 H 0.546 . 2 184 19 18 GLU HG2 H 1.900 . 2 185 19 18 GLU HG3 H 1.792 . 2 186 19 18 GLU C C 172.401 . 1 187 19 18 GLU CA C 54.921 . 1 188 19 18 GLU CB C 29.201 . 1 189 19 18 GLU CG C 35.000 . 1 190 19 18 GLU N N 123.469 . 1 191 20 19 ASN H H 7.289 . 1 192 20 19 ASN HA H 4.546 . 1 193 20 19 ASN HB2 H 2.475 . 1 194 20 19 ASN HB3 H 2.475 . 1 195 20 19 ASN HD21 H 7.556 . 2 196 20 19 ASN HD22 H 6.709 . 2 197 20 19 ASN C C 175.661 . 1 198 20 19 ASN CA C 51.197 . 1 199 20 19 ASN CB C 41.459 . 1 200 20 19 ASN N N 115.306 . 1 201 20 19 ASN ND2 N 113.707 . 1 202 21 20 GLY H H 7.588 . 1 203 21 20 GLY HA2 H 4.251 . 2 204 21 20 GLY HA3 H 3.785 . 2 205 21 20 GLY C C 174.045 . 1 206 21 20 GLY CA C 44.551 . 1 207 21 20 GLY N N 104.753 . 1 208 22 21 SER H H 8.239 . 1 209 22 21 SER HA H 4.854 . 1 210 22 21 SER HB2 H 3.611 . 2 211 22 21 SER HB3 H 3.514 . 2 212 22 21 SER C C 173.202 . 1 213 22 21 SER CA C 57.545 . 1 214 22 21 SER CB C 65.916 . 1 215 22 21 SER N N 111.425 . 1 216 23 22 PHE H H 7.647 . 1 217 23 22 PHE HA H 5.245 . 1 218 23 22 PHE HB2 H 3.473 . 2 219 23 22 PHE HB3 H 3.242 . 2 220 23 22 PHE HD1 H 7.551 . 1 221 23 22 PHE HD2 H 7.551 . 1 222 23 22 PHE HE1 H 7.310 . 1 223 23 22 PHE HE2 H 7.310 . 1 224 23 22 PHE HZ H 7.311 . 1 225 23 22 PHE C C 174.382 . 1 226 23 22 PHE CA C 53.852 . 1 227 23 22 PHE CB C 38.016 . 1 228 23 22 PHE CD1 C 130.330 . 2 229 23 22 PHE CE1 C 131.273 . 2 230 23 22 PHE CZ C 129.972 . 1 231 23 22 PHE N N 128.100 . 1 232 24 23 LEU H H 7.873 . 1 233 24 23 LEU HA H 3.859 . 1 234 24 23 LEU HB2 H 1.790 . 2 235 24 23 LEU HB3 H 1.693 . 2 236 24 23 LEU HG H 1.776 . 1 237 24 23 LEU HD1 H 1.073 . 2 238 24 23 LEU HD2 H 0.911 . 2 239 24 23 LEU C C 178.892 . 1 240 24 23 LEU CA C 57.955 . 1 241 24 23 LEU CB C 41.371 . 1 242 24 23 LEU CG C 27.199 . 1 243 24 23 LEU CD1 C 24.995 . 2 244 24 23 LEU CD2 C 23.746 . 2 245 24 23 LEU N N 127.220 . 1 246 25 24 LEU H H 7.600 . 1 247 25 24 LEU HA H 3.918 . 1 248 25 24 LEU HB2 H 1.152 . 2 249 25 24 LEU HB3 H 1.056 . 2 250 25 24 LEU HG H 1.520 . 1 251 25 24 LEU HD1 H 0.902 . 2 252 25 24 LEU HD2 H 0.858 . 2 253 25 24 LEU C C 176.990 . 1 254 25 24 LEU CA C 56.837 . 1 255 25 24 LEU CB C 41.668 . 1 256 25 24 LEU CG C 26.892 . 1 257 25 24 LEU CD1 C 24.511 . 2 258 25 24 LEU CD2 C 24.150 . 2 259 25 24 LEU N N 117.485 . 1 260 26 25 ASN H H 6.800 . 1 261 26 25 ASN HA H 4.878 . 1 262 26 25 ASN HB2 H 2.726 . 2 263 26 25 ASN HB3 H 2.124 . 2 264 26 25 ASN HD21 H 9.114 . 2 265 26 25 ASN HD22 H 8.664 . 2 266 26 25 ASN C C 173.416 . 1 267 26 25 ASN CA C 51.460 . 1 268 26 25 ASN CB C 40.992 . 1 269 26 25 ASN N N 112.749 . 1 270 26 25 ASN ND2 N 117.413 . 1 271 27 26 PHE H H 7.677 . 1 272 27 26 PHE HA H 5.245 . 1 273 27 26 PHE HB2 H 3.445 . 2 274 27 26 PHE HB3 H 2.835 . 2 275 27 26 PHE HD1 H 7.487 . 1 276 27 26 PHE HD2 H 7.487 . 1 277 27 26 PHE HE1 H 7.493 . 1 278 27 26 PHE HE2 H 7.493 . 1 279 27 26 PHE C C 175.360 . 1 280 27 26 PHE CA C 53.903 . 1 281 27 26 PHE CB C 39.604 . 1 282 27 26 PHE CD1 C 131.675 . 2 283 27 26 PHE CE1 C 131.457 . 2 284 27 26 PHE N N 119.839 . 1 285 28 27 THR H H 8.838 . 1 286 28 27 THR HA H 4.104 . 1 287 28 27 THR HB H 4.166 . 1 288 28 27 THR HG2 H 0.971 . 1 289 28 27 THR C C 174.202 . 1 290 28 27 THR CA C 61.959 . 1 291 28 27 THR CB C 67.687 . 1 292 28 27 THR CG2 C 21.920 . 1 293 28 27 THR N N 121.155 . 1 294 29 28 GLY H H 5.553 . 1 295 29 28 GLY HA2 H 4.025 . 2 296 29 28 GLY HA3 H 2.318 . 2 297 29 28 GLY C C 171.257 . 1 298 29 28 GLY CA C 43.353 . 1 299 29 28 GLY N N 107.843 . 1 300 30 29 CYS H H 8.008 . 1 301 30 29 CYS HA H 4.973 . 1 302 30 29 CYS HB2 H 3.368 . 2 303 30 29 CYS HB3 H 3.229 . 2 304 30 29 CYS C C 178.734 . 1 305 30 29 CYS CA C 60.143 . 1 306 30 29 CYS CB C 31.851 . 1 307 30 29 CYS N N 125.343 . 1 308 31 30 ALA H H 9.710 . 1 309 31 30 ALA HA H 3.940 . 1 310 31 30 ALA HB H 1.270 . 1 311 31 30 ALA C C 177.777 . 1 312 31 30 ALA CA C 54.324 . 1 313 31 30 ALA CB C 21.349 . 1 314 31 30 ALA N N 136.626 . 1 315 32 31 VAL H H 8.922 . 1 316 32 31 VAL HA H 3.759 . 1 317 32 31 VAL HB H 2.292 . 1 318 32 31 VAL HG1 H 0.848 . 2 319 32 31 VAL HG2 H 0.376 . 2 320 32 31 VAL C C 177.748 . 1 321 32 31 VAL CA C 65.235 . 1 322 32 31 VAL CB C 31.883 . 1 323 32 31 VAL CG1 C 21.369 . 2 324 32 31 VAL CG2 C 21.287 . 2 325 32 31 VAL N N 120.740 . 1 326 33 32 CYS H H 8.756 . 1 327 33 32 CYS HA H 4.966 . 1 328 33 32 CYS HB2 H 3.136 . 2 329 33 32 CYS HB3 H 2.654 . 2 330 33 32 CYS C C 176.876 . 1 331 33 32 CYS CA C 59.072 . 1 332 33 32 CYS CB C 31.472 . 1 333 33 32 CYS N N 120.481 . 1 334 34 33 SER H H 8.034 . 1 335 34 33 SER HA H 4.282 . 1 336 34 33 SER HB2 H 4.160 . 2 337 34 33 SER HB3 H 3.980 . 2 338 34 33 SER C C 173.616 . 1 339 34 33 SER CA C 61.111 . 1 340 34 33 SER CB C 62.774 . 1 341 34 33 SER N N 117.116 . 1 342 35 34 LYS H H 8.225 . 1 343 35 34 LYS HA H 4.437 . 1 344 35 34 LYS HB2 H 2.107 . 2 345 35 34 LYS HB3 H 1.909 . 2 346 35 34 LYS HG2 H 1.568 . 2 347 35 34 LYS HG3 H 1.513 . 2 348 35 34 LYS HD2 H 1.663 . 1 349 35 34 LYS HD3 H 1.663 . 1 350 35 34 LYS HE2 H 2.948 . 1 351 35 34 LYS HE3 H 2.948 . 1 352 35 34 LYS CA C 56.421 . 1 353 35 34 LYS CB C 33.431 . 1 354 35 34 LYS CG C 25.716 . 1 355 35 34 LYS CD C 28.365 . 1 356 35 34 LYS CE C 42.110 . 1 357 35 34 LYS N N 121.866 . 1 358 36 35 ARG HA H 4.426 . 1 359 36 35 ARG HB2 H 1.816 . 2 360 36 35 ARG HB3 H 1.412 . 2 361 36 35 ARG HG2 H 1.310 . 2 362 36 35 ARG HG3 H 1.125 . 2 363 36 35 ARG HD2 H 3.061 . 2 364 36 35 ARG HD3 H 2.903 . 2 365 36 35 ARG HE H 6.974 . 1 366 36 35 ARG C C 174.603 . 1 367 36 35 ARG CA C 55.522 . 1 368 36 35 ARG CB C 31.133 . 1 369 36 35 ARG CG C 28.552 . 1 370 36 35 ARG CD C 43.118 . 1 371 36 35 ARG NE N 84.719 . 1 372 37 36 ASP H H 7.852 . 1 373 37 36 ASP HA H 4.689 . 1 374 37 36 ASP HB2 H 2.706 . 2 375 37 36 ASP HB3 H 2.393 . 2 376 37 36 ASP C C 175.575 . 1 377 37 36 ASP CA C 53.667 . 1 378 37 36 ASP CB C 42.551 . 1 379 37 36 ASP N N 120.655 . 1 380 38 37 PHE H H 8.594 . 1 381 38 37 PHE HA H 4.679 . 1 382 38 37 PHE HB2 H 3.377 . 2 383 38 37 PHE HB3 H 2.983 . 2 384 38 37 PHE HD1 H 7.352 . 1 385 38 37 PHE HD2 H 7.352 . 1 386 38 37 PHE HE1 H 7.406 . 1 387 38 37 PHE HE2 H 7.406 . 1 388 38 37 PHE C C 175.074 . 1 389 38 37 PHE CA C 58.216 . 1 390 38 37 PHE CB C 39.782 . 1 391 38 37 PHE CD1 C 131.944 . 2 392 38 37 PHE CE1 C 131.505 . 2 393 38 37 PHE N N 118.215 . 1 394 39 38 MET H H 8.266 . 1 395 39 38 MET HA H 4.762 . 1 396 39 38 MET HB2 H 1.894 . 2 397 39 38 MET HB3 H 1.778 . 2 398 39 38 MET HG2 H 2.200 . 2 399 39 38 MET HG3 H 2.094 . 2 400 39 38 MET HE H 1.278 . 1 401 39 38 MET C C 174.574 . 1 402 39 38 MET CA C 55.547 . 1 403 39 38 MET CB C 34.861 . 1 404 39 38 MET CG C 32.050 . 1 405 39 38 MET CE C 17.288 . 1 406 39 38 MET N N 120.955 . 1 407 40 39 LEU H H 9.162 . 1 408 40 39 LEU HA H 4.660 . 1 409 40 39 LEU HB2 H 1.561 . 2 410 40 39 LEU HB3 H 1.468 . 2 411 40 39 LEU HG H 1.426 . 1 412 40 39 LEU HD1 H 0.917 . 2 413 40 39 LEU HD2 H 0.871 . 2 414 40 39 LEU C C 175.561 . 1 415 40 39 LEU CA C 53.571 . 1 416 40 39 LEU CB C 45.105 . 1 417 40 39 LEU CG C 26.959 . 1 418 40 39 LEU CD1 C 24.623 . 2 419 40 39 LEU CD2 C 24.355 . 2 420 40 39 LEU N N 124.963 . 1 421 41 40 ILE H H 8.217 . 1 422 41 40 ILE HA H 4.977 . 1 423 41 40 ILE HB H 1.510 . 1 424 41 40 ILE HG12 H 1.413 . 9 425 41 40 ILE HG13 H 0.812 . 9 426 41 40 ILE HG2 H 0.296 . 1 427 41 40 ILE HD1 H 0.488 . 1 428 41 40 ILE C C 176.032 . 1 429 41 40 ILE CA C 60.063 . 1 430 41 40 ILE CB C 38.520 . 1 431 41 40 ILE CG1 C 27.363 . 2 432 41 40 ILE CG2 C 16.698 . 2 433 41 40 ILE CD1 C 12.852 . 1 434 41 40 ILE N N 123.813 . 1 435 42 41 THR H H 8.690 . 1 436 42 41 THR HA H 4.709 . 1 437 42 41 THR HB H 4.068 . 1 438 42 41 THR HG2 H 1.064 . 1 439 42 41 THR C C 172.415 . 1 440 42 41 THR CA C 59.369 . 1 441 42 41 THR CB C 70.156 . 1 442 42 41 THR CG2 C 20.780 . 1 443 42 41 THR N N 120.111 . 1 444 43 42 ASN H H 8.585 . 1 445 43 42 ASN HA H 4.393 . 1 446 43 42 ASN HB2 H 3.076 . 2 447 43 42 ASN HB3 H 2.791 . 2 448 43 42 ASN HD21 H 8.296 . 2 449 43 42 ASN HD22 H 6.755 . 2 450 43 42 ASN C C 174.188 . 1 451 43 42 ASN CA C 53.489 . 1 452 43 42 ASN CB C 36.977 . 1 453 43 42 ASN N N 117.511 . 1 454 43 42 ASN ND2 N 113.873 . 1 455 44 43 LYS H H 8.299 . 1 456 44 43 LYS HA H 5.129 . 1 457 44 43 LYS HB2 H 1.830 . 2 458 44 43 LYS HB3 H 1.359 . 2 459 44 43 LYS HG2 H 1.335 . 1 460 44 43 LYS HG3 H 1.335 . 1 461 44 43 LYS HD2 H 1.518 . 2 462 44 43 LYS HD3 H 1.368 . 2 463 44 43 LYS HE2 H 2.679 . 1 464 44 43 LYS HE3 H 2.679 . 1 465 44 43 LYS C C 177.205 . 1 466 44 43 LYS CA C 56.640 . 1 467 44 43 LYS CB C 32.680 . 1 468 44 43 LYS CG C 25.340 . 1 469 44 43 LYS CD C 29.499 . 1 470 44 43 LYS CE C 41.822 . 1 471 44 43 LYS N N 119.185 . 1 472 45 44 SER H H 9.451 . 1 473 45 44 SER HA H 4.802 . 1 474 45 44 SER HB2 H 3.799 . 2 475 45 44 SER HB3 H 3.725 . 2 476 45 44 SER C C 171.800 . 1 477 45 44 SER CA C 57.295 . 1 478 45 44 SER CB C 65.349 . 1 479 45 44 SER N N 122.818 . 1 480 46 45 LEU H H 8.357 . 1 481 46 45 LEU HA H 5.380 . 1 482 46 45 LEU HB2 H 1.765 . 2 483 46 45 LEU HB3 H 1.605 . 2 484 46 45 LEU HG H 1.548 . 1 485 46 45 LEU HD1 H 0.976 . 2 486 46 45 LEU HD2 H 0.915 . 2 487 46 45 LEU C C 175.675 . 1 488 46 45 LEU CA C 54.378 . 1 489 46 45 LEU CB C 44.722 . 1 490 46 45 LEU CG C 28.338 . 1 491 46 45 LEU CD1 C 24.906 . 2 492 46 45 LEU CD2 C 25.548 . 2 493 46 45 LEU N N 126.880 . 1 494 47 46 LYS H H 9.140 . 1 495 47 46 LYS HA H 4.778 . 1 496 47 46 LYS HB2 H 1.899 . 2 497 47 46 LYS HB3 H 1.813 . 2 498 47 46 LYS HG2 H 1.427 . 1 499 47 46 LYS HG3 H 1.427 . 1 500 47 46 LYS HD2 H 1.706 . 1 501 47 46 LYS HD3 H 1.706 . 1 502 47 46 LYS HE2 H 2.960 . 1 503 47 46 LYS HE3 H 2.960 . 1 504 47 46 LYS C C 174.159 . 1 505 47 46 LYS CA C 54.913 . 1 506 47 46 LYS CB C 35.522 . 1 507 47 46 LYS CG C 24.842 . 1 508 47 46 LYS CD C 29.181 . 1 509 47 46 LYS CE C 41.832 . 1 510 47 46 LYS N N 127.364 . 1 511 48 47 GLU H H 8.687 . 1 512 48 47 GLU HA H 5.325 . 1 513 48 47 GLU HB2 H 2.064 . 2 514 48 47 GLU HB3 H 1.955 . 2 515 48 47 GLU HG2 H 2.239 . 2 516 48 47 GLU HG3 H 2.127 . 2 517 48 47 GLU C C 175.331 . 1 518 48 47 GLU CA C 54.862 . 1 519 48 47 GLU CB C 31.773 . 1 520 48 47 GLU CG C 36.230 . 1 521 48 47 GLU N N 124.773 . 1 522 49 48 GLU H H 8.629 . 1 523 49 48 GLU HA H 4.575 . 1 524 49 48 GLU HB2 H 2.027 . 2 525 49 48 GLU HB3 H 1.858 . 2 526 49 48 GLU HG2 H 2.173 . 1 527 49 48 GLU HG3 H 2.173 . 1 528 49 48 GLU C C 175.689 . 1 529 49 48 GLU CA C 55.412 . 1 530 49 48 GLU CB C 32.481 . 1 531 49 48 GLU CG C 35.876 . 1 532 49 48 GLU N N 124.449 . 1 533 50 49 ASP H H 9.189 . 1 534 50 49 ASP HA H 4.352 . 1 535 50 49 ASP HB2 H 2.925 . 2 536 50 49 ASP HB3 H 2.612 . 2 537 50 49 ASP C C 175.789 . 1 538 50 49 ASP CA C 55.638 . 1 539 50 49 ASP CB C 39.999 . 1 540 50 49 ASP N N 125.166 . 1 541 51 50 GLY H H 8.722 . 1 542 51 50 GLY HA2 H 4.176 . 2 543 51 50 GLY HA3 H 3.714 . 2 544 51 50 GLY C C 173.459 . 1 545 51 50 GLY CA C 45.670 . 1 546 51 50 GLY N N 107.649 . 1 547 52 51 GLU H H 7.866 . 1 548 52 51 GLU HA H 4.888 . 1 549 52 51 GLU HB2 H 2.040 . 2 550 52 51 GLU HB3 H 1.945 . 2 551 52 51 GLU HG2 H 2.233 . 2 552 52 51 GLU HG3 H 2.056 . 2 553 52 51 GLU C C 174.603 . 1 554 52 51 GLU CA C 54.895 . 1 555 52 51 GLU CB C 32.041 . 1 556 52 51 GLU CG C 35.280 . 1 557 52 51 GLU N N 120.906 . 1 558 53 52 GLU H H 9.148 . 1 559 53 52 GLU HA H 5.174 . 1 560 53 52 GLU HB2 H 2.201 . 1 561 53 52 GLU HB3 H 2.201 . 1 562 53 52 GLU HG2 H 2.444 . 2 563 53 52 GLU HG3 H 2.259 . 2 564 53 52 GLU C C 175.160 . 1 565 53 52 GLU CA C 55.113 . 1 566 53 52 GLU CB C 32.085 . 1 567 53 52 GLU CG C 54.826 . 1 568 53 52 GLU N N 125.332 . 1 569 54 53 ILE H H 9.073 . 1 570 54 53 ILE HA H 4.984 . 1 571 54 53 ILE HB H 1.793 . 1 572 54 53 ILE HG12 H 1.545 . 9 573 54 53 ILE HG13 H 1.065 . 9 574 54 53 ILE HG2 H 0.959 . 1 575 54 53 ILE HD1 H 0.824 . 1 576 54 53 ILE C C 175.889 . 1 577 54 53 ILE CA C 60.902 . 1 578 54 53 ILE CB C 41.172 . 1 579 54 53 ILE CG1 C 27.688 . 2 580 54 53 ILE CG2 C 17.736 . 2 581 54 53 ILE CD1 C 14.489 . 1 582 54 53 ILE N N 123.945 . 1 583 55 54 VAL H H 9.849 . 1 584 55 54 VAL HA H 5.214 . 1 585 55 54 VAL HB H 2.398 . 1 586 55 54 VAL HG1 H 1.272 . 2 587 55 54 VAL HG2 H 1.230 . 2 588 55 54 VAL C C 175.275 . 1 589 55 54 VAL CA C 61.343 . 1 590 55 54 VAL CB C 34.942 . 1 591 55 54 VAL CG1 C 21.876 . 2 592 55 54 VAL CG2 C 20.936 . 2 593 55 54 VAL N N 131.479 . 1 594 56 55 THR H H 8.711 . 1 595 56 55 THR HA H 5.861 . 1 596 56 55 THR HB H 4.264 . 1 597 56 55 THR HG2 H 1.320 . 1 598 56 55 THR C C 173.888 . 1 599 56 55 THR CA C 58.486 . 1 600 56 55 THR CB C 72.615 . 1 601 56 55 THR CG2 C 21.827 . 1 602 56 55 THR N N 116.948 . 1 603 57 56 TYR H H 8.112 . 1 604 57 56 TYR HA H 4.725 . 1 605 57 56 TYR HB2 H 3.140 . 2 606 57 56 TYR HB3 H 2.792 . 2 607 57 56 TYR HD1 H 6.294 . 1 608 57 56 TYR HD2 H 6.294 . 1 609 57 56 TYR HE1 H 6.787 . 1 610 57 56 TYR HE2 H 6.787 . 1 611 57 56 TYR C C 172.043 . 1 612 57 56 TYR CA C 56.891 . 1 613 57 56 TYR CB C 38.039 . 1 614 57 56 TYR CD1 C 133.536 . 2 615 57 56 TYR CE1 C 117.424 . 2 616 57 56 TYR N N 113.629 . 1 617 58 57 ASP H H 8.910 . 1 618 58 57 ASP HA H 5.480 . 1 619 58 57 ASP HB2 H 2.483 . 2 620 58 57 ASP HB3 H 2.349 . 2 621 58 57 ASP C C 175.275 . 1 622 58 57 ASP CA C 53.684 . 1 623 58 57 ASP CB C 43.237 . 1 624 58 57 ASP N N 118.021 . 1 625 59 58 HIS H H 8.890 . 1 626 59 58 HIS HA H 5.093 . 1 627 59 58 HIS HB2 H 3.299 . 2 628 59 58 HIS HB3 H 2.912 . 2 629 59 58 HIS HD2 H 6.906 . 2 630 59 58 HIS HE1 H 9.059 . 1 631 59 58 HIS C C 173.773 . 1 632 59 58 HIS CA C 54.069 . 1 633 59 58 HIS CB C 29.035 . 1 634 59 58 HIS CD2 C 129.657 . 1 635 59 58 HIS CE1 C 143.023 . 1 636 59 58 HIS N N 118.507 . 1 637 60 59 LEU H H 9.451 . 1 638 60 59 LEU HA H 5.218 . 1 639 60 59 LEU HB2 H 1.395 . 2 640 60 59 LEU HB3 H 1.335 . 2 641 60 59 LEU HG H 1.479 . 1 642 60 59 LEU HD1 H 0.715 . 2 643 60 59 LEU HD2 H 0.692 . 2 644 60 59 LEU C C 175.827 . 1 645 60 59 LEU CA C 53.084 . 1 646 60 59 LEU CB C 47.085 . 1 647 60 59 LEU CG C 27.891 . 1 648 60 59 LEU CD1 C 25.818 . 2 649 60 59 LEU CD2 C 25.701 . 2 650 60 59 LEU N N 126.425 . 1 651 61 60 CYS H H 8.927 . 1 652 61 60 CYS HA H 4.592 . 1 653 61 60 CYS HB2 H 3.359 . 2 654 61 60 CYS HB3 H 3.217 . 2 655 61 60 CYS C C 177.734 . 1 656 61 60 CYS CA C 59.059 . 1 657 61 60 CYS CB C 31.277 . 1 658 61 60 CYS N N 123.662 . 1 659 62 61 LYS H H 9.386 . 1 660 62 61 LYS HA H 3.952 . 1 661 62 61 LYS HB2 H 1.950 . 2 662 62 61 LYS HB3 H 1.868 . 2 663 62 61 LYS HG2 H 1.644 . 2 664 62 61 LYS HG3 H 1.484 . 2 665 62 61 LYS HD2 H 1.700 . 2 666 62 61 LYS HD3 H 1.646 . 2 667 62 61 LYS HE2 H 2.972 . 1 668 62 61 LYS HE3 H 2.972 . 1 669 62 61 LYS C C 176.004 . 1 670 62 61 LYS CA C 58.784 . 1 671 62 61 LYS CB C 33.517 . 1 672 62 61 LYS CG C 25.196 . 1 673 62 61 LYS CD C 29.735 . 1 674 62 61 LYS CE C 41.815 . 1 675 62 61 LYS N N 131.422 . 1 676 63 62 ASN H H 8.910 . 1 677 63 62 ASN HA H 4.551 . 1 678 63 62 ASN HB2 H 3.090 . 2 679 63 62 ASN HB3 H 2.532 . 2 680 63 62 ASN HD21 H 8.457 . 2 681 63 62 ASN HD22 H 7.689 . 2 682 63 62 ASN C C 175.622 . 1 683 63 62 ASN CA C 56.106 . 1 684 63 62 ASN CB C 40.074 . 1 685 63 62 ASN N N 118.043 . 1 686 63 62 ASN ND2 N 120.371 . 1 687 64 63 CYS H H 8.565 . 1 688 64 63 CYS HA H 4.898 . 1 689 64 63 CYS HB2 H 3.294 . 2 690 64 63 CYS HB3 H 2.459 . 2 691 64 63 CYS C C 176.204 . 1 692 64 63 CYS CA C 58.837 . 1 693 64 63 CYS CB C 33.016 . 1 694 64 63 CYS N N 118.059 . 1 695 65 64 HIS H H 8.248 . 1 696 65 64 HIS HA H 4.444 . 1 697 65 64 HIS HB2 H 3.695 . 2 698 65 64 HIS HB3 H 3.491 . 2 699 65 64 HIS HD2 H 7.142 . 2 700 65 64 HIS HE1 H 8.322 . 1 701 65 64 HIS C C 173.130 . 1 702 65 64 HIS CA C 57.419 . 1 703 65 64 HIS CB C 26.015 . 1 704 65 64 HIS CD2 C 118.024 . 1 705 65 64 HIS CE1 C 136.494 . 1 706 65 64 HIS N N 117.272 . 1 707 66 65 HIS H H 8.950 . 1 708 66 65 HIS HA H 4.483 . 1 709 66 65 HIS HB2 H 3.279 . 1 710 66 65 HIS HB3 H 3.279 . 1 711 66 65 HIS HD2 H 7.227 . 2 712 66 65 HIS HE1 H 7.843 . 1 713 66 65 HIS C C 174.245 . 1 714 66 65 HIS CA C 57.193 . 1 715 66 65 HIS CB C 30.831 . 1 716 66 65 HIS CD2 C 129.790 . 1 717 66 65 HIS CE1 C 138.664 . 1 718 66 65 HIS N N 122.024 . 1 719 67 66 VAL H H 8.207 . 1 720 67 66 VAL HA H 3.883 . 1 721 67 66 VAL HB H 1.869 . 1 722 67 66 VAL HG1 H 0.915 . 2 723 67 66 VAL HG2 H 0.662 . 2 724 67 66 VAL C C 174.431 . 1 725 67 66 VAL CA C 62.982 . 1 726 67 66 VAL CB C 30.585 . 1 727 67 66 VAL CG1 C 21.001 . 2 728 67 66 VAL CG2 C 20.799 . 2 729 67 66 VAL N N 126.991 . 1 730 68 67 ILE H H 8.688 . 1 731 68 67 ILE HA H 3.686 . 1 732 68 67 ILE HB H 1.366 . 1 733 68 67 ILE HG12 H 1.865 . 1 734 68 67 ILE HG13 H 1.865 . 1 735 68 67 ILE HG2 H 0.767 . 1 736 68 67 ILE HD1 H 0.576 . 1 737 68 67 ILE C C 175.947 . 1 738 68 67 ILE CA C 63.906 . 1 739 68 67 ILE CB C 39.758 . 1 740 68 67 ILE CG1 C 28.535 . 2 741 68 67 ILE CG2 C 16.723 . 2 742 68 67 ILE CD1 C 16.074 . 1 743 68 67 ILE N N 132.587 . 1 744 69 68 ALA H H 7.433 . 1 745 69 68 ALA HA H 4.491 . 1 746 69 68 ALA HB H 1.691 . 1 747 69 68 ALA C C 174.102 . 1 748 69 68 ALA CA C 51.937 . 1 749 69 68 ALA CB C 25.953 . 1 750 69 68 ALA N N 112.644 . 1 751 70 69 ARG H H 8.266 . 1 752 70 69 ARG HA H 5.139 . 1 753 70 69 ARG HB2 H 1.951 . 2 754 70 69 ARG HB3 H 1.807 . 2 755 70 69 ARG HG2 H 1.616 . 1 756 70 69 ARG HG3 H 1.616 . 1 757 70 69 ARG HD2 H 3.211 . 1 758 70 69 ARG HD3 H 3.211 . 1 759 70 69 ARG HE H 7.920 . 1 760 70 69 ARG C C 173.945 . 1 761 70 69 ARG CA C 55.534 . 1 762 70 69 ARG CB C 30.883 . 1 763 70 69 ARG CG C 27.164 . 1 764 70 69 ARG CD C 43.187 . 1 765 70 69 ARG N N 121.806 . 1 766 70 69 ARG NE N 86.230 . 1 767 71 70 HIS H H 9.767 . 1 768 71 70 HIS HA H 4.433 . 1 769 71 70 HIS HB2 H 2.467 . 2 770 71 70 HIS HB3 H 1.755 . 2 771 71 70 HIS HD2 H 6.125 . 2 772 71 70 HIS HE1 H 8.034 . 1 773 71 70 HIS C C 174.131 . 1 774 71 70 HIS CA C 56.542 . 1 775 71 70 HIS CB C 33.782 . 1 776 71 70 HIS CD2 C 118.570 . 1 777 71 70 HIS CE1 C 139.749 . 1 778 71 70 HIS N N 132.080 . 1 779 72 71 GLU H H 7.696 . 1 780 72 71 GLU HA H 5.354 . 1 781 72 71 GLU HB2 H 2.148 . 1 782 72 71 GLU HB3 H 2.148 . 1 783 72 71 GLU HG2 H 2.156 . 2 784 72 71 GLU HG3 H 2.034 . 2 785 72 71 GLU C C 173.659 . 1 786 72 71 GLU CA C 55.463 . 1 787 72 71 GLU CB C 33.395 . 1 788 72 71 GLU CG C 37.165 . 1 789 72 71 GLU N N 126.075 . 1 790 73 72 TYR H H 9.511 . 1 791 73 72 TYR HA H 5.571 . 1 792 73 72 TYR HB2 H 3.301 . 2 793 73 72 TYR HB3 H 2.981 . 2 794 73 72 TYR HD1 H 6.934 . 1 795 73 72 TYR HD2 H 6.934 . 1 796 73 72 TYR HE1 H 6.745 . 1 797 73 72 TYR HE2 H 6.745 . 1 798 73 72 TYR C C 173.759 . 1 799 73 72 TYR CA C 55.869 . 1 800 73 72 TYR CB C 41.999 . 1 801 73 72 TYR CD1 C 133.724 . 2 802 73 72 TYR CE1 C 117.556 . 2 803 73 72 TYR N N 130.652 . 1 804 74 73 THR H H 8.460 . 1 805 74 73 THR HA H 5.527 . 1 806 74 73 THR HB H 4.115 . 1 807 74 73 THR HG2 H 1.072 . 1 808 74 73 THR C C 171.257 . 1 809 74 73 THR CA C 59.637 . 1 810 74 73 THR CB C 72.222 . 1 811 74 73 THR CG2 C 20.878 . 1 812 74 73 THR N N 118.556 . 1 813 75 74 PHE H H 8.609 . 1 814 75 74 PHE HA H 5.295 . 1 815 75 74 PHE HB2 H 3.181 . 2 816 75 74 PHE HB3 H 2.796 . 2 817 75 74 PHE HD1 H 6.654 . 1 818 75 74 PHE HD2 H 6.654 . 1 819 75 74 PHE HE1 H 7.031 . 1 820 75 74 PHE HE2 H 7.031 . 1 821 75 74 PHE HZ H 7.113 . 1 822 75 74 PHE C C 173.974 . 1 823 75 74 PHE CA C 55.123 . 1 824 75 74 PHE CB C 42.555 . 1 825 75 74 PHE CD1 C 131.834 . 2 826 75 74 PHE CE1 C 130.754 . 2 827 75 74 PHE CZ C 129.091 . 1 828 75 74 PHE N N 120.385 . 1 829 76 75 SER H H 8.561 . 1 830 76 75 SER HA H 4.725 . 1 831 76 75 SER HB2 H 3.641 . 2 832 76 75 SER HB3 H 3.531 . 2 833 76 75 SER C C 171.772 . 1 834 76 75 SER CA C 56.581 . 1 835 76 75 SER CB C 65.724 . 1 836 76 75 SER N N 122.140 . 1 837 77 76 ILE H H 8.172 . 1 838 77 76 ILE HA H 4.310 . 1 839 77 76 ILE HB H 1.648 . 1 840 77 76 ILE HG12 H 1.298 . 9 841 77 76 ILE HG13 H 0.866 . 9 842 77 76 ILE HG2 H 0.865 . 1 843 77 76 ILE HD1 H 0.893 . 1 844 77 76 ILE C C 175.403 . 1 845 77 76 ILE CA C 60.872 . 1 846 77 76 ILE CB C 39.118 . 1 847 77 76 ILE CG1 C 28.234 . 2 848 77 76 ILE CG2 C 17.652 . 2 849 77 76 ILE CD1 C 13.526 . 1 850 77 76 ILE N N 122.917 . 1 851 78 77 MET H H 8.502 . 1 852 78 77 MET HA H 4.685 . 1 853 78 77 MET HB2 H 2.069 . 2 854 78 77 MET HB3 H 1.675 . 2 855 78 77 MET HG2 H 2.406 . 1 856 78 77 MET HG3 H 2.406 . 1 857 78 77 MET HE H 2.008 . 1 858 78 77 MET C C 174.931 . 1 859 78 77 MET CA C 53.897 . 1 860 78 77 MET CB C 33.325 . 1 861 78 77 MET CG C 32.406 . 1 862 78 77 MET CE C 17.299 . 1 863 78 77 MET N N 128.203 . 1 864 79 78 ASP H H 8.544 . 1 865 79 78 ASP HA H 4.211 . 1 866 79 78 ASP HB2 H 2.808 . 1 867 79 78 ASP HB3 H 2.808 . 1 868 79 78 ASP C C 176.261 . 1 869 79 78 ASP CA C 57.111 . 1 870 79 78 ASP CB C 40.018 . 1 871 79 78 ASP N N 121.747 . 1 872 80 79 GLU H H 8.374 . 1 873 80 79 GLU HA H 4.278 . 1 874 80 79 GLU HB2 H 2.048 . 2 875 80 79 GLU HB3 H 1.879 . 2 876 80 79 GLU HG2 H 2.074 . 2 877 80 79 GLU HG3 H 1.963 . 2 878 80 79 GLU C C 175.275 . 1 879 80 79 GLU CA C 56.664 . 1 880 80 79 GLU CB C 29.697 . 1 881 80 79 GLU CG C 36.479 . 1 882 80 79 GLU N N 115.799 . 1 883 81 80 PHE H H 7.630 . 1 884 81 80 PHE HA H 5.304 . 1 885 81 80 PHE HB2 H 3.072 . 2 886 81 80 PHE HB3 H 2.944 . 2 887 81 80 PHE HD1 H 7.119 . 1 888 81 80 PHE HD2 H 7.119 . 1 889 81 80 PHE HE1 H 7.369 . 1 890 81 80 PHE HE2 H 7.369 . 1 891 81 80 PHE HZ H 7.354 . 1 892 81 80 PHE C C 173.974 . 1 893 81 80 PHE CA C 56.736 . 1 894 81 80 PHE CB C 42.046 . 1 895 81 80 PHE CD1 C 132.316 . 2 896 81 80 PHE CE1 C 131.401 . 2 897 81 80 PHE CZ C 130.004 . 1 898 81 80 PHE N N 116.948 . 1 899 82 81 GLN H H 9.223 . 1 900 82 81 GLN HA H 4.937 . 1 901 82 81 GLN HB2 H 2.317 . 2 902 82 81 GLN HB3 H 2.062 . 2 903 82 81 GLN HG2 H 2.494 . 2 904 82 81 GLN HG3 H 2.354 . 2 905 82 81 GLN HE21 H 7.153 . 2 906 82 81 GLN HE22 H 7.077 . 2 907 82 81 GLN C C 174.488 . 1 908 82 81 GLN CA C 54.353 . 1 909 82 81 GLN CB C 31.319 . 1 910 82 81 GLN CG C 34.232 . 1 911 82 81 GLN N N 118.660 . 1 912 82 81 GLN NE2 N 110.492 . 1 913 83 82 GLU H H 8.935 . 1 914 83 82 GLU HA H 5.415 . 1 915 83 82 GLU HB2 H 1.935 . 2 916 83 82 GLU HB3 H 1.795 . 2 917 83 82 GLU HG2 H 2.254 . 2 918 83 82 GLU HG3 H 2.139 . 2 919 83 82 GLU C C 175.103 . 1 920 83 82 GLU CA C 54.723 . 1 921 83 82 GLU CB C 32.746 . 1 922 83 82 GLU CG C 35.066 . 1 923 83 82 GLU N N 122.459 . 1 924 84 83 TYR H H 9.375 . 1 925 84 83 TYR HA H 5.653 . 1 926 84 83 TYR HB2 H 2.961 . 1 927 84 83 TYR HB3 H 2.961 . 1 928 84 83 TYR HD1 H 7.265 . 1 929 84 83 TYR HD2 H 7.265 . 1 930 84 83 TYR HE1 H 6.664 . 1 931 84 83 TYR HE2 H 6.664 . 1 932 84 83 TYR C C 176.404 . 1 933 84 83 TYR CA C 55.972 . 1 934 84 83 TYR CB C 42.681 . 1 935 84 83 TYR CD1 C 133.570 . 2 936 84 83 TYR CE1 C 118.992 . 2 937 84 83 TYR N N 125.223 . 1 938 85 84 THR H H 8.791 . 1 939 85 84 THR HA H 5.145 . 1 940 85 84 THR HB H 4.271 . 1 941 85 84 THR HG2 H 1.139 . 1 942 85 84 THR C C 172.387 . 1 943 85 84 THR CA C 61.377 . 1 944 85 84 THR CB C 73.011 . 1 945 85 84 THR CG2 C 21.558 . 1 946 85 84 THR N N 111.879 . 1 947 86 85 MET H H 8.519 . 1 948 86 85 MET HA H 5.303 . 1 949 86 85 MET HB2 H 2.080 . 2 950 86 85 MET HB3 H 1.944 . 2 951 86 85 MET HG2 H 2.349 . 1 952 86 85 MET HG3 H 2.349 . 1 953 86 85 MET HE H 1.817 . 1 954 86 85 MET C C 173.630 . 1 955 86 85 MET CA C 54.998 . 1 956 86 85 MET CB C 38.833 . 1 957 86 85 MET CG C 30.746 . 1 958 86 85 MET CE C 15.711 . 1 959 86 85 MET N N 118.800 . 1 960 87 86 LEU H H 9.119 . 1 961 87 86 LEU HA H 4.861 . 1 962 87 86 LEU HB2 H 1.874 . 2 963 87 86 LEU HB3 H 1.492 . 2 964 87 86 LEU HG H 1.494 . 1 965 87 86 LEU HD1 H 0.876 . 2 966 87 86 LEU HD2 H 0.853 . 2 967 87 86 LEU C C 175.532 . 1 968 87 86 LEU CA C 55.337 . 1 969 87 86 LEU CB C 44.674 . 1 970 87 86 LEU CG C 27.571 . 1 971 87 86 LEU CD1 C 25.589 . 2 972 87 86 LEU CD2 C 24.243 . 2 973 87 86 LEU N N 128.623 . 1 974 88 87 CYS H H 8.679 . 1 975 88 87 CYS HA H 4.692 . 1 976 88 87 CYS HB2 H 2.791 . 2 977 88 87 CYS HB3 H 2.460 . 2 978 88 87 CYS C C 174.688 . 1 979 88 87 CYS CA C 58.837 . 1 980 88 87 CYS CB C 32.054 . 1 981 88 87 CYS N N 130.163 . 1 982 89 88 LEU H H 9.601 . 1 983 89 88 LEU HA H 2.246 . 1 984 89 88 LEU HB2 H 1.443 . 1 985 89 88 LEU HB3 H 1.443 . 1 986 89 88 LEU HG H 1.312 . 1 987 89 88 LEU HD1 H 0.817 . 2 988 89 88 LEU HD2 H 0.783 . 2 989 89 88 LEU C C 176.504 . 1 990 89 88 LEU CA C 59.056 . 1 991 89 88 LEU CB C 42.634 . 1 992 89 88 LEU CG C 26.747 . 1 993 89 88 LEU CD1 C 26.353 . 2 994 89 88 LEU CD2 C 25.749 . 2 995 89 88 LEU N N 135.067 . 1 996 90 89 LEU H H 7.585 . 1 997 90 89 LEU HA H 4.354 . 1 998 90 89 LEU HB2 H 1.652 . 2 999 90 89 LEU HB3 H 0.917 . 2 1000 90 89 LEU HG H 1.536 . 1 1001 90 89 LEU HD1 H 0.809 . 2 1002 90 89 LEU HD2 H -0.048 . 2 1003 90 89 LEU C C 177.877 . 1 1004 90 89 LEU CA C 56.818 . 1 1005 90 89 LEU CB C 43.701 . 1 1006 90 89 LEU CG C 27.261 . 1 1007 90 89 LEU CD1 C 23.665 . 2 1008 90 89 LEU CD2 C 25.761 . 2 1009 90 89 LEU N N 115.629 . 1 1010 91 90 CYS H H 9.255 . 1 1011 91 90 CYS HA H 4.567 . 1 1012 91 90 CYS HB2 H 3.097 . 2 1013 91 90 CYS HB3 H 2.888 . 2 1014 91 90 CYS C C 175.260 . 1 1015 91 90 CYS CA C 61.803 . 1 1016 91 90 CYS CB C 30.534 . 1 1017 91 90 CYS N N 116.966 . 1 1018 92 91 GLY H H 8.725 . 1 1019 92 91 GLY HA2 H 5.004 . 2 1020 92 91 GLY HA3 H 3.552 . 2 1021 92 91 GLY C C 172.086 . 1 1022 92 91 GLY CA C 44.575 . 1 1023 92 91 GLY N N 103.531 . 1 1024 93 92 LYS H H 8.168 . 1 1025 93 92 LYS HA H 5.318 . 1 1026 93 92 LYS HB2 H 1.754 . 2 1027 93 92 LYS HB3 H 1.524 . 2 1028 93 92 LYS HG2 H 1.531 . 2 1029 93 92 LYS HG3 H 1.428 . 2 1030 93 92 LYS HD2 H 1.611 . 1 1031 93 92 LYS HD3 H 1.611 . 1 1032 93 92 LYS HE2 H 2.896 . 1 1033 93 92 LYS HE3 H 2.896 . 1 1034 93 92 LYS C C 174.760 . 1 1035 93 92 LYS CA C 53.673 . 1 1036 93 92 LYS CB C 36.367 . 1 1037 93 92 LYS CG C 25.236 . 1 1038 93 92 LYS CD C 29.466 . 1 1039 93 92 LYS CE C 41.791 . 1 1040 93 92 LYS N N 119.229 . 1 1041 94 93 ALA H H 8.767 . 1 1042 94 93 ALA HA H 4.728 . 1 1043 94 93 ALA HB H 1.118 . 1 1044 94 93 ALA C C 175.246 . 1 1045 94 93 ALA CA C 51.399 . 1 1046 94 93 ALA CB C 26.673 . 1 1047 94 93 ALA N N 127.418 . 1 1048 95 94 GLU H H 7.771 . 1 1049 95 94 GLU HA H 5.104 . 1 1050 95 94 GLU HB2 H 2.162 . 2 1051 95 94 GLU HB3 H 2.060 . 2 1052 95 94 GLU HG2 H 2.233 . 1 1053 95 94 GLU HG3 H 2.233 . 1 1054 95 94 GLU C C 173.731 . 1 1055 95 94 GLU CA C 55.440 . 1 1056 95 94 GLU CB C 32.917 . 1 1057 95 94 GLU CG C 35.249 . 1 1058 95 94 GLU N N 115.801 . 1 1059 96 95 ASP H H 8.935 . 1 1060 96 95 ASP HA H 5.156 . 1 1061 96 95 ASP HB2 H 2.961 . 2 1062 96 95 ASP HB3 H 2.615 . 2 1063 96 95 ASP C C 174.760 . 1 1064 96 95 ASP CA C 53.961 . 1 1065 96 95 ASP CB C 45.072 . 1 1066 96 95 ASP N N 121.540 . 1 1067 97 96 THR H H 8.208 . 1 1068 97 96 THR HA H 5.421 . 1 1069 97 96 THR HB H 3.878 . 1 1070 97 96 THR HG2 H 1.062 . 1 1071 97 96 THR C C 173.673 . 1 1072 97 96 THR CA C 61.485 . 1 1073 97 96 THR CB C 71.253 . 1 1074 97 96 THR CG2 C 21.894 . 1 1075 97 96 THR N N 119.866 . 1 1076 98 97 ILE H H 9.373 . 1 1077 98 97 ILE HA H 4.660 . 1 1078 98 97 ILE HB H 2.051 . 1 1079 98 97 ILE HG12 H 1.621 . 9 1080 98 97 ILE HG13 H 1.289 . 9 1081 98 97 ILE HG2 H 1.068 . 1 1082 98 97 ILE HD1 H 0.990 . 1 1083 98 97 ILE C C 175.561 . 1 1084 98 97 ILE CA C 59.941 . 1 1085 98 97 ILE CB C 41.708 . 1 1086 98 97 ILE CG1 C 27.499 . 2 1087 98 97 ILE CG2 C 17.662 . 2 1088 98 97 ILE CD1 C 13.498 . 1 1089 98 97 ILE N N 125.974 . 1 1090 99 98 SER H H 8.894 . 1 1091 99 98 SER HA H 4.676 . 1 1092 99 98 SER HB2 H 3.886 . 1 1093 99 98 SER HB3 H 3.886 . 1 1094 99 98 SER C C 174.588 . 1 1095 99 98 SER CA C 58.587 . 1 1096 99 98 SER CB C 63.709 . 1 1097 99 98 SER N N 122.066 . 1 1098 100 99 ILE H H 8.045 . 1 1099 100 99 ILE HA H 4.239 . 1 1100 100 99 ILE HB H 1.793 . 1 1101 100 99 ILE HG12 H 1.360 . 9 1102 100 99 ILE HG13 H 1.028 . 9 1103 100 99 ILE HG2 H 0.877 . 1 1104 100 99 ILE HD1 H 0.814 . 1 1105 100 99 ILE C C 175.689 . 1 1106 100 99 ILE CA C 61.150 . 1 1107 100 99 ILE CB C 38.664 . 1 1108 100 99 ILE CG1 C 27.385 . 2 1109 100 99 ILE CG2 C 17.547 . 2 1110 100 99 ILE CD1 C 13.484 . 1 1111 100 99 ILE N N 123.517 . 1 1112 101 100 LEU H H 8.316 . 1 1113 101 100 LEU HA H 4.675 . 1 1114 101 100 LEU HB2 H 1.642 . 2 1115 101 100 LEU HB3 H 1.580 . 2 1116 101 100 LEU HG H 1.672 . 1 1117 101 100 LEU HD1 H 0.962 . 2 1118 101 100 LEU HD2 H 0.925 . 2 1119 101 100 LEU C C 175.202 . 1 1120 101 100 LEU CA C 52.645 . 1 1121 101 100 LEU CB C 41.615 . 1 1122 101 100 LEU CG C 27.031 . 1 1123 101 100 LEU CD1 C 25.184 . 2 1124 101 100 LEU CD2 C 23.332 . 2 1125 101 100 LEU N N 127.125 . 1 1126 102 101 PRO HA H 4.433 . 1 1127 102 101 PRO HB2 H 2.302 . 2 1128 102 101 PRO HB3 H 1.942 . 2 1129 102 101 PRO HG2 H 2.041 . 1 1130 102 101 PRO HG3 H 2.041 . 1 1131 102 101 PRO HD2 H 3.879 . 2 1132 102 101 PRO HD3 H 3.688 . 2 1133 102 101 PRO C C 176.547 . 1 1134 102 101 PRO CA C 63.065 . 1 1135 102 101 PRO CB C 32.111 . 1 1136 102 101 PRO CG C 27.315 . 1 1137 102 101 PRO CD C 50.603 . 1 1138 103 102 ASP H H 8.318 . 1 1139 103 102 ASP HA H 4.557 . 1 1140 103 102 ASP HB2 H 2.666 . 2 1141 103 102 ASP HB3 H 2.581 . 2 1142 103 102 ASP C C 175.589 . 1 1143 103 102 ASP CA C 54.100 . 1 1144 103 102 ASP CB C 41.127 . 1 1145 103 102 ASP N N 120.044 . 1 1146 104 103 ASP H H 8.143 . 1 1147 104 103 ASP HA H 4.881 . 1 1148 104 103 ASP HB2 H 2.771 . 2 1149 104 103 ASP HB3 H 2.552 . 2 1150 104 103 ASP C C 174.526 . 1 1151 104 103 ASP CA C 52.135 . 1 1152 104 103 ASP CB C 41.293 . 1 1153 104 103 ASP N N 121.836 . 1 1154 105 104 PRO HA H 4.476 . 1 1155 105 104 PRO HB2 H 2.302 . 2 1156 105 104 PRO HB3 H 2.003 . 2 1157 105 104 PRO HG2 H 2.039 . 1 1158 105 104 PRO HG3 H 2.039 . 1 1159 105 104 PRO HD2 H 3.859 . 2 1160 105 104 PRO HD3 H 3.808 . 2 1161 105 104 PRO C C 177.005 . 1 1162 105 104 PRO CA C 63.356 . 1 1163 105 104 PRO CB C 32.112 . 1 1164 105 104 PRO CG C 27.141 . 1 1165 105 104 PRO CD C 50.704 . 1 1166 106 105 ARG H H 8.454 . 1 1167 106 105 ARG HA H 4.310 . 1 1168 106 105 ARG HB2 H 1.930 . 2 1169 106 105 ARG HB3 H 1.831 . 2 1170 106 105 ARG HG2 H 1.696 . 1 1171 106 105 ARG HG3 H 1.696 . 1 1172 106 105 ARG HD2 H 3.231 . 1 1173 106 105 ARG HD3 H 3.231 . 1 1174 106 105 ARG HE H 7.390 . 1 1175 106 105 ARG C C 175.603 . 1 1176 106 105 ARG CA C 56.145 . 1 1177 106 105 ARG CB C 30.413 . 1 1178 106 105 ARG CG C 27.031 . 1 1179 106 105 ARG CD C 43.214 . 1 1180 106 105 ARG N N 121.421 . 1 1181 106 105 ARG NE N 85.123 . 1 1182 107 106 GLN H H 7.883 . 1 1183 107 106 GLN HA H 4.173 . 1 1184 107 106 GLN HB2 H 2.140 . 2 1185 107 106 GLN HB3 H 1.941 . 2 1186 107 106 GLN HG2 H 2.315 . 1 1187 107 106 GLN HG3 H 2.315 . 1 1188 107 106 GLN HE21 H 7.556 . 2 1189 107 106 GLN HE22 H 6.816 . 2 1190 107 106 GLN C C 174.281 . 1 1191 107 106 GLN CA C 57.259 . 1 1192 107 106 GLN CB C 30.438 . 1 1193 107 106 GLN CG C 34.221 . 1 1194 107 106 GLN N N 125.813 . 1 1195 107 106 GLN NE2 N 112.446 . 1 stop_ save_