data_17305 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Three-dimensional structure of the N-terminal effector PYRIN domain of NLRP12 ; _BMRB_accession_number 17305 _BMRB_flat_file_name bmr17305.str _Entry_type original _Submission_date 2010-11-17 _Accession_date 2010-11-17 _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 Pinheiro Anderson S. . 2 Peti Wolfgang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 584 "13C chemical shifts" 402 "15N chemical shifts" 102 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-21 update BMRB 'update residue 60 one letter code' 2011-12-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Three-dimensional structure of the effector PYRIN domain of NLRP12' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21978668 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pinheiro Anderson S. . 2 Eibl Clarissa . . 3 Ekman-Vural Zeynep . . 4 Schwarzenbacher Robert . . 5 Peti Wolfgang . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 413 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 790 _Page_last 803 _Year 2011 _Details . loop_ _Keyword apoptosis 'innate immunity' 'NLRP12 PYD' NMR 'resonance assignment' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NLRP12 PYD monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NLRP12 PYD monomer' $NLRP12_PYD 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_NLRP12_PYD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NLRP12_PYD _Molecular_mass 11722.509 _Mol_thiol_state 'all free' loop_ _Biological_function inflammation 'innate immunity' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; GHMLRTAGRDGLCRLSTYLE ELEAVELKKFKLYLGTATEL GEGKIPWGSMEKAGPLEMAQ LLITHFGPEEAWRLALSTFE RINRKDLWERGQREDLVRDT VE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 MET 4 LEU 5 ARG 6 THR 7 ALA 8 GLY 9 ARG 10 ASP 11 GLY 12 LEU 13 CYS 14 ARG 15 LEU 16 SER 17 THR 18 TYR 19 LEU 20 GLU 21 GLU 22 LEU 23 GLU 24 ALA 25 VAL 26 GLU 27 LEU 28 LYS 29 LYS 30 PHE 31 LYS 32 LEU 33 TYR 34 LEU 35 GLY 36 THR 37 ALA 38 THR 39 GLU 40 LEU 41 GLY 42 GLU 43 GLY 44 LYS 45 ILE 46 PRO 47 TRP 48 GLY 49 SER 50 MET 51 GLU 52 LYS 53 ALA 54 GLY 55 PRO 56 LEU 57 GLU 58 MET 59 ALA 60 GLN 61 LEU 62 LEU 63 ILE 64 THR 65 HIS 66 PHE 67 GLY 68 PRO 69 GLU 70 GLU 71 ALA 72 TRP 73 ARG 74 LEU 75 ALA 76 LEU 77 SER 78 THR 79 PHE 80 GLU 81 ARG 82 ILE 83 ASN 84 ARG 85 LYS 86 ASP 87 LEU 88 TRP 89 GLU 90 ARG 91 GLY 92 GLN 93 ARG 94 GLU 95 ASP 96 LEU 97 VAL 98 ARG 99 ASP 100 THR 101 VAL 102 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 2L6A "Three-Dimensional Structure Of The N-Terminal Effector Pyrin Domain Of Nlrp12" 100.00 102 99.02 100.00 3.51e-65 DBJ BAF83461 "unnamed protein product [Homo sapiens]" 96.08 1053 98.98 100.00 1.22e-56 DBJ BAG53059 "unnamed protein product [Homo sapiens]" 96.08 1004 98.98 100.00 7.08e-57 GB AAH28069 "NLR family, pyrin domain containing 12 [Homo sapiens]" 96.08 1061 98.98 100.00 1.46e-56 GB AAM18227 "PYRIN-containing APAF1-like Protein 7 [Homo sapiens]" 96.08 1061 98.98 100.00 1.46e-56 GB AAM75142 "monarch-1 [Homo sapiens]" 96.08 1062 98.98 100.00 1.43e-56 GB AAM75143 "monarch-1 splice form II [Homo sapiens]" 96.08 1006 98.98 100.00 1.05e-56 GB AAM75144 "monarch-1 splice form III [Homo sapiens]" 96.08 950 98.98 100.00 6.56e-57 REF NP_001264055 "NACHT, LRR and PYD domains-containing protein 12 isoform 3 [Homo sapiens]" 96.08 1062 98.98 100.00 1.43e-56 REF NP_001264058 "NACHT, LRR and PYD domains-containing protein 12 isoform 4 [Homo sapiens]" 96.08 1004 98.98 100.00 6.41e-57 REF NP_653288 "NACHT, LRR and PYD domains-containing protein 12 isoform 2 [Homo sapiens]" 96.08 1061 98.98 100.00 1.46e-56 REF XP_003830191 "PREDICTED: NACHT, LRR and PYD domains-containing protein 12 isoform X2 [Pan paniscus]" 96.08 1061 97.96 98.98 7.57e-56 REF XP_003830193 "PREDICTED: NACHT, LRR and PYD domains-containing protein 12 isoform X3 [Pan paniscus]" 96.08 1004 97.96 98.98 3.73e-56 SP P59046 "RecName: Full=NACHT, LRR and PYD domains-containing protein 12; AltName: Full=Monarch-1; AltName: Full=PYRIN-containing APAF1-l" 96.08 1061 98.98 100.00 1.46e-56 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NLRP12_PYD 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 $NLRP12_PYD 'recombinant technology' . Escherichia coli 'BL21 (DE3)-RIL' 'pHis parallel STOP' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N-labeled NLRP12 PYD sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NLRP12_PYD 600 uM '[U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 500 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '13C/15N-labeled NLRP12 PYD sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NLRP12_PYD 600 uM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 500 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'Unlabeled NLRP12 PYD sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NLRP12_PYD 600 uM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 500 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_2 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ save_2D_1H-1H_COSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_3 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' 0.5 . M pH 6.5 . 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 '2D 1H-15N HSQC' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'NLRP12 PYD monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 MET H H 8.393 0.05 1 2 3 3 MET HA H 4.335 0.05 1 3 3 3 MET HB2 H 1.898 0.05 2 4 3 3 MET HB3 H 1.898 0.05 2 5 3 3 MET CA C 55.477 0.30 1 6 3 3 MET CB C 32.802 0.30 1 7 3 3 MET CG C 31.952 0.30 1 8 3 3 MET N N 122.287 0.10 1 9 4 4 LEU H H 8.322 0.05 1 10 4 4 LEU HA H 4.243 0.05 1 11 4 4 LEU HB2 H 1.501 0.05 2 12 4 4 LEU HB3 H 1.501 0.05 2 13 4 4 LEU HG H 1.444 0.05 1 14 4 4 LEU HD1 H 0.805 0.05 2 15 4 4 LEU HD2 H 0.766 0.05 2 16 4 4 LEU CA C 55.213 0.30 1 17 4 4 LEU CB C 42.077 0.30 1 18 4 4 LEU CG C 26.866 0.30 1 19 4 4 LEU CD1 C 24.792 0.30 1 20 4 4 LEU CD2 C 23.639 0.30 1 21 4 4 LEU N N 124.588 0.10 1 22 5 5 ARG H H 7.800 0.05 1 23 5 5 ARG C C 178.074 0.30 1 24 5 5 ARG CA C 57.203 0.30 1 25 5 5 ARG CB C 31.442 0.30 1 26 5 5 ARG N N 126.774 0.10 1 27 6 6 THR HA H 4.290 0.05 1 28 6 6 THR HB H 4.076 0.05 1 29 6 6 THR HG2 H 1.083 0.05 1 30 6 6 THR CA C 61.666 0.30 1 31 6 6 THR CB C 69.502 0.30 1 32 6 6 THR CG2 C 21.565 0.30 1 33 7 7 ALA H H 8.243 0.05 1 34 7 7 ALA HA H 4.248 0.05 1 35 7 7 ALA HB H 1.306 0.05 1 36 7 7 ALA CA C 52.678 0.30 1 37 7 7 ALA CB C 19.030 0.30 1 38 7 7 ALA N N 125.815 0.10 1 39 8 8 GLY H H 8.474 0.05 1 40 8 8 GLY HA2 H 3.839 0.05 2 41 8 8 GLY HA3 H 3.839 0.05 2 42 8 8 GLY C C 171.734 0.30 1 43 8 8 GLY CA C 45.534 0.30 1 44 8 8 GLY N N 108.723 0.10 1 45 9 9 ARG H H 8.153 0.05 1 46 9 9 ARG HA H 4.230 0.05 1 47 9 9 ARG HB2 H 1.764 0.05 1 48 9 9 ARG HB3 H 1.647 0.05 1 49 9 9 ARG HG2 H 1.495 0.05 2 50 9 9 ARG HG3 H 1.495 0.05 2 51 9 9 ARG HD2 H 3.051 0.05 2 52 9 9 ARG HD3 H 3.051 0.05 2 53 9 9 ARG C C 173.663 0.30 1 54 9 9 ARG CA C 56.366 0.30 1 55 9 9 ARG CB C 30.323 0.30 1 56 9 9 ARG CG C 27.096 0.30 1 57 9 9 ARG CD C 43.229 0.30 1 58 9 9 ARG N N 120.646 0.10 1 59 10 10 ASP H H 8.235 0.05 1 60 10 10 ASP HA H 4.360 0.05 1 61 10 10 ASP HB2 H 2.615 0.05 1 62 10 10 ASP HB3 H 2.584 0.05 1 63 10 10 ASP C C 174.136 0.30 1 64 10 10 ASP CA C 54.752 0.30 1 65 10 10 ASP CB C 40.924 0.30 1 66 10 10 ASP N N 120.753 0.10 1 67 11 11 GLY H H 8.320 0.05 1 68 11 11 GLY HA2 H 3.772 0.05 1 69 11 11 GLY HA3 H 3.622 0.05 1 70 11 11 GLY C C 172.774 0.30 1 71 11 11 GLY CA C 46.456 0.30 1 72 11 11 GLY N N 108.394 0.10 1 73 12 12 LEU H H 7.966 0.05 1 74 12 12 LEU HA H 3.868 0.05 1 75 12 12 LEU HB2 H 1.741 0.05 1 76 12 12 LEU HB3 H 1.454 0.05 1 77 12 12 LEU HD1 H 0.816 0.05 2 78 12 12 LEU HD2 H 0.783 0.05 2 79 12 12 LEU C C 175.568 0.30 1 80 12 12 LEU CA C 58.209 0.30 1 81 12 12 LEU CB C 41.616 0.30 1 82 12 12 LEU CG C 24.421 0.30 1 83 12 12 LEU CD1 C 25.253 0.30 1 84 12 12 LEU CD2 C 24.100 0.30 1 85 12 12 LEU N N 123.328 0.10 1 86 13 13 CYS H H 8.345 0.05 1 87 13 13 CYS HA H 4.006 0.05 1 88 13 13 CYS HB2 H 2.850 0.05 2 89 13 13 CYS HB3 H 2.850 0.05 2 90 13 13 CYS C C 174.448 0.30 1 91 13 13 CYS CA C 62.127 0.30 1 92 13 13 CYS CB C 26.405 0.30 1 93 13 13 CYS N N 119.000 0.10 1 94 14 14 ARG H H 8.187 0.05 1 95 14 14 ARG HA H 3.982 0.05 1 96 14 14 ARG HB2 H 1.563 0.05 1 97 14 14 ARG HB3 H 1.449 0.05 1 98 14 14 ARG HG2 H 1.008 0.05 2 99 14 14 ARG HG3 H 1.008 0.05 2 100 14 14 ARG HD2 H 2.345 0.05 1 101 14 14 ARG HD3 H 2.170 0.05 1 102 14 14 ARG C C 174.818 0.30 1 103 14 14 ARG CA C 59.592 0.30 1 104 14 14 ARG CB C 29.862 0.30 1 105 14 14 ARG CG C 26.405 0.30 1 106 14 14 ARG CD C 42.999 0.30 1 107 14 14 ARG N N 122.119 0.10 1 108 15 15 LEU H H 7.970 0.05 1 109 15 15 LEU HA H 4.211 0.05 1 110 15 15 LEU HB2 H 1.764 0.05 1 111 15 15 LEU HB3 H 1.764 0.05 1 112 15 15 LEU HG H 1.595 0.05 1 113 15 15 LEU HD1 H 0.929 0.05 2 114 15 15 LEU HD2 H 0.908 0.05 2 115 15 15 LEU C C 175.741 0.30 1 116 15 15 LEU CA C 58.670 0.30 1 117 15 15 LEU CB C 42.077 0.30 1 118 15 15 LEU CG C 27.557 0.30 1 119 15 15 LEU CD1 C 26.635 0.30 1 120 15 15 LEU CD2 C 23.639 0.30 1 121 15 15 LEU N N 118.344 0.10 1 122 16 16 SER H H 8.463 0.05 1 123 16 16 SER CA C 62.787 0.30 1 124 16 16 SER N N 113.320 0.10 1 125 17 17 THR H H 7.998 0.05 1 126 17 17 THR HA H 3.893 0.05 1 127 17 17 THR HB H 4.372 0.05 1 128 17 17 THR HG2 H 1.112 0.05 1 129 17 17 THR C C 174.159 0.30 1 130 17 17 THR CA C 66.967 0.30 1 131 17 17 THR CB C 68.811 0.30 1 132 17 17 THR CG2 C 21.335 0.30 1 133 17 17 THR N N 116.820 0.10 1 134 18 18 TYR H H 8.029 0.05 1 135 18 18 TYR HA H 3.848 0.05 1 136 18 18 TYR HB2 H 3.364 0.05 1 137 18 18 TYR HB3 H 2.781 0.05 1 138 18 18 TYR HD1 H 7.304 0.05 1 139 18 18 TYR HD2 H 7.304 0.05 1 140 18 18 TYR HE1 H 6.876 0.05 1 141 18 18 TYR HE2 H 6.876 0.05 1 142 18 18 TYR C C 175.360 0.30 1 143 18 18 TYR CA C 63.049 0.30 1 144 18 18 TYR CB C 38.389 0.30 1 145 18 18 TYR N N 120.971 0.10 1 146 19 19 LEU H H 8.119 0.05 1 147 19 19 LEU HA H 3.874 0.05 1 148 19 19 LEU HB2 H 1.913 0.05 1 149 19 19 LEU HB3 H 0.921 0.05 1 150 19 19 LEU HG H 1.763 0.05 1 151 19 19 LEU HD1 H 0.636 0.05 2 152 19 19 LEU HD2 H 0.092 0.05 2 153 19 19 LEU C C 177.277 0.30 1 154 19 19 LEU CA C 57.748 0.30 1 155 19 19 LEU CB C 41.385 0.30 1 156 19 19 LEU CG C 26.635 0.30 1 157 19 19 LEU CD1 C 25.713 0.30 1 158 19 19 LEU CD2 C 22.717 0.30 1 159 19 19 LEU N N 115.742 0.10 1 160 20 20 GLU H H 8.219 0.05 1 161 20 20 GLU HA H 3.878 0.05 1 162 20 20 GLU HB2 H 2.143 0.05 1 163 20 20 GLU HB3 H 2.009 0.05 1 164 20 20 GLU HG2 H 2.419 0.05 1 165 20 20 GLU HG3 H 2.178 0.05 1 166 20 20 GLU C C 174.021 0.30 1 167 20 20 GLU CA C 58.440 0.30 1 168 20 20 GLU CB C 29.862 0.30 1 169 20 20 GLU CG C 37.006 0.30 1 170 20 20 GLU N N 119.710 0.10 1 171 21 21 GLU H H 7.211 0.05 1 172 21 21 GLU HA H 4.046 0.05 1 173 21 21 GLU HB2 H 2.037 0.05 2 174 21 21 GLU HB3 H 2.037 0.05 2 175 21 21 GLU C C 175.164 0.30 1 176 21 21 GLU CA C 57.122 0.30 1 177 21 21 GLU CB C 29.855 0.30 1 178 21 21 GLU CG C 36.090 0.30 1 179 21 21 GLU N N 115.622 0.10 1 180 22 22 LEU H H 7.014 0.05 1 181 22 22 LEU HA H 4.210 0.05 1 182 22 22 LEU HB2 H 1.849 0.05 1 183 22 22 LEU HB3 H 1.387 0.05 1 184 22 22 LEU HG H 1.722 0.05 1 185 22 22 LEU HD1 H 0.639 0.05 2 186 22 22 LEU HD2 H 0.632 0.05 2 187 22 22 LEU C C 175.730 0.30 1 188 22 22 LEU CA C 54.533 0.30 1 189 22 22 LEU CB C 40.694 0.30 1 190 22 22 LEU CG C 26.405 0.30 1 191 22 22 LEU CD1 C 26.405 0.30 1 192 22 22 LEU CD2 C 23.409 0.30 1 193 22 22 LEU N N 117.476 0.10 1 194 23 23 GLU H H 8.779 0.05 1 195 23 23 GLU HA H 4.309 0.05 1 196 23 23 GLU HB2 H 2.333 0.05 1 197 23 23 GLU HB3 H 1.489 0.05 1 198 23 23 GLU HG2 H 2.359 0.05 1 199 23 23 GLU HG3 H 2.295 0.05 1 200 23 23 GLU C C 174.991 0.30 1 201 23 23 GLU CA C 55.674 0.30 1 202 23 23 GLU CB C 30.323 0.30 1 203 23 23 GLU CG C 36.084 0.30 1 204 23 23 GLU N N 122.834 0.10 1 205 24 24 ALA H H 9.112 0.05 1 206 24 24 ALA HA H 4.030 0.05 1 207 24 24 ALA HB H 1.447 0.05 1 208 24 24 ALA C C 179.229 0.30 1 209 24 24 ALA CA C 56.827 0.30 1 210 24 24 ALA CB C 17.647 0.30 1 211 24 24 ALA N N 127.076 0.10 1 212 25 25 VAL H H 8.751 0.05 1 213 25 25 VAL HA H 3.926 0.05 1 214 25 25 VAL HB H 2.147 0.05 1 215 25 25 VAL HG1 H 1.007 0.05 2 216 25 25 VAL HG2 H 0.961 0.05 2 217 25 25 VAL C C 175.025 0.30 1 218 25 25 VAL CA C 65.123 0.30 1 219 25 25 VAL CB C 31.245 0.30 1 220 25 25 VAL CG1 C 21.565 0.30 1 221 25 25 VAL CG2 C 21.104 0.30 1 222 25 25 VAL N N 115.684 0.10 1 223 26 26 GLU H H 6.833 0.05 1 224 26 26 GLU HA H 3.968 0.05 1 225 26 26 GLU HB2 H 2.553 0.05 1 226 26 26 GLU HB3 H 1.900 0.05 1 227 26 26 GLU HG2 H 2.299 0.05 2 228 26 26 GLU HG3 H 2.299 0.05 2 229 26 26 GLU C C 175.499 0.30 1 230 26 26 GLU CA C 58.209 0.30 1 231 26 26 GLU CB C 30.323 0.30 1 232 26 26 GLU CG C 36.084 0.30 1 233 26 26 GLU N N 120.489 0.10 1 234 27 27 LEU H H 8.535 0.05 1 235 27 27 LEU HA H 4.095 0.05 1 236 27 27 LEU HB2 H 1.983 0.05 1 237 27 27 LEU HB3 H 1.389 0.05 1 238 27 27 LEU HG H 1.569 0.05 1 239 27 27 LEU HD1 H 0.864 0.05 2 240 27 27 LEU HD2 H 0.736 0.05 2 241 27 27 LEU C C 175.730 0.30 1 242 27 27 LEU CA C 57.748 0.30 1 243 27 27 LEU CB C 40.002 0.30 1 244 27 27 LEU CG C 27.557 0.30 1 245 27 27 LEU CD1 C 25.253 0.30 1 246 27 27 LEU CD2 C 23.178 0.30 1 247 27 27 LEU N N 121.586 0.10 1 248 28 28 LYS H H 7.619 0.05 1 249 28 28 LYS HA H 4.070 0.05 1 250 28 28 LYS HB2 H 2.030 0.05 1 251 28 28 LYS HB3 H 1.921 0.05 1 252 28 28 LYS HG2 H 1.593 0.05 1 253 28 28 LYS HG3 H 1.441 0.05 1 254 28 28 LYS HD2 H 1.733 0.05 2 255 28 28 LYS HD3 H 1.733 0.05 2 256 28 28 LYS HE2 H 2.938 0.05 2 257 28 28 LYS HE3 H 2.938 0.05 2 258 28 28 LYS C C 175.972 0.30 1 259 28 28 LYS CA C 60.514 0.30 1 260 28 28 LYS CB C 31.936 0.30 1 261 28 28 LYS CG C 25.483 0.30 1 262 28 28 LYS CD C 29.631 0.30 1 263 28 28 LYS CE C 42.538 0.30 1 264 28 28 LYS N N 118.964 0.10 1 265 29 29 LYS H H 7.806 0.05 1 266 29 29 LYS HA H 3.936 0.05 1 267 29 29 LYS HB2 H 1.984 0.05 1 268 29 29 LYS HB3 H 1.788 0.05 1 269 29 29 LYS HG2 H 1.709 0.05 1 270 29 29 LYS HG3 H 1.401 0.05 1 271 29 29 LYS HD2 H 1.625 0.05 2 272 29 29 LYS HD3 H 1.625 0.05 2 273 29 29 LYS HE2 H 2.835 0.05 2 274 29 29 LYS HE3 H 2.835 0.05 2 275 29 29 LYS C C 175.545 0.30 1 276 29 29 LYS CA C 60.284 0.30 1 277 29 29 LYS CB C 32.858 0.30 1 278 29 29 LYS CG C 25.944 0.30 1 279 29 29 LYS CD C 29.862 0.30 1 280 29 29 LYS CE C 42.077 0.30 1 281 29 29 LYS N N 118.804 0.10 1 282 30 30 PHE H H 8.867 0.05 1 283 30 30 PHE HA H 3.798 0.05 1 284 30 30 PHE HB2 H 3.740 0.05 1 285 30 30 PHE HB3 H 3.067 0.05 1 286 30 30 PHE HD1 H 6.947 0.05 1 287 30 30 PHE HD2 H 6.947 0.05 1 288 30 30 PHE HE1 H 6.707 0.05 1 289 30 30 PHE HE2 H 6.707 0.05 1 290 30 30 PHE C C 173.339 0.30 1 291 30 30 PHE CA C 61.205 0.30 1 292 30 30 PHE CB C 39.772 0.30 1 293 30 30 PHE N N 121.849 0.10 1 294 31 31 LYS H H 8.082 0.05 1 295 31 31 LYS HA H 3.851 0.05 1 296 31 31 LYS HB2 H 2.332 0.05 1 297 31 31 LYS HB3 H 2.262 0.05 1 298 31 31 LYS C C 175.938 0.30 1 299 31 31 LYS CA C 60.053 0.30 1 300 31 31 LYS CB C 34.241 0.30 1 301 31 31 LYS N N 116.874 0.10 1 302 32 32 LEU H H 8.286 0.05 1 303 32 32 LEU HA H 3.981 0.05 1 304 32 32 LEU HB2 H 1.728 0.05 1 305 32 32 LEU HB3 H 1.452 0.05 1 306 32 32 LEU HG H 1.596 0.05 1 307 32 32 LEU HD1 H 0.704 0.05 2 308 32 32 LEU HD2 H 0.522 0.05 2 309 32 32 LEU C C 177.485 0.30 1 310 32 32 LEU CA C 57.979 0.30 1 311 32 32 LEU CB C 41.846 0.30 1 312 32 32 LEU CG C 26.174 0.30 1 313 32 32 LEU CD1 C 24.331 0.30 1 314 32 32 LEU CD2 C 23.870 0.30 1 315 32 32 LEU N N 118.603 0.10 1 316 33 33 TYR H H 8.259 0.05 1 317 33 33 TYR HA H 3.995 0.05 1 318 33 33 TYR HB2 H 2.794 0.05 1 319 33 33 TYR HB3 H 2.745 0.05 1 320 33 33 TYR HD1 H 6.906 0.05 1 321 33 33 TYR HD2 H 6.906 0.05 1 322 33 33 TYR HE1 H 6.577 0.05 1 323 33 33 TYR HE2 H 6.577 0.05 1 324 33 33 TYR C C 175.256 0.30 1 325 33 33 TYR CA C 61.436 0.30 1 326 33 33 TYR CB C 37.467 0.30 1 327 33 33 TYR N N 119.888 0.10 1 328 34 34 LEU H H 7.600 0.05 1 329 34 34 LEU HA H 3.763 0.05 1 330 34 34 LEU HB2 H 1.618 0.05 1 331 34 34 LEU HB3 H 1.237 0.05 1 332 34 34 LEU HG H 1.502 0.05 1 333 34 34 LEU HD1 H 0.500 0.05 2 334 34 34 LEU HD2 H 0.493 0.05 2 335 34 34 LEU C C 175.684 0.30 1 336 34 34 LEU CA C 57.057 0.30 1 337 34 34 LEU CB C 41.616 0.30 1 338 34 34 LEU CG C 26.635 0.30 1 339 34 34 LEU CD1 C 26.635 0.30 1 340 34 34 LEU CD2 C 23.870 0.30 1 341 34 34 LEU N N 119.611 0.10 1 342 35 35 GLY H H 8.052 0.05 1 343 35 35 GLY HA2 H 4.134 0.05 1 344 35 35 GLY HA3 H 3.588 0.05 1 345 35 35 GLY C C 172.190 0.30 1 346 35 35 GLY CA C 45.764 0.30 1 347 35 35 GLY N N 103.691 0.10 1 348 36 36 THR H H 7.412 0.05 1 349 36 36 THR HA H 4.306 0.05 1 350 36 36 THR HB H 4.099 0.05 1 351 36 36 THR HG2 H 1.028 0.05 1 352 36 36 THR C C 172.127 0.30 1 353 36 36 THR CA C 62.127 0.30 1 354 36 36 THR CB C 70.655 0.30 1 355 36 36 THR CG2 C 21.335 0.30 1 356 36 36 THR N N 110.038 0.10 1 357 37 37 ALA H H 7.761 0.05 1 358 37 37 ALA HA H 4.102 0.05 1 359 37 37 ALA HB H 1.002 0.05 1 360 37 37 ALA C C 175.741 0.30 1 361 37 37 ALA CA C 53.139 0.30 1 362 37 37 ALA CB C 18.569 0.30 1 363 37 37 ALA N N 125.678 0.10 1 364 38 38 THR H H 8.030 0.05 1 365 38 38 THR HA H 4.103 0.05 1 366 38 38 THR HB H 4.139 0.05 1 367 38 38 THR HG2 H 1.077 0.05 1 368 38 38 THR C C 173.363 0.30 1 369 38 38 THR CA C 63.049 0.30 1 370 38 38 THR CB C 69.502 0.30 1 371 38 38 THR CG2 C 21.796 0.30 1 372 38 38 THR N N 114.566 0.10 1 373 39 39 GLU H H 8.837 0.05 1 374 39 39 GLU HA H 4.098 0.05 1 375 39 39 GLU HB2 H 1.898 0.05 2 376 39 39 GLU HB3 H 1.898 0.05 2 377 39 39 GLU HG2 H 2.125 0.05 2 378 39 39 GLU HG3 H 2.125 0.05 2 379 39 39 GLU C C 173.975 0.30 1 380 39 39 GLU CA C 57.748 0.30 1 381 39 39 GLU CB C 28.940 0.30 1 382 39 39 GLU CG C 35.854 0.30 1 383 39 39 GLU N N 121.121 0.10 1 384 40 40 LEU H H 7.691 0.05 1 385 40 40 LEU HA H 4.174 0.05 1 386 40 40 LEU HB2 H 1.547 0.05 1 387 40 40 LEU HB3 H 1.405 0.05 1 388 40 40 LEU HG H 1.428 0.05 1 389 40 40 LEU HD1 H 0.765 0.05 2 390 40 40 LEU HD2 H 0.651 0.05 2 391 40 40 LEU C C 175.279 0.30 1 392 40 40 LEU CA C 55.213 0.30 1 393 40 40 LEU CB C 42.077 0.30 1 394 40 40 LEU CG C 27.327 0.30 1 395 40 40 LEU CD1 C 25.944 0.30 1 396 40 40 LEU CD2 C 22.948 0.30 1 397 40 40 LEU N N 119.438 0.10 1 398 41 41 GLY H H 7.918 0.05 1 399 41 41 GLY HA2 H 3.845 0.05 1 400 41 41 GLY HA3 H 3.845 0.05 1 401 41 41 GLY C C 171.965 0.30 1 402 41 41 GLY CA C 45.764 0.30 1 403 41 41 GLY N N 108.372 0.10 1 404 42 42 GLU H H 8.506 0.05 1 405 42 42 GLU HA H 4.160 0.05 1 406 42 42 GLU HB2 H 2.039 0.05 1 407 42 42 GLU HB3 H 1.836 0.05 1 408 42 42 GLU HG2 H 2.178 0.05 1 409 42 42 GLU HG3 H 2.178 0.05 1 410 42 42 GLU C C 174.159 0.30 1 411 42 42 GLU CA C 56.827 0.30 1 412 42 42 GLU CB C 29.401 0.30 1 413 42 42 GLU CG C 36.315 0.30 1 414 42 42 GLU N N 121.744 0.10 1 415 43 43 GLY H H 8.368 0.05 1 416 43 43 GLY HA2 H 3.956 0.05 1 417 43 43 GLY HA3 H 3.706 0.05 1 418 43 43 GLY C C 170.938 0.30 1 419 43 43 GLY CA C 45.534 0.30 1 420 43 43 GLY N N 108.939 0.10 1 421 44 44 LYS H H 7.464 0.05 1 422 44 44 LYS HA H 4.117 0.05 1 423 44 44 LYS HB2 H 1.584 0.05 2 424 44 44 LYS HB3 H 1.584 0.05 2 425 44 44 LYS HG2 H 1.281 0.05 1 426 44 44 LYS HG3 H 1.211 0.05 1 427 44 44 LYS HD2 H 1.459 0.05 2 428 44 44 LYS HD3 H 1.459 0.05 2 429 44 44 LYS HE2 H 2.811 0.05 2 430 44 44 LYS HE3 H 2.811 0.05 2 431 44 44 LYS C C 173.351 0.30 1 432 44 44 LYS CA C 56.596 0.30 1 433 44 44 LYS CB C 33.319 0.30 1 434 44 44 LYS CG C 24.561 0.30 1 435 44 44 LYS CD C 28.940 0.30 1 436 44 44 LYS CE C 41.846 0.30 1 437 44 44 LYS N N 118.892 0.10 1 438 45 45 ILE H H 7.990 0.05 1 439 45 45 ILE HA H 3.825 0.05 1 440 45 45 ILE HB H 1.425 0.05 1 441 45 45 ILE HG12 H 1.230 0.05 1 442 45 45 ILE HG13 H 0.181 0.05 1 443 45 45 ILE HG2 H 0.546 0.05 1 444 45 45 ILE HD1 H 0.523 0.05 1 445 45 45 ILE C C 171.249 0.30 1 446 45 45 ILE CA C 58.440 0.30 1 447 45 45 ILE CB C 39.311 0.30 1 448 45 45 ILE CG1 C 27.327 0.30 1 449 45 45 ILE CG2 C 16.956 0.30 1 450 45 45 ILE CD1 C 13.268 0.30 1 451 45 45 ILE N N 122.530 0.10 1 452 46 46 PRO HA H 4.328 0.05 1 453 46 46 PRO HB2 H 2.250 0.05 1 454 46 46 PRO HB3 H 1.862 0.05 1 455 46 46 PRO HG2 H 1.971 0.05 1 456 46 46 PRO HG3 H 1.867 0.05 1 457 46 46 PRO HD2 H 3.735 0.05 1 458 46 46 PRO HD3 H 3.326 0.05 1 459 46 46 PRO C C 175.637 0.30 1 460 46 46 PRO CA C 62.819 0.30 1 461 46 46 PRO CB C 31.936 0.30 1 462 46 46 PRO CG C 27.557 0.30 1 463 46 46 PRO CD C 51.065 0.30 1 464 47 47 TRP H H 8.854 0.05 1 465 47 47 TRP HA H 4.179 0.05 1 466 47 47 TRP HB2 H 3.322 0.05 1 467 47 47 TRP HB3 H 3.073 0.05 1 468 47 47 TRP HD1 H 7.157 0.05 1 469 47 47 TRP HE1 H 9.992 0.05 1 470 47 47 TRP HE3 H 7.486 0.05 1 471 47 47 TRP HZ2 H 7.450 0.05 1 472 47 47 TRP HZ3 H 6.908 0.05 1 473 47 47 TRP HH2 H 7.098 0.05 1 474 47 47 TRP C C 175.648 0.30 1 475 47 47 TRP CA C 60.284 0.30 1 476 47 47 TRP CB C 29.285 0.30 1 477 47 47 TRP N N 126.390 0.10 1 478 47 47 TRP NE1 N 128.740 0.10 1 479 48 48 GLY H H 8.985 0.05 1 480 48 48 GLY HA2 H 3.781 0.05 1 481 48 48 GLY HA3 H 3.617 0.05 1 482 48 48 GLY C C 173.467 0.30 1 483 48 48 GLY CA C 46.686 0.30 1 484 48 48 GLY N N 104.784 0.10 1 485 49 49 SER H H 7.348 0.05 1 486 49 49 SER HA H 4.257 0.05 1 487 49 49 SER HB2 H 3.752 0.05 2 488 49 49 SER HB3 H 3.752 0.05 2 489 49 49 SER CA C 60.284 0.30 1 490 49 49 SER CB C 63.049 0.30 1 491 49 49 SER N N 114.081 0.10 1 492 50 50 MET H H 7.360 0.05 1 493 50 50 MET HA H 4.102 0.05 1 494 50 50 MET HB2 H 1.755 0.05 1 495 50 50 MET HB3 H 1.602 0.05 1 496 50 50 MET HG2 H 2.136 0.05 1 497 50 50 MET HG3 H 1.987 0.05 1 498 50 50 MET C C 174.610 0.30 1 499 50 50 MET CA C 56.366 0.30 1 500 50 50 MET CB C 34.932 0.30 1 501 50 50 MET CG C 31.706 0.30 1 502 50 50 MET N N 116.490 0.10 1 503 51 51 GLU H H 7.630 0.05 1 504 51 51 GLU HA H 3.026 0.05 1 505 51 51 GLU HB2 H 1.523 0.05 1 506 51 51 GLU HB3 H 1.336 0.05 1 507 51 51 GLU HG2 H 2.079 0.05 1 508 51 51 GLU HG3 H 1.888 0.05 1 509 51 51 GLU C C 174.933 0.30 1 510 51 51 GLU CA C 60.744 0.30 1 511 51 51 GLU CB C 29.401 0.30 1 512 51 51 GLU CG C 35.624 0.30 1 513 51 51 GLU N N 121.738 0.10 1 514 52 52 LYS H H 8.164 0.05 1 515 52 52 LYS HA H 4.221 0.05 1 516 52 52 LYS HB2 H 1.862 0.05 1 517 52 52 LYS HB3 H 1.484 0.05 1 518 52 52 LYS HG2 H 1.235 0.05 2 519 52 52 LYS HG3 H 1.235 0.05 2 520 52 52 LYS HD2 H 1.519 0.05 2 521 52 52 LYS HD3 H 1.519 0.05 2 522 52 52 LYS HE2 H 2.837 0.05 2 523 52 52 LYS HE3 H 2.837 0.05 2 524 52 52 LYS C C 173.455 0.30 1 525 52 52 LYS CA C 55.444 0.30 1 526 52 52 LYS CB C 31.936 0.30 1 527 52 52 LYS CG C 25.253 0.30 1 528 52 52 LYS CD C 28.940 0.30 1 529 52 52 LYS CE C 42.077 0.30 1 530 52 52 LYS N N 114.954 0.10 1 531 53 53 ALA H H 6.898 0.05 1 532 53 53 ALA HA H 4.018 0.05 1 533 53 53 ALA HB H 1.201 0.05 1 534 53 53 ALA C C 175.684 0.30 1 535 53 53 ALA CA C 52.909 0.30 1 536 53 53 ALA CB C 19.491 0.30 1 537 53 53 ALA N N 122.398 0.10 1 538 54 54 GLY H H 8.487 0.05 1 539 54 54 GLY HA2 H 4.338 0.05 1 540 54 54 GLY HA3 H 3.861 0.05 1 541 54 54 GLY C C 179.598 0.30 1 542 54 54 GLY CA C 43.920 0.30 1 543 54 54 GLY N N 112.222 0.10 1 544 55 55 PRO HA H 3.712 0.05 1 545 55 55 PRO HB2 H 2.059 0.05 1 546 55 55 PRO HB3 H 1.934 0.05 1 547 55 55 PRO HG2 H 2.148 0.05 1 548 55 55 PRO HG3 H 1.664 0.05 1 549 55 55 PRO HD2 H 3.733 0.05 1 550 55 55 PRO HD3 H 3.441 0.05 1 551 55 55 PRO C C 174.298 0.30 1 552 55 55 PRO CA C 66.967 0.30 1 553 55 55 PRO CB C 32.397 0.30 1 554 55 55 PRO CG C 28.018 0.30 1 555 55 55 PRO CD C 48.760 0.30 1 556 56 56 LEU H H 8.131 0.05 1 557 56 56 LEU HA H 4.004 0.05 1 558 56 56 LEU HB2 H 1.543 0.05 2 559 56 56 LEU HB3 H 1.543 0.05 2 560 56 56 LEU HG H 1.478 0.05 1 561 56 56 LEU HD1 H 0.783 0.05 2 562 56 56 LEU HD2 H 0.837 0.05 2 563 56 56 LEU C C 176.266 0.30 1 564 56 56 LEU CA C 58.440 0.30 1 565 56 56 LEU CB C 40.924 0.30 1 566 56 56 LEU CG C 27.557 0.30 1 567 56 56 LEU CD1 C 25.253 0.30 1 568 56 56 LEU CD2 C 23.409 0.30 1 569 56 56 LEU N N 118.125 0.10 1 570 57 57 GLU H H 7.910 0.05 1 571 57 57 GLU HA H 3.921 0.05 1 572 57 57 GLU HB2 H 2.003 0.05 1 573 57 57 GLU HB3 H 1.812 0.05 1 574 57 57 GLU HG2 H 2.285 0.05 1 575 57 57 GLU HG3 H 2.179 0.05 1 576 57 57 GLU C C 177.116 0.30 1 577 57 57 GLU CA C 59.823 0.30 1 578 57 57 GLU CB C 29.170 0.30 1 579 57 57 GLU CG C 36.776 0.30 1 580 57 57 GLU N N 118.898 0.10 1 581 58 58 MET H H 8.969 0.05 1 582 58 58 MET HA H 4.305 0.05 1 583 58 58 MET HB2 H 2.024 0.05 1 584 58 58 MET HB3 H 1.770 0.05 1 585 58 58 MET HG2 H 2.476 0.05 1 586 58 58 MET HG3 H 2.138 0.05 1 587 58 58 MET C C 174.864 0.30 1 588 58 58 MET CA C 55.905 0.30 1 589 58 58 MET CB C 31.245 0.30 1 590 58 58 MET CG C 32.627 0.30 1 591 58 58 MET N N 118.180 0.10 1 592 59 59 ALA H H 8.137 0.05 1 593 59 59 ALA HA H 3.799 0.05 1 594 59 59 ALA HB H 1.437 0.05 1 595 59 59 ALA C C 178.407 0.30 1 596 59 59 ALA CA C 55.790 0.30 1 597 59 59 ALA CB C 18.799 0.30 1 598 59 59 ALA N N 122.286 0.10 1 599 60 60 GLN H H 7.994 0.05 1 600 60 60 GLN HA H 3.843 0.05 1 601 60 60 GLN HB2 H 2.117 0.05 1 602 60 60 GLN HB3 H 1.995 0.05 1 603 60 60 GLN HG2 H 2.335 0.05 1 604 60 60 GLN HG3 H 2.264 0.05 1 605 60 60 GLN NE2 N 110.472 0.05 1 606 60 60 GLN HE21 H 5.944 0.05 1 607 60 60 GLN HE22 H 5.511 0.05 1 608 60 60 GLN C C 175.995 0.30 1 609 60 60 GLN CA C 58.901 0.30 1 610 60 60 GLN CB C 28.479 0.30 1 611 60 60 GLN CG C 34.010 0.30 1 612 60 60 GLN N N 115.648 0.10 1 613 61 61 LEU H H 8.438 0.05 1 614 61 61 LEU HA H 4.037 0.05 1 615 61 61 LEU HB2 H 1.898 0.05 1 616 61 61 LEU HB3 H 1.475 0.05 1 617 61 61 LEU HG H 1.655 0.05 1 618 61 61 LEU HD1 H 0.751 0.05 2 619 61 61 LEU HD2 H 0.701 0.05 2 620 61 61 LEU C C 176.667 0.30 1 621 61 61 LEU CA C 58.440 0.30 1 622 61 61 LEU CB C 42.538 0.30 1 623 61 61 LEU CG C 27.096 0.30 1 624 61 61 LEU CD1 C 24.561 0.30 1 625 61 61 LEU CD2 C 25.253 0.30 1 626 61 61 LEU N N 121.919 0.10 1 627 62 62 LEU H H 8.340 0.05 1 628 62 62 LEU HA H 4.047 0.05 1 629 62 62 LEU HB2 H 2.094 0.05 1 630 62 62 LEU HB3 H 1.429 0.05 1 631 62 62 LEU HG H 1.959 0.05 1 632 62 62 LEU HD1 H 0.952 0.05 2 633 62 62 LEU HD2 H 0.924 0.05 2 634 62 62 LEU C C 176.111 0.30 1 635 62 62 LEU CA C 58.670 0.30 1 636 62 62 LEU CB C 42.538 0.30 1 637 62 62 LEU CG C 28.249 0.30 1 638 62 62 LEU CD1 C 25.944 0.30 1 639 62 62 LEU CD2 C 23.870 0.30 1 640 62 62 LEU N N 118.271 0.10 1 641 63 63 ILE H H 8.060 0.05 1 642 63 63 ILE HA H 3.308 0.05 1 643 63 63 ILE HB H 1.777 0.05 1 644 63 63 ILE HG12 H 1.648 0.05 1 645 63 63 ILE HG13 H 0.807 0.05 1 646 63 63 ILE HG2 H 0.744 0.05 1 647 63 63 ILE HD1 H 0.716 0.05 1 648 63 63 ILE C C 176.688 0.30 1 649 63 63 ILE CA C 65.584 0.30 1 650 63 63 ILE CB C 37.698 0.30 1 651 63 63 ILE CG1 C 30.553 0.30 1 652 63 63 ILE CG2 C 17.417 0.30 1 653 63 63 ILE CD1 C 13.268 0.30 1 654 63 63 ILE N N 119.557 0.10 1 655 64 64 THR H H 8.772 0.05 1 656 64 64 THR HA H 3.750 0.05 1 657 64 64 THR HB H 4.128 0.05 1 658 64 64 THR HG2 H 0.925 0.05 1 659 64 64 THR C C 172.889 0.30 1 660 64 64 THR CA C 66.737 0.30 1 661 64 64 THR CB C 68.811 0.30 1 662 64 64 THR CG2 C 21.335 0.30 1 663 64 64 THR N N 118.348 0.10 1 664 65 65 HIS H H 8.002 0.05 1 665 65 65 HIS HA H 3.951 0.05 1 666 65 65 HIS HB2 H 2.548 0.05 1 667 65 65 HIS HB3 H 2.095 0.05 1 668 65 65 HIS HD2 H 6.345 0.05 1 669 65 65 HIS HE1 H 7.446 0.05 1 670 65 65 HIS C C 173.836 0.30 1 671 65 65 HIS CA C 59.823 0.30 1 672 65 65 HIS CB C 30.092 0.30 1 673 65 65 HIS N N 117.026 0.10 1 674 66 66 PHE H H 8.241 0.05 1 675 66 66 PHE HA H 4.745 0.05 1 676 66 66 PHE HB2 H 3.145 0.05 1 677 66 66 PHE HB3 H 2.770 0.05 1 678 66 66 PHE HD1 H 7.443 0.05 1 679 66 66 PHE HD2 H 7.443 0.05 1 680 66 66 PHE HE1 H 7.205 0.05 1 681 66 66 PHE HE2 H 7.205 0.05 1 682 66 66 PHE HZ H 7.171 0.05 1 683 66 66 PHE C C 174.367 0.30 1 684 66 66 PHE CA C 58.440 0.30 1 685 66 66 PHE CB C 40.694 0.30 1 686 66 66 PHE N N 113.027 0.10 1 687 67 67 GLY H H 7.885 0.05 1 688 67 67 GLY HA2 H 4.530 0.05 1 689 67 67 GLY HA3 H 4.094 0.05 1 690 67 67 GLY C C 179.737 0.30 1 691 67 67 GLY CA C 44.381 0.30 1 692 67 67 GLY N N 110.585 0.10 1 693 68 68 PRO HA H 4.095 0.05 1 694 68 68 PRO HB2 H 2.276 0.05 1 695 68 68 PRO HB3 H 1.980 0.05 1 696 68 68 PRO HG2 H 2.184 0.05 1 697 68 68 PRO HG3 H 1.984 0.05 1 698 68 68 PRO HD2 H 3.828 0.05 1 699 68 68 PRO HD3 H 3.609 0.05 1 700 68 68 PRO C C 176.273 0.30 1 701 68 68 PRO CA C 66.506 0.30 1 702 68 68 PRO CB C 31.936 0.30 1 703 68 68 PRO CG C 28.018 0.30 1 704 68 68 PRO CD C 49.452 0.30 1 705 69 69 GLU H H 8.291 0.05 1 706 69 69 GLU HA H 4.104 0.05 1 707 69 69 GLU HB2 H 2.014 0.05 2 708 69 69 GLU HB3 H 2.014 0.05 2 709 69 69 GLU HG2 H 2.277 0.05 2 710 69 69 GLU HG3 H 2.277 0.05 2 711 69 69 GLU C C 176.711 0.30 1 712 69 69 GLU CA C 60.284 0.30 1 713 69 69 GLU CB C 29.170 0.30 1 714 69 69 GLU CG C 36.776 0.30 1 715 69 69 GLU N N 118.773 0.10 1 716 70 70 GLU H H 9.061 0.05 1 717 70 70 GLU HA H 4.245 0.05 1 718 70 70 GLU HB2 H 2.087 0.05 1 719 70 70 GLU HB3 H 1.935 0.05 1 720 70 70 GLU HG2 H 2.341 0.05 1 721 70 70 GLU HG3 H 2.114 0.05 1 722 70 70 GLU C C 178.280 0.30 1 723 70 70 GLU CA C 57.748 0.30 1 724 70 70 GLU CB C 28.710 0.30 1 725 70 70 GLU CG C 35.393 0.30 1 726 70 70 GLU N N 121.413 0.10 1 727 71 71 ALA H H 8.318 0.05 1 728 71 71 ALA HA H 3.664 0.05 1 729 71 71 ALA HB H 1.373 0.05 1 730 71 71 ALA C C 175.764 0.30 1 731 71 71 ALA CA C 55.905 0.30 1 732 71 71 ALA CB C 19.721 0.30 1 733 71 71 ALA N N 119.906 0.10 1 734 72 72 TRP H H 7.177 0.05 1 735 72 72 TRP HA H 4.431 0.05 1 736 72 72 TRP HB2 H 3.227 0.05 2 737 72 72 TRP HB3 H 3.227 0.05 2 738 72 72 TRP HD1 H 7.189 0.05 1 739 72 72 TRP HE1 H 10.224 0.05 1 740 72 72 TRP HE3 H 7.288 0.05 1 741 72 72 TRP HZ2 H 7.208 0.05 1 742 72 72 TRP HZ3 H 6.258 0.05 1 743 72 72 TRP HH2 H 5.751 0.05 1 744 72 72 TRP C C 173.443 0.30 1 745 72 72 TRP CA C 59.131 0.30 1 746 72 72 TRP CB C 30.092 0.30 1 747 72 72 TRP N N 115.396 0.10 1 748 72 72 TRP NE1 N 129.615 0.10 1 749 73 73 ARG H H 7.651 0.05 1 750 73 73 ARG HA H 3.467 0.05 1 751 73 73 ARG HB2 H 1.743 0.05 1 752 73 73 ARG HB3 H 1.719 0.05 1 753 73 73 ARG HG2 H 1.658 0.05 1 754 73 73 ARG HG3 H 1.416 0.05 1 755 73 73 ARG HD2 H 3.171 0.05 1 756 73 73 ARG HD3 H 3.016 0.05 1 757 73 73 ARG C C 177.231 0.30 1 758 73 73 ARG CA C 60.053 0.30 1 759 73 73 ARG CB C 30.092 0.30 1 760 73 73 ARG CG C 27.327 0.30 1 761 73 73 ARG CD C 42.768 0.30 1 762 73 73 ARG N N 117.367 0.10 1 763 74 74 LEU H H 8.551 0.05 1 764 74 74 LEU HA H 3.750 0.05 1 765 74 74 LEU HB2 H 1.341 0.05 1 766 74 74 LEU HB3 H 1.063 0.05 1 767 74 74 LEU HG H 1.072 0.05 1 768 74 74 LEU HD1 H 0.197 0.05 2 769 74 74 LEU HD2 H 0.123 0.05 2 770 74 74 LEU C C 177.312 0.30 1 771 74 74 LEU CA C 57.057 0.30 1 772 74 74 LEU CB C 41.846 0.30 1 773 74 74 LEU CG C 26.866 0.30 1 774 74 74 LEU CD1 C 24.331 0.30 1 775 74 74 LEU CD2 C 23.409 0.30 1 776 74 74 LEU N N 119.554 0.10 1 777 75 75 ALA H H 8.273 0.05 1 778 75 75 ALA HA H 3.484 0.05 1 779 75 75 ALA HB H 1.073 0.05 1 780 75 75 ALA C C 174.644 0.30 1 781 75 75 ALA CA C 55.674 0.30 1 782 75 75 ALA CB C 17.878 0.30 1 783 75 75 ALA N N 124.916 0.10 1 784 76 76 LEU H H 7.807 0.05 1 785 76 76 LEU HA H 3.565 0.05 1 786 76 76 LEU HB2 H 1.253 0.05 1 787 76 76 LEU HB3 H 1.076 0.05 1 788 76 76 LEU HG H 0.709 0.05 1 789 76 76 LEU HD1 H 0.176 0.05 2 790 76 76 LEU HD2 H 0.134 0.05 2 791 76 76 LEU C C 176.550 0.30 1 792 76 76 LEU CA C 58.209 0.30 1 793 76 76 LEU CB C 40.924 0.30 1 794 76 76 LEU CG C 25.483 0.30 1 795 76 76 LEU CD1 C 22.487 0.30 1 796 76 76 LEU CD2 C 24.792 0.30 1 797 76 76 LEU N N 114.522 0.10 1 798 77 77 SER H H 7.666 0.05 1 799 77 77 SER HA H 4.130 0.05 1 800 77 77 SER HB2 H 3.762 0.05 2 801 77 77 SER HB3 H 3.762 0.05 2 802 77 77 SER CA C 60.975 0.30 1 803 77 77 SER CB C 62.588 0.30 1 804 77 77 SER N N 111.677 0.10 1 805 78 78 THR H H 7.796 0.05 1 806 78 78 THR HA H 3.338 0.05 1 807 78 78 THR HB H 3.681 0.05 1 808 78 78 THR HG2 H 0.527 0.05 1 809 78 78 THR CA C 67.198 0.30 1 810 78 78 THR CB C 67.198 0.30 1 811 78 78 THR CG2 C 22.948 0.30 1 812 78 78 THR N N 119.545 0.10 1 813 79 79 PHE H H 8.425 0.05 1 814 79 79 PHE HA H 4.515 0.05 1 815 79 79 PHE HB2 H 3.506 0.05 1 816 79 79 PHE HB3 H 3.311 0.05 1 817 79 79 PHE HD1 H 7.016 0.05 1 818 79 79 PHE HD2 H 7.016 0.05 1 819 79 79 PHE HE1 H 6.915 0.05 1 820 79 79 PHE HE2 H 6.915 0.05 1 821 79 79 PHE HZ H 6.798 0.05 1 822 79 79 PHE C C 175.233 0.30 1 823 79 79 PHE CA C 58.209 0.30 1 824 79 79 PHE CB C 36.545 0.30 1 825 79 79 PHE N N 120.964 0.10 1 826 80 80 GLU H H 7.345 0.05 1 827 80 80 GLU HA H 3.418 0.05 1 828 80 80 GLU HB2 H 1.801 0.05 1 829 80 80 GLU HB3 H 1.336 0.05 1 830 80 80 GLU HG2 H 1.483 0.05 2 831 80 80 GLU HG3 H 1.483 0.05 2 832 80 80 GLU C C 176.042 0.30 1 833 80 80 GLU CA C 60.284 0.30 1 834 80 80 GLU CB C 28.940 0.30 1 835 80 80 GLU CG C 36.084 0.30 1 836 80 80 GLU N N 116.928 0.10 1 837 81 81 ARG H H 7.285 0.05 1 838 81 81 ARG HA H 3.897 0.05 1 839 81 81 ARG HB2 H 1.495 0.05 2 840 81 81 ARG HB3 H 1.495 0.05 2 841 81 81 ARG HG2 H 1.393 0.05 2 842 81 81 ARG HG3 H 1.393 0.05 2 843 81 81 ARG HD2 H 2.739 0.05 2 844 81 81 ARG HD3 H 2.739 0.05 2 845 81 81 ARG C C 175.256 0.30 1 846 81 81 ARG CA C 57.979 0.30 1 847 81 81 ARG CB C 30.323 0.30 1 848 81 81 ARG CG C 26.405 0.30 1 849 81 81 ARG CD C 42.999 0.30 1 850 81 81 ARG N N 118.501 0.10 1 851 82 82 ILE H H 7.571 0.05 1 852 82 82 ILE HA H 4.432 0.05 1 853 82 82 ILE HB H 2.179 0.05 1 854 82 82 ILE HG12 H 1.701 0.05 1 855 82 82 ILE HG13 H 1.421 0.05 1 856 82 82 ILE HG2 H 0.664 0.05 1 857 82 82 ILE HD1 H 1.051 0.05 1 858 82 82 ILE C C 171.919 0.30 1 859 82 82 ILE CA C 60.744 0.30 1 860 82 82 ILE CB C 37.237 0.30 1 861 82 82 ILE CG1 C 26.174 0.30 1 862 82 82 ILE CG2 C 16.956 0.30 1 863 82 82 ILE CD1 C 16.264 0.30 1 864 82 82 ILE N N 110.431 0.10 1 865 83 83 ASN H H 7.725 0.05 1 866 83 83 ASN HA H 4.280 0.05 1 867 83 83 ASN HB2 H 3.255 0.05 1 868 83 83 ASN HB3 H 2.709 0.05 1 869 83 83 ASN HD21 H 7.533 0.05 1 870 83 83 ASN HD22 H 6.788 0.05 1 871 83 83 ASN C C 172.381 0.30 1 872 83 83 ASN CA C 54.752 0.30 1 873 83 83 ASN CB C 36.776 0.30 1 874 83 83 ASN N N 114.634 0.10 1 875 83 83 ASN ND2 N 112.068 0.10 1 876 84 84 ARG H H 8.248 0.05 1 877 84 84 ARG HA H 4.780 0.05 1 878 84 84 ARG HB2 H 1.750 0.05 1 879 84 84 ARG HB3 H 1.477 0.05 1 880 84 84 ARG HG2 H 1.357 0.05 1 881 84 84 ARG HG3 H 1.162 0.05 1 882 84 84 ARG HD2 H 3.723 0.05 1 883 84 84 ARG HD3 H 3.237 0.05 1 884 84 84 ARG C C 174.333 0.30 1 885 84 84 ARG CA C 51.065 0.30 1 886 84 84 ARG CB C 26.405 0.30 1 887 84 84 ARG CG C 24.100 0.30 1 888 84 84 ARG CD C 39.081 0.30 1 889 84 84 ARG N N 118.456 0.10 1 890 85 85 LYS H H 8.269 0.05 1 891 85 85 LYS HA H 3.883 0.05 1 892 85 85 LYS HB2 H 1.946 0.05 1 893 85 85 LYS HB3 H 1.859 0.05 1 894 85 85 LYS HG2 H 1.450 0.05 2 895 85 85 LYS HG3 H 1.450 0.05 2 896 85 85 LYS HD2 H 1.550 0.05 2 897 85 85 LYS HD3 H 1.550 0.05 2 898 85 85 LYS HE2 H 2.792 0.05 1 899 85 85 LYS HE3 H 2.711 0.05 1 900 85 85 LYS CA C 59.131 0.30 1 901 85 85 LYS CB C 32.167 0.30 1 902 85 85 LYS CG C 26.635 0.30 1 903 85 85 LYS CD C 29.170 0.30 1 904 85 85 LYS CE C 41.846 0.30 1 905 85 85 LYS N N 122.179 0.10 1 906 86 86 ASP H H 9.040 0.05 1 907 86 86 ASP HA H 4.280 0.05 1 908 86 86 ASP HB2 H 2.757 0.05 1 909 86 86 ASP HB3 H 2.422 0.05 1 910 86 86 ASP CA C 56.366 0.30 1 911 86 86 ASP CB C 38.389 0.30 1 912 86 86 ASP N N 117.207 0.10 1 913 87 87 LEU H H 7.287 0.05 1 914 87 87 LEU HA H 4.002 0.05 1 915 87 87 LEU HB2 H 1.388 0.05 1 916 87 87 LEU HB3 H 0.829 0.05 1 917 87 87 LEU HG H 1.323 0.05 1 918 87 87 LEU HD1 H 0.066 0.05 2 919 87 87 LEU HD2 H 0.313 0.05 2 920 87 87 LEU C C 176.042 0.30 1 921 87 87 LEU CA C 57.057 0.30 1 922 87 87 LEU CB C 41.616 0.30 1 923 87 87 LEU CG C 26.174 0.30 1 924 87 87 LEU CD1 C 25.253 0.30 1 925 87 87 LEU CD2 C 21.335 0.30 1 926 87 87 LEU N N 121.200 0.10 1 927 88 88 TRP H H 7.436 0.05 1 928 88 88 TRP HA H 4.175 0.05 1 929 88 88 TRP HB2 H 3.589 0.05 1 930 88 88 TRP HB3 H 3.145 0.05 1 931 88 88 TRP HD1 H 7.278 0.05 1 932 88 88 TRP HE1 H 10.108 0.05 1 933 88 88 TRP HE3 H 7.545 0.05 1 934 88 88 TRP HZ2 H 7.329 0.05 1 935 88 88 TRP HZ3 H 7.112 0.05 1 936 88 88 TRP HH2 H 7.109 0.05 1 937 88 88 TRP C C 174.517 0.30 1 938 88 88 TRP CA C 61.897 0.30 1 939 88 88 TRP CB C 28.940 0.30 1 940 88 88 TRP N N 119.986 0.10 1 941 88 88 TRP NE1 N 130.819 0.10 1 942 89 89 GLU H H 8.874 0.05 1 943 89 89 GLU HA H 3.457 0.05 1 944 89 89 GLU HB2 H 2.157 0.05 1 945 89 89 GLU HB3 H 1.969 0.05 1 946 89 89 GLU HG2 H 2.475 0.05 1 947 89 89 GLU HG3 H 2.250 0.05 1 948 89 89 GLU C C 176.688 0.30 1 949 89 89 GLU CA C 59.592 0.30 1 950 89 89 GLU CB C 29.401 0.30 1 951 89 89 GLU CG C 36.545 0.30 1 952 89 89 GLU N N 118.238 0.10 1 953 90 90 ARG H H 7.795 0.05 1 954 90 90 ARG HA H 3.822 0.05 1 955 90 90 ARG HB2 H 2.027 0.05 1 956 90 90 ARG HB3 H 1.849 0.05 1 957 90 90 ARG HG2 H 1.779 0.05 1 958 90 90 ARG HG3 H 1.737 0.05 1 959 90 90 ARG HD2 H 2.998 0.05 1 960 90 90 ARG HD3 H 2.829 0.05 1 961 90 90 ARG C C 176.735 0.30 1 962 90 90 ARG CA C 59.592 0.30 1 963 90 90 ARG CB C 31.245 0.30 1 964 90 90 ARG CG C 26.635 0.30 1 965 90 90 ARG CD C 44.151 0.30 1 966 90 90 ARG N N 119.545 0.10 1 967 91 91 GLY H H 8.577 0.05 1 968 91 91 GLY HA2 H 4.167 0.05 1 969 91 91 GLY HA3 H 3.590 0.05 1 970 91 91 GLY C C 173.582 0.30 1 971 91 91 GLY CA C 46.916 0.30 1 972 91 91 GLY N N 107.410 0.10 1 973 92 92 GLN H H 7.747 0.05 1 974 92 92 GLN HA H 3.786 0.05 1 975 92 92 GLN HB2 H 1.712 0.05 1 976 92 92 GLN HB3 H 1.570 0.05 1 977 92 92 GLN HG2 H 1.618 0.05 1 978 92 92 GLN HG3 H 1.355 0.05 1 979 92 92 GLN HE21 H 7.129 0.05 1 980 92 92 GLN HE22 H 6.724 0.05 1 981 92 92 GLN C C 174.968 0.30 1 982 92 92 GLN CA C 57.518 0.30 1 983 92 92 GLN CB C 28.479 0.30 1 984 92 92 GLN CG C 32.627 0.30 1 985 92 92 GLN N N 118.898 0.10 1 986 92 92 GLN NE2 N 111.461 0.10 1 987 93 93 ARG H H 7.416 0.05 1 988 93 93 ARG HA H 4.121 0.05 1 989 93 93 ARG HB2 H 1.883 0.05 1 990 93 93 ARG HB3 H 1.767 0.05 1 991 93 93 ARG HG2 H 1.644 0.05 1 992 93 93 ARG HG3 H 1.513 0.05 1 993 93 93 ARG HD2 H 3.087 0.05 2 994 93 93 ARG HD3 H 3.087 0.05 2 995 93 93 ARG C C 174.737 0.30 1 996 93 93 ARG CA C 57.057 0.30 1 997 93 93 ARG CB C 30.553 0.30 1 998 93 93 ARG CG C 28.018 0.30 1 999 93 93 ARG CD C 43.459 0.30 1 1000 93 93 ARG N N 116.658 0.10 1 1001 94 94 GLU H H 7.579 0.05 1 1002 94 94 GLU HA H 4.034 0.05 1 1003 94 94 GLU HB2 H 1.914 0.05 2 1004 94 94 GLU HB3 H 1.914 0.05 2 1005 94 94 GLU HG2 H 2.371 0.05 2 1006 94 94 GLU HG3 H 2.371 0.05 2 1007 94 94 GLU C C 174.309 0.30 1 1008 94 94 GLU CA C 57.518 0.30 1 1009 94 94 GLU CB C 29.401 0.30 1 1010 94 94 GLU CG C 36.084 0.30 1 1011 94 94 GLU N N 119.228 0.10 1 1012 95 95 ASP H H 8.123 0.05 1 1013 95 95 ASP HA H 4.451 0.05 1 1014 95 95 ASP HB2 H 2.603 0.05 1 1015 95 95 ASP HB3 H 2.502 0.05 1 1016 95 95 ASP CA C 54.752 0.30 1 1017 95 95 ASP CB C 40.694 0.30 1 1018 95 95 ASP N N 119.986 0.10 1 1019 96 96 LEU H H 7.807 0.05 1 1020 96 96 LEU HA H 4.103 0.05 1 1021 96 96 LEU HB2 H 1.464 0.05 1 1022 96 96 LEU HB3 H 1.426 0.05 1 1023 96 96 LEU HG H 1.448 0.05 1 1024 96 96 LEU HD1 H 0.698 0.05 2 1025 96 96 LEU HD2 H 0.615 0.05 2 1026 96 96 LEU CA C 55.674 0.30 1 1027 96 96 LEU CB C 42.077 0.30 1 1028 96 96 LEU CG C 26.866 0.30 1 1029 96 96 LEU CD1 C 25.022 0.30 1 1030 96 96 LEU CD2 C 23.178 0.30 1 1031 96 96 LEU N N 121.301 0.10 1 1032 97 97 VAL H H 7.831 0.05 1 1033 97 97 VAL HA H 3.908 0.05 1 1034 97 97 VAL HB H 1.951 0.05 1 1035 97 97 VAL HG1 H 0.783 0.05 2 1036 97 97 VAL HG2 H 0.783 0.05 2 1037 97 97 VAL C C 173.513 0.30 1 1038 97 97 VAL CA C 62.819 0.30 1 1039 97 97 VAL CB C 32.167 0.30 1 1040 97 97 VAL CG1 C 21.104 0.30 1 1041 97 97 VAL CG2 C 20.874 0.30 1 1042 97 97 VAL N N 119.881 0.10 1 1043 98 98 ARG H H 8.131 0.05 1 1044 98 98 ARG HA H 4.225 0.05 1 1045 98 98 ARG HB2 H 1.711 0.05 1 1046 98 98 ARG HB3 H 1.640 0.05 1 1047 98 98 ARG HG2 H 1.508 0.05 2 1048 98 98 ARG HG3 H 1.508 0.05 2 1049 98 98 ARG HD2 H 3.057 0.05 2 1050 98 98 ARG HD3 H 3.057 0.05 2 1051 98 98 ARG C C 173.247 0.30 1 1052 98 98 ARG CA C 55.905 0.30 1 1053 98 98 ARG CB C 31.014 0.30 1 1054 98 98 ARG CG C 26.866 0.30 1 1055 98 98 ARG CD C 43.229 0.30 1 1056 98 98 ARG N N 124.145 0.10 1 1057 99 99 ASP H H 8.267 0.05 1 1058 99 99 ASP HA H 4.524 0.05 1 1059 99 99 ASP HB2 H 2.587 0.05 1 1060 99 99 ASP HB3 H 2.508 0.05 1 1061 99 99 ASP CA C 54.522 0.30 1 1062 99 99 ASP CB C 41.155 0.30 1 1063 99 99 ASP N N 121.253 0.10 1 1064 100 100 THR H H 7.958 0.05 1 1065 100 100 THR HA H 4.246 0.05 1 1066 100 100 THR HB H 4.095 0.05 1 1067 100 100 THR HG2 H 1.064 0.05 1 1068 100 100 THR C C 171.526 0.30 1 1069 100 100 THR CA C 61.666 0.30 1 1070 100 100 THR CB C 69.963 0.30 1 1071 100 100 THR CG2 C 21.565 0.30 1 1072 100 100 THR N N 114.142 0.10 1 1073 101 101 VAL H H 8.088 0.05 1 1074 101 101 VAL HA H 4.044 0.05 1 1075 101 101 VAL HB H 1.980 0.05 1 1076 101 101 VAL HG1 H 0.817 0.05 2 1077 101 101 VAL HG2 H 0.861 0.05 2 1078 101 101 VAL C C 172.531 0.30 1 1079 101 101 VAL CA C 62.127 0.30 1 1080 101 101 VAL CB C 32.627 0.30 1 1081 101 101 VAL CG1 C 20.874 0.30 1 1082 101 101 VAL N N 122.726 0.10 1 1083 102 102 GLU H H 7.962 0.05 1 1084 102 102 GLU C C 129.544 0.30 1 1085 102 102 GLU CA C 57.986 0.30 1 1086 102 102 GLU CB C 30.988 0.30 1 1087 102 102 GLU CG C 36.770 0.30 1 1088 102 102 GLU N N 181.029 0.10 1 stop_ save_