data_16263 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and sidechain 1H, 15N and 13C assignments of the NLRP7 Pyrin domain ; _BMRB_accession_number 16263 _BMRB_flat_file_name bmr16263.str _Entry_type original _Submission_date 2009-04-24 _Accession_date 2009-04-24 _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 . . 2 Ehart Angela . . 3 Ebner Nina . . 4 Schwarzenbacher Robert . . 5 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" 595 "13C chemical shifts" 417 "15N chemical shifts" 101 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-15 update BMRB 'add related PDB ID' 2009-11-13 update BMRB 'complete entry citation' 2009-07-23 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_Citation_NLRP7_Pyd _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone and sidechain (1)H, (15)N and (13)C assignments of the NLRP7 pyrin domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19888692 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'de Sa Pinheiro' Anderson . . 2 Ehart Angela . . 3 Ebner Nina . . 4 Proell Martina . . 5 Schwarzenbacher Robert . . 6 Peti Wolfgang . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 3 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 207 _Page_last 209 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NLRP7 Pyd monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label subunit_1 $NLRP7_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_NLRP7_Pyd _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NLRP7_Pyd _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; GHMTSPQLEWTLQTLLEQLN EDELKSFKSLLWAFPLEDVL QKTPWSEVEEADGKKLAEIL VNTSSENWIRNATVNILEEM NLTELCKMAKAEMMEDGQLE HHHHHH ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 MET 4 THR 5 SER 6 PRO 7 GLN 8 LEU 9 GLU 10 TRP 11 THR 12 LEU 13 GLN 14 THR 15 LEU 16 LEU 17 GLU 18 GLN 19 LEU 20 ASN 21 GLU 22 ASP 23 GLU 24 LEU 25 LYS 26 SER 27 PHE 28 LYS 29 SER 30 LEU 31 LEU 32 TRP 33 ALA 34 PHE 35 PRO 36 LEU 37 GLU 38 ASP 39 VAL 40 LEU 41 GLN 42 LYS 43 THR 44 PRO 45 TRP 46 SER 47 GLU 48 VAL 49 GLU 50 GLU 51 ALA 52 ASP 53 GLY 54 LYS 55 LYS 56 LEU 57 ALA 58 GLU 59 ILE 60 LEU 61 VAL 62 ASN 63 THR 64 SER 65 SER 66 GLU 67 ASN 68 TRP 69 ILE 70 ARG 71 ASN 72 ALA 73 THR 74 VAL 75 ASN 76 ILE 77 LEU 78 GLU 79 GLU 80 MET 81 ASN 82 LEU 83 THR 84 GLU 85 LEU 86 CYS 87 LYS 88 MET 89 ALA 90 LYS 91 ALA 92 GLU 93 MET 94 MET 95 GLU 96 ASP 97 GLY 98 GLN 99 LEU 100 GLU 101 HIS 102 HIS 103 HIS 104 HIS 105 HIS 106 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-22 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 2KM6 "Nmr Structure Of The Nlrp7 Pyrin Domain" 100.00 106 100.00 100.00 9.45e-69 DBJ BAG63894 "unnamed protein product [Homo sapiens]" 92.45 1065 97.96 100.00 4.53e-55 GB AAI09125 "NLRP7 protein [Homo sapiens]" 92.45 963 97.96 100.00 3.52e-55 GB AAI09126 "NLRP7 protein [Homo sapiens]" 92.45 1037 97.96 100.00 5.21e-55 GB AAL69963 "PYRIN-containing Apaf1-like protein 3 [Homo sapiens]" 92.45 980 97.96 100.00 3.52e-55 GB AAO18158 "NALP7 [Homo sapiens]" 92.45 980 97.96 100.00 3.52e-55 GB AIC57936 "NLRP7, partial [synthetic construct]" 92.45 1037 97.96 100.00 5.21e-55 REF NP_001120727 "NACHT, LRR and PYD domains-containing protein 7 isoform 3 [Homo sapiens]" 92.45 1037 97.96 100.00 5.16e-55 REF NP_631915 "NACHT, LRR and PYD domains-containing protein 7 isoform 1 [Homo sapiens]" 92.45 1009 97.96 100.00 4.12e-55 REF NP_996611 "NACHT, LRR and PYD domains-containing protein 7 isoform 2 [Homo sapiens]" 92.45 980 97.96 100.00 3.52e-55 REF XP_004061498 "PREDICTED: NACHT, LRR and PYD domains-containing protein 7 [Gorilla gorilla gorilla]" 92.45 1065 96.94 98.98 4.94e-54 REF XP_006723138 "PREDICTED: NACHT, LRR and PYD domains-containing protein 7 isoform X2 [Homo sapiens]" 92.45 1037 97.96 100.00 5.16e-55 SP Q8WX94 "RecName: Full=NACHT, LRR and PYD domains-containing protein 7; AltName: Full=Nucleotide-binding oligomerization domain protein " 92.45 980 97.96 100.00 3.52e-55 TPG DAA01246 "TPA_inf: NOD12 [Homo sapiens]" 92.45 1009 96.94 100.00 2.13e-54 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NLRP7_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 $NLRP7_Pyd 'recombinant technology' . Escherichia coli . 'pHis parallel' 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 $NLRP7_Pyd 1.0 mM '[U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' TCEP 0.25 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NLRP7_Pyd 1.0 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' TCEP 0.25 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NLRP7_Pyd 1.0 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' TCEP 0.25 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance II' _Field_strength 500 _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_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 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_DQF-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-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' 0.05 . M pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_IUPAC-IUB_Chemical_Shift_Reference_Ratios _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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $IUPAC-IUB_Chemical_Shift_Reference_Ratios _Mol_system_component_name subunit_1 _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 8.791 0.010 . 2 3 3 MET HA H 4.421 0.015 . 3 3 3 MET HB2 H 1.951 0.015 . 4 3 3 MET HB3 H 1.832 0.015 . 5 3 3 MET HG2 H 2.418 0.015 . 6 3 3 MET HG3 H 2.340 0.015 . 7 3 3 MET C C 176.179 0.070 . 8 3 3 MET CA C 55.469 0.250 . 9 3 3 MET CB C 34.159 0.250 . 10 3 3 MET CG C 32.244 0.250 . 11 3 3 MET N N 123.173 0.050 . 12 4 4 THR H H 8.191 0.010 . 13 4 4 THR HA H 4.266 0.015 . 14 4 4 THR HB H 4.235 0.015 . 15 4 4 THR HG2 H 1.122 0.015 . 16 4 4 THR C C 174.746 0.070 . 17 4 4 THR CA C 61.455 0.250 . 18 4 4 THR CB C 70.075 0.250 . 19 4 4 THR CG2 C 21.828 0.250 . 20 4 4 THR N N 114.625 0.050 . 21 5 5 SER H H 8.821 0.010 . 22 5 5 SER HA H 4.508 0.015 . 23 5 5 SER HB2 H 3.852 0.015 . 24 5 5 SER HB3 H 3.852 0.015 . 25 5 5 SER CA C 59.779 0.250 . 26 5 5 SER CB C 62.174 0.250 . 27 5 5 SER N N 118.158 0.050 . 28 6 6 PRO HA H 4.265 0.015 . 29 6 6 PRO HB2 H 2.155 0.015 . 30 6 6 PRO HB3 H 1.654 0.015 . 31 6 6 PRO HD2 H 3.697 0.015 . 32 6 6 PRO HD3 H 3.697 0.015 . 33 6 6 PRO HG2 H 1.875 0.015 . 34 6 6 PRO HG3 H 1.845 0.015 . 35 6 6 PRO C C 178.918 0.070 . 36 6 6 PRO CA C 64.808 0.250 . 37 6 6 PRO CB C 31.526 0.250 . 38 6 6 PRO CD C 50.441 0.250 . 39 6 6 PRO CG C 27.695 0.250 . 40 7 7 GLN H H 7.687 0.010 . 41 7 7 GLN HA H 4.030 0.015 . 42 7 7 GLN HB2 H 1.972 0.015 . 43 7 7 GLN HB3 H 1.972 0.015 . 44 7 7 GLN HE21 H 7.561 0.015 . 45 7 7 GLN HE22 H 6.870 0.015 . 46 7 7 GLN HG2 H 2.279 0.015 . 47 7 7 GLN HG3 H 2.279 0.015 . 48 7 7 GLN C C 178.418 0.070 . 49 7 7 GLN CA C 58.103 0.250 . 50 7 7 GLN CB C 28.413 0.250 . 51 7 7 GLN CG C 33.680 0.250 . 52 7 7 GLN N N 118.063 0.050 . 53 7 7 GLN NE2 N 113.721 0.050 . 54 8 8 LEU H H 8.316 0.010 . 55 8 8 LEU HA H 4.053 0.015 . 56 8 8 LEU HB2 H 1.792 0.015 . 57 8 8 LEU HB3 H 1.490 0.015 . 58 8 8 LEU HD1 H 0.888 0.015 . 59 8 8 LEU HD2 H 0.862 0.015 . 60 8 8 LEU HG H 1.442 0.015 . 61 8 8 LEU C C 177.909 0.070 . 62 8 8 LEU CA C 57.864 0.250 . 63 8 8 LEU CB C 41.343 0.250 . 64 8 8 LEU CD1 C 26.258 0.250 . 65 8 8 LEU CD2 C 23.145 0.250 . 66 8 8 LEU CG C 26.737 0.250 . 67 8 8 LEU N N 123.533 0.050 . 68 9 9 GLU H H 8.492 0.010 . 69 9 9 GLU HA H 3.525 0.015 . 70 9 9 GLU HB2 H 1.987 0.015 . 71 9 9 GLU HB3 H 1.987 0.015 . 72 9 9 GLU HG2 H 2.079 0.015 . 73 9 9 GLU HG3 H 2.079 0.015 . 74 9 9 GLU C C 177.587 0.070 . 75 9 9 GLU CA C 60.498 0.250 . 76 9 9 GLU CB C 28.892 0.250 . 77 9 9 GLU CG C 34.878 0.250 . 78 9 9 GLU N N 118.753 0.050 . 79 10 10 TRP H H 7.916 0.010 . 80 10 10 TRP HA H 4.205 0.015 . 81 10 10 TRP HB2 H 3.246 0.015 . 82 10 10 TRP HB3 H 3.188 0.015 . 83 10 10 TRP HD1 H 7.049 0.010 . 84 10 10 TRP HE1 H 9.856 0.010 . 85 10 10 TRP HE3 H 7.397 0.010 . 86 10 10 TRP HH2 H 7.234 0.010 . 87 10 10 TRP HZ2 H 6.985 0.010 . 88 10 10 TRP HZ3 H 6.907 0.010 . 89 10 10 TRP C C 178.732 0.070 . 90 10 10 TRP CA C 60.019 0.250 . 91 10 10 TRP CB C 28.892 0.250 . 92 10 10 TRP N N 118.920 0.050 . 93 11 11 THR H H 8.399 0.010 . 94 11 11 THR HA H 3.447 0.015 . 95 11 11 THR HB H 4.150 0.015 . 96 11 11 THR HG2 H 0.984 0.015 . 97 11 11 THR C C 176.043 0.070 . 98 11 11 THR CA C 66.963 0.250 . 99 11 11 THR CB C 68.639 0.250 . 100 11 11 THR CG2 C 21.469 0.250 . 101 11 11 THR N N 118.372 0.050 . 102 12 12 LEU H H 8.465 0.010 . 103 12 12 LEU HA H 3.730 0.015 . 104 12 12 LEU HB2 H 1.559 0.015 . 105 12 12 LEU HB3 H 1.377 0.015 . 106 12 12 LEU HD1 H 0.764 0.015 . 107 12 12 LEU HD2 H 0.750 0.015 . 108 12 12 LEU HG H 1.465 0.015 . 109 12 12 LEU C C 177.748 0.070 . 110 12 12 LEU CA C 57.864 0.250 . 111 12 12 LEU CB C 42.540 0.250 . 112 12 12 LEU CD1 C 25.061 0.250 . 113 12 12 LEU CD2 C 25.061 0.250 . 114 12 12 LEU CG C 26.737 0.250 . 115 12 12 LEU N N 120.608 0.050 . 116 13 13 GLN H H 8.575 0.010 . 117 13 13 GLN HA H 3.354 0.015 . 118 13 13 GLN HB2 H 1.947 0.015 . 119 13 13 GLN HB3 H 1.785 0.015 . 120 13 13 GLN HE21 H 7.569 0.015 . 121 13 13 GLN HE22 H 6.674 0.015 . 122 13 13 GLN HG2 H 1.951 0.015 . 123 13 13 GLN HG3 H 1.951 0.015 . 124 13 13 GLN C C 177.002 0.070 . 125 13 13 GLN CA C 60.019 0.250 . 126 13 13 GLN CB C 27.216 0.250 . 127 13 13 GLN CG C 33.202 0.250 . 128 13 13 GLN N N 119.325 0.050 . 129 13 13 GLN NE2 N 111.279 0.050 . 130 14 14 THR H H 7.691 0.010 . 131 14 14 THR HA H 3.528 0.015 . 132 14 14 THR HB H 3.748 0.015 . 133 14 14 THR HG2 H 0.617 0.015 . 134 14 14 THR C C 177.010 0.070 . 135 14 14 THR CA C 65.526 0.250 . 136 14 14 THR CB C 68.639 0.250 . 137 14 14 THR CG2 C 20.990 0.250 . 138 14 14 THR N N 112.120 0.050 . 139 15 15 LEU H H 7.414 0.010 . 140 15 15 LEU HA H 3.816 0.015 . 141 15 15 LEU HB2 H 1.665 0.015 . 142 15 15 LEU HB3 H 1.030 0.015 . 143 15 15 LEU HD1 H 0.560 0.015 . 144 15 15 LEU HD2 H 0.544 0.015 . 145 15 15 LEU HG H 1.623 0.015 . 146 15 15 LEU C C 178.028 0.070 . 147 15 15 LEU CA C 58.103 0.250 . 148 15 15 LEU CB C 42.540 0.250 . 149 15 15 LEU CD1 C 26.258 0.250 . 150 15 15 LEU CD2 C 23.624 0.250 . 151 15 15 LEU CG C 26.258 0.250 . 152 15 15 LEU N N 121.418 0.050 . 153 16 16 LEU H H 8.301 0.010 . 154 16 16 LEU HA H 3.537 0.015 . 155 16 16 LEU HB2 H 1.527 0.015 . 156 16 16 LEU HB3 H 0.810 0.015 . 157 16 16 LEU HD1 H 0.447 0.015 . 158 16 16 LEU HD2 H -0.266 0.015 . 159 16 16 LEU HG H 1.496 0.015 . 160 16 16 LEU C C 180.665 0.070 . 161 16 16 LEU CA C 57.146 0.250 . 162 16 16 LEU CB C 41.223 0.250 . 163 16 16 LEU CD1 C 25.540 0.250 . 164 16 16 LEU CD2 C 20.751 0.250 . 165 16 16 LEU CG C 26.497 0.250 . 166 16 16 LEU N N 115.640 0.050 . 167 17 17 GLU H H 8.117 0.010 . 168 17 17 GLU HA H 3.984 0.015 . 169 17 17 GLU HB2 H 1.895 0.015 . 170 17 17 GLU HB3 H 1.895 0.015 . 171 17 17 GLU HG2 H 2.294 0.015 . 172 17 17 GLU HG3 H 2.096 0.015 . 173 17 17 GLU C C 176.764 0.070 . 174 17 17 GLU CA C 58.103 0.250 . 175 17 17 GLU CB C 29.131 0.250 . 176 17 17 GLU CG C 37.272 0.250 . 177 17 17 GLU N N 116.538 0.050 . 178 18 18 GLN H H 7.260 0.010 . 179 18 18 GLN HA H 4.055 0.015 . 180 18 18 GLN HB2 H 2.149 0.015 . 181 18 18 GLN HB3 H 2.011 0.015 . 182 18 18 GLN HE21 H 7.260 0.015 . 183 18 18 GLN HE22 H 6.506 0.015 . 184 18 18 GLN HG2 H 2.317 0.015 . 185 18 18 GLN HG3 H 2.248 0.015 . 186 18 18 GLN C C 176.255 0.070 . 187 18 18 GLN CA C 56.188 0.250 . 188 18 18 GLN CB C 29.131 0.250 . 189 18 18 GLN CG C 34.399 0.250 . 190 18 18 GLN N N 115.445 0.050 . 191 18 18 GLN NE2 N 112.403 0.050 . 192 19 19 LEU H H 6.934 0.010 . 193 19 19 LEU HA H 4.334 0.015 . 194 19 19 LEU HB2 H 1.714 0.015 . 195 19 19 LEU HB3 H 1.293 0.015 . 196 19 19 LEU HD1 H 0.424 0.015 . 197 19 19 LEU HD2 H 0.420 0.015 . 198 19 19 LEU HG H 1.575 0.015 . 199 19 19 LEU C C 177.358 0.070 . 200 19 19 LEU CA C 54.272 0.250 . 201 19 19 LEU CB C 40.864 0.250 . 202 19 19 LEU CD1 C 26.258 0.250 . 203 19 19 LEU CD2 C 23.145 0.250 . 204 19 19 LEU CG C 26.258 0.250 . 205 19 19 LEU N N 119.559 0.050 . 206 20 20 ASN H H 9.164 0.010 . 207 20 20 ASN HA H 4.546 0.015 . 208 20 20 ASN HB2 H 3.233 0.015 . 209 20 20 ASN HB3 H 2.799 0.015 . 210 20 20 ASN HD21 H 7.311 0.015 . 211 20 20 ASN HD22 H 6.876 0.015 . 212 20 20 ASN C C 174.780 0.070 . 213 20 20 ASN CA C 51.399 0.250 . 214 20 20 ASN CB C 37.272 0.250 . 215 20 20 ASN N N 122.595 0.050 . 216 20 20 ASN ND2 N 111.113 0.050 . 217 21 21 GLU H H 8.442 0.010 . 218 21 21 GLU HA H 3.845 0.015 . 219 21 21 GLU HB2 H 1.920 0.015 . 220 21 21 GLU HB3 H 1.920 0.015 . 221 21 21 GLU HG2 H 2.235 0.015 . 222 21 21 GLU HG3 H 2.171 0.015 . 223 21 21 GLU C C 179.300 0.070 . 224 21 21 GLU CA C 60.498 0.250 . 225 21 21 GLU CB C 29.371 0.250 . 226 21 21 GLU CG C 36.314 0.250 . 227 21 21 GLU N N 116.544 0.050 . 228 22 22 ASP H H 7.951 0.010 . 229 22 22 ASP HA H 4.333 0.015 . 230 22 22 ASP HB2 H 2.577 0.015 . 231 22 22 ASP HB3 H 2.577 0.015 . 232 22 22 ASP C C 179.147 0.070 . 233 22 22 ASP CA C 57.385 0.250 . 234 22 22 ASP CB C 40.624 0.250 . 235 22 22 ASP N N 119.884 0.050 . 236 23 23 GLU H H 8.624 0.010 . 237 23 23 GLU HA H 3.917 0.015 . 238 23 23 GLU HB2 H 2.157 0.015 . 239 23 23 GLU HB3 H 1.642 0.015 . 240 23 23 GLU HG2 H 2.447 0.015 . 241 23 23 GLU HG3 H 2.447 0.015 . 242 23 23 GLU C C 178.757 0.070 . 243 23 23 GLU CA C 58.343 0.250 . 244 23 23 GLU CB C 30.448 0.250 . 245 23 23 GLU CG C 35.835 0.250 . 246 23 23 GLU N N 122.097 0.050 . 247 24 24 LEU H H 8.980 0.010 . 248 24 24 LEU HA H 3.960 0.015 . 249 24 24 LEU HB2 H 1.808 0.015 . 250 24 24 LEU HB3 H 1.327 0.015 . 251 24 24 LEU HD1 H 0.785 0.015 . 252 24 24 LEU HD2 H 0.668 0.015 . 253 24 24 LEU HG H 1.388 0.015 . 254 24 24 LEU C C 178.503 0.070 . 255 24 24 LEU CA C 58.103 0.250 . 256 24 24 LEU CB C 40.385 0.250 . 257 24 24 LEU CD1 C 24.821 0.250 . 258 24 24 LEU CD2 C 23.145 0.250 . 259 24 24 LEU CG C 26.976 0.250 . 260 24 24 LEU N N 121.454 0.050 . 261 25 25 LYS H H 7.381 0.010 . 262 25 25 LYS HA H 3.911 0.015 . 263 25 25 LYS HB2 H 1.931 0.015 . 264 25 25 LYS HB3 H 1.931 0.015 . 265 25 25 LYS HD2 H 1.642 0.015 . 266 25 25 LYS HD3 H 1.642 0.015 . 267 25 25 LYS HE2 H 2.886 0.015 . 268 25 25 LYS HE3 H 2.886 0.015 . 269 25 25 LYS HG2 H 1.641 0.015 . 270 25 25 LYS HG3 H 1.397 0.015 . 271 25 25 LYS C C 180.029 0.070 . 272 25 25 LYS CA C 60.498 0.250 . 273 25 25 LYS CB C 32.483 0.250 . 274 25 25 LYS CD C 29.610 0.250 . 275 25 25 LYS CE C 42.061 0.250 . 276 25 25 LYS CG C 25.540 0.250 . 277 25 25 LYS N N 118.455 0.050 . 278 26 26 SER H H 8.031 0.010 . 279 26 26 SER HA H 4.149 0.015 . 280 26 26 SER HB2 H 4.009 0.015 . 281 26 26 SER HB3 H 3.857 0.015 . 282 26 26 SER C C 175.441 0.070 . 283 26 26 SER CA C 62.174 0.250 . 284 26 26 SER CB C 62.413 0.250 . 285 26 26 SER N N 116.910 0.050 . 286 27 27 PHE H H 8.978 0.010 . 287 27 27 PHE HA H 3.868 0.015 . 288 27 27 PHE HB2 H 3.268 0.015 . 289 27 27 PHE HB3 H 2.821 0.015 . 290 27 27 PHE C C 177.324 0.070 . 291 27 27 PHE CA C 61.455 0.250 . 292 27 27 PHE CB C 39.666 0.250 . 293 27 27 PHE N N 123.252 0.050 . 294 28 28 LYS H H 8.131 0.010 . 295 28 28 LYS HA H 3.820 0.015 . 296 28 28 LYS HB2 H 2.030 0.015 . 297 28 28 LYS HB3 H 1.852 0.015 . 298 28 28 LYS HD2 H 1.629 0.015 . 299 28 28 LYS HD3 H 1.219 0.015 . 300 28 28 LYS HE2 H 2.794 0.015 . 301 28 28 LYS HE3 H 2.358 0.015 . 302 28 28 LYS HG2 H 1.753 0.015 . 303 28 28 LYS HG3 H 0.962 0.015 . 304 28 28 LYS C C 177.943 0.070 . 305 28 28 LYS CA C 60.498 0.250 . 306 28 28 LYS CB C 33.920 0.250 . 307 28 28 LYS CD C 31.526 0.250 . 308 28 28 LYS CE C 42.061 0.250 . 309 28 28 LYS CG C 27.216 0.250 . 310 28 28 LYS N N 116.257 0.050 . 311 29 29 SER H H 7.927 0.010 . 312 29 29 SER HA H 4.127 0.015 . 313 29 29 SER HB2 H 3.900 0.015 . 314 29 29 SER HB3 H 3.900 0.015 . 315 29 29 SER C C 177.570 0.070 . 316 29 29 SER CA C 61.934 0.250 . 317 29 29 SER CB C 62.653 0.250 . 318 29 29 SER N N 113.769 0.050 . 319 30 30 LEU H H 8.187 0.010 . 320 30 30 LEU HA H 3.984 0.015 . 321 30 30 LEU HB2 H 1.671 0.015 . 322 30 30 LEU HB3 H 1.118 0.015 . 323 30 30 LEU HD1 H 0.693 0.015 . 324 30 30 LEU HD2 H 0.674 0.015 . 325 30 30 LEU HG H 1.642 0.015 . 326 30 30 LEU C C 179.961 0.070 . 327 30 30 LEU CA C 57.624 0.250 . 328 30 30 LEU CB C 41.821 0.250 . 329 30 30 LEU CD1 C 25.779 0.250 . 330 30 30 LEU CD2 C 22.427 0.250 . 331 30 30 LEU CG C 27.455 0.250 . 332 30 30 LEU N N 123.154 0.050 . 333 31 31 LEU H H 8.455 0.010 . 334 31 31 LEU HA H 3.739 0.015 . 335 31 31 LEU HB2 H 2.165 0.015 . 336 31 31 LEU HB3 H 1.394 0.015 . 337 31 31 LEU HD1 H 1.022 0.015 . 338 31 31 LEU HD2 H 0.781 0.015 . 339 31 31 LEU HG H 1.787 0.015 . 340 31 31 LEU C C 177.773 0.070 . 341 31 31 LEU CA C 58.103 0.250 . 342 31 31 LEU CB C 42.300 0.250 . 343 31 31 LEU CD1 C 26.258 0.250 . 344 31 31 LEU CD2 C 24.342 0.250 . 345 31 31 LEU CG C 26.497 0.250 . 346 31 31 LEU N N 122.270 0.050 . 347 32 32 TRP H H 7.928 0.010 . 348 32 32 TRP HA H 4.277 0.015 . 349 32 32 TRP HB2 H 3.256 0.015 . 350 32 32 TRP HB3 H 3.068 0.015 . 351 32 32 TRP HD1 H 6.648 0.010 . 352 32 32 TRP HE1 H 9.786 0.010 . 353 32 32 TRP HE3 H 7.186 0.010 . 354 32 32 TRP HH2 H 7.120 0.010 . 355 32 32 TRP HZ2 H 7.452 0.010 . 356 32 32 TRP HZ3 H 6.788 0.010 . 357 32 32 TRP C C 176.357 0.070 . 358 32 32 TRP CA C 58.822 0.250 . 359 32 32 TRP CB C 30.089 0.250 . 360 32 32 TRP N N 116.231 0.050 . 361 33 33 ALA H H 7.156 0.010 . 362 33 33 ALA HA H 4.205 0.015 . 363 33 33 ALA HB H 1.309 0.015 . 364 33 33 ALA C C 177.502 0.070 . 365 33 33 ALA CA C 51.399 0.250 . 366 33 33 ALA CB C 19.314 0.250 . 367 33 33 ALA N N 117.432 0.050 . 368 34 34 PHE H H 7.745 0.010 . 369 34 34 PHE HA H 4.382 0.015 . 370 34 34 PHE HB2 H 3.372 0.015 . 371 34 34 PHE HB3 H 2.964 0.015 . 372 34 34 PHE HD1 H 7.316 0.010 . 373 34 34 PHE HD2 H 7.316 0.010 . 374 34 34 PHE HE1 H 6.000 0.010 . 375 34 34 PHE HE2 H 6.000 0.010 . 376 34 34 PHE HZ H 6.750 0.010 . 377 34 34 PHE C C 173.813 0.070 . 378 34 34 PHE CA C 57.146 0.250 . 379 34 34 PHE CB C 39.666 0.250 . 380 34 34 PHE N N 124.502 0.050 . 381 35 35 PRO HA H 4.275 0.015 . 382 35 35 PRO HB2 H 1.993 0.015 . 383 35 35 PRO HB3 H 1.872 0.015 . 384 35 35 PRO HD2 H 3.380 0.015 . 385 35 35 PRO HD3 H 2.760 0.015 . 386 35 35 PRO HG2 H 1.859 0.015 . 387 35 35 PRO HG3 H 1.713 0.015 . 388 35 35 PRO C C 176.357 0.070 . 389 35 35 PRO CA C 63.131 0.250 . 390 35 35 PRO CB C 30.089 0.250 . 391 35 35 PRO CD C 49.962 0.250 . 392 35 35 PRO CG C 27.695 0.250 . 393 36 36 LEU H H 8.032 0.010 . 394 36 36 LEU HA H 4.054 0.015 . 395 36 36 LEU HB2 H 1.330 0.015 . 396 36 36 LEU HB3 H 0.971 0.015 . 397 36 36 LEU HD1 H 0.047 0.015 . 398 36 36 LEU HD2 H 0.665 0.015 . 399 36 36 LEU HG H 1.646 0.015 . 400 36 36 LEU C C 178.189 0.070 . 401 36 36 LEU CA C 54.272 0.250 . 402 36 36 LEU CB C 43.258 0.250 . 403 36 36 LEU CD1 C 24.821 0.250 . 404 36 36 LEU CD2 C 22.666 0.250 . 405 36 36 LEU CG C 25.779 0.250 . 406 36 36 LEU N N 126.564 0.050 . 407 37 37 GLU H H 7.983 0.010 . 408 37 37 GLU HA H 3.992 0.015 . 409 37 37 GLU HB2 H 1.845 0.015 . 410 37 37 GLU HB3 H 1.618 0.015 . 411 37 37 GLU HG2 H 1.885 0.015 . 412 37 37 GLU HG3 H 1.682 0.015 . 413 37 37 GLU C C 177.086 0.070 . 414 37 37 GLU CA C 56.427 0.250 . 415 37 37 GLU CB C 29.371 0.250 . 416 37 37 GLU CG C 36.314 0.250 . 417 37 37 GLU N N 120.786 0.050 . 418 38 38 ASP HA H 4.012 0.015 . 419 38 38 ASP HB2 H 2.400 0.015 . 420 38 38 ASP HB3 H 2.400 0.015 . 421 38 38 ASP C C 177.205 0.070 . 422 38 38 ASP CA C 57.385 0.250 . 423 38 38 ASP CB C 41.582 0.250 . 424 39 39 VAL H H 8.014 0.010 . 425 39 39 VAL HA H 3.468 0.015 . 426 39 39 VAL HB H 2.040 0.015 . 427 39 39 VAL HG1 H 0.855 0.015 . 428 39 39 VAL HG2 H 0.757 0.015 . 429 39 39 VAL CA C 66.005 0.250 . 430 39 39 VAL CB C 31.047 0.250 . 431 39 39 VAL CG1 C 22.187 0.250 . 432 39 39 VAL CG2 C 21.709 0.250 . 433 39 39 VAL N N 116.649 0.050 . 434 40 40 LEU HA H 4.091 0.015 . 435 40 40 LEU HB2 H 1.376 0.015 . 436 40 40 LEU HB3 H 1.110 0.015 . 437 40 40 LEU HD1 H 0.625 0.015 . 438 40 40 LEU HD2 H 0.859 0.015 . 439 40 40 LEU HG H 1.508 0.015 . 440 40 40 LEU C C 178.053 0.070 . 441 40 40 LEU CA C 56.906 0.250 . 442 40 40 LEU CB C 39.906 0.250 . 443 40 40 LEU CD1 C 26.258 0.250 . 444 40 40 LEU CD2 C 22.666 0.250 . 445 40 40 LEU CG C 26.258 0.250 . 446 41 41 GLN H H 7.819 0.010 . 447 41 41 GLN HA H 3.669 0.015 . 448 41 41 GLN HB2 H 1.949 0.015 . 449 41 41 GLN HB3 H 1.774 0.015 . 450 41 41 GLN HE21 H 7.163 0.015 . 451 41 41 GLN HE22 H 6.512 0.015 . 452 41 41 GLN HG2 H 2.119 0.015 . 453 41 41 GLN HG3 H 2.119 0.015 . 454 41 41 GLN C C 176.917 0.070 . 455 41 41 GLN CA C 57.864 0.250 . 456 41 41 GLN CB C 28.413 0.250 . 457 41 41 GLN CG C 33.920 0.250 . 458 41 41 GLN N N 117.072 0.050 . 459 41 41 GLN NE2 N 111.569 0.050 . 460 42 42 LYS HA H 4.124 0.015 . 461 42 42 LYS HB2 H 1.880 0.015 . 462 42 42 LYS HB3 H 1.621 0.015 . 463 42 42 LYS HD2 H 1.461 0.015 . 464 42 42 LYS HD3 H 1.461 0.015 . 465 42 42 LYS HE2 H 2.789 0.015 . 466 42 42 LYS HE3 H 2.789 0.015 . 467 42 42 LYS HG2 H 1.379 0.015 . 468 42 42 LYS HG3 H 1.261 0.015 . 469 42 42 LYS C C 177.053 0.070 . 470 42 42 LYS CA C 56.188 0.250 . 471 42 42 LYS CB C 32.723 0.250 . 472 42 42 LYS CD C 29.131 0.250 . 473 42 42 LYS CE C 42.061 0.250 . 474 42 42 LYS CG C 25.061 0.250 . 475 43 43 THR H H 7.952 0.010 . 476 43 43 THR HA H 4.266 0.015 . 477 43 43 THR HB H 4.396 0.015 . 478 43 43 THR HG2 H 1.057 0.015 . 479 43 43 THR C C 179.902 0.070 . 480 43 43 THR CA C 61.695 0.250 . 481 43 43 THR CB C 70.554 0.250 . 482 43 43 THR CG2 C 19.554 0.250 . 483 43 43 THR N N 122.395 0.050 . 484 44 44 PRO HA H 4.382 0.015 . 485 44 44 PRO HB2 H 2.278 0.015 . 486 44 44 PRO HB3 H 1.847 0.015 . 487 44 44 PRO HD2 H 3.910 0.015 . 488 44 44 PRO HD3 H 3.576 0.015 . 489 44 44 PRO HG2 H 2.001 0.015 . 490 44 44 PRO HG3 H 1.898 0.015 . 491 44 44 PRO C C 177.773 0.070 . 492 44 44 PRO CA C 62.892 0.250 . 493 44 44 PRO CB C 32.004 0.250 . 494 44 44 PRO CD C 50.920 0.250 . 495 44 44 PRO CG C 27.695 0.250 . 496 45 45 TRP H H 8.853 0.010 . 497 45 45 TRP HA H 3.868 0.015 . 498 45 45 TRP HB2 H 3.167 0.015 . 499 45 45 TRP HB3 H 2.881 0.015 . 500 45 45 TRP HD1 H 6.801 0.010 . 501 45 45 TRP HE1 H 9.532 0.010 . 502 45 45 TRP HE3 H 6.011 0.010 . 503 45 45 TRP HH2 H 6.788 0.010 . 504 45 45 TRP HZ2 H 7.219 0.010 . 505 45 45 TRP HZ3 H 6.396 0.010 . 506 45 45 TRP C C 177.019 0.070 . 507 45 45 TRP CA C 59.061 0.250 . 508 45 45 TRP CB C 29.131 0.250 . 509 45 45 TRP N N 126.239 0.050 . 510 46 46 SER H H 8.410 0.010 . 511 46 46 SER HA H 3.675 0.015 . 512 46 46 SER HB2 H 3.684 0.015 . 513 46 46 SER HB3 H 3.684 0.015 . 514 46 46 SER C C 176.196 0.070 . 515 46 46 SER CA C 60.977 0.250 . 516 46 46 SER CB C 61.455 0.250 . 517 46 46 SER N N 111.980 0.050 . 518 47 47 GLU H H 7.132 0.010 . 519 47 47 GLU HA H 3.773 0.015 . 520 47 47 GLU HB2 H 1.807 0.015 . 521 47 47 GLU HB3 H 1.807 0.015 . 522 47 47 GLU HG2 H 2.124 0.015 . 523 47 47 GLU HG3 H 2.000 0.015 . 524 47 47 GLU C C 178.511 0.070 . 525 47 47 GLU CA C 58.582 0.250 . 526 47 47 GLU CB C 29.371 0.250 . 527 47 47 GLU CG C 36.314 0.250 . 528 47 47 GLU N N 120.189 0.050 . 529 48 48 VAL H H 6.620 0.010 . 530 48 48 VAL HA H 2.962 0.015 . 531 48 48 VAL HB H 1.121 0.015 . 532 48 48 VAL HG1 H 0.452 0.015 . 533 48 48 VAL HG2 H 0.241 0.015 . 534 48 48 VAL C C 177.977 0.070 . 535 48 48 VAL CA C 65.286 0.250 . 536 48 48 VAL CB C 30.807 0.250 . 537 48 48 VAL CG1 C 21.828 0.250 . 538 48 48 VAL CG2 C 20.511 0.250 . 539 48 48 VAL N N 119.221 0.050 . 540 49 49 GLU H H 8.119 0.010 . 541 49 49 GLU HA H 3.010 0.015 . 542 49 49 GLU HB2 H 1.461 0.015 . 543 49 49 GLU HB3 H 0.991 0.015 . 544 49 49 GLU HG2 H 1.839 0.015 . 545 49 49 GLU HG3 H 1.767 0.015 . 546 49 49 GLU C C 178.842 0.070 . 547 49 49 GLU CA C 60.258 0.250 . 548 49 49 GLU CB C 28.892 0.250 . 549 49 49 GLU CG C 35.835 0.250 . 550 49 49 GLU N N 120.091 0.050 . 551 50 50 GLU H H 7.178 0.010 . 552 50 50 GLU HA H 3.884 0.015 . 553 50 50 GLU HB2 H 1.861 0.015 . 554 50 50 GLU HB3 H 1.702 0.015 . 555 50 50 GLU HG2 H 2.124 0.015 . 556 50 50 GLU HG3 H 2.124 0.015 . 557 50 50 GLU C C 176.128 0.070 . 558 50 50 GLU CA C 56.307 0.250 . 559 50 50 GLU CB C 29.849 0.250 . 560 50 50 GLU CG C 35.596 0.250 . 561 50 50 GLU N N 114.147 0.050 . 562 51 51 ALA H H 6.677 0.010 . 563 51 51 ALA HA H 3.889 0.015 . 564 51 51 ALA HB H 1.278 0.015 . 565 51 51 ALA C C 178.172 0.070 . 566 51 51 ALA CA C 53.075 0.250 . 567 51 51 ALA CB C 19.314 0.250 . 568 51 51 ALA N N 120.976 0.050 . 569 52 52 ASP H H 7.821 0.010 . 570 52 52 ASP HA H 4.429 0.015 . 571 52 52 ASP HB2 H 2.941 0.015 . 572 52 52 ASP HB3 H 2.675 0.015 . 573 52 52 ASP C C 175.051 0.070 . 574 52 52 ASP CA C 52.117 0.250 . 575 52 52 ASP CB C 39.906 0.250 . 576 52 52 ASP N N 122.297 0.050 . 577 53 53 GLY H H 8.856 0.010 . 578 53 53 GLY HA2 H 3.233 0.015 . 579 53 53 GLY HA3 H 3.174 0.015 . 580 53 53 GLY C C 174.076 0.070 . 581 53 53 GLY CA C 48.047 0.250 . 582 53 53 GLY N N 105.729 0.050 . 583 54 54 LYS H H 7.951 0.010 . 584 54 54 LYS HA H 3.608 0.015 . 585 54 54 LYS HB2 H 1.667 0.015 . 586 54 54 LYS HB3 H 1.667 0.015 . 587 54 54 LYS HD2 H 1.502 0.015 . 588 54 54 LYS HD3 H 1.502 0.015 . 589 54 54 LYS HE2 H 2.830 0.015 . 590 54 54 LYS HE3 H 2.830 0.015 . 591 54 54 LYS HG2 H 1.133 0.015 . 592 54 54 LYS HG3 H 1.133 0.015 . 593 54 54 LYS C C 178.223 0.070 . 594 54 54 LYS CA C 60.019 0.250 . 595 54 54 LYS CB C 32.244 0.250 . 596 54 54 LYS CD C 29.371 0.250 . 597 54 54 LYS CE C 42.061 0.250 . 598 54 54 LYS CG C 24.941 0.250 . 599 54 54 LYS N N 119.884 0.050 . 600 55 55 LYS H H 8.270 0.010 . 601 55 55 LYS HA H 4.065 0.015 . 602 55 55 LYS HB2 H 1.786 0.015 . 603 55 55 LYS HB3 H 1.707 0.015 . 604 55 55 LYS HD2 H 1.682 0.015 . 605 55 55 LYS HD3 H 1.508 0.015 . 606 55 55 LYS HE2 H 2.757 0.015 . 607 55 55 LYS HE3 H 2.757 0.015 . 608 55 55 LYS HG2 H 1.445 0.015 . 609 55 55 LYS HG3 H 1.238 0.015 . 610 55 55 LYS C C 178.274 0.070 . 611 55 55 LYS CA C 57.385 0.250 . 612 55 55 LYS CB C 31.286 0.250 . 613 55 55 LYS CD C 27.934 0.250 . 614 55 55 LYS CE C 42.061 0.250 . 615 55 55 LYS CG C 24.103 0.250 . 616 55 55 LYS N N 120.464 0.050 . 617 56 56 LEU H H 8.976 0.010 . 618 56 56 LEU HA H 3.866 0.015 . 619 56 56 LEU HB2 H 1.790 0.015 . 620 56 56 LEU HB3 H 1.125 0.015 . 621 56 56 LEU HD1 H 0.718 0.015 . 622 56 56 LEU HD2 H 0.816 0.015 . 623 56 56 LEU HG H 1.421 0.015 . 624 56 56 LEU C C 177.621 0.070 . 625 56 56 LEU CA C 57.385 0.250 . 626 56 56 LEU CB C 41.103 0.250 . 627 56 56 LEU CD1 C 27.455 0.250 . 628 56 56 LEU CD2 C 23.624 0.250 . 629 56 56 LEU CG C 26.737 0.250 . 630 56 56 LEU N N 120.142 0.050 . 631 57 57 ALA H H 7.774 0.010 . 632 57 57 ALA HA H 3.704 0.015 . 633 57 57 ALA HB H 1.384 0.015 . 634 57 57 ALA C C 178.257 0.070 . 635 57 57 ALA CA C 55.469 0.250 . 636 57 57 ALA CB C 18.356 0.250 . 637 57 57 ALA N N 120.222 0.050 . 638 58 58 GLU H H 7.402 0.010 . 639 58 58 GLU HA H 3.701 0.015 . 640 58 58 GLU HB2 H 2.061 0.015 . 641 58 58 GLU HB3 H 2.061 0.015 . 642 58 58 GLU HG2 H 2.276 0.015 . 643 58 58 GLU HG3 H 1.963 0.015 . 644 58 58 GLU C C 178.562 0.070 . 645 58 58 GLU CA C 59.300 0.250 . 646 58 58 GLU CB C 29.610 0.250 . 647 58 58 GLU CG C 35.835 0.250 . 648 58 58 GLU N N 116.974 0.050 . 649 59 59 ILE H H 8.527 0.010 . 650 59 59 ILE HA H 3.593 0.015 . 651 59 59 ILE HB H 1.750 0.015 . 652 59 59 ILE HD1 H 0.516 0.015 . 653 59 59 ILE HG12 H 1.732 0.015 . 654 59 59 ILE HG13 H 0.891 0.015 . 655 59 59 ILE HG2 H 0.651 0.015 . 656 59 59 ILE C C 179.927 0.070 . 657 59 59 ILE CA C 65.286 0.250 . 658 59 59 ILE CB C 38.948 0.250 . 659 59 59 ILE CD1 C 14.525 0.250 . 660 59 59 ILE CG1 C 28.652 0.250 . 661 59 59 ILE CG2 C 16.680 0.250 . 662 59 59 ILE N N 119.943 0.050 . 663 60 60 LEU H H 8.476 0.010 . 664 60 60 LEU HA H 3.749 0.015 . 665 60 60 LEU HB2 H 1.972 0.015 . 666 60 60 LEU HB3 H 1.121 0.015 . 667 60 60 LEU HD1 H 0.845 0.015 . 668 60 60 LEU HD2 H 0.940 0.015 . 669 60 60 LEU HG H 1.898 0.015 . 670 60 60 LEU C C 178.248 0.070 . 671 60 60 LEU CA C 59.300 0.250 . 672 60 60 LEU CB C 41.103 0.250 . 673 60 60 LEU CD1 C 25.300 0.250 . 674 60 60 LEU CD2 C 23.385 0.250 . 675 60 60 LEU CG C 27.216 0.250 . 676 60 60 LEU N N 119.369 0.050 . 677 61 61 VAL H H 8.017 0.010 . 678 61 61 VAL HA H 3.818 0.015 . 679 61 61 VAL HB H 2.061 0.015 . 680 61 61 VAL HG1 H 0.894 0.015 . 681 61 61 VAL HG2 H 0.882 0.015 . 682 61 61 VAL C C 178.002 0.070 . 683 61 61 VAL CA C 65.047 0.250 . 684 61 61 VAL CB C 31.286 0.250 . 685 61 61 VAL CG1 C 21.469 0.250 . 686 61 61 VAL CG2 C 21.469 0.250 . 687 61 61 VAL N N 114.544 0.050 . 688 62 62 ASN H H 8.131 0.010 . 689 62 62 ASN HA H 4.522 0.015 . 690 62 62 ASN HB2 H 2.819 0.015 . 691 62 62 ASN HB3 H 2.643 0.015 . 692 62 62 ASN HD21 H 7.556 0.015 . 693 62 62 ASN HD22 H 6.944 0.015 . 694 62 62 ASN C C 176.730 0.070 . 695 62 62 ASN CA C 54.991 0.250 . 696 62 62 ASN CB C 38.948 0.250 . 697 62 62 ASN N N 116.257 0.050 . 698 62 62 ASN ND2 N 112.771 0.050 . 699 63 63 THR H H 7.488 0.010 . 700 63 63 THR HA H 4.238 0.015 . 701 63 63 THR HB H 3.733 0.015 . 702 63 63 THR HG2 H 1.115 0.015 . 703 63 63 THR C C 175.153 0.070 . 704 63 63 THR CA C 62.653 0.250 . 705 63 63 THR CB C 72.230 0.250 . 706 63 63 THR CG2 C 20.990 0.250 . 707 63 63 THR N N 106.395 0.050 . 708 64 64 SER H H 7.727 0.010 . 709 64 64 SER HA H 4.850 0.015 . 710 64 64 SER HB2 H 3.623 0.015 . 711 64 64 SER HB3 H 3.474 0.015 . 712 64 64 SER C C 180.122 0.070 . 713 64 64 SER CA C 58.343 0.250 . 714 64 64 SER CB C 65.765 0.250 . 715 64 64 SER N N 116.685 0.050 . 716 65 65 SER HA H 4.242 0.015 . 717 65 65 SER HB2 H 4.128 0.015 . 718 65 65 SER HB3 H 4.128 0.015 . 719 65 65 SER C C 174.958 0.070 . 720 65 65 SER CA C 58.103 0.250 . 721 65 65 SER CB C 64.329 0.250 . 722 66 66 GLU H H 8.931 0.010 . 723 66 66 GLU HA H 3.737 0.015 . 724 66 66 GLU HB2 H 2.101 0.015 . 725 66 66 GLU HB3 H 1.948 0.015 . 726 66 66 GLU HG2 H 2.342 0.015 . 727 66 66 GLU HG3 H 2.342 0.015 . 728 66 66 GLU C C 178.291 0.070 . 729 66 66 GLU CA C 60.258 0.250 . 730 66 66 GLU CB C 29.131 0.250 . 731 66 66 GLU CG C 36.314 0.250 . 732 66 66 GLU N N 121.769 0.050 . 733 67 67 ASN H H 8.755 0.010 . 734 67 67 ASN HA H 4.263 0.015 . 735 67 67 ASN HB2 H 2.765 0.015 . 736 67 67 ASN HB3 H 2.669 0.015 . 737 67 67 ASN HD21 H 7.633 0.015 . 738 67 67 ASN HD22 H 6.959 0.015 . 739 67 67 ASN C C 177.273 0.070 . 740 67 67 ASN CA C 56.427 0.250 . 741 67 67 ASN CB C 38.230 0.250 . 742 67 67 ASN N N 115.583 0.050 . 743 67 67 ASN ND2 N 113.147 0.050 . 744 68 68 TRP H H 7.702 0.010 . 745 68 68 TRP HA H 3.925 0.015 . 746 68 68 TRP HB2 H 3.371 0.015 . 747 68 68 TRP HB3 H 3.175 0.015 . 748 68 68 TRP HD1 H 7.282 0.010 . 749 68 68 TRP HE1 H 10.237 0.010 . 750 68 68 TRP HE3 H 7.203 0.010 . 751 68 68 TRP HZ3 H 6.599 0.010 . 752 68 68 TRP C C 178.596 0.070 . 753 68 68 TRP CA C 62.413 0.250 . 754 68 68 TRP CB C 29.610 0.250 . 755 68 68 TRP N N 121.515 0.050 . 756 69 69 ILE H H 8.606 0.010 . 757 69 69 ILE HA H 3.267 0.015 . 758 69 69 ILE HB H 1.906 0.015 . 759 69 69 ILE HD1 H 0.715 0.015 . 760 69 69 ILE HG12 H 2.176 0.015 . 761 69 69 ILE HG13 H 0.790 0.015 . 762 69 69 ILE HG2 H 0.785 0.015 . 763 69 69 ILE C C 179.079 0.070 . 764 69 69 ILE CA C 66.005 0.250 . 765 69 69 ILE CB C 38.948 0.250 . 766 69 69 ILE CD1 C 14.765 0.250 . 767 69 69 ILE CG1 C 29.849 0.250 . 768 69 69 ILE CG2 C 18.596 0.250 . 769 69 69 ILE N N 118.268 0.050 . 770 70 70 ARG H H 8.461 0.010 . 771 70 70 ARG HA H 3.819 0.015 . 772 70 70 ARG HB2 H 1.719 0.015 . 773 70 70 ARG HB3 H 1.719 0.015 . 774 70 70 ARG HD2 H 3.110 0.015 . 775 70 70 ARG HD3 H 3.110 0.015 . 776 70 70 ARG HG2 H 1.704 0.015 . 777 70 70 ARG HG3 H 1.515 0.015 . 778 70 70 ARG C C 176.798 0.070 . 779 70 70 ARG CA C 60.019 0.250 . 780 70 70 ARG CB C 30.328 0.250 . 781 70 70 ARG CD C 43.737 0.250 . 782 70 70 ARG CG C 28.173 0.250 . 783 70 70 ARG N N 120.806 0.050 . 784 71 71 ASN H H 7.304 0.010 . 785 71 71 ASN HA H 4.054 0.015 . 786 71 71 ASN HB2 H 2.507 0.015 . 787 71 71 ASN HB3 H 2.418 0.015 . 788 71 71 ASN HD21 H 7.561 0.015 . 789 71 71 ASN HD22 H 6.870 0.015 . 790 71 71 ASN C C 176.942 0.070 . 791 71 71 ASN CA C 56.427 0.250 . 792 71 71 ASN CB C 38.948 0.250 . 793 71 71 ASN N N 114.923 0.050 . 794 71 71 ASN ND2 N 113.721 0.050 . 795 72 72 ALA H H 8.239 0.010 . 796 72 72 ALA HA H 2.907 0.015 . 797 72 72 ALA HB H -0.294 0.015 . 798 72 72 ALA C C 178.443 0.070 . 799 72 72 ALA CA C 54.751 0.250 . 800 72 72 ALA CB C 16.201 0.250 . 801 72 72 ALA N N 121.770 0.050 . 802 73 73 THR H H 7.792 0.010 . 803 73 73 THR HA H 3.324 0.015 . 804 73 73 THR HB H 3.796 0.015 . 805 73 73 THR HG2 H 0.867 0.015 . 806 73 73 THR C C 175.942 0.070 . 807 73 73 THR CA C 68.399 0.250 . 808 73 73 THR CB C 68.160 0.250 . 809 73 73 THR CG2 C 20.990 0.250 . 810 73 73 THR N N 111.374 0.050 . 811 74 74 VAL H H 7.146 0.010 . 812 74 74 VAL HA H 3.324 0.015 . 813 74 74 VAL HB H 1.854 0.015 . 814 74 74 VAL HG1 H 0.815 0.015 . 815 74 74 VAL HG2 H 0.698 0.015 . 816 74 74 VAL C C 177.112 0.070 . 817 74 74 VAL CA C 66.963 0.250 . 818 74 74 VAL CB C 31.765 0.250 . 819 74 74 VAL CG1 C 22.666 0.250 . 820 74 74 VAL CG2 C 21.469 0.250 . 821 74 74 VAL N N 116.690 0.050 . 822 75 75 ASN H H 7.452 0.010 . 823 75 75 ASN HA H 4.195 0.015 . 824 75 75 ASN HB2 H 2.669 0.015 . 825 75 75 ASN HB3 H 2.576 0.015 . 826 75 75 ASN C C 178.240 0.070 . 827 75 75 ASN CA C 56.906 0.250 . 828 75 75 ASN CB C 38.948 0.250 . 829 75 75 ASN N N 116.733 0.050 . 830 76 76 ILE H H 8.490 0.010 . 831 76 76 ILE HA H 3.420 0.015 . 832 76 76 ILE HB H 1.267 0.015 . 833 76 76 ILE HD1 H -0.176 0.015 . 834 76 76 ILE HG12 H 1.367 0.015 . 835 76 76 ILE HG13 H 0.351 0.015 . 836 76 76 ILE HG2 H 0.351 0.015 . 837 76 76 ILE C C 177.773 0.070 . 838 76 76 ILE CA C 65.765 0.250 . 839 76 76 ILE CB C 37.751 0.250 . 840 76 76 ILE CD1 C 12.849 0.250 . 841 76 76 ILE CG1 C 29.849 0.250 . 842 76 76 ILE CG2 C 19.793 0.250 . 843 76 76 ILE N N 121.239 0.050 . 844 77 77 LEU H H 7.844 0.010 . 845 77 77 LEU HA H 3.969 0.015 . 846 77 77 LEU HB2 H 1.787 0.015 . 847 77 77 LEU HB3 H 1.174 0.015 . 848 77 77 LEU HD1 H 0.539 0.015 . 849 77 77 LEU HD2 H 0.845 0.015 . 850 77 77 LEU HG H 2.104 0.015 . 851 77 77 LEU C C 179.139 0.070 . 852 77 77 LEU CA C 58.343 0.250 . 853 77 77 LEU CB C 41.103 0.250 . 854 77 77 LEU CD1 C 26.737 0.250 . 855 77 77 LEU CD2 C 22.666 0.250 . 856 77 77 LEU CG C 26.737 0.250 . 857 77 77 LEU N N 117.588 0.050 . 858 78 78 GLU H H 7.915 0.010 . 859 78 78 GLU HA H 3.865 0.015 . 860 78 78 GLU HB2 H 2.218 0.015 . 861 78 78 GLU HB3 H 1.948 0.015 . 862 78 78 GLU HG2 H 2.081 0.015 . 863 78 78 GLU HG3 H 2.081 0.015 . 864 78 78 GLU C C 180.750 0.070 . 865 78 78 GLU CA C 59.779 0.250 . 866 78 78 GLU CB C 29.371 0.250 . 867 78 78 GLU CG C 36.314 0.250 . 868 78 78 GLU N N 118.176 0.050 . 869 79 79 GLU H H 8.087 0.010 . 870 79 79 GLU HA H 3.902 0.015 . 871 79 79 GLU HB2 H 2.153 0.015 . 872 79 79 GLU HB3 H 1.982 0.015 . 873 79 79 GLU HG2 H 2.314 0.015 . 874 79 79 GLU HG3 H 2.254 0.015 . 875 79 79 GLU C C 178.494 0.070 . 876 79 79 GLU CA C 59.061 0.250 . 877 79 79 GLU CB C 28.173 0.250 . 878 79 79 GLU CG C 34.878 0.250 . 879 79 79 GLU N N 123.184 0.050 . 880 80 80 MET H H 8.018 0.010 . 881 80 80 MET HA H 3.925 0.015 . 882 80 80 MET HB2 H 2.378 0.015 . 883 80 80 MET HB3 H 1.771 0.015 . 884 80 80 MET HG2 H 2.588 0.015 . 885 80 80 MET HG3 H 2.242 0.015 . 886 80 80 MET C C 175.026 0.070 . 887 80 80 MET CA C 57.146 0.250 . 888 80 80 MET CB C 34.638 0.250 . 889 80 80 MET CG C 32.483 0.250 . 890 80 80 MET N N 116.350 0.050 . 891 81 81 ASN H H 7.970 0.010 . 892 81 81 ASN HA H 4.239 0.015 . 893 81 81 ASN HB2 H 3.099 0.015 . 894 81 81 ASN HB3 H 2.670 0.015 . 895 81 81 ASN HD21 H 7.442 0.015 . 896 81 81 ASN HD22 H 6.682 0.015 . 897 81 81 ASN C C 175.034 0.070 . 898 81 81 ASN CA C 54.272 0.250 . 899 81 81 ASN CB C 37.272 0.250 . 900 81 81 ASN N N 114.563 0.050 . 901 81 81 ASN ND2 N 112.285 0.050 . 902 82 82 LEU H H 7.603 0.010 . 903 82 82 LEU HA H 4.652 0.015 . 904 82 82 LEU HB2 H 1.602 0.015 . 905 82 82 LEU HB3 H 1.466 0.015 . 906 82 82 LEU HD1 H 0.769 0.015 . 907 82 82 LEU HD2 H 0.751 0.015 . 908 82 82 LEU HG H 1.453 0.015 . 909 82 82 LEU C C 177.086 0.070 . 910 82 82 LEU CA C 52.596 0.250 . 911 82 82 LEU CB C 39.188 0.250 . 912 82 82 LEU CD1 C 26.497 0.250 . 913 82 82 LEU CD2 C 22.427 0.250 . 914 82 82 LEU CG C 26.497 0.250 . 915 82 82 LEU N N 120.764 0.050 . 916 83 83 THR H H 7.330 0.010 . 917 83 83 THR HA H 3.526 0.015 . 918 83 83 THR HB H 3.920 0.015 . 919 83 83 THR HG2 H 1.091 0.015 . 920 83 83 THR C C 177.010 0.070 . 921 83 83 THR CA C 66.244 0.250 . 922 83 83 THR CB C 68.639 0.250 . 923 83 83 THR CG2 C 21.948 0.250 . 924 83 83 THR N N 114.580 0.050 . 925 84 84 GLU H H 8.474 0.010 . 926 84 84 GLU HA H 3.914 0.015 . 927 84 84 GLU HB2 H 1.924 0.015 . 928 84 84 GLU HB3 H 1.924 0.015 . 929 84 84 GLU HG2 H 2.187 0.015 . 930 84 84 GLU HG3 H 2.187 0.015 . 931 84 84 GLU C C 179.486 0.070 . 932 84 84 GLU CA C 59.300 0.250 . 933 84 84 GLU CB C 28.413 0.250 . 934 84 84 GLU CG C 36.075 0.250 . 935 84 84 GLU N N 121.601 0.050 . 936 85 85 LEU H H 8.105 0.010 . 937 85 85 LEU HA H 3.983 0.015 . 938 85 85 LEU HB2 H 1.525 0.015 . 939 85 85 LEU HB3 H 1.337 0.015 . 940 85 85 LEU HD1 H 0.739 0.015 . 941 85 85 LEU HD2 H 0.657 0.015 . 942 85 85 LEU HG H 1.507 0.015 . 943 85 85 LEU C C 178.401 0.070 . 944 85 85 LEU CA C 57.385 0.250 . 945 85 85 LEU CB C 41.821 0.250 . 946 85 85 LEU CD1 C 25.300 0.250 . 947 85 85 LEU CD2 C 24.103 0.250 . 948 85 85 LEU CG C 26.976 0.250 . 949 85 85 LEU N N 121.808 0.050 . 950 86 86 CYS H H 8.594 0.010 . 951 86 86 CYS HA H 3.679 0.015 . 952 86 86 CYS HB2 H 2.793 0.015 . 953 86 86 CYS HB3 H 2.653 0.015 . 954 86 86 CYS C C 175.916 0.070 . 955 86 86 CYS CA C 62.892 0.250 . 956 86 86 CYS CB C 26.018 0.250 . 957 86 86 CYS N N 118.556 0.050 . 958 87 87 LYS H H 7.698 0.010 . 959 87 87 LYS HA H 3.736 0.015 . 960 87 87 LYS HB2 H 1.786 0.015 . 961 87 87 LYS HB3 H 1.786 0.015 . 962 87 87 LYS HD2 H 1.514 0.015 . 963 87 87 LYS HD3 H 1.514 0.015 . 964 87 87 LYS HE2 H 2.757 0.015 . 965 87 87 LYS HE3 H 2.757 0.015 . 966 87 87 LYS HG2 H 1.487 0.015 . 967 87 87 LYS HG3 H 1.244 0.015 . 968 87 87 LYS C C 179.520 0.070 . 969 87 87 LYS CA C 60.019 0.250 . 970 87 87 LYS CB C 32.244 0.250 . 971 87 87 LYS CD C 29.610 0.250 . 972 87 87 LYS CE C 41.821 0.250 . 973 87 87 LYS CG C 25.061 0.250 . 974 87 87 LYS N N 118.407 0.050 . 975 88 88 MET H H 7.559 0.010 . 976 88 88 MET HA H 4.028 0.015 . 977 88 88 MET HB2 H 2.028 0.015 . 978 88 88 MET HB3 H 1.971 0.015 . 979 88 88 MET HG2 H 2.524 0.015 . 980 88 88 MET HG3 H 2.286 0.015 . 981 88 88 MET C C 177.510 0.070 . 982 88 88 MET CA C 58.582 0.250 . 983 88 88 MET CB C 32.244 0.250 . 984 88 88 MET CG C 31.765 0.250 . 985 88 88 MET N N 119.734 0.050 . 986 89 89 ALA H H 8.437 0.010 . 987 89 89 ALA HA H 3.655 0.015 . 988 89 89 ALA HB H 1.214 0.015 . 989 89 89 ALA C C 178.978 0.070 . 990 89 89 ALA CA C 55.230 0.250 . 991 89 89 ALA CB C 18.596 0.250 . 992 89 89 ALA N N 121.620 0.050 . 993 90 90 LYS H H 8.314 0.010 . 994 90 90 LYS HA H 3.603 0.015 . 995 90 90 LYS HB2 H 1.678 0.015 . 996 90 90 LYS HB3 H 1.678 0.015 . 997 90 90 LYS HD2 H 1.503 0.015 . 998 90 90 LYS HD3 H 1.503 0.015 . 999 90 90 LYS HE2 H 2.728 0.015 . 1000 90 90 LYS HE3 H 2.728 0.015 . 1001 90 90 LYS HG2 H 1.564 0.015 . 1002 90 90 LYS HG3 H 1.212 0.015 . 1003 90 90 LYS C C 178.978 0.070 . 1004 90 90 LYS CA C 59.779 0.250 . 1005 90 90 LYS CB C 32.723 0.250 . 1006 90 90 LYS CD C 29.610 0.250 . 1007 90 90 LYS CE C 42.061 0.250 . 1008 90 90 LYS CG C 26.737 0.250 . 1009 90 90 LYS N N 116.186 0.050 . 1010 91 91 ALA H H 7.552 0.010 . 1011 91 91 ALA HA H 3.984 0.015 . 1012 91 91 ALA HB H 1.361 0.015 . 1013 91 91 ALA C C 179.894 0.070 . 1014 91 91 ALA CA C 54.512 0.250 . 1015 91 91 ALA CB C 18.596 0.250 . 1016 91 91 ALA N N 119.564 0.050 . 1017 92 92 GLU H H 8.039 0.010 . 1018 92 92 GLU HA H 4.127 0.015 . 1019 92 92 GLU HB2 H 2.015 0.015 . 1020 92 92 GLU HB3 H 1.714 0.015 . 1021 92 92 GLU HG2 H 2.283 0.015 . 1022 92 92 GLU HG3 H 2.283 0.015 . 1023 92 92 GLU C C 178.002 0.070 . 1024 92 92 GLU CA C 57.385 0.250 . 1025 92 92 GLU CB C 30.568 0.250 . 1026 92 92 GLU CG C 35.357 0.250 . 1027 92 92 GLU N N 113.930 0.050 . 1028 93 93 MET H H 8.022 0.010 . 1029 93 93 MET HA H 4.383 0.015 . 1030 93 93 MET HB2 H 1.953 0.015 . 1031 93 93 MET HB3 H 1.855 0.015 . 1032 93 93 MET HG2 H 2.523 0.015 . 1033 93 93 MET HG3 H 2.194 0.015 . 1034 93 93 MET C C 175.857 0.070 . 1035 93 93 MET CA C 56.427 0.250 . 1036 93 93 MET CB C 33.680 0.250 . 1037 93 93 MET CG C 33.920 0.250 . 1038 93 93 MET N N 114.841 0.050 . 1039 94 94 MET H H 7.680 0.010 . 1040 94 94 MET HA H 4.335 0.015 . 1041 94 94 MET HB2 H 1.977 0.015 . 1042 94 94 MET HB3 H 1.977 0.015 . 1043 94 94 MET HG2 H 2.427 0.015 . 1044 94 94 MET HG3 H 2.384 0.015 . 1045 94 94 MET C C 175.967 0.070 . 1046 94 94 MET CA C 55.469 0.250 . 1047 94 94 MET CB C 32.483 0.250 . 1048 94 94 MET CG C 32.483 0.250 . 1049 94 94 MET N N 118.250 0.050 . 1050 95 95 GLU H H 8.215 0.010 . 1051 95 95 GLU HA H 4.124 0.015 . 1052 95 95 GLU HB2 H 1.901 0.015 . 1053 95 95 GLU HB3 H 1.796 0.015 . 1054 95 95 GLU HG2 H 2.102 0.015 . 1055 95 95 GLU HG3 H 2.102 0.015 . 1056 95 95 GLU C C 176.154 0.070 . 1057 95 95 GLU CA C 56.427 0.250 . 1058 95 95 GLU CB C 30.089 0.250 . 1059 95 95 GLU CG C 36.075 0.250 . 1060 95 95 GLU N N 121.620 0.050 . 1061 96 96 ASP H H 8.377 0.010 . 1062 96 96 ASP HA H 4.419 0.015 . 1063 96 96 ASP HB2 H 2.552 0.015 . 1064 96 96 ASP HB3 H 2.552 0.015 . 1065 96 96 ASP C C 176.985 0.070 . 1066 96 96 ASP CA C 54.512 0.250 . 1067 96 96 ASP CB C 41.103 0.250 . 1068 96 96 ASP N N 121.427 0.050 . 1069 97 97 GLY H H 8.338 0.010 . 1070 97 97 GLY HA2 H 3.790 0.015 . 1071 97 97 GLY HA3 H 3.790 0.015 . 1072 97 97 GLY C C 174.551 0.070 . 1073 97 97 GLY CA C 45.652 0.250 . 1074 97 97 GLY N N 109.247 0.050 . 1075 98 98 GLN H H 8.122 0.010 . 1076 98 98 GLN HA H 4.127 0.015 . 1077 98 98 GLN HB2 H 1.960 0.015 . 1078 98 98 GLN HB3 H 1.836 0.015 . 1079 98 98 GLN HE21 H 7.489 0.015 . 1080 98 98 GLN HE22 H 6.726 0.015 . 1081 98 98 GLN HG2 H 2.183 0.015 . 1082 98 98 GLN HG3 H 2.183 0.015 . 1083 98 98 GLN C C 176.230 0.070 . 1084 98 98 GLN CA C 55.948 0.250 . 1085 98 98 GLN CB C 29.131 0.250 . 1086 98 98 GLN CG C 33.680 0.250 . 1087 98 98 GLN N N 119.093 0.050 . 1088 98 98 GLN NE2 N 112.622 0.050 . 1089 99 99 LEU H H 8.071 0.010 . 1090 99 99 LEU HA H 4.080 0.015 . 1091 99 99 LEU HB2 H 1.444 0.015 . 1092 99 99 LEU HB3 H 1.362 0.015 . 1093 99 99 LEU HD1 H 0.739 0.015 . 1094 99 99 LEU HD2 H 0.675 0.015 . 1095 99 99 LEU HG H 1.421 0.015 . 1096 99 99 LEU C C 177.358 0.070 . 1097 99 99 LEU CA C 55.469 0.250 . 1098 99 99 LEU CB C 42.061 0.250 . 1099 99 99 LEU CD1 C 24.821 0.250 . 1100 99 99 LEU CD2 C 23.385 0.250 . 1101 99 99 LEU CG C 26.976 0.250 . 1102 99 99 LEU N N 121.996 0.050 . 1103 100 100 GLU H H 8.153 0.010 . 1104 100 100 GLU HA H 3.994 0.015 . 1105 100 100 GLU HB2 H 1.720 0.015 . 1106 100 100 GLU HB3 H 1.720 0.015 . 1107 100 100 GLU HG2 H 2.024 0.015 . 1108 100 100 GLU HG3 H 1.983 0.015 . 1109 100 100 GLU C C 176.171 0.070 . 1110 100 100 GLU CA C 56.427 0.250 . 1111 100 100 GLU CB C 30.089 0.250 . 1112 100 100 GLU CG C 35.835 0.250 . 1113 100 100 GLU N N 120.271 0.050 . stop_ save_