data_19453 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the protein ZP_02042476.1 from Ruminococcus gnavus ; _BMRB_accession_number 19453 _BMRB_flat_file_name bmr19453.str _Entry_type original _Submission_date 2013-08-27 _Accession_date 2013-08-27 _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 Martin Bryan T. . 2 Serrano Pedro . . 3 Geralt Michael . . 4 Dutta Samit . . 5 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 600 "13C chemical shifts" 325 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-11-11 original author . stop_ _Original_release_date 2013-11-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the protein ZP_02042476.1 from Ruminococcus gnavus.' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Martin Bryan T. . 2 Wuthrich Kurt . . 3 Serrano Pedro . . 4 Geralt Michael . . 5 Dutta Samit K. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SP17945A _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SP17945A $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 11710.976 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; PILPKAENVDSICIDFTNSI QKIYDDSESIQKILSEIATG KRTEKQSIQDYPSAEEYGTI NIENNGGMTTMFYYEENGKY YIECPYKGIYEIENNFEDMI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 3 PRO 2 4 ILE 3 5 LEU 4 6 PRO 5 7 LYS 6 8 ALA 7 9 GLU 8 10 ASN 9 11 VAL 10 12 ASP 11 13 SER 12 14 ILE 13 15 CYS 14 16 ILE 15 17 ASP 16 18 PHE 17 19 THR 18 20 ASN 19 21 SER 20 22 ILE 21 23 GLN 22 24 LYS 23 25 ILE 24 26 TYR 25 27 ASP 26 28 ASP 27 29 SER 28 30 GLU 29 31 SER 30 32 ILE 31 33 GLN 32 34 LYS 33 35 ILE 34 36 LEU 35 37 SER 36 38 GLU 37 39 ILE 38 40 ALA 39 41 THR 40 42 GLY 41 43 LYS 42 44 ARG 43 45 THR 44 46 GLU 45 47 LYS 46 48 GLN 47 49 SER 48 50 ILE 49 51 GLN 50 52 ASP 51 53 TYR 52 54 PRO 53 55 SER 54 56 ALA 55 57 GLU 56 58 GLU 57 59 TYR 58 60 GLY 59 61 THR 60 62 ILE 61 63 ASN 62 64 ILE 63 65 GLU 64 66 ASN 65 67 ASN 66 68 GLY 67 69 GLY 68 70 MET 69 71 THR 70 72 THR 71 73 MET 72 74 PHE 73 75 TYR 74 76 TYR 75 77 GLU 76 78 GLU 77 79 ASN 78 80 GLY 79 81 LYS 80 82 TYR 81 83 TYR 82 84 ILE 83 85 GLU 84 86 CYS 85 87 PRO 86 88 TYR 87 89 LYS 88 90 GLY 89 91 ILE 90 92 TYR 91 93 GLU 92 94 ILE 93 95 GLU 94 96 ASN 95 97 ASN 96 98 PHE 97 99 GLU 98 100 ASP 99 101 MET 100 102 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 2MCT "Nmr Structure Of The Protein Zp_02042476.1 From Ruminococcus Gnavus" 100.00 102 100.00 100.00 1.01e-63 EMBL CCZ67861 "putative uncharacterized protein [Ruminococcus gnavus CAG:126]" 100.00 124 100.00 100.00 1.28e-63 EMBL CUO51325 "Uncharacterised protein [[Ruminococcus] gnavus]" 100.00 124 100.00 100.00 1.28e-63 GB EDN76176 "hypothetical protein RUMGNA_03278 [Ruminococcus gnavus ATCC 29149]" 100.00 124 100.00 100.00 1.28e-63 GB EGN49208 "hypothetical protein HMPREF0991_00999 [Lachnospiraceae bacterium 2_1_58FAA]" 100.00 124 100.00 100.00 1.28e-63 GB ETD16178 "hypothetical protein HMPREF1201_02657 [Ruminococcus gnavus CC55_001C]" 100.00 124 100.00 100.00 1.28e-63 REF WP_004844251 "hypothetical protein [[Ruminococcus] gnavus]" 100.00 124 100.00 100.00 1.28e-63 REF WP_024854441 "hypothetical protein [[Ruminococcus] gnavus]" 100.00 124 99.00 99.00 7.02e-63 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $entity firmicutes 33038 Bacteria Firmicutes Ruminococcus gnavus 'ATCC 29149' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli BL21(DE3) pSpeedET 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 $entity 1.2 mM '[U-98% 13C; U-98% 15N]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'G ntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 'data analysis' processing stop_ _Details . save_ save_UNIO _Saveframe_category software _Name UNIO _Version 2010 loop_ _Vendor _Address _Electronic_address 'Herrmann ann Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 'structure solution' 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 _Field_strength 600 _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_3D_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_APSY_4D-HACANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 4D-HACANH' _Sample_label $sample_1 save_ save_APSY_5D-CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-CBCACONH' _Sample_label $sample_1 save_ save_APSY_5D-HACACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-HACACONH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.220 . M pH 6.0 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' 'APSY 4D-HACANH' 'APSY 5D-CBCACONH' 'APSY 5D-HACACONH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SP17945A _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 1 PRO HA H 3.776 0.0064 . 2 3 1 PRO HB2 H 1.442 0.0064 . 3 3 1 PRO HB3 H 1.069 0.0064 . 4 3 1 PRO HG2 H 0.178 0.0064 . 5 3 1 PRO HG3 H 0.178 0.0064 . 6 3 1 PRO HD2 H 3.187 0.0064 . 7 3 1 PRO HD3 H 3.256 0.0064 . 8 3 1 PRO CA C 62.923 0.1484 . 9 3 1 PRO CB C 31.156 0.1484 . 10 3 1 PRO CG C 25.803 0.1484 . 11 3 1 PRO CD C 50.321 0.1484 . 12 4 2 ILE H H 8.067 0.0064 . 13 4 2 ILE HA H 3.926 0.0064 . 14 4 2 ILE HB H 1.750 0.0064 . 15 4 2 ILE HG12 H 1.508 0.0064 . 16 4 2 ILE HG13 H 1.228 0.0064 . 17 4 2 ILE HG2 H 0.765 0.0064 . 18 4 2 ILE HD1 H 0.818 0.0064 . 19 4 2 ILE CA C 61.038 0.1484 . 20 4 2 ILE CB C 36.581 0.1484 . 21 4 2 ILE CG1 C 27.324 0.1484 . 22 4 2 ILE CG2 C 17.173 0.1484 . 23 4 2 ILE CD1 C 11.908 0.1484 . 24 4 2 ILE N N 122.637 0.0254 . 25 5 3 LEU H H 8.154 0.0064 . 26 5 3 LEU HA H 4.714 0.0064 . 27 5 3 LEU HB2 H 1.423 0.0064 . 28 5 3 LEU HB3 H 1.308 0.0064 . 29 5 3 LEU HG H 1.312 0.0064 . 30 5 3 LEU HD2 H 0.769 0.0064 . 31 5 3 LEU CA C 51.060 0.1484 . 32 5 3 LEU CB C 44.650 0.1484 . 33 5 3 LEU CG C 26.058 0.1484 . 34 5 3 LEU CD1 C 21.565 0.1484 . 35 5 3 LEU CD2 C 26.034 0.1484 . 36 5 3 LEU N N 127.924 0.0254 . 37 6 4 PRO HA H 4.421 0.0064 . 38 6 4 PRO HB2 H 2.035 0.0064 . 39 6 4 PRO HB3 H 1.577 0.0064 . 40 6 4 PRO HG2 H 1.656 0.0064 . 41 6 4 PRO HG3 H 1.526 0.0064 . 42 6 4 PRO HD2 H 3.189 0.0064 . 43 6 4 PRO HD3 H 3.657 0.0064 . 44 6 4 PRO CA C 61.034 0.1484 . 45 6 4 PRO CB C 31.516 0.1484 . 46 6 4 PRO CG C 26.966 0.1484 . 47 6 4 PRO CD C 49.051 0.1484 . 48 7 5 LYS H H 8.369 0.0064 . 49 7 5 LYS HA H 4.033 0.0064 . 50 7 5 LYS HB2 H 1.905 0.0064 . 51 7 5 LYS HB3 H 1.608 0.0064 . 52 7 5 LYS HG2 H 1.433 0.0064 . 53 7 5 LYS HG3 H 1.530 0.0064 . 54 7 5 LYS HD3 H 1.631 0.0064 . 55 7 5 LYS HE3 H 2.951 0.0064 . 56 7 5 LYS CA C 55.735 0.1484 . 57 7 5 LYS CB C 32.404 0.1484 . 58 7 5 LYS CG C 24.952 0.1484 . 59 7 5 LYS CD C 28.876 0.1484 . 60 7 5 LYS CE C 41.887 0.1484 . 61 7 5 LYS N N 118.478 0.0254 . 62 8 6 ALA H H 8.655 0.0064 . 63 8 6 ALA HA H 3.534 0.0064 . 64 8 6 ALA HB H 1.322 0.0064 . 65 8 6 ALA CA C 55.504 0.1484 . 66 8 6 ALA CB C 18.219 0.1484 . 67 8 6 ALA N N 124.542 0.0254 . 68 9 7 GLU H H 9.191 0.0064 . 69 9 7 GLU HA H 4.116 0.0064 . 70 9 7 GLU HB2 H 1.973 0.0064 . 71 9 7 GLU HB3 H 1.973 0.0064 . 72 9 7 GLU HG2 H 2.158 0.0064 . 73 9 7 GLU HG3 H 2.100 0.0064 . 74 9 7 GLU CA C 57.919 0.1484 . 75 9 7 GLU CB C 28.233 0.1484 . 76 9 7 GLU CG C 35.505 0.1484 . 77 9 7 GLU N N 113.430 0.0254 . 78 10 8 ASN H H 7.923 0.0064 . 79 10 8 ASN HA H 4.986 0.0064 . 80 10 8 ASN HB2 H 3.187 0.0064 . 81 10 8 ASN HB3 H 2.523 0.0064 . 82 10 8 ASN HD21 H 7.015 0.0064 . 83 10 8 ASN HD22 H 7.721 0.0064 . 84 10 8 ASN CA C 52.438 0.1484 . 85 10 8 ASN CB C 40.067 0.1484 . 86 10 8 ASN N N 115.817 0.0254 . 87 10 8 ASN ND2 N 110.079 0.0254 . 88 11 9 VAL H H 7.531 0.0064 . 89 11 9 VAL HA H 4.218 0.0064 . 90 11 9 VAL HB H 2.148 0.0064 . 91 11 9 VAL HG1 H 0.838 0.0064 . 92 11 9 VAL HG2 H 0.699 0.0064 . 93 11 9 VAL CA C 61.805 0.1484 . 94 11 9 VAL CB C 32.203 0.1484 . 95 11 9 VAL CG1 C 23.266 0.1484 . 96 11 9 VAL CG2 C 22.844 0.1484 . 97 11 9 VAL N N 120.758 0.0254 . 98 12 10 ASP H H 8.461 0.0064 . 99 12 10 ASP HA H 4.555 0.0064 . 100 12 10 ASP HB2 H 2.642 0.0064 . 101 12 10 ASP HB3 H 2.223 0.0064 . 102 12 10 ASP CA C 55.918 0.1484 . 103 12 10 ASP CB C 42.978 0.1484 . 104 12 10 ASP N N 125.624 0.0254 . 105 13 11 SER H H 7.496 0.0064 . 106 13 11 SER HA H 4.787 0.0064 . 107 13 11 SER HB2 H 3.588 0.0064 . 108 13 11 SER HB3 H 4.081 0.0064 . 109 13 11 SER CA C 58.302 0.1484 . 110 13 11 SER CB C 64.575 0.1484 . 111 13 11 SER N N 108.535 0.0254 . 112 14 12 ILE H H 8.938 0.0064 . 113 14 12 ILE HA H 4.908 0.0064 . 114 14 12 ILE HB H 1.656 0.0064 . 115 14 12 ILE HG12 H 1.006 0.0064 . 116 14 12 ILE HG13 H 1.700 0.0064 . 117 14 12 ILE HG2 H 0.806 0.0064 . 118 14 12 ILE HD1 H 0.800 0.0064 . 119 14 12 ILE CA C 60.686 0.1484 . 120 14 12 ILE CB C 41.713 0.1484 . 121 14 12 ILE CG1 C 28.367 0.1484 . 122 14 12 ILE CG2 C 17.221 0.1484 . 123 14 12 ILE CD1 C 14.619 0.1484 . 124 14 12 ILE N N 118.240 0.0254 . 125 15 13 CYS H H 9.249 0.0064 . 126 15 13 CYS HA H 5.399 0.0064 . 127 15 13 CYS HB2 H 2.814 0.0064 . 128 15 13 CYS HB3 H 2.892 0.0064 . 129 15 13 CYS CA C 56.308 0.1484 . 130 15 13 CYS CB C 28.300 0.1484 . 131 15 13 CYS N N 128.109 0.0254 . 132 16 14 ILE H H 9.532 0.0064 . 133 16 14 ILE HA H 5.140 0.0064 . 134 16 14 ILE HB H 1.833 0.0064 . 135 16 14 ILE HG12 H 1.753 0.0064 . 136 16 14 ILE HG13 H 1.031 0.0064 . 137 16 14 ILE HG2 H 0.366 0.0064 . 138 16 14 ILE HD1 H 0.856 0.0064 . 139 16 14 ILE CA C 59.868 0.1484 . 140 16 14 ILE CB C 40.320 0.1484 . 141 16 14 ILE CG1 C 28.349 0.1484 . 142 16 14 ILE CG2 C 16.445 0.1484 . 143 16 14 ILE CD1 C 13.274 0.1484 . 144 16 14 ILE N N 130.224 0.0254 . 145 17 15 ASP H H 9.131 0.0064 . 146 17 15 ASP HA H 5.224 0.0064 . 147 17 15 ASP HB2 H 2.761 0.0064 . 148 17 15 ASP HB3 H 2.661 0.0064 . 149 17 15 ASP CA C 52.928 0.1484 . 150 17 15 ASP CB C 41.752 0.1484 . 151 17 15 ASP N N 127.172 0.0254 . 152 18 16 PHE H H 8.952 0.0064 . 153 18 16 PHE HA H 5.102 0.0064 . 154 18 16 PHE HB2 H 3.421 0.0064 . 155 18 16 PHE HB3 H 3.354 0.0064 . 156 18 16 PHE HD1 H 7.522 0.0064 . 157 18 16 PHE HD2 H 7.522 0.0064 . 158 18 16 PHE HE1 H 7.310 0.0064 . 159 18 16 PHE CA C 57.679 0.1484 . 160 18 16 PHE CB C 40.100 0.1484 . 161 18 16 PHE CD1 C 134.480 0.1484 . 162 18 16 PHE CE1 C 132.681 0.1484 . 163 18 16 PHE N N 120.740 0.0254 . 164 19 17 THR H H 9.272 0.0064 . 165 19 17 THR HA H 3.886 0.0064 . 166 19 17 THR HB H 4.262 0.0064 . 167 19 17 THR HG2 H 1.230 0.0064 . 168 19 17 THR CA C 65.113 0.1484 . 169 19 17 THR CB C 68.774 0.1484 . 170 19 17 THR CG2 C 21.803 0.1484 . 171 19 17 THR N N 114.091 0.0254 . 172 20 18 ASN H H 8.040 0.0064 . 173 20 18 ASN HA H 4.702 0.0064 . 174 20 18 ASN HB2 H 2.803 0.0064 . 175 20 18 ASN HB3 H 3.158 0.0064 . 176 20 18 ASN HD21 H 6.322 0.0064 . 177 20 18 ASN HD22 H 7.355 0.0064 . 178 20 18 ASN CA C 52.387 0.1484 . 179 20 18 ASN CB C 37.104 0.1484 . 180 20 18 ASN N N 117.195 0.0254 . 181 20 18 ASN ND2 N 107.560 0.0254 . 182 21 19 SER H H 8.068 0.0064 . 183 21 19 SER HA H 4.167 0.0064 . 184 21 19 SER HB2 H 4.752 0.0064 . 185 21 19 SER HB3 H 4.010 0.0064 . 186 21 19 SER CA C 60.460 0.1484 . 187 21 19 SER CB C 61.844 0.1484 . 188 21 19 SER N N 109.771 0.0254 . 189 22 20 ILE H H 7.562 0.0064 . 190 22 20 ILE HA H 4.143 0.0064 . 191 22 20 ILE HB H 1.943 0.0064 . 192 22 20 ILE HG12 H 1.344 0.0064 . 193 22 20 ILE HG13 H 1.146 0.0064 . 194 22 20 ILE HG2 H 0.807 0.0064 . 195 22 20 ILE HD1 H 0.723 0.0064 . 196 22 20 ILE CA C 60.770 0.1484 . 197 22 20 ILE CB C 37.900 0.1484 . 198 22 20 ILE CG1 C 27.622 0.1484 . 199 22 20 ILE CG2 C 17.401 0.1484 . 200 22 20 ILE CD1 C 11.922 0.1484 . 201 22 20 ILE N N 121.777 0.0254 . 202 23 21 GLN H H 8.420 0.0064 . 203 23 21 GLN HA H 5.777 0.0064 . 204 23 21 GLN HB2 H 2.024 0.0064 . 205 23 21 GLN HB3 H 1.939 0.0064 . 206 23 21 GLN HG2 H 1.813 0.0064 . 207 23 21 GLN HG3 H 2.359 0.0064 . 208 23 21 GLN HE21 H 6.594 0.0064 . 209 23 21 GLN HE22 H 8.700 0.0064 . 210 23 21 GLN CA C 54.171 0.1484 . 211 23 21 GLN CB C 33.153 0.1484 . 212 23 21 GLN CG C 36.107 0.1484 . 213 23 21 GLN N N 125.114 0.0254 . 214 23 21 GLN NE2 N 114.185 0.0254 . 215 24 22 LYS H H 9.131 0.0064 . 216 24 22 LYS HA H 4.596 0.0064 . 217 24 22 LYS HB2 H 1.755 0.0064 . 218 24 22 LYS HB3 H 1.613 0.0064 . 219 24 22 LYS HG2 H 1.206 0.0064 . 220 24 22 LYS HG3 H 1.024 0.0064 . 221 24 22 LYS HE2 H 2.719 0.0064 . 222 24 22 LYS HE3 H 2.601 0.0064 . 223 24 22 LYS CA C 55.311 0.1484 . 224 24 22 LYS CB C 36.870 0.1484 . 225 24 22 LYS CG C 25.441 0.1484 . 226 24 22 LYS CE C 42.090 0.1484 . 227 24 22 LYS N N 125.530 0.0254 . 228 25 23 ILE H H 8.202 0.0064 . 229 25 23 ILE HA H 4.692 0.0064 . 230 25 23 ILE HB H 1.593 0.0064 . 231 25 23 ILE HG12 H 0.992 0.0064 . 232 25 23 ILE HG13 H 1.507 0.0064 . 233 25 23 ILE HG2 H 0.769 0.0064 . 234 25 23 ILE HD1 H 0.833 0.0064 . 235 25 23 ILE CA C 60.061 0.1484 . 236 25 23 ILE CB C 39.356 0.1484 . 237 25 23 ILE CG1 C 28.513 0.1484 . 238 25 23 ILE CG2 C 17.593 0.1484 . 239 25 23 ILE CD1 C 13.307 0.1484 . 240 25 23 ILE N N 121.962 0.0254 . 241 26 24 TYR H H 9.538 0.0064 . 242 26 24 TYR HA H 4.775 0.0064 . 243 26 24 TYR HB2 H 2.826 0.0064 . 244 26 24 TYR HB3 H 2.826 0.0064 . 245 26 24 TYR HD1 H 7.095 0.0064 . 246 26 24 TYR HD2 H 7.095 0.0064 . 247 26 24 TYR HE1 H 6.689 0.0064 . 248 26 24 TYR HE2 H 6.689 0.0064 . 249 26 24 TYR CA C 56.703 0.1484 . 250 26 24 TYR CB C 38.937 0.1484 . 251 26 24 TYR CD1 C 135.509 0.1484 . 252 26 24 TYR CE1 C 119.752 0.1484 . 253 26 24 TYR N N 127.274 0.0254 . 254 27 25 ASP H H 8.871 0.0064 . 255 27 25 ASP HA H 4.803 0.0064 . 256 27 25 ASP HB2 H 3.091 0.0064 . 257 27 25 ASP HB3 H 2.402 0.0064 . 258 27 25 ASP CA C 52.637 0.1484 . 259 27 25 ASP CB C 41.041 0.1484 . 260 27 25 ASP N N 120.136 0.0254 . 261 28 26 ASP H H 8.231 0.0064 . 262 28 26 ASP HA H 5.032 0.0064 . 263 28 26 ASP HB2 H 2.909 0.0064 . 264 28 26 ASP HB3 H 2.728 0.0064 . 265 28 26 ASP CA C 51.558 0.1484 . 266 28 26 ASP CB C 43.008 0.1484 . 267 28 26 ASP N N 117.393 0.0254 . 268 29 27 SER H H 8.915 0.0064 . 269 29 27 SER HA H 3.981 0.0064 . 270 29 27 SER HB2 H 3.893 0.0064 . 271 29 27 SER HB3 H 3.893 0.0064 . 272 29 27 SER CA C 61.735 0.1484 . 273 29 27 SER CB C 62.655 0.1484 . 274 29 27 SER N N 116.997 0.0254 . 275 30 28 GLU H H 8.486 0.0064 . 276 30 28 GLU HA H 4.000 0.0064 . 277 30 28 GLU HB2 H 2.141 0.0064 . 278 30 28 GLU HB3 H 2.035 0.0064 . 279 30 28 GLU HG2 H 2.265 0.0064 . 280 30 28 GLU HG3 H 2.316 0.0064 . 281 30 28 GLU CA C 59.963 0.1484 . 282 30 28 GLU CB C 29.015 0.1484 . 283 30 28 GLU CG C 36.525 0.1484 . 284 30 28 GLU N N 120.709 0.0254 . 285 31 29 SER H H 8.367 0.0064 . 286 31 29 SER HA H 4.060 0.0064 . 287 31 29 SER HB2 H 3.793 0.0064 . 288 31 29 SER HB3 H 4.137 0.0064 . 289 31 29 SER CA C 61.992 0.1484 . 290 31 29 SER CB C 62.070 0.1484 . 291 31 29 SER N N 117.632 0.0254 . 292 32 30 ILE H H 8.076 0.0064 . 293 32 30 ILE HA H 3.342 0.0064 . 294 32 30 ILE HB H 1.733 0.0064 . 295 32 30 ILE HG12 H 0.569 0.0064 . 296 32 30 ILE HG13 H 0.569 0.0064 . 297 32 30 ILE HG2 H 0.776 0.0064 . 298 32 30 ILE HD1 H 0.564 0.0064 . 299 32 30 ILE CA C 65.896 0.1484 . 300 32 30 ILE CB C 38.030 0.1484 . 301 32 30 ILE CG1 C 30.668 0.1484 . 302 32 30 ILE CG2 C 17.084 0.1484 . 303 32 30 ILE CD1 C 13.522 0.1484 . 304 32 30 ILE N N 121.164 0.0254 . 305 33 31 GLN H H 8.140 0.0064 . 306 33 31 GLN HA H 3.857 0.0064 . 307 33 31 GLN HB2 H 2.084 0.0064 . 308 33 31 GLN HB3 H 2.084 0.0064 . 309 33 31 GLN HG2 H 2.258 0.0064 . 310 33 31 GLN HG3 H 2.426 0.0064 . 311 33 31 GLN HE21 H 7.285 0.0064 . 312 33 31 GLN HE22 H 6.807 0.0064 . 313 33 31 GLN CA C 58.835 0.1484 . 314 33 31 GLN CB C 28.285 0.1484 . 315 33 31 GLN CG C 34.046 0.1484 . 316 33 31 GLN N N 116.303 0.0254 . 317 33 31 GLN NE2 N 111.140 0.0254 . 318 34 32 LYS H H 7.812 0.0064 . 319 34 32 LYS HA H 3.965 0.0064 . 320 34 32 LYS HB2 H 1.962 0.0064 . 321 34 32 LYS HB3 H 1.894 0.0064 . 322 34 32 LYS HG2 H 1.304 0.0064 . 323 34 32 LYS HG3 H 1.400 0.0064 . 324 34 32 LYS HD2 H 1.613 0.0064 . 325 34 32 LYS HD3 H 1.669 0.0064 . 326 34 32 LYS HE2 H 2.862 0.0064 . 327 34 32 LYS HE3 H 2.862 0.0064 . 328 34 32 LYS CA C 59.214 0.1484 . 329 34 32 LYS CB C 32.186 0.1484 . 330 34 32 LYS CG C 24.801 0.1484 . 331 34 32 LYS CD C 28.962 0.1484 . 332 34 32 LYS CE C 42.050 0.1484 . 333 34 32 LYS N N 120.324 0.0254 . 334 35 33 ILE H H 8.208 0.0064 . 335 35 33 ILE HA H 3.379 0.0064 . 336 35 33 ILE HB H 1.635 0.0064 . 337 35 33 ILE HG12 H 0.579 0.0064 . 338 35 33 ILE HG13 H 1.513 0.0064 . 339 35 33 ILE HG2 H 0.842 0.0064 . 340 35 33 ILE HD1 H -0.008 0.0064 . 341 35 33 ILE CA C 65.674 0.1484 . 342 35 33 ILE CB C 37.802 0.1484 . 343 35 33 ILE CG1 C 29.680 0.1484 . 344 35 33 ILE CG2 C 17.683 0.1484 . 345 35 33 ILE CD1 C 12.754 0.1484 . 346 35 33 ILE N N 119.048 0.0254 . 347 36 34 LEU H H 8.289 0.0064 . 348 36 34 LEU HA H 3.837 0.0064 . 349 36 34 LEU HB2 H 1.435 0.0064 . 350 36 34 LEU HB3 H 1.830 0.0064 . 351 36 34 LEU HG H 1.910 0.0064 . 352 36 34 LEU HD2 H 0.741 0.0064 . 353 36 34 LEU CA C 58.091 0.1484 . 354 36 34 LEU CB C 40.694 0.1484 . 355 36 34 LEU CG C 26.295 0.1484 . 356 36 34 LEU CD2 C 22.736 0.1484 . 357 36 34 LEU N N 116.792 0.0254 . 358 37 35 SER H H 8.297 0.0064 . 359 37 35 SER HA H 4.042 0.0064 . 360 37 35 SER HB2 H 3.877 0.0064 . 361 37 35 SER HB3 H 3.968 0.0064 . 362 37 35 SER CA C 61.648 0.1484 . 363 37 35 SER CB C 62.304 0.1484 . 364 37 35 SER N N 113.430 0.0254 . 365 38 36 GLU H H 7.699 0.0064 . 366 38 36 GLU HA H 4.379 0.0064 . 367 38 36 GLU HB2 H 1.968 0.0064 . 368 38 36 GLU HB3 H 1.968 0.0064 . 369 38 36 GLU HG2 H 2.153 0.0064 . 370 38 36 GLU HG3 H 2.391 0.0064 . 371 38 36 GLU CA C 57.408 0.1484 . 372 38 36 GLU CB C 27.315 0.1484 . 373 38 36 GLU CG C 32.914 0.1484 . 374 38 36 GLU N N 119.783 0.0254 . 375 39 37 ILE H H 8.231 0.0064 . 376 39 37 ILE HA H 3.386 0.0064 . 377 39 37 ILE HB H 1.770 0.0064 . 378 39 37 ILE HG12 H 0.590 0.0064 . 379 39 37 ILE HG13 H 2.095 0.0064 . 380 39 37 ILE HG2 H 0.739 0.0064 . 381 39 37 ILE HD1 H 0.590 0.0064 . 382 39 37 ILE CA C 65.687 0.1484 . 383 39 37 ILE CB C 37.627 0.1484 . 384 39 37 ILE CG1 C 29.067 0.1484 . 385 39 37 ILE CG2 C 14.606 0.1484 . 386 39 37 ILE CD1 C 13.616 0.1484 . 387 39 37 ILE N N 121.980 0.0254 . 388 40 38 ALA H H 7.846 0.0064 . 389 40 38 ALA HA H 3.962 0.0064 . 390 40 38 ALA HB H 1.424 0.0064 . 391 40 38 ALA CA C 53.552 0.1484 . 392 40 38 ALA CB C 18.288 0.1484 . 393 40 38 ALA N N 117.263 0.0254 . 394 41 39 THR H H 7.210 0.0064 . 395 41 39 THR HA H 4.256 0.0064 . 396 41 39 THR HB H 4.355 0.0064 . 397 41 39 THR HG2 H 1.418 0.0064 . 398 41 39 THR CA C 62.756 0.1484 . 399 41 39 THR CB C 69.847 0.1484 . 400 41 39 THR CG2 C 20.912 0.1484 . 401 41 39 THR N N 106.764 0.0254 . 402 42 40 GLY H H 8.045 0.0064 . 403 42 40 GLY HA2 H 4.250 0.0064 . 404 42 40 GLY HA3 H 3.010 0.0064 . 405 42 40 GLY CA C 46.566 0.1484 . 406 42 40 GLY N N 107.934 0.0254 . 407 43 41 LYS H H 8.927 0.0064 . 408 43 41 LYS HA H 4.901 0.0064 . 409 43 41 LYS HB2 H 1.876 0.0064 . 410 43 41 LYS HB3 H 1.862 0.0064 . 411 43 41 LYS HG2 H 1.475 0.0064 . 412 43 41 LYS HG3 H 1.668 0.0064 . 413 43 41 LYS HD2 H 1.719 0.0064 . 414 43 41 LYS HD3 H 1.719 0.0064 . 415 43 41 LYS HE2 H 3.023 0.0064 . 416 43 41 LYS HE3 H 3.023 0.0064 . 417 43 41 LYS CA C 54.204 0.1484 . 418 43 41 LYS CB C 34.392 0.1484 . 419 43 41 LYS CG C 24.530 0.1484 . 420 43 41 LYS CD C 29.134 0.1484 . 421 43 41 LYS CE C 42.139 0.1484 . 422 43 41 LYS N N 123.814 0.0254 . 423 44 42 ARG H H 8.766 0.0064 . 424 44 42 ARG HA H 3.587 0.0064 . 425 44 42 ARG HB2 H 1.820 0.0064 . 426 44 42 ARG HB3 H 1.820 0.0064 . 427 44 42 ARG HG2 H 0.914 0.0064 . 428 44 42 ARG HG3 H 1.913 0.0064 . 429 44 42 ARG HD2 H 3.083 0.0064 . 430 44 42 ARG HD3 H 3.083 0.0064 . 431 44 42 ARG CA C 58.792 0.1484 . 432 44 42 ARG CB C 29.715 0.1484 . 433 44 42 ARG CG C 27.385 0.1484 . 434 44 42 ARG CD C 43.053 0.1484 . 435 44 42 ARG N N 126.933 0.0254 . 436 45 43 THR H H 8.491 0.0064 . 437 45 43 THR HA H 4.894 0.0064 . 438 45 43 THR HB H 4.565 0.0064 . 439 45 43 THR HG2 H 1.588 0.0064 . 440 45 43 THR CA C 60.605 0.1484 . 441 45 43 THR CB C 71.816 0.1484 . 442 45 43 THR CG2 C 22.159 0.1484 . 443 45 43 THR N N 118.103 0.0254 . 444 46 44 GLU H H 8.898 0.0064 . 445 46 44 GLU HA H 4.305 0.0064 . 446 46 44 GLU HB2 H 2.226 0.0064 . 447 46 44 GLU HB3 H 1.849 0.0064 . 448 46 44 GLU HG2 H 2.205 0.0064 . 449 46 44 GLU HG3 H 2.323 0.0064 . 450 46 44 GLU CA C 55.930 0.1484 . 451 46 44 GLU CB C 28.997 0.1484 . 452 46 44 GLU CG C 36.010 0.1484 . 453 46 44 GLU N N 116.715 0.0254 . 454 47 45 LYS H H 7.647 0.0064 . 455 47 45 LYS HA H 4.026 0.0064 . 456 47 45 LYS HB2 H 1.560 0.0064 . 457 47 45 LYS HB3 H 1.345 0.0064 . 458 47 45 LYS HG2 H 1.257 0.0064 . 459 47 45 LYS HG3 H 1.325 0.0064 . 460 47 45 LYS HE2 H 2.552 0.0064 . 461 47 45 LYS HE3 H 2.684 0.0064 . 462 47 45 LYS CA C 56.327 0.1484 . 463 47 45 LYS CB C 33.214 0.1484 . 464 47 45 LYS CG C 24.291 0.1484 . 465 47 45 LYS CE C 41.010 0.1484 . 466 47 45 LYS N N 121.036 0.0254 . 467 48 46 GLN H H 8.519 0.0064 . 468 48 46 GLN HA H 4.182 0.0064 . 469 48 46 GLN HB2 H 1.813 0.0064 . 470 48 46 GLN HB3 H 1.747 0.0064 . 471 48 46 GLN HG2 H 2.314 0.0064 . 472 48 46 GLN HG3 H 2.238 0.0064 . 473 48 46 GLN HE21 H 7.343 0.0064 . 474 48 46 GLN CA C 54.589 0.1484 . 475 48 46 GLN CB C 29.703 0.1484 . 476 48 46 GLN CG C 33.519 0.1484 . 477 48 46 GLN N N 121.939 0.0254 . 478 48 46 GLN NE2 N 112.165 0.0254 . 479 49 47 SER H H 8.630 0.0064 . 480 49 47 SER HA H 4.396 0.0064 . 481 49 47 SER HB2 H 3.299 0.0064 . 482 49 47 SER HB3 H 3.414 0.0064 . 483 49 47 SER CA C 56.653 0.1484 . 484 49 47 SER CB C 61.547 0.1484 . 485 49 47 SER N N 117.730 0.0254 . 486 50 48 ILE H H 8.461 0.0064 . 487 50 48 ILE HA H 4.437 0.0064 . 488 50 48 ILE HB H 2.142 0.0064 . 489 50 48 ILE HG12 H 0.911 0.0064 . 490 50 48 ILE HG13 H 1.094 0.0064 . 491 50 48 ILE HG2 H 0.718 0.0064 . 492 50 48 ILE HD1 H 0.763 0.0064 . 493 50 48 ILE CA C 60.192 0.1484 . 494 50 48 ILE CB C 39.746 0.1484 . 495 50 48 ILE CG1 C 25.994 0.1484 . 496 50 48 ILE CG2 C 18.115 0.1484 . 497 50 48 ILE CD1 C 13.927 0.1484 . 498 50 48 ILE N N 120.525 0.0254 . 499 51 49 GLN H H 6.956 0.0064 . 500 51 49 GLN HA H 4.668 0.0064 . 501 51 49 GLN HB2 H 2.035 0.0064 . 502 51 49 GLN HB3 H 1.783 0.0064 . 503 51 49 GLN HG2 H 2.186 0.0064 . 504 51 49 GLN HG3 H 2.090 0.0064 . 505 51 49 GLN HE21 H 7.294 0.0064 . 506 51 49 GLN HE22 H 6.650 0.0064 . 507 51 49 GLN CA C 53.648 0.1484 . 508 51 49 GLN CB C 31.453 0.1484 . 509 51 49 GLN CG C 32.745 0.1484 . 510 51 49 GLN N N 117.389 0.0254 . 511 51 49 GLN NE2 N 110.953 0.0254 . 512 52 50 ASP H H 8.171 0.0064 . 513 52 50 ASP HA H 4.039 0.0064 . 514 52 50 ASP HB2 H 2.502 0.0064 . 515 52 50 ASP HB3 H 2.502 0.0064 . 516 52 50 ASP CA C 56.116 0.1484 . 517 52 50 ASP CB C 41.379 0.1484 . 518 52 50 ASP N N 115.553 0.0254 . 519 53 51 TYR H H 6.843 0.0064 . 520 53 51 TYR HA H 4.137 0.0064 . 521 53 51 TYR HB2 H 2.469 0.0064 . 522 53 51 TYR HB3 H 2.126 0.0064 . 523 53 51 TYR HD1 H 6.843 0.0064 . 524 53 51 TYR HD2 H 6.843 0.0064 . 525 53 51 TYR HE1 H 6.805 0.0064 . 526 53 51 TYR HE2 H 6.805 0.0064 . 527 53 51 TYR CA C 53.788 0.1484 . 528 53 51 TYR CB C 38.105 0.1484 . 529 53 51 TYR CD2 C 136.119 0.1484 . 530 53 51 TYR CE1 C 119.438 0.1484 . 531 53 51 TYR N N 111.429 0.0254 . 532 54 52 PRO HA H 3.964 0.0064 . 533 54 52 PRO HB2 H 0.780 0.0064 . 534 54 52 PRO HB3 H 1.612 0.0064 . 535 54 52 PRO HG2 H 0.646 0.0064 . 536 54 52 PRO HG3 H 0.907 0.0064 . 537 54 52 PRO CA C 61.571 0.1484 . 538 54 52 PRO CB C 32.535 0.1484 . 539 54 52 PRO CG C 28.382 0.1484 . 540 55 53 SER H H 8.311 0.0064 . 541 55 53 SER HA H 4.129 0.0064 . 542 55 53 SER HB2 H 3.635 0.0064 . 543 55 53 SER HB3 H 3.691 0.0064 . 544 55 53 SER CA C 57.823 0.1484 . 545 55 53 SER CB C 62.692 0.1484 . 546 55 53 SER N N 114.071 0.0254 . 547 56 54 ALA H H 6.365 0.0064 . 548 56 54 ALA HA H 3.998 0.0064 . 549 56 54 ALA HB H 0.867 0.0064 . 550 56 54 ALA CA C 51.513 0.1484 . 551 56 54 ALA CB C 19.321 0.1484 . 552 56 54 ALA N N 123.584 0.0254 . 553 57 55 GLU H H 8.506 0.0064 . 554 57 55 GLU HA H 3.951 0.0064 . 555 57 55 GLU HB2 H 1.998 0.0064 . 556 57 55 GLU HB3 H 2.038 0.0064 . 557 57 55 GLU HG2 H 2.287 0.0064 . 558 57 55 GLU HG3 H 2.330 0.0064 . 559 57 55 GLU CA C 58.518 0.1484 . 560 57 55 GLU CB C 29.975 0.1484 . 561 57 55 GLU CG C 36.339 0.1484 . 562 57 55 GLU N N 119.864 0.0254 . 563 58 56 GLU H H 7.786 0.0064 . 564 58 56 GLU HA H 4.516 0.0064 . 565 58 56 GLU HB2 H 1.935 0.0064 . 566 58 56 GLU HB3 H 1.950 0.0064 . 567 58 56 GLU HG2 H 2.181 0.0064 . 568 58 56 GLU HG3 H 2.181 0.0064 . 569 58 56 GLU CA C 54.442 0.1484 . 570 58 56 GLU CB C 31.798 0.1484 . 571 58 56 GLU CG C 35.608 0.1484 . 572 58 56 GLU N N 114.761 0.0254 . 573 59 57 TYR H H 7.823 0.0064 . 574 59 57 TYR HA H 5.124 0.0064 . 575 59 57 TYR HB2 H 2.870 0.0064 . 576 59 57 TYR HB3 H 3.305 0.0064 . 577 59 57 TYR HD1 H 6.767 0.0064 . 578 59 57 TYR HD2 H 6.767 0.0064 . 579 59 57 TYR HE1 H 6.617 0.0064 . 580 59 57 TYR HE2 H 6.617 0.0064 . 581 59 57 TYR CA C 55.814 0.1484 . 582 59 57 TYR CB C 40.237 0.1484 . 583 59 57 TYR CD2 C 136.107 0.1484 . 584 59 57 TYR CE2 C 119.943 0.1484 . 585 59 57 TYR N N 117.366 0.0254 . 586 60 58 GLY H H 8.711 0.0064 . 587 60 58 GLY HA2 H 4.538 0.0064 . 588 60 58 GLY HA3 H 3.078 0.0064 . 589 60 58 GLY CA C 42.972 0.1484 . 590 60 58 GLY N N 109.114 0.0254 . 591 61 59 THR H H 8.791 0.0064 . 592 61 59 THR HA H 5.095 0.0064 . 593 61 59 THR HB H 4.229 0.0064 . 594 61 59 THR HG2 H 1.229 0.0064 . 595 61 59 THR CA C 62.587 0.1484 . 596 61 59 THR CB C 71.252 0.1484 . 597 61 59 THR CG2 C 22.161 0.1484 . 598 61 59 THR N N 114.830 0.0254 . 599 62 60 ILE H H 9.343 0.0064 . 600 62 60 ILE HA H 4.372 0.0064 . 601 62 60 ILE HB H 1.492 0.0064 . 602 62 60 ILE HG12 H 0.647 0.0064 . 603 62 60 ILE HG13 H 1.503 0.0064 . 604 62 60 ILE HG2 H 0.611 0.0064 . 605 62 60 ILE HD1 H 0.113 0.0064 . 606 62 60 ILE CA C 60.223 0.1484 . 607 62 60 ILE CB C 40.440 0.1484 . 608 62 60 ILE CG1 C 26.962 0.1484 . 609 62 60 ILE CG2 C 17.195 0.1484 . 610 62 60 ILE CD1 C 14.390 0.1484 . 611 62 60 ILE N N 126.252 0.0254 . 612 63 61 ASN H H 9.079 0.0064 . 613 63 61 ASN HA H 5.396 0.0064 . 614 63 61 ASN HB2 H 2.888 0.0064 . 615 63 61 ASN HB3 H 2.697 0.0064 . 616 63 61 ASN HD21 H 6.818 0.0064 . 617 63 61 ASN HD22 H 7.937 0.0064 . 618 63 61 ASN CA C 52.294 0.1484 . 619 63 61 ASN CB C 41.467 0.1484 . 620 63 61 ASN N N 125.280 0.0254 . 621 63 61 ASN ND2 N 115.511 0.0254 . 622 64 62 ILE H H 9.434 0.0064 . 623 64 62 ILE HA H 4.318 0.0064 . 624 64 62 ILE HB H 1.893 0.0064 . 625 64 62 ILE HG12 H 0.675 0.0064 . 626 64 62 ILE HG13 H 1.596 0.0064 . 627 64 62 ILE HG2 H 0.788 0.0064 . 628 64 62 ILE HD1 H 0.630 0.0064 . 629 64 62 ILE CA C 60.745 0.1484 . 630 64 62 ILE CB C 39.475 0.1484 . 631 64 62 ILE CG1 C 27.333 0.1484 . 632 64 62 ILE CG2 C 19.010 0.1484 . 633 64 62 ILE CD1 C 13.445 0.1484 . 634 64 62 ILE N N 124.610 0.0254 . 635 65 63 GLU H H 9.079 0.0064 . 636 65 63 GLU HA H 5.036 0.0064 . 637 65 63 GLU HB2 H 1.805 0.0064 . 638 65 63 GLU HB3 H 2.308 0.0064 . 639 65 63 GLU HG2 H 2.270 0.0064 . 640 65 63 GLU HG3 H 2.270 0.0064 . 641 65 63 GLU CA C 56.356 0.1484 . 642 65 63 GLU CB C 29.963 0.1484 . 643 65 63 GLU CG C 35.225 0.1484 . 644 65 63 GLU N N 134.083 0.0254 . 645 66 64 ASN H H 9.077 0.0064 . 646 66 64 ASN HA H 5.230 0.0064 . 647 66 64 ASN HB2 H 2.621 0.0064 . 648 66 64 ASN HB3 H 2.429 0.0064 . 649 66 64 ASN HD21 H 7.156 0.0064 . 650 66 64 ASN HD22 H 6.959 0.0064 . 651 66 64 ASN CA C 53.016 0.1484 . 652 66 64 ASN CB C 42.456 0.1484 . 653 66 64 ASN N N 122.728 0.0254 . 654 66 64 ASN ND2 N 111.079 0.0254 . 655 67 65 ASN H H 9.716 0.0064 . 656 67 65 ASN HA H 4.388 0.0064 . 657 67 65 ASN HB2 H 3.000 0.0064 . 658 67 65 ASN HB3 H 2.572 0.0064 . 659 67 65 ASN HD21 H 7.736 0.0064 . 660 67 65 ASN HD22 H 6.841 0.0064 . 661 67 65 ASN CA C 54.390 0.1484 . 662 67 65 ASN CB C 37.884 0.1484 . 663 67 65 ASN N N 121.354 0.0254 . 664 67 65 ASN ND2 N 112.561 0.0254 . 665 68 66 GLY H H 9.197 0.0064 . 666 68 66 GLY HA2 H 3.698 0.0064 . 667 68 66 GLY HA3 H 4.065 0.0064 . 668 68 66 GLY CA C 45.508 0.1484 . 669 68 66 GLY N N 105.595 0.0254 . 670 69 67 GLY H H 7.768 0.0064 . 671 69 67 GLY HA2 H 3.778 0.0064 . 672 69 67 GLY HA3 H 4.433 0.0064 . 673 69 67 GLY CA C 44.184 0.1484 . 674 69 67 GLY N N 108.798 0.0254 . 675 70 68 MET H H 8.373 0.0064 . 676 70 68 MET HA H 5.285 0.0064 . 677 70 68 MET HB2 H 1.894 0.0064 . 678 70 68 MET HB3 H 1.871 0.0064 . 679 70 68 MET HG2 H 2.435 0.0064 . 680 70 68 MET HG3 H 2.307 0.0064 . 681 70 68 MET CA C 53.338 0.1484 . 682 70 68 MET CB C 34.877 0.1484 . 683 70 68 MET CG C 31.963 0.1484 . 684 70 68 MET N N 118.771 0.0254 . 685 71 69 THR H H 8.845 0.0064 . 686 71 69 THR HA H 4.507 0.0064 . 687 71 69 THR HB H 3.830 0.0064 . 688 71 69 THR HG2 H 1.169 0.0064 . 689 71 69 THR CA C 62.231 0.1484 . 690 71 69 THR CB C 70.230 0.1484 . 691 71 69 THR CG2 C 21.571 0.1484 . 692 71 69 THR N N 123.288 0.0254 . 693 72 70 THR H H 8.570 0.0064 . 694 72 70 THR HA H 5.227 0.0064 . 695 72 70 THR HB H 3.568 0.0064 . 696 72 70 THR HG2 H 0.762 0.0064 . 697 72 70 THR CA C 61.916 0.1484 . 698 72 70 THR CB C 70.401 0.1484 . 699 72 70 THR CG2 C 22.405 0.1484 . 700 72 70 THR N N 125.625 0.0254 . 701 73 71 MET H H 9.062 0.0064 . 702 73 71 MET HA H 4.595 0.0064 . 703 73 71 MET HB2 H 2.046 0.0064 . 704 73 71 MET HB3 H 1.758 0.0064 . 705 73 71 MET HG2 H 2.122 0.0064 . 706 73 71 MET HG3 H 2.407 0.0064 . 707 73 71 MET HE H 1.734 0.0064 . 708 73 71 MET CA C 53.951 0.1484 . 709 73 71 MET CB C 36.486 0.1484 . 710 73 71 MET CG C 32.674 0.1484 . 711 73 71 MET CE C 17.900 0.1484 . 712 73 71 MET N N 122.763 0.0254 . 713 74 72 PHE H H 8.880 0.0064 . 714 74 72 PHE HA H 5.948 0.0064 . 715 74 72 PHE HB2 H 3.392 0.0064 . 716 74 72 PHE HB3 H 2.551 0.0064 . 717 74 72 PHE HD1 H 7.312 0.0064 . 718 74 72 PHE HD2 H 7.312 0.0064 . 719 74 72 PHE HE1 H 7.451 0.0064 . 720 74 72 PHE HE2 H 7.451 0.0064 . 721 74 72 PHE HZ H 7.521 0.0064 . 722 74 72 PHE CA C 55.631 0.1484 . 723 74 72 PHE CB C 44.964 0.1484 . 724 74 72 PHE CD1 C 134.563 0.1484 . 725 74 72 PHE CE1 C 134.011 0.1484 . 726 74 72 PHE CZ C 131.748 0.1484 . 727 74 72 PHE N N 116.718 0.0254 . 728 75 73 TYR H H 8.535 0.0064 . 729 75 73 TYR HA H 5.969 0.0064 . 730 75 73 TYR HB2 H 2.336 0.0064 . 731 75 73 TYR HB3 H 3.281 0.0064 . 732 75 73 TYR CA C 55.747 0.1484 . 733 75 73 TYR CB C 41.726 0.1484 . 734 75 73 TYR N N 116.719 0.0254 . 735 76 74 TYR H H 8.450 0.0064 . 736 76 74 TYR HA H 5.088 0.0064 . 737 76 74 TYR HB2 H 3.236 0.0064 . 738 76 74 TYR HB3 H 3.724 0.0064 . 739 76 74 TYR HD1 H 6.628 0.0064 . 740 76 74 TYR HD2 H 6.628 0.0064 . 741 76 74 TYR HE1 H 6.904 0.0064 . 742 76 74 TYR HE2 H 6.904 0.0064 . 743 76 74 TYR CA C 56.639 0.1484 . 744 76 74 TYR CB C 39.052 0.1484 . 745 76 74 TYR CD2 C 134.724 0.1484 . 746 76 74 TYR CE2 C 119.330 0.1484 . 747 76 74 TYR N N 113.637 0.0254 . 748 77 75 GLU H H 9.101 0.0064 . 749 77 75 GLU HA H 5.392 0.0064 . 750 77 75 GLU HB2 H 2.059 0.0064 . 751 77 75 GLU HB3 H 2.127 0.0064 . 752 77 75 GLU HG2 H 1.959 0.0064 . 753 77 75 GLU HG3 H 2.032 0.0064 . 754 77 75 GLU CA C 53.716 0.1484 . 755 77 75 GLU CB C 32.085 0.1484 . 756 77 75 GLU CG C 35.118 0.1484 . 757 77 75 GLU N N 120.898 0.0254 . 758 78 76 GLU H H 9.337 0.0064 . 759 78 76 GLU HA H 4.523 0.0064 . 760 78 76 GLU HB2 H 2.137 0.0064 . 761 78 76 GLU HB3 H 2.169 0.0064 . 762 78 76 GLU HG2 H 2.274 0.0064 . 763 78 76 GLU HG3 H 2.050 0.0064 . 764 78 76 GLU CA C 56.493 0.1484 . 765 78 76 GLU CB C 33.101 0.1484 . 766 78 76 GLU CG C 36.369 0.1484 . 767 78 76 GLU N N 124.267 0.0254 . 768 79 77 ASN H H 9.660 0.0064 . 769 79 77 ASN HA H 4.397 0.0064 . 770 79 77 ASN HB2 H 3.077 0.0064 . 771 79 77 ASN HB3 H 2.749 0.0064 . 772 79 77 ASN HD21 H 7.625 0.0064 . 773 79 77 ASN HD22 H 6.910 0.0064 . 774 79 77 ASN CA C 54.013 0.1484 . 775 79 77 ASN CB C 37.796 0.1484 . 776 79 77 ASN N N 126.584 0.0254 . 777 79 77 ASN ND2 N 112.236 0.0254 . 778 80 78 GLY H H 9.125 0.0064 . 779 80 78 GLY HA2 H 3.539 0.0064 . 780 80 78 GLY HA3 H 4.005 0.0064 . 781 80 78 GLY CA C 45.307 0.1484 . 782 80 78 GLY N N 104.640 0.0254 . 783 81 79 LYS H H 7.512 0.0064 . 784 81 79 LYS HA H 4.161 0.0064 . 785 81 79 LYS HB2 H 1.729 0.0064 . 786 81 79 LYS HB3 H 1.318 0.0064 . 787 81 79 LYS HG2 H 1.243 0.0064 . 788 81 79 LYS HG3 H 1.331 0.0064 . 789 81 79 LYS HD2 H 1.646 0.0064 . 790 81 79 LYS HD3 H 1.646 0.0064 . 791 81 79 LYS HE2 H 2.962 0.0064 . 792 81 79 LYS HE3 H 2.962 0.0064 . 793 81 79 LYS CA C 53.746 0.1484 . 794 81 79 LYS CB C 35.982 0.1484 . 795 81 79 LYS CG C 25.675 0.1484 . 796 81 79 LYS CD C 28.922 0.1484 . 797 81 79 LYS CE C 42.073 0.1484 . 798 81 79 LYS N N 119.535 0.0254 . 799 82 80 TYR H H 7.976 0.0064 . 800 82 80 TYR HA H 4.942 0.0064 . 801 82 80 TYR HB2 H 2.397 0.0064 . 802 82 80 TYR HB3 H 2.885 0.0064 . 803 82 80 TYR HD1 H 6.857 0.0064 . 804 82 80 TYR HD2 H 6.857 0.0064 . 805 82 80 TYR HE1 H 6.752 0.0064 . 806 82 80 TYR HE2 H 6.752 0.0064 . 807 82 80 TYR CA C 57.028 0.1484 . 808 82 80 TYR CB C 41.066 0.1484 . 809 82 80 TYR CD2 C 134.745 0.1484 . 810 82 80 TYR CE2 C 119.776 0.1484 . 811 82 80 TYR N N 118.732 0.0254 . 812 83 81 TYR H H 8.692 0.0064 . 813 83 81 TYR HA H 5.585 0.0064 . 814 83 81 TYR HB2 H 2.477 0.0064 . 815 83 81 TYR HB3 H 1.544 0.0064 . 816 83 81 TYR HD1 H 6.685 0.0064 . 817 83 81 TYR HD2 H 6.685 0.0064 . 818 83 81 TYR HE1 H 6.773 0.0064 . 819 83 81 TYR HE2 H 6.773 0.0064 . 820 83 81 TYR CA C 56.497 0.1484 . 821 83 81 TYR CB C 42.970 0.1484 . 822 83 81 TYR CD1 C 135.286 0.1484 . 823 83 81 TYR CE1 C 119.108 0.1484 . 824 83 81 TYR N N 116.197 0.0254 . 825 84 82 ILE H H 9.206 0.0064 . 826 84 82 ILE HA H 5.097 0.0064 . 827 84 82 ILE HB H 1.600 0.0064 . 828 84 82 ILE HG12 H 1.033 0.0064 . 829 84 82 ILE HG13 H 1.512 0.0064 . 830 84 82 ILE HG2 H 0.768 0.0064 . 831 84 82 ILE HD1 H 0.589 0.0064 . 832 84 82 ILE CA C 58.655 0.1484 . 833 84 82 ILE CB C 41.151 0.1484 . 834 84 82 ILE CG1 C 27.443 0.1484 . 835 84 82 ILE CG2 C 17.212 0.1484 . 836 84 82 ILE CD1 C 13.654 0.1484 . 837 84 82 ILE N N 116.822 0.0254 . 838 85 83 GLU H H 9.777 0.0064 . 839 85 83 GLU HA H 5.248 0.0064 . 840 85 83 GLU HB2 H 2.201 0.0064 . 841 85 83 GLU HB3 H 2.003 0.0064 . 842 85 83 GLU HG2 H 2.054 0.0064 . 843 85 83 GLU HG3 H 2.054 0.0064 . 844 85 83 GLU CA C 54.193 0.1484 . 845 85 83 GLU CB C 34.109 0.1484 . 846 85 83 GLU CG C 34.702 0.1484 . 847 85 83 GLU N N 127.545 0.0254 . 848 86 84 CYS H H 9.194 0.0064 . 849 86 84 CYS HA H 5.172 0.0064 . 850 86 84 CYS HB2 H 3.011 0.0064 . 851 86 84 CYS HB3 H 3.140 0.0064 . 852 86 84 CYS CA C 55.021 0.1484 . 853 86 84 CYS CB C 28.673 0.1484 . 854 86 84 CYS N N 127.124 0.0254 . 855 87 85 PRO HA H 4.309 0.0064 . 856 87 85 PRO HB2 H 2.286 0.0064 . 857 87 85 PRO HB3 H 1.946 0.0064 . 858 87 85 PRO HG2 H 2.187 0.0064 . 859 87 85 PRO HG3 H 2.227 0.0064 . 860 87 85 PRO HD2 H 4.096 0.0064 . 861 87 85 PRO HD3 H 3.969 0.0064 . 862 87 85 PRO CA C 64.048 0.1484 . 863 87 85 PRO CB C 31.792 0.1484 . 864 87 85 PRO CG C 27.811 0.1484 . 865 87 85 PRO CD C 51.459 0.1484 . 866 88 86 TYR H H 8.117 0.0064 . 867 88 86 TYR HA H 4.126 0.0064 . 868 88 86 TYR HB2 H 3.209 0.0064 . 869 88 86 TYR HB3 H 3.277 0.0064 . 870 88 86 TYR HD1 H 6.906 0.0064 . 871 88 86 TYR HD2 H 6.906 0.0064 . 872 88 86 TYR HE1 H 6.625 0.0064 . 873 88 86 TYR HE2 H 6.625 0.0064 . 874 88 86 TYR CA C 60.962 0.1484 . 875 88 86 TYR CB C 35.459 0.1484 . 876 88 86 TYR CD1 C 134.569 0.1484 . 877 88 86 TYR CE1 C 119.372 0.1484 . 878 88 86 TYR N N 114.474 0.0254 . 879 89 87 LYS H H 8.871 0.0064 . 880 89 87 LYS HA H 4.754 0.0064 . 881 89 87 LYS HB2 H 1.692 0.0064 . 882 89 87 LYS HB3 H 1.984 0.0064 . 883 89 87 LYS HG2 H 1.578 0.0064 . 884 89 87 LYS HG3 H 1.431 0.0064 . 885 89 87 LYS HD2 H 1.653 0.0064 . 886 89 87 LYS HD3 H 1.753 0.0064 . 887 89 87 LYS HE2 H 3.033 0.0064 . 888 89 87 LYS HE3 H 3.033 0.0064 . 889 89 87 LYS CA C 56.623 0.1484 . 890 89 87 LYS CB C 34.813 0.1484 . 891 89 87 LYS CG C 25.047 0.1484 . 892 89 87 LYS CD C 28.911 0.1484 . 893 89 87 LYS CE C 42.240 0.1484 . 894 89 87 LYS N N 119.602 0.0254 . 895 90 88 GLY H H 8.325 0.0064 . 896 90 88 GLY HA2 H 3.931 0.0064 . 897 90 88 GLY HA3 H 3.852 0.0064 . 898 90 88 GLY CA C 46.241 0.1484 . 899 90 88 GLY N N 104.928 0.0254 . 900 91 89 ILE H H 8.658 0.0064 . 901 91 89 ILE HA H 4.601 0.0064 . 902 91 89 ILE HB H 1.312 0.0064 . 903 91 89 ILE HG12 H 0.619 0.0064 . 904 91 89 ILE HG13 H 1.317 0.0064 . 905 91 89 ILE HG2 H 0.589 0.0064 . 906 91 89 ILE HD1 H 0.408 0.0064 . 907 91 89 ILE CA C 61.617 0.1484 . 908 91 89 ILE CB C 38.976 0.1484 . 909 91 89 ILE CG1 C 29.537 0.1484 . 910 91 89 ILE CG2 C 18.022 0.1484 . 911 91 89 ILE CD1 C 13.457 0.1484 . 912 91 89 ILE N N 121.198 0.0254 . 913 92 90 TYR H H 10.120 0.0064 . 914 92 90 TYR HA H 5.063 0.0064 . 915 92 90 TYR HB2 H 2.900 0.0064 . 916 92 90 TYR HB3 H 2.411 0.0064 . 917 92 90 TYR HD1 H 6.967 0.0064 . 918 92 90 TYR HD2 H 6.967 0.0064 . 919 92 90 TYR HE1 H 6.547 0.0064 . 920 92 90 TYR HE2 H 6.547 0.0064 . 921 92 90 TYR CA C 55.597 0.1484 . 922 92 90 TYR CB C 39.723 0.1484 . 923 92 90 TYR CD2 C 135.295 0.1484 . 924 92 90 TYR CE2 C 119.687 0.1484 . 925 92 90 TYR N N 128.842 0.0254 . 926 93 91 GLU H H 9.349 0.0064 . 927 93 91 GLU HA H 4.884 0.0064 . 928 93 91 GLU HB2 H 1.899 0.0064 . 929 93 91 GLU HB3 H 1.949 0.0064 . 930 93 91 GLU HG2 H 2.236 0.0064 . 931 93 91 GLU HG3 H 2.163 0.0064 . 932 93 91 GLU CA C 55.607 0.1484 . 933 93 91 GLU CB C 31.057 0.1484 . 934 93 91 GLU CG C 35.921 0.1484 . 935 93 91 GLU N N 125.360 0.0254 . 936 94 92 ILE H H 8.610 0.0064 . 937 94 92 ILE HA H 4.815 0.0064 . 938 94 92 ILE HB H 1.914 0.0064 . 939 94 92 ILE HG12 H 1.560 0.0064 . 940 94 92 ILE HG13 H 0.657 0.0064 . 941 94 92 ILE HG2 H 0.800 0.0064 . 942 94 92 ILE HD1 H 0.976 0.0064 . 943 94 92 ILE CA C 59.704 0.1484 . 944 94 92 ILE CB C 41.348 0.1484 . 945 94 92 ILE CG1 C 25.831 0.1484 . 946 94 92 ILE CG2 C 18.529 0.1484 . 947 94 92 ILE CD1 C 14.254 0.1484 . 948 94 92 ILE N N 121.356 0.0254 . 949 95 93 GLU H H 8.481 0.0064 . 950 95 93 GLU HA H 4.079 0.0064 . 951 95 93 GLU HB2 H 1.869 0.0064 . 952 95 93 GLU HB3 H 2.013 0.0064 . 953 95 93 GLU HG2 H 2.301 0.0064 . 954 95 93 GLU HG3 H 2.231 0.0064 . 955 95 93 GLU CA C 58.286 0.1484 . 956 95 93 GLU CB C 31.013 0.1484 . 957 95 93 GLU CG C 36.498 0.1484 . 958 95 93 GLU N N 117.347 0.0254 . 959 96 94 ASN H H 7.316 0.0064 . 960 96 94 ASN HA H 4.375 0.0064 . 961 96 94 ASN HB2 H 2.383 0.0064 . 962 96 94 ASN HB3 H 2.136 0.0064 . 963 96 94 ASN HD21 H 7.412 0.0064 . 964 96 94 ASN HD22 H 6.841 0.0064 . 965 96 94 ASN CA C 50.341 0.1484 . 966 96 94 ASN CB C 42.474 0.1484 . 967 96 94 ASN N N 113.266 0.0254 . 968 96 94 ASN ND2 N 112.686 0.0254 . 969 97 95 ASN H H 7.066 0.0064 . 970 97 95 ASN HA H 3.596 0.0064 . 971 97 95 ASN HB2 H 2.518 0.0064 . 972 97 95 ASN HB3 H 2.133 0.0064 . 973 97 95 ASN HD21 H 7.134 0.0064 . 974 97 95 ASN HD22 H 7.505 0.0064 . 975 97 95 ASN CA C 52.754 0.1484 . 976 97 95 ASN CB C 37.884 0.1484 . 977 97 95 ASN N N 114.285 0.0254 . 978 97 95 ASN ND2 N 112.231 0.0254 . 979 98 96 PHE H H 8.139 0.0064 . 980 98 96 PHE HA H 3.668 0.0064 . 981 98 96 PHE HB2 H 2.651 0.0064 . 982 98 96 PHE HB3 H 1.874 0.0064 . 983 98 96 PHE HD1 H 6.242 0.0064 . 984 98 96 PHE HD2 H 6.242 0.0064 . 985 98 96 PHE HE1 H 6.692 0.0064 . 986 98 96 PHE HE2 H 6.692 0.0064 . 987 98 96 PHE HZ H 6.745 0.0064 . 988 98 96 PHE CA C 61.697 0.1484 . 989 98 96 PHE CB C 39.473 0.1484 . 990 98 96 PHE CD1 C 133.214 0.1484 . 991 98 96 PHE CE2 C 131.724 0.1484 . 992 98 96 PHE CZ C 130.381 0.1484 . 993 98 96 PHE N N 128.617 0.0254 . 994 99 97 GLU H H 7.513 0.0064 . 995 99 97 GLU HA H 3.496 0.0064 . 996 99 97 GLU HB2 H 2.059 0.0064 . 997 99 97 GLU HB3 H 1.820 0.0064 . 998 99 97 GLU HG2 H 2.354 0.0064 . 999 99 97 GLU HG3 H 2.692 0.0064 . 1000 99 97 GLU CA C 58.129 0.1484 . 1001 99 97 GLU CB C 28.467 0.1484 . 1002 99 97 GLU CG C 36.812 0.1484 . 1003 99 97 GLU N N 109.793 0.0254 . 1004 100 98 ASP H H 7.486 0.0064 . 1005 100 98 ASP HA H 4.522 0.0064 . 1006 100 98 ASP HB2 H 2.636 0.0064 . 1007 100 98 ASP HB3 H 2.417 0.0064 . 1008 100 98 ASP CA C 54.600 0.1484 . 1009 100 98 ASP CB C 40.847 0.1484 . 1010 100 98 ASP N N 115.325 0.0254 . 1011 101 99 MET H H 7.309 0.0064 . 1012 101 99 MET HA H 4.168 0.0064 . 1013 101 99 MET HB2 H 1.956 0.0064 . 1014 101 99 MET HB3 H 1.523 0.0064 . 1015 101 99 MET HG2 H 2.194 0.0064 . 1016 101 99 MET HG3 H 2.155 0.0064 . 1017 101 99 MET CA C 55.402 0.1484 . 1018 101 99 MET CB C 33.073 0.1484 . 1019 101 99 MET CG C 31.224 0.1484 . 1020 101 99 MET N N 117.035 0.0254 . 1021 102 100 ILE H H 6.295 0.0064 . 1022 102 100 ILE HA H 3.763 0.0064 . 1023 102 100 ILE HB H 1.572 0.0064 . 1024 102 100 ILE HG12 H 0.566 0.0064 . 1025 102 100 ILE HG13 H 0.999 0.0064 . 1026 102 100 ILE HG2 H 0.208 0.0064 . 1027 102 100 ILE HD1 H 0.561 0.0064 . 1028 102 100 ILE CA C 62.067 0.1484 . 1029 102 100 ILE CB C 39.076 0.1484 . 1030 102 100 ILE CG1 C 25.523 0.1484 . 1031 102 100 ILE CG2 C 18.749 0.1484 . 1032 102 100 ILE CD1 C 14.281 0.1484 . 1033 102 100 ILE N N 116.769 0.0254 . stop_ save_