data_16389 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of protein of unknown function (NP_247299.1) from Methanococcus jannaschii ; _BMRB_accession_number 16389 _BMRB_flat_file_name bmr16389.str _Entry_type original _Submission_date 2009-06-30 _Accession_date 2009-06-30 _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 Jaudzems Kristaps . . 2 Mohanty Biswaranjan . . 3 Geralt Michael . . 4 Serrano Pedro . . 5 Wilson Ian . . 6 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" 663 "13C chemical shifts" 367 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-19 original author . stop_ _Original_release_date 2011-05-19 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the protein NP_247299.1: comparison with the crystal structure.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20944234 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jaudzems Kristaps . . 2 Geralt Michael . . 3 Serrano Pedro . . 4 Mohanty Biswaranjan . . 5 Horst Reto . . 6 Pedrini Bill . . 7 Elsliger 'Marc Andre' . . 8 Wilson Ian A. . 9 Wuthrich Kurt . . stop_ _Journal_abbreviation 'Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun.' _Journal_name_full 'Acta crystallographica. Section F, Structural biology and crystallization communications' _Journal_volume 66 _Journal_issue 'Pt 10' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1367 _Page_last 1380 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NP_247299.1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NP_247299.1 $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 NP_247299.1 _Molecular_mass 12109.914 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; GHMINMKVAISMDVDKISNS FEDCKYFLIVRIDDNEVKST KVIFNDESGKKSIVKENVNA IICKNISEENYKKFSKKIEI YHAEGDDVDKNISLFIEGEL SKISNP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 MET 4 ILE 5 ASN 6 MET 7 LYS 8 VAL 9 ALA 10 ILE 11 SER 12 MET 13 ASP 14 VAL 15 ASP 16 LYS 17 ILE 18 SER 19 ASN 20 SER 21 PHE 22 GLU 23 ASP 24 CYS 25 LYS 26 TYR 27 PHE 28 LEU 29 ILE 30 VAL 31 ARG 32 ILE 33 ASP 34 ASP 35 ASN 36 GLU 37 VAL 38 LYS 39 SER 40 THR 41 LYS 42 VAL 43 ILE 44 PHE 45 ASN 46 ASP 47 GLU 48 SER 49 GLY 50 LYS 51 LYS 52 SER 53 ILE 54 VAL 55 LYS 56 GLU 57 ASN 58 VAL 59 ASN 60 ALA 61 ILE 62 ILE 63 CYS 64 LYS 65 ASN 66 ILE 67 SER 68 GLU 69 GLU 70 ASN 71 TYR 72 LYS 73 LYS 74 PHE 75 SER 76 LYS 77 LYS 78 ILE 79 GLU 80 ILE 81 TYR 82 HIS 83 ALA 84 GLU 85 GLY 86 ASP 87 ASP 88 VAL 89 ASP 90 LYS 91 ASN 92 ILE 93 SER 94 LEU 95 PHE 96 ILE 97 GLU 98 GLY 99 GLU 100 LEU 101 SER 102 LYS 103 ILE 104 SER 105 ASN 106 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-09 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 2KLA "Nmr Structure Of A Putative Dinitrogenase (Mj0327) From Methanococcus Jannaschii" 100.00 106 100.00 100.00 1.39e-65 PDB 2QTD "Crystal Structure Of A Putative Dinitrogenase (Mj0327) From Methanocaldococcus Jannaschii Dsm At 1.70 A Resolution" 97.17 105 98.06 98.06 3.14e-60 GB AAB98315 "hypothetical protein MJ_0327 [Methanocaldococcus jannaschii DSM 2661]" 98.11 104 100.00 100.00 2.47e-63 SP Q57773 "RecName: Full=Uncharacterized protein MJ0327" 98.11 104 100.00 100.00 2.47e-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 $entity 'Methanococcus jannaschii' 2190 Archaea . Methanococcus jannaschii 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 BL21DE3 pET28b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.9 mM [U-98% 13C; U-98% 15N]' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.9 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' H2O 95 % 'natural abundance' H2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'P.GUNTERT ET AL.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_OPAL _Saveframe_category software _Name OPAL _Version . loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_UNIO _Saveframe_category software _Name UNIO _Version 1.0.2 loop_ _Vendor _Address _Electronic_address 'T. Herrmann, F. Fiorito, J. Volk' . http://perso.ens-lyon.fr/torsten.herrmann/Herrmann/Software.html stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 'structure solution' stop_ _Details ; includes MATCH for automated backbone assignment, ATNOS/ASCAN for automated sidechain assignment, ATNOS/CANDID for automated NMR structure calculation ; save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address Keller . . stop_ loop_ _Task 'chemical shift assignment' 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_[15N,1H]-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [15N,1H]-HSQC' _Sample_label $sample_1 save_ save_5D_APSY-HACACONH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY-HACACONH' _Sample_label $sample_1 save_ save_4D_APSY-HACANH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '4D APSY-HACANH' _Sample_label $sample_1 save_ save_5D_APSY-CBCACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY-CBCACONH' _Sample_label $sample_1 save_ save_3D_15N-RESOLVED_[1H,1H]-NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-RESOLVED [1H,1H]-NOESY' _Sample_label $sample_1 save_ save_3D_13C(aliphatic)-RESOLVED_[1H,1H]-NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C(aliphatic)-RESOLVED [1H,1H]-NOESY' _Sample_label $sample_1 save_ save_3D_13C(aromatic)-RESOLVED_[1H,1H]-NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C(aromatic)-RESOLVED [1H,1H]-NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.029 . M pH 6.5 . pH pressure 1 . atm temperature 313 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.607 internal indirect . . . 0.2514508431572067088596855732873791566817 water H 1 protons ppm 4.607 internal direct . . . 1.00000000000 water N 15 protons ppm 4.607 internal indirect . . . 0.1013291102666951859414146835947079239304 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_ _Software_label $UNIO $CARA stop_ loop_ _Experiment_label '5D APSY-HACACONH' '4D APSY-HACANH' '5D APSY-CBCACONH' '3D 15N-RESOLVED [1H,1H]-NOESY' '3D 13C(aliphatic)-RESOLVED [1H,1H]-NOESY' '3D 13C(aromatic)-RESOLVED [1H,1H]-NOESY' 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 NP_247299.1 _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 1 1 GLY HA2 H 3.733 0.020 1 2 1 1 GLY HA3 H 3.733 0.020 1 3 1 1 GLY CA C 43.723 0.400 1 4 2 2 HIS HA H 4.670 0.020 1 5 2 2 HIS HB2 H 2.966 0.020 2 6 2 2 HIS HB3 H 3.047 0.020 2 7 2 2 HIS HD2 H 6.970 0.020 1 8 2 2 HIS HE1 H 8.038 0.020 1 9 2 2 HIS CA C 55.847 0.400 1 10 2 2 HIS CB C 30.960 0.400 1 11 2 2 HIS CD2 C 119.410 0.400 1 12 2 2 HIS CE1 C 137.776 0.400 1 13 3 3 MET H H 8.608 0.020 1 14 3 3 MET HA H 4.426 0.020 1 15 3 3 MET HB2 H 1.933 0.020 2 16 3 3 MET HB3 H 1.737 0.020 2 17 3 3 MET HE H 2.135 0.020 1 18 3 3 MET HG2 H 2.406 0.020 2 19 3 3 MET HG3 H 2.243 0.020 2 20 3 3 MET CA C 56.001 0.400 1 21 3 3 MET CB C 33.980 0.400 1 22 3 3 MET CE C 17.554 0.400 1 23 3 3 MET CG C 32.825 0.400 1 24 3 3 MET N N 124.058 0.400 1 25 4 4 ILE H H 8.342 0.020 1 26 4 4 ILE HA H 4.368 0.020 1 27 4 4 ILE HB H 1.823 0.020 1 28 4 4 ILE HD1 H 0.746 0.020 1 29 4 4 ILE HG12 H 1.358 0.020 2 30 4 4 ILE HG13 H 1.155 0.020 2 31 4 4 ILE HG2 H 0.842 0.020 1 32 4 4 ILE CA C 60.388 0.400 1 33 4 4 ILE CB C 40.287 0.400 1 34 4 4 ILE CD1 C 13.140 0.400 1 35 4 4 ILE CG1 C 27.113 0.400 1 36 4 4 ILE CG2 C 18.222 0.400 1 37 4 4 ILE N N 123.340 0.400 1 38 5 5 ASN H H 8.803 0.020 1 39 5 5 ASN HA H 4.768 0.020 1 40 5 5 ASN HB2 H 2.606 0.020 2 41 5 5 ASN HB3 H 2.941 0.020 2 42 5 5 ASN HD21 H 7.553 0.020 2 43 5 5 ASN HD22 H 6.840 0.020 2 44 5 5 ASN CA C 53.982 0.400 1 45 5 5 ASN CB C 39.269 0.400 1 46 5 5 ASN N N 123.739 0.400 1 47 5 5 ASN ND2 N 112.474 0.400 1 48 6 6 MET H H 8.423 0.020 1 49 6 6 MET HA H 4.854 0.020 1 50 6 6 MET HB2 H 1.829 0.020 2 51 6 6 MET HB3 H 1.957 0.020 2 52 6 6 MET HE H 1.684 0.020 1 53 6 6 MET HG2 H 2.406 0.020 2 54 6 6 MET HG3 H 2.713 0.020 2 55 6 6 MET CA C 54.541 0.400 1 56 6 6 MET CB C 36.519 0.400 1 57 6 6 MET CE C 18.025 0.400 1 58 6 6 MET CG C 32.666 0.400 1 59 6 6 MET N N 118.661 0.400 1 60 7 7 LYS H H 9.032 0.020 1 61 7 7 LYS HA H 5.397 0.020 1 62 7 7 LYS HB2 H 1.754 0.020 2 63 7 7 LYS HB3 H 1.534 0.020 2 64 7 7 LYS HD2 H 1.589 0.020 1 65 7 7 LYS HD3 H 1.589 0.020 1 66 7 7 LYS HE2 H 2.919 0.020 2 67 7 7 LYS HE3 H 2.781 0.020 2 68 7 7 LYS HG2 H 1.390 0.020 2 69 7 7 LYS HG3 H 1.177 0.020 2 70 7 7 LYS CA C 55.470 0.400 1 71 7 7 LYS CB C 36.000 0.400 1 72 7 7 LYS CD C 29.448 0.400 1 73 7 7 LYS CE C 42.288 0.400 1 74 7 7 LYS CG C 26.121 0.400 1 75 7 7 LYS N N 124.170 0.400 1 76 8 8 VAL H H 9.079 0.020 1 77 8 8 VAL HA H 4.965 0.020 1 78 8 8 VAL HB H 1.474 0.020 1 79 8 8 VAL HG1 H 0.238 0.020 2 80 8 8 VAL HG2 H 0.314 0.020 2 81 8 8 VAL CA C 59.045 0.400 1 82 8 8 VAL CB C 35.412 0.400 1 83 8 8 VAL CG1 C 21.991 0.400 1 84 8 8 VAL CG2 C 20.474 0.400 1 85 8 8 VAL N N 124.710 0.400 1 86 9 9 ALA H H 8.706 0.020 1 87 9 9 ALA HA H 5.573 0.020 1 88 9 9 ALA HB H 1.101 0.020 1 89 9 9 ALA CA C 49.834 0.400 1 90 9 9 ALA CB C 22.290 0.400 1 91 9 9 ALA N N 126.816 0.400 1 92 10 10 ILE H H 9.275 0.020 1 93 10 10 ILE HA H 4.959 0.020 1 94 10 10 ILE HB H 1.675 0.020 1 95 10 10 ILE HD1 H 0.214 0.020 1 96 10 10 ILE HG12 H 1.477 0.020 2 97 10 10 ILE HG13 H 0.755 0.020 2 98 10 10 ILE HG2 H 0.730 0.020 1 99 10 10 ILE CA C 60.671 0.400 1 100 10 10 ILE CB C 41.190 0.400 1 101 10 10 ILE CD1 C 13.482 0.400 1 102 10 10 ILE CG1 C 28.862 0.400 1 103 10 10 ILE CG2 C 19.506 0.400 1 104 10 10 ILE N N 121.130 0.400 1 105 11 11 SER H H 7.946 0.020 1 106 11 11 SER HA H 4.102 0.020 1 107 11 11 SER HB2 H 3.579 0.020 2 108 11 11 SER HB3 H 4.084 0.020 2 109 11 11 SER CA C 55.160 0.400 1 110 11 11 SER CB C 66.325 0.400 1 111 11 11 SER N N 120.340 0.400 1 112 12 12 MET H H 8.839 0.020 1 113 12 12 MET HA H 4.907 0.020 1 114 12 12 MET HB2 H 0.294 0.020 2 115 12 12 MET HB3 H 1.332 0.020 2 116 12 12 MET HE H 1.637 0.020 1 117 12 12 MET HG2 H 1.995 0.020 2 118 12 12 MET HG3 H 2.125 0.020 2 119 12 12 MET CA C 54.210 0.400 1 120 12 12 MET CB C 32.895 0.400 1 121 12 12 MET CE C 16.027 0.400 1 122 12 12 MET CG C 32.342 0.400 1 123 12 12 MET N N 128.010 0.400 1 124 13 13 ASP H H 8.496 0.020 1 125 13 13 ASP HA H 4.805 0.020 1 126 13 13 ASP HB2 H 2.306 0.020 2 127 13 13 ASP HB3 H 2.735 0.020 2 128 13 13 ASP CA C 54.274 0.400 1 129 13 13 ASP CB C 41.702 0.400 1 130 13 13 ASP N N 123.104 0.400 1 131 14 14 VAL H H 8.381 0.020 1 132 14 14 VAL HA H 3.967 0.020 1 133 14 14 VAL HB H 2.087 0.020 1 134 14 14 VAL HG1 H 0.957 0.020 1 135 14 14 VAL HG2 H 0.957 0.020 1 136 14 14 VAL CA C 65.675 0.400 1 137 14 14 VAL CB C 31.738 0.400 1 138 14 14 VAL CG2 C 21.597 0.400 1 139 14 14 VAL N N 117.923 0.400 1 140 15 15 ASP H H 8.571 0.020 1 141 15 15 ASP HA H 4.584 0.020 1 142 15 15 ASP HB2 H 2.830 0.020 2 143 15 15 ASP HB3 H 2.616 0.020 2 144 15 15 ASP CA C 53.660 0.400 1 145 15 15 ASP CB C 41.220 0.400 1 146 15 15 ASP N N 117.294 0.400 1 147 16 16 LYS H H 7.528 0.020 1 148 16 16 LYS HA H 4.718 0.020 1 149 16 16 LYS HB2 H 1.722 0.020 2 150 16 16 LYS HB3 H 1.911 0.020 2 151 16 16 LYS HD2 H 1.537 0.020 2 152 16 16 LYS HD3 H 1.409 0.020 2 153 16 16 LYS HE2 H 2.776 0.020 2 154 16 16 LYS HE3 H 2.915 0.020 2 155 16 16 LYS HG2 H 1.245 0.020 2 156 16 16 LYS HG3 H 1.327 0.020 2 157 16 16 LYS CA C 54.490 0.400 1 158 16 16 LYS CB C 36.090 0.400 1 159 16 16 LYS CD C 29.867 0.400 1 160 16 16 LYS CE C 42.893 0.400 1 161 16 16 LYS CG C 23.897 0.400 1 162 16 16 LYS N N 117.860 0.400 1 163 17 17 ILE H H 8.268 0.020 1 164 17 17 ILE HA H 4.272 0.020 1 165 17 17 ILE HB H 1.410 0.020 1 166 17 17 ILE HD1 H 0.513 0.020 1 167 17 17 ILE HG12 H 1.467 0.020 2 168 17 17 ILE HG13 H 0.845 0.020 2 169 17 17 ILE HG2 H 0.962 0.020 1 170 17 17 ILE CA C 63.050 0.400 1 171 17 17 ILE CB C 38.693 0.400 1 172 17 17 ILE CD1 C 14.082 0.400 1 173 17 17 ILE CG1 C 29.247 0.400 1 174 17 17 ILE CG2 C 16.201 0.400 1 175 17 17 ILE N N 121.570 0.400 1 176 18 18 SER H H 7.888 0.020 1 177 18 18 SER HA H 4.098 0.020 1 178 18 18 SER HB2 H 3.215 0.020 2 179 18 18 SER HB3 H 4.085 0.020 2 180 18 18 SER CA C 58.685 0.400 1 181 18 18 SER CB C 65.146 0.400 1 182 18 18 SER N N 121.055 0.400 1 183 19 19 ASN H H 9.097 0.020 1 184 19 19 ASN HA H 4.329 0.020 1 185 19 19 ASN HB2 H 2.905 0.020 1 186 19 19 ASN HB3 H 2.905 0.020 1 187 19 19 ASN HD21 H 6.911 0.020 2 188 19 19 ASN HD22 H 7.757 0.020 2 189 19 19 ASN CA C 57.007 0.400 1 190 19 19 ASN CB C 38.840 0.400 1 191 19 19 ASN N N 121.758 0.400 1 192 19 19 ASN ND2 N 114.257 0.400 1 193 20 20 SER H H 8.221 0.020 1 194 20 20 SER HA H 4.892 0.020 1 195 20 20 SER HB2 H 4.157 0.020 2 196 20 20 SER HB3 H 3.869 0.020 2 197 20 20 SER CA C 57.688 0.400 1 198 20 20 SER CB C 67.802 0.400 1 199 20 20 SER N N 109.438 0.400 1 200 21 21 PHE H H 8.935 0.020 1 201 21 21 PHE HA H 3.914 0.020 1 202 21 21 PHE HB2 H 3.213 0.020 2 203 21 21 PHE HB3 H 3.314 0.020 2 204 21 21 PHE HD1 H 6.991 0.020 1 205 21 21 PHE HD2 H 6.991 0.020 1 206 21 21 PHE HE1 H 6.815 0.020 1 207 21 21 PHE HE2 H 6.815 0.020 1 208 21 21 PHE HZ H 6.243 0.020 1 209 21 21 PHE CA C 61.973 0.400 1 210 21 21 PHE CB C 40.520 0.400 1 211 21 21 PHE CD1 C 131.334 0.400 1 212 21 21 PHE CE1 C 131.378 0.400 1 213 21 21 PHE CZ C 129.662 0.400 1 214 21 21 PHE N N 122.127 0.400 1 215 22 22 GLU H H 8.777 0.020 1 216 22 22 GLU HA H 3.962 0.020 1 217 22 22 GLU HB2 H 2.195 0.020 2 218 22 22 GLU HB3 H 1.893 0.020 2 219 22 22 GLU HG2 H 2.189 0.020 2 220 22 22 GLU HG3 H 2.716 0.020 2 221 22 22 GLU CA C 61.417 0.400 1 222 22 22 GLU CB C 29.510 0.400 1 223 22 22 GLU CG C 39.821 0.400 1 224 22 22 GLU N N 115.810 0.400 1 225 23 23 ASP H H 7.802 0.020 1 226 23 23 ASP HA H 4.650 0.020 1 227 23 23 ASP HB2 H 2.619 0.020 2 228 23 23 ASP HB3 H 2.587 0.020 2 229 23 23 ASP CA C 53.375 0.400 1 230 23 23 ASP CB C 41.334 0.400 1 231 23 23 ASP N N 116.792 0.400 1 232 24 24 CYS H H 6.425 0.020 1 233 24 24 CYS HA H 4.332 0.020 1 234 24 24 CYS HB2 H 3.060 0.020 2 235 24 24 CYS HB3 H 2.920 0.020 2 236 24 24 CYS CA C 57.408 0.400 1 237 24 24 CYS CB C 27.450 0.400 1 238 24 24 CYS N N 115.802 0.400 1 239 25 25 LYS H H 8.393 0.020 1 240 25 25 LYS HA H 4.434 0.020 1 241 25 25 LYS HB2 H 2.178 0.020 2 242 25 25 LYS HB3 H 1.997 0.020 2 243 25 25 LYS HD2 H 1.851 0.020 1 244 25 25 LYS HD3 H 1.851 0.020 1 245 25 25 LYS HE2 H 2.969 0.020 1 246 25 25 LYS HE3 H 2.969 0.020 1 247 25 25 LYS HG2 H 1.578 0.020 2 248 25 25 LYS HG3 H 1.655 0.020 2 249 25 25 LYS CA C 57.590 0.400 1 250 25 25 LYS CB C 33.490 0.400 1 251 25 25 LYS CD C 30.068 0.400 1 252 25 25 LYS CE C 42.416 0.400 1 253 25 25 LYS CG C 25.984 0.400 1 254 25 25 LYS N N 121.530 0.400 1 255 26 26 TYR H H 7.853 0.020 1 256 26 26 TYR HA H 4.530 0.020 1 257 26 26 TYR HB2 H 2.720 0.020 2 258 26 26 TYR HB3 H 2.385 0.020 2 259 26 26 TYR HD1 H 6.555 0.020 1 260 26 26 TYR HD2 H 6.555 0.020 1 261 26 26 TYR HE1 H 6.546 0.020 1 262 26 26 TYR HE2 H 6.546 0.020 1 263 26 26 TYR CA C 55.781 0.400 1 264 26 26 TYR CB C 40.320 0.400 1 265 26 26 TYR CD1 C 133.750 0.400 1 266 26 26 TYR CE1 C 118.349 0.400 1 267 26 26 TYR N N 114.501 0.400 1 268 27 27 PHE H H 9.530 0.020 1 269 27 27 PHE HA H 4.986 0.020 1 270 27 27 PHE HB2 H 2.650 0.020 2 271 27 27 PHE HB3 H 2.412 0.020 2 272 27 27 PHE HD1 H 6.500 0.020 1 273 27 27 PHE HD2 H 6.500 0.020 1 274 27 27 PHE HE1 H 6.417 0.020 1 275 27 27 PHE HE2 H 6.417 0.020 1 276 27 27 PHE HZ H 6.020 0.020 1 277 27 27 PHE CA C 56.123 0.400 1 278 27 27 PHE CB C 41.217 0.400 1 279 27 27 PHE CD1 C 130.614 0.400 1 280 27 27 PHE CE1 C 130.936 0.400 1 281 27 27 PHE CZ C 129.934 0.400 1 282 27 27 PHE N N 117.254 0.400 1 283 28 28 LEU H H 8.808 0.020 1 284 28 28 LEU HA H 4.913 0.020 1 285 28 28 LEU HB2 H 1.371 0.020 2 286 28 28 LEU HB3 H 1.838 0.020 2 287 28 28 LEU HD1 H 0.846 0.020 2 288 28 28 LEU HD2 H 0.932 0.020 2 289 28 28 LEU HG H 1.358 0.020 1 290 28 28 LEU CA C 53.896 0.400 1 291 28 28 LEU CB C 45.306 0.400 1 292 28 28 LEU CD1 C 26.347 0.400 1 293 28 28 LEU CD2 C 24.017 0.400 1 294 28 28 LEU CG C 27.739 0.400 1 295 28 28 LEU N N 126.432 0.400 1 296 29 29 ILE H H 9.488 0.020 1 297 29 29 ILE HA H 4.937 0.020 1 298 29 29 ILE HB H 1.982 0.020 1 299 29 29 ILE HD1 H 0.537 0.020 1 300 29 29 ILE HG12 H 1.336 0.020 2 301 29 29 ILE HG13 H 1.105 0.020 2 302 29 29 ILE HG2 H 0.608 0.020 1 303 29 29 ILE CA C 58.747 0.400 1 304 29 29 ILE CB C 36.253 0.400 1 305 29 29 ILE CD1 C 11.750 0.400 1 306 29 29 ILE CG1 C 27.219 0.400 1 307 29 29 ILE CG2 C 17.490 0.400 1 308 29 29 ILE N N 127.710 0.400 1 309 30 30 VAL H H 9.387 0.020 1 310 30 30 VAL HA H 4.678 0.020 1 311 30 30 VAL HB H 1.949 0.020 1 312 30 30 VAL HG1 H 0.753 0.020 2 313 30 30 VAL HG2 H 0.838 0.020 2 314 30 30 VAL CA C 60.721 0.400 1 315 30 30 VAL CB C 34.480 0.400 1 316 30 30 VAL CG1 C 20.813 0.400 1 317 30 30 VAL CG2 C 22.592 0.400 1 318 30 30 VAL N N 127.670 0.400 1 319 31 31 ARG H H 8.447 0.020 1 320 31 31 ARG HA H 4.985 0.020 1 321 31 31 ARG HB2 H 1.501 0.020 2 322 31 31 ARG HB3 H 1.932 0.020 2 323 31 31 ARG HD2 H 3.165 0.020 2 324 31 31 ARG HD3 H 2.977 0.020 2 325 31 31 ARG HG2 H 1.482 0.020 2 326 31 31 ARG HG3 H 1.328 0.020 2 327 31 31 ARG CA C 55.383 0.400 1 328 31 31 ARG CB C 31.910 0.400 1 329 31 31 ARG CD C 43.690 0.400 1 330 31 31 ARG CG C 28.530 0.400 1 331 31 31 ARG N N 126.835 0.400 1 332 32 32 ILE H H 9.142 0.020 1 333 32 32 ILE HA H 4.739 0.020 1 334 32 32 ILE HB H 1.527 0.020 1 335 32 32 ILE HD1 H 0.742 0.020 1 336 32 32 ILE HG12 H 1.475 0.020 1 337 32 32 ILE HG13 H 1.475 0.020 1 338 32 32 ILE HG2 H 0.618 0.020 1 339 32 32 ILE CA C 60.184 0.400 1 340 32 32 ILE CB C 41.033 0.400 1 341 32 32 ILE CD1 C 14.788 0.400 1 342 32 32 ILE CG1 C 28.657 0.400 1 343 32 32 ILE CG2 C 17.494 0.400 1 344 32 32 ILE N N 129.118 0.400 1 345 33 33 ASP H H 8.671 0.020 1 346 33 33 ASP HA H 5.180 0.020 1 347 33 33 ASP HB2 H 2.488 0.020 2 348 33 33 ASP HB3 H 2.455 0.020 2 349 33 33 ASP CA C 53.826 0.400 1 350 33 33 ASP CB C 44.683 0.400 1 351 33 33 ASP N N 125.181 0.400 1 352 34 34 ASP H H 8.610 0.020 1 353 34 34 ASP HA H 4.067 0.020 1 354 34 34 ASP HB2 H 2.928 0.020 2 355 34 34 ASP HB3 H 2.518 0.020 2 356 34 34 ASP CA C 56.340 0.400 1 357 34 34 ASP CB C 39.750 0.400 1 358 34 34 ASP N N 124.701 0.400 1 359 35 35 ASN H H 7.987 0.020 1 360 35 35 ASN HA H 3.889 0.020 1 361 35 35 ASN HB2 H 3.035 0.020 2 362 35 35 ASN HB3 H 2.965 0.020 2 363 35 35 ASN HD21 H 6.801 0.020 2 364 35 35 ASN HD22 H 7.407 0.020 2 365 35 35 ASN CA C 55.225 0.400 1 366 35 35 ASN CB C 37.764 0.400 1 367 35 35 ASN N N 107.939 0.400 1 368 35 35 ASN ND2 N 111.726 0.400 1 369 36 36 GLU H H 7.711 0.020 1 370 36 36 GLU HA H 4.609 0.020 1 371 36 36 GLU HB2 H 1.860 0.020 2 372 36 36 GLU HB3 H 1.940 0.020 2 373 36 36 GLU HG2 H 2.174 0.020 1 374 36 36 GLU HG3 H 2.174 0.020 1 375 36 36 GLU CA C 54.840 0.400 1 376 36 36 GLU CB C 33.506 0.400 1 377 36 36 GLU CG C 36.157 0.400 1 378 36 36 GLU N N 117.349 0.400 1 379 37 37 VAL H H 8.661 0.020 1 380 37 37 VAL HA H 3.914 0.020 1 381 37 37 VAL HB H 1.951 0.020 1 382 37 37 VAL HG1 H 0.789 0.020 2 383 37 37 VAL HG2 H 0.855 0.020 2 384 37 37 VAL CA C 64.387 0.400 1 385 37 37 VAL CB C 31.743 0.400 1 386 37 37 VAL CG1 C 21.686 0.400 1 387 37 37 VAL CG2 C 22.461 0.400 1 388 37 37 VAL N N 123.207 0.400 1 389 38 38 LYS H H 9.125 0.020 1 390 38 38 LYS HA H 4.523 0.020 1 391 38 38 LYS HB2 H 1.854 0.020 2 392 38 38 LYS HB3 H 1.581 0.020 2 393 38 38 LYS HD2 H 1.680 0.020 2 394 38 38 LYS HD3 H 1.570 0.020 2 395 38 38 LYS HE2 H 2.980 0.020 1 396 38 38 LYS HE3 H 2.980 0.020 1 397 38 38 LYS HG2 H 1.534 0.020 2 398 38 38 LYS HG3 H 1.570 0.020 2 399 38 38 LYS CA C 55.274 0.400 1 400 38 38 LYS CB C 34.579 0.400 1 401 38 38 LYS CD C 28.370 0.400 1 402 38 38 LYS CE C 42.420 0.400 1 403 38 38 LYS CG C 24.767 0.400 1 404 38 38 LYS N N 127.569 0.400 1 405 39 39 SER H H 7.520 0.020 1 406 39 39 SER HA H 4.704 0.020 1 407 39 39 SER HB2 H 3.875 0.020 1 408 39 39 SER HB3 H 3.875 0.020 1 409 39 39 SER CA C 58.117 0.400 1 410 39 39 SER CB C 64.980 0.400 1 411 39 39 SER N N 110.898 0.400 1 412 40 40 THR H H 8.122 0.020 1 413 40 40 THR HA H 5.390 0.020 1 414 40 40 THR HB H 3.956 0.020 1 415 40 40 THR HG2 H 1.081 0.020 1 416 40 40 THR CA C 60.519 0.400 1 417 40 40 THR CB C 72.633 0.400 1 418 40 40 THR CG2 C 22.459 0.400 1 419 40 40 THR N N 112.018 0.400 1 420 41 41 LYS H H 8.641 0.020 1 421 41 41 LYS HA H 4.597 0.020 1 422 41 41 LYS HB2 H 1.721 0.020 1 423 41 41 LYS HB3 H 1.721 0.020 1 424 41 41 LYS HD2 H 1.534 0.020 1 425 41 41 LYS HD3 H 1.534 0.020 1 426 41 41 LYS HE2 H 2.755 0.020 1 427 41 41 LYS HE3 H 2.755 0.020 1 428 41 41 LYS HG2 H 1.182 0.020 2 429 41 41 LYS HG3 H 1.259 0.020 2 430 41 41 LYS CA C 55.610 0.400 1 431 41 41 LYS CB C 36.316 0.400 1 432 41 41 LYS CD C 29.889 0.400 1 433 41 41 LYS CE C 42.305 0.400 1 434 41 41 LYS CG C 24.913 0.400 1 435 41 41 LYS N N 120.890 0.400 1 436 42 42 VAL H H 8.150 0.020 1 437 42 42 VAL HA H 4.757 0.020 1 438 42 42 VAL HB H 1.552 0.020 1 439 42 42 VAL HG1 H 0.209 0.020 2 440 42 42 VAL HG2 H 0.540 0.020 2 441 42 42 VAL CA C 61.738 0.400 1 442 42 42 VAL CB C 34.630 0.400 1 443 42 42 VAL CG1 C 21.300 0.400 1 444 42 42 VAL CG2 C 21.088 0.400 1 445 42 42 VAL N N 121.400 0.400 1 446 43 43 ILE H H 8.659 0.020 1 447 43 43 ILE HA H 4.369 0.020 1 448 43 43 ILE HB H 1.704 0.020 1 449 43 43 ILE HD1 H 0.673 0.020 1 450 43 43 ILE HG12 H 1.391 0.020 2 451 43 43 ILE HG13 H 1.098 0.020 2 452 43 43 ILE HG2 H 1.050 0.020 1 453 43 43 ILE CA C 60.187 0.400 1 454 43 43 ILE CB C 42.009 0.400 1 455 43 43 ILE CD1 C 13.727 0.400 1 456 43 43 ILE CG1 C 27.549 0.400 1 457 43 43 ILE CG2 C 17.989 0.400 1 458 43 43 ILE N N 125.520 0.400 1 459 44 44 PHE H H 9.053 0.020 1 460 44 44 PHE HA H 4.308 0.020 1 461 44 44 PHE HB2 H 3.035 0.020 1 462 44 44 PHE HB3 H 3.035 0.020 1 463 44 44 PHE HD1 H 7.269 0.020 1 464 44 44 PHE HD2 H 7.269 0.020 1 465 44 44 PHE HE1 H 7.166 0.020 1 466 44 44 PHE HE2 H 7.166 0.020 1 467 44 44 PHE HZ H 7.020 0.020 1 468 44 44 PHE CA C 60.362 0.400 1 469 44 44 PHE CB C 39.435 0.400 1 470 44 44 PHE CD1 C 131.411 0.400 1 471 44 44 PHE CE1 C 131.445 0.400 1 472 44 44 PHE CZ C 129.759 0.400 1 473 44 44 PHE N N 127.064 0.400 1 474 45 45 ASN H H 7.661 0.020 1 475 45 45 ASN HA H 4.859 0.020 1 476 45 45 ASN HB2 H 2.619 0.020 2 477 45 45 ASN HB3 H 1.540 0.020 2 478 45 45 ASN HD21 H 5.948 0.020 2 479 45 45 ASN HD22 H 7.861 0.020 2 480 45 45 ASN CA C 52.427 0.400 1 481 45 45 ASN CB C 37.750 0.400 1 482 45 45 ASN N N 119.400 0.400 1 483 45 45 ASN ND2 N 112.164 0.400 1 484 46 46 ASP H H 7.851 0.020 1 485 46 46 ASP HA H 4.700 0.020 1 486 46 46 ASP HB2 H 2.797 0.020 2 487 46 46 ASP HB3 H 3.176 0.020 2 488 46 46 ASP CA C 52.273 0.400 1 489 46 46 ASP CB C 41.647 0.400 1 490 46 46 ASP N N 123.371 0.400 1 491 47 47 GLU H H 8.594 0.020 1 492 47 47 GLU HA H 4.036 0.020 1 493 47 47 GLU HB2 H 2.073 0.020 1 494 47 47 GLU HB3 H 2.073 0.020 1 495 47 47 GLU HG2 H 2.331 0.020 1 496 47 47 GLU HG3 H 2.331 0.020 1 497 47 47 GLU CA C 60.769 0.400 1 498 47 47 GLU CB C 29.524 0.400 1 499 47 47 GLU CG C 36.632 0.400 1 500 47 47 GLU N N 119.009 0.400 1 501 48 48 SER H H 8.189 0.020 1 502 48 48 SER HA H 4.325 0.020 1 503 48 48 SER HB2 H 3.956 0.020 1 504 48 48 SER HB3 H 3.956 0.020 1 505 48 48 SER CA C 61.267 0.400 1 506 48 48 SER CB C 63.288 0.400 1 507 48 48 SER N N 114.380 0.400 1 508 49 49 GLY H H 8.969 0.020 1 509 49 49 GLY HA2 H 4.689 0.020 2 510 49 49 GLY HA3 H 3.835 0.020 2 511 49 49 GLY CA C 47.894 0.400 1 512 49 49 GLY N N 115.036 0.400 1 513 50 50 LYS H H 8.432 0.020 1 514 50 50 LYS HA H 3.895 0.020 1 515 50 50 LYS HB2 H 1.941 0.020 2 516 50 50 LYS HB3 H 1.867 0.020 2 517 50 50 LYS HD2 H 1.701 0.020 1 518 50 50 LYS HD3 H 1.701 0.020 1 519 50 50 LYS HE2 H 2.982 0.020 1 520 50 50 LYS HE3 H 2.982 0.020 1 521 50 50 LYS HG2 H 1.424 0.020 2 522 50 50 LYS HG3 H 1.833 0.020 2 523 50 50 LYS CA C 60.624 0.400 1 524 50 50 LYS CB C 32.839 0.400 1 525 50 50 LYS CD C 29.790 0.400 1 526 50 50 LYS CE C 42.488 0.400 1 527 50 50 LYS CG C 26.942 0.400 1 528 50 50 LYS N N 119.788 0.400 1 529 51 51 LYS H H 7.463 0.020 1 530 51 51 LYS HA H 4.177 0.020 1 531 51 51 LYS HB2 H 2.009 0.020 2 532 51 51 LYS HB3 H 1.898 0.020 2 533 51 51 LYS HD2 H 1.703 0.020 1 534 51 51 LYS HD3 H 1.703 0.020 1 535 51 51 LYS HE2 H 2.981 0.020 1 536 51 51 LYS HE3 H 2.981 0.020 1 537 51 51 LYS HG2 H 1.455 0.020 2 538 51 51 LYS HG3 H 1.653 0.020 2 539 51 51 LYS CA C 59.201 0.400 1 540 51 51 LYS CB C 32.716 0.400 1 541 51 51 LYS CD C 29.774 0.400 1 542 51 51 LYS CE C 42.451 0.400 1 543 51 51 LYS CG C 25.837 0.400 1 544 51 51 LYS N N 117.430 0.400 1 545 52 52 SER H H 8.443 0.020 1 546 52 52 SER HA H 4.189 0.020 1 547 52 52 SER HB2 H 4.190 0.020 2 548 52 52 SER HB3 H 3.936 0.020 2 549 52 52 SER CA C 62.446 0.400 1 550 52 52 SER CB C 63.208 0.400 1 551 52 52 SER N N 117.609 0.400 1 552 53 53 ILE H H 8.022 0.020 1 553 53 53 ILE HA H 3.475 0.020 1 554 53 53 ILE HB H 1.693 0.020 1 555 53 53 ILE HD1 H -0.142 0.020 1 556 53 53 ILE HG12 H 0.643 0.020 2 557 53 53 ILE HG13 H 1.070 0.020 2 558 53 53 ILE HG2 H 0.498 0.020 1 559 53 53 ILE CA C 64.740 0.400 1 560 53 53 ILE CB C 37.420 0.400 1 561 53 53 ILE CD1 C 12.101 0.400 1 562 53 53 ILE CG1 C 28.557 0.400 1 563 53 53 ILE CG2 C 17.328 0.400 1 564 53 53 ILE N N 120.530 0.400 1 565 54 54 VAL H H 6.854 0.020 1 566 54 54 VAL HA H 3.739 0.020 1 567 54 54 VAL HB H 2.172 0.020 1 568 54 54 VAL HG1 H 1.056 0.020 2 569 54 54 VAL HG2 H 0.934 0.020 2 570 54 54 VAL CA C 65.809 0.400 1 571 54 54 VAL CB C 32.229 0.400 1 572 54 54 VAL CG1 C 22.518 0.400 1 573 54 54 VAL CG2 C 21.546 0.400 1 574 54 54 VAL N N 117.890 0.400 1 575 55 55 LYS H H 7.573 0.020 1 576 55 55 LYS HA H 4.076 0.020 1 577 55 55 LYS HB2 H 1.908 0.020 2 578 55 55 LYS HB3 H 1.856 0.020 2 579 55 55 LYS HD2 H 1.643 0.020 1 580 55 55 LYS HD3 H 1.643 0.020 1 581 55 55 LYS HE2 H 2.969 0.020 1 582 55 55 LYS HG2 H 1.503 0.020 2 583 55 55 LYS HG3 H 1.448 0.020 2 584 55 55 LYS CA C 58.390 0.400 1 585 55 55 LYS CB C 32.890 0.400 1 586 55 55 LYS CD C 29.167 0.400 1 587 55 55 LYS CE C 42.457 0.400 1 588 55 55 LYS CG C 25.264 0.400 1 589 55 55 LYS N N 120.590 0.400 1 590 56 56 GLU H H 7.686 0.020 1 591 56 56 GLU HA H 3.908 0.020 1 592 56 56 GLU HB2 H 1.958 0.020 2 593 56 56 GLU HB3 H 1.892 0.020 2 594 56 56 GLU HG2 H 2.156 0.020 1 595 56 56 GLU HG3 H 2.156 0.020 1 596 56 56 GLU CA C 56.904 0.400 1 597 56 56 GLU CB C 30.098 0.400 1 598 56 56 GLU CG C 36.575 0.400 1 599 56 56 GLU N N 116.772 0.400 1 600 57 57 ASN H H 7.826 0.020 1 601 57 57 ASN HA H 4.335 0.020 1 602 57 57 ASN HB2 H 2.972 0.020 2 603 57 57 ASN HB3 H 2.691 0.020 2 604 57 57 ASN HD21 H 6.694 0.020 2 605 57 57 ASN HD22 H 7.372 0.020 2 606 57 57 ASN CA C 54.255 0.400 1 607 57 57 ASN CB C 36.970 0.400 1 608 57 57 ASN N N 114.897 0.400 1 609 57 57 ASN ND2 N 112.555 0.400 1 610 58 58 VAL H H 7.531 0.020 1 611 58 58 VAL HA H 3.685 0.020 1 612 58 58 VAL HB H 2.025 0.020 1 613 58 58 VAL HG1 H 0.704 0.020 2 614 58 58 VAL HG2 H 0.774 0.020 2 615 58 58 VAL CA C 63.244 0.400 1 616 58 58 VAL CB C 32.251 0.400 1 617 58 58 VAL CG1 C 21.136 0.400 1 618 58 58 VAL CG2 C 23.192 0.400 1 619 58 58 VAL N N 113.320 0.400 1 620 59 59 ASN H H 8.951 0.020 1 621 59 59 ASN HA H 4.938 0.020 1 622 59 59 ASN HB2 H 3.178 0.020 2 623 59 59 ASN HB3 H 2.779 0.020 2 624 59 59 ASN HD21 H 7.876 0.020 2 625 59 59 ASN HD22 H 6.920 0.020 2 626 59 59 ASN CA C 55.620 0.400 1 627 59 59 ASN CB C 42.099 0.400 1 628 59 59 ASN N N 119.195 0.400 1 629 59 59 ASN ND2 N 110.526 0.400 1 630 60 60 ALA H H 7.782 0.020 1 631 60 60 ALA HA H 5.758 0.020 1 632 60 60 ALA HB H 1.408 0.020 1 633 60 60 ALA CA C 51.060 0.400 1 634 60 60 ALA CB C 23.326 0.400 1 635 60 60 ALA N N 120.420 0.400 1 636 61 61 ILE H H 8.758 0.020 1 637 61 61 ILE HA H 5.141 0.020 1 638 61 61 ILE HB H 1.291 0.020 1 639 61 61 ILE HD1 H 0.133 0.020 1 640 61 61 ILE HG12 H 1.369 0.020 2 641 61 61 ILE HG13 H 0.700 0.020 2 642 61 61 ILE HG2 H 0.780 0.020 1 643 61 61 ILE CA C 59.261 0.400 1 644 61 61 ILE CB C 43.620 0.400 1 645 61 61 ILE CD1 C 13.908 0.400 1 646 61 61 ILE CG1 C 29.118 0.400 1 647 61 61 ILE CG2 C 17.842 0.400 1 648 61 61 ILE N N 121.459 0.400 1 649 62 62 ILE H H 8.724 0.020 1 650 62 62 ILE HA H 4.809 0.020 1 651 62 62 ILE HB H 1.429 0.020 1 652 62 62 ILE HD1 H 0.212 0.020 1 653 62 62 ILE HG12 H 0.539 0.020 2 654 62 62 ILE HG13 H 1.103 0.020 2 655 62 62 ILE HG2 H 0.616 0.020 1 656 62 62 ILE CA C 60.987 0.400 1 657 62 62 ILE CB C 40.620 0.400 1 658 62 62 ILE CD1 C 13.490 0.400 1 659 62 62 ILE CG1 C 26.976 0.400 1 660 62 62 ILE CG2 C 17.414 0.400 1 661 62 62 ILE N N 125.685 0.400 1 662 63 63 CYS H H 8.704 0.020 1 663 63 63 CYS HA H 4.929 0.020 1 664 63 63 CYS HB2 H 3.012 0.020 2 665 63 63 CYS HB3 H 2.862 0.020 2 666 63 63 CYS CA C 55.502 0.400 1 667 63 63 CYS CB C 30.880 0.400 1 668 63 63 CYS N N 117.777 0.400 1 669 64 64 LYS H H 10.081 0.020 1 670 64 64 LYS HA H 4.167 0.020 1 671 64 64 LYS HB2 H 1.821 0.020 1 672 64 64 LYS HB3 H 1.821 0.020 1 673 64 64 LYS HD2 H 1.630 0.020 1 674 64 64 LYS HD3 H 1.630 0.020 1 675 64 64 LYS HE2 H 2.750 0.020 1 676 64 64 LYS HE3 H 2.750 0.020 1 677 64 64 LYS HG2 H 1.395 0.020 2 678 64 64 LYS HG3 H 1.216 0.020 2 679 64 64 LYS CA C 58.900 0.400 1 680 64 64 LYS CB C 33.630 0.400 1 681 64 64 LYS CD C 29.845 0.400 1 682 64 64 LYS CE C 42.174 0.400 1 683 64 64 LYS CG C 26.902 0.400 1 684 64 64 LYS N N 121.550 0.400 1 685 65 65 ASN H H 6.944 0.020 1 686 65 65 ASN HA H 4.894 0.020 1 687 65 65 ASN HB2 H 2.740 0.020 2 688 65 65 ASN HB3 H 2.645 0.020 2 689 65 65 ASN HD21 H 7.758 0.020 2 690 65 65 ASN HD22 H 6.870 0.020 2 691 65 65 ASN CA C 52.825 0.400 1 692 65 65 ASN CB C 43.331 0.400 1 693 65 65 ASN N N 112.640 0.400 1 694 65 65 ASN ND2 N 114.423 0.400 1 695 66 66 ILE H H 8.586 0.020 1 696 66 66 ILE HA H 5.285 0.020 1 697 66 66 ILE HB H 1.995 0.020 1 698 66 66 ILE HD1 H 0.076 0.020 1 699 66 66 ILE HG12 H 1.717 0.020 2 700 66 66 ILE HG13 H 1.417 0.020 2 701 66 66 ILE HG2 H 0.799 0.020 1 702 66 66 ILE CA C 60.315 0.400 1 703 66 66 ILE CB C 41.538 0.400 1 704 66 66 ILE CD1 C 13.488 0.400 1 705 66 66 ILE CG1 C 29.332 0.400 1 706 66 66 ILE CG2 C 15.495 0.400 1 707 66 66 ILE N N 122.263 0.400 1 708 67 67 SER H H 10.570 0.020 1 709 67 67 SER HA H 4.388 0.020 1 710 67 67 SER HB2 H 3.911 0.020 2 711 67 67 SER HB3 H 4.302 0.020 2 712 67 67 SER CA C 58.346 0.400 1 713 67 67 SER CB C 65.507 0.400 1 714 67 67 SER N N 126.043 0.400 1 715 68 68 GLU H H 8.952 0.020 1 716 68 68 GLU HA H 3.920 0.020 1 717 68 68 GLU HB2 H 2.075 0.020 2 718 68 68 GLU HB3 H 1.984 0.020 2 719 68 68 GLU HG2 H 2.174 0.020 2 720 68 68 GLU HG3 H 2.295 0.020 2 721 68 68 GLU CA C 60.501 0.400 1 722 68 68 GLU CB C 29.734 0.400 1 723 68 68 GLU CG C 36.549 0.400 1 724 68 68 GLU N N 122.929 0.400 1 725 69 69 GLU H H 8.552 0.020 1 726 69 69 GLU HA H 3.920 0.020 1 727 69 69 GLU HB2 H 2.011 0.020 2 728 69 69 GLU HB3 H 1.811 0.020 2 729 69 69 GLU HG2 H 2.282 0.020 2 730 69 69 GLU HG3 H 2.164 0.020 2 731 69 69 GLU CA C 59.997 0.400 1 732 69 69 GLU CB C 29.875 0.400 1 733 69 69 GLU CG C 36.600 0.400 1 734 69 69 GLU N N 117.473 0.400 1 735 70 70 ASN H H 7.684 0.020 1 736 70 70 ASN HA H 4.677 0.020 1 737 70 70 ASN HB2 H 2.841 0.020 2 738 70 70 ASN HB3 H 2.175 0.020 2 739 70 70 ASN HD21 H 10.058 0.020 2 740 70 70 ASN HD22 H 7.531 0.020 2 741 70 70 ASN CA C 55.690 0.400 1 742 70 70 ASN CB C 37.788 0.400 1 743 70 70 ASN N N 116.860 0.400 1 744 70 70 ASN ND2 N 118.137 0.400 1 745 71 71 TYR H H 9.219 0.020 1 746 71 71 TYR HA H 3.631 0.020 1 747 71 71 TYR HB2 H 2.866 0.020 2 748 71 71 TYR HB3 H 3.101 0.020 2 749 71 71 TYR HD1 H 6.715 0.020 1 750 71 71 TYR HD2 H 6.715 0.020 1 751 71 71 TYR HE1 H 6.688 0.020 1 752 71 71 TYR HE2 H 6.688 0.020 1 753 71 71 TYR CA C 63.266 0.400 1 754 71 71 TYR CB C 38.882 0.400 1 755 71 71 TYR CD1 C 132.500 0.400 1 756 71 71 TYR CE1 C 118.853 0.400 1 757 71 71 TYR N N 123.698 0.400 1 758 72 72 LYS H H 8.497 0.020 1 759 72 72 LYS HA H 3.745 0.020 1 760 72 72 LYS HB2 H 1.797 0.020 2 761 72 72 LYS HB3 H 1.867 0.020 2 762 72 72 LYS HD2 H 1.653 0.020 1 763 72 72 LYS HD3 H 1.653 0.020 1 764 72 72 LYS HE2 H 2.923 0.020 1 765 72 72 LYS HE3 H 2.923 0.020 1 766 72 72 LYS HG2 H 1.709 0.020 2 767 72 72 LYS HG3 H 1.473 0.020 2 768 72 72 LYS CA C 59.840 0.400 1 769 72 72 LYS CB C 32.760 0.400 1 770 72 72 LYS CD C 29.448 0.400 1 771 72 72 LYS CE C 42.457 0.400 1 772 72 72 LYS CG C 26.288 0.400 1 773 72 72 LYS N N 119.540 0.400 1 774 73 73 LYS H H 7.268 0.020 1 775 73 73 LYS HA H 3.878 0.020 1 776 73 73 LYS HB2 H 1.613 0.020 2 777 73 73 LYS HB3 H 1.412 0.020 2 778 73 73 LYS HD2 H 1.533 0.020 2 779 73 73 LYS HD3 H 1.408 0.020 2 780 73 73 LYS HE2 H 2.759 0.020 2 781 73 73 LYS HE3 H 2.914 0.020 2 782 73 73 LYS HG2 H 1.178 0.020 2 783 73 73 LYS HG3 H 0.757 0.020 2 784 73 73 LYS CA C 59.000 0.400 1 785 73 73 LYS CB C 33.460 0.400 1 786 73 73 LYS CD C 29.842 0.400 1 787 73 73 LYS CE C 42.121 0.400 1 788 73 73 LYS CG C 24.880 0.400 1 789 73 73 LYS N N 117.250 0.400 1 790 74 74 PHE H H 7.855 0.020 1 791 74 74 PHE HA H 4.345 0.020 1 792 74 74 PHE HB2 H 2.784 0.020 2 793 74 74 PHE HB3 H 2.443 0.020 2 794 74 74 PHE HD1 H 7.026 0.020 1 795 74 74 PHE HD2 H 7.026 0.020 1 796 74 74 PHE HE1 H 7.050 0.020 1 797 74 74 PHE HE2 H 7.050 0.020 1 798 74 74 PHE HZ H 7.099 0.020 1 799 74 74 PHE CA C 60.326 0.400 1 800 74 74 PHE CB C 39.840 0.400 1 801 74 74 PHE CD1 C 131.109 0.400 1 802 74 74 PHE CE1 C 131.068 0.400 1 803 74 74 PHE CZ C 129.024 0.400 1 804 74 74 PHE N N 114.327 0.400 1 805 75 75 SER H H 8.009 0.020 1 806 75 75 SER HA H 4.470 0.020 1 807 75 75 SER HB2 H 3.608 0.020 2 808 75 75 SER HB3 H 3.003 0.020 2 809 75 75 SER CA C 61.010 0.400 1 810 75 75 SER CB C 63.280 0.400 1 811 75 75 SER N N 113.220 0.400 1 812 76 76 LYS H H 7.313 0.020 1 813 76 76 LYS HA H 4.060 0.020 1 814 76 76 LYS HB2 H 1.797 0.020 1 815 76 76 LYS HB3 H 1.797 0.020 1 816 76 76 LYS HD2 H 1.644 0.020 1 817 76 76 LYS HD3 H 1.644 0.020 1 818 76 76 LYS HE2 H 2.970 0.020 1 819 76 76 LYS HE3 H 2.970 0.020 1 820 76 76 LYS HG2 H 1.478 0.020 2 821 76 76 LYS HG3 H 1.388 0.020 2 822 76 76 LYS CA C 58.580 0.400 1 823 76 76 LYS CB C 32.200 0.400 1 824 76 76 LYS CD C 29.448 0.400 1 825 76 76 LYS CE C 42.418 0.400 1 826 76 76 LYS CG C 25.218 0.400 1 827 76 76 LYS N N 119.730 0.400 1 828 77 77 LYS H H 7.630 0.020 1 829 77 77 LYS HA H 4.493 0.020 1 830 77 77 LYS HB2 H 1.706 0.020 2 831 77 77 LYS HB3 H 1.944 0.020 2 832 77 77 LYS HD2 H 1.665 0.020 1 833 77 77 LYS HD3 H 1.665 0.020 1 834 77 77 LYS HE2 H 2.957 0.020 1 835 77 77 LYS HE3 H 2.957 0.020 1 836 77 77 LYS HG2 H 1.392 0.020 2 837 77 77 LYS HG3 H 1.350 0.020 2 838 77 77 LYS CA C 56.432 0.400 1 839 77 77 LYS CB C 35.570 0.400 1 840 77 77 LYS CD C 29.120 0.400 1 841 77 77 LYS CE C 42.418 0.400 1 842 77 77 LYS CG C 25.217 0.400 1 843 77 77 LYS N N 114.926 0.400 1 844 78 78 ILE H H 7.840 0.020 1 845 78 78 ILE HA H 4.050 0.020 1 846 78 78 ILE HB H 1.534 0.020 1 847 78 78 ILE HD1 H 0.603 0.020 1 848 78 78 ILE HG12 H 1.397 0.020 2 849 78 78 ILE HG13 H 0.997 0.020 2 850 78 78 ILE HG2 H 0.496 0.020 1 851 78 78 ILE CA C 61.124 0.400 1 852 78 78 ILE CB C 41.460 0.400 1 853 78 78 ILE CD1 C 14.605 0.400 1 854 78 78 ILE CG1 C 27.477 0.400 1 855 78 78 ILE CG2 C 17.935 0.400 1 856 78 78 ILE N N 120.922 0.400 1 857 79 79 GLU H H 7.399 0.020 1 858 79 79 GLU HA H 4.283 0.020 1 859 79 79 GLU HB2 H 1.802 0.020 2 860 79 79 GLU HB3 H 2.168 0.020 2 861 79 79 GLU HG2 H 2.208 0.020 2 862 79 79 GLU HG3 H 2.475 0.020 2 863 79 79 GLU CA C 56.446 0.400 1 864 79 79 GLU CB C 32.987 0.400 1 865 79 79 GLU CG C 37.106 0.400 1 866 79 79 GLU N N 123.733 0.400 1 867 80 80 ILE H H 8.476 0.020 1 868 80 80 ILE HA H 4.609 0.020 1 869 80 80 ILE HB H 1.733 0.020 1 870 80 80 ILE HD1 H 0.419 0.020 1 871 80 80 ILE HG12 H 1.399 0.020 2 872 80 80 ILE HG13 H 0.676 0.020 2 873 80 80 ILE HG2 H 0.669 0.020 1 874 80 80 ILE CA C 60.890 0.400 1 875 80 80 ILE CB C 38.492 0.400 1 876 80 80 ILE CD1 C 13.867 0.400 1 877 80 80 ILE CG1 C 27.694 0.400 1 878 80 80 ILE CG2 C 19.333 0.400 1 879 80 80 ILE N N 123.480 0.400 1 880 81 81 TYR H H 9.545 0.020 1 881 81 81 TYR HA H 4.825 0.020 1 882 81 81 TYR HB2 H 2.808 0.020 2 883 81 81 TYR HB3 H 2.745 0.020 2 884 81 81 TYR HD1 H 6.858 0.020 1 885 81 81 TYR HD2 H 6.858 0.020 1 886 81 81 TYR HE1 H 6.796 0.020 1 887 81 81 TYR HE2 H 6.796 0.020 1 888 81 81 TYR CA C 58.140 0.400 1 889 81 81 TYR CB C 42.180 0.400 1 890 81 81 TYR CD1 C 133.125 0.400 1 891 81 81 TYR CE1 C 118.729 0.400 1 892 81 81 TYR N N 126.332 0.400 1 893 82 82 HIS H H 8.925 0.020 1 894 82 82 HIS HA H 5.172 0.020 1 895 82 82 HIS HB2 H 2.836 0.020 2 896 82 82 HIS HB3 H 3.287 0.020 2 897 82 82 HIS HD2 H 7.360 0.020 1 898 82 82 HIS HE1 H 8.537 0.020 1 899 82 82 HIS CA C 54.575 0.400 1 900 82 82 HIS CB C 30.002 0.400 1 901 82 82 HIS CD2 C 120.766 0.400 1 902 82 82 HIS CE1 C 136.746 0.400 1 903 82 82 HIS N N 119.500 0.400 1 904 83 83 ALA H H 7.826 0.020 1 905 83 83 ALA HA H 4.103 0.020 1 906 83 83 ALA HB H 0.916 0.020 1 907 83 83 ALA CA C 52.204 0.400 1 908 83 83 ALA CB C 20.045 0.400 1 909 83 83 ALA N N 129.263 0.400 1 910 84 84 GLU H H 9.505 0.020 1 911 84 84 GLU HA H 4.436 0.020 1 912 84 84 GLU HB2 H 1.811 0.020 2 913 84 84 GLU HB3 H 1.619 0.020 2 914 84 84 GLU HG2 H 2.142 0.020 2 915 84 84 GLU HG3 H 2.191 0.020 2 916 84 84 GLU CA C 54.453 0.400 1 917 84 84 GLU CB C 30.069 0.400 1 918 84 84 GLU CG C 35.573 0.400 1 919 84 84 GLU N N 123.774 0.400 1 920 85 85 GLY H H 8.259 0.020 1 921 85 85 GLY HA2 H 4.041 0.020 2 922 85 85 GLY HA3 H 3.620 0.020 2 923 85 85 GLY CA C 45.638 0.400 1 924 85 85 GLY N N 114.727 0.400 1 925 86 86 ASP H H 7.771 0.020 1 926 86 86 ASP HA H 4.562 0.020 1 927 86 86 ASP HB2 H 2.771 0.020 2 928 86 86 ASP HB3 H 2.514 0.020 2 929 86 86 ASP CA C 54.090 0.400 1 930 86 86 ASP CB C 42.920 0.400 1 931 86 86 ASP N N 115.615 0.400 1 932 87 87 ASP H H 8.030 0.020 1 933 87 87 ASP HA H 4.838 0.020 1 934 87 87 ASP HB2 H 2.976 0.020 2 935 87 87 ASP HB3 H 2.563 0.020 2 936 87 87 ASP CA C 54.369 0.400 1 937 87 87 ASP CB C 43.210 0.400 1 938 87 87 ASP N N 119.330 0.400 1 939 88 88 VAL H H 9.182 0.020 1 940 88 88 VAL HA H 3.555 0.020 1 941 88 88 VAL HB H 1.927 0.020 1 942 88 88 VAL HG1 H 0.869 0.020 2 943 88 88 VAL HG2 H 0.972 0.020 2 944 88 88 VAL CA C 67.541 0.400 1 945 88 88 VAL CB C 32.357 0.400 1 946 88 88 VAL CG1 C 20.238 0.400 1 947 88 88 VAL CG2 C 24.586 0.400 1 948 88 88 VAL N N 131.010 0.400 1 949 89 89 ASP H H 7.896 0.020 1 950 89 89 ASP HA H 4.256 0.020 1 951 89 89 ASP HB2 H 2.601 0.020 2 952 89 89 ASP HB3 H 2.703 0.020 2 953 89 89 ASP CA C 58.417 0.400 1 954 89 89 ASP CB C 40.511 0.400 1 955 89 89 ASP N N 121.837 0.400 1 956 90 90 LYS H H 8.435 0.020 1 957 90 90 LYS HA H 4.038 0.020 1 958 90 90 LYS HB2 H 1.864 0.020 1 959 90 90 LYS HB3 H 1.864 0.020 1 960 90 90 LYS HD2 H 1.688 0.020 1 961 90 90 LYS HD3 H 1.688 0.020 1 962 90 90 LYS HE2 H 2.919 0.020 1 963 90 90 LYS HE3 H 2.919 0.020 1 964 90 90 LYS HG2 H 1.395 0.020 1 965 90 90 LYS HG3 H 1.395 0.020 1 966 90 90 LYS CA C 58.806 0.400 1 967 90 90 LYS CB C 32.456 0.400 1 968 90 90 LYS CD C 29.004 0.400 1 969 90 90 LYS CE C 42.464 0.400 1 970 90 90 LYS CG C 25.009 0.400 1 971 90 90 LYS N N 121.099 0.400 1 972 91 91 ASN H H 7.758 0.020 1 973 91 91 ASN HA H 4.285 0.020 1 974 91 91 ASN HB2 H 2.109 0.020 2 975 91 91 ASN HB3 H 2.706 0.020 2 976 91 91 ASN HD21 H 7.403 0.020 2 977 91 91 ASN HD22 H 6.586 0.020 2 978 91 91 ASN CA C 59.160 0.400 1 979 91 91 ASN CB C 40.523 0.400 1 980 91 91 ASN N N 117.112 0.400 1 981 91 91 ASN ND2 N 110.428 0.400 1 982 92 92 ILE H H 8.490 0.020 1 983 92 92 ILE HA H 3.460 0.020 1 984 92 92 ILE HB H 1.924 0.020 1 985 92 92 ILE HD1 H 0.683 0.020 1 986 92 92 ILE HG12 H 1.693 0.020 2 987 92 92 ILE HG13 H 0.650 0.020 2 988 92 92 ILE HG2 H 0.773 0.020 1 989 92 92 ILE CA C 66.230 0.400 1 990 92 92 ILE CB C 37.514 0.400 1 991 92 92 ILE CD1 C 13.740 0.400 1 992 92 92 ILE CG1 C 30.124 0.400 1 993 92 92 ILE CG2 C 17.773 0.400 1 994 92 92 ILE N N 120.534 0.400 1 995 93 93 SER H H 7.713 0.020 1 996 93 93 SER HA H 3.952 0.020 1 997 93 93 SER HB2 H 4.112 0.020 1 998 93 93 SER HB3 H 4.112 0.020 1 999 93 93 SER CA C 62.969 0.400 1 1000 93 93 SER CB C 62.864 0.400 1 1001 93 93 SER N N 114.902 0.400 1 1002 94 94 LEU H H 8.383 0.020 1 1003 94 94 LEU HA H 3.924 0.020 1 1004 94 94 LEU HB2 H 1.081 0.020 2 1005 94 94 LEU HB3 H 1.881 0.020 2 1006 94 94 LEU HD1 H 0.775 0.020 1 1007 94 94 LEU HD2 H 0.775 0.020 1 1008 94 94 LEU HG H 1.821 0.020 1 1009 94 94 LEU CA C 58.203 0.400 1 1010 94 94 LEU CB C 43.015 0.400 1 1011 94 94 LEU CD1 C 22.896 0.400 1 1012 94 94 LEU CG C 27.096 0.400 1 1013 94 94 LEU N N 120.736 0.400 1 1014 95 95 PHE H H 8.438 0.020 1 1015 95 95 PHE HA H 3.883 0.020 1 1016 95 95 PHE HB2 H 3.214 0.020 2 1017 95 95 PHE HB3 H 3.018 0.020 2 1018 95 95 PHE HD1 H 6.473 0.020 1 1019 95 95 PHE HD2 H 6.473 0.020 1 1020 95 95 PHE HE1 H 6.572 0.020 1 1021 95 95 PHE HE2 H 6.572 0.020 1 1022 95 95 PHE HZ H 6.880 0.020 1 1023 95 95 PHE CA C 61.490 0.400 1 1024 95 95 PHE CB C 39.210 0.400 1 1025 95 95 PHE CD1 C 130.752 0.400 1 1026 95 95 PHE CE1 C 131.355 0.400 1 1027 95 95 PHE CZ C 129.407 0.400 1 1028 95 95 PHE N N 121.040 0.400 1 1029 96 96 ILE H H 8.371 0.020 1 1030 96 96 ILE HA H 3.343 0.020 1 1031 96 96 ILE HB H 1.921 0.020 1 1032 96 96 ILE HD1 H 0.704 0.020 1 1033 96 96 ILE HG12 H 1.970 0.020 2 1034 96 96 ILE HG13 H 0.893 0.020 2 1035 96 96 ILE HG2 H 0.774 0.020 1 1036 96 96 ILE CA C 65.680 0.400 1 1037 96 96 ILE CB C 38.550 0.400 1 1038 96 96 ILE CD1 C 14.056 0.400 1 1039 96 96 ILE CG1 C 31.031 0.400 1 1040 96 96 ILE CG2 C 17.360 0.400 1 1041 96 96 ILE N N 122.360 0.400 1 1042 97 97 GLU H H 7.601 0.020 1 1043 97 97 GLU HA H 4.099 0.020 1 1044 97 97 GLU HB2 H 2.189 0.020 2 1045 97 97 GLU HB3 H 1.848 0.020 2 1046 97 97 GLU HG2 H 2.307 0.020 2 1047 97 97 GLU HG3 H 2.348 0.020 2 1048 97 97 GLU CA C 56.628 0.400 1 1049 97 97 GLU CB C 30.361 0.400 1 1050 97 97 GLU CG C 36.221 0.400 1 1051 97 97 GLU N N 116.173 0.400 1 1052 98 98 GLY H H 7.664 0.020 1 1053 98 98 GLY HA2 H 3.743 0.020 2 1054 98 98 GLY HA3 H 3.887 0.020 2 1055 98 98 GLY CA C 46.624 0.400 1 1056 98 98 GLY N N 108.883 0.400 1 1057 99 99 GLU H H 8.144 0.020 1 1058 99 99 GLU HA H 4.303 0.020 1 1059 99 99 GLU HB2 H 2.311 0.020 2 1060 99 99 GLU HB3 H 1.602 0.020 2 1061 99 99 GLU HG2 H 2.184 0.020 2 1062 99 99 GLU HG3 H 1.976 0.020 2 1063 99 99 GLU CA C 56.386 0.400 1 1064 99 99 GLU CB C 31.922 0.400 1 1065 99 99 GLU CG C 36.107 0.400 1 1066 99 99 GLU N N 116.831 0.400 1 1067 100 100 LEU H H 7.521 0.020 1 1068 100 100 LEU HA H 4.782 0.020 1 1069 100 100 LEU HB2 H 1.722 0.020 2 1070 100 100 LEU HB3 H 1.792 0.020 2 1071 100 100 LEU HD1 H 0.965 0.020 2 1072 100 100 LEU HD2 H 1.085 0.020 2 1073 100 100 LEU HG H 1.403 0.020 1 1074 100 100 LEU CA C 54.533 0.400 1 1075 100 100 LEU CB C 43.223 0.400 1 1076 100 100 LEU CD1 C 27.085 0.400 1 1077 100 100 LEU CD2 C 23.509 0.400 1 1078 100 100 LEU CG C 27.243 0.400 1 1079 100 100 LEU N N 117.977 0.400 1 1080 101 101 SER H H 9.667 0.020 1 1081 101 101 SER HA H 4.625 0.020 1 1082 101 101 SER HB2 H 3.944 0.020 1 1083 101 101 SER HB3 H 3.944 0.020 1 1084 101 101 SER CA C 58.390 0.400 1 1085 101 101 SER CB C 65.036 0.400 1 1086 101 101 SER N N 120.072 0.400 1 1087 102 102 LYS H H 8.563 0.020 1 1088 102 102 LYS HA H 4.246 0.020 1 1089 102 102 LYS HB2 H 1.462 0.020 2 1090 102 102 LYS HB3 H 1.598 0.020 2 1091 102 102 LYS HD2 H 1.452 0.020 1 1092 102 102 LYS HD3 H 1.452 0.020 1 1093 102 102 LYS HE2 H 2.809 0.020 1 1094 102 102 LYS HE3 H 2.809 0.020 1 1095 102 102 LYS HG2 H 1.180 0.020 2 1096 102 102 LYS HG3 H 0.704 0.020 2 1097 102 102 LYS CA C 56.840 0.400 1 1098 102 102 LYS CB C 33.480 0.400 1 1099 102 102 LYS CD C 29.423 0.400 1 1100 102 102 LYS CE C 42.402 0.400 1 1101 102 102 LYS CG C 26.166 0.400 1 1102 102 102 LYS N N 123.530 0.400 1 1103 103 103 ILE H H 8.518 0.020 1 1104 103 103 ILE HA H 3.907 0.020 1 1105 103 103 ILE HB H 1.444 0.020 1 1106 103 103 ILE HD1 H 0.626 0.020 1 1107 103 103 ILE HG12 H 1.387 0.020 2 1108 103 103 ILE HG13 H 0.872 0.020 2 1109 103 103 ILE HG2 H 0.629 0.020 1 1110 103 103 ILE CA C 62.587 0.400 1 1111 103 103 ILE CB C 38.516 0.400 1 1112 103 103 ILE CD1 C 13.713 0.400 1 1113 103 103 ILE CG1 C 28.891 0.400 1 1114 103 103 ILE CG2 C 17.276 0.400 1 1115 103 103 ILE N N 124.328 0.400 1 1116 104 104 SER H H 8.308 0.020 1 1117 104 104 SER HA H 4.458 0.020 1 1118 104 104 SER HB2 H 3.672 0.020 1 1119 104 104 SER HB3 H 3.672 0.020 1 1120 104 104 SER CA C 58.031 0.400 1 1121 104 104 SER CB C 64.619 0.400 1 1122 104 104 SER N N 122.218 0.400 1 1123 105 105 ASN H H 7.771 0.020 1 1124 105 105 ASN HA H 4.520 0.020 1 1125 105 105 ASN HB2 H 2.304 0.020 2 1126 105 105 ASN HB3 H 2.588 0.020 2 1127 105 105 ASN HD21 H 6.667 0.020 2 1128 105 105 ASN HD22 H 7.213 0.020 2 1129 105 105 ASN CA C 51.795 0.400 1 1130 105 105 ASN CB C 39.628 0.400 1 1131 105 105 ASN N N 120.750 0.400 1 1132 105 105 ASN ND2 N 112.749 0.400 1 1133 106 106 PRO HA H 4.059 0.020 1 1134 106 106 PRO HB2 H 1.796 0.020 2 1135 106 106 PRO HB3 H 1.992 0.020 2 1136 106 106 PRO HD2 H 3.064 0.020 2 1137 106 106 PRO HD3 H 3.328 0.020 2 1138 106 106 PRO HG2 H 1.638 0.020 2 1139 106 106 PRO HG3 H 1.777 0.020 2 1140 106 106 PRO CA C 65.034 0.400 1 1141 106 106 PRO CB C 32.312 0.400 1 1142 106 106 PRO CD C 50.344 0.400 1 1143 106 106 PRO CG C 27.453 0.400 1 stop_ save_