data_15092 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N chemical shift assignments for the human E2 ubiquitin conjugating enzyme Ubc13 ; _BMRB_accession_number 15092 _BMRB_flat_file_name bmr15092.str _Entry_type original _Submission_date 2007-01-03 _Accession_date 2007-01-03 _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 Mercier Pascal . . 2 Lewis Michael J. . 3 Hau D. Duong . 4 Saltibus Linda F. . 5 Xiao Wei . . 6 Spyracopoulos Leo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 557 "13C chemical shifts" 423 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-04-24 original author . stop_ _Original_release_date 2007-04-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure, Interactions, and Dynamics of the RING Domain from Human TRAF6' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17327397 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mercier Pascal . . 2 Lewis Michael J. . 3 Hau D. Duong . 4 Saltibus Linda F. . 5 Xiao Wei . . 6 Spyracopoulos Leo . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 16 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 602 _Page_last 614 _Year 2007 _Details . loop_ _Keyword E2 polyubiquitination Ubc13 ubiquitin 'ubiquitin conjugating enzyme' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'single polypeptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Ubc13 $Ubc13 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Ubc13 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ubc13 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 157 _Mol_residue_sequence ; GPLGSMAGLPRRIIKETQRL LAEPVPGIKAEPDESNARYF HVVIAGPQDSPFEGGTFKLE LFLPEEYPMAAPKVRFMTKI YHPNVDKLGRICLDILKDKW SPALQIRTVLLSIQALLSAP NPDDPLANDVAEQWKTNEAQ AIETARAWTRLYAMNNI ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 MET 7 ALA 8 GLY 9 LEU 10 PRO 11 ARG 12 ARG 13 ILE 14 ILE 15 LYS 16 GLU 17 THR 18 GLN 19 ARG 20 LEU 21 LEU 22 ALA 23 GLU 24 PRO 25 VAL 26 PRO 27 GLY 28 ILE 29 LYS 30 ALA 31 GLU 32 PRO 33 ASP 34 GLU 35 SER 36 ASN 37 ALA 38 ARG 39 TYR 40 PHE 41 HIS 42 VAL 43 VAL 44 ILE 45 ALA 46 GLY 47 PRO 48 GLN 49 ASP 50 SER 51 PRO 52 PHE 53 GLU 54 GLY 55 GLY 56 THR 57 PHE 58 LYS 59 LEU 60 GLU 61 LEU 62 PHE 63 LEU 64 PRO 65 GLU 66 GLU 67 TYR 68 PRO 69 MET 70 ALA 71 ALA 72 PRO 73 LYS 74 VAL 75 ARG 76 PHE 77 MET 78 THR 79 LYS 80 ILE 81 TYR 82 HIS 83 PRO 84 ASN 85 VAL 86 ASP 87 LYS 88 LEU 89 GLY 90 ARG 91 ILE 92 CYS 93 LEU 94 ASP 95 ILE 96 LEU 97 LYS 98 ASP 99 LYS 100 TRP 101 SER 102 PRO 103 ALA 104 LEU 105 GLN 106 ILE 107 ARG 108 THR 109 VAL 110 LEU 111 LEU 112 SER 113 ILE 114 GLN 115 ALA 116 LEU 117 LEU 118 SER 119 ALA 120 PRO 121 ASN 122 PRO 123 ASP 124 ASP 125 PRO 126 LEU 127 ALA 128 ASN 129 ASP 130 VAL 131 ALA 132 GLU 133 GLN 134 TRP 135 LYS 136 THR 137 ASN 138 GLU 139 ALA 140 GLN 141 ALA 142 ILE 143 GLU 144 THR 145 ALA 146 ARG 147 ALA 148 TRP 149 THR 150 ARG 151 LEU 152 TYR 153 ALA 154 MET 155 ASN 156 ASN 157 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-28 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 1J7D "Crystal Structure Of Hmms2-Hubc13" 96.82 152 100.00 100.00 2.63e-106 PDB 2C2V "Crystal Structure Of The Chip-Ubc13-Uev1a Complex" 96.18 154 100.00 100.00 1.86e-105 PDB 3HCT "Crystal Structure Of Traf6 In Complex With Ubc13 In The P1 Space Group" 96.82 155 100.00 100.00 2.61e-106 PDB 3HCU "Crystal Structure Of Traf6 In Complex With Ubc13 In The C2 Space Group" 96.82 155 100.00 100.00 2.61e-106 PDB 3VON "Crystalstructure Of The Ubiquitin Protease" 94.27 148 100.00 100.00 2.58e-103 PDB 3W31 "Structual Basis For The Recognition Of Ubc13 By The Shigella Flexneri Effector Ospi" 96.82 155 100.00 100.00 2.61e-106 PDB 4DHI "Structure Of C. Elegans Otub1 Bound To Human Ubc13" 96.82 152 100.00 100.00 2.63e-106 PDB 4DHJ "The Structure Of A Ceotub1 Ubiquitin Aldehyde Ubc13~ub Complex" 96.82 152 100.00 100.00 2.63e-106 PDB 4DHZ "The Structure Of HCEOTUB1-Ubiquitin Aldehyde-Ubc13~ub" 96.82 152 100.00 100.00 2.63e-106 PDB 4IP3 "Complex Structure Of Ospi And Ubc13" 100.00 172 98.73 98.73 4.06e-107 PDB 4NR3 "Crystal Structure Of A Human Mms2/ubc13 L121g Mutant" 100.00 157 97.45 97.45 1.70e-104 PDB 4NRG "Crystal Structure Of A Human Mms2/ubc13 D118g Mutant" 101.91 160 97.50 97.50 6.06e-107 PDB 4NRI "Crystal Structure Of A Human Mms2/ubc13 A122g Mutant" 99.36 156 97.44 97.44 6.94e-104 PDB 4ONM "Crystal Structure Of Human Mms2/ubc13 - Nsc697923" 101.91 160 98.13 98.13 5.72e-108 PDB 4ONN "Crystal Structure Of Human Mms2/ubc13 - Bay 11-7082" 101.91 160 98.13 98.13 5.72e-108 PDB 4ORH "Crystal Structure Of Rnf8 Bound To The Ubc13/mms2 Heterodimer" 101.91 160 98.13 98.13 5.72e-108 PDB 4TKP "Complex Of Ubc13 With The Ring Domain Of The Trim5alpha Retroviral Restriction Factor" 96.18 153 100.00 100.00 2.21e-105 PDB 4WHV Rnf8/ubc13c87k~ub 101.91 160 97.50 97.50 3.44e-106 PDB 5AIT "A Complex Of Of Rnf4-ring Domain, Ubev2, Ubc13-ub (isopeptide Crosslink)" 98.09 154 98.05 98.70 6.06e-105 PDB 5AIU "A Complex Of Rnf4-ring Domain, Ubc13-ub (isopeptide Crosslink)" 98.09 154 98.05 98.70 6.06e-105 DBJ BAA11675 "ubiquitin-conjugating enzyme E2 UbcH-ben [Homo sapiens]" 96.82 152 100.00 100.00 2.63e-106 DBJ BAB20414 "bendless protein [Rattus norvegicus]" 96.82 152 99.34 100.00 7.50e-106 DBJ BAB23941 "unnamed protein product [Mus musculus]" 96.82 152 100.00 100.00 2.63e-106 DBJ BAB24239 "unnamed protein product [Mus musculus]" 96.82 152 99.34 99.34 2.49e-105 DBJ BAE01994 "unnamed protein product [Macaca fascicularis]" 96.82 152 99.34 99.34 1.84e-105 EMBL CAA71001 "bendless-like ubiquitin conjugating enzyme [Mus musculus]" 96.82 152 100.00 100.00 2.63e-106 EMBL CAH65129 "hypothetical protein RCJMB04_3o20 [Gallus gallus]" 96.82 152 99.34 99.34 3.07e-105 EMBL CAH92264 "hypothetical protein [Pongo abelii]" 96.82 152 100.00 100.00 2.63e-106 EMBL CAJ82488 "ubiquitin-conjugating enzyme E2N (UBC13 homolog, yeast) [Xenopus (Silurana) tropicalis]" 96.82 152 98.03 100.00 1.62e-104 EMBL CAK04885 "ubiquitin-conjugating enzyme E2N [Danio rerio]" 96.82 154 98.03 98.03 1.07e-103 GB AAH00396 "Ubiquitin-conjugating enzyme E2N (UBC13 homolog, yeast) [Homo sapiens]" 96.82 152 100.00 100.00 2.63e-106 GB AAH03365 "Ubiquitin-conjugating enzyme E2N (UBC13 homolog, yeast) [Homo sapiens]" 96.82 152 100.00 100.00 2.63e-106 GB AAH34898 "Ubiquitin-conjugating enzyme E2N [Mus musculus]" 96.82 152 100.00 100.00 2.63e-106 GB AAH44461 "Ubiquitin-conjugating enzyme E2N [Danio rerio]" 96.82 154 98.03 98.03 1.07e-103 GB AAH53141 "Ubiquitin-conjugating enzyme E2N-like [Danio rerio]" 96.82 154 97.37 98.03 3.41e-103 REF NP_001012828 "ubiquitin-conjugating enzyme E2 N [Gallus gallus]" 96.82 152 99.34 99.34 3.07e-105 REF NP_001069726 "ubiquitin-conjugating enzyme E2 N [Bos taurus]" 96.82 152 100.00 100.00 2.63e-106 REF NP_001127530 "ubiquitin-conjugating enzyme E2 N [Pongo abelii]" 96.82 152 100.00 100.00 2.63e-106 REF NP_001156530 "ubiquitin-conjugating enzyme E2 N [Ovis aries]" 96.82 152 100.00 100.00 2.63e-106 REF NP_001180523 "ubiquitin-conjugating enzyme E2 N [Macaca mulatta]" 96.82 152 100.00 100.00 2.63e-106 SP P61088 "RecName: Full=Ubiquitin-conjugating enzyme E2 N; AltName: Full=Bendless-like ubiquitin-conjugating enzyme; AltName: Full=E2 ubi" 96.82 152 100.00 100.00 2.63e-106 SP P61089 "RecName: Full=Ubiquitin-conjugating enzyme E2 N; AltName: Full=Bendless-like ubiquitin-conjugating enzyme; AltName: Full=E2 ubi" 96.82 152 100.00 100.00 2.63e-106 SP Q0P5K3 "RecName: Full=Ubiquitin-conjugating enzyme E2 N; AltName: Full=E2 ubiquitin-conjugating enzyme N; AltName: Full=Ubiquitin carri" 96.82 152 100.00 100.00 2.63e-106 SP Q4R4I1 "RecName: Full=Ubiquitin-conjugating enzyme E2 N; AltName: Full=E2 ubiquitin-conjugating enzyme N; AltName: Full=Ubiquitin carri" 96.82 152 99.34 99.34 1.84e-105 SP Q5R7J6 "RecName: Full=Ubiquitin-conjugating enzyme E2 N; AltName: Full=E2 ubiquitin-conjugating enzyme N; AltName: Full=Ubiquitin carri" 96.82 152 100.00 100.00 2.63e-106 TPG DAA30062 "TPA: ubiquitin-conjugating enzyme E2 N [Bos taurus]" 96.82 152 100.00 100.00 2.63e-106 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Ubc13 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Ubc13 'recombinant technology' . Escherichia coli BL21(DE3)RIL pGEX6P1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Additionally contained 3 uL of 100X stock protease inhibitor cocktail I (Calbiochem catalog #539131)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ubc13 0.5 mM '[U-13C; U-15N]' DSS 1 mM none DTT 1 mM none stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'F Delaglio, S Grzesiek, GW Vuister, G Zhu, J Pfeifer and A Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address 'T Goddard' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _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' 200 . mM pH 7.5 . pH pressure 1 . atm temperature 303 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 internal indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal indirect . . . 1.00 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 internal indirect . . . 0.101329118 $entry_citation $entry_citation 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 $NMRPipe $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D H(CCO)NH' '3D C(CO)NH' 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 Ubc13 _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 12 12 ARG HA H 4.231 0.005 1 2 12 12 ARG CA C 58.921 0.036 1 3 12 12 ARG CB C 30.370 0.1 1 4 12 12 ARG CD C 42.926 0.1 1 5 13 13 ILE H H 7.311 0.006 1 6 13 13 ILE HA H 3.735 0.008 1 7 13 13 ILE HB H 1.939 0.007 1 8 13 13 ILE HG13 H 1.066 0.003 1 9 13 13 ILE HG2 H 0.896 0.012 1 10 13 13 ILE HD1 H 1.006 0.010 1 11 13 13 ILE CA C 65.833 0.109 1 12 13 13 ILE CB C 38.132 0.030 1 13 13 13 ILE CG2 C 17.435 0.068 1 14 13 13 ILE CD1 C 14.036 0.067 1 15 13 13 ILE N N 115.657 0.066 1 16 14 14 ILE H H 7.674 0.004 1 17 14 14 ILE HA H 3.769 0.006 1 18 14 14 ILE HB H 2.040 0.005 1 19 14 14 ILE HG12 H 1.598 0.005 1 20 14 14 ILE HG13 H 1.217 0.003 1 21 14 14 ILE HG2 H 0.970 0.009 1 22 14 14 ILE HD1 H 0.913 0.007 1 23 14 14 ILE CA C 65.315 0.083 1 24 14 14 ILE CB C 37.958 0.082 1 25 14 14 ILE CG2 C 16.925 0.085 1 26 14 14 ILE CD1 C 12.977 0.077 1 27 14 14 ILE N N 124.247 0.083 1 28 15 15 LYS H H 8.582 0.017 1 29 15 15 LYS HA H 4.171 0.004 1 30 15 15 LYS HB2 H 1.974 0.003 2 31 15 15 LYS HB3 H 2.008 0.003 2 32 15 15 LYS HG2 H 1.529 0.008 2 33 15 15 LYS HG3 H 1.617 0.008 2 34 15 15 LYS HD2 H 1.734 0.006 2 35 15 15 LYS HE2 H 3.003 0.012 2 36 15 15 LYS CA C 59.286 0.100 1 37 15 15 LYS CB C 31.932 0.081 1 38 15 15 LYS CG C 24.856 0.1 1 39 15 15 LYS CD C 28.908 0.082 1 40 15 15 LYS CE C 41.853 0.018 1 41 15 15 LYS N N 119.218 0.056 1 42 16 16 GLU H H 8.487 0.005 1 43 16 16 GLU HA H 4.123 0.005 1 44 16 16 GLU CA C 61.389 0.071 1 45 16 16 GLU CB C 31.595 0.065 1 46 16 16 GLU CG C 38.573 0.1 1 47 16 16 GLU N N 118.129 0.068 1 48 17 17 THR H H 8.329 0.004 1 49 17 17 THR HA H 3.836 0.007 1 50 17 17 THR HB H 4.514 0.012 1 51 17 17 THR HG2 H 1.311 0.013 1 52 17 17 THR CA C 68.253 0.045 1 53 17 17 THR CB C 68.244 0.088 1 54 17 17 THR CG2 C 21.001 0.097 1 55 17 17 THR N N 115.958 0.065 1 56 18 18 GLN H H 8.430 0.012 1 57 18 18 GLN HA H 4.034 0.010 1 58 18 18 GLN HB2 H 2.314 0.004 2 59 18 18 GLN HB3 H 2.155 0.006 2 60 18 18 GLN HG2 H 2.485 0.008 2 61 18 18 GLN HG3 H 2.706 0.004 2 62 18 18 GLN CA C 59.252 0.058 1 63 18 18 GLN CB C 28.211 0.086 1 64 18 18 GLN CG C 34.069 0.065 1 65 18 18 GLN N N 119.732 0.037 1 66 19 19 ARG H H 8.013 0.010 1 67 19 19 ARG HA H 4.176 0.006 1 68 19 19 ARG HB2 H 2.013 0.002 2 69 19 19 ARG HG2 H 1.811 0.002 2 70 19 19 ARG HG3 H 1.865 0.006 2 71 19 19 ARG HD2 H 3.258 0.004 2 72 19 19 ARG CA C 58.908 0.061 1 73 19 19 ARG CB C 29.702 0.125 1 74 19 19 ARG CG C 27.451 0.088 1 75 19 19 ARG CD C 43.035 0.1 1 76 19 19 ARG N N 118.753 0.066 1 77 20 20 LEU H H 8.087 0.008 1 78 20 20 LEU HA H 4.063 0.010 1 79 20 20 LEU HB2 H 1.708 0.002 2 80 20 20 LEU HB3 H 1.926 0.008 2 81 20 20 LEU HG H 1.828 0.007 1 82 20 20 LEU HD1 H 0.713 0.009 1 83 20 20 LEU CA C 57.488 0.116 1 84 20 20 LEU CB C 42.271 0.091 1 85 20 20 LEU CG C 27.058 0.104 1 86 20 20 LEU CD1 C 24.495 0.073 1 87 20 20 LEU N N 121.432 0.049 1 88 21 21 LEU H H 7.713 0.009 1 89 21 21 LEU HA H 4.298 0.010 1 90 21 21 LEU HB2 H 1.640 0.010 2 91 21 21 LEU HB3 H 1.878 0.009 2 92 21 21 LEU HG H 1.996 0.006 1 93 21 21 LEU HD1 H 1.051 0.007 1 94 21 21 LEU HD2 H 0.977 0.008 1 95 21 21 LEU CA C 56.598 0.121 1 96 21 21 LEU CB C 41.746 0.125 1 97 21 21 LEU CG C 27.304 0.081 1 98 21 21 LEU CD1 C 23.197 0.021 1 99 21 21 LEU CD2 C 25.242 0.043 1 100 21 21 LEU N N 116.543 0.058 1 101 22 22 ALA H H 7.845 0.008 1 102 22 22 ALA HA H 4.329 0.009 1 103 22 22 ALA HB H 1.558 0.010 1 104 22 22 ALA CA C 53.840 0.110 1 105 22 22 ALA CB C 19.771 0.098 1 106 22 22 ALA N N 120.049 0.046 1 107 23 23 GLU H H 8.008 0.005 1 108 23 23 GLU CA C 53.056 0.1 1 109 23 23 GLU CB C 30.344 0.1 1 110 23 23 GLU N N 118.153 0.018 1 111 24 24 PRO HA H 4.731 0.003 1 112 24 24 PRO HB2 H 2.517 0.010 2 113 24 24 PRO HG2 H 2.006 0.007 2 114 24 24 PRO HG3 H 2.065 0.002 2 115 24 24 PRO HD2 H 3.443 0.005 2 116 24 24 PRO HD3 H 3.590 0.005 2 117 24 24 PRO CA C 63.018 0.103 1 118 24 24 PRO CB C 32.651 0.138 1 119 24 24 PRO CG C 27.275 0.080 1 120 24 24 PRO CD C 50.270 0.062 1 121 25 25 VAL H H 9.382 0.004 1 122 25 25 VAL HA H 4.256 0.007 1 123 25 25 VAL HB H 1.994 0.011 1 124 25 25 VAL HG1 H 0.998 0.004 1 125 25 25 VAL HG2 H 0.996 0.010 1 126 25 25 VAL CA C 60.130 0.043 1 127 25 25 VAL CB C 33.126 0.116 1 128 25 25 VAL CG1 C 21.843 0.009 1 129 25 25 VAL N N 125.714 0.057 1 130 26 26 PRO CA C 64.234 0.1 1 131 26 26 PRO CB C 31.555 0.019 1 132 26 26 PRO CG C 27.821 0.1 1 133 27 27 GLY H H 8.563 0.004 1 134 27 27 GLY HA2 H 3.757 0.010 2 135 27 27 GLY HA3 H 4.269 0.010 2 136 27 27 GLY CA C 45.596 0.101 1 137 27 27 GLY N N 111.961 0.044 1 138 28 28 ILE H H 8.258 0.007 1 139 28 28 ILE HA H 5.020 0.008 1 140 28 28 ILE HB H 1.864 0.005 1 141 28 28 ILE HG13 H 1.609 0.005 1 142 28 28 ILE HG2 H 0.724 0.009 1 143 28 28 ILE HD1 H 0.618 0.009 1 144 28 28 ILE CA C 57.462 8.348 1 145 28 28 ILE CB C 40.491 0.104 1 146 28 28 ILE CG1 C 26.674 0.1 1 147 28 28 ILE CG2 C 17.471 0.051 1 148 28 28 ILE CD1 C 14.849 0.093 1 149 28 28 ILE N N 120.216 0.032 1 150 29 29 LYS H H 9.033 0.006 1 151 29 29 LYS HA H 4.797 0.007 1 152 29 29 LYS HB2 H 1.776 0.005 2 153 29 29 LYS HB3 H 1.880 0.006 2 154 29 29 LYS HG2 H 1.402 0.016 2 155 29 29 LYS HG3 H 1.532 0.008 2 156 29 29 LYS HD2 H 1.703 0.006 2 157 29 29 LYS HE2 H 2.980 0.010 2 158 29 29 LYS CA C 55.112 0.035 1 159 29 29 LYS CB C 34.707 0.080 1 160 29 29 LYS CG C 24.858 0.079 1 161 29 29 LYS CD C 29.246 0.1 1 162 29 29 LYS CE C 41.824 0.1 1 163 29 29 LYS N N 129.460 0.082 1 164 30 30 ALA H H 8.375 0.005 1 165 30 30 ALA HA H 5.344 0.007 1 166 30 30 ALA HB H 1.235 0.009 1 167 30 30 ALA CA C 51.192 0.125 1 168 30 30 ALA CB C 21.522 0.116 1 169 30 30 ALA N N 127.121 0.036 1 170 31 31 GLU H H 8.483 0.008 1 171 31 31 GLU CA C 52.778 0.1 1 172 31 31 GLU CB C 32.746 0.1 1 173 31 31 GLU N N 120.623 0.036 1 174 32 32 PRO HA H 4.130 0.005 1 175 32 32 PRO CA C 61.500 0.085 1 176 32 32 PRO CB C 31.286 0.059 1 177 32 32 PRO CG C 26.834 0.1 1 178 33 33 ASP H H 8.722 0.005 1 179 33 33 ASP HA H 4.454 0.011 1 180 33 33 ASP HB2 H 2.272 0.012 2 181 33 33 ASP HB3 H 3.314 0.009 2 182 33 33 ASP CA C 54.625 0.072 1 183 33 33 ASP CB C 43.598 0.110 1 184 33 33 ASP N N 123.956 0.043 1 185 34 34 GLU H H 8.700 0.010 1 186 34 34 GLU HA H 4.011 0.004 1 187 34 34 GLU HB2 H 2.041 0.008 2 188 34 34 GLU HG2 H 2.315 0.002 2 189 34 34 GLU CA C 58.749 0.063 1 190 34 34 GLU CB C 29.951 0.141 1 191 34 34 GLU CG C 36.192 0.059 1 192 34 34 GLU N N 124.503 0.069 1 193 35 35 SER H H 8.603 0.012 1 194 35 35 SER HA H 4.595 0.002 1 195 35 35 SER HB2 H 3.888 0.005 2 196 35 35 SER CA C 59.178 0.105 1 197 35 35 SER CB C 64.167 0.083 1 198 35 35 SER N N 113.782 0.048 1 199 36 36 ASN H H 7.935 0.003 1 200 36 36 ASN HA H 4.722 0.005 1 201 36 36 ASN HB2 H 2.790 0.005 2 202 36 36 ASN HB3 H 3.068 0.003 2 203 36 36 ASN CA C 52.857 0.115 1 204 36 36 ASN CB C 38.733 0.074 1 205 36 36 ASN N N 119.808 0.039 1 206 37 37 ALA H H 8.475 0.013 1 207 37 37 ALA HA H 4.171 0.003 1 208 37 37 ALA HB H 1.431 0.009 1 209 37 37 ALA CA C 53.801 0.113 1 210 37 37 ALA CB C 19.105 0.086 1 211 37 37 ALA N N 126.129 0.044 1 212 38 38 ARG H H 7.659 0.008 1 213 38 38 ARG CA C 57.237 0.070 1 214 38 38 ARG CB C 30.149 0.085 1 215 38 38 ARG CD C 42.354 0.1 1 216 38 38 ARG N N 111.202 0.055 1 217 39 39 TYR H H 8.061 0.005 1 218 39 39 TYR HA H 5.239 0.005 1 219 39 39 TYR HB2 H 2.894 0.004 2 220 39 39 TYR HB3 H 2.894 0.004 2 221 39 39 TYR CA C 56.630 0.107 1 222 39 39 TYR CB C 40.657 0.116 1 223 39 39 TYR N N 119.002 0.036 1 224 40 40 PHE H H 9.548 0.008 1 225 40 40 PHE HA H 4.834 0.005 1 226 40 40 PHE HB2 H 2.268 0.009 2 227 40 40 PHE HB3 H 2.899 0.005 2 228 40 40 PHE CA C 55.984 0.074 1 229 40 40 PHE CB C 41.934 0.084 1 230 40 40 PHE N N 120.698 0.030 1 231 41 41 HIS H H 8.785 0.005 1 232 41 41 HIS HA H 4.930 0.003 1 233 41 41 HIS HB2 H 3.137 0.005 2 234 41 41 HIS HB3 H 3.190 0.005 2 235 41 41 HIS CA C 55.529 0.090 1 236 41 41 HIS CB C 31.054 0.176 1 237 41 41 HIS N N 122.140 0.171 1 238 42 42 VAL H H 8.403 0.008 1 239 42 42 VAL HA H 5.316 0.010 1 240 42 42 VAL HB H 1.903 0.007 1 241 42 42 VAL HG1 H 0.752 0.007 1 242 42 42 VAL HG2 H 0.812 0.009 1 243 42 42 VAL CA C 60.092 0.139 1 244 42 42 VAL CB C 34.319 0.098 1 245 42 42 VAL CG1 C 21.131 0.035 1 246 42 42 VAL CG2 C 22.136 0.054 1 247 42 42 VAL N N 126.452 0.052 1 248 43 43 VAL H H 9.291 0.005 1 249 43 43 VAL HA H 5.048 0.009 1 250 43 43 VAL HB H 1.955 0.004 1 251 43 43 VAL HG1 H 0.964 0.009 1 252 43 43 VAL HG2 H 0.859 0.009 1 253 43 43 VAL CA C 61.202 0.134 1 254 43 43 VAL CB C 34.771 0.088 1 255 43 43 VAL CG1 C 21.236 0.035 1 256 43 43 VAL CG2 C 22.289 0.019 1 257 43 43 VAL N N 127.641 0.085 1 258 44 44 ILE H H 9.461 0.008 1 259 44 44 ILE HA H 4.813 0.007 1 260 44 44 ILE HB H 1.610 0.006 1 261 44 44 ILE HG13 H 0.994 0.005 1 262 44 44 ILE HG2 H 0.898 0.011 1 263 44 44 ILE HD1 H 0.671 0.113 1 264 44 44 ILE CA C 60.279 0.095 1 265 44 44 ILE CB C 41.457 0.081 1 266 44 44 ILE CG1 C 27.801 0.1 1 267 44 44 ILE CG2 C 16.452 0.487 1 268 44 44 ILE CD1 C 14.039 0.070 1 269 44 44 ILE N N 126.838 0.049 1 270 45 45 ALA H H 8.477 0.007 1 271 45 45 ALA HA H 4.905 0.006 1 272 45 45 ALA HB H 1.529 0.011 1 273 45 45 ALA CA C 51.512 0.095 1 274 45 45 ALA CB C 19.097 0.065 1 275 45 45 ALA N N 130.162 0.033 1 276 46 46 GLY H H 9.259 0.004 1 277 46 46 GLY CA C 44.338 0.1 1 278 46 46 GLY N N 110.540 0.033 1 279 48 48 GLN HA H 4.073 0.005 1 280 48 48 GLN HB2 H 2.046 0.010 2 281 48 48 GLN HB3 H 2.141 0.005 2 282 48 48 GLN HG2 H 2.492 0.006 2 283 48 48 GLN CA C 57.561 0.087 1 284 48 48 GLN CB C 28.978 0.145 1 285 48 48 GLN CG C 33.828 0.070 1 286 49 49 ASP H H 9.363 0.005 1 287 49 49 ASP HA H 4.435 0.005 1 288 49 49 ASP HB2 H 3.031 0.005 2 289 49 49 ASP CA C 56.453 0.088 1 290 49 49 ASP CB C 39.316 0.090 1 291 49 49 ASP N N 119.789 0.047 1 292 50 50 SER H H 7.902 0.005 1 293 50 50 SER CA C 57.458 0.1 1 294 50 50 SER CB C 65.604 0.1 1 295 50 50 SER N N 115.403 0.029 1 296 51 51 PRO HA H 4.317 0.005 1 297 51 51 PRO CA C 63.539 0.075 1 298 51 51 PRO CB C 31.829 0.019 1 299 51 51 PRO CG C 27.729 0.1 1 300 51 51 PRO CD C 50.184 0.1 1 301 52 52 PHE H H 7.279 0.002 1 302 52 52 PHE HA H 5.393 0.005 1 303 52 52 PHE HB2 H 2.476 0.004 2 304 52 52 PHE HB3 H 3.954 0.004 2 305 52 52 PHE CA C 55.362 0.161 1 306 52 52 PHE CB C 39.391 0.118 1 307 52 52 PHE N N 115.172 0.048 1 308 53 53 GLU H H 7.400 0.005 1 309 53 53 GLU HA H 3.701 0.004 1 310 53 53 GLU HB2 H 2.302 0.005 2 311 53 53 GLU HG2 H 2.337 0.005 2 312 53 53 GLU CA C 58.387 0.052 1 313 53 53 GLU CB C 30.056 0.106 1 314 53 53 GLU CG C 35.884 0.1 1 315 53 53 GLU N N 123.161 0.045 1 316 54 54 GLY H H 9.262 0.008 1 317 54 54 GLY HA2 H 4.433 0.005 2 318 54 54 GLY HA3 H 3.762 0.005 2 319 54 54 GLY CA C 44.818 0.076 1 320 54 54 GLY N N 116.011 0.042 1 321 55 55 GLY H H 8.429 0.006 1 322 55 55 GLY HA2 H 3.492 0.008 2 323 55 55 GLY HA3 H 4.487 0.004 2 324 55 55 GLY CA C 44.677 0.080 1 325 55 55 GLY N N 106.661 0.026 1 326 56 56 THR H H 9.181 0.009 1 327 56 56 THR HA H 4.560 0.011 1 328 56 56 THR HB H 3.855 0.007 1 329 56 56 THR HG2 H 1.084 0.009 1 330 56 56 THR CA C 61.901 0.071 1 331 56 56 THR CB C 70.216 0.098 1 332 56 56 THR CG2 C 22.218 0.059 1 333 56 56 THR N N 118.778 0.037 1 334 57 57 PHE H H 8.731 0.005 1 335 57 57 PHE HA H 4.625 0.007 1 336 57 57 PHE HB2 H 2.882 0.006 2 337 57 57 PHE HB3 H 3.106 0.007 2 338 57 57 PHE CA C 57.150 0.066 1 339 57 57 PHE CB C 41.097 0.131 1 340 57 57 PHE N N 123.155 0.066 1 341 58 58 LYS H H 9.281 0.003 1 342 58 58 LYS HA H 5.125 0.011 1 343 58 58 LYS HB2 H 1.769 0.004 2 344 58 58 LYS HB3 H 1.953 0.010 2 345 58 58 LYS HG2 H 1.463 0.002 2 346 58 58 LYS HD2 H 1.720 0.006 2 347 58 58 LYS HE2 H 2.986 0.005 2 348 58 58 LYS CA C 55.691 0.114 1 349 58 58 LYS CB C 33.844 0.074 1 350 58 58 LYS CG C 25.819 0.034 1 351 58 58 LYS CD C 29.405 0.172 1 352 58 58 LYS CE C 41.907 0.1 1 353 58 58 LYS N N 123.131 0.051 1 354 59 59 LEU H H 9.513 0.008 1 355 59 59 LEU HA H 5.065 0.006 1 356 59 59 LEU HB2 H 1.019 0.005 2 357 59 59 LEU HB3 H 1.295 0.007 2 358 59 59 LEU HG H 1.070 0.003 1 359 59 59 LEU HD1 H 0.199 0.009 1 360 59 59 LEU HD2 H -0.013 0.009 1 361 59 59 LEU CA C 54.870 0.090 1 362 59 59 LEU CB C 45.799 0.094 1 363 59 59 LEU CG C 28.220 0.130 1 364 59 59 LEU CD1 C 25.391 0.024 1 365 59 59 LEU CD2 C 27.089 0.110 1 366 59 59 LEU N N 124.389 0.060 1 367 60 60 GLU H H 8.782 0.009 1 368 60 60 GLU HA H 4.973 0.006 1 369 60 60 GLU HB2 H 2.101 0.003 2 370 60 60 GLU HG2 H 2.109 0.005 2 371 60 60 GLU HG3 H 2.354 0.003 2 372 60 60 GLU CA C 54.724 0.115 1 373 60 60 GLU CB C 33.654 0.097 1 374 60 60 GLU CG C 37.534 0.080 1 375 60 60 GLU N N 121.881 0.079 1 376 61 61 LEU H H 8.309 0.006 1 377 61 61 LEU HA H 5.249 0.006 1 378 61 61 LEU HB2 H 1.183 0.005 2 379 61 61 LEU HB3 H 1.484 0.008 2 380 61 61 LEU HG H 1.343 0.012 1 381 61 61 LEU HD1 H 0.319 0.011 1 382 61 61 LEU HD2 H 0.460 0.008 1 383 61 61 LEU CA C 53.956 0.108 1 384 61 61 LEU CB C 45.590 0.123 1 385 61 61 LEU CD1 C 24.966 0.097 1 386 61 61 LEU CD2 C 27.099 0.080 1 387 61 61 LEU N N 127.697 0.100 1 388 62 62 PHE H H 9.380 0.015 1 389 62 62 PHE HA H 5.546 0.003 1 390 62 62 PHE HB2 H 2.658 0.004 2 391 62 62 PHE HB3 H 2.772 0.004 2 392 62 62 PHE CA C 54.913 0.044 1 393 62 62 PHE CB C 42.924 0.079 1 394 62 62 PHE N N 126.516 0.049 1 395 63 63 LEU H H 8.370 0.010 1 396 63 63 LEU HA H 4.330 0.007 1 397 63 63 LEU HB2 H 1.572 0.006 2 398 63 63 LEU HG H 1.329 0.005 1 399 63 63 LEU HD1 H -0.263 0.011 1 400 63 63 LEU HD2 H 0.539 0.009 1 401 63 63 LEU CA C 50.058 0.064 1 402 63 63 LEU CB C 41.397 0.118 1 403 63 63 LEU CG C 25.518 0.029 1 404 63 63 LEU CD1 C 21.910 0.035 1 405 63 63 LEU CD2 C 26.618 0.053 1 406 63 63 LEU N N 126.943 0.114 1 407 65 65 GLU HA H 3.740 0.006 1 408 65 65 GLU HB2 H 2.022 0.003 2 409 65 65 GLU HG2 H 2.344 0.003 2 410 65 65 GLU CA C 60.281 0.113 1 411 65 65 GLU CB C 29.217 0.100 1 412 65 65 GLU CG C 36.681 0.095 1 413 66 66 GLU H H 8.749 0.006 1 414 66 66 GLU HA H 4.323 0.004 1 415 66 66 GLU HB2 H 1.875 0.002 2 416 66 66 GLU HB3 H 2.183 0.005 2 417 66 66 GLU HG2 H 2.235 0.005 2 418 66 66 GLU HG3 H 2.360 0.002 2 419 66 66 GLU CA C 57.049 0.105 1 420 66 66 GLU CB C 29.369 0.069 1 421 66 66 GLU CG C 37.053 0.078 1 422 66 66 GLU N N 114.321 0.059 1 423 67 67 TYR H H 8.285 0.006 1 424 67 67 TYR CA C 58.335 0.1 1 425 67 67 TYR CB C 39.583 0.1 1 426 67 67 TYR N N 124.915 0.043 1 427 68 68 PRO HA H 3.723 0.005 1 428 68 68 PRO CA C 64.124 0.083 1 429 68 68 PRO CB C 33.232 0.009 1 430 69 69 MET H H 9.037 0.006 1 431 69 69 MET HA H 4.487 0.009 1 432 69 69 MET HB2 H 2.244 0.005 2 433 69 69 MET HG2 H 2.593 0.010 2 434 69 69 MET HG3 H 2.787 0.005 2 435 69 69 MET HE H 2.111 0.005 1 436 69 69 MET CA C 57.163 0.103 1 437 69 69 MET CB C 30.614 0.081 1 438 69 69 MET CG C 33.004 0.101 1 439 69 69 MET CE C 16.752 0.1 1 440 69 69 MET N N 125.492 0.021 1 441 70 70 ALA H H 6.785 0.005 1 442 70 70 ALA HA H 4.319 0.005 1 443 70 70 ALA HB H 1.139 0.002 1 444 70 70 ALA CA C 49.697 0.092 1 445 70 70 ALA CB C 22.451 0.078 1 446 70 70 ALA N N 120.004 0.037 1 447 71 71 ALA H H 7.258 0.004 1 448 71 71 ALA CA C 49.341 0.1 1 449 71 71 ALA CB C 18.218 0.1 1 450 71 71 ALA N N 119.799 0.046 1 451 72 72 PRO HA H 4.283 0.003 1 452 72 72 PRO CA C 61.984 0.099 1 453 72 72 PRO CB C 31.715 0.077 1 454 72 72 PRO CG C 27.020 0.1 1 455 73 73 LYS H H 8.758 0.005 1 456 73 73 LYS HA H 4.634 0.005 1 457 73 73 LYS CA C 54.582 0.113 1 458 73 73 LYS CB C 33.176 0.118 1 459 73 73 LYS CE C 42.106 0.1 1 460 73 73 LYS N N 120.538 0.056 1 461 74 74 VAL H H 8.652 0.005 1 462 74 74 VAL HA H 5.314 0.011 1 463 74 74 VAL HB H 1.762 0.005 1 464 74 74 VAL HG1 H 0.687 0.012 1 465 74 74 VAL HG2 H 0.692 0.013 1 466 74 74 VAL CA C 59.589 0.128 1 467 74 74 VAL CB C 34.749 0.090 1 468 74 74 VAL CG1 C 21.528 0.067 1 469 74 74 VAL CG2 C 22.386 0.116 1 470 74 74 VAL N N 122.625 0.055 1 471 75 75 ARG H H 8.446 0.004 1 472 75 75 ARG HA H 4.975 0.004 1 473 75 75 ARG HB2 H 1.702 0.005 2 474 75 75 ARG HB3 H 1.847 0.009 2 475 75 75 ARG HG2 H 1.498 0.007 2 476 75 75 ARG HD2 H 3.122 0.005 2 477 75 75 ARG HD3 H 3.275 0.005 2 478 75 75 ARG CA C 54.643 0.065 1 479 75 75 ARG CB C 33.771 0.081 1 480 75 75 ARG CD C 43.767 0.1 1 481 75 75 ARG N N 122.296 0.057 1 482 76 76 PHE H H 10.198 0.010 1 483 76 76 PHE HA H 4.554 0.004 1 484 76 76 PHE HB2 H 3.046 0.004 2 485 76 76 PHE HB3 H 3.420 0.015 2 486 76 76 PHE CA C 59.987 0.114 1 487 76 76 PHE CB C 40.227 0.117 1 488 76 76 PHE N N 124.214 0.090 1 489 77 77 MET H H 9.446 0.005 1 490 77 77 MET HA H 4.689 0.002 1 491 77 77 MET HB2 H 1.725 0.003 2 492 77 77 MET HB3 H 2.348 0.006 2 493 77 77 MET HG2 H 2.360 0.004 2 494 77 77 MET HG3 H 2.609 0.004 2 495 77 77 MET CA C 54.880 0.073 1 496 77 77 MET CB C 32.862 0.134 1 497 77 77 MET N N 121.098 0.048 1 498 78 78 THR H H 7.478 0.003 1 499 78 78 THR HA H 4.497 0.005 1 500 78 78 THR HB H 4.077 0.008 1 501 78 78 THR HG2 H 1.726 0.012 1 502 78 78 THR CA C 62.674 0.101 1 503 78 78 THR CB C 71.888 0.096 1 504 78 78 THR CG2 C 22.731 0.099 1 505 78 78 THR N N 118.999 0.068 1 506 79 79 LYS H H 8.600 0.004 1 507 79 79 LYS HA H 4.118 0.014 1 508 79 79 LYS HB2 H 1.202 0.007 2 509 79 79 LYS HB3 H 1.361 0.009 2 510 79 79 LYS HG2 H 1.181 0.011 2 511 79 79 LYS HG3 H 1.331 0.014 2 512 79 79 LYS HD2 H 0.494 0.012 2 513 79 79 LYS HD3 H 0.905 0.007 2 514 79 79 LYS HE2 H 2.263 0.003 2 515 79 79 LYS CA C 58.270 0.054 1 516 79 79 LYS CB C 33.133 0.060 1 517 79 79 LYS CG C 22.741 6.846 1 518 79 79 LYS CD C 28.700 0.091 1 519 79 79 LYS CE C 41.426 0.1 1 520 79 79 LYS N N 128.507 0.059 1 521 80 80 ILE H H 8.111 0.007 1 522 80 80 ILE HA H 4.818 0.005 1 523 80 80 ILE HB H 1.619 0.009 1 524 80 80 ILE HG13 H 0.529 0.005 1 525 80 80 ILE HG2 H 0.167 0.011 1 526 80 80 ILE HD1 H -0.825 0.012 1 527 80 80 ILE CA C 60.380 0.117 1 528 80 80 ILE CB C 40.925 0.020 1 529 80 80 ILE CG2 C 13.885 0.025 1 530 80 80 ILE CD1 C 12.828 0.047 1 531 80 80 ILE N N 119.975 0.039 1 532 81 81 TYR H H 8.808 0.004 1 533 81 81 TYR HA H 3.981 0.006 1 534 81 81 TYR HB2 H 2.268 0.005 2 535 81 81 TYR HB3 H 2.268 0.005 2 536 81 81 TYR CA C 57.708 0.089 1 537 81 81 TYR CB C 37.050 0.062 1 538 81 81 TYR N N 133.391 0.037 1 539 82 82 HIS H H 7.906 0.009 1 540 82 82 HIS CA C 54.248 0.1 1 541 82 82 HIS CB C 35.565 0.1 1 542 82 82 HIS N N 123.017 0.140 1 543 83 83 PRO HA H 4.031 0.005 1 544 83 83 PRO HB2 H 1.519 0.012 2 545 83 83 PRO HG2 H 0.899 0.003 2 546 83 83 PRO CA C 64.282 0.102 1 547 83 83 PRO CB C 32.100 0.143 1 548 83 83 PRO CG C 26.492 0.009 1 549 83 83 PRO CD C 44.487 0.1 1 550 84 84 ASN H H 10.901 0.018 1 551 84 84 ASN HA H 4.872 0.008 1 552 84 84 ASN HB2 H 2.346 0.006 2 553 84 84 ASN HB3 H 3.425 0.007 2 554 84 84 ASN CA C 53.515 0.071 1 555 84 84 ASN CB C 40.723 0.067 1 556 84 84 ASN N N 118.003 0.050 1 557 85 85 VAL H H 7.346 0.004 1 558 85 85 VAL HA H 4.984 0.004 1 559 85 85 VAL HB H 1.489 0.006 1 560 85 85 VAL HG1 H 0.051 0.009 1 561 85 85 VAL HG2 H 0.757 0.009 1 562 85 85 VAL CA C 60.845 0.091 1 563 85 85 VAL CB C 34.779 0.180 1 564 85 85 VAL CG1 C 19.863 0.021 1 565 85 85 VAL CG2 C 20.921 0.026 1 566 85 85 VAL N N 120.026 0.064 1 567 86 86 ASP H H 8.455 0.005 1 568 86 86 ASP HA H 4.841 0.007 1 569 86 86 ASP HB2 H 3.503 0.011 2 570 86 86 ASP CA C 52.542 0.100 1 571 86 86 ASP CB C 41.791 0.172 1 572 86 86 ASP N N 125.993 0.077 1 573 87 87 LYS H H 8.248 0.006 1 574 87 87 LYS HA H 4.396 0.005 1 575 87 87 LYS HB2 H 2.018 0.005 2 576 87 87 LYS HG2 H 1.578 0.004 2 577 87 87 LYS HG3 H 1.672 0.001 2 578 87 87 LYS HD2 H 1.837 0.004 2 579 87 87 LYS HE2 H 3.138 0.001 2 580 87 87 LYS CA C 58.525 0.110 1 581 87 87 LYS CB C 32.229 0.133 1 582 87 87 LYS CG C 24.919 0.140 1 583 87 87 LYS CD C 29.434 0.076 1 584 87 87 LYS CE C 42.051 0.1 1 585 87 87 LYS N N 115.345 0.049 1 586 88 88 LEU H H 8.144 0.003 1 587 88 88 LEU HA H 4.585 0.009 1 588 88 88 LEU HB2 H 1.825 0.005 2 589 88 88 LEU HB3 H 1.892 0.005 2 590 88 88 LEU HG H 1.641 0.005 1 591 88 88 LEU HD1 H 0.916 0.015 1 592 88 88 LEU CA C 54.373 0.092 1 593 88 88 LEU CB C 42.045 0.098 1 594 88 88 LEU CG C 27.364 0.1 1 595 88 88 LEU CD1 C 23.011 0.091 1 596 88 88 LEU CD2 C 24.926 0.1 1 597 88 88 LEU N N 120.852 0.047 1 598 89 89 GLY H H 8.355 0.005 1 599 89 89 GLY HA2 H 3.737 0.011 2 600 89 89 GLY HA3 H 4.795 0.014 2 601 89 89 GLY CA C 46.020 0.101 1 602 89 89 GLY N N 109.471 0.050 1 603 90 90 ARG H H 8.574 0.003 1 604 90 90 ARG CA C 56.955 0.1 1 605 90 90 ARG CB C 29.910 0.1 1 606 90 90 ARG N N 121.259 0.030 1 607 91 91 ILE HA H 4.674 0.062 1 608 91 91 ILE HB H 1.523 0.005 1 609 91 91 ILE HG12 H 1.875 0.002 1 610 91 91 ILE HG13 H 0.840 0.004 1 611 91 91 ILE HG2 H 0.665 0.011 1 612 91 91 ILE HD1 H 0.630 0.008 1 613 91 91 ILE CA C 60.269 0.113 1 614 91 91 ILE CB C 40.905 0.104 1 615 91 91 ILE CG2 C 18.183 0.082 1 616 91 91 ILE CD1 C 15.388 0.070 1 617 92 92 CYS H H 8.789 0.005 1 618 92 92 CYS HA H 4.528 0.001 1 619 92 92 CYS HB2 H 2.763 0.006 2 620 92 92 CYS HB3 H 2.920 0.005 2 621 92 92 CYS CA C 57.669 0.166 1 622 92 92 CYS CB C 26.604 0.131 1 623 92 92 CYS N N 128.230 0.074 1 624 93 93 LEU H H 7.270 0.011 1 625 93 93 LEU HA H 4.709 0.002 1 626 93 93 LEU HB2 H 1.366 0.011 2 627 93 93 LEU HB3 H 1.549 0.007 2 628 93 93 LEU HD1 H 0.865 0.001 1 629 93 93 LEU HD2 H 0.914 0.003 1 630 93 93 LEU CA C 53.632 0.119 1 631 93 93 LEU CB C 46.336 0.058 1 632 93 93 LEU N N 125.941 0.051 1 633 94 94 ASP H H 9.305 0.011 1 634 94 94 ASP HA H 4.343 0.003 1 635 94 94 ASP HB2 H 2.699 0.007 2 636 94 94 ASP HB3 H 2.820 0.004 2 637 94 94 ASP CA C 58.116 0.096 1 638 94 94 ASP CB C 39.040 0.058 1 639 94 94 ASP N N 129.256 0.045 1 640 95 95 ILE H H 8.389 0.020 1 641 95 95 ILE HA H 3.826 0.004 1 642 95 95 ILE HB H 2.126 0.016 1 643 95 95 ILE HG12 H 1.356 0.002 1 644 95 95 ILE HG13 H 1.272 0.004 1 645 95 95 ILE HG2 H 0.968 0.012 1 646 95 95 ILE HD1 H 0.954 0.009 1 647 95 95 ILE CA C 64.103 0.096 1 648 95 95 ILE CB C 38.173 0.050 1 649 95 95 ILE CG2 C 18.153 0.109 1 650 95 95 ILE CD1 C 15.332 0.084 1 651 95 95 ILE N N 116.455 0.062 1 652 96 96 LEU H H 7.267 0.003 1 653 96 96 LEU HA H 4.607 0.009 1 654 96 96 LEU HD2 H 0.859 0.013 1 655 96 96 LEU CA C 53.889 0.149 1 656 96 96 LEU CB C 41.310 0.096 1 657 96 96 LEU CG C 27.155 0.1 1 658 96 96 LEU CD2 C 25.552 0.264 1 659 96 96 LEU N N 113.358 0.041 1 660 97 97 LYS H H 7.880 0.004 1 661 97 97 LYS HA H 4.580 0.006 1 662 97 97 LYS HB2 H 1.887 0.006 2 663 97 97 LYS HB3 H 2.048 0.005 2 664 97 97 LYS HG2 H 1.492 0.002 2 665 97 97 LYS HG3 H 1.567 0.005 2 666 97 97 LYS HD2 H 1.766 0.005 2 667 97 97 LYS HE2 H 3.039 0.005 2 668 97 97 LYS CA C 56.151 0.127 1 669 97 97 LYS CB C 32.856 0.079 1 670 97 97 LYS CG C 24.718 0.087 1 671 97 97 LYS CD C 29.313 0.091 1 672 97 97 LYS CE C 41.924 0.1 1 673 97 97 LYS N N 122.880 0.058 1 674 98 98 ASP H H 8.806 0.007 1 675 98 98 ASP HA H 4.623 0.005 1 676 98 98 ASP HB2 H 2.793 0.005 2 677 98 98 ASP CA C 55.939 0.105 1 678 98 98 ASP CB C 40.585 0.099 1 679 98 98 ASP N N 120.541 0.054 1 680 99 99 LYS H H 7.761 0.004 1 681 99 99 LYS HA H 4.554 0.005 1 682 99 99 LYS HE2 H 2.970 0.005 2 683 99 99 LYS CA C 54.582 0.058 1 684 99 99 LYS CB C 31.817 0.084 1 685 99 99 LYS CG C 25.052 0.1 1 686 99 99 LYS CD C 28.459 0.1 1 687 99 99 LYS CE C 41.952 0.1 1 688 99 99 LYS N N 115.413 0.033 1 689 100 100 TRP H H 7.344 0.011 1 690 100 100 TRP HA H 3.698 0.005 1 691 100 100 TRP HB2 H 2.869 0.005 2 692 100 100 TRP HB3 H 2.869 0.005 2 693 100 100 TRP CA C 59.265 0.041 1 694 100 100 TRP CB C 29.924 0.106 1 695 100 100 TRP N N 120.769 0.116 1 696 101 101 SER H H 5.463 0.016 1 697 101 101 SER CA C 54.550 0.1 1 698 101 101 SER CB C 64.991 0.1 1 699 101 101 SER N N 120.703 0.057 1 700 102 102 PRO HA H 4.416 0.006 1 701 102 102 PRO HB2 H 1.871 0.004 2 702 102 102 PRO HB3 H 2.088 0.001 2 703 102 102 PRO CA C 63.852 0.088 1 704 102 102 PRO CB C 31.688 0.061 1 705 102 102 PRO CG C 27.193 0.1 1 706 102 102 PRO CD C 52.621 0.1 1 707 103 103 ALA H H 7.348 0.021 1 708 103 103 ALA HA H 4.128 0.004 1 709 103 103 ALA HB H 1.197 0.010 1 710 103 103 ALA CA C 52.891 0.077 1 711 103 103 ALA CB C 18.895 0.068 1 712 103 103 ALA N N 119.128 0.075 1 713 104 104 LEU H H 7.389 0.003 1 714 104 104 LEU HA H 4.141 0.008 1 715 104 104 LEU HB2 H 0.886 0.004 2 716 104 104 LEU HB3 H 1.073 0.013 2 717 104 104 LEU HG H 1.345 0.002 1 718 104 104 LEU HD1 H 0.730 0.007 1 719 104 104 LEU HD2 H 0.818 0.008 1 720 104 104 LEU CA C 54.135 0.057 1 721 104 104 LEU CB C 41.499 0.085 1 722 104 104 LEU CD1 C 22.228 0.089 1 723 104 104 LEU CD2 C 26.479 0.042 1 724 104 104 LEU N N 119.227 0.037 1 725 105 105 GLN H H 7.132 0.005 1 726 105 105 GLN HA H 5.040 0.006 1 727 105 105 GLN HB2 H 2.608 0.004 2 728 105 105 GLN HG2 H 2.246 0.012 2 729 105 105 GLN HG3 H 2.357 0.008 2 730 105 105 GLN CA C 53.819 0.075 1 731 105 105 GLN CB C 32.475 0.053 1 732 105 105 GLN CG C 34.230 0.075 1 733 105 105 GLN N N 111.173 0.031 1 734 106 106 ILE H H 9.982 0.012 1 735 106 106 ILE HA H 3.341 0.010 1 736 106 106 ILE HB H 1.710 0.007 1 737 106 106 ILE HG12 H 0.470 0.003 1 738 106 106 ILE HG2 H 0.368 0.009 1 739 106 106 ILE HD1 H 0.312 0.008 1 740 106 106 ILE CA C 66.741 0.085 1 741 106 106 ILE CB C 37.557 0.151 1 742 106 106 ILE CG2 C 17.796 0.053 1 743 106 106 ILE CD1 C 13.373 0.049 1 744 106 106 ILE N N 123.917 0.058 1 745 107 107 ARG H H 9.261 0.006 1 746 107 107 ARG CA C 60.468 0.065 1 747 107 107 ARG CB C 30.418 0.129 1 748 107 107 ARG CG C 27.481 0.1 1 749 107 107 ARG CD C 42.843 0.1 1 750 107 107 ARG N N 117.755 0.046 1 751 108 108 THR H H 7.121 0.006 1 752 108 108 THR HA H 3.924 0.006 1 753 108 108 THR HB H 4.388 0.004 1 754 108 108 THR HG2 H 1.359 0.010 1 755 108 108 THR CA C 66.108 0.085 1 756 108 108 THR CB C 68.914 0.144 1 757 108 108 THR CG2 C 22.850 0.070 1 758 108 108 THR N N 113.087 0.043 1 759 109 109 VAL H H 7.806 0.007 1 760 109 109 VAL HA H 3.472 0.005 1 761 109 109 VAL HB H 2.440 0.003 1 762 109 109 VAL HG1 H 0.790 0.002 1 763 109 109 VAL HG2 H 1.163 0.009 1 764 109 109 VAL CA C 67.020 0.092 1 765 109 109 VAL CB C 31.431 0.108 1 766 109 109 VAL CG1 C 21.814 0.045 1 767 109 109 VAL CG2 C 23.410 0.016 1 768 109 109 VAL N N 122.756 0.062 1 769 110 110 LEU H H 8.136 0.004 1 770 110 110 LEU CA C 58.268 0.117 1 771 110 110 LEU CB C 40.618 0.088 1 772 110 110 LEU CG C 25.821 0.1 1 773 110 110 LEU N N 117.737 0.061 1 774 111 111 LEU H H 8.278 0.004 1 775 111 111 LEU HA H 3.993 0.002 1 776 111 111 LEU HB2 H 1.582 0.011 2 777 111 111 LEU HB3 H 1.939 0.004 2 778 111 111 LEU HG H 1.724 0.011 1 779 111 111 LEU HD1 H 0.944 0.005 1 780 111 111 LEU CA C 58.190 0.095 1 781 111 111 LEU CB C 42.324 0.142 1 782 111 111 LEU CG C 27.466 0.075 1 783 111 111 LEU N N 118.485 0.047 1 784 112 112 SER H H 8.090 0.007 1 785 112 112 SER HA H 4.356 0.002 1 786 112 112 SER HB2 H 4.110 0.012 2 787 112 112 SER HB3 H 3.890 0.013 2 788 112 112 SER CA C 62.733 0.1 1 789 112 112 SER CB C 63.100 0.093 1 790 112 112 SER N N 116.432 0.084 1 791 113 113 ILE H H 8.099 0.002 1 792 113 113 ILE HA H 3.513 0.005 1 793 113 113 ILE HB H 1.696 0.006 1 794 113 113 ILE HG13 H 1.943 0.005 1 795 113 113 ILE HG2 H 0.619 0.010 1 796 113 113 ILE HD1 H 0.566 0.013 1 797 113 113 ILE CA C 65.545 0.090 1 798 113 113 ILE CB C 37.723 0.060 1 799 113 113 ILE CG2 C 17.764 0.077 1 800 113 113 ILE CD1 C 15.144 0.047 1 801 113 113 ILE N N 123.436 0.031 1 802 114 114 GLN H H 8.033 0.006 1 803 114 114 GLN HA H 3.725 0.007 1 804 114 114 GLN HB2 H 2.494 0.001 2 805 114 114 GLN HG2 H 2.233 0.009 2 806 114 114 GLN CA C 60.395 0.094 1 807 114 114 GLN CB C 30.396 0.124 1 808 114 114 GLN CG C 34.316 0.108 1 809 114 114 GLN N N 119.793 0.051 1 810 115 115 ALA H H 8.177 0.007 1 811 115 115 ALA HA H 4.223 0.004 1 812 115 115 ALA HB H 1.571 0.009 1 813 115 115 ALA CA C 54.879 0.092 1 814 115 115 ALA CB C 17.965 0.102 1 815 115 115 ALA N N 120.422 0.035 1 816 116 116 LEU H H 7.665 0.006 1 817 116 116 LEU HA H 4.168 0.016 1 818 116 116 LEU HD1 H 0.690 0.011 1 819 116 116 LEU CA C 56.397 0.063 1 820 116 116 LEU CB C 42.573 0.137 1 821 116 116 LEU CD1 C 24.771 0.022 1 822 116 116 LEU N N 120.176 0.041 1 823 117 117 LEU H H 7.681 0.007 1 824 117 117 LEU HA H 3.920 0.009 1 825 117 117 LEU HB2 H 2.029 0.007 2 826 117 117 LEU HB3 H 1.246 0.008 2 827 117 117 LEU HG H 1.524 0.002 1 828 117 117 LEU HD1 H -0.134 0.007 1 829 117 117 LEU HD2 H 0.467 0.009 1 830 117 117 LEU CA C 58.048 0.130 1 831 117 117 LEU CB C 41.246 0.106 1 832 117 117 LEU CG C 27.170 0.108 1 833 117 117 LEU CD1 C 22.580 0.063 1 834 117 117 LEU CD2 C 25.110 0.034 1 835 117 117 LEU N N 119.327 0.065 1 836 118 118 SER H H 7.286 0.006 1 837 118 118 SER HA H 4.461 0.007 1 838 118 118 SER HB2 H 4.015 0.004 2 839 118 118 SER CA C 60.774 0.080 1 840 118 118 SER CB C 63.884 0.076 1 841 118 118 SER N N 110.474 0.093 1 842 119 119 ALA H H 7.853 0.005 1 843 119 119 ALA HA H 4.864 0.011 1 844 119 119 ALA HB H 1.273 0.011 1 845 119 119 ALA CA C 49.980 0.041 1 846 119 119 ALA CB C 19.123 0.044 1 847 119 119 ALA N N 124.118 0.033 1 848 120 120 PRO HA H 4.183 0.005 1 849 120 120 PRO CA C 62.855 0.084 1 850 120 120 PRO CB C 31.819 0.112 1 851 120 120 PRO CG C 27.071 0.1 1 852 120 120 PRO CD C 49.284 0.1 1 853 121 121 ASN H H 8.739 0.006 1 854 121 121 ASN CA C 49.616 0.1 1 855 121 121 ASN CB C 39.170 0.1 1 856 121 121 ASN N N 116.791 0.037 1 857 122 122 PRO HA H 4.045 0.008 1 858 122 122 PRO HB2 H 1.940 0.006 2 859 122 122 PRO HB3 H 2.153 0.005 2 860 122 122 PRO HG2 H 1.813 0.005 2 861 122 122 PRO CA C 63.494 0.132 1 862 122 122 PRO CB C 32.322 0.083 1 863 122 122 PRO CG C 26.938 0.1 1 864 123 123 ASP H H 7.620 0.006 1 865 123 123 ASP HA H 4.593 0.010 1 866 123 123 ASP HB2 H 2.612 0.005 2 867 123 123 ASP HB3 H 2.768 0.007 2 868 123 123 ASP CA C 54.849 0.090 1 869 123 123 ASP CB C 40.946 0.136 1 870 123 123 ASP N N 116.956 0.082 1 871 124 124 ASP H H 7.123 0.008 1 872 124 124 ASP CA C 52.409 0.1 1 873 124 124 ASP CB C 41.984 0.1 1 874 124 124 ASP N N 120.786 0.055 1 875 125 125 PRO HA H 4.220 0.005 1 876 125 125 PRO CA C 63.917 0.041 1 877 125 125 PRO CB C 32.755 0.035 1 878 125 125 PRO CG C 26.840 0.1 1 879 125 125 PRO CD C 50.226 0.1 1 880 126 126 LEU H H 8.324 0.004 1 881 126 126 LEU HA H 4.499 0.013 1 882 126 126 LEU HB2 H 1.556 0.020 2 883 126 126 LEU HG H 1.525 0.005 1 884 126 126 LEU HD1 H 0.836 0.013 1 885 126 126 LEU HD2 H 0.910 0.010 1 886 126 126 LEU CA C 54.611 0.086 1 887 126 126 LEU CB C 42.935 0.071 1 888 126 126 LEU CG C 27.200 0.1 1 889 126 126 LEU CD1 C 23.817 0.093 1 890 126 126 LEU CD2 C 24.625 0.060 1 891 126 126 LEU N N 119.014 0.048 1 892 127 127 ALA H H 7.627 0.004 1 893 127 127 ALA HA H 4.515 0.006 1 894 127 127 ALA HB H 1.424 0.013 1 895 127 127 ALA CA C 51.996 0.073 1 896 127 127 ALA CB C 18.791 0.029 1 897 127 127 ALA N N 123.266 0.055 1 898 129 129 ASP HA H 4.419 0.004 1 899 129 129 ASP HB2 H 2.764 0.005 2 900 129 129 ASP HB3 H 2.852 0.003 2 901 129 129 ASP CA C 56.895 0.076 1 902 129 129 ASP CB C 39.536 0.099 1 903 130 130 VAL H H 7.805 0.009 1 904 130 130 VAL HA H 3.651 0.013 1 905 130 130 VAL HB H 1.913 0.009 1 906 130 130 VAL HG1 H 0.242 0.010 1 907 130 130 VAL HG2 H 0.629 0.008 1 908 130 130 VAL CA C 65.366 0.185 1 909 130 130 VAL CB C 31.678 0.116 1 910 130 130 VAL CG1 C 20.734 0.063 1 911 130 130 VAL CG2 C 21.580 0.020 1 912 130 130 VAL N N 122.141 0.057 1 913 131 131 ALA H H 8.248 0.008 1 914 131 131 ALA HA H 3.892 0.009 1 915 131 131 ALA HB H 1.627 0.009 1 916 131 131 ALA CA C 55.885 0.103 1 917 131 131 ALA CB C 18.922 0.096 1 918 131 131 ALA N N 122.067 0.043 1 919 132 132 GLU H H 8.033 0.004 1 920 132 132 GLU HA H 4.095 0.004 1 921 132 132 GLU HB2 H 2.134 0.005 2 922 132 132 GLU HB3 H 2.213 0.006 2 923 132 132 GLU HG2 H 2.316 0.005 2 924 132 132 GLU HG3 H 2.359 0.005 2 925 132 132 GLU CA C 59.651 0.107 1 926 132 132 GLU CB C 29.251 0.071 1 927 132 132 GLU CG C 35.864 0.1 1 928 132 132 GLU N N 116.620 0.063 1 929 133 133 GLN H H 7.771 0.006 1 930 133 133 GLN CA C 58.717 0.034 1 931 133 133 GLN CB C 28.388 0.068 1 932 133 133 GLN CG C 33.782 0.1 1 933 133 133 GLN N N 120.359 0.041 1 934 134 134 TRP H H 8.467 0.007 1 935 134 134 TRP CA C 61.386 0.159 1 936 134 134 TRP CB C 28.668 0.055 1 937 134 134 TRP N N 120.666 0.023 1 938 135 135 LYS H H 7.927 0.003 1 939 135 135 LYS HA H 4.260 0.005 1 940 135 135 LYS HB2 H 1.978 0.021 2 941 135 135 LYS CA C 58.332 0.169 1 942 135 135 LYS CB C 33.155 0.084 1 943 135 135 LYS CG C 24.904 0.1 1 944 135 135 LYS CD C 28.720 0.1 1 945 135 135 LYS CE C 41.605 0.1 1 946 135 135 LYS N N 112.864 0.042 1 947 136 136 THR H H 8.060 0.004 1 948 136 136 THR HA H 4.283 0.004 1 949 136 136 THR HB H 4.242 0.002 1 950 136 136 THR HG2 H 1.324 0.009 1 951 136 136 THR CA C 64.058 0.062 1 952 136 136 THR CB C 70.298 0.084 1 953 136 136 THR CG2 C 21.680 0.060 1 954 136 136 THR N N 111.342 0.051 1 955 137 137 ASN H H 8.457 0.005 1 956 137 137 ASN HA H 4.823 0.006 1 957 137 137 ASN HB2 H 2.597 0.008 2 958 137 137 ASN HB3 H 3.010 0.005 2 959 137 137 ASN CA C 52.081 0.097 1 960 137 137 ASN CB C 38.092 0.075 1 961 137 137 ASN N N 122.784 0.032 1 962 138 138 GLU H H 8.515 0.004 1 963 138 138 GLU HA H 3.606 0.009 1 964 138 138 GLU HB2 H 2.322 0.008 2 965 138 138 GLU HG2 H 2.106 0.005 2 966 138 138 GLU CA C 60.430 0.098 1 967 138 138 GLU CB C 30.416 0.068 1 968 138 138 GLU CG C 36.385 0.095 1 969 138 138 GLU N N 125.808 0.052 1 970 139 139 ALA H H 8.367 0.003 1 971 139 139 ALA HA H 3.949 0.003 1 972 139 139 ALA HB H 1.412 0.010 1 973 139 139 ALA CA C 51.442 8.866 1 974 139 139 ALA CB C 17.888 0.095 1 975 139 139 ALA N N 118.296 0.042 1 976 140 140 GLN H H 7.319 0.003 1 977 140 140 GLN HA H 3.989 0.007 1 978 140 140 GLN HB2 H 1.934 0.011 2 979 140 140 GLN HG2 H 2.263 0.004 2 980 140 140 GLN CA C 57.714 0.061 1 981 140 140 GLN CB C 28.942 0.070 1 982 140 140 GLN CG C 34.170 0.092 1 983 140 140 GLN N N 117.570 0.040 1 984 141 141 ALA H H 7.996 0.003 1 985 141 141 ALA HA H 3.922 0.009 1 986 141 141 ALA HB H 0.566 0.010 1 987 141 141 ALA CA C 55.036 0.067 1 988 141 141 ALA CB C 17.145 0.119 1 989 141 141 ALA N N 125.561 0.033 1 990 142 142 ILE H H 8.146 0.003 1 991 142 142 ILE HA H 3.188 0.006 1 992 142 142 ILE HB H 1.719 0.005 1 993 142 142 ILE HG12 H 0.899 0.002 1 994 142 142 ILE HG13 H 1.337 0.007 1 995 142 142 ILE HG2 H 0.784 0.009 1 996 142 142 ILE HD1 H 0.790 0.009 1 997 142 142 ILE CA C 65.271 0.100 1 998 142 142 ILE CB C 37.666 0.071 1 999 142 142 ILE CG2 C 16.956 0.043 1 1000 142 142 ILE CD1 C 13.547 0.048 1 1001 142 142 ILE N N 117.529 0.067 1 1002 143 143 GLU H H 7.475 0.004 1 1003 143 143 GLU HA H 3.987 0.005 1 1004 143 143 GLU HG2 H 2.321 0.005 2 1005 143 143 GLU CA C 59.395 0.060 1 1006 143 143 GLU CB C 28.966 0.140 1 1007 143 143 GLU CG C 35.867 0.1 1 1008 143 143 GLU N N 119.175 0.065 1 1009 144 144 THR H H 8.286 0.004 1 1010 144 144 THR HA H 3.807 0.011 1 1011 144 144 THR HB H 3.670 0.012 1 1012 144 144 THR HG2 H -0.083 0.012 1 1013 144 144 THR CA C 66.666 0.147 1 1014 144 144 THR CB C 68.277 0.128 1 1015 144 144 THR CG2 C 20.124 0.091 1 1016 144 144 THR N N 120.212 0.041 1 1017 145 145 ALA H H 8.665 0.006 1 1018 145 145 ALA HA H 4.344 0.007 1 1019 145 145 ALA HB H 1.798 0.009 1 1020 145 145 ALA CA C 55.904 0.143 1 1021 145 145 ALA CB C 18.657 0.082 1 1022 145 145 ALA N N 125.032 0.054 1 1023 146 146 ARG H H 8.696 0.004 1 1024 146 146 ARG HA H 4.377 0.005 1 1025 146 146 ARG HE H 3.200 0.005 1 1026 146 146 ARG CA C 59.776 0.101 1 1027 146 146 ARG CB C 30.396 0.109 1 1028 146 146 ARG CG C 27.674 0.1 1 1029 146 146 ARG CD C 43.450 0.1 1 1030 146 146 ARG N N 121.727 0.047 1 1031 147 147 ALA H H 8.391 0.006 1 1032 147 147 ALA HA H 4.221 0.004 1 1033 147 147 ALA HB H 1.742 0.009 1 1034 147 147 ALA CA C 55.559 0.135 1 1035 147 147 ALA CB C 17.661 0.091 1 1036 147 147 ALA N N 125.015 0.035 1 1037 148 148 TRP H H 9.742 0.004 1 1038 148 148 TRP CA C 61.052 0.1 1 1039 148 148 TRP CB C 29.117 0.1 1 1040 148 148 TRP N N 119.388 0.053 1 1041 149 149 THR HA H 4.341 0.014 1 1042 149 149 THR HB H 4.858 0.005 1 1043 149 149 THR HG2 H 1.127 0.012 1 1044 149 149 THR CA C 68.225 0.164 1 1045 149 149 THR CB C 68.183 0.1 1 1046 149 149 THR CG2 C 22.507 0.010 1 1047 150 150 ARG H H 7.615 0.001 1 1048 150 150 ARG HA H 4.262 0.010 1 1049 150 150 ARG HB2 H 1.948 0.023 2 1050 150 150 ARG HG2 H 1.698 0.002 2 1051 150 150 ARG HG3 H 1.868 0.005 2 1052 150 150 ARG HD2 H 3.252 0.010 2 1053 150 150 ARG HD3 H 3.299 0.007 2 1054 150 150 ARG CA C 58.923 0.086 1 1055 150 150 ARG CB C 30.060 0.063 1 1056 150 150 ARG CG C 27.524 0.086 1 1057 150 150 ARG CD C 43.278 0.056 1 1058 150 150 ARG N N 120.138 0.035 1 1059 151 151 LEU H H 7.998 0.006 1 1060 151 151 LEU HA H 3.929 0.006 1 1061 151 151 LEU HB2 H 0.388 0.011 2 1062 151 151 LEU HB3 H 0.974 0.006 2 1063 151 151 LEU HG H 1.212 0.004 1 1064 151 151 LEU HD1 H 0.565 0.010 1 1065 151 151 LEU HD2 H 0.582 0.006 1 1066 151 151 LEU CA C 57.215 0.110 1 1067 151 151 LEU CB C 42.797 0.105 1 1068 151 151 LEU CG C 26.585 0.100 1 1069 151 151 LEU CD1 C 23.410 0.038 1 1070 151 151 LEU CD2 C 24.065 0.080 1 1071 151 151 LEU N N 117.074 0.041 1 1072 152 152 TYR H H 8.060 0.005 1 1073 152 152 TYR HA H 5.087 0.008 1 1074 152 152 TYR HB2 H 2.741 0.015 2 1075 152 152 TYR HB3 H 3.581 0.010 2 1076 152 152 TYR CA C 57.597 0.136 1 1077 152 152 TYR CB C 40.668 0.148 1 1078 152 152 TYR N N 112.407 0.025 1 1079 153 153 ALA H H 8.070 0.005 1 1080 153 153 ALA HA H 4.907 0.005 1 1081 153 153 ALA HB H 1.157 0.010 1 1082 153 153 ALA CA C 51.119 0.131 1 1083 153 153 ALA CB C 21.731 0.143 1 1084 153 153 ALA N N 121.815 0.027 1 1085 154 154 MET H H 7.647 0.003 1 1086 154 154 MET CB C 34.307 0.1 1 1087 154 154 MET N N 116.776 0.034 1 1088 156 156 ASN HA H 4.710 0.020 1 1089 156 156 ASN HB2 H 2.786 0.005 2 1090 156 156 ASN HB3 H 2.903 0.002 2 1091 156 156 ASN CA C 53.511 0.130 1 1092 156 156 ASN CB C 38.596 0.091 1 1093 157 157 ILE H H 7.577 0.002 1 1094 157 157 ILE HA H 4.097 0.005 1 1095 157 157 ILE HB H 1.862 0.004 1 1096 157 157 ILE HG12 H 1.408 0.001 1 1097 157 157 ILE HG13 H 1.169 0.004 1 1098 157 157 ILE HG2 H 0.888 0.014 1 1099 157 157 ILE HD1 H 0.859 0.010 1 1100 157 157 ILE CA C 62.751 0.1 1 1101 157 157 ILE CB C 39.413 0.115 1 1102 157 157 ILE CG2 C 18.142 0.040 1 1103 157 157 ILE CD1 C 13.627 0.074 1 1104 157 157 ILE N N 124.463 0.031 1 stop_ save_