data_17959 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side chain 1H, 13C, and 15N assignments of the ubiquitin-like domain of human HOIL-1L ; _BMRB_accession_number 17959 _BMRB_flat_file_name bmr17959.str _Entry_type original _Submission_date 2011-09-26 _Accession_date 2011-09-26 _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 Uekusa Yoshinori . . 2 Mimura Syunsuke . . 3 Sasakawa Hiroaki . . 4 Kurimoto Eiji . . 5 Sakata Eri . . 6 Olivier Serve . . 7 Yagi Hirokazu . . 8 Tokunaga Fumimori . . 9 Iwai Kazuhiro . . 10 Kato Koichi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 648 "13C chemical shifts" 513 "15N chemical shifts" 121 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-17 update BMRB 'update entry citation' 2011-12-12 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone and side chain 1H, 13C, and 15N assignments of the ubiquitin-like domain of human HOIL-1L, an essential component of linear ubiquitin chain assembly complex.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22127525 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Uekusa Yoshinori . . 2 Mimura Syunsuke . . 3 Sasakawa Hiroaki . . 4 Kurimoto Eiji . . 5 Sakata Eri . . 6 Olivier Serve . . 7 Yagi Hirokazu . . 8 Tokunaga Fuminori . . 9 Iwai Kazuhiro . . 10 Kato Koichi . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 177 _Page_last 180 _Year 2012 _Details . loop_ _Keyword HOIL-1L 'NMR spectroscopy' 'Resonance assignment' 'Ubiquitin-like domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human HOIL-1L' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human HOIL-1L' $HOIL-1L 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_HOIL-1L _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HOIL-1L _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 129 _Mol_residue_sequence ; GSHMQRVPLSVQLKPEVSPT QDIRLWVSVEDAQMHTVTIW LTVRPDMTVASLKDMVFLDY GFPPVLQQWVIGQRLARDQE TLHSHGVRQNGDSAYLYLLS ARNTSLNPQELQRERQLRML QDLGFKDLT ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 GLN 6 ARG 7 VAL 8 PRO 9 LEU 10 SER 11 VAL 12 GLN 13 LEU 14 LYS 15 PRO 16 GLU 17 VAL 18 SER 19 PRO 20 THR 21 GLN 22 ASP 23 ILE 24 ARG 25 LEU 26 TRP 27 VAL 28 SER 29 VAL 30 GLU 31 ASP 32 ALA 33 GLN 34 MET 35 HIS 36 THR 37 VAL 38 THR 39 ILE 40 TRP 41 LEU 42 THR 43 VAL 44 ARG 45 PRO 46 ASP 47 MET 48 THR 49 VAL 50 ALA 51 SER 52 LEU 53 LYS 54 ASP 55 MET 56 VAL 57 PHE 58 LEU 59 ASP 60 TYR 61 GLY 62 PHE 63 PRO 64 PRO 65 VAL 66 LEU 67 GLN 68 GLN 69 TRP 70 VAL 71 ILE 72 GLY 73 GLN 74 ARG 75 LEU 76 ALA 77 ARG 78 ASP 79 GLN 80 GLU 81 THR 82 LEU 83 HIS 84 SER 85 HIS 86 GLY 87 VAL 88 ARG 89 GLN 90 ASN 91 GLY 92 ASP 93 SER 94 ALA 95 TYR 96 LEU 97 TYR 98 LEU 99 LEU 100 SER 101 ALA 102 ARG 103 ASN 104 THR 105 SER 106 LEU 107 ASN 108 PRO 109 GLN 110 GLU 111 LEU 112 GLN 113 ARG 114 GLU 115 ARG 116 GLN 117 LEU 118 ARG 119 MET 120 LEU 121 GLN 122 ASP 123 LEU 124 GLY 125 PHE 126 LYS 127 ASP 128 LEU 129 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17828 HOIL-1_Ubl 68.99 90 100.00 100.00 1.41e-57 PDB 2LGY "Ubiquitin-Like Domain From Hoil-1" 68.99 90 100.00 100.00 1.41e-57 PDB 4DBG "Crystal Structure Of Hoil-1l-Ubl Complexed With A Hoip-Uba Derivative" 81.40 105 100.00 100.00 1.47e-69 DBJ BAC75409 "ubiquitin ligase [Homo sapiens]" 82.17 468 99.06 100.00 6.78e-67 DBJ BAG59927 "unnamed protein product [Homo sapiens]" 96.90 272 99.20 100.00 8.02e-83 DBJ BAG64417 "unnamed protein product [Homo sapiens]" 96.90 259 99.20 100.00 5.44e-83 GB AAD00162 "HBV associated factor [Homo sapiens]" 82.17 468 99.06 100.00 5.66e-67 GB AAH15219 "RanBP-type and C3HC4-type zinc finger containing 1 [Homo sapiens]" 96.90 500 99.20 100.00 1.16e-80 GB AIC59659 "RBCK1, partial [synthetic construct]" 82.17 230 99.06 100.00 4.84e-69 GB EAX10673 "hCG2019817, isoform CRA_a [Homo sapiens]" 82.17 468 99.06 100.00 5.66e-67 GB EAX10675 "hCG2019817, isoform CRA_c [Homo sapiens]" 96.90 510 99.20 100.00 9.49e-81 REF NP_001253226 "ranBP-type and C3HC4-type zinc finger-containing protein 1 [Macaca mulatta]" 96.90 510 99.20 100.00 8.17e-81 REF NP_006453 "ranBP-type and C3HC4-type zinc finger-containing protein 1 isoform 1 [Homo sapiens]" 82.17 468 99.06 100.00 5.66e-67 REF NP_112506 "ranBP-type and C3HC4-type zinc finger-containing protein 1 isoform 2 [Homo sapiens]" 96.90 510 99.20 100.00 9.49e-81 REF XP_001152050 "PREDICTED: ranBP-type and C3HC4-type zinc finger-containing protein 1 isoform X2 [Pan troglodytes]" 96.90 510 99.20 100.00 9.80e-81 REF XP_002830204 "PREDICTED: LOW QUALITY PROTEIN: ranBP-type and C3HC4-type zinc finger-containing protein 1 [Pongo abelii]" 96.90 510 98.40 99.20 5.44e-80 SP Q9BYM8 "RecName: Full=RanBP-type and C3HC4-type zinc finger-containing protein 1; AltName: Full=HBV-associated factor 4; AltName: Full=" 96.90 510 99.20 100.00 9.49e-81 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HOIL-1L 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 $HOIL-1L 'recombinant technology' . Escherichia coli . pET-28b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'acetic acid' 10 mM 'natural abundance' $HOIL-1L 0.5 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version 2.1.5 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer JEOL _Model ECA _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_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)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' 0 . M pH 4.0 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.25144952 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.10132905 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D HBHA(CO)NH' '3D H(CCO)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 'human HOIL-1L' _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 C C 170.38 0.2 1 2 1 1 GLY CA C 43.37 0.2 1 3 2 2 SER H H 8.597 0.02 1 4 2 2 SER HA H 4.450 0.02 1 5 2 2 SER HB2 H 3.785 0.02 2 6 2 2 SER HB3 H 3.785 0.02 2 7 2 2 SER C C 174.54 0.2 1 8 2 2 SER CA C 58.50 0.2 1 9 2 2 SER CB C 64.50 0.2 1 10 2 2 SER N N 115.46 0.2 1 11 3 3 HIS H H 8.679 0.02 1 12 3 3 HIS HA H 4.730 0.02 1 13 3 3 HIS HB2 H 3.157 0.02 2 14 3 3 HIS HB3 H 3.278 0.02 2 15 3 3 HIS C C 174.40 0.2 1 16 3 3 HIS CA C 55.50 0.2 1 17 3 3 HIS CB C 28.81 0.2 1 18 3 3 HIS N N 120.58 0.2 1 19 4 4 MET H H 8.395 0.02 1 20 4 4 MET HA H 4.409 0.02 1 21 4 4 MET HB2 H 1.818 0.02 2 22 4 4 MET HB3 H 1.911 0.02 2 23 4 4 MET HG2 H 2.487 0.02 2 24 4 4 MET HG3 H 2.535 0.02 2 25 4 4 MET C C 176.04 0.2 1 26 4 4 MET CA C 55.71 0.2 1 27 4 4 MET CB C 33.00 0.2 1 28 4 4 MET CG C 32.27 0.2 1 29 4 4 MET N N 121.96 0.2 1 30 5 5 GLN H H 8.454 0.02 1 31 5 5 GLN HA H 4.319 0.02 1 32 5 5 GLN HB2 H 2.049 0.02 2 33 5 5 GLN HB3 H 1.928 0.02 2 34 5 5 GLN HG2 H 2.333 0.02 2 35 5 5 GLN HG3 H 2.333 0.02 2 36 5 5 GLN C C 175.77 0.2 1 37 5 5 GLN CA C 55.91 0.2 1 38 5 5 GLN CB C 29.76 0.2 1 39 5 5 GLN CG C 34.17 0.2 1 40 5 5 GLN N N 122.64 0.2 1 41 6 6 ARG H H 8.396 0.02 1 42 6 6 ARG HA H 4.318 0.02 1 43 6 6 ARG HB2 H 1.788 0.02 2 44 6 6 ARG HB3 H 1.700 0.02 2 45 6 6 ARG HG2 H 1.561 0.02 2 46 6 6 ARG HG3 H 1.561 0.02 2 47 6 6 ARG HD2 H 3.171 0.02 2 48 6 6 ARG HD3 H 3.171 0.02 2 49 6 6 ARG C C 176.12 0.2 1 50 6 6 ARG CA C 56.21 0.2 1 51 6 6 ARG CB C 30.77 0.2 1 52 6 6 ARG CG C 27.59 0.2 1 53 6 6 ARG CD C 43.66 0.2 1 54 6 6 ARG N N 123.22 0.2 1 55 7 7 VAL H H 8.176 0.02 1 56 7 7 VAL HA H 4.416 0.02 1 57 7 7 VAL HB H 2.062 0.02 1 58 7 7 VAL HG1 H 0.917 0.02 2 59 7 7 VAL HG2 H 0.963 0.02 2 60 7 7 VAL C C 174.55 0.2 1 61 7 7 VAL CA C 60.12 0.2 1 62 7 7 VAL CB C 32.88 0.2 1 63 7 7 VAL CG1 C 21.38 0.2 2 64 7 7 VAL CG2 C 21.32 0.2 2 65 7 7 VAL N N 123.17 0.2 1 66 8 8 PRO HA H 4.384 0.02 1 67 8 8 PRO HB2 H 1.871 0.02 2 68 8 8 PRO HB3 H 2.265 0.02 2 69 8 8 PRO HG2 H 1.984 0.02 2 70 8 8 PRO HG3 H 1.984 0.02 2 71 8 8 PRO HD2 H 3.643 0.02 2 72 8 8 PRO HD3 H 3.643 0.02 2 73 8 8 PRO C C 176.88 0.2 1 74 8 8 PRO CA C 63.34 0.2 1 75 8 8 PRO CB C 32.17 0.2 1 76 8 8 PRO CG C 27.72 0.2 1 77 8 8 PRO CD C 51.32 0.2 1 78 9 9 LEU H H 8.249 0.02 1 79 9 9 LEU HA H 4.278 0.02 1 80 9 9 LEU HB2 H 1.559 0.02 2 81 9 9 LEU HB3 H 1.559 0.02 2 82 9 9 LEU HG H 1.611 0.02 1 83 9 9 LEU HD1 H 0.893 0.02 2 84 9 9 LEU HD2 H 0.893 0.02 2 85 9 9 LEU C C 177.75 0.2 1 86 9 9 LEU CA C 55.65 0.2 1 87 9 9 LEU CB C 42.76 0.2 1 88 9 9 LEU CG C 27.45 0.2 1 89 9 9 LEU CD1 C 25.30 0.2 2 90 9 9 LEU CD2 C 25.30 0.2 2 91 9 9 LEU N N 122.56 0.2 1 92 10 10 SER H H 8.234 0.02 1 93 10 10 SER HA H 4.417 0.02 1 94 10 10 SER HB2 H 3.806 0.02 2 95 10 10 SER HB3 H 3.806 0.02 2 96 10 10 SER C C 174.72 0.2 1 97 10 10 SER CA C 58.52 0.2 1 98 10 10 SER CB C 64.11 0.2 1 99 10 10 SER N N 116.49 0.2 1 100 11 11 VAL H H 8.016 0.02 1 101 11 11 VAL HA H 4.107 0.02 1 102 11 11 VAL HB H 2.022 0.02 1 103 11 11 VAL HG1 H 0.899 0.02 2 104 11 11 VAL HG2 H 0.899 0.02 2 105 11 11 VAL C C 176.05 0.2 1 106 11 11 VAL CA C 62.58 0.2 1 107 11 11 VAL CB C 32.92 0.2 1 108 11 11 VAL CG1 C 21.14 0.2 2 109 11 11 VAL CG2 C 21.14 0.2 2 110 11 11 VAL N N 121.63 0.2 1 111 12 12 GLN H H 8.312 0.02 1 112 12 12 GLN HA H 4.307 0.02 1 113 12 12 GLN HB2 H 1.997 0.02 2 114 12 12 GLN HB3 H 1.994 0.02 2 115 12 12 GLN HG2 H 2.309 0.02 2 116 12 12 GLN HG3 H 2.309 0.02 2 117 12 12 GLN C C 175.86 0.2 1 118 12 12 GLN CA C 55.87 0.2 1 119 12 12 GLN CB C 29.43 0.2 1 120 12 12 GLN CG C 34.21 0.2 1 121 12 12 GLN N N 123.91 0.2 1 122 13 13 LEU H H 8.236 0.02 1 123 13 13 LEU HA H 4.318 0.02 1 124 13 13 LEU HB2 H 1.564 0.02 2 125 13 13 LEU HB3 H 1.564 0.02 2 126 13 13 LEU HG H 1.500 0.02 1 127 13 13 LEU HD1 H 0.850 0.02 2 128 13 13 LEU HD2 H 0.897 0.02 2 129 13 13 LEU C C 177.12 0.2 1 130 13 13 LEU CA C 55.25 0.2 1 131 13 13 LEU CB C 42.74 0.2 1 132 13 13 LEU CG C 27.48 0.2 1 133 13 13 LEU CD1 C 25.72 0.2 2 134 13 13 LEU CD2 C 25.23 0.2 2 135 13 13 LEU N N 124.27 0.2 1 136 14 14 LYS H H 8.237 0.02 1 137 14 14 LYS HA H 4.583 0.02 1 138 14 14 LYS HB2 H 1.812 0.02 2 139 14 14 LYS HB3 H 1.812 0.02 2 140 14 14 LYS HG2 H 1.444 0.02 2 141 14 14 LYS HG3 H 1.407 0.02 2 142 14 14 LYS HD2 H 1.693 0.02 2 143 14 14 LYS HD3 H 1.693 0.02 2 144 14 14 LYS HE2 H 2.984 0.02 2 145 14 14 LYS HE3 H 2.984 0.02 2 146 14 14 LYS C C 174.44 0.2 1 147 14 14 LYS CA C 54.27 0.2 1 148 14 14 LYS CB C 32.66 0.2 1 149 14 14 LYS CG C 24.89 0.2 1 150 14 14 LYS CD C 29.59 0.2 1 151 14 14 LYS CE C 42.52 0.2 1 152 14 14 LYS N N 123.42 0.2 1 153 15 15 PRO HA H 4.373 0.02 1 154 15 15 PRO HB2 H 2.047 0.02 2 155 15 15 PRO HB3 H 2.575 0.02 2 156 15 15 PRO HG2 H 1.983 0.02 2 157 15 15 PRO HG3 H 1.983 0.02 2 158 15 15 PRO HD2 H 3.772 0.02 2 159 15 15 PRO HD3 H 3.630 0.02 2 160 15 15 PRO C C 176.35 0.2 1 161 15 15 PRO CA C 63.38 0.2 1 162 15 15 PRO CB C 32.23 0.2 1 163 15 15 PRO CG C 27.64 0.2 1 164 15 15 PRO CD C 51.04 0.2 1 165 16 16 GLU H H 8.439 0.02 1 166 16 16 GLU HA H 4.319 0.02 1 167 16 16 GLU HB2 H 2.019 0.02 2 168 16 16 GLU HB3 H 1.909 0.02 2 169 16 16 GLU HG2 H 2.357 0.02 2 170 16 16 GLU HG3 H 2.357 0.02 2 171 16 16 GLU C C 176.35 0.2 1 172 16 16 GLU CA C 56.30 0.2 1 173 16 16 GLU CB C 29.57 0.2 1 174 16 16 GLU CG C 34.65 0.2 1 175 16 16 GLU N N 121.32 0.2 1 176 17 17 VAL H H 8.159 0.02 1 177 17 17 VAL HA H 4.129 0.02 1 178 17 17 VAL HB H 2.025 0.02 1 179 17 17 VAL HG1 H 0.888 0.02 2 180 17 17 VAL HG2 H 0.888 0.02 2 181 17 17 VAL C C 176.07 0.2 1 182 17 17 VAL CA C 62.23 0.2 1 183 17 17 VAL CB C 32.94 0.2 1 184 17 17 VAL CG1 C 20.73 0.2 2 185 17 17 VAL CG2 C 20.73 0.2 2 186 17 17 VAL N N 121.52 0.2 1 187 18 18 SER H H 8.403 0.02 1 188 18 18 SER HA H 4.745 0.02 1 189 18 18 SER HB2 H 3.828 0.02 2 190 18 18 SER HB3 H 3.828 0.02 2 191 18 18 SER C C 173.29 0.2 1 192 18 18 SER CA C 56.42 0.2 1 193 18 18 SER CB C 63.90 0.2 1 194 18 18 SER N N 121.02 0.2 1 195 19 19 PRO HA H 4.477 0.02 1 196 19 19 PRO HB2 H 1.887 0.02 2 197 19 19 PRO HB3 H 2.278 0.02 2 198 19 19 PRO HG2 H 1.981 0.02 2 199 19 19 PRO HG3 H 1.981 0.02 2 200 19 19 PRO HD2 H 3.635 0.02 2 201 19 19 PRO HD3 H 3.765 0.02 2 202 19 19 PRO C C 177.12 0.2 1 203 19 19 PRO CA C 63.86 0.2 1 204 19 19 PRO CB C 32.20 0.2 1 205 19 19 PRO CG C 27.69 0.2 1 206 19 19 PRO CD C 51.06 0.2 1 207 20 20 THR H H 8.022 0.02 1 208 20 20 THR HA H 4.291 0.02 1 209 20 20 THR HB H 4.231 0.02 1 210 20 20 THR HG2 H 1.176 0.02 1 211 20 20 THR C C 174.44 0.2 1 212 20 20 THR CA C 62.05 0.2 1 213 20 20 THR CB C 70.22 0.2 1 214 20 20 THR CG2 C 21.95 0.2 1 215 20 20 THR N N 112.75 0.2 1 216 21 21 GLN H H 8.114 0.02 1 217 21 21 GLN HA H 4.313 0.02 1 218 21 21 GLN HB2 H 2.105 0.02 2 219 21 21 GLN HB3 H 1.924 0.02 2 220 21 21 GLN HG2 H 2.322 0.02 2 221 21 21 GLN HG3 H 2.322 0.02 2 222 21 21 GLN C C 175.00 0.2 1 223 21 21 GLN CA C 55.98 0.2 1 224 21 21 GLN CB C 30.09 0.2 1 225 21 21 GLN CG C 34.22 0.2 1 226 21 21 GLN N N 122.13 0.2 1 227 22 22 ASP H H 7.950 0.02 1 228 22 22 ASP HA H 4.874 0.02 1 229 22 22 ASP HB2 H 2.475 0.02 2 230 22 22 ASP HB3 H 2.554 0.02 2 231 22 22 ASP C C 175.87 0.2 1 232 22 22 ASP CA C 54.01 0.2 1 233 22 22 ASP CB C 40.66 0.2 1 234 22 22 ASP N N 119.52 0.2 1 235 23 23 ILE H H 9.070 0.02 1 236 23 23 ILE HA H 4.654 0.02 1 237 23 23 ILE HB H 1.472 0.02 1 238 23 23 ILE HG12 H 1.264 0.02 2 239 23 23 ILE HG2 H 0.660 0.02 1 240 23 23 ILE HD1 H 0.510 0.02 1 241 23 23 ILE C C 174.61 0.2 1 242 23 23 ILE CA C 59.31 0.2 1 243 23 23 ILE CB C 42.77 0.2 1 244 23 23 ILE CG1 C 27.38 0.2 1 245 23 23 ILE CG2 C 18.97 0.2 1 246 23 23 ILE CD1 C 14.85 0.2 1 247 23 23 ILE N N 117.91 0.2 1 248 24 24 ARG H H 8.703 0.02 1 249 24 24 ARG HA H 4.994 0.02 1 250 24 24 ARG HB2 H 1.802 0.02 2 251 24 24 ARG HB3 H 1.939 0.02 2 252 24 24 ARG HG2 H 1.517 0.02 2 253 24 24 ARG HG3 H 1.642 0.02 2 254 24 24 ARG HD2 H 3.166 0.02 2 255 24 24 ARG HD3 H 3.265 0.02 2 256 24 24 ARG C C 174.05 0.2 1 257 24 24 ARG CA C 55.29 0.2 1 258 24 24 ARG CB C 30.23 0.2 1 259 24 24 ARG CG C 27.54 0.2 1 260 24 24 ARG CD C 43.69 0.2 1 261 24 24 ARG N N 122.84 0.2 1 262 25 25 LEU H H 9.532 0.02 1 263 25 25 LEU HA H 4.724 0.02 1 264 25 25 LEU HB2 H 1.116 0.02 2 265 25 25 LEU HB3 H 1.116 0.02 2 266 25 25 LEU HG H 1.407 0.02 1 267 25 25 LEU HD1 H 0.591 0.02 2 268 25 25 LEU HD2 H 0.723 0.02 2 269 25 25 LEU C C 174.80 0.2 1 270 25 25 LEU CA C 53.66 0.2 1 271 25 25 LEU CB C 47.05 0.2 1 272 25 25 LEU CG C 26.67 0.2 1 273 25 25 LEU CD1 C 23.98 0.2 2 274 25 25 LEU CD2 C 24.24 0.2 2 275 25 25 LEU N N 130.68 0.2 1 276 26 26 TRP H H 8.827 0.02 1 277 26 26 TRP HA H 4.126 0.02 1 278 26 26 TRP HB2 H 3.158 0.02 2 279 26 26 TRP HB3 H 3.272 0.02 2 280 26 26 TRP C C 175.13 0.2 1 281 26 26 TRP CA C 56.71 0.2 1 282 26 26 TRP CB C 29.38 0.2 1 283 26 26 TRP N N 130.22 0.2 1 284 27 27 VAL H H 8.622 0.02 1 285 27 27 VAL HA H 4.539 0.02 1 286 27 27 VAL HB H 2.046 0.02 1 287 27 27 VAL HG1 H 0.857 0.02 2 288 27 27 VAL HG2 H 0.857 0.02 2 289 27 27 VAL C C 174.85 0.2 1 290 27 27 VAL CA C 60.69 0.2 1 291 27 27 VAL CB C 34.29 0.2 1 292 27 27 VAL CG1 C 21.24 0.2 2 293 27 27 VAL CG2 C 21.24 0.2 2 294 27 27 VAL N N 126.49 0.2 1 295 28 28 SER H H 7.369 0.02 1 296 28 28 SER HA H 4.383 0.02 1 297 28 28 SER HB2 H 3.161 0.02 2 298 28 28 SER HB3 H 3.375 0.02 2 299 28 28 SER C C 173.38 0.2 1 300 28 28 SER CA C 56.92 0.2 1 301 28 28 SER CB C 63.54 0.2 1 302 28 28 SER N N 121.08 0.2 1 303 29 29 VAL H H 9.101 0.02 1 304 29 29 VAL HA H 4.506 0.02 1 305 29 29 VAL HB H 1.984 0.02 1 306 29 29 VAL HG1 H 0.318 0.02 2 307 29 29 VAL HG2 H 0.513 0.02 2 308 29 29 VAL C C 175.08 0.2 1 309 29 29 VAL CA C 60.99 0.2 1 310 29 29 VAL CB C 32.18 0.2 1 311 29 29 VAL CG1 C 21.12 0.2 2 312 29 29 VAL CG2 C 21.61 0.2 2 313 29 29 VAL N N 129.87 0.2 1 314 30 30 GLU H H 8.655 0.02 1 315 30 30 GLU HA H 5.188 0.02 1 316 30 30 GLU HB2 H 1.940 0.02 2 317 30 30 GLU HB3 H 2.074 0.02 2 318 30 30 GLU HG2 H 2.546 0.02 2 319 30 30 GLU HG3 H 2.546 0.02 2 320 30 30 GLU C C 175.07 0.2 1 321 30 30 GLU CA C 54.11 0.2 1 322 30 30 GLU CB C 31.58 0.2 1 323 30 30 GLU N N 127.55 0.2 1 324 31 31 ASP H H 8.138 0.02 1 325 31 31 ASP C C 177.43 0.2 1 326 31 31 ASP CA C 52.19 0.2 1 327 31 31 ASP CB C 42.77 0.2 1 328 31 31 ASP N N 123.74 0.2 1 329 32 32 ALA H H 8.405 0.02 1 330 32 32 ALA HA H 4.185 0.02 1 331 32 32 ALA HB H 1.379 0.02 1 332 32 32 ALA C C 178.41 0.2 1 333 32 32 ALA CA C 54.32 0.2 1 334 32 32 ALA CB C 18.36 0.2 1 335 32 32 ALA N N 119.96 0.2 1 336 33 33 GLN H H 7.885 0.02 1 337 33 33 GLN HA H 4.288 0.02 1 338 33 33 GLN HB2 H 1.895 0.02 2 339 33 33 GLN HB3 H 1.739 0.02 2 340 33 33 GLN HG2 H 2.333 0.02 2 341 33 33 GLN HG3 H 2.280 0.02 2 342 33 33 GLN C C 174.93 0.2 1 343 33 33 GLN CA C 55.70 0.2 1 344 33 33 GLN CB C 28.62 0.2 1 345 33 33 GLN CG C 33.88 0.2 1 346 33 33 GLN N N 116.31 0.2 1 347 34 34 MET H H 8.107 0.02 1 348 34 34 MET HA H 4.022 0.02 1 349 34 34 MET HB2 H 2.120 0.02 2 350 34 34 MET HB3 H 2.120 0.02 2 351 34 34 MET HG2 H 2.497 0.02 2 352 34 34 MET HG3 H 2.497 0.02 2 353 34 34 MET HE H 1.999 0.02 1 354 34 34 MET C C 176.14 0.2 1 355 34 34 MET CA C 56.68 0.2 1 356 34 34 MET CB C 28.02 0.2 1 357 34 34 MET CG C 32.31 0.2 1 358 34 34 MET CE C 17.39 0.2 1 359 34 34 MET N N 112.15 0.2 1 360 35 35 HIS H H 8.407 0.02 1 361 35 35 HIS HA H 4.865 0.02 1 362 35 35 HIS HB2 H 3.210 0.02 2 363 35 35 HIS HB3 H 3.210 0.02 2 364 35 35 HIS C C 175.00 0.2 1 365 35 35 HIS CA C 55.59 0.2 1 366 35 35 HIS CB C 28.65 0.2 1 367 35 35 HIS N N 119.38 0.2 1 368 36 36 THR H H 8.346 0.02 1 369 36 36 THR HA H 5.485 0.02 1 370 36 36 THR HB H 3.874 0.02 1 371 36 36 THR HG2 H 0.990 0.02 1 372 36 36 THR C C 174.48 0.2 1 373 36 36 THR CA C 61.28 0.2 1 374 36 36 THR CB C 71.10 0.2 1 375 36 36 THR CG2 C 21.61 0.2 1 376 36 36 THR N N 118.16 0.2 1 377 37 37 VAL H H 8.590 0.02 1 378 37 37 VAL HA H 4.437 0.02 1 379 37 37 VAL HB H 1.962 0.02 1 380 37 37 VAL HG1 H 0.781 0.02 2 381 37 37 VAL HG2 H 0.781 0.02 2 382 37 37 VAL C C 173.62 0.2 1 383 37 37 VAL CA C 60.76 0.2 1 384 37 37 VAL CB C 35.72 0.2 1 385 37 37 VAL CG1 C 20.47 0.2 2 386 37 37 VAL CG2 C 20.47 0.2 2 387 37 37 VAL N N 122.33 0.2 1 388 38 38 THR H H 8.086 0.02 1 389 38 38 THR HA H 5.103 0.02 1 390 38 38 THR HB H 3.449 0.02 1 391 38 38 THR HG2 H 0.712 0.02 1 392 38 38 THR C C 174.45 0.2 1 393 38 38 THR CA C 60.63 0.2 1 394 38 38 THR CB C 70.89 0.2 1 395 38 38 THR CG2 C 21.26 0.2 1 396 38 38 THR N N 117.57 0.2 1 397 39 39 ILE H H 8.737 0.02 1 398 39 39 ILE HA H 4.578 0.02 1 399 39 39 ILE HB H 1.726 0.02 1 400 39 39 ILE HG12 H 0.907 0.02 2 401 39 39 ILE HG13 H 0.971 0.02 2 402 39 39 ILE HG2 H 0.489 0.02 1 403 39 39 ILE HD1 H 0.605 0.02 1 404 39 39 ILE C C 173.15 0.2 1 405 39 39 ILE CA C 59.87 0.2 1 406 39 39 ILE CB C 42.77 0.2 1 407 39 39 ILE CG1 C 27.67 0.2 1 408 39 39 ILE CG2 C 17.96 0.2 1 409 39 39 ILE CD1 C 13.70 0.2 1 410 39 39 ILE N N 120.21 0.2 1 411 40 40 TRP H H 8.147 0.02 1 412 40 40 TRP HA H 5.560 0.02 1 413 40 40 TRP HB2 H 2.813 0.02 2 414 40 40 TRP HB3 H 2.901 0.02 2 415 40 40 TRP C C 176.48 0.2 1 416 40 40 TRP CA C 55.93 0.2 1 417 40 40 TRP CB C 31.52 0.2 1 418 40 40 TRP N N 119.21 0.2 1 419 41 41 LEU H H 9.168 0.02 1 420 41 41 LEU HA H 4.917 0.02 1 421 41 41 LEU HB2 H 1.464 0.02 2 422 41 41 LEU HB3 H 1.464 0.02 2 423 41 41 LEU HG H 1.557 0.02 1 424 41 41 LEU HD1 H 0.916 0.02 2 425 41 41 LEU HD2 H 1.053 0.02 2 426 41 41 LEU C C 176.13 0.2 1 427 41 41 LEU CA C 53.17 0.2 1 428 41 41 LEU CB C 46.99 0.2 1 429 41 41 LEU CG C 27.42 0.2 1 430 41 41 LEU CD1 C 24.50 0.2 2 431 41 41 LEU CD2 C 24.50 0.2 2 432 41 41 LEU N N 121.79 0.2 1 433 42 42 THR H H 8.709 0.02 1 434 42 42 THR HA H 5.055 0.02 1 435 42 42 THR HB H 4.021 0.02 1 436 42 42 THR HG2 H 1.101 0.02 1 437 42 42 THR C C 174.68 0.2 1 438 42 42 THR CA C 63.06 0.2 1 439 42 42 THR CB C 68.80 0.2 1 440 42 42 THR CG2 C 22.57 0.2 1 441 42 42 THR N N 120.39 0.2 1 442 43 43 VAL H H 9.091 0.02 1 443 43 43 VAL HA H 4.736 0.02 1 444 43 43 VAL HB H 2.197 0.02 1 445 43 43 VAL HG1 H 0.657 0.02 2 446 43 43 VAL HG2 H 0.518 0.02 2 447 43 43 VAL C C 173.70 0.2 1 448 43 43 VAL CA C 58.39 0.2 1 449 43 43 VAL CB C 35.89 0.2 1 450 43 43 VAL CG1 C 22.74 0.2 2 451 43 43 VAL CG2 C 21.60 0.2 2 452 43 43 VAL N N 118.02 0.2 1 453 44 44 ARG H H 7.220 0.02 1 454 44 44 ARG HA H 5.143 0.02 1 455 44 44 ARG HB2 H 2.068 0.02 2 456 44 44 ARG HB3 H 2.068 0.02 2 457 44 44 ARG HG2 H 1.599 0.02 2 458 44 44 ARG HG3 H 1.670 0.02 2 459 44 44 ARG HD2 H 3.195 0.02 2 460 44 44 ARG HD3 H 3.195 0.02 2 461 44 44 ARG C C 176.08 0.2 1 462 44 44 ARG CA C 53.24 0.2 1 463 44 44 ARG CB C 32.92 0.2 1 464 44 44 ARG CG C 27.56 0.2 1 465 44 44 ARG CD C 43.76 0.2 1 466 44 44 ARG N N 117.02 0.2 1 467 45 45 PRO HA H 4.069 0.02 1 468 45 45 PRO HB2 H 2.063 0.02 2 469 45 45 PRO HB3 H 2.459 0.02 2 470 45 45 PRO HG2 H 2.097 0.02 2 471 45 45 PRO HG3 H 2.187 0.02 2 472 45 45 PRO HD2 H 3.874 0.02 2 473 45 45 PRO HD3 H 3.874 0.02 2 474 45 45 PRO C C 175.67 0.2 1 475 45 45 PRO CA C 65.58 0.2 1 476 45 45 PRO CB C 31.81 0.2 1 477 45 45 PRO CG C 28.68 0.2 1 478 45 45 PRO CD C 51.35 0.2 1 479 46 46 ASP H H 8.106 0.02 1 480 46 46 ASP HA H 4.590 0.02 1 481 46 46 ASP HB2 H 2.650 0.02 2 482 46 46 ASP HB3 H 2.846 0.02 2 483 46 46 ASP C C 175.69 0.2 1 484 46 46 ASP CA C 53.71 0.2 1 485 46 46 ASP CB C 39.21 0.2 1 486 46 46 ASP N N 111.94 0.2 1 487 47 47 MET H H 7.619 0.02 1 488 47 47 MET HA H 4.343 0.02 1 489 47 47 MET HB2 H 1.946 0.02 2 490 47 47 MET HB3 H 2.042 0.02 2 491 47 47 MET HG2 H 2.340 0.02 2 492 47 47 MET HG3 H 2.340 0.02 2 493 47 47 MET HE H 1.641 0.02 1 494 47 47 MET C C 175.78 0.2 1 495 47 47 MET CA C 56.65 0.2 1 496 47 47 MET CB C 34.78 0.2 1 497 47 47 MET CG C 31.20 0.2 1 498 47 47 MET CE C 17.43 0.2 1 499 47 47 MET N N 119.94 0.2 1 500 48 48 THR H H 8.186 0.02 1 501 48 48 THR HA H 4.828 0.02 1 502 48 48 THR HB H 3.881 0.02 1 503 48 48 THR HG2 H 0.990 0.02 1 504 48 48 THR C C 176.78 0.2 1 505 48 48 THR CA C 60.26 0.2 1 506 48 48 THR CB C 71.55 0.2 1 507 48 48 THR CG2 C 21.71 0.2 1 508 48 48 THR N N 110.87 0.2 1 509 49 49 VAL H H 8.405 0.02 1 510 49 49 VAL HA H 3.210 0.02 1 511 49 49 VAL HB H 2.335 0.02 1 512 49 49 VAL HG1 H 0.597 0.02 2 513 49 49 VAL HG2 H 0.597 0.02 2 514 49 49 VAL C C 178.13 0.2 1 515 49 49 VAL CA C 66.50 0.2 1 516 49 49 VAL CB C 30.79 0.2 1 517 49 49 VAL CG1 C 20.69 0.2 2 518 49 49 VAL CG2 C 20.69 0.2 2 519 49 49 VAL N N 123.32 0.2 1 520 50 50 ALA H H 9.042 0.02 1 521 50 50 ALA HA H 3.871 0.02 1 522 50 50 ALA HB H 1.392 0.02 1 523 50 50 ALA C C 180.30 0.2 1 524 50 50 ALA CA C 56.18 0.2 1 525 50 50 ALA CB C 18.18 0.2 1 526 50 50 ALA N N 123.10 0.2 1 527 51 51 SER H H 7.808 0.02 1 528 51 51 SER HA H 4.304 0.02 1 529 51 51 SER HB2 H 3.943 0.02 2 530 51 51 SER HB3 H 3.943 0.02 2 531 51 51 SER C C 177.32 0.2 1 532 51 51 SER CA C 62.40 0.2 1 533 51 51 SER CB C 63.18 0.2 1 534 51 51 SER N N 115.07 0.2 1 535 52 52 LEU H H 8.155 0.02 1 536 52 52 LEU HA H 3.939 0.02 1 537 52 52 LEU HB2 H 1.765 0.02 2 538 52 52 LEU HB3 H 1.765 0.02 2 539 52 52 LEU HG H 1.009 0.02 1 540 52 52 LEU HD1 H -0.719 0.02 2 541 52 52 LEU HD2 H 0.499 0.02 2 542 52 52 LEU C C 178.02 0.2 1 543 52 52 LEU CA C 58.72 0.2 1 544 52 52 LEU CB C 42.05 0.2 1 545 52 52 LEU CG C 26.45 0.2 1 546 52 52 LEU CD1 C 24.50 0.2 2 547 52 52 LEU CD2 C 23.86 0.2 2 548 52 52 LEU N N 127.78 0.2 1 549 53 53 LYS H H 8.783 0.02 1 550 53 53 LYS HA H 5.047 0.02 1 551 53 53 LYS HB2 H 1.783 0.02 2 552 53 53 LYS HB3 H 1.783 0.02 2 553 53 53 LYS HG2 H 1.298 0.02 2 554 53 53 LYS HG3 H 1.298 0.02 2 555 53 53 LYS HD2 H 1.553 0.02 2 556 53 53 LYS HD3 H 1.553 0.02 2 557 53 53 LYS HE2 H 2.970 0.02 2 558 53 53 LYS HE3 H 2.970 0.02 2 559 53 53 LYS C C 181.40 0.2 1 560 53 53 LYS CA C 59.18 0.2 1 561 53 53 LYS CB C 34.33 0.2 1 562 53 53 LYS CG C 24.89 0.2 1 563 53 53 LYS CE C 42.57 0.2 1 564 53 53 LYS N N 117.96 0.2 1 565 54 54 ASP H H 7.810 0.02 1 566 54 54 ASP HA H 4.626 0.02 1 567 54 54 ASP HB2 H 2.908 0.02 2 568 54 54 ASP HB3 H 2.908 0.02 2 569 54 54 ASP C C 177.65 0.2 1 570 54 54 ASP CA C 57.39 0.2 1 571 54 54 ASP CB C 39.63 0.2 1 572 54 54 ASP N N 119.20 0.2 1 573 55 55 MET H H 8.205 0.02 1 574 55 55 MET HA H 4.093 0.02 1 575 55 55 MET HB2 H 2.116 0.02 2 576 55 55 MET HB3 H 2.116 0.02 2 577 55 55 MET HG2 H 2.343 0.02 2 578 55 55 MET HG3 H 2.411 0.02 2 579 55 55 MET HE H 1.892 0.02 1 580 55 55 MET C C 178.43 0.2 1 581 55 55 MET CA C 59.82 0.2 1 582 55 55 MET CB C 33.61 0.2 1 583 55 55 MET CG C 32.45 0.2 1 584 55 55 MET CE C 17.32 0.2 1 585 55 55 MET N N 121.94 0.2 1 586 56 56 VAL H H 8.604 0.02 1 587 56 56 VAL HA H 3.908 0.02 1 588 56 56 VAL HB H 2.677 0.02 1 589 56 56 VAL HG1 H 1.250 0.02 2 590 56 56 VAL HG2 H 1.425 0.02 2 591 56 56 VAL C C 178.63 0.2 1 592 56 56 VAL CA C 67.72 0.2 1 593 56 56 VAL CB C 31.51 0.2 1 594 56 56 VAL CG1 C 22.17 0.2 2 595 56 56 VAL CG2 C 22.16 0.2 2 596 56 56 VAL N N 118.39 0.2 1 597 57 57 PHE H H 8.686 0.02 1 598 57 57 PHE HA H 4.536 0.02 1 599 57 57 PHE HB2 H 3.411 0.02 2 600 57 57 PHE HB3 H 3.411 0.02 2 601 57 57 PHE C C 178.54 0.2 1 602 57 57 PHE CA C 60.48 0.2 1 603 57 57 PHE CB C 38.84 0.2 1 604 57 57 PHE N N 124.12 0.2 1 605 58 58 LEU H H 8.289 0.02 1 606 58 58 LEU HA H 3.587 0.02 1 607 58 58 LEU HB2 H 1.504 0.02 2 608 58 58 LEU HB3 H 1.752 0.02 2 609 58 58 LEU HG H 1.489 0.02 1 610 58 58 LEU HD1 H 0.838 0.02 2 611 58 58 LEU HD2 H 0.788 0.02 2 612 58 58 LEU C C 179.16 0.2 1 613 58 58 LEU CA C 58.02 0.2 1 614 58 58 LEU CB C 42.00 0.2 1 615 58 58 LEU CG C 27.44 0.2 1 616 58 58 LEU CD1 C 23.84 0.2 2 617 58 58 LEU CD2 C 23.91 0.2 2 618 58 58 LEU N N 121.31 0.2 1 619 59 59 ASP H H 8.185 0.02 1 620 59 59 ASP HA H 4.613 0.02 1 621 59 59 ASP HB2 H 2.702 0.02 2 622 59 59 ASP HB3 H 2.842 0.02 2 623 59 59 ASP C C 176.35 0.2 1 624 59 59 ASP CA C 55.31 0.2 1 625 59 59 ASP CB C 39.01 0.2 1 626 59 59 ASP N N 114.86 0.2 1 627 60 60 TYR H H 8.241 0.02 1 628 60 60 TYR HA H 4.310 0.02 1 629 60 60 TYR HB2 H 3.143 0.02 2 630 60 60 TYR HB3 H 3.209 0.02 2 631 60 60 TYR C C 176.03 0.2 1 632 60 60 TYR CA C 58.97 0.2 1 633 60 60 TYR CB C 40.64 0.2 1 634 60 60 TYR N N 114.36 0.2 1 635 61 61 GLY H H 7.844 0.02 1 636 61 61 GLY HA2 H 3.619 0.02 2 637 61 61 GLY HA3 H 4.002 0.02 2 638 61 61 GLY C C 174.55 0.2 1 639 61 61 GLY CA C 45.78 0.2 1 640 61 61 GLY N N 107.24 0.2 1 641 62 62 PHE H H 6.198 0.02 1 642 62 62 PHE C C 176.99 0.2 1 643 62 62 PHE CA C 52.66 0.2 1 644 62 62 PHE N N 118.73 0.2 1 645 64 64 PRO HA H 4.129 0.02 1 646 64 64 PRO HB2 H 2.328 0.02 2 647 64 64 PRO HB3 H 2.328 0.02 2 648 64 64 PRO HG2 H 1.982 0.02 2 649 64 64 PRO HG3 H 1.982 0.02 2 650 64 64 PRO HD2 H 3.326 0.02 2 651 64 64 PRO HD3 H 3.326 0.02 2 652 64 64 PRO C C 178.77 0.2 1 653 64 64 PRO CA C 67.22 0.2 1 654 64 64 PRO CB C 32.85 0.2 1 655 64 64 PRO CG C 27.72 0.2 1 656 64 64 PRO CD C 50.76 0.2 1 657 65 65 VAL H H 7.784 0.02 1 658 65 65 VAL HA H 4.065 0.02 1 659 65 65 VAL HB H 2.214 0.02 1 660 65 65 VAL HG1 H 0.907 0.02 2 661 65 65 VAL HG2 H 0.979 0.02 2 662 65 65 VAL C C 176.06 0.2 1 663 65 65 VAL CA C 64.10 0.2 1 664 65 65 VAL CB C 31.56 0.2 1 665 65 65 VAL CG1 C 20.70 0.2 2 666 65 65 VAL CG2 C 21.49 0.2 2 667 65 65 VAL N N 111.33 0.2 1 668 66 66 LEU H H 7.584 0.02 1 669 66 66 LEU HA H 4.509 0.02 1 670 66 66 LEU HB2 H 1.648 0.02 2 671 66 66 LEU HB3 H 1.648 0.02 2 672 66 66 LEU HG H 1.578 0.02 1 673 66 66 LEU HD1 H 0.688 0.02 2 674 66 66 LEU HD2 H 0.946 0.02 2 675 66 66 LEU C C 175.66 0.2 1 676 66 66 LEU CA C 54.00 0.2 1 677 66 66 LEU CB C 41.39 0.2 1 678 66 66 LEU CG C 27.50 0.2 1 679 66 66 LEU CD1 C 23.68 0.2 2 680 66 66 LEU CD2 C 25.71 0.2 2 681 66 66 LEU N N 117.72 0.2 1 682 67 67 GLN H H 7.346 0.02 1 683 67 67 GLN HA H 4.137 0.02 1 684 67 67 GLN HB2 H 1.682 0.02 2 685 67 67 GLN HB3 H 1.934 0.02 2 686 67 67 GLN HG2 H 2.337 0.02 2 687 67 67 GLN HG3 H 2.337 0.02 2 688 67 67 GLN C C 175.53 0.2 1 689 67 67 GLN CA C 56.22 0.2 1 690 67 67 GLN CB C 31.43 0.2 1 691 67 67 GLN CG C 34.32 0.2 1 692 67 67 GLN N N 116.86 0.2 1 693 68 68 GLN H H 8.594 0.02 1 694 68 68 GLN HA H 4.685 0.02 1 695 68 68 GLN HB2 H 2.105 0.02 2 696 68 68 GLN HB3 H 2.105 0.02 2 697 68 68 GLN HG2 H 2.336 0.02 2 698 68 68 GLN HG3 H 2.336 0.02 2 699 68 68 GLN C C 173.79 0.2 1 700 68 68 GLN CA C 55.10 0.2 1 701 68 68 GLN CB C 31.29 0.2 1 702 68 68 GLN CG C 34.10 0.2 1 703 68 68 GLN N N 124.05 0.2 1 704 69 69 TRP H H 9.356 0.02 1 705 69 69 TRP HA H 5.157 0.02 1 706 69 69 TRP HB2 H 2.857 0.02 2 707 69 69 TRP HB3 H 2.992 0.02 2 708 69 69 TRP C C 175.90 0.2 1 709 69 69 TRP CA C 57.29 0.2 1 710 69 69 TRP CB C 31.04 0.2 1 711 69 69 TRP N N 127.07 0.2 1 712 70 70 VAL H H 9.645 0.02 1 713 70 70 VAL HA H 4.596 0.02 1 714 70 70 VAL HB H 2.008 0.02 1 715 70 70 VAL HG1 H 0.773 0.02 2 716 70 70 VAL HG2 H 0.906 0.02 2 717 70 70 VAL C C 175.91 0.2 1 718 70 70 VAL CA C 62.81 0.2 1 719 70 70 VAL CB C 33.71 0.2 1 720 70 70 VAL CG1 C 20.63 0.2 2 721 70 70 VAL CG2 C 20.89 0.2 2 722 70 70 VAL N N 124.88 0.2 1 723 71 71 ILE H H 8.351 0.02 1 724 71 71 ILE HA H 4.735 0.02 1 725 71 71 ILE HB H 1.656 0.02 1 726 71 71 ILE HG12 H 1.221 0.02 2 727 71 71 ILE HG13 H 1.294 0.02 2 728 71 71 ILE HG2 H 0.841 0.02 1 729 71 71 ILE HD1 H 0.922 0.02 1 730 71 71 ILE C C 177.22 0.2 1 731 71 71 ILE CA C 60.86 0.2 1 732 71 71 ILE CB C 41.64 0.2 1 733 71 71 ILE CG1 C 27.43 0.2 1 734 71 71 ILE CG2 C 18.85 0.2 1 735 71 71 ILE CD1 C 13.49 0.2 1 736 71 71 ILE N N 123.98 0.2 1 737 72 72 GLY H H 10.214 0.02 1 738 72 72 GLY HA2 H 4.049 0.02 2 739 72 72 GLY HA3 H 4.164 0.02 2 740 72 72 GLY C C 175.92 0.2 1 741 72 72 GLY CA C 48.41 0.2 1 742 72 72 GLY N N 124.21 0.2 1 743 73 73 GLN H H 9.095 0.02 1 744 73 73 GLN HA H 3.654 0.02 1 745 73 73 GLN HB2 H 1.582 0.02 2 746 73 73 GLN HB3 H 2.306 0.02 2 747 73 73 GLN HG2 H 2.347 0.02 2 748 73 73 GLN HG3 H 2.347 0.02 2 749 73 73 GLN C C 174.52 0.2 1 750 73 73 GLN CA C 57.52 0.2 1 751 73 73 GLN CB C 27.32 0.2 1 752 73 73 GLN CG C 34.14 0.2 1 753 73 73 GLN N N 110.17 0.2 1 754 74 74 ARG H H 7.315 0.02 1 755 74 74 ARG HA H 4.794 0.02 1 756 74 74 ARG HB2 H 1.723 0.02 2 757 74 74 ARG HB3 H 1.723 0.02 2 758 74 74 ARG HG2 H 1.595 0.02 2 759 74 74 ARG HG3 H 1.595 0.02 2 760 74 74 ARG HD2 H 3.286 0.02 2 761 74 74 ARG HD3 H 3.286 0.02 2 762 74 74 ARG C C 175.45 0.2 1 763 74 74 ARG CA C 54.77 0.2 1 764 74 74 ARG CB C 34.40 0.2 1 765 74 74 ARG CG C 27.49 0.2 1 766 74 74 ARG CD C 43.69 0.2 1 767 74 74 ARG N N 116.81 0.2 1 768 75 75 LEU H H 8.638 0.02 1 769 75 75 LEU HA H 4.529 0.02 1 770 75 75 LEU HB2 H 1.552 0.02 2 771 75 75 LEU HB3 H 1.552 0.02 2 772 75 75 LEU HG H 1.644 0.02 1 773 75 75 LEU HD1 H 0.782 0.02 2 774 75 75 LEU HD2 H 0.841 0.02 2 775 75 75 LEU C C 176.44 0.2 1 776 75 75 LEU CA C 56.46 0.2 1 777 75 75 LEU CB C 42.29 0.2 1 778 75 75 LEU CG C 27.49 0.2 1 779 75 75 LEU CD1 C 24.00 0.2 2 780 75 75 LEU CD2 C 25.55 0.2 2 781 75 75 LEU N N 125.67 0.2 1 782 76 76 ALA H H 8.852 0.02 1 783 76 76 ALA HA H 4.717 0.02 1 784 76 76 ALA HB H 0.926 0.02 1 785 76 76 ALA C C 175.81 0.2 1 786 76 76 ALA CA C 50.73 0.2 1 787 76 76 ALA CB C 21.00 0.2 1 788 76 76 ALA N N 130.06 0.2 1 789 77 77 ARG H H 8.518 0.02 1 790 77 77 ARG HA H 4.570 0.02 1 791 77 77 ARG HB2 H 1.811 0.02 2 792 77 77 ARG HB3 H 1.684 0.02 2 793 77 77 ARG HG2 H 1.567 0.02 2 794 77 77 ARG HG3 H 1.455 0.02 2 795 77 77 ARG HD2 H 3.154 0.02 2 796 77 77 ARG HD3 H 3.154 0.02 2 797 77 77 ARG C C 177.31 0.2 1 798 77 77 ARG CA C 55.22 0.2 1 799 77 77 ARG CB C 32.29 0.2 1 800 77 77 ARG CG C 27.46 0.2 1 801 77 77 ARG CD C 43.55 0.2 1 802 77 77 ARG N N 123.14 0.2 1 803 78 78 ASP H H 8.320 0.02 1 804 78 78 ASP HA H 4.159 0.02 1 805 78 78 ASP HB2 H 2.619 0.02 2 806 78 78 ASP HB3 H 2.619 0.02 2 807 78 78 ASP C C 176.94 0.2 1 808 78 78 ASP CA C 58.26 0.2 1 809 78 78 ASP CB C 41.38 0.2 1 810 78 78 ASP N N 118.63 0.2 1 811 79 79 GLN H H 8.537 0.02 1 812 79 79 GLN HA H 4.412 0.02 1 813 79 79 GLN HB2 H 2.043 0.02 2 814 79 79 GLN HB3 H 2.043 0.02 2 815 79 79 GLN HG2 H 2.346 0.02 2 816 79 79 GLN HG3 H 2.346 0.02 2 817 79 79 GLN C C 174.52 0.2 1 818 79 79 GLN CA C 56.61 0.2 1 819 79 79 GLN CB C 28.09 0.2 1 820 79 79 GLN CG C 34.25 0.2 1 821 79 79 GLN N N 113.43 0.2 1 822 80 80 GLU H H 7.870 0.02 1 823 80 80 GLU HA H 4.459 0.02 1 824 80 80 GLU HB2 H 1.959 0.02 2 825 80 80 GLU HB3 H 2.041 0.02 2 826 80 80 GLU HG2 H 2.490 0.02 2 827 80 80 GLU HG3 H 2.490 0.02 2 828 80 80 GLU C C 176.63 0.2 1 829 80 80 GLU CA C 55.65 0.2 1 830 80 80 GLU CB C 30.50 0.2 1 831 80 80 GLU N N 119.48 0.2 1 832 81 81 THR H H 8.297 0.02 1 833 81 81 THR HA H 5.036 0.02 1 834 81 81 THR HB H 4.740 0.02 1 835 81 81 THR HG2 H 1.291 0.02 1 836 81 81 THR C C 178.83 0.2 1 837 81 81 THR CA C 60.14 0.2 1 838 81 81 THR CB C 72.37 0.2 1 839 81 81 THR CG2 C 22.11 0.2 1 840 81 81 THR N N 107.70 0.2 1 841 82 82 LEU H H 8.637 0.02 1 842 82 82 LEU HA H 3.881 0.02 1 843 82 82 LEU HB2 H 1.210 0.02 2 844 82 82 LEU HB3 H 2.079 0.02 2 845 82 82 LEU HG H 1.754 0.02 1 846 82 82 LEU HD1 H 0.494 0.02 2 847 82 82 LEU HD2 H 0.742 0.02 2 848 82 82 LEU C C 181.40 0.2 1 849 82 82 LEU CA C 59.35 0.2 1 850 82 82 LEU CB C 39.26 0.2 1 851 82 82 LEU CG C 27.30 0.2 1 852 82 82 LEU CD1 C 23.22 0.2 2 853 82 82 LEU CD2 C 25.86 0.2 2 854 82 82 LEU N N 122.12 0.2 1 855 83 83 HIS H H 9.369 0.02 1 856 83 83 HIS HA H 4.587 0.02 1 857 83 83 HIS HB2 H 3.103 0.02 2 858 83 83 HIS HB3 H 3.244 0.02 2 859 83 83 HIS C C 178.63 0.2 1 860 83 83 HIS CA C 59.25 0.2 1 861 83 83 HIS CB C 28.64 0.2 1 862 83 83 HIS N N 120.06 0.2 1 863 84 84 SER H H 8.228 0.02 1 864 84 84 SER HA H 4.203 0.02 1 865 84 84 SER HB2 H 3.954 0.02 2 866 84 84 SER HB3 H 3.954 0.02 2 867 84 84 SER C C 175.10 0.2 1 868 84 84 SER CA C 61.70 0.2 1 869 84 84 SER CB C 63.91 0.2 1 870 84 84 SER N N 117.35 0.2 1 871 85 85 HIS H H 7.584 0.02 1 872 85 85 HIS HA H 4.762 0.02 1 873 85 85 HIS HB2 H 3.160 0.02 2 874 85 85 HIS HB3 H 3.280 0.02 2 875 85 85 HIS C C 173.72 0.2 1 876 85 85 HIS CA C 55.92 0.2 1 877 85 85 HIS CB C 29.39 0.2 1 878 85 85 HIS N N 118.34 0.2 1 879 86 86 GLY H H 7.777 0.02 1 880 86 86 GLY HA2 H 3.611 0.02 2 881 86 86 GLY HA3 H 4.166 0.02 2 882 86 86 GLY C C 173.95 0.2 1 883 86 86 GLY CA C 45.98 0.2 1 884 86 86 GLY N N 106.08 0.2 1 885 87 87 VAL H H 7.137 0.02 1 886 87 87 VAL HA H 3.950 0.02 1 887 87 87 VAL HB H 1.617 0.02 1 888 87 87 VAL HG1 H 0.797 0.02 2 889 87 87 VAL HG2 H 0.797 0.02 2 890 87 87 VAL C C 175.33 0.2 1 891 87 87 VAL CA C 64.06 0.2 1 892 87 87 VAL CB C 30.78 0.2 1 893 87 87 VAL CG1 C 21.16 0.2 2 894 87 87 VAL CG2 C 21.16 0.2 2 895 87 87 VAL N N 120.46 0.2 1 896 88 88 ARG H H 9.520 0.02 1 897 88 88 ARG HA H 4.524 0.02 1 898 88 88 ARG HB2 H 1.669 0.02 2 899 88 88 ARG HB3 H 1.751 0.02 2 900 88 88 ARG HG2 H 1.407 0.02 2 901 88 88 ARG HG3 H 1.594 0.02 2 902 88 88 ARG HD2 H 3.153 0.02 2 903 88 88 ARG HD3 H 3.153 0.02 2 904 88 88 ARG C C 174.79 0.2 1 905 88 88 ARG CA C 56.68 0.2 1 906 88 88 ARG CB C 34.38 0.2 1 907 88 88 ARG CG C 27.63 0.2 1 908 88 88 ARG N N 124.69 0.2 1 909 89 89 GLN H H 8.820 0.02 1 910 89 89 GLN HA H 4.794 0.02 1 911 89 89 GLN HB2 H 1.954 0.02 2 912 89 89 GLN HB3 H 2.057 0.02 2 913 89 89 GLN HG2 H 2.482 0.02 2 914 89 89 GLN HG3 H 2.482 0.02 2 915 89 89 GLN C C 173.74 0.2 1 916 89 89 GLN CA C 54.61 0.2 1 917 89 89 GLN CB C 32.25 0.2 1 918 89 89 GLN CG C 34.31 0.2 1 919 89 89 GLN N N 120.04 0.2 1 920 90 90 ASN H H 8.741 0.02 1 921 90 90 ASN HA H 4.817 0.02 1 922 90 90 ASN HB2 H 2.829 0.02 2 923 90 90 ASN HB3 H 2.829 0.02 2 924 90 90 ASN C C 177.44 0.2 1 925 90 90 ASN CA C 54.75 0.2 1 926 90 90 ASN CB C 38.67 0.2 1 927 90 90 ASN N N 118.26 0.2 1 928 91 91 GLY H H 9.633 0.02 1 929 91 91 GLY HA2 H 3.573 0.02 2 930 91 91 GLY HA3 H 3.751 0.02 2 931 91 91 GLY C C 174.83 0.2 1 932 91 91 GLY CA C 45.50 0.2 1 933 91 91 GLY N N 111.12 0.2 1 934 92 92 ASP H H 7.937 0.02 1 935 92 92 ASP HA H 4.877 0.02 1 936 92 92 ASP HB2 H 2.761 0.02 2 937 92 92 ASP HB3 H 2.965 0.02 2 938 92 92 ASP C C 174.25 0.2 1 939 92 92 ASP CA C 56.02 0.2 1 940 92 92 ASP CB C 41.38 0.2 1 941 92 92 ASP N N 121.72 0.2 1 942 93 93 SER H H 8.245 0.02 1 943 93 93 SER HA H 5.854 0.02 1 944 93 93 SER HB2 H 3.751 0.02 2 945 93 93 SER HB3 H 3.751 0.02 2 946 93 93 SER C C 174.45 0.2 1 947 93 93 SER CA C 57.75 0.2 1 948 93 93 SER CB C 67.97 0.2 1 949 93 93 SER N N 112.59 0.2 1 950 94 94 ALA H H 8.634 0.02 1 951 94 94 ALA HA H 4.786 0.02 1 952 94 94 ALA HB H 1.589 0.02 1 953 94 94 ALA C C 173.97 0.2 1 954 94 94 ALA CA C 51.39 0.2 1 955 94 94 ALA CB C 24.44 0.2 1 956 94 94 ALA N N 121.54 0.2 1 957 95 95 TYR H H 8.554 0.02 1 958 95 95 TYR HA H 4.325 0.02 1 959 95 95 TYR HB2 H 3.170 0.02 2 960 95 95 TYR HB3 H 3.170 0.02 2 961 95 95 TYR C C 172.56 0.2 1 962 95 95 TYR CA C 57.78 0.2 1 963 95 95 TYR CB C 41.09 0.2 1 964 95 95 TYR N N 118.94 0.2 1 965 96 96 LEU H H 8.203 0.02 1 966 96 96 LEU HA H 4.031 0.02 1 967 96 96 LEU HB2 H 0.732 0.02 2 968 96 96 LEU HB3 H -0.723 0.02 2 969 96 96 LEU HG H 0.566 0.02 1 970 96 96 LEU HD1 H -0.389 0.02 2 971 96 96 LEU HD2 H 0.292 0.02 2 972 96 96 LEU C C 173.39 0.2 1 973 96 96 LEU CA C 52.67 0.2 1 974 96 96 LEU CB C 42.73 0.2 1 975 96 96 LEU CG C 26.78 0.2 1 976 96 96 LEU CD1 C 21.44 0.2 2 977 96 96 LEU CD2 C 25.52 0.2 2 978 96 96 LEU N N 124.88 0.2 1 979 97 97 TYR H H 9.026 0.02 1 980 97 97 TYR HA H 4.510 0.02 1 981 97 97 TYR HB2 H 2.483 0.02 2 982 97 97 TYR HB3 H 2.544 0.02 2 983 97 97 TYR C C 174.62 0.2 1 984 97 97 TYR CA C 56.62 0.2 1 985 97 97 TYR CB C 39.29 0.2 1 986 97 97 TYR N N 126.69 0.2 1 987 98 98 LEU H H 8.056 0.02 1 988 98 98 LEU HA H 4.905 0.02 1 989 98 98 LEU HB2 H 1.524 0.02 2 990 98 98 LEU HB3 H 1.524 0.02 2 991 98 98 LEU HG H 1.390 0.02 1 992 98 98 LEU HD1 H -0.080 0.02 2 993 98 98 LEU HD2 H 0.916 0.02 2 994 98 98 LEU C C 177.366 0.2 1 995 98 98 LEU CA C 52.64 0.2 1 996 98 98 LEU CB C 42.20 0.2 1 997 98 98 LEU CG C 26.73 0.2 1 998 98 98 LEU CD1 C 24.93 0.2 2 999 98 98 LEU CD2 C 24.63 0.2 2 1000 98 98 LEU N N 122.20 0.2 1 1001 99 99 LEU H H 8.825 0.02 1 1002 99 99 LEU HA H 4.297 0.02 1 1003 99 99 LEU HB2 H 1.482 0.02 2 1004 99 99 LEU HB3 H 1.382 0.02 2 1005 99 99 LEU HG H 1.595 0.02 1 1006 99 99 LEU HD1 H 0.900 0.02 2 1007 99 99 LEU HD2 H 0.843 0.02 2 1008 99 99 LEU C C 176.51 0.2 1 1009 99 99 LEU CA C 54.29 0.2 1 1010 99 99 LEU CB C 42.78 0.2 1 1011 99 99 LEU CG C 27.56 0.2 1 1012 99 99 LEU CD1 C 25.30 0.2 2 1013 99 99 LEU CD2 C 25.10 0.2 2 1014 99 99 LEU N N 125.14 0.2 1 1015 100 100 SER H H 8.192 0.02 1 1016 100 100 SER HA H 4.372 0.02 1 1017 100 100 SER HB2 H 3.802 0.02 2 1018 100 100 SER HB3 H 3.802 0.02 2 1019 100 100 SER C C 175.02 0.2 1 1020 100 100 SER CA C 58.23 0.2 1 1021 100 100 SER CB C 64.55 0.2 1 1022 100 100 SER N N 113.17 0.2 1 1023 101 101 ALA H H 8.479 0.02 1 1024 101 101 ALA HA H 4.258 0.02 1 1025 101 101 ALA HB H 1.388 0.02 1 1026 101 101 ALA C C 177.83 0.2 1 1027 101 101 ALA CA C 52.80 0.2 1 1028 101 101 ALA CB C 19.55 0.2 1 1029 101 101 ALA N N 126.39 0.2 1 1030 102 102 ARG H H 8.229 0.02 1 1031 102 102 ARG HA H 4.214 0.02 1 1032 102 102 ARG HB2 H 1.731 0.02 2 1033 102 102 ARG HB3 H 1.812 0.02 2 1034 102 102 ARG HG2 H 1.600 0.02 2 1035 102 102 ARG HG3 H 1.600 0.02 2 1036 102 102 ARG HD2 H 3.167 0.02 2 1037 102 102 ARG HD3 H 3.167 0.02 2 1038 102 102 ARG C C 176.43 0.2 1 1039 102 102 ARG CA C 56.84 0.2 1 1040 102 102 ARG CB C 30.75 0.2 1 1041 102 102 ARG CG C 27.47 0.2 1 1042 102 102 ARG CD C 43.71 0.2 1 1043 102 102 ARG N N 118.84 0.2 1 1044 103 103 ASN H H 8.333 0.02 1 1045 103 103 ASN HA H 4.746 0.02 1 1046 103 103 ASN HB2 H 2.792 0.02 2 1047 103 103 ASN HB3 H 2.860 0.02 2 1048 103 103 ASN C C 175.46 0.2 1 1049 103 103 ASN CA C 53.73 0.2 1 1050 103 103 ASN CB C 38.67 0.2 1 1051 103 103 ASN N N 118.57 0.2 1 1052 104 104 THR H H 7.904 0.02 1 1053 104 104 THR HA H 4.224 0.02 1 1054 104 104 THR HB H 4.256 0.02 1 1055 104 104 THR HG2 H 1.137 0.02 1 1056 104 104 THR C C 174.57 0.2 1 1057 104 104 THR CA C 62.30 0.2 1 1058 104 104 THR CB C 70.21 0.2 1 1059 104 104 THR CG2 C 22.25 0.2 1 1060 104 104 THR N N 113.36 0.2 1 1061 105 105 SER H H 8.250 0.02 1 1062 105 105 SER HA H 4.458 0.02 1 1063 105 105 SER HB2 H 3.829 0.02 2 1064 105 105 SER HB3 H 3.829 0.02 2 1065 105 105 SER C C 174.38 0.2 1 1066 105 105 SER CA C 58.67 0.2 1 1067 105 105 SER CB C 63.94 0.2 1 1068 105 105 SER N N 117.57 0.2 1 1069 106 106 LEU H H 8.108 0.02 1 1070 106 106 LEU HA H 4.354 0.02 1 1071 106 106 LEU HB2 H 1.265 0.02 2 1072 106 106 LEU HB3 H 1.396 0.02 2 1073 106 106 LEU HG H 1.559 0.02 1 1074 106 106 LEU HD1 H 0.844 0.02 2 1075 106 106 LEU HD2 H 0.895 0.02 2 1076 106 106 LEU C C 176.55 0.2 1 1077 106 106 LEU CA C 55.01 0.2 1 1078 106 106 LEU CB C 42.83 0.2 1 1079 106 106 LEU CG C 27.45 0.2 1 1080 106 106 LEU CD1 C 25.45 0.2 2 1081 106 106 LEU CD2 C 25.16 0.2 2 1082 106 106 LEU N N 123.57 0.2 1 1083 107 107 ASN H H 8.282 0.02 1 1084 107 107 ASN HA H 4.906 0.02 1 1085 107 107 ASN HB2 H 2.941 0.02 2 1086 107 107 ASN HB3 H 2.869 0.02 2 1087 107 107 ASN CA C 51.61 0.2 1 1088 107 107 ASN CB C 38.50 0.2 1 1089 107 107 ASN N N 120.94 0.2 1 1090 108 108 PRO HA H 4.220 0.02 1 1091 108 108 PRO HB2 H 1.908 0.02 2 1092 108 108 PRO HB3 H 2.350 0.02 2 1093 108 108 PRO HG2 H 2.341 0.02 2 1094 108 108 PRO HG3 H 1.944 0.02 2 1095 108 108 PRO HD2 H 3.778 0.02 2 1096 108 108 PRO HD3 H 3.778 0.02 2 1097 108 108 PRO C C 178.84 0.2 1 1098 108 108 PRO CA C 65.77 0.2 1 1099 108 108 PRO CB C 32.18 0.2 1 1100 108 108 PRO CG C 27.67 0.2 1 1101 108 108 PRO CD C 51.01 0.2 1 1102 109 109 GLN H H 8.251 0.02 1 1103 109 109 GLN HA H 3.812 0.02 1 1104 109 109 GLN HB2 H 2.092 0.02 2 1105 109 109 GLN HB3 H 2.169 0.02 2 1106 109 109 GLN HG2 H 2.313 0.02 2 1107 109 109 GLN HG3 H 2.414 0.02 2 1108 109 109 GLN C C 174.55 0.2 1 1109 109 109 GLN CA C 58.89 0.2 1 1110 109 109 GLN CB C 28.29 0.2 1 1111 109 109 GLN CG C 34.42 0.2 1 1112 109 109 GLN N N 117.71 0.2 1 1113 110 110 GLU H H 8.079 0.02 1 1114 110 110 GLU HA H 4.269 0.02 1 1115 110 110 GLU HB2 H 1.947 0.02 2 1116 110 110 GLU HB3 H 2.046 0.02 2 1117 110 110 GLU HG2 H 2.340 0.02 2 1118 110 110 GLU HG3 H 2.340 0.02 2 1119 110 110 GLU C C 177.99 0.2 1 1120 110 110 GLU CA C 56.44 0.2 1 1121 110 110 GLU CB C 32.92 0.2 1 1122 110 110 GLU N N 121.70 0.2 1 1123 111 111 LEU H H 8.230 0.02 1 1124 111 111 LEU C C 178.99 0.2 1 1125 111 111 LEU CA C 58.31 0.2 1 1126 111 111 LEU CB C 42.18 0.2 1 1127 111 111 LEU N N 119.61 0.2 1 1128 112 112 GLN H H 8.135 0.02 1 1129 112 112 GLN HA H 4.079 0.02 1 1130 112 112 GLN HB2 H 1.879 0.02 2 1131 112 112 GLN HB3 H 2.117 0.02 2 1132 112 112 GLN HG2 H 2.297 0.02 2 1133 112 112 GLN HG3 H 2.405 0.02 2 1134 112 112 GLN C C 178.49 0.2 1 1135 112 112 GLN CA C 57.95 0.2 1 1136 112 112 GLN CB C 28.67 0.2 1 1137 112 112 GLN CG C 35.04 0.2 1 1138 112 112 GLN N N 119.05 0.2 1 1139 113 113 ARG H H 8.053 0.02 1 1140 113 113 ARG C C 178.50 0.2 1 1141 113 113 ARG CA C 59.20 0.2 1 1142 113 113 ARG CB C 30.07 0.2 1 1143 113 113 ARG N N 119.59 0.2 1 1144 114 114 GLU H H 8.179 0.02 1 1145 114 114 GLU HA H 4.036 0.02 1 1146 114 114 GLU HB2 H 1.858 0.02 2 1147 114 114 GLU HB3 H 2.119 0.02 2 1148 114 114 GLU HG2 H 2.402 0.02 2 1149 114 114 GLU HG3 H 2.402 0.02 2 1150 114 114 GLU C C 178.16 0.2 1 1151 114 114 GLU CA C 58.88 0.2 1 1152 114 114 GLU CB C 28.31 0.2 1 1153 114 114 GLU N N 118.32 0.2 1 1154 115 115 ARG H H 7.908 0.02 1 1155 115 115 ARG HA H 4.069 0.02 1 1156 115 115 ARG HB2 H 1.709 0.02 2 1157 115 115 ARG HB3 H 1.740 0.02 2 1158 115 115 ARG HG2 H 1.581 0.02 2 1159 115 115 ARG HG3 H 1.581 0.02 2 1160 115 115 ARG HD2 H 3.150 0.02 2 1161 115 115 ARG HD3 H 3.150 0.02 2 1162 115 115 ARG C C 178.45 0.2 1 1163 115 115 ARG CA C 59.11 0.2 1 1164 115 115 ARG CB C 26.65 0.2 1 1165 115 115 ARG CG C 27.41 0.2 1 1166 115 115 ARG CD C 43.73 0.2 1 1167 115 115 ARG N N 120.38 0.2 1 1168 116 116 GLN H H 8.045 0.02 1 1169 116 116 GLN HA H 4.132 0.02 1 1170 116 116 GLN HB2 H 1.876 0.02 2 1171 116 116 GLN HB3 H 1.876 0.02 2 1172 116 116 GLN HG2 H 2.329 0.02 2 1173 116 116 GLN HG3 H 2.404 0.02 2 1174 116 116 GLN C C 178.41 0.2 1 1175 116 116 GLN CA C 58.27 0.2 1 1176 116 116 GLN CB C 28.63 0.2 1 1177 116 116 GLN CG C 34.50 0.2 1 1178 116 116 GLN N N 121.06 0.2 1 1179 117 117 LEU H H 8.063 0.02 1 1180 117 117 LEU HA H 4.042 0.02 1 1181 117 117 LEU HB2 H 1.686 0.02 2 1182 117 117 LEU HB3 H 1.686 0.02 2 1183 117 117 LEU HG H 1.573 0.02 1 1184 117 117 LEU HD1 H 0.818 0.02 2 1185 117 117 LEU HD2 H 0.818 0.02 2 1186 117 117 LEU C C 179.21 0.2 1 1187 117 117 LEU CA C 57.81 0.2 1 1188 117 117 LEU CB C 42.03 0.2 1 1189 117 117 LEU CG C 27.55 0.2 1 1190 117 117 LEU CD1 C 25.38 0.2 2 1191 117 117 LEU CD2 C 25.38 0.2 2 1192 117 117 LEU N N 120.40 0.2 1 1193 118 118 ARG H H 7.907 0.02 1 1194 118 118 ARG C C 178.06 0.2 1 1195 118 118 ARG CA C 58.50 0.2 1 1196 118 118 ARG N N 118.46 0.2 1 1197 119 119 MET H H 7.862 0.02 1 1198 119 119 MET HA H 4.049 0.02 1 1199 119 119 MET HB2 H 2.090 0.02 2 1200 119 119 MET HB3 H 2.090 0.02 2 1201 119 119 MET HG2 H 2.409 0.02 2 1202 119 119 MET HG3 H 2.323 0.02 2 1203 119 119 MET C C 176.79 0.2 1 1204 119 119 MET CA C 58.20 0.2 1 1205 119 119 MET CB C 28.47 0.2 1 1206 119 119 MET N N 118.22 0.2 1 1207 120 120 LEU H H 7.868 0.02 1 1208 120 120 LEU C C 178.78 0.2 1 1209 120 120 LEU CA C 55.86 0.2 1 1210 120 120 LEU CB C 42.29 0.2 1 1211 120 120 LEU N N 120.13 0.2 1 1212 121 121 GLN H H 7.923 0.02 1 1213 121 121 GLN C C 178.59 0.2 1 1214 121 121 GLN CA C 59.12 0.2 1 1215 121 121 GLN CB C 28.39 0.2 1 1216 121 121 GLN N N 118.47 0.2 1 1217 122 122 ASP H H 8.086 0.02 1 1218 122 122 ASP C C 175.83 0.2 1 1219 122 122 ASP CA C 58.48 0.2 1 1220 122 122 ASP N N 119.16 0.2 1 1221 123 123 LEU H H 8.124 0.02 1 1222 123 123 LEU HA H 4.265 0.02 1 1223 123 123 LEU HB2 H 1.599 0.02 2 1224 123 123 LEU HB3 H 1.599 0.02 2 1225 123 123 LEU HG H 1.321 0.02 1 1226 123 123 LEU HD1 H 0.892 0.02 2 1227 123 123 LEU HD2 H 0.892 0.02 2 1228 123 123 LEU C C 177.80 0.2 1 1229 123 123 LEU CA C 55.97 0.2 1 1230 123 123 LEU CB C 42.71 0.2 1 1231 123 123 LEU CG C 26.33 0.2 1 1232 123 123 LEU N N 121.87 0.2 1 1233 124 124 GLY H H 8.031 0.02 1 1234 124 124 GLY HA2 H 3.764 0.02 2 1235 124 124 GLY HA3 H 3.838 0.02 2 1236 124 124 GLY C C 176.81 0.2 1 1237 124 124 GLY CA C 45.47 0.2 1 1238 124 124 GLY N N 106.95 0.2 1 1239 125 125 PHE H H 7.872 0.02 1 1240 125 125 PHE HA H 4.295 0.02 1 1241 125 125 PHE HB2 H 3.170 0.02 2 1242 125 125 PHE HB3 H 3.170 0.02 2 1243 125 125 PHE C C 176.21 0.2 1 1244 125 125 PHE CA C 55.65 0.2 1 1245 125 125 PHE CB C 42.25 0.2 1 1246 125 125 PHE N N 119.65 0.2 1 1247 126 126 LYS H H 7.928 0.02 1 1248 126 126 LYS C C 176.00 0.2 1 1249 126 126 LYS CA C 56.53 0.2 1 1250 126 126 LYS CB C 33.87 0.2 1 1251 126 126 LYS N N 120.73 0.2 1 1252 127 127 ASP H H 8.229 0.02 1 1253 127 127 ASP HA H 4.618 0.02 1 1254 127 127 ASP HB2 H 2.695 0.02 2 1255 127 127 ASP HB3 H 2.839 0.02 2 1256 127 127 ASP C C 175.39 0.2 1 1257 127 127 ASP CA C 54.00 0.2 1 1258 127 127 ASP CB C 39.73 0.2 1 1259 127 127 ASP N N 119.27 0.2 1 1260 128 128 LEU H H 8.078 0.02 1 1261 128 128 LEU HA H 4.385 0.02 1 1262 128 128 LEU HB2 H 1.604 0.02 2 1263 128 128 LEU HB3 H 1.604 0.02 2 1264 128 128 LEU HG H 1.231 0.02 1 1265 128 128 LEU HD1 H 0.855 0.02 2 1266 128 128 LEU HD2 H 0.918 0.02 2 1267 128 128 LEU C C 176.97 0.2 1 1268 128 128 LEU CA C 55.51 0.2 1 1269 128 128 LEU CB C 42.57 0.2 1 1270 128 128 LEU CG C 27.28 0.2 1 1271 128 128 LEU CD1 C 25.64 0.2 2 1272 128 128 LEU CD2 C 25.31 0.2 2 1273 128 128 LEU N N 121.99 0.2 1 1274 129 129 THR H H 7.766 0.02 1 1275 129 129 THR HA H 4.391 0.02 1 1276 129 129 THR HB H 4.244 0.02 1 1277 129 129 THR HG2 H 1.179 0.02 1 1278 129 129 THR C C 178.47 0.2 1 1279 129 129 THR CA C 62.92 0.2 1 1280 129 129 THR CB C 71.34 0.2 1 1281 129 129 THR CG2 C 21.15 0.2 1 1282 129 129 THR N N 117.63 0.2 1 stop_ save_