data_18458 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N Chemical shift assignment of HIRAN domain of human HLTF ; _BMRB_accession_number 18458 _BMRB_flat_file_name bmr18458.str _Entry_type original _Submission_date 2012-05-11 _Accession_date 2012-05-11 _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 Bezsonova Irina . . 2 Neculai Dante . . 3 Arrowsmith Cheryl H. . 4 Dhe-Paganon Sirano . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 691 "13C chemical shifts" 354 "15N chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-06-12 original author . stop_ _Original_release_date 2012-06-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the HLTF HIRAN domain' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Neculai Dante . . 2 Bezsonova Irina . . 3 Weigelt J. . . 4 Bountra C. . . 5 Edwards A. . . 6 Arrowsmith Cheryl . . 7 Dhe-Paganon Sirano . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HIRAN domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HIRAN domain' $HLTF-HIRAN 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_HLTF-HIRAN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HLTF-HIRAN _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; GSDEEVDSVLFGSLRGHVVG LRYYTGVVNNNEMVALQRDP NNPYDKNAIKVNNVNGNQVG HLKKELAGALAYIMDNKLAQ IEGVVPFGANNAFTMPLHMT FWGKEENRKAVSDQLKKHGF KL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ASP 4 GLU 5 GLU 6 VAL 7 ASP 8 SER 9 VAL 10 LEU 11 PHE 12 GLY 13 SER 14 LEU 15 ARG 16 GLY 17 HIS 18 VAL 19 VAL 20 GLY 21 LEU 22 ARG 23 TYR 24 TYR 25 THR 26 GLY 27 VAL 28 VAL 29 ASN 30 ASN 31 ASN 32 GLU 33 MET 34 VAL 35 ALA 36 LEU 37 GLN 38 ARG 39 ASP 40 PRO 41 ASN 42 ASN 43 PRO 44 TYR 45 ASP 46 LYS 47 ASN 48 ALA 49 ILE 50 LYS 51 VAL 52 ASN 53 ASN 54 VAL 55 ASN 56 GLY 57 ASN 58 GLN 59 VAL 60 GLY 61 HIS 62 LEU 63 LYS 64 LYS 65 GLU 66 LEU 67 ALA 68 GLY 69 ALA 70 LEU 71 ALA 72 TYR 73 ILE 74 MET 75 ASP 76 ASN 77 LYS 78 LEU 79 ALA 80 GLN 81 ILE 82 GLU 83 GLY 84 VAL 85 VAL 86 PRO 87 PHE 88 GLY 89 ALA 90 ASN 91 ASN 92 ALA 93 PHE 94 THR 95 MET 96 PRO 97 LEU 98 HIS 99 MET 100 THR 101 PHE 102 TRP 103 GLY 104 LYS 105 GLU 106 GLU 107 ASN 108 ARG 109 LYS 110 ALA 111 VAL 112 SER 113 ASP 114 GLN 115 LEU 116 LYS 117 LYS 118 HIS 119 GLY 120 PHE 121 LYS 122 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17085 HLTF 100.00 122 100.00 100.00 9.07e-83 BMRB 25492 entity 100.00 122 100.00 100.00 9.07e-83 PDB 2L1I "Nmr Structure Of The Hltf Hiran Domain" 100.00 122 100.00 100.00 9.07e-83 PDB 2MZN "Nmr Structure Of The Hltf Hiran Domain In Its Dna-bound Conformation" 100.00 122 100.00 100.00 9.07e-83 PDB 4S0N "Crystal Structure Of Hltf Hiran Domain Bound To Dna" 96.72 130 99.15 99.15 2.03e-78 PDB 4XZF "Crystal Structure Of Hiran Domain Of Human Hltf In Complex With Dna" 94.26 122 100.00 100.00 6.28e-77 PDB 4XZG "Crystal Structure Of Hiran Domain Of Human Hltf" 94.26 138 100.00 100.00 8.63e-77 DBJ BAD92289 "SWI/SNF-related matrix-associated actin-dependent regulator of chromatin a3 variant [Homo sapiens]" 99.18 992 100.00 100.00 1.83e-77 DBJ BAF83920 "unnamed protein product [Homo sapiens]" 99.18 1009 100.00 100.00 3.58e-77 EMBL CAA86571 "helicase-like transcription factor [Homo sapiens]" 99.18 1009 100.00 100.00 3.58e-77 EMBL CAD10805 "SWI/SNF related, matrix associated, actin dependent regulator of chromatin, subfamily a, member 3 [Homo sapiens]" 99.18 1009 100.00 100.00 3.58e-77 GB AAA67436 "ATPase [Homo sapiens]" 99.18 1009 100.00 100.00 3.44e-77 GB AAB27691 "DNA-binding protein/plasminogen activator inhibitor-1 regulator, partial [Homo sapiens]" 99.18 176 100.00 100.00 2.38e-81 GB AAH05260 "HLTF protein, partial [Homo sapiens]" 99.18 395 100.00 100.00 3.36e-79 GB AAH15498 "HLTF protein, partial [Homo sapiens]" 99.18 455 100.00 100.00 2.11e-79 GB AAH30976 "HLTF protein, partial [Homo sapiens]" 99.18 460 100.00 100.00 3.04e-79 REF NP_003062 "helicase-like transcription factor [Homo sapiens]" 99.18 1009 100.00 100.00 3.58e-77 REF NP_620636 "helicase-like transcription factor [Homo sapiens]" 99.18 1009 100.00 100.00 3.58e-77 REF XP_001138277 "PREDICTED: helicase-like transcription factor isoform X3 [Pan troglodytes]" 99.18 1009 100.00 100.00 2.91e-77 REF XP_002814205 "PREDICTED: helicase-like transcription factor isoform X3 [Pongo abelii]" 99.18 1009 99.17 100.00 4.08e-77 REF XP_003256297 "PREDICTED: helicase-like transcription factor isoform X1 [Nomascus leucogenys]" 99.18 1009 97.52 100.00 3.07e-76 SP Q14527 "RecName: Full=Helicase-like transcription factor; AltName: Full=DNA-binding protein/plasminogen activator inhibitor 1 regulator" 99.18 1009 100.00 100.00 3.58e-77 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HLTF-HIRAN 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 $HLTF-HIRAN 'recombinant technology' . Escherichia coli . pET15b 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 $HLTF-HIRAN 1-1.6 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_ABACUS _Saveframe_category software _Name ABACUS _Version . loop_ _Vendor _Address _Electronic_address 'Lemak, Steren et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CC-TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC-TOCSY' _Sample_label $sample_1 save_ save_3D_aro-NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D aro-NOESY' _Sample_label $sample_1 save_ save_3D_aro-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D aro-TOCSY' _Sample_label $sample_1 save_ save_2D_aro-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D aro-HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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' 120 . mM pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CC-TOCSY' '3D aro-TOCSY' '2D aro-HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HNCA' '3D HNCO' '3D HCCH-TOCSY' 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 'HIRAN domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 3.94 0.01 2 2 1 1 GLY HA3 H 3.93 0.01 2 3 1 1 GLY C C 176.02 0.18 1 4 1 1 GLY CA C 45.71 0.12 1 5 1 1 GLY N N 109.73 0 1 6 2 2 SER H H 7.95 0.16 1 7 2 2 SER HA H 4.06 0.17 1 8 2 2 SER HB2 H 4.01 0.09 2 9 2 2 SER HB3 H 3.97 0.11 2 10 2 2 SER C C 174.79 0.38 1 11 2 2 SER CA C 59.95 0.89 1 12 2 2 SER CB C 62.62 0.25 1 13 2 2 SER N N 116.4 1.39 1 14 3 3 ASP H H 8.47 0.49 1 15 3 3 ASP HA H 4.37 0.05 1 16 3 3 ASP HB2 H 2.78 0.08 2 17 3 3 ASP HB3 H 2.77 0.1 2 18 3 3 ASP C C 178.32 0.83 1 19 3 3 ASP CA C 56.72 0.51 1 20 3 3 ASP CB C 40.48 0.7 1 21 3 3 ASP N N 122.19 1.1 1 22 4 4 GLU H H 7.92 0.15 1 23 4 4 GLU HA H 4.03 0.11 1 24 4 4 GLU HB2 H 2.1 0.09 2 25 4 4 GLU HB3 H 2.03 0.11 2 26 4 4 GLU HG2 H 2.37 0.07 2 27 4 4 GLU HG3 H 2.36 0.1 2 28 4 4 GLU C C 178.59 0.28 1 29 4 4 GLU CA C 59.01 0.44 1 30 4 4 GLU CB C 29.65 0.27 1 31 4 4 GLU N N 118.55 0.79 1 32 5 5 GLU H H 8.28 0.17 1 33 5 5 GLU HA H 4.21 0.19 1 34 5 5 GLU HB2 H 2.15 0.04 2 35 5 5 GLU HB3 H 2.16 0.06 2 36 5 5 GLU HG2 H 2.46 0.09 2 37 5 5 GLU HG3 H 2.23 0.09 2 38 5 5 GLU C C 179.13 0.3 1 39 5 5 GLU CA C 58.51 0.55 1 40 5 5 GLU CB C 29.93 0.22 1 41 5 5 GLU N N 118.58 1.13 1 42 6 6 VAL H H 7.69 0.17 1 43 6 6 VAL HA H 3.7 0.13 1 44 6 6 VAL HB H 2.12 0.05 1 45 6 6 VAL HG1 H 0.86 0.08 2 46 6 6 VAL HG2 H 0.96 0.04 2 47 6 6 VAL C C 177.48 0.23 1 48 6 6 VAL CA C 64.11 0.28 1 49 6 6 VAL CB C 31.48 0.17 1 50 6 6 VAL N N 119.92 0.4 1 51 7 7 ASP H H 7.76 0.25 1 52 7 7 ASP HA H 4.51 0.09 1 53 7 7 ASP HB2 H 2.83 0.11 2 54 7 7 ASP HB3 H 2.82 0.07 2 55 7 7 ASP C C 177.14 0.34 1 56 7 7 ASP CA C 55.79 0.37 1 57 7 7 ASP CB C 41.23 0.23 1 58 7 7 ASP N N 117.35 0.94 1 59 8 8 SER H H 7.44 0.13 1 60 8 8 SER HA H 4.35 0.14 1 61 8 8 SER HB2 H 3.67 0.17 2 62 8 8 SER HB3 H 3.72 0.17 2 63 8 8 SER C C 174.44 0.29 1 64 8 8 SER CA C 58.15 0.49 1 65 8 8 SER CB C 63.75 0.29 1 66 8 8 SER N N 112.95 1.06 1 67 9 9 VAL H H 6.92 0.28 1 68 9 9 VAL HA H 3.78 0.1 1 69 9 9 VAL HB H 2.02 0.05 1 70 9 9 VAL HG1 H 0.77 0.09 2 71 9 9 VAL HG2 H 0.96 0.1 2 72 9 9 VAL C C 174.97 0.26 1 73 9 9 VAL CA C 61.89 0.26 1 74 9 9 VAL CB C 32.38 0.33 1 75 9 9 VAL N N 115.91 0.76 1 76 10 10 LEU H H 8.38 0.12 1 77 10 10 LEU HA H 4.41 0.22 1 78 10 10 LEU HB2 H 1.82 0.1 2 79 10 10 LEU HB3 H 1.58 0.04 2 80 10 10 LEU HG H 1.35 0.07 1 81 10 10 LEU HD1 H 0.58 0.14 2 82 10 10 LEU HD2 H 0.66 0.06 2 83 10 10 LEU C C 175.26 0.45 1 84 10 10 LEU CA C 54.54 0.42 1 85 10 10 LEU CB C 42.83 0.37 1 86 10 10 LEU N N 125.7 1.44 1 87 11 11 PHE H H 8.57 0.2 1 88 11 11 PHE HA H 4.87 0.12 1 89 11 11 PHE HB2 H 3.15 0.12 2 90 11 11 PHE HB3 H 3.03 0.11 2 91 11 11 PHE C C 176.01 0.36 1 92 11 11 PHE CA C 58.62 0.65 1 93 11 11 PHE CB C 40.28 0.84 1 94 11 11 PHE N N 123.78 1.56 1 95 12 12 GLY H H 7.9 0.24 1 96 12 12 GLY HA2 H 3.99 0.3 2 97 12 12 GLY HA3 H 3.97 0.13 2 98 12 12 GLY C C 171.17 0.42 1 99 12 12 GLY CA C 44.8 0.29 1 100 12 12 GLY N N 104.85 0.74 1 101 13 13 SER H H 8.5 0.23 1 102 13 13 SER HA H 5.24 0.48 1 103 13 13 SER HB2 H 3.69 0.11 2 104 13 13 SER HB3 H 3.55 0.14 2 105 13 13 SER C C 173.89 0.32 1 106 13 13 SER CA C 57.76 0.39 1 107 13 13 SER CB C 65.61 0.38 1 108 13 13 SER N N 115.1 1.47 1 109 14 14 LEU H H 8.2 0.25 1 110 14 14 LEU HA H 4.75 0.17 1 111 14 14 LEU HB2 H 1.64 0.05 2 112 14 14 LEU HB3 H 1.71 0.11 2 113 14 14 LEU HG H 1.65 0.17 1 114 14 14 LEU HD1 H 0.92 0.06 2 115 14 14 LEU HD2 H 0.62 0.16 2 116 14 14 LEU C C 175.44 0.74 1 117 14 14 LEU CA C 54.48 0.39 1 118 14 14 LEU CB C 43.51 0.49 1 119 14 14 LEU N N 122.41 1.77 1 120 15 15 ARG H H 8.42 0.21 1 121 15 15 ARG HA H 4.58 0.22 1 122 15 15 ARG HB2 H 1.72 0.06 2 123 15 15 ARG HB3 H 1.84 0.07 2 124 15 15 ARG HG2 H 1.52 0.1 2 125 15 15 ARG HG3 H 1.59 0.06 2 126 15 15 ARG HD2 H 3.28 0.13 2 127 15 15 ARG HD3 H 3.26 0.17 2 128 15 15 ARG HE H 7.24 0.1 1 129 15 15 ARG C C 175.03 0.8 1 130 15 15 ARG CA C 54.54 0.6 1 131 15 15 ARG CB C 32.67 1.2 1 132 15 15 ARG N N 119.44 1.46 1 133 16 16 GLY H H 8.55 0.55 1 134 16 16 GLY HA2 H 3.95 0.07 2 135 16 16 GLY HA3 H 3.94 0.06 2 136 16 16 GLY C C 172.16 1.4 1 137 16 16 GLY CA C 45.05 1.13 1 138 16 16 GLY N N 112.56 3.85 1 139 17 17 HIS H H 8.4 0.29 1 140 17 17 HIS HA H 4.58 0.3 1 141 17 17 HIS HB2 H 3.17 0.12 2 142 17 17 HIS HB3 H 3.29 0.09 2 143 17 17 HIS HD2 H 5.74 0.11 1 144 17 17 HIS HE1 H 6.9 0.35 1 145 17 17 HIS C C 174.31 1.81 1 146 17 17 HIS CA C 55.24 0.83 1 147 17 17 HIS CB C 29.01 1.95 1 148 17 17 HIS N N 120.04 5.01 1 149 18 18 VAL H H 7.76 0.28 1 150 18 18 VAL HA H 4.07 0.24 1 151 18 18 VAL HB H 2.09 0.06 1 152 18 18 VAL HG1 H 0.84 0.09 2 153 18 18 VAL HG2 H 0.96 0.06 2 154 18 18 VAL C C 175.5 0.75 1 155 18 18 VAL CA C 61.01 1.18 1 156 18 18 VAL CB C 32.33 1.73 1 157 18 18 VAL N N 118.39 3.6 1 158 19 19 VAL H H 7.94 0.23 1 159 19 19 VAL HA H 4.42 0.19 1 160 19 19 VAL HB H 2.08 0.16 1 161 19 19 VAL HG1 H 0.73 0.16 2 162 19 19 VAL HG2 H 0.9 0.14 2 163 19 19 VAL C C 175.54 0.54 1 164 19 19 VAL CA C 59.44 0.73 1 165 19 19 VAL CB C 34.49 0.92 1 166 19 19 VAL N N 120.18 3.36 1 167 20 20 GLY H H 8.46 0.18 1 168 20 20 GLY HA2 H 4.05 0.12 2 169 20 20 GLY HA3 H 3.99 0.08 2 170 20 20 GLY C C 173.97 0.83 1 171 20 20 GLY CA C 45.18 0.76 1 172 20 20 GLY N N 111.75 2.54 1 173 21 21 LEU H H 8.38 0.21 1 174 21 21 LEU HA H 4.42 0.38 1 175 21 21 LEU HB2 H 1.67 0.14 2 176 21 21 LEU HB3 H 1.71 0.13 2 177 21 21 LEU HG H 1.65 0.29 1 178 21 21 LEU HD1 H 0.84 0.24 2 179 21 21 LEU HD2 H 0.84 0.16 2 180 21 21 LEU C C 178.71 0.84 1 181 21 21 LEU CA C 56.47 1.15 1 182 21 21 LEU CB C 41.92 0.82 1 183 21 21 LEU N N 123.92 2.89 1 184 22 22 ARG H H 7.92 0.27 1 185 22 22 ARG HA H 3.9 0.17 1 186 22 22 ARG HB2 H 1.65 0.23 2 187 22 22 ARG HB3 H 1.7 0.33 2 188 22 22 ARG HG2 H 1.4 0.38 2 189 22 22 ARG HG3 H 1.51 0.23 2 190 22 22 ARG HD2 H 3.13 0.16 2 191 22 22 ARG HD3 H 3.06 0.28 2 192 22 22 ARG HE H 7.37 0.1 1 193 22 22 ARG C C 176.77 0.51 1 194 22 22 ARG CA C 59.06 0.65 1 195 22 22 ARG CB C 30.26 0.37 1 196 22 22 ARG N N 117.77 1.37 1 197 23 23 TYR H H 7.69 0.26 1 198 23 23 TYR HA H 4.5 0.2 1 199 23 23 TYR HB2 H 2.92 0.14 2 200 23 23 TYR HB3 H 2.85 0.25 2 201 23 23 TYR C C 175.31 0.92 1 202 23 23 TYR CA C 58.31 1.15 1 203 23 23 TYR CB C 39.47 1.32 1 204 23 23 TYR N N 113.92 2.54 1 205 24 24 TYR H H 7.65 0.42 1 206 24 24 TYR HA H 4.38 0.45 1 207 24 24 TYR HB2 H 3.03 0.15 2 208 24 24 TYR HB3 H 2.93 0.13 2 209 24 24 TYR C C 174.89 2.26 1 210 24 24 TYR CA C 57.7 1.55 1 211 24 24 TYR CB C 39.22 2.03 1 212 24 24 TYR N N 118.45 3.21 1 213 25 25 THR H H 8.22 0.47 1 214 25 25 THR HA H 3.97 0.26 1 215 25 25 THR HB H 4.24 0.1 1 216 25 25 THR HG2 H 1.2 0.11 1 217 25 25 THR C C 175.51 0.8 1 218 25 25 THR CA C 63.52 1.37 1 219 25 25 THR CB C 68.62 0.83 1 220 25 25 THR N N 116.41 3.29 1 221 26 26 GLY H H 8.18 0.41 1 222 26 26 GLY HA2 H 3.99 0.07 2 223 26 26 GLY HA3 H 4.05 0.12 2 224 26 26 GLY C C 173.6 0.39 1 225 26 26 GLY CA C 45.68 0.68 1 226 26 26 GLY N N 108.62 0.74 1 227 27 27 VAL H H 7.43 0.43 1 228 27 27 VAL HA H 4.11 0.33 1 229 27 27 VAL HB H 2.11 0.12 1 230 27 27 VAL HG1 H 0.72 0.14 2 231 27 27 VAL HG2 H 0.92 0.09 2 232 27 27 VAL C C 175.68 0.35 1 233 27 27 VAL CA C 60.66 1.16 1 234 27 27 VAL CB C 32.91 0.85 1 235 27 27 VAL N N 113.08 2.82 1 236 28 28 VAL H H 8.05 0.16 1 237 28 28 VAL HA H 4.25 0.18 1 238 28 28 VAL HB H 2.1 0.08 1 239 28 28 VAL HG1 H 0.76 0.09 2 240 28 28 VAL HG2 H 0.94 0.06 2 241 28 28 VAL C C 175.13 0.26 1 242 28 28 VAL CA C 61.21 0.62 1 243 28 28 VAL CB C 33.1 0.63 1 244 28 28 VAL N N 124.11 1.97 1 245 29 29 ASN H H 8.63 0.24 1 246 29 29 ASN HA H 4.72 0.13 1 247 29 29 ASN HB2 H 2.84 0.08 2 248 29 29 ASN HB3 H 2.74 0.1 2 249 29 29 ASN HD21 H 7.14 0.25 2 250 29 29 ASN HD22 H 6.74 0.05 2 251 29 29 ASN C C 175.31 0.16 1 252 29 29 ASN CA C 52.71 0.46 1 253 29 29 ASN CB C 40.16 0.32 1 254 29 29 ASN N N 125.79 1.03 1 255 30 30 ASN H H 8.75 0.15 1 256 30 30 ASN HA H 4.39 0.1 1 257 30 30 ASN HB2 H 2.78 0.11 2 258 30 30 ASN HB3 H 2.89 0.09 2 259 30 30 ASN HD21 H 6.84 0.36 2 260 30 30 ASN HD22 H 7.69 0.58 2 261 30 30 ASN C C 176.8 0.44 1 262 30 30 ASN CA C 56.34 0.38 1 263 30 30 ASN CB C 38.49 0.47 1 264 30 30 ASN N N 118.98 1.07 1 265 31 31 ASN H H 8.24 0.21 1 266 31 31 ASN HA H 4.54 0.05 1 267 31 31 ASN HB2 H 2.77 0.07 2 268 31 31 ASN HB3 H 2.87 0.04 2 269 31 31 ASN HD21 H 6.95 0.38 2 270 31 31 ASN HD22 H 7.5 0.25 2 271 31 31 ASN C C 176.06 0.38 1 272 31 31 ASN CA C 55.6 0.53 1 273 31 31 ASN CB C 38.84 0.46 1 274 31 31 ASN N N 116.19 1.51 1 275 32 32 GLU H H 7.75 0.08 1 276 32 32 GLU HA H 4.22 0.07 1 277 32 32 GLU HB2 H 2.19 0.08 2 278 32 32 GLU HB3 H 1.99 0.07 2 279 32 32 GLU HG2 H 2.34 0.05 2 280 32 32 GLU HG3 H 2.37 0.15 2 281 32 32 GLU C C 176.69 0.12 1 282 32 32 GLU CA C 56.41 0.47 1 283 32 32 GLU CB C 30.0 0.17 1 284 32 32 GLU N N 117.09 1.16 1 285 33 33 MET H H 7.31 0.41 1 286 33 33 MET HA H 4.11 0.13 1 287 33 33 MET HB2 H 2.09 0.12 2 288 33 33 MET HB3 H 2.21 0.09 2 289 33 33 MET HG2 H 2.61 0.03 2 290 33 33 MET HG3 H 2.76 0.06 2 291 33 33 MET HE H 0.33 0.04 1 292 33 33 MET C C 176.19 0.17 1 293 33 33 MET CA C 55.94 0.35 1 294 33 33 MET CB C 31.92 0.16 1 295 33 33 MET N N 116.73 0.53 1 296 34 34 VAL H H 8.24 0.15 1 297 34 34 VAL HA H 4.42 0.12 1 298 34 34 VAL HB H 2.08 0.04 1 299 34 34 VAL HG1 H 0.8 0.09 2 300 34 34 VAL HG2 H 0.99 0.06 2 301 34 34 VAL C C 174.98 0.16 1 302 34 34 VAL CA C 60.04 0.37 1 303 34 34 VAL CB C 34.03 0.52 1 304 34 34 VAL N N 114.32 1.05 1 305 35 35 ALA H H 8.27 0.12 1 306 35 35 ALA HA H 4.87 0.11 1 307 35 35 ALA HB H 1.22 0.03 1 308 35 35 ALA C C 175.46 0.19 1 309 35 35 ALA CA C 50.93 0.18 1 310 35 35 ALA CB C 22.02 0.12 1 311 35 35 ALA N N 124.95 1.47 1 312 36 36 LEU H H 8.25 0.19 1 313 36 36 LEU HA H 4.65 0.09 1 314 36 36 LEU HB2 H 1.67 0.08 2 315 36 36 LEU HB3 H 1.63 0.03 2 316 36 36 LEU HG H 1.59 0.09 1 317 36 36 LEU HD1 H 0.93 0.05 2 318 36 36 LEU HD2 H 0.59 0.12 2 319 36 36 LEU C C 176.28 0.29 1 320 36 36 LEU CA C 54.14 0.18 1 321 36 36 LEU CB C 42.93 0.67 1 322 36 36 LEU N N 122.14 1.34 1 323 37 37 GLN H H 8.46 0.11 1 324 37 37 GLN HA H 4.29 0.1 1 325 37 37 GLN HB2 H 2.03 0.04 2 326 37 37 GLN HB3 H 2.04 0.07 2 327 37 37 GLN HG2 H 2.26 0.01 2 328 37 37 GLN HG3 H 2.37 0.02 2 329 37 37 GLN HE21 H 7.53 0.18 2 330 37 37 GLN HE22 H 6.84 0.09 2 331 37 37 GLN C C 173.02 0.39 1 332 37 37 GLN CA C 55.68 0.34 1 333 37 37 GLN CB C 30.7 0.65 1 334 37 37 GLN N N 122.65 1.19 1 335 38 38 ARG H H 8.25 0.18 1 336 38 38 ARG HA H 4.68 0.1 1 337 38 38 ARG HB2 H 1.95 0.11 2 338 38 38 ARG HB3 H 1.89 0.06 2 339 38 38 ARG HG2 H 1.59 0.04 2 340 38 38 ARG HG3 H 1.7 0.1 2 341 38 38 ARG HD2 H 3.4 0.1 2 342 38 38 ARG HD3 H 3.26 0.08 2 343 38 38 ARG HE H 7.38 0 1 344 38 38 ARG C C 174.82 0.73 1 345 38 38 ARG CA C 54.06 0.23 1 346 38 38 ARG CB C 33.39 0.64 1 347 38 38 ARG N N 125.14 1.73 1 348 39 39 ASP H H 8.52 0.11 1 349 39 39 ASP HA H 4.48 0.06 1 350 39 39 ASP HB2 H 2.77 0.06 2 351 39 39 ASP HB3 H 2.63 0.05 2 352 39 39 ASP C C 175.77 0.53 1 353 39 39 ASP CA C 54.1 0.4 1 354 39 39 ASP CB C 41.1 0.39 1 355 39 39 ASP N N 118.47 0.8 1 356 40 40 PRO HA H 4.52 0.32 1 357 40 40 PRO HB2 H 2.18 0.04 2 358 40 40 PRO HB3 H 2.26 0.06 2 359 40 40 PRO HG2 H 1.99 0.02 2 360 40 40 PRO HG3 H 1.94 0.03 2 361 40 40 PRO HD2 H 3.68 0.19 2 362 40 40 PRO HD3 H 3.73 0.44 2 363 40 40 PRO C C 177 0.39 1 364 40 40 PRO CA C 65.1 0.59 1 365 40 40 PRO CB C 31.5 0.17 1 366 41 41 ASN H H 7.98 0.14 1 367 41 41 ASN HA H 4.58 0.21 1 368 41 41 ASN HB2 H 2.69 0.07 2 369 41 41 ASN HB3 H 2.92 0.09 2 370 41 41 ASN HD21 H 7.04 0.17 2 371 41 41 ASN HD22 H 7.87 0.19 2 372 41 41 ASN C C 174.21 0.61 1 373 41 41 ASN CA C 54.51 1.09 1 374 41 41 ASN CB C 39.57 0.37 1 375 41 41 ASN N N 115.6 1.21 1 376 42 42 ASN H H 8.01 0.15 1 377 42 42 ASN HA H 4.65 0.14 1 378 42 42 ASN HB2 H 2.93 0.12 2 379 42 42 ASN HB3 H 2.92 0.1 2 380 42 42 ASN HD21 H 6.97 0.21 2 381 42 42 ASN HD22 H 7.83 0.54 2 382 42 42 ASN C C 173.61 0.28 1 383 42 42 ASN CA C 52.19 0.5 1 384 42 42 ASN CB C 39.24 0.32 1 385 42 42 ASN N N 117.56 1.02 1 386 43 43 PRO HA H 4.57 0.15 1 387 43 43 PRO HB2 H 2.09 0.13 2 388 43 43 PRO HB3 H 2.1 0.11 2 389 43 43 PRO HG2 H 1.8 0.37 2 390 43 43 PRO HG3 H 1.93 0.15 2 391 43 43 PRO HD2 H 3.66 0.21 2 392 43 43 PRO HD3 H 3.87 0.37 2 393 43 43 PRO C C 177.3 0.38 1 394 43 43 PRO CA C 63.85 0.57 1 395 43 43 PRO CB C 31.64 0.35 1 396 44 44 TYR H H 7.94 0.27 1 397 44 44 TYR HA H 4.28 0.19 1 398 44 44 TYR HB2 H 3.07 0.06 2 399 44 44 TYR HB3 H 3.02 0.09 2 400 44 44 TYR C C 176.79 0.39 1 401 44 44 TYR CA C 59.95 0.73 1 402 44 44 TYR CB C 38.15 0.49 1 403 44 44 TYR N N 118.36 1.95 1 404 45 45 ASP H H 8.09 0.11 1 405 45 45 ASP HA H 4.44 0.09 1 406 45 45 ASP HB2 H 2.91 0.1 2 407 45 45 ASP HB3 H 2.8 0.16 2 408 45 45 ASP C C 178.07 0.35 1 409 45 45 ASP CA C 56.62 0.42 1 410 45 45 ASP CB C 40.78 0.73 1 411 45 45 ASP N N 119.8 1.14 1 412 46 46 LYS H H 7.87 0.21 1 413 46 46 LYS HA H 3.9 0.09 1 414 46 46 LYS HB2 H 2.0 0.05 2 415 46 46 LYS HB3 H 2.06 0.03 2 416 46 46 LYS HG2 H 1.61 0.07 2 417 46 46 LYS HG3 H 1.47 0.09 2 418 46 46 LYS HD2 H 1.39 0.11 2 419 46 46 LYS HD3 H 1.64 0.11 2 420 46 46 LYS HE2 H 2.92 0.1 2 421 46 46 LYS HE3 H 2.96 0.08 2 422 46 46 LYS C C 178.55 0.16 1 423 46 46 LYS CA C 60.16 0.34 1 424 46 46 LYS CB C 32.13 0.17 1 425 46 46 LYS N N 119.38 0.43 1 426 47 47 ASN H H 7.82 0.24 1 427 47 47 ASN HA H 4.26 0.09 1 428 47 47 ASN HB2 H 2.64 0.22 2 429 47 47 ASN HB3 H 2.81 0.33 2 430 47 47 ASN HD21 H 7.03 0.17 2 431 47 47 ASN HD22 H 8.0 0.59 2 432 47 47 ASN C C 176.54 0.2 1 433 47 47 ASN CA C 56.05 0.22 1 434 47 47 ASN CB C 39.04 0.23 1 435 47 47 ASN N N 116.6 0.75 1 436 48 48 ALA H H 7.75 0.22 1 437 48 48 ALA HA H 4.1 0.08 1 438 48 48 ALA HB H 1.34 0.07 1 439 48 48 ALA C C 179.47 0.25 1 440 48 48 ALA CA C 55.21 0.17 1 441 48 48 ALA CB C 18.46 0.09 1 442 48 48 ALA N N 121.98 0.4 1 443 49 49 ILE H H 7.67 0.12 1 444 49 49 ILE HA H 3.82 0.1 1 445 49 49 ILE HB H 1.83 0.04 1 446 49 49 ILE HG12 H 1.58 0.11 2 447 49 49 ILE HG13 H 0.63 0.04 2 448 49 49 ILE HG2 H 0.96 0.04 1 449 49 49 ILE HD1 H 0.83 0.02 1 450 49 49 ILE C C 177.46 0.43 1 451 49 49 ILE CA C 63.08 0.47 1 452 49 49 ILE CB C 37.86 0.2 1 453 49 49 ILE N N 109.57 0.5 1 454 50 50 LYS H H 7.54 0.13 1 455 50 50 LYS HA H 4.23 0.11 1 456 50 50 LYS HB2 H 1.87 0.07 2 457 50 50 LYS HB3 H 1.98 0.09 2 458 50 50 LYS HG2 H 1.43 0.05 2 459 50 50 LYS HG3 H 1.42 0.07 2 460 50 50 LYS HD2 H 1.75 0.09 2 461 50 50 LYS HD3 H 1.74 0.04 2 462 50 50 LYS HE2 H 3.06 0.04 2 463 50 50 LYS HE3 H 2.96 0.05 2 464 50 50 LYS C C 177.14 0.37 1 465 50 50 LYS CA C 56.71 1.04 1 466 50 50 LYS CB C 32.44 0.41 1 467 50 50 LYS N N 120.45 1.14 1 468 51 51 VAL H H 7.04 0.18 1 469 51 51 VAL HA H 3.63 0.08 1 470 51 51 VAL HB H 2.12 0.04 1 471 51 51 VAL HG1 H 0.8 0.08 2 472 51 51 VAL HG2 H 0.93 0.02 2 473 51 51 VAL C C 175.61 0.28 1 474 51 51 VAL CA C 62.11 0.28 1 475 51 51 VAL CB C 31.56 0.24 1 476 51 51 VAL N N 118.88 0.87 1 477 52 52 ASN H H 8.39 0.11 1 478 52 52 ASN HA H 4.76 0.11 1 479 52 52 ASN HB2 H 2.78 0.07 2 480 52 52 ASN HB3 H 2.81 0.07 2 481 52 52 ASN HD21 H 6.72 0.46 2 482 52 52 ASN HD22 H 7.84 0.39 2 483 52 52 ASN C C 174.44 0.36 1 484 52 52 ASN CA C 51.78 0.48 1 485 52 52 ASN CB C 39.6 0.74 1 486 52 52 ASN N N 120.72 1.39 1 487 53 53 ASN H H 8.33 0.07 1 488 53 53 ASN HA H 4.63 0.07 1 489 53 53 ASN HB2 H 2.81 0.07 2 490 53 53 ASN HB3 H 2.73 0.04 2 491 53 53 ASN HD21 H 6.76 0.23 2 492 53 53 ASN HD22 H 7.66 0.03 2 493 53 53 ASN C C 176.8 0.26 1 494 53 53 ASN CA C 52.86 0.21 1 495 53 53 ASN CB C 39.54 0.24 1 496 53 53 ASN N N 117.4 1.28 1 497 54 54 VAL H H 8.4 0.08 1 498 54 54 VAL HA H 3.65 0.16 1 499 54 54 VAL HB H 2.05 0.11 1 500 54 54 VAL HG1 H 0.79 0.1 2 501 54 54 VAL HG2 H 0.88 0.29 2 502 54 54 VAL C C 177.34 0.39 1 503 54 54 VAL CA C 64.66 0.42 1 504 54 54 VAL CB C 31.68 0.15 1 505 54 54 VAL N N 121.63 0.75 1 506 55 55 ASN H H 7.95 0.14 1 507 55 55 ASN HA H 4.6 0.25 1 508 55 55 ASN HB2 H 2.8 0.11 2 509 55 55 ASN HB3 H 2.96 0.12 2 510 55 55 ASN HD21 H 6.34 0.47 2 511 55 55 ASN HD22 H 7.32 0.42 2 512 55 55 ASN C C 176.69 0.32 1 513 55 55 ASN CA C 53.75 1.1 1 514 55 55 ASN CB C 38.58 0.61 1 515 55 55 ASN N N 115.85 1.22 1 516 56 56 GLY H H 7.79 0.26 1 517 56 56 GLY HA2 H 3.93 0.04 2 518 56 56 GLY HA3 H 3.96 0.09 2 519 56 56 GLY C C 173.72 0.85 1 520 56 56 GLY CA C 46.88 0.98 1 521 56 56 GLY N N 107.19 0.68 1 522 57 57 ASN H H 8.09 0.22 1 523 57 57 ASN HA H 4.5 0.19 1 524 57 57 ASN HB2 H 2.91 0.09 2 525 57 57 ASN HB3 H 2.91 0.08 2 526 57 57 ASN HD21 H 6.85 0.23 2 527 57 57 ASN HD22 H 7.02 0.41 2 528 57 57 ASN C C 176.08 0.48 1 529 57 57 ASN CA C 54.04 0.72 1 530 57 57 ASN CB C 38.36 0.94 1 531 57 57 ASN N N 120.87 3.17 1 532 58 58 GLN H H 7.72 0.17 1 533 58 58 GLN HA H 4.16 0.11 1 534 58 58 GLN HB2 H 2.18 0.09 2 535 58 58 GLN HB3 H 2.17 0.19 2 536 58 58 GLN HG2 H 2.43 0.1 2 537 58 58 GLN HG3 H 2.46 0.14 2 538 58 58 GLN HE21 H 7.57 0.61 2 539 58 58 GLN HE22 H 6.74 0.22 2 540 58 58 GLN C C 178.37 0.54 1 541 58 58 GLN CA C 58.05 0.85 1 542 58 58 GLN CB C 28.95 0.48 1 543 58 58 GLN N N 115.71 1.53 1 544 59 59 VAL H H 7.8 0.17 1 545 59 59 VAL HA H 3.79 0.17 1 546 59 59 VAL HB H 2.09 0.04 1 547 59 59 VAL HG1 H 0.81 0.06 2 548 59 59 VAL HG2 H 0.98 0.04 2 549 59 59 VAL C C 178.05 0.16 1 550 59 59 VAL CA C 64.14 0.66 1 551 59 59 VAL CB C 31.32 0.35 1 552 59 59 VAL N N 113.11 1.61 1 553 60 60 GLY H H 7.88 0.3 1 554 60 60 GLY HA2 H 3.95 0.04 2 555 60 60 GLY HA3 H 3.96 0.04 2 556 60 60 GLY C C 175.09 0.2 1 557 60 60 GLY CA C 48.16 0.57 1 558 60 60 GLY N N 105.31 1.06 1 559 61 61 HIS H H 7.97 0.23 1 560 61 61 HIS HA H 4.25 0.12 1 561 61 61 HIS HB2 H 3.13 0.07 2 562 61 61 HIS HB3 H 3.38 0.05 2 563 61 61 HIS HD2 H 5.71 0.08 1 564 61 61 HIS HE1 H 7.0 0.05 1 565 61 61 HIS C C 176.93 0.44 1 566 61 61 HIS CA C 58.55 0.46 1 567 61 61 HIS CB C 29.18 0.43 1 568 61 61 HIS N N 117.49 0.93 1 569 62 62 LEU H H 7.8 0.13 1 570 62 62 LEU HA H 4.32 0.24 1 571 62 62 LEU HB2 H 1.76 0.06 2 572 62 62 LEU HB3 H 1.7 0.1 2 573 62 62 LEU HG H 1.67 0.15 1 574 62 62 LEU HD1 H 0.96 0.08 2 575 62 62 LEU HD2 H 0.68 0.19 2 576 62 62 LEU C C 178.28 0.34 1 577 62 62 LEU CA C 56.6 1.17 1 578 62 62 LEU CB C 42.4 0.48 1 579 62 62 LEU N N 120.82 1.24 1 580 63 63 LYS H H 8.17 0.18 1 581 63 63 LYS HA H 3.99 0.08 1 582 63 63 LYS HB2 H 1.94 0.07 2 583 63 63 LYS HB3 H 1.84 0.07 2 584 63 63 LYS HG2 H 1.48 0.09 2 585 63 63 LYS HG3 H 1.5 0.11 2 586 63 63 LYS HD2 H 1.71 0.11 2 587 63 63 LYS HD3 H 1.63 0.12 2 588 63 63 LYS HE2 H 2.97 0.1 2 589 63 63 LYS HE3 H 2.93 0.07 2 590 63 63 LYS C C 178.74 0.34 1 591 63 63 LYS CA C 58.81 0.56 1 592 63 63 LYS CB C 31.8 0.25 1 593 63 63 LYS N N 119.15 0.85 1 594 64 64 LYS H H 7.8 0.18 1 595 64 64 LYS HA H 3.9 0.06 1 596 64 64 LYS HB2 H 1.9 0.11 2 597 64 64 LYS HB3 H 1.87 0.12 2 598 64 64 LYS HG2 H 1.44 0.05 2 599 64 64 LYS HG3 H 1.56 0.08 2 600 64 64 LYS HD2 H 1.61 0.16 2 601 64 64 LYS HD3 H 1.68 0.14 2 602 64 64 LYS HE2 H 2.94 0.13 2 603 64 64 LYS HE3 H 2.97 0.1 2 604 64 64 LYS C C 178.51 0.28 1 605 64 64 LYS CA C 59.64 0.2 1 606 64 64 LYS CB C 32.21 0.26 1 607 64 64 LYS N N 120.07 0.68 1 608 65 65 GLU H H 8.04 0.1 1 609 65 65 GLU HA H 3.99 0.14 1 610 65 65 GLU HB2 H 2.16 0.11 2 611 65 65 GLU HB3 H 2.14 0.1 2 612 65 65 GLU HG2 H 2.42 0.11 2 613 65 65 GLU HG3 H 2.47 0.13 2 614 65 65 GLU C C 178.78 0.27 1 615 65 65 GLU CA C 59.1 0.38 1 616 65 65 GLU CB C 29.62 0.13 1 617 65 65 GLU N N 118.15 1.01 1 618 66 66 LEU H H 8.09 0.14 1 619 66 66 LEU HA H 3.87 0.1 1 620 66 66 LEU HB2 H 1.74 0.08 2 621 66 66 LEU HB3 H 1.59 0.08 2 622 66 66 LEU HG H 1.66 0.11 1 623 66 66 LEU HD1 H 0.88 0.13 2 624 66 66 LEU HD2 H 0.29 0.27 2 625 66 66 LEU C C 179.21 0.17 1 626 66 66 LEU CA C 57.28 0.28 1 627 66 66 LEU CB C 41.46 0.13 1 628 66 66 LEU N N 119.5 0.78 1 629 67 67 ALA H H 7.99 0.11 1 630 67 67 ALA HA H 4.03 0.03 1 631 67 67 ALA HB H 1.36 0.02 1 632 67 67 ALA C C 179.98 0.05 1 633 67 67 ALA CA C 55.16 0.11 1 634 67 67 ALA CB C 18.18 0.15 1 635 67 67 ALA N N 121.1 0.26 1 636 68 68 GLY H H 7.65 0.13 1 637 68 68 GLY HA2 H 3.75 0.16 2 638 68 68 GLY HA3 H 3.89 0.05 2 639 68 68 GLY C C 175.88 0.1 1 640 68 68 GLY CA C 47.7 0.15 1 641 68 68 GLY N N 103.22 0.54 1 642 69 69 ALA H H 7.82 0.15 1 643 69 69 ALA HA H 4.24 0.27 1 644 69 69 ALA HB H 1.38 0.09 1 645 69 69 ALA C C 179.75 0.15 1 646 69 69 ALA CA C 54.56 0.28 1 647 69 69 ALA CB C 18.42 0.07 1 648 69 69 ALA N N 124.47 0.68 1 649 70 70 LEU H H 8.17 0.13 1 650 70 70 LEU HA H 3.97 0.09 1 651 70 70 LEU HB2 H 1.87 0.06 2 652 70 70 LEU HB3 H 1.68 0.05 2 653 70 70 LEU HG H 1.6 0.11 1 654 70 70 LEU HD1 H 0.7 0.14 2 655 70 70 LEU HD2 H 0.69 0.3 2 656 70 70 LEU C C 179.36 0.14 1 657 70 70 LEU CA C 57.36 0.37 1 658 70 70 LEU CB C 41.39 0.21 1 659 70 70 LEU N N 117.31 0.42 1 660 71 71 ALA H H 7.58 0.06 1 661 71 71 ALA HA H 3.98 0.06 1 662 71 71 ALA HB H 1.4 0.03 1 663 71 71 ALA C C 178.89 0.09 1 664 71 71 ALA CA C 55.32 0.2 1 665 71 71 ALA CB C 18.43 0.19 1 666 71 71 ALA N N 120.61 0.69 1 667 72 72 TYR H H 7.78 0.08 1 668 72 72 TYR HA H 4.11 0.13 1 669 72 72 TYR HB2 H 3.01 0.05 2 670 72 72 TYR HB3 H 3.14 0.05 2 671 72 72 TYR C C 178.13 0.27 1 672 72 72 TYR CA C 61.03 0.13 1 673 72 72 TYR CB C 38.75 0.14 1 674 72 72 TYR N N 117.58 0.39 1 675 73 73 ILE H H 8.02 0.1 1 676 73 73 ILE HA H 3.47 0.12 1 677 73 73 ILE HB H 1.89 0.09 1 678 73 73 ILE HG12 H 1.54 0.06 2 679 73 73 ILE HG13 H 1.15 0.23 2 680 73 73 ILE HG2 H 0.94 0.07 1 681 73 73 ILE HD1 H 0.88 0.15 1 682 73 73 ILE C C 178.41 0.1 1 683 73 73 ILE CA C 64.33 0.2 1 684 73 73 ILE CB C 37.02 0.2 1 685 73 73 ILE N N 120.94 0.33 1 686 74 74 MET H H 8.05 0.16 1 687 74 74 MET HA H 4.07 0.04 1 688 74 74 MET HB2 H 2.01 0.08 2 689 74 74 MET HB3 H 2.17 0.06 2 690 74 74 MET HG2 H 2.79 0.14 2 691 74 74 MET HG3 H 2.82 0.08 2 692 74 74 MET HE H 0.34 0.08 1 693 74 74 MET C C 177.86 0.44 1 694 74 74 MET CA C 58.13 0.45 1 695 74 74 MET CB C 31.81 0.28 1 696 74 74 MET N N 119.19 0.46 1 697 75 75 ASP H H 7.7 0.4 1 698 75 75 ASP HA H 4.43 0.12 1 699 75 75 ASP HB2 H 2.61 0.1 2 700 75 75 ASP HB3 H 2.71 0.07 2 701 75 75 ASP C C 176.91 0.47 1 702 75 75 ASP CA C 57.01 0.33 1 703 75 75 ASP CB C 41.72 0.28 1 704 75 75 ASP N N 117.12 1.2 1 705 76 76 ASN H H 8.16 0.14 1 706 76 76 ASN HA H 4.65 0.08 1 707 76 76 ASN HB2 H 2.23 0.15 2 708 76 76 ASN HB3 H 2.48 0.08 2 709 76 76 ASN HD21 H 6.52 0.2 2 710 76 76 ASN HD22 H 7.23 0.67 2 711 76 76 ASN C C 177.95 0.12 1 712 76 76 ASN CA C 56.97 0.29 1 713 76 76 ASN CB C 38.79 0.33 1 714 76 76 ASN N N 115.8 0.41 1 715 77 77 LYS H H 7.29 0.08 1 716 77 77 LYS HA H 4.81 0.1 1 717 77 77 LYS HB2 H 1.79 0.03 2 718 77 77 LYS HB3 H 1.78 0.02 2 719 77 77 LYS HG2 H 1.49 0.05 2 720 77 77 LYS HG3 H 1.5 0.14 2 721 77 77 LYS HD2 H 1.98 0.18 2 722 77 77 LYS HD3 H 1.6 0.53 2 723 77 77 LYS HE2 H 2.93 0.08 2 724 77 77 LYS HE3 H 3.09 0.07 2 725 77 77 LYS C C 177.4 0.32 1 726 77 77 LYS CA C 60.14 0.56 1 727 77 77 LYS CB C 31.48 0.16 1 728 77 77 LYS N N 117.8 0.56 1 729 78 78 LEU H H 8.00 0.1 1 730 78 78 LEU HA H 3.91 0.07 1 731 78 78 LEU HB2 H 1.53 0.06 2 732 78 78 LEU HB3 H 1.73 0.06 2 733 78 78 LEU HG H 2.06 0.05 1 734 78 78 LEU HD1 H 0.95 0.05 2 735 78 78 LEU HD2 H 0.66 0.06 2 736 78 78 LEU C C 177.34 0.28 1 737 78 78 LEU CA C 57.46 0.2 1 738 78 78 LEU CB C 41.67 0.04 1 739 78 78 LEU N N 122.01 0.8 1 740 79 79 ALA H H 7.56 0.16 1 741 79 79 ALA HA H 5.06 0.17 1 742 79 79 ALA HB H 1.18 0.4 1 743 79 79 ALA C C 175.53 0.42 1 744 79 79 ALA CA C 50.32 0.32 1 745 79 79 ALA CB C 22.16 0.62 1 746 79 79 ALA N N 117.24 1 1 747 80 80 GLN H H 9.08 0.16 1 748 80 80 GLN HA H 4.62 0.21 1 749 80 80 GLN HB2 H 2.25 0.06 2 750 80 80 GLN HB3 H 2.18 0.07 2 751 80 80 GLN HG2 H 2.41 0.07 2 752 80 80 GLN HG3 H 2.47 0.08 2 753 80 80 GLN HE21 H 7.47 0.11 2 754 80 80 GLN HE22 H 6.91 0.12 2 755 80 80 GLN C C 174.66 0.34 1 756 80 80 GLN CA C 54.6 0.33 1 757 80 80 GLN CB C 31.12 1.16 1 758 80 80 GLN N N 120.9 2.14 1 759 81 81 ILE H H 8.35 0.12 1 760 81 81 ILE HA H 4.73 0.24 1 761 81 81 ILE HB H 1.85 0.12 1 762 81 81 ILE HG12 H 0.98 0.31 2 763 81 81 ILE HG13 H 0.41 0.42 2 764 81 81 ILE HG2 H 0.89 0.25 1 765 81 81 ILE HD1 H 0.81 0.29 1 766 81 81 ILE C C 174.77 0.31 1 767 81 81 ILE CA C 60.18 0.49 1 768 81 81 ILE CB C 38.99 0.67 1 769 81 81 ILE N N 125.87 2.92 1 770 82 82 GLU H H 8.88 0.25 1 771 82 82 GLU HA H 4.73 0.15 1 772 82 82 GLU HB2 H 2.19 0.08 2 773 82 82 GLU HB3 H 1.86 0.16 2 774 82 82 GLU HG2 H 2.36 0.08 2 775 82 82 GLU HG3 H 2.38 0.04 2 776 82 82 GLU C C 174.36 0.41 1 777 82 82 GLU CA C 54.7 0.32 1 778 82 82 GLU CB C 33.46 0.54 1 779 82 82 GLU N N 127.39 1.03 1 780 83 83 GLY H H 8.99 0.25 1 781 83 83 GLY HA2 H 3.92 0.04 2 782 83 83 GLY HA3 H 4.08 0.08 2 783 83 83 GLY C C 172.17 0.3 1 784 83 83 GLY CA C 44.43 0.61 1 785 83 83 GLY N N 113.43 1.83 1 786 84 84 VAL H H 8.18 0.29 1 787 84 84 VAL HA H 4.87 0.13 1 788 84 84 VAL HB H 2.1 0.11 1 789 84 84 VAL HG1 H 0.94 0.08 2 790 84 84 VAL HG2 H 1.05 0.11 2 791 84 84 VAL C C 175.74 0.44 1 792 84 84 VAL CA C 59.03 0.41 1 793 84 84 VAL CB C 36.06 0.6 1 794 84 84 VAL N N 118.66 2.08 1 795 85 85 VAL H H 8.34 0.19 1 796 85 85 VAL HA H 3.86 0.34 1 797 85 85 VAL HB H 2.07 0.14 1 798 85 85 VAL HG1 H 0.71 0.28 2 799 85 85 VAL HG2 H 0.93 0.11 2 800 85 85 VAL C C 174.58 0.55 1 801 85 85 VAL CA C 60.82 0.59 1 802 85 85 VAL CB C 31.96 0.46 1 803 85 85 VAL N N 120.02 3.94 1 804 86 86 PRO HA H 4.38 0.12 1 805 86 86 PRO HB2 H 2.2 0.12 2 806 86 86 PRO HB3 H 2.13 0.16 2 807 86 86 PRO HG2 H 2.09 0.12 2 808 86 86 PRO HG3 H 2.06 0.13 2 809 86 86 PRO HD2 H 3.64 0.09 2 810 86 86 PRO HD3 H 3.79 0.09 2 811 86 86 PRO C C 176.84 0.59 1 812 86 86 PRO CA C 62.56 0.47 1 813 86 86 PRO CB C 31.25 1.05 1 814 87 87 PHE H H 8.62 0.37 1 815 87 87 PHE HA H 4.45 0.3 1 816 87 87 PHE HB2 H 3.07 0.07 2 817 87 87 PHE HB3 H 3.11 0.03 2 818 87 87 PHE C C 176.92 0.73 1 819 87 87 PHE CA C 59.06 1.34 1 820 87 87 PHE CB C 39.16 0.7 1 821 87 87 PHE N N 120.13 3.57 1 822 88 88 GLY H H 7.73 0.64 1 823 88 88 GLY HA2 H 3.93 0.16 2 824 88 88 GLY HA3 H 3.97 0.1 2 825 88 88 GLY C C 175.23 1.1 1 826 88 88 GLY CA C 45.93 1.44 1 827 88 88 GLY N N 108.83 3.65 1 828 89 89 ALA H H 8.3 0.42 1 829 89 89 ALA HA H 4.11 0.24 1 830 89 89 ALA HB H 1.35 0.07 1 831 89 89 ALA C C 179.09 0.5 1 832 89 89 ALA CA C 54.73 0.45 1 833 89 89 ALA CB C 18.51 0.57 1 834 89 89 ALA N N 124.95 2.69 1 835 90 90 ASN H H 8.07 0.24 1 836 90 90 ASN HA H 4.61 0.44 1 837 90 90 ASN HB2 H 2.82 0.17 2 838 90 90 ASN HB3 H 2.91 0.15 2 839 90 90 ASN HD21 H 6.8 0.37 2 840 90 90 ASN HD22 H 7.39 0.6 2 841 90 90 ASN C C 176.54 0.37 1 842 90 90 ASN CA C 55.49 0.97 1 843 90 90 ASN CB C 38.67 0.74 1 844 90 90 ASN N N 113.53 1.65 1 845 91 91 ASN H H 7.89 0.27 1 846 91 91 ASN HA H 4.39 0.13 1 847 91 91 ASN HB2 H 2.78 0.18 2 848 91 91 ASN HB3 H 2.92 0.14 2 849 91 91 ASN HD21 H 6.91 0.32 2 850 91 91 ASN HD22 H 7.75 0.57 2 851 91 91 ASN C C 175.99 0.53 1 852 91 91 ASN CA C 55.93 0.38 1 853 91 91 ASN CB C 38.88 0.62 1 854 91 91 ASN N N 116.83 1.16 1 855 92 92 ALA H H 7.68 0.25 1 856 92 92 ALA HA H 4.17 0.23 1 857 92 92 ALA HB H 1.25 0.18 1 858 92 92 ALA C C 176.92 0.66 1 859 92 92 ALA CA C 53.36 1.25 1 860 92 92 ALA CB C 19.27 0.76 1 861 92 92 ALA N N 120.37 1.18 1 862 93 93 PHE H H 7.68 0.32 1 863 93 93 PHE HA H 4.61 0.27 1 864 93 93 PHE HB2 H 3.04 0.09 2 865 93 93 PHE HB3 H 2.96 0.14 2 866 93 93 PHE C C 174.48 0.75 1 867 93 93 PHE CA C 57.01 1.35 1 868 93 93 PHE CB C 41.29 1.93 1 869 93 93 PHE N N 115.28 3.24 1 870 94 94 THR H H 8.18 0.79 1 871 94 94 THR HA H 3.97 0.47 1 872 94 94 THR HB H 4.19 0.28 1 873 94 94 THR HG2 H 1.18 0.15 1 874 94 94 THR C C 172.96 1.16 1 875 94 94 THR CA C 63.05 0.89 1 876 94 94 THR CB C 67.5 1.25 1 877 94 94 THR N N 118.64 3.91 1 878 95 95 MET H H 8.1 0.51 1 879 95 95 MET HA H 4.7 0.22 1 880 95 95 MET HB2 H 2.02 0.12 2 881 95 95 MET HB3 H 2.05 0.1 2 882 95 95 MET HG2 H 2.61 0.14 2 883 95 95 MET HG3 H 2.62 0.17 2 884 95 95 MET HE H 0.3 0.22 1 885 95 95 MET C C 173.61 1.02 1 886 95 95 MET CA C 53.26 0.82 1 887 95 95 MET CB C 34.59 1.6 1 888 95 95 MET N N 123.41 3.39 1 889 96 96 PRO HA H 4.65 0.25 1 890 96 96 PRO HB2 H 2.03 0.09 2 891 96 96 PRO HB3 H 2.07 0.14 2 892 96 96 PRO HG2 H 2.01 0.09 2 893 96 96 PRO HG3 H 2.05 0.18 2 894 96 96 PRO HD2 H 3.71 0.09 2 895 96 96 PRO HD3 H 3.58 0.49 2 896 96 96 PRO C C 175.78 0.59 1 897 96 96 PRO CA C 62.66 0.68 1 898 96 96 PRO CB C 32.34 0.87 1 899 97 97 LEU H H 8.23 0.23 1 900 97 97 LEU HA H 4.51 0.17 1 901 97 97 LEU HB2 H 1.7 0.1 2 902 97 97 LEU HB3 H 1.65 0.08 2 903 97 97 LEU HG H 1.59 0.07 1 904 97 97 LEU HD1 H 0.91 0.04 2 905 97 97 LEU HD2 H 0.76 0.13 2 906 97 97 LEU C C 175.56 0.43 1 907 97 97 LEU CA C 55.2 0.56 1 908 97 97 LEU CB C 42.64 0.87 1 909 97 97 LEU N N 121.89 1.21 1 910 98 98 HIS H H 8.38 0.31 1 911 98 98 HIS HA H 4.75 0.23 1 912 98 98 HIS HB2 H 3.17 0.09 2 913 98 98 HIS HB3 H 3.35 0.14 2 914 98 98 HIS HD2 H 5.54 0.19 1 915 98 98 HIS HE1 H 6.61 0.17 1 916 98 98 HIS C C 173.85 0.49 1 917 98 98 HIS CA C 54.65 0.76 1 918 98 98 HIS CB C 30.77 0.54 1 919 98 98 HIS N N 117.61 2.98 1 920 99 99 MET H H 8.54 0.17 1 921 99 99 MET HA H 4.54 0.28 1 922 99 99 MET HB2 H 2.02 0.14 2 923 99 99 MET HB3 H 1.95 0.11 2 924 99 99 MET HG2 H 2.54 0.17 2 925 99 99 MET HG3 H 2.47 0.22 2 926 99 99 MET HE H 0.26 0.1 1 927 99 99 MET C C 174.67 0.58 1 928 99 99 MET CA C 54.95 0.59 1 929 99 99 MET CB C 32.97 0.92 1 930 99 99 MET N N 124.15 1.79 1 931 100 100 THR H H 8.2 0.26 1 932 100 100 THR HA H 4.25 0.3 1 933 100 100 THR HB H 2.7 0.04 1 934 100 100 THR HG2 H 0.87 0.12 1 935 100 100 THR C C 173.41 0.47 1 936 100 100 THR CA C 59.71 0.36 1 937 100 100 THR CB C 72.01 0.62 1 938 100 100 THR N N 115.33 1.95 1 939 101 101 PHE H H 8.04 0.5 1 940 101 101 PHE HA H 4.95 0.25 1 941 101 101 PHE HB2 H 3.09 0.1 2 942 101 101 PHE HB3 H 3.1 0.1 2 943 101 101 PHE C C 175.28 0.38 1 944 101 101 PHE CA C 56.12 0.48 1 945 101 101 PHE CB C 39.86 0.45 1 946 101 101 PHE N N 125.78 2.24 1 947 102 102 TRP H H 8.68 0.3 1 948 102 102 TRP HA H 5.04 0.2 1 949 102 102 TRP HB2 H 3.33 0.06 2 950 102 102 TRP HB3 H 2.96 0.08 2 951 102 102 TRP C C 176.53 0.84 1 952 102 102 TRP CA C 55.64 0.35 1 953 102 102 TRP CB C 30.83 0.3 1 954 102 102 TRP N N 125.26 0.79 1 955 103 103 GLY H H 7.15 0.38 1 956 103 103 GLY HA2 H 4.37 0.09 2 957 103 103 GLY HA3 H 4.15 0.05 2 958 103 103 GLY C C 171.73 0.61 1 959 103 103 GLY CA C 45.58 0.95 1 960 103 103 GLY N N 107.7 1.16 1 961 104 104 LYS H H 7.92 0.25 1 962 104 104 LYS HA H 5.5 0.19 1 963 104 104 LYS HB2 H 2 0 2 964 104 104 LYS HB3 H 2.02 0.07 2 965 104 104 LYS HG2 H 1.48 0.05 2 966 104 104 LYS HG3 H 1.41 0.07 2 967 104 104 LYS HD2 H 1.71 0.06 2 968 104 104 LYS HD3 H 1.77 0.08 2 969 104 104 LYS HE2 H 3.23 0.1 2 970 104 104 LYS HE3 H 3.09 0.03 2 971 104 104 LYS C C 177 0.29 1 972 104 104 LYS CA C 54.14 0.56 1 973 104 104 LYS CB C 35.24 0.9 1 974 104 104 LYS N N 118.37 1.5 1 975 105 105 GLU H H 8.78 0.11 1 976 105 105 GLU HA H 4.14 0.09 1 977 105 105 GLU HB2 H 2.08 0.04 2 978 105 105 GLU HB3 H 2.04 0.03 2 979 105 105 GLU HG2 H 2.41 0.04 2 980 105 105 GLU HG3 H 2.45 0.05 2 981 105 105 GLU C C 178.61 0.24 1 982 105 105 GLU CA C 59.16 0.27 1 983 105 105 GLU CB C 29.41 0.26 1 984 105 105 GLU N N 120.48 0.62 1 985 106 106 GLU H H 8.3 0.07 1 986 106 106 GLU HA H 4.08 0.09 1 987 106 106 GLU HB2 H 2.06 0.06 2 988 106 106 GLU HB3 H 2.05 0.03 2 989 106 106 GLU HG2 H 2.36 0.04 2 990 106 106 GLU HG3 H 2.39 0.04 2 991 106 106 GLU C C 178.1 0.35 1 992 106 106 GLU CA C 59.16 0.39 1 993 106 106 GLU CB C 29.81 0.12 1 994 106 106 GLU N N 117.66 0.69 1 995 107 107 ASN H H 8.13 0.09 1 996 107 107 ASN HA H 4.66 0.06 1 997 107 107 ASN HB2 H 3.01 0.14 2 998 107 107 ASN HB3 H 2.95 0.15 2 999 107 107 ASN HD21 H 6.54 0.47 2 1000 107 107 ASN HD22 H 7.66 0.27 2 1001 107 107 ASN C C 176.94 0.28 1 1002 107 107 ASN CA C 54.29 0.72 1 1003 107 107 ASN CB C 38.59 0.59 1 1004 107 107 ASN N N 115.32 0.59 1 1005 108 108 ARG H H 7.84 0.17 1 1006 108 108 ARG HA H 3.87 0.36 1 1007 108 108 ARG HB2 H 2.25 0.14 2 1008 108 108 ARG HB3 H 2.26 0.06 2 1009 108 108 ARG HG2 H 1.78 0.07 2 1010 108 108 ARG HG3 H 1.96 0.15 2 1011 108 108 ARG HD2 H 3.23 0.11 2 1012 108 108 ARG HD3 H 3.29 0.16 2 1013 108 108 ARG HE H 7.57 0.02 1 1014 108 108 ARG C C 178.18 0.27 1 1015 108 108 ARG CA C 59.39 0.18 1 1016 108 108 ARG CB C 29.74 0.51 1 1017 108 108 ARG N N 121.25 0.64 1 1018 109 109 LYS H H 8.02 0.2 1 1019 109 109 LYS HA H 3.91 0.08 1 1020 109 109 LYS HB2 H 1.96 0.15 2 1021 109 109 LYS HB3 H 1.94 0.13 2 1022 109 109 LYS HG2 H 1.49 0.04 2 1023 109 109 LYS HG3 H 1.58 0.11 2 1024 109 109 LYS HD2 H 1.6 0.2 2 1025 109 109 LYS HD3 H 1.78 0.07 2 1026 109 109 LYS HE2 H 3.05 0.09 2 1027 109 109 LYS HE3 H 2.96 0.05 2 1028 109 109 LYS C C 178.56 0.25 1 1029 109 109 LYS CA C 59.7 0.21 1 1030 109 109 LYS CB C 32.37 0.18 1 1031 109 109 LYS N N 118.08 0.86 1 1032 110 110 ALA H H 7.8 0.12 1 1033 110 110 ALA HA H 4.06 0.12 1 1034 110 110 ALA HB H 1.41 0.03 1 1035 110 110 ALA C C 179.49 0.21 1 1036 110 110 ALA CA C 54.87 0.29 1 1037 110 110 ALA CB C 18.63 0.21 1 1038 110 110 ALA N N 120.7 0.73 1 1039 111 111 VAL H H 7.91 0.14 1 1040 111 111 VAL HA H 3.42 0.07 1 1041 111 111 VAL HB H 1.38 0.24 1 1042 111 111 VAL HG1 H 0.4 0.28 2 1043 111 111 VAL HG2 H 0.64 0.15 2 1044 111 111 VAL C C 178.36 0.19 1 1045 111 111 VAL CA C 66.16 0.43 1 1046 111 111 VAL CB C 31.4 0.15 1 1047 111 111 VAL N N 117.04 0.42 1 1048 112 112 SER H H 8.01 0.23 1 1049 112 112 SER HA H 4.13 0.06 1 1050 112 112 SER HB2 H 4.03 0.1 2 1051 112 112 SER HB3 H 3.98 0.07 2 1052 112 112 SER C C 175.87 0.33 1 1053 112 112 SER CA C 61.25 0.26 1 1054 112 112 SER CB C 62.15 0.4 1 1055 112 112 SER N N 113.41 0.97 1 1056 113 113 ASP H H 7.77 0.32 1 1057 113 113 ASP HA H 4.3 0.07 1 1058 113 113 ASP HB2 H 2.91 0.06 2 1059 113 113 ASP HB3 H 2.78 0.07 2 1060 113 113 ASP C C 178.2 0.19 1 1061 113 113 ASP CA C 57.3 0.15 1 1062 113 113 ASP CB C 41.02 0.16 1 1063 113 113 ASP N N 120.21 1.28 1 1064 114 114 GLN H H 8.1 0.17 1 1065 114 114 GLN HA H 3.9 0.1 1 1066 114 114 GLN HB2 H 2.08 0.12 2 1067 114 114 GLN HB3 H 2.13 0.12 2 1068 114 114 GLN HG2 H 2.35 0.14 2 1069 114 114 GLN HG3 H 2.59 0.15 2 1070 114 114 GLN HE21 H 7.49 0.13 2 1071 114 114 GLN HE22 H 6.77 0.13 2 1072 114 114 GLN C C 178.27 0.16 1 1073 114 114 GLN CA C 58.85 0.14 1 1074 114 114 GLN CB C 28.55 0.16 1 1075 114 114 GLN N N 118.13 0.15 1 1076 115 115 LEU H H 8.0 0.13 1 1077 115 115 LEU HA H 4.01 0.14 1 1078 115 115 LEU HB2 H 1.93 0.1 2 1079 115 115 LEU HB3 H 1.81 0.1 2 1080 115 115 LEU HG H 1.67 0.18 1 1081 115 115 LEU HD1 H 0.95 0.11 2 1082 115 115 LEU HD2 H 0.47 0.28 2 1083 115 115 LEU C C 179.36 0.28 1 1084 115 115 LEU CA C 57.72 0.23 1 1085 115 115 LEU CB C 41.67 0.24 1 1086 115 115 LEU N N 122 0.86 1 1087 116 116 LYS H H 7.44 0.16 1 1088 116 116 LYS HA H 4.42 0.34 1 1089 116 116 LYS HB2 H 1.83 0.29 2 1090 116 116 LYS HB3 H 1.94 0.15 2 1091 116 116 LYS HG2 H 1.61 0.16 2 1092 116 116 LYS HG3 H 1.34 0.12 2 1093 116 116 LYS HD2 H 1.7 0.14 2 1094 116 116 LYS HD3 H 1.65 0.19 2 1095 116 116 LYS HE2 H 3.08 0.09 2 1096 116 116 LYS HE3 H 3.02 0.17 2 1097 116 116 LYS C C 178.94 0.11 1 1098 116 116 LYS CA C 58.85 0.41 1 1099 116 116 LYS CB C 32.64 0.22 1 1100 116 116 LYS N N 117.59 0.85 1 1101 117 117 LYS H H 7.45 0.24 1 1102 117 117 LYS HA H 4.0 0.0 1 1103 117 117 LYS HB2 H 1.72 0.14 2 1104 117 117 LYS HB3 H 1.77 0.07 2 1105 117 117 LYS HG2 H 1.58 0.11 2 1106 117 117 LYS HG3 H 1.5 0.08 2 1107 117 117 LYS HD2 H 1.64 0.05 2 1108 117 117 LYS HD3 H 1.6 0.04 2 1109 117 117 LYS HE2 H 3.04 0.11 2 1110 117 117 LYS HE3 H 3.1 0.08 2 1111 117 117 LYS C C 178.39 0.24 1 1112 117 117 LYS CA C 59.59 0.19 1 1113 117 117 LYS CB C 32.01 0.06 1 1114 117 117 LYS N N 119.38 0.54 1 1115 118 118 HIS H H 7.92 0.24 1 1116 118 118 HIS HA H 4.42 0.1 1 1117 118 118 HIS HB2 H 3.2 0.12 2 1118 118 118 HIS HB3 H 3.33 0.11 2 1119 118 118 HIS HD2 H 5.9 0.13 1 1120 118 118 HIS HE1 H 7.17 0.02 1 1121 118 118 HIS C C 175.62 0.53 1 1122 118 118 HIS CA C 56.72 1.28 1 1123 118 118 HIS CB C 29.6 0.62 1 1124 118 118 HIS N N 116.08 1.15 1 1125 119 119 GLY H H 7.12 0.72 1 1126 119 119 GLY HA2 H 3.95 0.16 2 1127 119 119 GLY HA3 H 3.82 0.19 2 1128 119 119 GLY C C 172.26 1.21 1 1129 119 119 GLY CA C 44.88 0.48 1 1130 119 119 GLY N N 110.44 3.33 1 1131 120 120 PHE H H 8.05 0.72 1 1132 120 120 PHE HA H 4.73 0.26 1 1133 120 120 PHE HB2 H 3.04 0.1 2 1134 120 120 PHE HB3 H 2.97 0.06 2 1135 120 120 PHE C C 175.24 1.13 1 1136 120 120 PHE CA C 56.24 0.57 1 1137 120 120 PHE CB C 40.47 1.58 1 1138 120 120 PHE N N 119.31 3.36 1 1139 121 121 LYS H H 8.37 0.49 1 1140 121 121 LYS HA H 4.23 0.14 1 1141 121 121 LYS HB2 H 1.74 0.16 2 1142 121 121 LYS HB3 H 1.76 0.12 2 1143 121 121 LYS HG2 H 1.48 0.11 2 1144 121 121 LYS HG3 H 1.55 0.13 2 1145 121 121 LYS HD2 H 1.72 0.1 2 1146 121 121 LYS HD3 H 1.74 0.19 2 1147 121 121 LYS HE2 H 3.01 0.14 2 1148 121 121 LYS HE3 H 2.88 0.14 2 1149 121 121 LYS C C 176.81 0.2 1 1150 121 121 LYS CA C 55.7 0.65 1 1151 121 121 LYS CB C 32.91 0.56 1 1152 121 121 LYS N N 123.88 1.69 1 1153 122 122 LEU H H 8.43 0.13 1 1154 122 122 LEU HA H 4.16 0.08 1 1155 122 122 LEU HB2 H 1.63 0.04 2 1156 122 122 LEU HB3 H 1.56 0.03 2 1157 122 122 LEU HG H 1.53 0.11 1 1158 122 122 LEU HD1 H 0.9 0.06 2 1159 122 122 LEU HD2 H 0.87 0.1 2 1160 122 122 LEU C C 176.44 0.67 1 1161 122 122 LEU CA C 55.47 0.12 1 1162 122 122 LEU CB C 42.05 0.23 1 1163 122 122 LEU N N 122.9 0.99 1 stop_ save_