data_4869 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HMG PROTEIN NHP6A FROM SACCHAROMYCES CEREVISIAE ; _BMRB_accession_number 4869 _BMRB_flat_file_name bmr4869.str _Entry_type original _Submission_date 2000-10-19 _Accession_date 2000-10-19 _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 Allain F. H.T. . 2 Yen Y. M. . 3 Masse J. E. . 4 Schultze P. . . 5 Dieckmann T. . . 6 Johnson R. C. . 7 Feigon J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 480 "13C chemical shifts" 249 "15N chemical shifts" 83 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-11-14 original author . stop_ _Original_release_date 2001-11-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the Hmg Protein Nhp6A and its Interaction with DNA Reveals the Structural Determinants for Non-sequence-specific Binding ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99246280 _PubMed_ID 10228169 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Allain F. H.T. . 2 Yen Y. M. . 3 Masse J. M. . 4 Schultze P. . . 5 Dieckmann T. . . 6 Johnson R. C. . 7 Feigon J. . . stop_ _Journal_abbreviation 'EMBO J.' _Journal_volume 18 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2563 _Page_last 2579 _Year 1999 _Details . loop_ _Keyword 'HMG BOX' 'DNA BENDING' 'DNA RECOGNITION' CHROMATIN NMR stop_ save_ ################################## # Molecular system description # ################################## save_system_nhp6a _Saveframe_category molecular_system _Mol_system_name 'NON HISTONE PROTEIN 6 A' _Abbreviation_common nhp6a _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label nhp6a $nhp6a stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_nhp6a _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PROTEIN (NON HISTONE PROTEIN 6 A)' _Abbreviation_common nhp6a _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 93 _Mol_residue_sequence ; MVTPREPKKRTTRKKKDPNA PKRALSAYMFFANENRDIVR SENPDITFGQVGKKLGEKWK ALTPEEKQPYEAKAQADKKR YESEKELYNATLA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 THR 4 PRO 5 ARG 6 GLU 7 PRO 8 LYS 9 LYS 10 ARG 11 THR 12 THR 13 ARG 14 LYS 15 LYS 16 LYS 17 ASP 18 PRO 19 ASN 20 ALA 21 PRO 22 LYS 23 ARG 24 ALA 25 LEU 26 SER 27 ALA 28 TYR 29 MET 30 PHE 31 PHE 32 ALA 33 ASN 34 GLU 35 ASN 36 ARG 37 ASP 38 ILE 39 VAL 40 ARG 41 SER 42 GLU 43 ASN 44 PRO 45 ASP 46 ILE 47 THR 48 PHE 49 GLY 50 GLN 51 VAL 52 GLY 53 LYS 54 LYS 55 LEU 56 GLY 57 GLU 58 LYS 59 TRP 60 LYS 61 ALA 62 LEU 63 THR 64 PRO 65 GLU 66 GLU 67 LYS 68 GLN 69 PRO 70 TYR 71 GLU 72 ALA 73 LYS 74 ALA 75 GLN 76 ALA 77 ASP 78 LYS 79 LYS 80 ARG 81 TYR 82 GLU 83 SER 84 GLU 85 LYS 86 GLU 87 LEU 88 TYR 89 ASN 90 ALA 91 THR 92 LEU 93 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-18 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1CG7 "Hmg Protein Nhp6a From Saccharomyces Cerevisiae" 98.92 93 100.00 100.00 2.30e-58 PDB 1J5N "Solution Structure Of The Non-Sequence-Specific Hmgb Protein Nhp6a In Complex With Sry Dna" 100.00 93 100.00 100.00 1.87e-59 PDB 1LWM "Solution Structure Of The Sequence-Non-Specific Hmgb Protein Nhp6a" 100.00 93 100.00 100.00 1.87e-59 DBJ GAA27020 "K7_Nhp6ap [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 93 98.92 98.92 9.60e-59 EMBL CAA33377 "unnamed protein product [Saccharomyces cerevisiae]" 100.00 93 100.00 100.00 1.87e-59 EMBL CAA89171 "Nhp6ap [Saccharomyces cerevisiae]" 100.00 93 100.00 100.00 1.87e-59 EMBL CAA94998 "Nhp6ap [Saccharomyces cerevisiae]" 100.00 93 100.00 100.00 1.87e-59 EMBL CAY87008 "Nhp6ap [Saccharomyces cerevisiae EC1118]" 100.00 93 98.92 98.92 9.60e-59 GB AAA34754 "high mobility group non-histone protein [Saccharomyces cerevisiae]" 100.00 93 100.00 100.00 1.87e-59 GB AAT93249 "YPR052C [Saccharomyces cerevisiae]" 100.00 93 100.00 100.00 1.87e-59 GB AHY78218 "Nhp6ap [Saccharomyces cerevisiae YJM993]" 100.00 93 98.92 98.92 9.60e-59 GB EDN61184 "nonhistone chromosomal protein [Saccharomyces cerevisiae YJM789]" 100.00 93 98.92 98.92 9.60e-59 GB EDV11256 "11 kDa nonhistone chromosomal protein [Saccharomyces cerevisiae RM11-1a]" 100.00 93 98.92 98.92 9.60e-59 REF NP_015377 "Nhp6ap [Saccharomyces cerevisiae S288c]" 100.00 93 100.00 100.00 1.87e-59 SP P11632 "RecName: Full=Non-histone chromosomal protein 6A [Saccharomyces cerevisiae S288c]" 100.00 93 100.00 100.00 1.87e-59 TPG DAA11475 "TPA: Nhp6ap [Saccharomyces cerevisiae S288c]" 100.00 93 100.00 100.00 1.87e-59 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $nhp6a yeast 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $nhp6a 'recombinant technology' . Escherichia coli . . 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 $nhp6a 1.0 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_DYANA _Saveframe_category software _Name DYANA _Version . loop_ _Task refinement 'structure calculation' stop_ _Details GUNTERT,WUTHRICH save_ save_FELIX _Saveframe_category software _Name FELIX _Version . loop_ _Task 'resonance assignments' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Task 'NOE cross-peaks assignments' stop_ _Details . save_ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version . loop_ _Task 'data processing' 'data acquisitions' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_and_13C-separated_3D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N and 13C-separated 3D NOESY' _Sample_label . save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label . save_ save_3D_HN(CO)CACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label . save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_3D_15N-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-TOCSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N and 13C-separated 3D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 0.1 n/a temperature 293 1.0 K 'ionic strength' 100 1.0 mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name nhp6a _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 . 10 ARG H H 8.42 0.01 1 2 . 10 ARG HA H 4.30 0.01 1 3 . 10 ARG HB2 H 1.80 0.01 1 4 . 10 ARG HB3 H 1.80 0.01 1 5 . 10 ARG CA C 53.0 0.1 1 6 . 10 ARG CB C 27.9 0.1 1 7 . 10 ARG N N 123.6 0.1 1 8 . 11 THR H H 8.36 0.01 1 9 . 11 THR HA H 4.28 0.01 1 10 . 11 THR HB H 4.17 0.01 1 11 . 11 THR HG2 H 1.17 0.01 1 12 . 11 THR CA C 58.6 0.1 1 13 . 11 THR CB C 67.0 0.1 1 14 . 11 THR N N 116.3 0.1 1 15 . 12 THR H H 8.28 0.01 1 16 . 12 THR HA H 4.39 0.01 1 17 . 12 THR HB H 4.16 0.01 1 18 . 12 THR HG2 H 1.17 0.01 1 19 . 12 THR N N 117.1 0.1 1 20 . 17 ASP H H 8.44 0.01 1 21 . 17 ASP HA H 4.84 0.01 1 22 . 17 ASP HB2 H 2.79 0.01 2 23 . 17 ASP HB3 H 2.56 0.01 2 24 . 17 ASP CA C 49.0 0.1 1 25 . 17 ASP CB C 38.4 0.1 1 26 . 17 ASP N N 124.0 0.1 1 27 . 18 PRO HA H 4.37 0.01 1 28 . 18 PRO HB2 H 2.23 0.01 2 29 . 18 PRO HB3 H 1.95 0.01 2 30 . 18 PRO HG2 H 1.96 0.01 1 31 . 18 PRO HG3 H 1.96 0.01 1 32 . 18 PRO HD2 H 3.77 0.01 2 33 . 18 PRO HD3 H 3.84 0.01 2 34 . 18 PRO CA C 60.7 0.1 1 35 . 18 PRO CB C 29.3 0.1 1 36 . 18 PRO CG C 24.0 0.1 1 37 . 18 PRO CD C 47.8 0.1 1 38 . 19 ASN H H 8.43 0.01 1 39 . 19 ASN HA H 4.65 0.01 1 40 . 19 ASN HB2 H 2.70 0.01 1 41 . 19 ASN HB3 H 2.70 0.01 1 42 . 19 ASN HD21 H 7.72 0.01 1 43 . 19 ASN HD22 H 6.96 0.01 1 44 . 19 ASN CA C 49.9 0.1 1 45 . 19 ASN CB C 35.0 0.1 1 46 . 19 ASN N N 117.6 0.1 1 47 . 19 ASN ND2 N 113.5 0.1 1 48 . 20 ALA H H 7.68 0.01 1 49 . 20 ALA HA H 3.46 0.01 1 50 . 20 ALA HB H 1.07 0.01 1 51 . 20 ALA CA C 47.5 0.1 1 52 . 20 ALA CB C 14.1 0.1 1 53 . 20 ALA N N 124.2 0.1 1 54 . 21 PRO HA H 4.31 0.01 1 55 . 21 PRO HB2 H 2.26 0.01 1 56 . 21 PRO HB3 H 2.26 0.01 1 57 . 21 PRO HG2 H 1.57 0.01 1 58 . 21 PRO HG3 H 1.57 0.01 1 59 . 21 PRO HD2 H 3.09 0.01 2 60 . 21 PRO HD3 H 2.98 0.01 2 61 . 21 PRO CA C 59.7 0.1 1 62 . 21 PRO CB C 28.8 0.1 1 63 . 21 PRO CG C 23.5 0.1 1 64 . 21 PRO CD C 47.0 0.1 1 65 . 22 LYS H H 8.94 0.01 1 66 . 22 LYS HA H 4.22 0.01 1 67 . 22 LYS HB2 H 1.81 0.01 2 68 . 22 LYS HB3 H 1.73 0.01 2 69 . 22 LYS HG2 H 1.49 0.01 1 70 . 22 LYS HG3 H 1.49 0.01 1 71 . 22 LYS HD2 H 1.65 0.01 1 72 . 22 LYS HD3 H 1.65 0.01 1 73 . 22 LYS HE2 H 2.96 0.01 1 74 . 22 LYS HE3 H 2.96 0.01 1 75 . 22 LYS CA C 58.8 0.1 1 76 . 22 LYS CB C 29.4 0.1 1 77 . 22 LYS CG C 21.7 0.1 1 78 . 22 LYS N N 123.9 0.1 1 79 . 23 ARG H H 8.33 0.01 1 80 . 23 ARG HA H 3.45 0.01 1 81 . 23 ARG HB2 H 1.55 0.01 1 82 . 23 ARG HB3 H 1.55 0.01 1 83 . 23 ARG HG2 H 1.50 0.01 1 84 . 23 ARG HG3 H 1.50 0.01 1 85 . 23 ARG HD2 H 3.03 0.01 1 86 . 23 ARG HD3 H 3.03 0.01 1 87 . 23 ARG CA C 53.5 0.1 1 88 . 23 ARG CB C 27.3 0.1 1 89 . 23 ARG CG C 24.1 0.1 1 90 . 23 ARG CD C 40.6 0.1 1 91 . 23 ARG N N 122.8 0.1 1 92 . 24 ALA H H 7.41 0.01 1 93 . 24 ALA HA H 4.20 0.01 1 94 . 24 ALA HB H 1.16 0.01 1 95 . 24 ALA CA C 48.5 0.1 1 96 . 24 ALA CB C 15.8 0.1 1 97 . 24 ALA N N 123.5 0.1 1 98 . 25 LEU H H 9.17 0.01 1 99 . 25 LEU HA H 4.28 0.01 1 100 . 25 LEU HB2 H 1.26 0.01 2 101 . 25 LEU HB3 H 0.83 0.01 2 102 . 25 LEU HG H 1.39 0.01 1 103 . 25 LEU HD1 H 0.27 0.01 2 104 . 25 LEU HD2 H 0.23 0.01 2 105 . 25 LEU CA C 51.4 0.1 1 106 . 25 LEU CB C 40.0 0.1 1 107 . 25 LEU CG C 24.0 0.1 1 108 . 25 LEU CD1 C 20.6 0.1 2 109 . 25 LEU CD2 C 21.4 0.1 2 110 . 25 LEU N N 125.3 0.1 1 111 . 26 SER H H 7.65 0.01 1 112 . 26 SER HA H 4.49 0.01 1 113 . 26 SER HB2 H 3.98 0.01 1 114 . 26 SER HB3 H 4.38 0.01 1 115 . 26 SER CA C 53.8 0.1 1 116 . 26 SER CB C 62.5 0.1 1 117 . 26 SER N N 116.3 0.1 1 118 . 27 ALA H H 9.04 0.01 1 119 . 27 ALA HA H 4.17 0.01 1 120 . 27 ALA HB H 1.61 0.01 1 121 . 27 ALA CA C 52.9 0.1 1 122 . 27 ALA CB C 15.4 0.1 1 123 . 27 ALA N N 123.4 0.1 1 124 . 28 TYR H H 8.32 0.01 1 125 . 28 TYR HA H 2.34 0.01 1 126 . 28 TYR HB2 H 2.09 0.01 2 127 . 28 TYR HB3 H 2.00 0.01 2 128 . 28 TYR HD1 H 6.06 0.01 1 129 . 28 TYR HD2 H 6.06 0.01 1 130 . 28 TYR HE1 H 6.48 0.01 1 131 . 28 TYR HE2 H 6.48 0.01 1 132 . 28 TYR CA C 57.0 0.1 1 133 . 28 TYR CB C 34.8 0.1 1 134 . 28 TYR CD1 C 130.4 0.1 1 135 . 28 TYR CD2 C 130.4 0.1 1 136 . 28 TYR CE1 C 114.7 0.1 1 137 . 28 TYR CE2 C 114.7 0.1 1 138 . 28 TYR N N 115.5 0.1 1 139 . 29 MET H H 7.46 0.01 1 140 . 29 MET HA H 3.64 0.01 1 141 . 29 MET HB2 H 2.58 0.01 2 142 . 29 MET HB3 H 2.47 0.01 2 143 . 29 MET HG2 H 1.70 0.01 2 144 . 29 MET HG3 H 1.98 0.01 2 145 . 29 MET HE H 1.92 0.01 1 146 . 29 MET CA C 55.4 0.1 1 147 . 29 MET CB C 29.9 0.1 1 148 . 29 MET CG C 30.5 0.1 1 149 . 29 MET CE C 14.4 0.1 1 150 . 29 MET N N 117.5 0.1 1 151 . 30 PHE H H 7.86 0.01 1 152 . 30 PHE HA H 4.09 0.01 1 153 . 30 PHE HB2 H 3.35 0.01 2 154 . 30 PHE HB3 H 3.26 0.01 2 155 . 30 PHE HD1 H 7.30 0.01 1 156 . 30 PHE HD2 H 7.30 0.01 1 157 . 30 PHE HE1 H 7.25 0.01 1 158 . 30 PHE HE2 H 7.25 0.01 1 159 . 30 PHE HZ H 7.05 0.01 1 160 . 30 PHE CA C 61.3 0.1 1 161 . 30 PHE CB C 36.8 0.1 1 162 . 30 PHE N N 117.2 0.1 1 163 . 31 PHE H H 7.71 0.01 1 164 . 31 PHE HA H 4.11 0.01 1 165 . 31 PHE HB2 H 3.52 0.01 2 166 . 31 PHE HB3 H 3.36 0.01 2 167 . 31 PHE HD1 H 6.60 0.01 1 168 . 31 PHE HD2 H 6.60 0.01 1 169 . 31 PHE HE1 H 7.50 0.01 1 170 . 31 PHE HE2 H 7.50 0.01 1 171 . 31 PHE HZ H 7.10 0.01 1 172 . 31 PHE CA C 58.7 0.1 1 173 . 31 PHE CB C 36.0 0.1 1 174 . 31 PHE CD1 C 129.5 0.1 1 175 . 31 PHE CD2 C 129.5 0.1 1 176 . 31 PHE CE1 C 129.6 0.1 1 177 . 31 PHE CE2 C 129.6 0.1 1 178 . 31 PHE CZ C 126.1 0.1 1 179 . 31 PHE N N 121.0 0.1 1 180 . 32 ALA H H 9.21 0.01 1 181 . 32 ALA HA H 3.40 0.01 1 182 . 32 ALA HB H 0.88 0.01 1 183 . 32 ALA CA C 52.2 0.1 1 184 . 32 ALA CB C 14.5 0.1 1 185 . 32 ALA N N 125.4 0.1 1 186 . 33 ASN H H 8.23 0.01 1 187 . 33 ASN HA H 4.26 0.01 1 188 . 33 ASN HB2 H 2.76 0.01 2 189 . 33 ASN HB3 H 2.83 0.01 2 190 . 33 ASN HD21 H 6.59 0.01 1 191 . 33 ASN HD22 H 7.37 0.01 1 192 . 33 ASN CA C 52.4 0.1 1 193 . 33 ASN CB C 34.1 0.1 1 194 . 33 ASN N N 115.2 0.1 1 195 . 33 ASN ND2 N 110.8 0.1 1 196 . 34 GLU H H 7.57 0.01 1 197 . 34 GLU HA H 4.13 0.01 1 198 . 34 GLU HB2 H 1.98 0.01 1 199 . 34 GLU HB3 H 1.98 0.01 1 200 . 34 GLU HG2 H 2.21 0.01 2 201 . 34 GLU HG3 H 2.48 0.01 2 202 . 34 GLU CA C 54.4 0.1 1 203 . 34 GLU CB C 29.1 0.1 1 204 . 34 GLU CG C 33.0 0.1 1 205 . 34 GLU N N 116.9 0.1 1 206 . 35 ASN H H 7.37 0.01 1 207 . 35 ASN HA H 4.68 0.01 1 208 . 35 ASN HB2 H 2.10 0.01 2 209 . 35 ASN HB3 H 1.54 0.01 2 210 . 35 ASN HD21 H 6.73 0.01 1 211 . 35 ASN HD22 H 6.60 0.01 1 212 . 35 ASN CA C 51.6 0.1 1 213 . 35 ASN CB C 38.1 0.1 1 214 . 35 ASN N N 113.4 0.1 1 215 . 35 ASN ND2 N 115.6 0.1 1 216 . 36 ARG H H 8.05 0.01 1 217 . 36 ARG HA H 4.32 0.01 1 218 . 36 ARG HB2 H 1.69 0.01 1 219 . 36 ARG HB3 H 1.69 0.01 1 220 . 36 ARG HG2 H 1.43 0.01 1 221 . 36 ARG HG3 H 1.43 0.01 1 222 . 36 ARG HD2 H 3.12 0.01 1 223 . 36 ARG HD3 H 3.12 0.01 1 224 . 36 ARG HE H 7.16 0.01 1 225 . 36 ARG CA C 58.3 0.1 1 226 . 36 ARG CB C 26.2 0.1 1 227 . 36 ARG N N 123.5 0.1 1 228 . 37 ASP H H 8.55 0.01 1 229 . 37 ASP HA H 4.41 0.01 1 230 . 37 ASP HB2 H 2.54 0.01 2 231 . 37 ASP HB3 H 2.61 0.01 2 232 . 37 ASP CA C 54.0 0.1 1 233 . 37 ASP CB C 36.6 0.1 1 234 . 37 ASP N N 116.3 0.1 1 235 . 38 ILE H H 7.47 0.01 1 236 . 38 ILE HA H 3.81 0.01 1 237 . 38 ILE HB H 1.84 0.01 1 238 . 38 ILE HG12 H 1.13 0.01 2 239 . 38 ILE HG13 H 1.53 0.01 2 240 . 38 ILE HG2 H 0.85 0.01 1 241 . 38 ILE HD1 H 0.88 0.01 1 242 . 38 ILE CA C 61.3 0.1 1 243 . 38 ILE CB C 35.0 0.1 1 244 . 38 ILE CG1 C 25.5 0.1 1 245 . 38 ILE CG2 C 14.0 0.1 1 246 . 38 ILE CD1 C 10.0 0.1 1 247 . 38 ILE N N 122.1 0.1 1 248 . 39 VAL H H 7.76 0.01 1 249 . 39 VAL HA H 3.69 0.01 1 250 . 39 VAL HB H 1.98 0.01 1 251 . 39 VAL HG1 H 0.91 0.01 1 252 . 39 VAL HG2 H 0.91 0.01 1 253 . 39 VAL CA C 63.2 0.1 1 254 . 39 VAL CB C 28.3 0.1 1 255 . 39 VAL CG1 C 19.9 0.1 1 256 . 39 VAL CG2 C 19.9 0.1 1 257 . 39 VAL N N 120.0 0.1 1 258 . 40 ARG H H 8.29 0.01 1 259 . 40 ARG HA H 3.91 0.01 1 260 . 40 ARG HB2 H 1.87 0.01 1 261 . 40 ARG HB3 H 1.87 0.01 1 262 . 40 ARG HG2 H 1.53 0.01 2 263 . 40 ARG HG3 H 1.74 0.01 2 264 . 40 ARG HD2 H 3.13 0.01 1 265 . 40 ARG HD3 H 3.13 0.01 1 266 . 40 ARG HE H 7.21 0.01 1 267 . 40 ARG CA C 56.4 0.1 1 268 . 40 ARG CB C 27.0 0.1 1 269 . 40 ARG CG C 24.5 0.1 1 270 . 40 ARG CD C 40.4 0.1 1 271 . 40 ARG N N 119.4 0.1 1 272 . 41 SER H H 7.94 0.01 1 273 . 41 SER HA H 4.12 0.01 1 274 . 41 SER HB2 H 3.95 0.01 1 275 . 41 SER HB3 H 3.95 0.01 1 276 . 41 SER CA C 58.3 0.1 1 277 . 41 SER CB C 59.8 0.1 1 278 . 41 SER N N 113.8 0.1 1 279 . 42 GLU H H 7.69 0.01 1 280 . 42 GLU HA H 4.14 0.01 1 281 . 42 GLU HB2 H 1.98 0.01 1 282 . 42 GLU HB3 H 1.98 0.01 1 283 . 42 GLU HG2 H 2.23 0.01 2 284 . 42 GLU HG3 H 2.57 0.01 2 285 . 42 GLU CA C 54.0 0.1 1 286 . 42 GLU CB C 27.6 0.1 1 287 . 42 GLU CG C 34.2 0.1 1 288 . 42 GLU N N 118.1 0.1 1 289 . 43 ASN H H 7.36 0.01 1 290 . 43 ASN HA H 5.15 0.01 1 291 . 43 ASN HB2 H 2.45 0.01 2 292 . 43 ASN HB3 H 2.66 0.01 2 293 . 43 ASN HD21 H 7.57 0.01 1 294 . 43 ASN HD22 H 8.05 0.01 1 295 . 43 ASN CA C 48.0 0.1 1 296 . 43 ASN CB C 38.2 0.1 1 297 . 43 ASN N N 115.1 0.1 1 298 . 44 PRO HA H 4.40 0.01 1 299 . 44 PRO HB2 H 1.92 0.01 2 300 . 44 PRO HB3 H 2.25 0.01 2 301 . 44 PRO HG2 H 1.92 0.01 1 302 . 44 PRO HG3 H 1.92 0.01 1 303 . 44 PRO HD2 H 3.42 0.01 2 304 . 44 PRO HD3 H 3.65 0.01 2 305 . 44 PRO CA C 61.4 0.1 1 306 . 44 PRO CB C 29.1 0.1 1 307 . 44 PRO CG C 24.5 0.1 1 308 . 44 PRO CD C 47.1 0.1 1 309 . 45 ASP H H 8.49 0.01 1 310 . 45 ASP HA H 4.61 0.01 1 311 . 45 ASP HB2 H 2.75 0.01 2 312 . 45 ASP HB3 H 2.62 0.01 2 313 . 45 ASP CA C 51.4 0.1 1 314 . 45 ASP CB C 37.5 0.1 1 315 . 45 ASP N N 115.4 0.1 1 316 . 46 ILE H H 7.15 0.01 1 317 . 46 ILE HA H 4.46 0.01 1 318 . 46 ILE HB H 2.09 0.01 1 319 . 46 ILE HG12 H 1.48 0.01 1 320 . 46 ILE HG13 H 1.48 0.01 1 321 . 46 ILE HG2 H 0.82 0.01 1 322 . 46 ILE HD1 H 0.59 0.01 1 323 . 46 ILE CA C 58.3 0.1 1 324 . 46 ILE CB C 35.3 0.1 1 325 . 46 ILE CG1 C 22.4 0.1 1 326 . 46 ILE CG2 C 14.0 0.1 1 327 . 46 ILE CD1 C 11.4 0.1 1 328 . 46 ILE N N 115.4 0.1 1 329 . 47 THR H H 8.27 0.01 1 330 . 47 THR HA H 4.40 0.01 1 331 . 47 THR HB H 4.61 0.01 1 332 . 47 THR HG2 H 1.25 0.01 1 333 . 47 THR CA C 57.0 0.1 1 334 . 47 THR CB C 68.0 0.1 1 335 . 47 THR CG2 C 18.6 0.1 1 336 . 47 THR N N 113.4 0.1 1 337 . 48 PHE H H 8.88 0.01 1 338 . 48 PHE HA H 4.20 0.01 1 339 . 48 PHE HB2 H 3.05 0.01 2 340 . 48 PHE HB3 H 3.19 0.01 2 341 . 48 PHE HD1 H 7.24 0.01 1 342 . 48 PHE HD2 H 7.24 0.01 1 343 . 48 PHE HE1 H 7.25 0.01 1 344 . 48 PHE HE2 H 7.25 0.01 1 345 . 48 PHE HZ H 7.28 0.01 1 346 . 48 PHE CA C 58.0 0.1 1 347 . 48 PHE CB C 35.7 0.1 1 348 . 48 PHE N N 120.5 0.1 1 349 . 49 GLY H H 8.88 0.01 1 350 . 49 GLY HA2 H 3.89 0.01 2 351 . 49 GLY HA3 H 3.81 0.01 2 352 . 49 GLY CA C 43.5 0.1 1 353 . 49 GLY N N 107.3 0.1 1 354 . 50 GLN H H 7.75 0.01 1 355 . 50 GLN HA H 4.12 0.01 1 356 . 50 GLN HB2 H 2.07 0.01 1 357 . 50 GLN HB3 H 2.07 0.01 1 358 . 50 GLN HG2 H 2.32 0.01 2 359 . 50 GLN HG3 H 2.39 0.01 2 360 . 50 GLN HE21 H 7.50 0.01 1 361 . 50 GLN HE22 H 6.89 0.01 1 362 . 50 GLN CA C 54.3 0.1 1 363 . 50 GLN CB C 26.2 0.1 1 364 . 50 GLN CG C 32.7 0.1 1 365 . 50 GLN N N 121.5 0.1 1 366 . 50 GLN NE2 N 111.5 0.1 1 367 . 51 VAL H H 8.23 0.01 1 368 . 51 VAL HA H 3.38 0.01 1 369 . 51 VAL HB H 2.18 0.01 1 370 . 51 VAL HG1 H 0.90 0.01 2 371 . 51 VAL HG2 H 0.78 0.01 2 372 . 51 VAL CA C 63.9 0.1 1 373 . 51 VAL CB C 28.3 0.1 1 374 . 51 VAL CG1 C 20.6 0.1 1 375 . 51 VAL CG2 C 18.5 0.1 1 376 . 51 VAL N N 122.7 0.1 1 377 . 52 GLY H H 7.82 0.01 1 378 . 52 GLY HA2 H 3.92 0.01 2 379 . 52 GLY HA3 H 3.71 0.01 2 380 . 52 GLY CA C 44.6 0.1 1 381 . 52 GLY N N 104.9 0.1 1 382 . 53 LYS H H 7.62 0.01 1 383 . 53 LYS HA H 4.07 0.01 1 384 . 53 LYS HB2 H 1.85 0.01 1 385 . 53 LYS HB3 H 1.85 0.01 1 386 . 53 LYS HG2 H 1.43 0.01 1 387 . 53 LYS HG3 H 1.43 0.01 1 388 . 53 LYS CA C 55.8 0.1 1 389 . 53 LYS CB C 29.4 0.1 1 390 . 53 LYS CG C 23.8 0.1 1 391 . 53 LYS N N 121.9 0.1 1 392 . 54 LYS H H 7.99 0.01 1 393 . 54 LYS HA H 4.19 0.01 1 394 . 54 LYS HB2 H 1.93 0.01 2 395 . 54 LYS HB3 H 1.81 0.01 2 396 . 54 LYS HG2 H 1.45 0.01 1 397 . 54 LYS HG3 H 1.45 0.01 1 398 . 54 LYS HD2 H 1.65 0.01 1 399 . 54 LYS HD3 H 1.65 0.01 1 400 . 54 LYS CA C 56.0 0.1 1 401 . 54 LYS CB C 29.3 0.1 1 402 . 54 LYS CG C 22.3 0.1 1 403 . 54 LYS N N 119.8 0.1 1 404 . 55 LEU H H 8.65 0.01 1 405 . 55 LEU HA H 4.13 0.01 1 406 . 55 LEU HB2 H 2.27 0.01 1 407 . 55 LEU HB3 H 2.27 0.01 1 408 . 55 LEU HG H 1.72 0.01 1 409 . 55 LEU HD1 H 0.69 0.01 2 410 . 55 LEU HD2 H 0.56 0.01 2 411 . 55 LEU CA C 55.6 0.1 1 412 . 55 LEU CB C 39.5 0.1 1 413 . 55 LEU CG C 23.6 0.1 1 414 . 55 LEU CD1 C 23.1 0.1 2 415 . 55 LEU CD2 C 21.4 0.1 2 416 . 55 LEU N N 121.0 0.1 1 417 . 56 GLY H H 8.27 0.01 1 418 . 56 GLY HA2 H 3.96 0.01 2 419 . 56 GLY HA3 H 3.86 0.01 2 420 . 56 GLY CA C 44.7 0.1 1 421 . 56 GLY N N 106.5 0.1 1 422 . 57 GLU H H 7.95 0.01 1 423 . 57 GLU HA H 4.04 0.01 1 424 . 57 GLU HB2 H 2.12 0.01 2 425 . 57 GLU HB3 H 2.06 0.01 2 426 . 57 GLU HG2 H 2.39 0.01 2 427 . 57 GLU HG3 H 2.30 0.01 2 428 . 57 GLU CA C 56.0 0.1 1 429 . 57 GLU CB C 26.3 0.1 1 430 . 57 GLU CG C 33.3 0.1 1 431 . 57 GLU N N 122.0 0.1 1 432 . 58 LYS H H 8.35 0.01 1 433 . 58 LYS HA H 4.08 0.01 1 434 . 58 LYS HB2 H 2.15 0.01 2 435 . 58 LYS HB3 H 1.97 0.01 2 436 . 58 LYS HG2 H 1.56 0.01 1 437 . 58 LYS HG3 H 1.56 0.01 1 438 . 58 LYS HD2 H 1.70 0.01 1 439 . 58 LYS HD3 H 1.70 0.01 1 440 . 58 LYS HE2 H 2.92 0.01 1 441 . 58 LYS HE3 H 2.92 0.01 1 442 . 58 LYS CA C 56.4 0.1 1 443 . 58 LYS CB C 29.6 0.1 1 444 . 58 LYS N N 120.6 0.1 1 445 . 59 TRP H H 8.44 0.01 1 446 . 59 TRP HA H 3.68 0.01 1 447 . 59 TRP HB2 H 3.29 0.01 2 448 . 59 TRP HB3 H 3.17 0.01 2 449 . 59 TRP HD1 H 7.01 0.01 1 450 . 59 TRP HE1 H 10.12 0.01 1 451 . 59 TRP HE3 H 5.99 0.01 1 452 . 59 TRP HZ2 H 7.50 0.01 1 453 . 59 TRP HZ3 H 6.44 0.01 1 454 . 59 TRP HH2 H 6.99 0.01 1 455 . 59 TRP CA C 56.8 0.1 1 456 . 59 TRP CB C 27.3 0.1 1 457 . 59 TRP CD1 C 124.5 0.1 1 458 . 59 TRP CE3 C 118.9 0.1 1 459 . 59 TRP CZ2 C 111.4 0.1 1 460 . 59 TRP CZ3 C 118.9 0.1 1 461 . 59 TRP CH2 C 121.3 0.1 1 462 . 59 TRP N N 119.1 0.1 1 463 . 59 TRP NE1 N 127.7 0.1 1 464 . 60 LYS H H 7.61 0.01 1 465 . 60 LYS HA H 3.72 0.01 1 466 . 60 LYS HB2 H 1.83 0.01 1 467 . 60 LYS HB3 H 1.83 0.01 1 468 . 60 LYS HG2 H 1.44 0.01 2 469 . 60 LYS HG3 H 1.54 0.01 2 470 . 60 LYS HD2 H 1.61 0.01 1 471 . 60 LYS HD3 H 1.61 0.01 1 472 . 60 LYS HE2 H 2.92 0.01 1 473 . 60 LYS HE3 H 2.92 0.01 1 474 . 60 LYS CA C 55.8 0.1 1 475 . 60 LYS CB C 29.6 0.1 1 476 . 60 LYS CG C 22.7 0.1 1 477 . 60 LYS CD C 27.0 0.1 1 478 . 60 LYS CE C 39.0 0.1 1 479 . 60 LYS N N 115.2 0.1 1 480 . 61 ALA H H 7.11 0.01 1 481 . 61 ALA HA H 4.17 0.01 1 482 . 61 ALA HB H 1.40 0.01 1 483 . 61 ALA CA C 49.1 0.1 1 484 . 61 ALA CB C 16.2 0.1 1 485 . 61 ALA N N 117.4 0.1 1 486 . 62 LEU H H 7.01 0.01 1 487 . 62 LEU HA H 4.28 0.01 1 488 . 62 LEU HB2 H 1.20 0.01 1 489 . 62 LEU HB3 H 1.20 0.01 1 490 . 62 LEU HG H 1.88 0.01 1 491 . 62 LEU HD1 H 0.72 0.01 2 492 . 62 LEU HD2 H 0.50 0.01 2 493 . 62 LEU CA C 52.0 0.1 1 494 . 62 LEU CB C 39.2 0.1 1 495 . 62 LEU CG C 23.0 0.1 1 496 . 62 LEU CD1 C 19.2 0.1 2 497 . 62 LEU CD2 C 23.8 0.1 2 498 . 62 LEU N N 119.8 0.1 1 499 . 63 THR H H 8.91 0.01 1 500 . 63 THR HA H 4.42 0.01 1 501 . 63 THR HB H 4.72 0.01 1 502 . 63 THR HG2 H 1.32 0.01 1 503 . 63 THR CA C 57.5 0.1 1 504 . 63 THR CB C 65.5 0.1 1 505 . 63 THR CG2 C 18.9 0.1 1 506 . 63 THR N N 114.4 0.1 1 507 . 64 PRO HA H 4.00 0.01 1 508 . 64 PRO HB2 H 2.31 0.01 1 509 . 64 PRO HB3 H 2.31 0.01 1 510 . 64 PRO HG2 H 1.94 0.01 2 511 . 64 PRO HG3 H 1.86 0.01 2 512 . 64 PRO HD2 H 3.80 0.01 1 513 . 64 PRO HD3 H 3.80 0.01 1 514 . 64 PRO CA C 63.5 0.1 1 515 . 64 PRO CB C 28.8 0.1 1 516 . 64 PRO CG C 24.2 0.1 1 517 . 64 PRO CD C 47.1 0.1 1 518 . 65 GLU H H 8.70 0.01 1 519 . 65 GLU HA H 3.98 0.01 1 520 . 65 GLU HB2 H 2.03 0.01 2 521 . 65 GLU HB3 H 1.89 0.01 2 522 . 65 GLU HG2 H 2.20 0.01 1 523 . 65 GLU HG3 H 2.20 0.01 1 524 . 65 GLU CA C 58.3 0.1 1 525 . 65 GLU CB C 25.6 0.1 1 526 . 65 GLU CG C 33.7 0.1 1 527 . 65 GLU N N 116.0 0.1 1 528 . 66 GLU H H 7.62 0.01 1 529 . 66 GLU HA H 4.03 0.01 1 530 . 66 GLU HB2 H 2.06 0.01 1 531 . 66 GLU HB3 H 2.06 0.01 1 532 . 66 GLU HG2 H 2.27 0.01 2 533 . 66 GLU HG3 H 2.34 0.01 2 534 . 66 GLU CA C 56.0 0.1 1 535 . 66 GLU CB C 27.5 0.1 1 536 . 66 GLU CG C 33.9 0.1 1 537 . 66 GLU N N 119.0 0.1 1 538 . 67 LYS H H 7.90 0.01 1 539 . 67 LYS HA H 4.20 0.01 1 540 . 67 LYS HB2 H 1.61 0.01 1 541 . 67 LYS HB3 H 1.61 0.01 1 542 . 67 LYS CA C 56.6 0.1 1 543 . 67 LYS CB C 31.0 0.1 1 544 . 67 LYS N N 115.9 0.1 1 545 . 68 GLN H H 7.46 0.01 1 546 . 68 GLN HA H 4.09 0.01 1 547 . 68 GLN HB2 H 2.04 0.01 2 548 . 68 GLN HB3 H 1.54 0.01 2 549 . 68 GLN HG2 H 2.46 0.01 2 550 . 68 GLN HG3 H 2.55 0.01 2 551 . 68 GLN HE21 H 7.47 0.01 1 552 . 68 GLN HE22 H 6.85 0.01 1 553 . 68 GLN CA C 56.6 0.1 1 554 . 68 GLN CB C 27.1 0.1 1 555 . 68 GLN CG C 30.6 0.1 1 556 . 68 GLN N N 118.9 0.1 1 557 . 68 GLN NE2 N 111.0 0.1 1 558 . 69 PRO HA H 4.21 0.01 1 559 . 69 PRO HB2 H 2.12 0.01 2 560 . 69 PRO HB3 H 1.41 0.01 2 561 . 69 PRO HG2 H 1.80 0.01 2 562 . 69 PRO HG3 H 1.83 0.01 2 563 . 69 PRO HD2 H 3.83 0.01 2 564 . 69 PRO HD3 H 3.72 0.01 2 565 . 69 PRO CA C 62.9 0.1 1 566 . 69 PRO CB C 28.0 0.1 1 567 . 69 PRO CD C 46.9 0.1 1 568 . 70 TYR H H 7.15 0.01 1 569 . 70 TYR HA H 4.08 0.01 1 570 . 70 TYR HB2 H 3.36 0.01 2 571 . 70 TYR HB3 H 3.80 0.01 2 572 . 70 TYR HD1 H 7.32 0.01 1 573 . 70 TYR HD2 H 7.32 0.01 1 574 . 70 TYR HE1 H 7.09 0.01 1 575 . 70 TYR HE2 H 7.09 0.01 1 576 . 70 TYR CA C 59.0 0.1 1 577 . 70 TYR CB C 35.6 0.1 1 578 . 70 TYR CD1 C 129.0 0.1 1 579 . 70 TYR CD2 C 129.0 0.1 1 580 . 70 TYR CE1 C 114.7 0.1 1 581 . 70 TYR CE2 C 114.7 0.1 1 582 . 70 TYR N N 116.2 0.1 1 583 . 71 GLU H H 8.16 0.01 1 584 . 71 GLU HA H 4.21 0.01 1 585 . 71 GLU HB2 H 2.16 0.01 2 586 . 71 GLU HB3 H 2.25 0.01 2 587 . 71 GLU HG2 H 2.38 0.01 1 588 . 71 GLU HG3 H 2.38 0.01 1 589 . 71 GLU CA C 57.7 0.1 1 590 . 71 GLU CB C 25.6 0.1 1 591 . 71 GLU CG C 32.5 0.1 1 592 . 71 GLU N N 120.4 0.1 1 593 . 72 ALA H H 8.66 0.01 1 594 . 72 ALA HA H 4.16 0.01 1 595 . 72 ALA HB H 1.41 0.01 1 596 . 72 ALA CA C 52.4 0.1 1 597 . 72 ALA CB C 14.6 0.1 1 598 . 72 ALA N N 122.5 0.1 1 599 . 73 LYS H H 7.31 0.01 1 600 . 73 LYS HA H 3.65 0.01 1 601 . 73 LYS HB2 H 1.19 0.01 2 602 . 73 LYS HB3 H 0.21 0.01 2 603 . 73 LYS HG2 H 1.30 0.01 2 604 . 73 LYS HG3 H 0.96 0.01 2 605 . 73 LYS HD2 H 0.11 0.01 2 606 . 73 LYS HD3 H 1.16 0.01 2 607 . 73 LYS HE2 H 2.68 0.01 1 608 . 73 LYS HE3 H 2.68 0.01 1 609 . 73 LYS CA C 57.0 0.1 1 610 . 73 LYS CB C 27.8 0.1 1 611 . 73 LYS CG C 23.3 0.1 1 612 . 73 LYS CD C 27.9 0.1 1 613 . 73 LYS CE C 38.9 0.1 1 614 . 73 LYS N N 119.6 0.1 1 615 . 74 ALA H H 7.99 0.01 1 616 . 74 ALA HA H 4.38 0.01 1 617 . 74 ALA HB H 1.71 0.01 1 618 . 74 ALA CA C 52.7 0.1 1 619 . 74 ALA CB C 15.4 0.1 1 620 . 74 ALA N N 123.4 0.1 1 621 . 75 GLN H H 8.60 0.01 1 622 . 75 GLN HA H 4.12 0.01 1 623 . 75 GLN HB2 H 2.19 0.01 1 624 . 75 GLN HB3 H 2.19 0.01 1 625 . 75 GLN HG2 H 2.51 0.01 2 626 . 75 GLN HG3 H 2.56 0.01 2 627 . 75 GLN HE21 H 7.59 0.01 1 628 . 75 GLN HE22 H 6.91 0.01 1 629 . 75 GLN CA C 56.0 0.1 1 630 . 75 GLN CB C 25.0 0.1 1 631 . 75 GLN CG C 31.0 0.1 1 632 . 75 GLN N N 120.9 0.1 1 633 . 75 GLN NE2 N 110.5 0.1 1 634 . 76 ALA H H 7.90 0.01 1 635 . 76 ALA HA H 4.17 0.01 1 636 . 76 ALA HB H 1.48 0.01 1 637 . 76 ALA CA C 51.8 0.1 1 638 . 76 ALA CB C 14.7 0.1 1 639 . 76 ALA N N 121.8 0.1 1 640 . 77 ASP H H 8.46 0.01 1 641 . 77 ASP HA H 4.93 0.01 1 642 . 77 ASP HB2 H 3.05 0.01 2 643 . 77 ASP HB3 H 3.09 0.01 2 644 . 77 ASP CA C 54.8 0.1 1 645 . 77 ASP CB C 39.0 0.1 1 646 . 77 ASP N N 120.9 0.1 1 647 . 78 LYS H H 8.18 0.01 1 648 . 78 LYS HA H 4.20 0.01 1 649 . 78 LYS HB2 H 2.06 0.01 2 650 . 78 LYS HB3 H 1.93 0.01 2 651 . 78 LYS CA C 57.3 0.1 1 652 . 78 LYS CB C 29.1 0.1 1 653 . 78 LYS N N 120.6 0.1 1 654 . 79 LYS H H 7.45 0.01 1 655 . 79 LYS HA H 4.07 0.01 1 656 . 79 LYS HB2 H 1.91 0.01 1 657 . 79 LYS HB3 H 1.91 0.01 1 658 . 79 LYS HG2 H 1.57 0.01 1 659 . 79 LYS HG3 H 1.57 0.01 1 660 . 79 LYS CA C 56.1 0.1 1 661 . 79 LYS CB C 29.0 0.1 1 662 . 79 LYS CG C 22.0 0.1 1 663 . 79 LYS N N 118.5 0.1 1 664 . 80 ARG H H 7.96 0.01 1 665 . 80 ARG HA H 4.12 0.01 1 666 . 80 ARG HB2 H 1.94 0.01 2 667 . 80 ARG HB3 H 2.52 0.01 2 668 . 80 ARG HD2 H 3.16 0.01 1 669 . 80 ARG HD3 H 3.16 0.01 1 670 . 80 ARG HE H 7.08 0.01 1 671 . 80 ARG CA C 56.2 0.1 1 672 . 80 ARG CB C 29.2 0.1 1 673 . 80 ARG N N 121.7 0.1 1 674 . 81 TYR H H 8.58 0.01 1 675 . 81 TYR HA H 4.03 0.01 1 676 . 81 TYR HB2 H 3.14 0.01 1 677 . 81 TYR HB3 H 3.14 0.01 1 678 . 81 TYR HD1 H 7.18 0.01 1 679 . 81 TYR HD2 H 7.18 0.01 1 680 . 81 TYR HE1 H 6.66 0.01 1 681 . 81 TYR HE2 H 6.66 0.01 1 682 . 81 TYR CA C 59.3 0.1 1 683 . 81 TYR CB C 35.8 0.1 1 684 . 81 TYR CD1 C 131.5 0.1 1 685 . 81 TYR CD2 C 131.5 0.1 1 686 . 81 TYR CE1 C 114.8 0.1 1 687 . 81 TYR CE2 C 114.8 0.1 1 688 . 81 TYR N N 120.8 0.1 1 689 . 82 GLU H H 8.56 0.01 1 690 . 82 GLU HA H 3.67 0.01 1 691 . 82 GLU HB2 H 2.09 0.01 2 692 . 82 GLU HB3 H 2.14 0.01 2 693 . 82 GLU HG2 H 2.41 0.01 1 694 . 82 GLU HG3 H 2.41 0.01 1 695 . 82 GLU CA C 56.5 0.1 1 696 . 82 GLU CB C 26.5 0.1 1 697 . 82 GLU CG C 33.4 0.1 1 698 . 82 GLU N N 116.9 0.1 1 699 . 83 SER H H 8.12 0.01 1 700 . 83 SER HA H 4.29 0.01 1 701 . 83 SER HB2 H 4.00 0.01 1 702 . 83 SER HB3 H 4.00 0.01 1 703 . 83 SER CA C 58.4 0.1 1 704 . 83 SER CB C 60.0 0.1 1 705 . 83 SER N N 114.5 0.1 1 706 . 84 GLU H H 8.37 0.01 1 707 . 84 GLU HA H 3.97 0.01 1 708 . 84 GLU HB2 H 1.88 0.01 2 709 . 84 GLU HB3 H 1.37 0.01 2 710 . 84 GLU HG2 H 2.20 0.01 2 711 . 84 GLU HG3 H 2.40 0.01 2 712 . 84 GLU CA C 56.5 0.1 1 713 . 84 GLU CB C 27.3 0.1 1 714 . 84 GLU CG C 33.0 0.1 1 715 . 84 GLU N N 121.8 0.1 1 716 . 85 LYS H H 8.80 0.01 1 717 . 85 LYS HA H 3.75 0.01 1 718 . 85 LYS HB2 H 1.61 0.01 1 719 . 85 LYS HB3 H 1.61 0.01 1 720 . 85 LYS HG2 H 1.21 0.01 1 721 . 85 LYS HG3 H 1.21 0.01 1 722 . 85 LYS HD2 H 1.85 0.01 1 723 . 85 LYS HD3 H 1.85 0.01 1 724 . 85 LYS HE2 H 2.86 0.01 1 725 . 85 LYS HE3 H 2.86 0.01 1 726 . 85 LYS CA C 56.7 0.1 1 727 . 85 LYS CB C 28.8 0.1 1 728 . 85 LYS CG C 21.5 0.1 1 729 . 85 LYS CD C 24.5 0.1 1 730 . 85 LYS CE C 38.0 0.1 1 731 . 85 LYS N N 121.4 0.1 1 732 . 86 GLU H H 7.69 0.01 1 733 . 86 GLU HA H 4.06 0.01 1 734 . 86 GLU HB2 H 2.10 0.01 1 735 . 86 GLU HB3 H 2.10 0.01 1 736 . 86 GLU HG2 H 2.30 0.01 2 737 . 86 GLU HG3 H 2.37 0.01 2 738 . 86 GLU CA C 55.9 0.1 1 739 . 86 GLU CB C 26.5 0.1 1 740 . 86 GLU CG C 33.1 0.1 1 741 . 86 GLU N N 118.5 0.1 1 742 . 87 LEU H H 7.44 0.01 1 743 . 87 LEU HA H 4.13 0.01 1 744 . 87 LEU HB2 H 1.73 0.01 2 745 . 87 LEU HB3 H 1.57 0.01 2 746 . 87 LEU HG H 1.66 0.01 1 747 . 87 LEU HD1 H 0.84 0.01 1 748 . 87 LEU HD2 H 0.84 0.01 1 749 . 87 LEU CA C 54.4 0.1 1 750 . 87 LEU CB C 39.0 0.1 1 751 . 87 LEU CG C 24.2 0.1 1 752 . 87 LEU CD1 C 20.8 0.1 1 753 . 87 LEU CD2 C 20.8 0.1 1 754 . 87 LEU N N 119.2 0.1 1 755 . 88 TYR H H 8.20 0.01 1 756 . 88 TYR HA H 4.23 0.01 1 757 . 88 TYR HB2 H 3.00 0.01 2 758 . 88 TYR HB3 H 3.09 0.01 2 759 . 88 TYR HD1 H 7.05 0.01 1 760 . 88 TYR HD2 H 7.05 0.01 1 761 . 88 TYR HE1 H 6.71 0.01 1 762 . 88 TYR HE2 H 6.71 0.01 1 763 . 88 TYR CA C 57.4 0.1 1 764 . 88 TYR CB C 36.0 0.1 1 765 . 88 TYR CD1 C 130.6 0.1 1 766 . 88 TYR CD2 C 130.6 0.1 1 767 . 88 TYR CE1 C 115.3 0.1 1 768 . 88 TYR CE2 C 115.3 0.1 1 769 . 88 TYR N N 120.4 0.1 1 770 . 89 ASN H H 8.43 0.01 1 771 . 89 ASN HA H 4.35 0.01 1 772 . 89 ASN HB2 H 2.78 0.01 1 773 . 89 ASN HB3 H 2.78 0.01 1 774 . 89 ASN HD21 H 7.58 0.01 1 775 . 89 ASN HD22 H 6.77 0.01 1 776 . 89 ASN CA C 51.4 0.1 1 777 . 89 ASN CB C 35.2 0.1 1 778 . 89 ASN N N 118.2 0.1 1 779 . 89 ASN ND2 N 110.0 0.1 1 780 . 90 ALA H H 7.62 0.01 1 781 . 90 ALA HA H 4.20 0.01 1 782 . 90 ALA HB H 1.45 0.01 1 783 . 90 ALA CA C 51.3 0.1 1 784 . 90 ALA CB C 15.9 0.1 1 785 . 90 ALA N N 121.7 0.1 1 786 . 91 THR H H 7.75 0.01 1 787 . 91 THR HA H 4.23 0.01 1 788 . 91 THR HB H 4.20 0.01 1 789 . 91 THR HG2 H 1.19 0.01 1 790 . 91 THR CA C 59.7 0.1 1 791 . 91 THR CB C 66.7 0.1 1 792 . 91 THR CG2 C 18.4 0.1 1 793 . 91 THR N N 110.0 0.1 1 794 . 92 LEU H H 7.52 0.01 1 795 . 92 LEU HA H 4.25 0.01 1 796 . 92 LEU HB2 H 1.51 0.01 1 797 . 92 LEU HB3 H 1.51 0.01 1 798 . 92 LEU HG H 1.47 0.01 1 799 . 92 LEU HD1 H 0.77 0.01 2 800 . 92 LEU HD2 H 0.68 0.01 2 801 . 92 LEU CA C 52.0 0.1 1 802 . 92 LEU CB C 39.4 0.1 1 803 . 92 LEU CG C 23.3 0.1 1 804 . 92 LEU CD1 C 22.2 0.1 2 805 . 92 LEU CD2 C 20.0 0.1 2 806 . 92 LEU N N 123.4 0.1 1 807 . 93 ALA H H 7.62 0.01 1 808 . 93 ALA HA H 4.02 0.01 1 809 . 93 ALA HB H 1.25 0.01 1 810 . 93 ALA CA C 50.8 0.1 1 811 . 93 ALA CB C 16.0 0.1 1 812 . 93 ALA N N 129.3 0.1 1 stop_ save_