data_7085 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of hypothetical protein yst6499 ; _BMRB_accession_number 7085 _BMRB_flat_file_name bmr7085.str _Entry_type original _Submission_date 2006-04-24 _Accession_date 2006-04-24 _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 Wu Bin . . 2 Yee Adelina . . 3 Lemak Alexander . . 4 Ramelot Theresa . . 5 Semesi Anthony . . 6 Kennedy Michael . . 7 Arrowsmith Cheryl H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 559 "13C chemical shifts" 405 "15N chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-10-20 original author . stop_ _Original_release_date 2006-10-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of hypothetical protein yst6499 from Saccharomyces cerevisiae/ Northeast Structural Genomics Consortium Target YT727/ Ontario Center for Structural Proteomics Target yst6499 ; _Citation_status published _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Bin . . 2 Yee Adelina . . 3 Lemak Alexander . . 4 Ramelot Theresa . . 5 Semesi Anthony . . 6 Kennedy Michael . . 7 Arrowsmith Cheryl H. . stop_ _Journal_abbreviation . _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 . loop_ _Keyword 'hypothetical protein yst6499' stop_ save_ ################################## # Molecular system description # ################################## save_system_yst6499 _Saveframe_category molecular_system _Mol_system_name 'hypothetical protein yst6499' _Abbreviation_common yst6499 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label yst6499 $yst6499 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'hypothetical protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_yst6499 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'hypothetical protein yst6499' _Abbreviation_common yst6499 _Molecular_mass 13343.00 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; MGSSHHHHHHSSGRENLYFQ GHMKSSIPITEVLPRAVGSL TFDENYNLLDTSGVAKVIEK SPIAEIIRKSNAELGRLGYS VYEDAQYIGHAFKKAGHFIV YFTPKNKNREGVVPPVGITN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -21 MET 2 -20 GLY 3 -19 SER 4 -18 SER 5 -17 HIS 6 -16 HIS 7 -15 HIS 8 -14 HIS 9 -13 HIS 10 -12 HIS 11 -11 SER 12 -10 SER 13 -9 GLY 14 -8 ARG 15 -7 GLU 16 -6 ASN 17 -5 LEU 18 -4 TYR 19 -3 PHE 20 -2 GLN 21 -1 GLY 22 0 HIS 23 1 MET 24 2 LYS 25 3 SER 26 4 SER 27 5 ILE 28 6 PRO 29 7 ILE 30 8 THR 31 9 GLU 32 10 VAL 33 11 LEU 34 12 PRO 35 13 ARG 36 14 ALA 37 15 VAL 38 16 GLY 39 17 SER 40 18 LEU 41 19 THR 42 20 PHE 43 21 ASP 44 22 GLU 45 23 ASN 46 24 TYR 47 25 ASN 48 26 LEU 49 27 LEU 50 28 ASP 51 29 THR 52 30 SER 53 31 GLY 54 32 VAL 55 33 ALA 56 34 LYS 57 35 VAL 58 36 ILE 59 37 GLU 60 38 LYS 61 39 SER 62 40 PRO 63 41 ILE 64 42 ALA 65 43 GLU 66 44 ILE 67 45 ILE 68 46 ARG 69 47 LYS 70 48 SER 71 49 ASN 72 50 ALA 73 51 GLU 74 52 LEU 75 53 GLY 76 54 ARG 77 55 LEU 78 56 GLY 79 57 TYR 80 58 SER 81 59 VAL 82 60 TYR 83 61 GLU 84 62 ASP 85 63 ALA 86 64 GLN 87 65 TYR 88 66 ILE 89 67 GLY 90 68 HIS 91 69 ALA 92 70 PHE 93 71 LYS 94 72 LYS 95 73 ALA 96 74 GLY 97 75 HIS 98 76 PHE 99 77 ILE 100 78 VAL 101 79 TYR 102 80 PHE 103 81 THR 104 82 PRO 105 83 LYS 106 84 ASN 107 85 LYS 108 86 ASN 109 87 ARG 110 88 GLU 111 89 GLY 112 90 VAL 113 91 VAL 114 92 PRO 115 93 PRO 116 94 VAL 117 95 GLY 118 96 ILE 119 97 THR 120 98 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-25 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 2GRG "Solution Nmr Structure Of Protein Ynr034w-A From Saccharomyces Cerevisiae. Northeast Structural Genomics Consortium Target Yt72" 100.00 120 100.00 100.00 1.64e-81 DBJ GAA26128 "K7_Ynr034w-ap [Saccharomyces cerevisiae Kyokai no. 7]" 81.67 98 100.00 100.00 1.25e-63 EMBL CAY82229 "EC1118_1N18_0793p [Saccharomyces cerevisiae EC1118]" 81.67 98 100.00 100.00 1.25e-63 GB AHY77122 "hypothetical protein H779_YJM993N00365 [Saccharomyces cerevisiae YJM993]" 81.67 98 100.00 100.00 1.25e-63 GB EDN62841 "conserved protein [Saccharomyces cerevisiae YJM789]" 81.67 98 98.98 98.98 1.13e-62 GB EDV12232 "conserved hypothetical protein [Saccharomyces cerevisiae RM11-1a]" 81.67 98 100.00 100.00 1.25e-63 GB EEU08283 "YNR034W-A-like protein [Saccharomyces cerevisiae JAY291]" 81.67 98 100.00 100.00 1.25e-63 GB EIW08126 "hypothetical protein CENPK1137D_2713 [Saccharomyces cerevisiae CEN.PK113-7D]" 81.67 98 100.00 100.00 1.25e-63 REF NP_061494 "hypothetical protein YNR034W-A [Saccharomyces cerevisiae S288c]" 81.67 98 100.00 100.00 1.25e-63 SP Q3E841 "RecName: Full=Uncharacterized protein YNR034W-A [Saccharomyces cerevisiae S288c]" 81.67 98 100.00 100.00 1.25e-63 TPG DAA10576 "TPA: hypothetical protein YNR034W-A [Saccharomyces cerevisiae S288c]" 81.67 98 100.00 100.00 1.25e-63 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $yst6499 'Saccharomyces cerevisiae' 2303 Bacteria . 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_type _Vector_name $yst6499 'recombinant technology' 'E. coli' Escherichia coli 'BL21 (DE3)' plasmid 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 $yst6499 1 mM '[U-13C; U-15N]' NaCl 250 mM . tris 10 mM . stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.95 loop_ _Task assignemt 'spectral analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _Sample_label . save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_CBCAcoNH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCAcoNH _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNcoCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNcoCA _Sample_label . save_ save_CCTOCSY_NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CCTOCSY_NH _Sample_label . save_ save_HCCTOCSY_NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCTOCSY_NH _Sample_label . save_ save_13C_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC' _Sample_label . save_ save_HCCHTOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHTOCSY _Sample_label . save_ save_HCCHCOSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHCOSY _Sample_label . save_ save_CCHTOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name CCHTOCSY _Sample_label . save_ save_15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _Sample_label . save_ save_13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCAcoNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNcoCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name CCTOCSY_NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCTOCSY_NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHTOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHCOSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name CCHTOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_set1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.25 . M pH 7.1 0.2 pH temperature 298 1 K 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_set1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name yst6499 _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 2 24 LYS CA C 56.410 0.400 1 2 2 24 LYS HA H 4.321 0.020 1 3 2 24 LYS CB C 33.260 0.400 1 4 2 24 LYS HB2 H 1.869 0.020 2 5 2 24 LYS HB3 H 1.744 0.020 2 6 2 24 LYS CG C 24.850 0.400 1 7 2 24 LYS HG2 H 1.436 0.020 1 8 2 24 LYS HG3 H 1.436 0.020 1 9 2 24 LYS CD C 29.090 0.400 1 10 2 24 LYS HD2 H 1.686 0.020 1 11 2 24 LYS HD3 H 1.686 0.020 1 12 2 24 LYS CE C 42.100 0.400 1 13 2 24 LYS HE2 H 3.012 0.020 2 14 2 24 LYS HE3 H 2.952 0.020 2 15 2 24 LYS C C 176.092 0.400 1 16 3 25 SER N N 117.271 0.400 1 17 3 25 SER H H 8.246 0.020 1 18 3 25 SER CA C 58.260 0.400 1 19 3 25 SER HA H 4.601 0.020 1 20 3 25 SER CB C 64.260 0.400 1 21 3 25 SER HB2 H 3.899 0.020 2 22 3 25 SER HB3 H 3.841 0.020 2 23 3 25 SER C C 173.955 0.400 1 24 4 26 SER N N 117.152 0.400 1 25 4 26 SER H H 8.488 0.020 1 26 4 26 SER CA C 57.910 0.400 1 27 4 26 SER HA H 4.661 0.020 1 28 4 26 SER CB C 63.940 0.400 1 29 4 26 SER HB2 H 3.869 0.020 1 30 4 26 SER HB3 H 3.869 0.020 1 31 4 26 SER C C 173.843 0.400 1 32 5 27 ILE N N 121.595 0.400 1 33 5 27 ILE H H 8.157 0.020 1 34 5 27 ILE CA C 58.090 0.400 1 35 5 27 ILE HA H 4.652 0.020 1 36 5 27 ILE CB C 40.270 0.400 1 37 5 27 ILE HB H 1.622 0.020 1 38 5 27 ILE HG2 H 0.690 0.020 1 39 5 27 ILE CG2 C 17.170 0.400 1 40 5 27 ILE CG1 C 26.950 0.400 1 41 5 27 ILE HG12 H 1.362 0.020 2 42 5 27 ILE HG13 H 1.026 0.020 2 43 5 27 ILE HD1 H 0.600 0.020 1 44 5 27 ILE CD1 C 13.310 0.400 1 45 6 28 PRO CD C 51.140 0.400 1 46 6 28 PRO CA C 62.600 0.400 1 47 6 28 PRO HA H 5.134 0.020 1 48 6 28 PRO CB C 33.110 0.400 1 49 6 28 PRO HB2 H 2.432 0.020 2 50 6 28 PRO HB3 H 2.044 0.020 2 51 6 28 PRO CG C 27.670 0.400 1 52 6 28 PRO HG2 H 2.028 0.020 1 53 6 28 PRO HG3 H 2.028 0.020 1 54 6 28 PRO HD2 H 3.964 0.020 2 55 6 28 PRO HD3 H 3.650 0.020 2 56 6 28 PRO C C 179.016 0.400 1 57 7 29 ILE N N 123.130 0.400 1 58 7 29 ILE H H 9.036 0.020 1 59 7 29 ILE CA C 64.180 0.400 1 60 7 29 ILE HA H 3.426 0.020 1 61 7 29 ILE CB C 37.980 0.400 1 62 7 29 ILE HB H 1.522 0.020 1 63 7 29 ILE HG2 H 0.899 0.020 1 64 7 29 ILE CG2 C 16.730 0.400 1 65 7 29 ILE CG1 C 28.660 0.400 1 66 7 29 ILE HG12 H 0.738 0.020 2 67 7 29 ILE HG13 H 0.419 0.020 2 68 7 29 ILE HD1 H 0.423 0.020 1 69 7 29 ILE CD1 C 13.800 0.400 1 70 7 29 ILE C C 176.092 0.400 1 71 8 30 THR N N 109.071 0.400 1 72 8 30 THR H H 7.047 0.020 1 73 8 30 THR CA C 63.640 0.400 1 74 8 30 THR HA H 3.869 0.020 1 75 8 30 THR CB C 68.180 0.400 1 76 8 30 THR HB H 4.249 0.020 1 77 8 30 THR HG2 H 1.269 0.020 1 78 8 30 THR CG2 C 23.020 0.400 1 79 8 30 THR C C 175.867 0.400 1 80 9 31 GLU N N 118.117 0.400 1 81 9 31 GLU H H 7.417 0.020 1 82 9 31 GLU CA C 56.770 0.400 1 83 9 31 GLU HA H 4.318 0.020 1 84 9 31 GLU CB C 30.480 0.400 1 85 9 31 GLU HB2 H 2.175 0.020 2 86 9 31 GLU HB3 H 1.912 0.020 2 87 9 31 GLU CG C 36.510 0.400 1 88 9 31 GLU HG2 H 2.258 0.020 2 89 9 31 GLU HG3 H 2.185 0.020 2 90 9 31 GLU C C 177.120 0.400 1 91 10 32 VAL N N 117.760 0.400 1 92 10 32 VAL H H 7.179 0.020 1 93 10 32 VAL CA C 64.170 0.400 1 94 10 32 VAL HA H 3.827 0.020 1 95 10 32 VAL CB C 33.400 0.400 1 96 10 32 VAL HB H 1.782 0.020 1 97 10 32 VAL HG1 H 0.793 0.020 2 98 10 32 VAL HG2 H 0.784 0.020 2 99 10 32 VAL CG1 C 22.450 0.400 1 100 10 32 VAL CG2 C 23.020 0.400 1 101 10 32 VAL C C 176.124 0.400 1 102 11 33 LEU N N 119.704 0.400 1 103 11 33 LEU H H 7.574 0.020 1 104 11 33 LEU CA C 59.890 0.400 1 105 11 33 LEU HA H 3.477 0.020 1 106 11 33 LEU CB C 39.700 0.400 1 107 11 33 LEU HB2 H 1.410 0.020 2 108 11 33 LEU HB3 H 1.325 0.020 2 109 11 33 LEU CG C 26.930 0.400 1 110 11 33 LEU HG H 1.294 0.020 1 111 11 33 LEU HD1 H 0.637 0.020 2 112 11 33 LEU HD2 H 0.513 0.020 2 113 11 33 LEU CD1 C 24.830 0.400 1 114 11 33 LEU CD2 C 23.610 0.400 1 115 12 34 PRO CD C 50.650 0.400 1 116 12 34 PRO CA C 65.170 0.400 1 117 12 34 PRO HA H 4.392 0.020 1 118 12 34 PRO CB C 31.440 0.400 1 119 12 34 PRO HB2 H 2.346 0.020 2 120 12 34 PRO HB3 H 1.728 0.020 2 121 12 34 PRO CG C 28.060 0.400 1 122 12 34 PRO HG2 H 1.925 0.020 1 123 12 34 PRO HG3 H 1.925 0.020 1 124 12 34 PRO HD2 H 3.479 0.020 2 125 12 34 PRO HD3 H 3.182 0.020 2 126 12 34 PRO C C 177.040 0.400 1 127 13 35 ARG N N 113.475 0.400 1 128 13 35 ARG H H 7.201 0.020 1 129 13 35 ARG CA C 54.860 0.400 1 130 13 35 ARG HA H 4.508 0.020 1 131 13 35 ARG CB C 32.010 0.400 1 132 13 35 ARG HB2 H 2.111 0.020 2 133 13 35 ARG HB3 H 1.745 0.020 2 134 13 35 ARG CG C 28.310 0.400 1 135 13 35 ARG HG2 H 1.624 0.020 1 136 13 35 ARG HG3 H 1.624 0.020 1 137 13 35 ARG CD C 43.690 0.400 1 138 13 35 ARG HD2 H 3.296 0.020 1 139 13 35 ARG HD3 H 3.296 0.020 1 140 13 35 ARG C C 175.835 0.400 1 141 14 36 ALA N N 122.603 0.400 1 142 14 36 ALA H H 7.444 0.020 1 143 14 36 ALA CA C 53.400 0.400 1 144 14 36 ALA HA H 4.653 0.020 1 145 14 36 ALA HB H 1.575 0.020 1 146 14 36 ALA CB C 19.660 0.400 1 147 14 36 ALA C C 179.016 0.400 1 148 15 37 VAL N N 111.702 0.400 1 149 15 37 VAL H H 9.130 0.020 1 150 15 37 VAL CA C 59.930 0.400 1 151 15 37 VAL HA H 4.771 0.020 1 152 15 37 VAL CB C 32.340 0.400 1 153 15 37 VAL HB H 2.659 0.020 1 154 15 37 VAL HG1 H 1.147 0.020 2 155 15 37 VAL HG2 H 0.777 0.020 2 156 15 37 VAL CG1 C 21.830 0.400 1 157 15 37 VAL CG2 C 18.910 0.400 1 158 15 37 VAL C C 176.526 0.400 1 159 16 38 GLY N N 109.826 0.400 1 160 16 38 GLY H H 7.927 0.020 1 161 16 38 GLY CA C 45.390 0.400 1 162 16 38 GLY HA2 H 4.731 0.020 2 163 16 38 GLY HA3 H 3.959 0.020 2 164 16 38 GLY C C 171.192 0.400 1 165 17 39 SER N N 115.088 0.400 1 166 17 39 SER H H 8.588 0.020 1 167 17 39 SER CA C 57.680 0.400 1 168 17 39 SER HA H 5.974 0.020 1 169 17 39 SER CB C 66.620 0.400 1 170 17 39 SER HB2 H 4.019 0.020 2 171 17 39 SER HB3 H 3.496 0.020 2 172 17 39 SER C C 171.771 0.400 1 173 18 40 LEU N N 118.963 0.400 1 174 18 40 LEU H H 8.712 0.020 1 175 18 40 LEU CA C 53.990 0.400 1 176 18 40 LEU HA H 4.984 0.020 1 177 18 40 LEU CB C 47.400 0.400 1 178 18 40 LEU HB2 H 1.584 0.020 2 179 18 40 LEU HB3 H 1.294 0.020 2 180 18 40 LEU CG C 27.090 0.400 1 181 18 40 LEU HG H 1.719 0.020 1 182 18 40 LEU HD1 H 0.989 0.020 2 183 18 40 LEU HD2 H 1.024 0.020 2 184 18 40 LEU CD1 C 27.000 0.400 1 185 18 40 LEU CD2 C 26.530 0.400 1 186 18 40 LEU C C 175.241 0.400 1 187 19 41 THR N N 116.199 0.400 1 188 19 41 THR H H 8.041 0.020 1 189 19 41 THR CA C 61.910 0.400 1 190 19 41 THR HA H 5.180 0.020 1 191 19 41 THR CB C 70.640 0.400 1 192 19 41 THR HB H 3.692 0.020 1 193 19 41 THR HG2 H 1.041 0.020 1 194 19 41 THR CG2 C 21.780 0.400 1 195 19 41 THR C C 172.879 0.400 1 196 20 42 PHE N N 125.484 0.400 1 197 20 42 PHE H H 9.874 0.020 1 198 20 42 PHE CA C 55.770 0.400 1 199 20 42 PHE HA H 5.623 0.020 1 200 20 42 PHE CB C 43.690 0.400 1 201 20 42 PHE HB2 H 3.154 0.020 1 202 20 42 PHE HB3 H 3.154 0.020 1 203 20 42 PHE CD1 C 131.800 0.400 1 204 20 42 PHE HD1 H 6.983 0.020 1 205 20 42 PHE CE1 C 131.600 0.400 1 206 20 42 PHE HE1 H 7.176 0.020 1 207 20 42 PHE CZ C 128.500 0.400 1 208 20 42 PHE HZ H 7.063 0.020 1 209 20 42 PHE HE2 H 7.176 0.020 1 210 20 42 PHE HD2 H 6.983 0.020 1 211 20 42 PHE C C 175.417 0.400 1 212 21 43 ASP N N 119.664 0.400 1 213 21 43 ASP H H 8.743 0.020 1 214 21 43 ASP CA C 52.040 0.400 1 215 21 43 ASP HA H 4.656 0.020 1 216 21 43 ASP CB C 41.250 0.400 1 217 21 43 ASP HB2 H 3.397 0.020 2 218 21 43 ASP HB3 H 2.650 0.020 2 219 21 43 ASP C C 176.526 0.400 1 220 22 44 GLU N N 114.480 0.400 1 221 22 44 GLU H H 8.830 0.020 1 222 22 44 GLU CA C 58.400 0.400 1 223 22 44 GLU HA H 4.037 0.020 1 224 22 44 GLU CB C 29.000 0.400 1 225 22 44 GLU HB2 H 2.046 0.020 2 226 22 44 GLU HB3 H 1.974 0.020 2 227 22 44 GLU CG C 35.800 0.400 1 228 22 44 GLU HG2 H 2.241 0.020 2 229 22 44 GLU HG3 H 2.106 0.020 2 230 22 44 GLU C C 175.947 0.400 1 231 23 45 ASN N N 117.168 0.400 1 232 23 45 ASN H H 7.992 0.020 1 233 23 45 ASN CA C 52.700 0.400 1 234 23 45 ASN HA H 4.655 0.020 1 235 23 45 ASN CB C 39.620 0.400 1 236 23 45 ASN HB2 H 2.980 0.020 2 237 23 45 ASN HB3 H 2.536 0.020 2 238 23 45 ASN ND2 N 115.200 0.400 1 239 23 45 ASN HD21 H 7.790 0.020 2 240 23 45 ASN HD22 H 6.966 0.020 2 241 23 45 ASN C C 173.923 0.400 1 242 24 46 TYR N N 113.448 0.400 1 243 24 46 TYR H H 8.066 0.020 1 244 24 46 TYR CA C 60.190 0.400 1 245 24 46 TYR HA H 3.747 0.020 1 246 24 46 TYR CB C 34.590 0.400 1 247 24 46 TYR HB2 H 3.227 0.020 2 248 24 46 TYR HB3 H 2.856 0.020 2 249 24 46 TYR CD1 C 131.900 0.400 1 250 24 46 TYR HD1 H 6.517 0.020 1 251 24 46 TYR CE1 C 118.600 0.400 1 252 24 46 TYR HE1 H 6.329 0.020 1 253 24 46 TYR HE2 H 6.329 0.020 1 254 24 46 TYR HD2 H 6.517 0.020 1 255 24 46 TYR C C 174.389 0.400 1 256 25 47 ASN N N 118.265 0.400 1 257 25 47 ASN H H 8.689 0.020 1 258 25 47 ASN CA C 52.920 0.400 1 259 25 47 ASN HA H 4.873 0.020 1 260 25 47 ASN CB C 39.000 0.400 1 261 25 47 ASN HB2 H 2.823 0.020 2 262 25 47 ASN HB3 H 2.592 0.020 2 263 25 47 ASN ND2 N 118.600 0.400 1 264 25 47 ASN HD21 H 8.392 0.020 2 265 25 47 ASN HD22 H 7.239 0.020 2 266 25 47 ASN C C 175.626 0.400 1 267 26 48 LEU N N 125.338 0.400 1 268 26 48 LEU H H 8.899 0.020 1 269 26 48 LEU CA C 55.790 0.400 1 270 26 48 LEU HA H 4.026 0.020 1 271 26 48 LEU CB C 42.190 0.400 1 272 26 48 LEU HB2 H 1.769 0.020 2 273 26 48 LEU HB3 H 1.323 0.020 2 274 26 48 LEU CG C 26.900 0.400 1 275 26 48 LEU HG H 1.147 0.020 1 276 26 48 LEU HD1 H 0.372 0.020 2 277 26 48 LEU HD2 H 0.690 0.020 2 278 26 48 LEU CD1 C 23.350 0.400 1 279 26 48 LEU CD2 C 26.430 0.400 1 280 26 48 LEU C C 176.397 0.400 1 281 27 49 LEU N N 127.732 0.400 1 282 27 49 LEU H H 9.270 0.020 1 283 27 49 LEU CA C 55.080 0.400 1 284 27 49 LEU HA H 4.421 0.020 1 285 27 49 LEU CB C 43.910 0.400 1 286 27 49 LEU HB2 H 1.393 0.020 2 287 27 49 LEU HB3 H 1.303 0.020 2 288 27 49 LEU CG C 26.590 0.400 1 289 27 49 LEU HG H 1.570 0.020 1 290 27 49 LEU HD1 H 0.670 0.020 2 291 27 49 LEU HD2 H 0.764 0.020 2 292 27 49 LEU CD1 C 25.530 0.400 1 293 27 49 LEU CD2 C 22.400 0.400 1 294 27 49 LEU C C 176.718 0.400 1 295 28 50 ASP N N 115.392 0.400 1 296 28 50 ASP H H 7.247 0.020 1 297 28 50 ASP CA C 54.300 0.400 1 298 28 50 ASP HA H 4.771 0.020 1 299 28 50 ASP CB C 44.730 0.400 1 300 28 50 ASP HB2 H 2.523 0.020 2 301 28 50 ASP HB3 H 2.201 0.020 2 302 28 50 ASP C C 173.393 0.400 1 303 29 51 THR N N 116.318 0.400 1 304 29 51 THR H H 7.845 0.020 1 305 29 51 THR CA C 61.130 0.400 1 306 29 51 THR HA H 4.766 0.020 1 307 29 51 THR CB C 71.450 0.400 1 308 29 51 THR HB H 3.753 0.020 1 309 29 51 THR HG2 H 1.004 0.020 1 310 29 51 THR CG2 C 22.200 0.400 1 311 29 51 THR C C 173.184 0.400 1 312 30 52 SER N N 118.107 0.400 1 313 30 52 SER H H 9.067 0.020 1 314 30 52 SER CA C 57.300 0.400 1 315 30 52 SER HA H 4.880 0.020 1 316 30 52 SER CB C 66.680 0.400 1 317 30 52 SER HB2 H 3.861 0.020 2 318 30 52 SER HB3 H 3.816 0.020 2 319 31 53 GLY CA C 46.560 0.400 1 320 31 53 GLY HA2 H 4.416 0.020 2 321 31 53 GLY HA3 H 3.882 0.020 2 322 31 53 GLY C C 177.136 0.400 1 323 32 54 VAL N N 120.658 0.400 1 324 32 54 VAL H H 8.610 0.020 1 325 32 54 VAL CA C 63.290 0.400 1 326 32 54 VAL HA H 3.972 0.020 1 327 32 54 VAL CB C 31.080 0.400 1 328 32 54 VAL HB H 1.896 0.020 1 329 32 54 VAL HG1 H 0.767 0.020 2 330 32 54 VAL HG2 H -0.088 0.020 2 331 32 54 VAL CG1 C 19.900 0.400 1 332 32 54 VAL CG2 C 18.140 0.400 1 333 32 54 VAL C C 175.578 0.400 1 334 33 55 ALA N N 119.162 0.400 1 335 33 55 ALA H H 7.182 0.020 1 336 33 55 ALA CA C 53.210 0.400 1 337 33 55 ALA HA H 3.316 0.020 1 338 33 55 ALA HB H 1.217 0.020 1 339 33 55 ALA CB C 20.090 0.400 1 340 33 55 ALA C C 177.538 0.400 1 341 34 56 LYS N N 114.969 0.400 1 342 34 56 LYS H H 7.453 0.020 1 343 34 56 LYS CA C 59.630 0.400 1 344 34 56 LYS HA H 3.865 0.020 1 345 34 56 LYS CB C 32.820 0.400 1 346 34 56 LYS HB2 H 1.840 0.020 2 347 34 56 LYS HB3 H 1.774 0.020 2 348 34 56 LYS CG C 25.640 0.400 1 349 34 56 LYS HG2 H 1.434 0.020 2 350 34 56 LYS HG3 H 1.366 0.020 2 351 34 56 LYS CD C 29.260 0.400 1 352 34 56 LYS HD2 H 1.694 0.020 1 353 34 56 LYS HD3 H 1.694 0.020 1 354 34 56 LYS CE C 41.930 0.400 1 355 34 56 LYS HE2 H 2.976 0.020 1 356 34 56 LYS HE3 H 2.976 0.020 1 357 34 56 LYS C C 177.923 0.400 1 358 35 57 VAL N N 108.965 0.400 1 359 35 57 VAL H H 7.093 0.020 1 360 35 57 VAL CA C 60.760 0.400 1 361 35 57 VAL HA H 4.439 0.020 1 362 35 57 VAL CB C 31.600 0.400 1 363 35 57 VAL HB H 2.439 0.020 1 364 35 57 VAL HG1 H 0.845 0.020 2 365 35 57 VAL HG2 H 0.879 0.020 2 366 35 57 VAL CG1 C 21.450 0.400 1 367 35 57 VAL CG2 C 18.750 0.400 1 368 35 57 VAL C C 175.417 0.400 1 369 36 58 ILE N N 122.721 0.400 1 370 36 58 ILE H H 6.712 0.020 1 371 36 58 ILE CA C 59.970 0.400 1 372 36 58 ILE HA H 4.038 0.020 1 373 36 58 ILE CB C 39.330 0.400 1 374 36 58 ILE HB H 1.247 0.020 1 375 36 58 ILE HG2 H 0.363 0.020 1 376 36 58 ILE CG2 C 16.930 0.400 1 377 36 58 ILE CG1 C 27.180 0.400 1 378 36 58 ILE HG12 H 0.794 0.020 2 379 36 58 ILE HG13 H 0.743 0.020 2 380 36 58 ILE HD1 H -0.281 0.020 1 381 36 58 ILE CD1 C 12.090 0.400 1 382 36 58 ILE C C 175.289 0.400 1 383 37 59 GLU N N 126.820 0.400 1 384 37 59 GLU H H 8.536 0.020 1 385 37 59 GLU CA C 57.170 0.400 1 386 37 59 GLU HA H 4.277 0.020 1 387 37 59 GLU CB C 29.290 0.400 1 388 37 59 GLU HB2 H 2.108 0.020 1 389 37 59 GLU HB3 H 2.108 0.020 1 390 37 59 GLU CG C 36.420 0.400 1 391 37 59 GLU HG2 H 2.398 0.020 1 392 37 59 GLU HG3 H 2.398 0.020 1 393 37 59 GLU C C 176.783 0.400 1 394 38 60 LYS N N 123.566 0.400 1 395 38 60 LYS H H 8.320 0.020 1 396 38 60 LYS CA C 58.590 0.400 1 397 38 60 LYS HA H 4.220 0.020 1 398 38 60 LYS CB C 33.200 0.400 1 399 38 60 LYS HB2 H 1.984 0.020 1 400 38 60 LYS HB3 H 1.984 0.020 1 401 38 60 LYS CG C 24.640 0.400 1 402 38 60 LYS HG2 H 1.661 0.020 2 403 38 60 LYS HG3 H 1.578 0.020 2 404 38 60 LYS CD C 29.090 0.400 1 405 38 60 LYS HD2 H 1.761 0.020 2 406 38 60 LYS HD3 H 1.642 0.020 2 407 38 60 LYS CE C 42.370 0.400 1 408 38 60 LYS HE2 H 3.084 0.020 1 409 38 60 LYS HE3 H 3.084 0.020 1 410 39 61 SER N N 118.022 0.400 1 411 39 61 SER H H 8.986 0.020 1 412 41 63 ILE CA C 64.530 0.400 1 413 41 63 ILE HA H 3.718 0.020 1 414 41 63 ILE CB C 37.910 0.400 1 415 41 63 ILE HB H 2.151 0.020 1 416 41 63 ILE HG2 H 0.923 0.020 1 417 41 63 ILE CG2 C 18.140 0.400 1 418 41 63 ILE CG1 C 29.110 0.400 1 419 41 63 ILE HG12 H 1.881 0.020 2 420 41 63 ILE HG13 H 1.245 0.020 2 421 41 63 ILE HD1 H 0.884 0.020 1 422 41 63 ILE CD1 C 13.840 0.400 1 423 41 63 ILE C C 176.943 0.400 1 424 42 64 ALA N N 122.180 0.400 1 425 42 64 ALA H H 8.031 0.020 1 426 42 64 ALA CA C 55.500 0.400 1 427 42 64 ALA HA H 3.190 0.020 1 428 42 64 ALA HB H 1.397 0.020 1 429 42 64 ALA CB C 18.070 0.400 1 430 42 64 ALA C C 178.984 0.400 1 431 43 65 GLU N N 114.837 0.400 1 432 43 65 GLU H H 7.602 0.020 1 433 43 65 GLU CA C 58.750 0.400 1 434 43 65 GLU HA H 3.858 0.020 1 435 43 65 GLU CB C 29.450 0.400 1 436 43 65 GLU HB2 H 2.025 0.020 2 437 43 65 GLU HB3 H 1.976 0.020 2 438 43 65 GLU CG C 35.880 0.400 1 439 43 65 GLU HG2 H 2.254 0.020 1 440 43 65 GLU HG3 H 2.254 0.020 1 441 43 65 GLU C C 178.534 0.400 1 442 44 66 ILE N N 120.276 0.400 1 443 44 66 ILE H H 7.473 0.020 1 444 44 66 ILE CA C 64.370 0.400 1 445 44 66 ILE HA H 3.700 0.020 1 446 44 66 ILE CB C 37.980 0.400 1 447 44 66 ILE HB H 1.925 0.020 1 448 44 66 ILE HG2 H 0.954 0.020 1 449 44 66 ILE CG2 C 18.130 0.400 1 450 44 66 ILE CG1 C 29.300 0.400 1 451 44 66 ILE HG12 H 1.729 0.020 2 452 44 66 ILE HG13 H 1.187 0.020 2 453 44 66 ILE HD1 H 0.916 0.020 1 454 44 66 ILE CD1 C 13.730 0.400 1 455 44 66 ILE C C 178.807 0.400 1 456 45 67 ILE N N 121.267 0.400 1 457 45 67 ILE H H 8.001 0.020 1 458 45 67 ILE CA C 65.070 0.400 1 459 45 67 ILE HA H 3.154 0.020 1 460 45 67 ILE CB C 36.420 0.400 1 461 45 67 ILE HB H 1.365 0.020 1 462 45 67 ILE HG2 H 0.114 0.020 1 463 45 67 ILE CG2 C 16.900 0.400 1 464 45 67 ILE CG1 C 28.320 0.400 1 465 45 67 ILE HG12 H 1.331 0.020 2 466 45 67 ILE HG13 H 0.734 0.020 2 467 45 67 ILE HD1 H 0.316 0.020 1 468 45 67 ILE CD1 C 13.270 0.400 1 469 45 67 ILE C C 176.606 0.400 1 470 46 68 ARG N N 118.725 0.400 1 471 46 68 ARG H H 7.532 0.020 1 472 46 68 ARG CA C 59.520 0.400 1 473 46 68 ARG HA H 3.190 0.020 1 474 46 68 ARG CB C 29.940 0.400 1 475 46 68 ARG HB2 H 1.364 0.020 2 476 46 68 ARG HB3 H 0.887 0.020 2 477 46 68 ARG CG C 26.910 0.400 1 478 46 68 ARG HG2 H 1.065 0.020 2 479 46 68 ARG HG3 H 0.854 0.020 2 480 46 68 ARG CD C 43.330 0.400 1 481 46 68 ARG HD2 H 2.910 0.020 1 482 46 68 ARG HD3 H 2.910 0.020 1 483 46 68 ARG C C 179.353 0.400 1 484 47 69 LYS N N 117.585 0.400 1 485 47 69 LYS H H 7.727 0.020 1 486 47 69 LYS CA C 58.770 0.400 1 487 47 69 LYS HA H 4.018 0.020 1 488 47 69 LYS CB C 32.870 0.400 1 489 47 69 LYS HB2 H 1.825 0.020 1 490 47 69 LYS HB3 H 1.825 0.020 1 491 47 69 LYS CG C 25.350 0.400 1 492 47 69 LYS HG2 H 1.506 0.020 2 493 47 69 LYS HG3 H 1.402 0.020 2 494 47 69 LYS CD C 29.270 0.400 1 495 47 69 LYS HD2 H 1.611 0.020 1 496 47 69 LYS HD3 H 1.611 0.020 1 497 47 69 LYS CE C 42.060 0.400 1 498 47 69 LYS HE2 H 2.915 0.020 1 499 47 69 LYS HE3 H 2.915 0.020 1 500 47 69 LYS C C 178.598 0.400 1 501 48 70 SER N N 113.742 0.400 1 502 48 70 SER H H 7.923 0.020 1 503 48 70 SER CA C 58.690 0.400 1 504 48 70 SER HA H 4.513 0.020 1 505 48 70 SER CB C 63.460 0.400 1 506 48 70 SER HB2 H 3.684 0.020 2 507 48 70 SER HB3 H 3.448 0.020 2 508 48 70 SER C C 175.433 0.400 1 509 49 71 ASN N N 119.321 0.400 1 510 49 71 ASN H H 7.346 0.020 1 511 49 71 ASN CA C 57.320 0.400 1 512 49 71 ASN HA H 4.022 0.020 1 513 49 71 ASN CB C 39.980 0.400 1 514 49 71 ASN HB2 H 2.960 0.020 2 515 49 71 ASN HB3 H 2.785 0.020 2 516 49 71 ASN ND2 N 114.300 0.400 1 517 49 71 ASN HD21 H 7.653 0.020 2 518 49 71 ASN HD22 H 6.894 0.020 2 519 49 71 ASN C C 175.915 0.400 1 520 50 72 ALA N N 120.855 0.400 1 521 50 72 ALA H H 8.417 0.020 1 522 50 72 ALA CA C 53.980 0.400 1 523 50 72 ALA HA H 4.194 0.020 1 524 50 72 ALA HB H 1.366 0.020 1 525 50 72 ALA CB C 18.590 0.400 1 526 50 72 ALA C C 178.453 0.400 1 527 51 73 GLU N N 115.710 0.400 1 528 51 73 GLU H H 8.098 0.020 1 529 51 73 GLU CA C 55.840 0.400 1 530 51 73 GLU HA H 4.321 0.020 1 531 51 73 GLU CB C 30.300 0.400 1 532 51 73 GLU HB2 H 1.605 0.020 1 533 51 73 GLU HB3 H 1.605 0.020 1 534 51 73 GLU CG C 36.070 0.400 1 535 51 73 GLU HG2 H 2.141 0.020 1 536 51 73 GLU HG3 H 2.141 0.020 1 537 51 73 GLU C C 176.590 0.400 1 538 52 74 LEU N N 118.696 0.400 1 539 52 74 LEU H H 7.241 0.020 1 540 52 74 LEU CA C 54.540 0.400 1 541 52 74 LEU HA H 4.713 0.020 1 542 52 74 LEU CB C 42.730 0.400 1 543 52 74 LEU HB2 H 1.946 0.020 2 544 52 74 LEU HB3 H 1.374 0.020 2 545 52 74 LEU CG C 26.870 0.400 1 546 52 74 LEU HG H 1.744 0.020 1 547 52 74 LEU HD1 H 0.724 0.020 2 548 52 74 LEU HD2 H 0.551 0.020 2 549 52 74 LEU CD1 C 26.970 0.400 1 550 52 74 LEU CD2 C 23.800 0.400 1 551 52 74 LEU C C 177.666 0.400 1 552 53 75 GLY N N 110.724 0.400 1 553 53 75 GLY H H 9.401 0.020 1 554 53 75 GLY CA C 47.270 0.400 1 555 53 75 GLY HA2 H 4.237 0.020 2 556 53 75 GLY HA3 H 4.128 0.020 2 557 54 76 ARG CA C 57.650 0.400 1 558 54 76 ARG HA H 4.637 0.020 1 559 54 76 ARG CB C 31.270 0.400 1 560 54 76 ARG HB2 H 2.041 0.020 1 561 54 76 ARG HB3 H 2.041 0.020 1 562 54 76 ARG CG C 27.680 0.400 1 563 54 76 ARG HG2 H 1.797 0.020 1 564 54 76 ARG HG3 H 1.797 0.020 1 565 54 76 ARG CD C 43.500 0.400 1 566 54 76 ARG HD2 H 3.347 0.020 1 567 54 76 ARG HD3 H 3.347 0.020 1 568 54 76 ARG C C 176.108 0.400 1 569 55 77 LEU N N 119.622 0.400 1 570 55 77 LEU H H 8.157 0.020 1 571 55 77 LEU CA C 53.530 0.400 1 572 55 77 LEU HA H 4.833 0.020 1 573 55 77 LEU CB C 42.460 0.400 1 574 55 77 LEU HB2 H 1.815 0.020 2 575 55 77 LEU HB3 H 1.323 0.020 2 576 55 77 LEU CG C 27.020 0.400 1 577 55 77 LEU HG H 1.657 0.020 1 578 55 77 LEU HD1 H 0.934 0.020 2 579 55 77 LEU HD2 H 0.830 0.020 2 580 55 77 LEU CD1 C 25.180 0.400 1 581 55 77 LEU CD2 C 22.980 0.400 1 582 55 77 LEU C C 177.425 0.400 1 583 56 78 GLY N N 112.179 0.400 1 584 56 78 GLY H H 9.074 0.020 1 585 56 78 GLY CA C 46.650 0.400 1 586 56 78 GLY HA2 H 2.917 0.020 2 587 56 78 GLY HA3 H 2.844 0.020 2 588 56 78 GLY C C 172.269 0.400 1 589 57 79 TYR N N 123.275 0.400 1 590 57 79 TYR H H 7.890 0.020 1 591 57 79 TYR CA C 56.100 0.400 1 592 57 79 TYR HA H 4.950 0.020 1 593 57 79 TYR CB C 42.110 0.400 1 594 57 79 TYR HB2 H 2.818 0.020 1 595 57 79 TYR HB3 H 2.818 0.020 1 596 57 79 TYR CD1 C 133.200 0.400 1 597 57 79 TYR HD1 H 6.858 0.020 1 598 57 79 TYR CE1 C 118.000 0.400 1 599 57 79 TYR HE1 H 6.667 0.020 1 600 57 79 TYR HE2 H 6.667 0.020 1 601 57 79 TYR HD2 H 6.858 0.020 1 602 57 79 TYR C C 176.237 0.400 1 603 58 80 SER N N 123.659 0.400 1 604 58 80 SER H H 8.899 0.020 1 605 58 80 SER CA C 59.130 0.400 1 606 58 80 SER HA H 4.549 0.020 1 607 58 80 SER CB C 62.760 0.400 1 608 58 80 SER HB2 H 3.660 0.020 1 609 58 80 SER HB3 H 3.660 0.020 1 610 58 80 SER C C 174.726 0.400 1 611 59 81 VAL N N 114.520 0.400 1 612 59 81 VAL H H 8.201 0.020 1 613 59 81 VAL CA C 60.010 0.400 1 614 59 81 VAL HA H 4.573 0.020 1 615 59 81 VAL CB C 33.860 0.400 1 616 59 81 VAL HB H 2.485 0.020 1 617 59 81 VAL HG1 H 0.900 0.020 2 618 59 81 VAL HG2 H 0.625 0.020 2 619 59 81 VAL CG1 C 22.570 0.400 1 620 59 81 VAL CG2 C 19.240 0.400 1 621 59 81 VAL C C 173.393 0.400 1 622 60 82 TYR N N 120.061 0.400 1 623 60 82 TYR H H 7.445 0.020 1 624 60 82 TYR CA C 58.140 0.400 1 625 60 82 TYR HA H 4.602 0.020 1 626 60 82 TYR CB C 42.980 0.400 1 627 60 82 TYR HB2 H 3.148 0.020 2 628 60 82 TYR HB3 H 2.245 0.020 2 629 60 82 TYR CD1 C 132.700 0.400 1 630 60 82 TYR HD1 H 6.948 0.020 1 631 60 82 TYR CE1 C 118.700 0.400 1 632 60 82 TYR HE1 H 6.862 0.020 1 633 60 82 TYR HE2 H 6.862 0.020 1 634 60 82 TYR HD2 H 6.948 0.020 1 635 60 82 TYR C C 173.216 0.400 1 636 61 83 GLU N N 127.944 0.400 1 637 61 83 GLU H H 7.752 0.020 1 638 61 83 GLU CA C 56.540 0.400 1 639 61 83 GLU HA H 4.855 0.020 1 640 61 83 GLU CB C 32.290 0.400 1 641 61 83 GLU HB2 H 2.027 0.020 2 642 61 83 GLU HB3 H 1.659 0.020 2 643 61 83 GLU CG C 36.020 0.400 1 644 61 83 GLU HG2 H 2.184 0.020 2 645 61 83 GLU HG3 H 2.111 0.020 2 646 61 83 GLU C C 173.602 0.400 1 647 62 84 ASP N N 127.163 0.400 1 648 62 84 ASP H H 8.764 0.020 1 649 62 84 ASP CA C 52.730 0.400 1 650 62 84 ASP HA H 4.564 0.020 1 651 62 84 ASP CB C 41.330 0.400 1 652 62 84 ASP HB2 H 3.312 0.020 2 653 62 84 ASP HB3 H 2.651 0.020 2 654 62 84 ASP C C 175.465 0.400 1 655 63 85 ALA N N 117.522 0.400 1 656 63 85 ALA H H 8.140 0.020 1 657 63 85 ALA CA C 55.170 0.400 1 658 63 85 ALA HA H 4.055 0.020 1 659 63 85 ALA HB H 1.411 0.020 1 660 63 85 ALA CB C 18.900 0.400 1 661 63 85 ALA C C 178.084 0.400 1 662 64 86 GLN N N 113.898 0.400 1 663 64 86 GLN H H 8.800 0.020 1 664 64 86 GLN CA C 57.130 0.400 1 665 64 86 GLN HA H 4.310 0.020 1 666 64 86 GLN CB C 32.270 0.400 1 667 64 86 GLN HB2 H 1.413 0.020 2 668 64 86 GLN HB3 H 1.078 0.020 2 669 64 86 GLN CG C 34.500 0.400 1 670 64 86 GLN HG2 H 1.934 0.020 1 671 64 86 GLN HG3 H 1.934 0.020 1 672 64 86 GLN NE2 N 111.500 0.400 1 673 64 86 GLN HE21 H 7.414 0.020 2 674 64 86 GLN HE22 H 6.770 0.020 2 675 64 86 GLN C C 176.237 0.400 1 676 65 87 TYR N N 120.775 0.400 1 677 65 87 TYR H H 9.315 0.020 1 678 65 87 TYR CA C 56.820 0.400 1 679 65 87 TYR HA H 5.773 0.020 1 680 65 87 TYR CB C 43.820 0.400 1 681 65 87 TYR HB2 H 3.206 0.020 2 682 65 87 TYR HB3 H 2.795 0.020 2 683 65 87 TYR CD1 C 133.400 0.400 1 684 65 87 TYR HD1 H 7.123 0.020 1 685 65 87 TYR CE1 C 117.800 0.400 1 686 65 87 TYR HE1 H 6.706 0.020 1 687 65 87 TYR HE2 H 6.706 0.020 1 688 65 87 TYR HD2 H 7.123 0.020 1 689 65 87 TYR C C 173.907 0.400 1 690 66 88 ILE N N 118.196 0.400 1 691 66 88 ILE H H 8.854 0.020 1 692 66 88 ILE CA C 59.660 0.400 1 693 66 88 ILE HA H 4.970 0.020 1 694 66 88 ILE CB C 41.960 0.400 1 695 66 88 ILE HB H 1.607 0.020 1 696 66 88 ILE HG2 H 0.720 0.020 1 697 66 88 ILE CG2 C 16.840 0.400 1 698 66 88 ILE CG1 C 28.260 0.400 1 699 66 88 ILE HG12 H 1.670 0.020 2 700 66 88 ILE HG13 H 0.886 0.020 2 701 66 88 ILE HD1 H 0.893 0.020 1 702 66 88 ILE CD1 C 14.060 0.400 1 703 66 88 ILE C C 174.967 0.400 1 704 67 89 GLY N N 112.007 0.400 1 705 67 89 GLY H H 9.224 0.020 1 706 67 89 GLY CA C 44.770 0.400 1 707 67 89 GLY HA2 H 4.923 0.020 2 708 67 89 GLY HA3 H 2.503 0.020 2 709 67 89 GLY C C 171.722 0.400 1 710 68 90 HIS N N 124.254 0.400 1 711 68 90 HIS H H 8.827 0.020 1 712 68 90 HIS CA C 56.020 0.400 1 713 68 90 HIS HA H 4.933 0.020 1 714 68 90 HIS CB C 34.700 0.400 1 715 68 90 HIS HB2 H 3.113 0.020 2 716 68 90 HIS HB3 H 2.523 0.020 2 717 68 90 HIS CE1 C 138.400 0.400 1 718 68 90 HIS HD2 H 6.710 0.020 1 719 68 90 HIS HE1 H 7.548 0.020 1 720 68 90 HIS C C 173.570 0.400 1 721 69 91 ALA N N 124.598 0.400 1 722 69 91 ALA H H 9.476 0.020 1 723 69 91 ALA CA C 50.420 0.400 1 724 69 91 ALA HA H 5.701 0.020 1 725 69 91 ALA HB H 1.360 0.020 1 726 69 91 ALA CB C 23.590 0.400 1 727 69 91 ALA C C 176.397 0.400 1 728 70 92 PHE N N 119.958 0.400 1 729 70 92 PHE H H 9.602 0.020 1 730 70 92 PHE CA C 57.360 0.400 1 731 70 92 PHE HA H 5.093 0.020 1 732 70 92 PHE CB C 43.960 0.400 1 733 70 92 PHE HB2 H 3.363 0.020 2 734 70 92 PHE HB3 H 2.799 0.020 2 735 70 92 PHE CD1 C 133.200 0.400 1 736 70 92 PHE HD1 H 7.529 0.020 1 737 70 92 PHE CE1 C 131.500 0.400 1 738 70 92 PHE HE1 H 7.464 0.020 1 739 70 92 PHE CZ C 128.300 0.400 1 740 70 92 PHE HZ H 6.946 0.020 1 741 70 92 PHE HE2 H 7.464 0.020 1 742 70 92 PHE HD2 H 7.529 0.020 1 743 70 92 PHE C C 174.421 0.400 1 744 71 93 LYS N N 121.966 0.400 1 745 71 93 LYS H H 8.757 0.020 1 746 71 93 LYS CA C 55.700 0.400 1 747 71 93 LYS HA H 5.131 0.020 1 748 71 93 LYS CB C 35.410 0.400 1 749 71 93 LYS HB2 H 1.720 0.020 2 750 71 93 LYS HB3 H 1.498 0.020 2 751 71 93 LYS CG C 25.050 0.400 1 752 71 93 LYS HG2 H 1.131 0.020 2 753 71 93 LYS HG3 H 0.933 0.020 2 754 71 93 LYS CD C 29.760 0.400 1 755 71 93 LYS HD2 H 1.588 0.020 1 756 71 93 LYS HD3 H 1.588 0.020 1 757 71 93 LYS CE C 42.000 0.400 1 758 71 93 LYS HE2 H 2.815 0.020 2 759 71 93 LYS HE3 H 2.617 0.020 2 760 71 93 LYS C C 175.369 0.400 1 761 72 94 LYS N N 127.518 0.400 1 762 72 94 LYS H H 8.655 0.020 1 763 72 94 LYS CA C 55.670 0.400 1 764 72 94 LYS HA H 4.438 0.020 1 765 72 94 LYS CB C 35.130 0.400 1 766 72 94 LYS HB2 H 1.673 0.020 2 767 72 94 LYS HB3 H 1.443 0.020 2 768 72 94 LYS CG C 24.630 0.400 1 769 72 94 LYS HG2 H 1.382 0.020 2 770 72 94 LYS HG3 H 1.214 0.020 2 771 72 94 LYS CD C 29.470 0.400 1 772 72 94 LYS HD2 H 1.673 0.020 1 773 72 94 LYS HD3 H 1.673 0.020 1 774 72 94 LYS CE C 41.970 0.400 1 775 72 94 LYS HE2 H 2.946 0.020 1 776 72 94 LYS HE3 H 2.946 0.020 1 777 73 95 ALA H H 8.667 0.020 1 778 73 95 ALA CA C 53.450 0.400 1 779 73 95 ALA HA H 3.928 0.020 1 780 73 95 ALA HB H 1.340 0.020 1 781 73 95 ALA CB C 17.110 0.400 1 782 73 95 ALA C C 176.799 0.400 1 783 74 96 GLY N N 107.735 0.400 1 784 74 96 GLY H H 8.402 0.020 1 785 74 96 GLY CA C 45.470 0.400 1 786 74 96 GLY HA2 H 3.839 0.020 2 787 74 96 GLY HA3 H 3.578 0.020 2 788 74 96 GLY C C 172.847 0.400 1 789 75 97 HIS N N 117.490 0.400 1 790 75 97 HIS H H 7.726 0.020 1 791 75 97 HIS CA C 53.360 0.400 1 792 75 97 HIS HA H 4.898 0.020 1 793 75 97 HIS CB C 33.160 0.400 1 794 75 97 HIS HB2 H 3.121 0.020 2 795 75 97 HIS HB3 H 2.996 0.020 2 796 75 97 HIS CD2 C 119.100 0.400 1 797 75 97 HIS CE1 C 138.600 0.400 1 798 75 97 HIS HD2 H 6.704 0.020 1 799 75 97 HIS HE1 H 7.741 0.020 1 800 75 97 HIS C C 173.747 0.400 1 801 76 98 PHE N N 118.196 0.400 1 802 76 98 PHE H H 8.880 0.020 1 803 76 98 PHE CA C 56.600 0.400 1 804 76 98 PHE HA H 5.514 0.020 1 805 76 98 PHE CB C 41.770 0.400 1 806 76 98 PHE HB2 H 2.983 0.020 2 807 76 98 PHE HB3 H 2.906 0.020 2 808 76 98 PHE CD1 C 132.000 0.400 1 809 76 98 PHE HD1 H 7.008 0.020 1 810 76 98 PHE CE1 C 131.800 0.400 1 811 76 98 PHE HE1 H 7.145 0.020 1 812 76 98 PHE CZ C 129.900 0.400 1 813 76 98 PHE HZ H 7.369 0.020 1 814 76 98 PHE HE2 H 7.145 0.020 1 815 76 98 PHE HD2 H 7.008 0.020 1 816 76 98 PHE C C 174.566 0.400 1 817 77 99 ILE N N 123.447 0.400 1 818 77 99 ILE H H 9.175 0.020 1 819 77 99 ILE CA C 59.430 0.400 1 820 77 99 ILE HA H 5.339 0.020 1 821 77 99 ILE CB C 42.320 0.400 1 822 77 99 ILE HB H 1.481 0.020 1 823 77 99 ILE HG2 H 0.524 0.020 1 824 77 99 ILE CG2 C 16.990 0.400 1 825 77 99 ILE CG1 C 28.260 0.400 1 826 77 99 ILE HG12 H 1.477 0.020 2 827 77 99 ILE HG13 H 0.838 0.020 2 828 77 99 ILE HD1 H 0.827 0.020 1 829 77 99 ILE CD1 C 15.070 0.400 1 830 77 99 ILE C C 174.518 0.400 1 831 78 100 VAL N N 125.709 0.400 1 832 78 100 VAL H H 9.249 0.020 1 833 78 100 VAL CA C 59.480 0.400 1 834 78 100 VAL HA H 5.044 0.020 1 835 78 100 VAL CB C 33.900 0.400 1 836 78 100 VAL HB H 1.869 0.020 1 837 78 100 VAL HG1 H 0.089 0.020 2 838 78 100 VAL HG2 H 0.919 0.020 2 839 78 100 VAL CG1 C 21.540 0.400 1 840 78 100 VAL CG2 C 21.820 0.400 1 841 78 100 VAL C C 175.241 0.400 1 842 79 101 TYR N N 122.892 0.400 1 843 79 101 TYR H H 8.938 0.020 1 844 79 101 TYR CA C 57.040 0.400 1 845 79 101 TYR HA H 5.207 0.020 1 846 79 101 TYR CB C 42.650 0.400 1 847 79 101 TYR HB2 H 2.930 0.020 2 848 79 101 TYR HB3 H 2.778 0.020 2 849 79 101 TYR CD1 C 132.500 0.400 1 850 79 101 TYR HD1 H 7.069 0.020 1 851 79 101 TYR CE1 C 118.300 0.400 1 852 79 101 TYR HE1 H 6.498 0.020 1 853 79 101 TYR HE2 H 6.498 0.020 1 854 79 101 TYR HD2 H 7.069 0.020 1 855 79 101 TYR C C 175.706 0.400 1 856 80 102 PHE N N 120.883 0.400 1 857 80 102 PHE H H 8.566 0.020 1 858 80 102 PHE CA C 56.500 0.400 1 859 80 102 PHE HA H 5.822 0.020 1 860 80 102 PHE CB C 40.720 0.400 1 861 80 102 PHE HB2 H 2.365 0.020 2 862 80 102 PHE HB3 H 2.255 0.020 2 863 80 102 PHE CD1 C 130.700 0.400 1 864 80 102 PHE HD1 H 6.648 0.020 1 865 80 102 PHE CZ C 128.700 0.400 1 866 80 102 PHE HZ H 6.664 0.020 1 867 80 102 PHE HD2 H 6.648 0.020 1 868 80 102 PHE C C 175.208 0.400 1 869 81 103 THR N N 114.506 0.400 1 870 81 103 THR H H 9.749 0.020 1 871 81 103 THR CA C 57.880 0.400 1 872 81 103 THR HA H 5.298 0.020 1 873 81 103 THR CB C 69.650 0.400 1 874 81 103 THR HB H 4.375 0.020 1 875 81 103 THR HG2 H 1.253 0.020 1 876 81 103 THR CG2 C 23.330 0.400 1 877 82 104 PRO CD C 51.460 0.400 1 878 82 104 PRO CA C 62.370 0.400 1 879 82 104 PRO HA H 5.196 0.020 1 880 82 104 PRO CB C 32.220 0.400 1 881 82 104 PRO HB2 H 2.526 0.020 2 882 82 104 PRO HB3 H 2.157 0.020 2 883 82 104 PRO CG C 28.190 0.400 1 884 82 104 PRO HG2 H 2.423 0.020 2 885 82 104 PRO HG3 H 2.263 0.020 2 886 82 104 PRO HD2 H 4.191 0.020 2 887 82 104 PRO HD3 H 3.934 0.020 2 888 82 104 PRO C C 178.004 0.400 1 889 83 105 LYS N N 124.110 0.400 1 890 83 105 LYS H H 8.451 0.020 1 891 83 105 LYS CA C 57.510 0.400 1 892 83 105 LYS HA H 4.218 0.020 1 893 83 105 LYS CB C 33.170 0.400 1 894 83 105 LYS HB2 H 1.733 0.020 2 895 83 105 LYS HB3 H 1.464 0.020 2 896 83 105 LYS CG C 26.160 0.400 1 897 83 105 LYS HG2 H 1.341 0.020 2 898 83 105 LYS HG3 H 1.269 0.020 2 899 83 105 LYS CD C 29.630 0.400 1 900 83 105 LYS HD2 H 1.589 0.020 1 901 83 105 LYS HD3 H 1.589 0.020 1 902 83 105 LYS CE C 41.810 0.400 1 903 83 105 LYS HE2 H 2.812 0.020 1 904 83 105 LYS HE3 H 2.812 0.020 1 905 83 105 LYS C C 176.301 0.400 1 906 84 106 ASN N N 119.109 0.400 1 907 84 106 ASN H H 8.566 0.020 1 908 84 106 ASN CA C 52.790 0.400 1 909 84 106 ASN HA H 4.738 0.020 1 910 84 106 ASN CB C 39.080 0.400 1 911 84 106 ASN HB2 H 2.837 0.020 2 912 84 106 ASN HB3 H 2.789 0.020 2 913 84 106 ASN ND2 N 113.100 0.400 1 914 84 106 ASN HD21 H 7.649 0.020 2 915 84 106 ASN HD22 H 6.983 0.020 2 916 84 106 ASN C C 175.080 0.400 1 917 85 107 LYS N N 122.348 0.400 1 918 85 107 LYS H H 8.457 0.020 1 919 85 107 LYS CA C 56.920 0.400 1 920 85 107 LYS HA H 4.311 0.020 1 921 85 107 LYS CB C 32.990 0.400 1 922 85 107 LYS HB2 H 1.838 0.020 2 923 85 107 LYS HB3 H 1.718 0.020 2 924 85 107 LYS CG C 24.850 0.400 1 925 85 107 LYS HG2 H 1.453 0.020 1 926 85 107 LYS HG3 H 1.453 0.020 1 927 85 107 LYS C C 176.188 0.400 1 928 86 108 ASN N N 119.907 0.400 1 929 86 108 ASN H H 8.472 0.020 1 930 86 108 ASN CA C 53.390 0.400 1 931 86 108 ASN HA H 4.692 0.020 1 932 86 108 ASN CB C 38.690 0.400 1 933 86 108 ASN HB2 H 2.844 0.020 2 934 86 108 ASN HB3 H 2.794 0.020 2 935 87 109 ARG N N 121.825 0.400 1 936 87 109 ARG H H 8.381 0.020 1 937 87 109 ARG CA C 56.370 0.400 1 938 87 109 ARG HA H 4.321 0.020 1 939 87 109 ARG CB C 30.480 0.400 1 940 87 109 ARG HB2 H 1.885 0.020 2 941 87 109 ARG HB3 H 1.776 0.020 2 942 87 109 ARG CG C 27.140 0.400 1 943 87 109 ARG HG2 H 1.605 0.020 1 944 87 109 ARG HG3 H 1.605 0.020 1 945 87 109 ARG CD C 43.340 0.400 1 946 87 109 ARG HD2 H 3.209 0.020 2 947 87 109 ARG HD3 H 3.154 0.020 2 948 87 109 ARG C C 176.156 0.400 1 949 88 110 GLU N N 121.701 0.400 1 950 88 110 GLU H H 8.449 0.020 1 951 88 110 GLU CA C 56.920 0.400 1 952 88 110 GLU HA H 4.299 0.020 1 953 88 110 GLU CB C 30.160 0.400 1 954 88 110 GLU HB2 H 2.065 0.020 1 955 88 110 GLU HB3 H 2.065 0.020 1 956 88 110 GLU CG C 36.510 0.400 1 957 88 110 GLU HG2 H 2.272 0.020 1 958 88 110 GLU HG3 H 2.272 0.020 1 959 88 110 GLU C C 176.895 0.400 1 960 89 111 GLY N N 110.171 0.400 1 961 89 111 GLY H H 8.431 0.020 1 962 89 111 GLY CA C 45.340 0.400 1 963 89 111 GLY HA2 H 3.967 0.020 1 964 89 111 GLY HA3 H 3.967 0.020 1 965 89 111 GLY C C 173.907 0.400 1 966 90 112 VAL N N 119.719 0.400 1 967 90 112 VAL H H 7.932 0.020 1 968 90 112 VAL CA C 62.250 0.400 1 969 90 112 VAL HA H 4.133 0.020 1 970 90 112 VAL CB C 32.680 0.400 1 971 90 112 VAL HB H 2.040 0.020 1 972 90 112 VAL HG1 H 0.900 0.020 1 973 90 112 VAL HG2 H 0.900 0.020 1 974 90 112 VAL CG1 C 20.720 0.400 1 975 90 112 VAL C C 176.044 0.400 1 976 91 113 VAL N N 126.427 0.400 1 977 91 113 VAL H H 8.304 0.020 1 978 91 113 VAL CA C 59.850 0.400 1 979 91 113 VAL HA H 4.425 0.020 1 980 91 113 VAL CB C 32.580 0.400 1 981 91 113 VAL HB H 2.062 0.020 1 982 91 113 VAL HG1 H 0.978 0.020 2 983 91 113 VAL HG2 H 0.934 0.020 2 984 91 113 VAL CG1 C 21.040 0.400 1 985 91 113 VAL CG2 C 20.560 0.400 1 986 92 114 PRO CD C 51.080 0.400 1 987 92 114 PRO CA C 61.340 0.400 1 988 92 114 PRO HA H 4.665 0.020 1 989 92 114 PRO CB C 31.080 0.400 1 990 92 114 PRO HB2 H 2.348 0.020 2 991 92 114 PRO HB3 H 1.883 0.020 2 992 92 114 PRO CG C 27.920 0.400 1 993 92 114 PRO HG2 H 2.036 0.020 1 994 92 114 PRO HG3 H 2.036 0.020 1 995 92 114 PRO HD2 H 3.943 0.020 2 996 92 114 PRO HD3 H 3.689 0.020 2 997 93 115 PRO CD C 50.520 0.400 1 998 93 115 PRO CA C 62.670 0.400 1 999 93 115 PRO HA H 4.484 0.020 1 1000 93 115 PRO CB C 32.130 0.400 1 1001 93 115 PRO HB2 H 2.280 0.020 2 1002 93 115 PRO HB3 H 1.909 0.020 2 1003 93 115 PRO CG C 27.620 0.400 1 1004 93 115 PRO HG2 H 2.031 0.020 1 1005 93 115 PRO HG3 H 2.031 0.020 1 1006 93 115 PRO HD2 H 3.815 0.020 2 1007 93 115 PRO HD3 H 3.629 0.020 2 1008 93 115 PRO C C 176.895 0.400 1 1009 94 116 VAL N N 120.064 0.400 1 1010 94 116 VAL H H 8.149 0.020 1 1011 94 116 VAL CA C 62.500 0.400 1 1012 94 116 VAL HA H 4.092 0.020 1 1013 94 116 VAL CB C 32.930 0.400 1 1014 94 116 VAL HB H 2.058 0.020 1 1015 94 116 VAL HG1 H 0.949 0.020 2 1016 94 116 VAL HG2 H 0.970 0.020 2 1017 94 116 VAL CG1 C 21.370 0.400 1 1018 94 116 VAL CG2 C 20.630 0.400 1 1019 94 116 VAL C C 176.735 0.400 1 1020 95 117 GLY N N 112.405 0.400 1 1021 95 117 GLY H H 8.448 0.020 1 1022 95 117 GLY CA C 45.220 0.400 1 1023 95 117 GLY HA2 H 3.994 0.020 2 1024 95 117 GLY HA3 H 3.923 0.020 2 1025 95 117 GLY C C 173.827 0.400 1 1026 96 118 ILE N N 120.302 0.400 1 1027 96 118 ILE H H 8.030 0.020 1 1028 96 118 ILE CA C 61.060 0.400 1 1029 96 118 ILE HA H 4.282 0.020 1 1030 96 118 ILE CB C 38.800 0.400 1 1031 96 118 ILE HB H 1.895 0.020 1 1032 96 118 ILE HG2 H 0.915 0.020 1 1033 96 118 ILE CG2 C 17.670 0.400 1 1034 96 118 ILE CG1 C 27.180 0.400 1 1035 96 118 ILE HG12 H 1.447 0.020 2 1036 96 118 ILE HG13 H 1.192 0.020 2 1037 96 118 ILE HD1 H 0.858 0.020 1 1038 96 118 ILE CD1 C 13.020 0.400 1 1039 96 118 ILE C C 176.542 0.400 1 1040 97 119 THR N N 117.958 0.400 1 1041 97 119 THR H H 8.282 0.020 1 1042 97 119 THR CA C 61.510 0.400 1 1043 97 119 THR HA H 4.417 0.020 1 1044 97 119 THR CB C 69.960 0.400 1 1045 97 119 THR HB H 4.255 0.020 1 1046 97 119 THR HG2 H 1.183 0.020 1 1047 97 119 THR CG2 C 21.440 0.400 1 1048 97 119 THR C C 173.457 0.400 1 1049 98 120 ASN N N 126.555 0.400 1 1050 98 120 ASN H H 8.098 0.020 1 1051 98 120 ASN CA C 54.800 0.400 1 1052 98 120 ASN HA H 4.511 0.020 1 1053 98 120 ASN CB C 40.980 0.400 1 1054 98 120 ASN HB2 H 2.798 0.020 2 1055 98 120 ASN HB3 H 2.767 0.020 2 stop_ save_