data_4929 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The 1H, 15N and 13C resonance assignments for the Tctex1 dynein light chain from Chlamydomonas flagella ; _BMRB_accession_number 4929 _BMRB_flat_file_name bmr4929.str _Entry_type original _Submission_date 2000-12-19 _Accession_date 2000-12-19 _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 Wu Hongwei . . 2 Maciejewski Mark W. . 3 Benashski Sharon E. . 4 Mullen Gregory P. . 5 King Stephen M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 325 "13C chemical shifts" 403 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-05-17 original author . stop_ _Original_release_date 2001-05-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 15N and 13C resonance assignments for the Tctex1 dynein light chain from Chlamydomonas flagella ; _Citation_status published _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 Wu Hongwei . . 2 Maciejewski Mark W. . 3 Benashski Sharon E. . 4 Mullen Gregory P. . 5 King Stephen M. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 20 _Journal_issue 20 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 89 _Page_last 90 _Year 2001 _Details . loop_ _Keyword Chlamydomonas dynein flagella microtubule Tctex1 stop_ save_ ################################## # Molecular system description # ################################## save_system_Tctex1 _Saveframe_category molecular_system _Mol_system_name 'Tctex1 dimer' _Abbreviation_common Tctex1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Tctex1 subunit 1' $Tctex1 'Tctex1 subunit 2' $Tctex1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'Tctex1 subunit 1' 1 'Tctex1 subunit 2' stop_ loop_ _Biological_function 'Component of cytoplasmic and flagellar dynein. Involved in motor-cargo interactions' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Tctex1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Chlamydomonas Tctex1' _Abbreviation_common Tctex1 _Molecular_mass 12668 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 114 _Mol_residue_sequence ; MEGVDPAVEEAAFVADDVSN IIKESIDAVLQNQQYSEAKV SQWTSSCLEHCIKRLTALNK PFKYVVTCIIMQKNGAGLHT AASCWWDSTTDGSRTVRWEN KSMYCICTVFGLAI ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 GLY 4 VAL 5 ASP 6 PRO 7 ALA 8 VAL 9 GLU 10 GLU 11 ALA 12 ALA 13 PHE 14 VAL 15 ALA 16 ASP 17 ASP 18 VAL 19 SER 20 ASN 21 ILE 22 ILE 23 LYS 24 GLU 25 SER 26 ILE 27 ASP 28 ALA 29 VAL 30 LEU 31 GLN 32 ASN 33 GLN 34 GLN 35 TYR 36 SER 37 GLU 38 ALA 39 LYS 40 VAL 41 SER 42 GLN 43 TRP 44 THR 45 SER 46 SER 47 CYS 48 LEU 49 GLU 50 HIS 51 CYS 52 ILE 53 LYS 54 ARG 55 LEU 56 THR 57 ALA 58 LEU 59 ASN 60 LYS 61 PRO 62 PHE 63 LYS 64 TYR 65 VAL 66 VAL 67 THR 68 CYS 69 ILE 70 ILE 71 MET 72 GLN 73 LYS 74 ASN 75 GLY 76 ALA 77 GLY 78 LEU 79 HIS 80 THR 81 ALA 82 ALA 83 SER 84 CYS 85 TRP 86 TRP 87 ASP 88 SER 89 THR 90 THR 91 ASP 92 GLY 93 SER 94 ARG 95 THR 96 VAL 97 ARG 98 TRP 99 GLU 100 ASN 101 LYS 102 SER 103 MET 104 TYR 105 CYS 106 ILE 107 CYS 108 THR 109 VAL 110 PHE 111 GLY 112 LEU 113 ALA 114 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 1XDX "Solution Structure Of The Tctex1 Light Chain From Chlamydomonas Inner Dynein Arm I1" 100.00 114 100.00 100.00 2.35e-78 GB AAC18035 "dynein light chain Tctex1 [Chlamydomonas reinhardtii]" 100.00 114 100.00 100.00 2.35e-78 GB EDO97227 "flagellar inner arm dynein light chain Tctex1 [Chlamydomonas reinhardtii]" 100.00 114 100.00 100.00 2.35e-78 REF XP_001702138 "flagellar inner arm dynein light chain Tctex1 [Chlamydomonas reinhardtii]" 100.00 114 100.00 100.00 2.35e-78 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $Tctex1 'Chlamydomonas reinhardtii' 3055 Eukaryota Viridiplantae Chlamydomonas reinhardtii 1132 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 $Tctex1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Tctex1_dimer _Saveframe_category sample _Sample_type solution _Details 'the dimer concentration is 0.7 mM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Tctex1 1.4 mM '[U-97% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 97.0 loop_ _Task 'processing spectra' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.13 loop_ _Task assignments stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 500 _Details . save_ save_NMR_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_______________________(6388_x_4400_x_1418_Hz,_512_x_55_x_30,_48_scans)_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNCA (6388 x 4400 x 1418 Hz, 512 x 55 x 30, 48 scans)' _Sample_label . save_ save_HN(CO)CA___________________(6388_x_4400_x_141_8_Hz,_512_x_55_x_30,_48_scans)_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'HN(CO)CA (6388 x 4400 x 141 8 Hz, 512 x 55 x 30, 48 scans)' _Sample_label . save_ save_HNCACB_____________________(6388_x_8000_x_1418_Hz,_512_x_50_x_32,_64_scans)_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNCACB (6388 x 8000 x 1418 Hz, 512 x 50 x 32, 64 scans)' _Sample_label . save_ save_CBCA(CO)NH_________________(6388_x_8000_x_1418_Hz,_512_x_46_x_31,_64_scans)_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'CBCA(CO)NH (6388 x 8000 x 1418 Hz, 512 x 46 x 31, 64 scans)' _Sample_label . save_ save_HNCO_______________________(6388_x_2200_x_1418_Hz,_512_x_48_x_29,_32_scans)_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNCO (6388 x 2200 x 1418 Hz, 512 x 48 x 29, 32 scans)' _Sample_label . save_ save_(HACA)CO(CA)NH_____________(6388_x_2200_x_1418_Hz,_512_x_48_x_28,_80_scans)_6 _Saveframe_category NMR_applied_experiment _Experiment_name '(HACA)CO(CA)NH (6388 x 2200 x 1418 Hz, 512 x 48 x 28, 80 scans)' _Sample_label . save_ save_HNHA_______________________(7654_x_7654_x_1700_Hz,_512_x_60_x_28,_48_scans)_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNHA (7654 x 7654 x 1700 Hz, 512 x 60 x 28, 48 scans)' _Sample_label . save_ save_3D_1H-15N_NOESY-HSQC_________(7654_x_7654_x_1700_Hz,_512_x_96_x_32,_32_scans)_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-HSQC (7654 x 7654 x 1700 Hz, 512 x 96 x 32, 32 scans)' _Sample_label . save_ save_C(CO)NH-TOCSY______________(6388_x_9000_x_1418_Hz,_512_x_96_x_28,_48_scans)_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'C(CO)NH-TOCSY (6388 x 9000 x 1418 Hz, 512 x 96 x 28, 48 scans)' _Sample_label . save_ save_HC(CO)NH-TOCSY_____________(6388_x_6388_x_1418_Hz,_512_x_72_x_28,_64_scans)_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'HC(CO)NH-TOCSY (6388 x 6388 x 1418 Hz, 512 x 72 x 28, 64 scans)' _Sample_label . save_ save_HACA(CO)CANH_______________(6388_x_2200_x_1418_Hz,_512_x_48_x_28,_80_scans)._11 _Saveframe_category NMR_applied_experiment _Experiment_name 'HACA(CO)CANH (6388 x 2200 x 1418 Hz, 512 x 48 x 28, 80 scans).' _Sample_label . save_ save_2D_1H-15N_HSQC_____________(6388_x_1418_Hz,_512_x_80,_16_scans)_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC (6388 x 1418 Hz, 512 x 80, 16 scans)' _Sample_label . save_ save_2D_1H-13C_HSQC_____________(7654_x_12000_Hz,_512_x_400,_64_scans)_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC (7654 x 12000 Hz, 512 x 400, 64 scans)' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNCA (6388 x 4400 x 1418 Hz, 512 x 55 x 30, 48 scans)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'HN(CO)CA (6388 x 4400 x 141 8 Hz, 512 x 55 x 30, 48 scans)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNCACB (6388 x 8000 x 1418 Hz, 512 x 50 x 32, 64 scans)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'CBCA(CO)NH (6388 x 8000 x 1418 Hz, 512 x 46 x 31, 64 scans)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNCO (6388 x 2200 x 1418 Hz, 512 x 48 x 29, 32 scans)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '(HACA)CO(CA)NH (6388 x 2200 x 1418 Hz, 512 x 48 x 28, 80 scans)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNHA (7654 x 7654 x 1700 Hz, 512 x 60 x 28, 48 scans)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-HSQC (7654 x 7654 x 1700 Hz, 512 x 96 x 32, 32 scans)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'C(CO)NH-TOCSY (6388 x 9000 x 1418 Hz, 512 x 96 x 28, 48 scans)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'HC(CO)NH-TOCSY (6388 x 6388 x 1418 Hz, 512 x 72 x 28, 64 scans)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'HACA(CO)CANH (6388 x 2200 x 1418 Hz, 512 x 48 x 28, 80 scans).' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC (6388 x 1418 Hz, 512 x 80, 16 scans)' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC (7654 x 12000 Hz, 512 x 400, 64 scans)' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.7 0.2 n/a 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 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_Tctex1_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $Tctex1_dimer stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Tctex1 subunit 1' _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 MET HA H 4.47 0.01 1 2 . 1 MET C C 175.52 0.01 1 3 . 1 MET CA C 55.37 0.01 1 4 . 1 MET CB C 33.04 0.01 1 5 . 1 MET CG C 31.97 0.01 1 6 . 2 GLU H H 8.72 0.01 1 7 . 2 GLU HA H 4.28 0.01 1 8 . 2 GLU C C 177.02 0.01 1 9 . 2 GLU CA C 57.09 0.01 1 10 . 2 GLU CB C 30.32 0.01 1 11 . 2 GLU CG C 36.17 0.01 1 12 . 2 GLU N N 123.36 0.01 1 13 . 3 GLY H H 8.56 0.01 1 14 . 3 GLY HA2 H 3.97 0.01 2 15 . 3 GLY C C 173.82 0.01 1 16 . 3 GLY CA C 45.42 0.01 1 17 . 3 GLY N N 110.75 0.01 1 18 . 4 VAL H H 7.83 0.01 1 19 . 4 VAL HA H 4.15 0.01 1 20 . 4 VAL HB H 2.02 0.01 1 21 . 4 VAL HG1 H 0.88 0.01 2 22 . 4 VAL C C 175.59 0.01 1 23 . 4 VAL CA C 61.84 0.01 1 24 . 4 VAL CB C 33.17 0.01 1 25 . 4 VAL CG1 C 20.79 0.01 2 26 . 4 VAL N N 119.02 0.01 1 27 . 5 ASP H H 8.45 0.01 1 28 . 5 ASP HA H 4.88 0.01 1 29 . 5 ASP HB2 H 2.54 0.01 2 30 . 5 ASP HB3 H 2.80 0.01 2 31 . 5 ASP C C 174.67 0.01 1 32 . 5 ASP CA C 52.30 0.01 1 33 . 5 ASP CB C 41.31 0.01 1 34 . 5 ASP N N 126.04 0.01 1 35 . 6 PRO HA H 4.37 0.01 1 36 . 6 PRO HB2 H 1.98 0.01 2 37 . 6 PRO HB3 H 2.32 0.01 2 38 . 6 PRO HG2 H 2.05 0.01 2 39 . 6 PRO HD2 H 3.83 0.01 2 40 . 6 PRO HD3 H 3.93 0.01 2 41 . 6 PRO C C 176.89 0.01 1 42 . 6 PRO CA C 63.52 0.01 1 43 . 6 PRO CB C 32.20 0.01 1 44 . 6 PRO CG C 27.20 0.01 1 45 . 6 PRO CD C 50.87 0.01 1 46 . 7 ALA H H 8.40 0.01 1 47 . 7 ALA HA H 4.28 0.01 1 48 . 7 ALA HB H 1.41 0.01 1 49 . 7 ALA C C 178.39 0.01 1 50 . 7 ALA CA C 53.03 0.01 1 51 . 7 ALA CB C 19.09 0.01 1 52 . 7 ALA N N 122.97 0.01 1 53 . 8 VAL H H 7.87 0.01 1 54 . 8 VAL HA H 4.03 0.01 1 55 . 8 VAL HB H 2.25 0.01 1 56 . 8 VAL HG1 H 0.96 0.01 2 57 . 8 VAL C C 176.66 0.01 1 58 . 8 VAL CA C 63.38 0.01 1 59 . 8 VAL CB C 32.48 0.01 1 60 . 8 VAL CG1 C 20.54 0.01 2 61 . 8 VAL N N 117.81 0.01 1 62 . 9 GLU H H 8.29 0.01 1 63 . 9 GLU HA H 4.19 0.01 1 64 . 9 GLU C C 176.79 0.01 1 65 . 9 GLU CA C 57.21 0.01 1 66 . 9 GLU CB C 30.46 0.01 1 67 . 9 GLU CG C 36.60 0.01 1 68 . 9 GLU N N 122.00 0.01 1 69 . 10 GLU H H 8.21 0.01 1 70 . 10 GLU HA H 4.29 0.01 1 71 . 10 GLU HB2 H 1.98 0.01 2 72 . 10 GLU HB3 H 2.08 0.01 2 73 . 10 GLU HG2 H 2.30 0.01 2 74 . 10 GLU C C 176.55 0.01 1 75 . 10 GLU CA C 56.95 0.01 1 76 . 10 GLU CB C 30.57 0.01 1 77 . 10 GLU CG C 36.33 0.01 1 78 . 10 GLU N N 120.25 0.01 1 79 . 11 ALA H H 8.17 0.01 1 80 . 11 ALA HA H 4.04 0.01 1 81 . 11 ALA HB H 1.36 0.01 1 82 . 11 ALA C C 177.32 0.01 1 83 . 11 ALA CA C 52.71 0.01 1 84 . 11 ALA CB C 19.46 0.01 1 85 . 11 ALA N N 124.16 0.01 1 86 . 12 ALA H H 8.12 0.01 1 87 . 12 ALA HA H 3.99 0.01 1 88 . 12 ALA HB H 1.39 0.01 1 89 . 12 ALA C C 177.30 0.01 1 90 . 12 ALA CA C 52.42 0.01 1 91 . 12 ALA CB C 19.25 0.01 1 92 . 12 ALA N N 122.95 0.01 1 93 . 13 PHE H H 8.09 0.01 1 94 . 13 PHE HA H 4.57 0.01 1 95 . 13 PHE HB2 H 3.07 0.01 2 96 . 13 PHE C C 175.24 0.01 1 97 . 13 PHE CA C 57.76 0.01 1 98 . 13 PHE CB C 39.77 0.01 1 99 . 13 PHE N N 119.75 0.01 1 100 . 14 VAL H H 7.94 0.01 1 101 . 14 VAL HA H 4.02 0.01 1 102 . 14 VAL HB H 1.98 0.01 1 103 . 14 VAL HG1 H 0.88 0.01 2 104 . 14 VAL C C 174.36 0.01 1 105 . 14 VAL CA C 62.14 0.01 1 106 . 14 VAL CB C 33.26 0.01 1 107 . 14 VAL CG1 C 20.85 0.01 2 108 . 14 VAL N N 124.10 0.01 1 109 . 15 ALA H H 7.84 0.01 1 110 . 15 ALA HA H 4.03 0.01 1 111 . 15 ALA C C 182.43 0.01 1 112 . 15 ALA CA C 53.86 0.01 1 113 . 15 ALA CB C 20.23 0.01 1 114 . 15 ALA N N 105.49 0.01 1 115 . 16 ASP HA H 5.10 0.01 1 116 . 16 ASP C C 176.46 0.01 1 117 . 16 ASP CA C 56.41 0.01 1 118 . 17 ASP H H 8.43 0.01 1 119 . 17 ASP HA H 4.16 0.01 1 120 . 17 ASP C C 178.79 0.01 1 121 . 17 ASP CA C 56.81 0.01 1 122 . 17 ASP CB C 40.09 0.01 1 123 . 17 ASP N N 122.00 0.01 1 124 . 18 VAL H H 7.92 0.01 1 125 . 18 VAL HA H 3.41 0.01 1 126 . 18 VAL HB H 1.83 0.01 1 127 . 18 VAL HG1 H 0.70 0.01 2 128 . 18 VAL C C 177.23 0.01 1 129 . 18 VAL CA C 66.64 0.01 1 130 . 18 VAL CB C 31.52 0.01 1 131 . 18 VAL CG1 C 21.46 0.01 2 132 . 18 VAL N N 120.00 0.01 1 133 . 19 SER H H 8.39 0.01 1 134 . 19 SER HA H 4.41 0.01 1 135 . 19 SER C C 176.21 0.01 1 136 . 19 SER CA C 63.15 0.01 1 137 . 19 SER N N 116.29 0.01 1 138 . 20 ASN H H 8.01 0.01 1 139 . 20 ASN HA H 4.54 0.01 1 140 . 20 ASN HB2 H 2.83 0.01 2 141 . 20 ASN C C 177.34 0.01 1 142 . 20 ASN CA C 56.54 0.01 1 143 . 20 ASN CB C 38.07 0.01 1 144 . 20 ASN N N 119.38 0.01 1 145 . 21 ILE H H 7.72 0.01 1 146 . 21 ILE HA H 4.06 0.01 1 147 . 21 ILE C C 178.74 0.01 1 148 . 21 ILE CA C 65.97 0.01 1 149 . 21 ILE CB C 38.27 0.01 1 150 . 21 ILE N N 121.04 0.01 1 151 . 22 ILE H H 8.17 0.01 1 152 . 22 ILE HA H 3.82 0.01 1 153 . 22 ILE C C 177.43 0.01 1 154 . 22 ILE CA C 66.11 0.01 1 155 . 22 ILE CB C 38.77 0.01 1 156 . 22 ILE CG1 C 20.10 0.01 2 157 . 22 ILE CD1 C 17.15 0.01 1 158 . 22 ILE N N 121.56 0.01 1 159 . 23 LYS H H 8.24 0.01 1 160 . 23 LYS HA H 3.72 0.01 1 161 . 23 LYS C C 178.06 0.01 1 162 . 23 LYS CA C 60.78 0.01 1 163 . 23 LYS CB C 32.84 0.01 1 164 . 23 LYS CG C 25.51 0.01 1 165 . 23 LYS CD C 29.11 0.01 1 166 . 23 LYS CE C 42.45 0.01 1 167 . 23 LYS N N 118.56 0.01 1 168 . 24 GLU H H 8.42 0.01 1 169 . 24 GLU HA H 3.85 0.01 1 170 . 24 GLU C C 179.76 0.01 1 171 . 24 GLU CA C 59.27 0.01 1 172 . 24 GLU CB C 29.84 0.01 1 173 . 24 GLU CG C 36.86 0.01 1 174 . 24 GLU N N 116.31 0.01 1 175 . 25 SER H H 7.81 0.01 1 176 . 25 SER HA H 4.07 0.01 1 177 . 25 SER HB2 H 3.84 0.01 2 178 . 25 SER C C 173.88 0.01 1 179 . 25 SER CA C 62.97 0.01 1 180 . 25 SER N N 117.28 0.01 1 181 . 26 ILE H H 7.85 0.01 1 182 . 26 ILE HA H 4.03 0.01 1 183 . 26 ILE C C 178.67 0.01 1 184 . 26 ILE CA C 65.11 0.01 1 185 . 26 ILE CB C 38.78 0.01 1 186 . 26 ILE CG1 C 19.32 0.01 2 187 . 26 ILE N N 119.32 0.01 1 188 . 27 ASP H H 8.21 0.01 1 189 . 27 ASP HA H 4.05 0.01 1 190 . 27 ASP HB2 H 2.49 0.01 2 191 . 27 ASP HB3 H 2.71 0.01 2 192 . 27 ASP C C 178.26 0.01 1 193 . 27 ASP CA C 57.65 0.01 1 194 . 27 ASP CB C 41.12 0.01 1 195 . 27 ASP N N 119.38 0.01 1 196 . 28 ALA H H 7.46 0.01 1 197 . 28 ALA HA H 3.95 0.01 1 198 . 28 ALA HB H 1.16 0.01 1 199 . 28 ALA C C 178.46 0.01 1 200 . 28 ALA CA C 54.35 0.01 1 201 . 28 ALA CB C 17.88 0.01 1 202 . 28 ALA N N 117.25 0.01 1 203 . 29 VAL H H 6.98 0.01 1 204 . 29 VAL HA H 3.75 0.01 1 205 . 29 VAL HB H 1.63 0.01 1 206 . 29 VAL HG1 H 0.80 0.01 2 207 . 29 VAL HG2 H 1.15 0.01 2 208 . 29 VAL C C 176.55 0.01 1 209 . 29 VAL CA C 63.79 0.01 1 210 . 29 VAL CB C 33.90 0.01 1 211 . 29 VAL CG1 C 21.66 0.01 2 212 . 29 VAL N N 115.16 0.01 1 213 . 30 LEU H H 8.03 0.01 1 214 . 30 LEU HA H 3.28 0.01 1 215 . 30 LEU C C 177.37 0.01 1 216 . 30 LEU CA C 55.17 0.01 1 217 . 30 LEU CB C 42.75 0.01 1 218 . 30 LEU CG C 25.49 0.01 1 219 . 30 LEU CD1 C 21.92 0.01 2 220 . 30 LEU N N 115.17 0.01 1 221 . 31 GLN H H 7.56 0.01 1 222 . 31 GLN HA H 4.13 0.01 1 223 . 31 GLN C C 177.10 0.01 1 224 . 31 GLN CA C 58.60 0.01 1 225 . 31 GLN CB C 28.55 0.01 1 226 . 31 GLN CG C 33.80 0.01 1 227 . 31 GLN N N 117.22 0.01 1 228 . 32 ASN H H 9.20 0.01 1 229 . 32 ASN HA H 4.51 0.01 1 230 . 32 ASN HB2 H 2.96 0.01 2 231 . 32 ASN C C 174.70 0.01 1 232 . 32 ASN CA C 54.49 0.01 1 233 . 32 ASN CB C 38.20 0.01 1 234 . 32 ASN N N 117.62 0.01 1 235 . 33 GLN H H 7.88 0.01 1 236 . 33 GLN HA H 4.40 0.01 1 237 . 33 GLN HB2 H 1.86 0.01 2 238 . 33 GLN HG2 H 2.33 0.01 2 239 . 33 GLN C C 175.55 0.01 1 240 . 33 GLN CA C 54.95 0.01 1 241 . 33 GLN CB C 29.08 0.01 1 242 . 33 GLN CG C 32.81 0.01 1 243 . 33 GLN N N 116.99 0.01 1 244 . 34 GLN H H 8.40 0.01 1 245 . 34 GLN HA H 4.52 0.01 1 246 . 34 GLN HG2 H 2.46 0.01 2 247 . 34 GLN C C 175.59 0.01 1 248 . 34 GLN CA C 53.71 0.01 1 249 . 34 GLN CB C 30.32 0.01 1 250 . 34 GLN CG C 33.70 0.01 1 251 . 34 GLN N N 120.17 0.01 1 252 . 35 TYR H H 8.79 0.01 1 253 . 35 TYR HA H 4.05 0.01 1 254 . 35 TYR HB2 H 2.90 0.01 2 255 . 35 TYR C C 174.83 0.01 1 256 . 35 TYR CA C 62.56 0.01 1 257 . 35 TYR CB C 38.72 0.01 1 258 . 35 TYR N N 123.75 0.01 1 259 . 36 SER H H 5.57 0.01 1 260 . 36 SER HA H 4.04 0.01 1 261 . 36 SER C C 174.49 0.01 1 262 . 36 SER CA C 56.05 0.01 1 263 . 36 SER CB C 64.50 0.01 1 264 . 36 SER N N 120.06 0.01 1 265 . 37 GLU H H 9.29 0.01 1 266 . 37 GLU HA H 3.90 0.01 1 267 . 37 GLU HB2 H 2.23 0.01 2 268 . 37 GLU HG2 H 2.57 0.01 2 269 . 37 GLU C C 177.03 0.01 1 270 . 37 GLU CA C 58.88 0.01 1 271 . 37 GLU CB C 29.41 0.01 1 272 . 37 GLU CG C 35.69 0.01 1 273 . 37 GLU N N 130.69 0.01 1 274 . 38 ALA H H 7.85 0.01 1 275 . 38 ALA HA H 4.01 0.01 1 276 . 38 ALA HB H 1.25 0.01 1 277 . 38 ALA C C 178.65 0.01 1 278 . 38 ALA CA C 53.66 0.01 1 279 . 38 ALA CB C 18.86 0.01 1 280 . 38 ALA N N 118.06 0.01 1 281 . 39 LYS H H 6.68 0.01 1 282 . 39 LYS HA H 3.90 0.01 1 283 . 39 LYS C C 176.47 0.01 1 284 . 39 LYS CA C 55.45 0.01 1 285 . 39 LYS CB C 33.05 0.01 1 286 . 39 LYS CG C 24.81 0.01 1 287 . 39 LYS CD C 28.91 0.01 1 288 . 39 LYS CE C 42.29 0.01 1 289 . 39 LYS N N 113.81 0.01 1 290 . 40 VAL H H 6.54 0.01 1 291 . 40 VAL HA H 3.47 0.01 1 292 . 40 VAL HB H 1.59 0.01 1 293 . 40 VAL HG1 H 0.63 0.01 2 294 . 40 VAL HG2 H 0.91 0.01 2 295 . 40 VAL C C 176.53 0.01 1 296 . 40 VAL CA C 65.98 0.01 1 297 . 40 VAL CB C 31.05 0.01 1 298 . 40 VAL CG1 C 22.66 0.01 2 299 . 40 VAL N N 117.07 0.01 1 300 . 41 SER H H 8.35 0.01 1 301 . 41 SER HA H 4.00 0.01 1 302 . 41 SER HB2 H 3.69 0.01 2 303 . 41 SER HB3 H 3.77 0.01 2 304 . 41 SER C C 176.89 0.01 1 305 . 41 SER CA C 61.60 0.01 1 306 . 41 SER CB C 61.97 0.01 1 307 . 41 SER N N 117.66 0.01 1 308 . 42 GLN H H 7.67 0.01 1 309 . 42 GLN HA H 4.12 0.01 1 310 . 42 GLN HB2 H 2.04 0.01 2 311 . 42 GLN HG2 H 2.38 0.01 2 312 . 42 GLN C C 179.01 0.01 1 313 . 42 GLN CA C 58.51 0.01 1 314 . 42 GLN CB C 27.96 0.01 1 315 . 42 GLN CG C 33.99 0.01 1 316 . 42 GLN N N 122.81 0.01 1 317 . 43 TRP H H 8.12 0.01 1 318 . 43 TRP HA H 4.45 0.01 1 319 . 43 TRP C C 179.12 0.01 1 320 . 43 TRP CA C 57.92 0.01 1 321 . 43 TRP CB C 29.38 0.01 1 322 . 43 TRP N N 120.92 0.01 1 323 . 44 THR H H 8.68 0.01 1 324 . 44 THR HA H 3.85 0.01 1 325 . 44 THR HB H 4.21 0.01 1 326 . 44 THR HG2 H 1.27 0.01 1 327 . 44 THR C C 176.58 0.01 1 328 . 44 THR CA C 66.93 0.01 1 329 . 44 THR CB C 68.00 0.01 1 330 . 44 THR CG2 C 22.63 0.01 1 331 . 44 THR N N 113.48 0.01 1 332 . 45 SER H H 7.72 0.01 1 333 . 45 SER HA H 4.13 0.01 1 334 . 45 SER HB2 H 4.04 0.01 2 335 . 45 SER C C 177.20 0.01 1 336 . 45 SER CA C 62.62 0.01 1 337 . 45 SER N N 115.86 0.01 1 338 . 46 SER H H 8.58 0.01 1 339 . 46 SER HA H 4.33 0.01 1 340 . 46 SER HB2 H 4.27 0.01 2 341 . 46 SER C C 176.74 0.01 1 342 . 46 SER CA C 62.20 0.01 1 343 . 46 SER CB C 63.41 0.01 1 344 . 46 SER N N 117.85 0.01 1 345 . 47 CYS H H 8.75 0.01 1 346 . 47 CYS HA H 3.91 0.01 1 347 . 47 CYS HB2 H 2.52 0.01 2 348 . 47 CYS C C 176.66 0.01 1 349 . 47 CYS CA C 64.22 0.01 1 350 . 47 CYS CB C 26.96 0.01 1 351 . 47 CYS N N 122.32 0.01 1 352 . 48 LEU H H 7.84 0.01 1 353 . 48 LEU HA H 4.03 0.01 1 354 . 48 LEU HB2 H 1.35 0.01 2 355 . 48 LEU HD1 H 0.65 0.01 2 356 . 48 LEU C C 177.95 0.01 1 357 . 48 LEU CA C 58.32 0.01 1 358 . 48 LEU CB C 41.71 0.01 1 359 . 48 LEU CG C 19.32 0.01 1 360 . 48 LEU CD1 C 17.14 0.01 2 361 . 48 LEU N N 118.06 0.01 1 362 . 49 GLU H H 8.21 0.01 1 363 . 49 GLU HA H 4.08 0.01 1 364 . 49 GLU HB2 H 2.33 0.01 2 365 . 49 GLU C C 179.29 0.01 1 366 . 49 GLU CA C 59.55 0.01 1 367 . 49 GLU CB C 29.79 0.01 1 368 . 49 GLU CG C 36.21 0.01 1 369 . 49 GLU N N 119.25 0.01 1 370 . 50 HIS H H 8.17 0.01 1 371 . 50 HIS HA H 4.49 0.01 1 372 . 50 HIS HB2 H 3.18 0.01 2 373 . 50 HIS C C 177.71 0.01 1 374 . 50 HIS CA C 60.10 0.01 1 375 . 50 HIS CB C 31.22 0.01 1 376 . 50 HIS N N 117.92 0.01 1 377 . 51 CYS H H 7.90 0.01 1 378 . 51 CYS HA H 3.83 0.01 1 379 . 51 CYS HB2 H 3.13 0.01 2 380 . 51 CYS HB3 H 2.46 0.01 2 381 . 51 CYS C C 176.67 0.01 1 382 . 51 CYS CA C 63.79 0.01 1 383 . 51 CYS CB C 27.04 0.01 1 384 . 51 CYS N N 116.64 0.01 1 385 . 52 ILE H H 8.52 0.01 1 386 . 52 ILE HA H 4.23 0.01 1 387 . 52 ILE C C 178.40 0.01 1 388 . 52 ILE CA C 63.44 0.01 1 389 . 52 ILE CB C 36.41 0.01 1 390 . 52 ILE CD1 C 17.34 0.01 1 391 . 52 ILE N N 118.85 0.01 1 392 . 53 LYS H H 8.18 0.01 1 393 . 53 LYS HA H 3.74 0.01 1 394 . 53 LYS HB2 H 1.57 0.01 2 395 . 53 LYS HE2 H 2.88 0.01 2 396 . 53 LYS C C 179.27 0.01 1 397 . 53 LYS CA C 59.83 0.01 1 398 . 53 LYS CB C 32.06 0.01 1 399 . 53 LYS CG C 25.13 0.01 1 400 . 53 LYS CD C 29.21 0.01 1 401 . 53 LYS CE C 42.05 0.01 1 402 . 53 LYS N N 120.72 0.01 1 403 . 54 ARG H H 7.38 0.01 1 404 . 54 ARG HA H 3.92 0.01 1 405 . 54 ARG C C 179.22 0.01 1 406 . 54 ARG CA C 58.05 0.01 1 407 . 54 ARG CB C 31.30 0.01 1 408 . 54 ARG CG C 27.50 0.01 1 409 . 54 ARG N N 117.09 0.01 1 410 . 55 LEU H H 8.47 0.01 1 411 . 55 LEU HA H 4.75 0.01 1 412 . 55 LEU C C 181.06 0.01 1 413 . 55 LEU CA C 57.49 0.01 1 414 . 55 LEU CB C 41.51 0.01 1 415 . 55 LEU CD1 C 26.39 0.01 2 416 . 55 LEU N N 119.81 0.01 1 417 . 56 THR H H 8.33 0.01 1 418 . 56 THR HA H 3.75 0.01 1 419 . 56 THR HB H 3.67 0.01 1 420 . 56 THR HG2 H 0.03 0.01 1 421 . 56 THR C C 177.69 0.01 1 422 . 56 THR CA C 65.30 0.01 1 423 . 56 THR CB C 68.62 0.01 1 424 . 56 THR CG2 C 19.88 0.01 1 425 . 56 THR N N 111.94 0.01 1 426 . 57 ALA H H 7.02 0.01 1 427 . 57 ALA HA H 4.14 0.01 1 428 . 57 ALA HB H 1.45 0.01 1 429 . 57 ALA C C 178.21 0.01 1 430 . 57 ALA CA C 53.67 0.01 1 431 . 57 ALA CB C 18.23 0.01 1 432 . 57 ALA N N 123.55 0.01 1 433 . 58 LEU H H 7.23 0.01 1 434 . 58 LEU HA H 4.11 0.01 1 435 . 58 LEU HB2 H 2.00 0.01 2 436 . 58 LEU HD1 H 0.78 0.01 2 437 . 58 LEU C C 177.92 0.01 1 438 . 58 LEU CA C 56.14 0.01 1 439 . 58 LEU CB C 41.72 0.01 1 440 . 58 LEU CG C 25.40 0.01 1 441 . 58 LEU CD1 C 21.70 0.01 2 442 . 58 LEU N N 115.24 0.01 1 443 . 59 ASN H H 7.88 0.01 1 444 . 59 ASN HA H 4.50 0.01 1 445 . 59 ASN HB2 H 2.66 0.01 2 446 . 59 ASN HB3 H 3.15 0.01 2 447 . 59 ASN C C 174.32 0.01 1 448 . 59 ASN CA C 54.22 0.01 1 449 . 59 ASN CB C 37.29 0.01 1 450 . 59 ASN N N 112.44 0.01 1 451 . 60 LYS H H 8.49 0.01 1 452 . 60 LYS HA H 4.83 0.01 1 453 . 60 LYS C C 176.75 0.01 1 454 . 60 LYS CA C 53.39 0.01 1 455 . 60 LYS CB C 33.83 0.01 1 456 . 60 LYS N N 117.99 0.01 1 457 . 61 PRO C C 173.53 0.01 1 458 . 61 PRO CA C 62.62 0.01 1 459 . 61 PRO CB C 27.70 0.01 1 460 . 61 PRO CG C 24.96 0.01 1 461 . 61 PRO CD C 50.21 0.01 1 462 . 62 PHE H H 8.41 0.01 1 463 . 62 PHE HA H 4.37 0.01 1 464 . 62 PHE HB2 H 2.20 0.01 2 465 . 62 PHE C C 175.72 0.01 1 466 . 62 PHE CA C 57.39 0.01 1 467 . 62 PHE CB C 43.28 0.01 1 468 . 62 PHE N N 124.04 0.01 1 469 . 63 LYS H H 9.08 0.01 1 470 . 63 LYS HA H 4.97 0.01 1 471 . 63 LYS C C 175.78 0.01 1 472 . 63 LYS CA C 55.91 0.01 1 473 . 63 LYS CB C 36.09 0.01 1 474 . 63 LYS N N 118.82 0.01 1 475 . 64 TYR H H 9.35 0.01 1 476 . 64 TYR HA H 3.48 0.01 1 477 . 64 TYR C C 175.59 0.01 1 478 . 64 TYR CA C 56.54 0.01 1 479 . 64 TYR CB C 43.10 0.01 1 480 . 64 TYR N N 115.44 0.01 1 481 . 65 VAL H H 9.04 0.01 1 482 . 65 VAL HA H 4.18 0.01 1 483 . 65 VAL C C 174.18 0.01 1 484 . 65 VAL CA C 61.88 0.01 1 485 . 65 VAL CB C 34.88 0.01 1 486 . 65 VAL CG1 C 22.48 0.01 2 487 . 65 VAL N N 122.62 0.01 1 488 . 66 VAL H H 8.73 0.01 1 489 . 66 VAL HA H 5.40 0.01 1 490 . 66 VAL HB H 1.70 0.01 1 491 . 66 VAL HG1 H 0.80 0.01 2 492 . 66 VAL C C 174.96 0.01 1 493 . 66 VAL CA C 59.96 0.01 1 494 . 66 VAL CB C 33.33 0.01 1 495 . 66 VAL CG1 C 22.14 0.01 2 496 . 66 VAL N N 127.54 0.01 1 497 . 67 THR H H 9.25 0.01 1 498 . 67 THR HA H 5.21 0.01 1 499 . 67 THR HG2 H 1.23 0.01 1 500 . 67 THR C C 173.57 0.01 1 501 . 67 THR CA C 59.28 0.01 1 502 . 67 THR CB C 71.17 0.01 1 503 . 67 THR CG2 C 21.48 0.01 1 504 . 67 THR N N 115.88 0.01 1 505 . 68 CYS H H 8.83 0.01 1 506 . 68 CYS HA H 5.33 0.01 1 507 . 68 CYS C C 172.44 0.01 1 508 . 68 CYS CA C 58.32 0.01 1 509 . 68 CYS CB C 30.40 0.01 1 510 . 68 CYS N N 121.72 0.01 1 511 . 69 ILE H H 8.84 0.01 1 512 . 69 ILE HA H 5.14 0.01 1 513 . 69 ILE HB H 1.81 0.01 1 514 . 69 ILE HD1 H 0.97 0.01 1 515 . 69 ILE C C 175.10 0.01 1 516 . 69 ILE CA C 60.47 0.01 1 517 . 69 ILE CB C 42.92 0.01 1 518 . 69 ILE N N 129.78 0.01 1 519 . 70 ILE H H 8.77 0.01 1 520 . 70 ILE HA H 4.09 0.01 1 521 . 70 ILE HB H 2.18 0.01 1 522 . 70 ILE HD1 H 0.92 0.01 1 523 . 70 ILE C C 176.04 0.01 1 524 . 70 ILE CA C 61.48 0.01 1 525 . 70 ILE CB C 40.71 0.01 1 526 . 70 ILE CG1 C 24.05 0.01 2 527 . 70 ILE CD1 C 17.47 0.01 1 528 . 70 ILE N N 125.62 0.01 1 529 . 71 MET H H 8.29 0.01 1 530 . 71 MET HA H 4.57 0.01 1 531 . 71 MET HB2 H 2.33 0.01 2 532 . 71 MET HG2 H 2.50 0.01 2 533 . 71 MET C C 175.52 0.01 1 534 . 71 MET CA C 54.66 0.01 1 535 . 71 MET CB C 34.354 0.01 1 536 . 71 MET CG C 32.06 0.01 1 537 . 71 MET N N 123.75 0.01 1 538 . 72 GLN H H 8.79 0.01 1 539 . 72 GLN HA H 4.37 0.01 1 540 . 72 GLN C C 175.42 0.01 1 541 . 72 GLN CA C 56.27 0.01 1 542 . 72 GLN CB C 31.57 0.01 1 543 . 72 GLN CG C 33.26 0.01 1 544 . 72 GLN N N 122.45 0.01 1 545 . 73 LYS H H 7.87 0.01 1 546 . 73 LYS HA H 4.23 0.01 1 547 . 73 LYS C C 175.84 0.01 1 548 . 73 LYS CA C 57.50 0.01 1 549 . 73 LYS CB C 33.82 0.01 1 550 . 73 LYS CG C 26.97 0.01 1 551 . 73 LYS CD C 29.80 0.01 1 552 . 73 LYS CE C 42.01 0.01 1 553 . 73 LYS N N 125.50 0.01 1 554 . 74 ASN H H 8.13 0.01 1 555 . 74 ASN HA H 4.47 0.01 1 556 . 74 ASN HB2 H 2.80 0.01 2 557 . 74 ASN C C 175.78 0.01 1 558 . 74 ASN CA C 54.63 0.01 1 559 . 74 ASN CB C 40.27 0.01 1 560 . 74 ASN N N 125.74 0.01 1 561 . 75 GLY H H 8.15 0.01 1 562 . 75 GLY HA2 H 3.92 0.01 2 563 . 75 GLY HA3 H 4.10 0.01 2 564 . 75 GLY C C 173.74 0.01 1 565 . 75 GLY CA C 45.33 0.01 1 566 . 75 GLY N N 113.89 0.01 1 567 . 76 ALA H H 8.05 0.01 1 568 . 76 ALA HA H 4.46 0.01 1 569 . 76 ALA HB H 1.42 0.01 1 570 . 76 ALA C C 177.45 0.01 1 571 . 76 ALA CA C 51.99 0.01 1 572 . 76 ALA CB C 20.22 0.01 1 573 . 76 ALA N N 124.04 0.01 1 574 . 77 GLY H H 8.44 0.01 1 575 . 77 GLY HA2 H 3.67 0.01 2 576 . 77 GLY HA3 H 4.03 0.01 2 577 . 77 GLY C C 172.17 0.01 1 578 . 77 GLY CA C 45.73 0.01 1 579 . 77 GLY N N 108.34 0.01 1 580 . 78 LEU H H 7.86 0.01 1 581 . 78 LEU HA H 4.95 0.01 1 582 . 78 LEU C C 175.65 0.01 1 583 . 78 LEU CA C 54.78 0.01 1 584 . 78 LEU CB C 44.00 0.01 1 585 . 78 LEU CD1 C 26.04 0.01 2 586 . 78 LEU N N 122.87 0.01 1 587 . 79 HIS H H 8.99 0.01 1 588 . 79 HIS HA H 5.00 0.01 1 589 . 79 HIS HB2 H 3.08 0.01 2 590 . 79 HIS C C 172.97 0.01 1 591 . 79 HIS CA C 55.63 0.01 1 592 . 79 HIS CB C 32.84 0.01 1 593 . 79 HIS N N 125.50 0.01 1 594 . 80 THR H H 8.11 0.01 1 595 . 80 THR HA H 4.32 0.01 1 596 . 80 THR HB H 3.99 0.01 1 597 . 80 THR HG2 H 0.90 0.01 1 598 . 80 THR C C 171.58 0.01 1 599 . 80 THR CA C 58.59 0.01 1 600 . 80 THR CB C 70.87 0.01 1 601 . 80 THR CG2 C 20.79 0.01 1 602 . 80 THR N N 116.82 0.01 1 603 . 81 ALA H H 8.51 0.01 1 604 . 81 ALA HA H 4.13 0.01 1 605 . 81 ALA HB H 1.45 0.01 1 606 . 81 ALA C C 174.34 0.01 1 607 . 81 ALA CA C 51.56 0.01 1 608 . 81 ALA CB C 23.55 0.01 1 609 . 81 ALA N N 125.50 0.01 1 610 . 82 ALA H H 8.64 0.01 1 611 . 82 ALA HA H 4.40 0.01 1 612 . 82 ALA HB H 1.45 0.01 1 613 . 82 ALA C C 176.34 0.01 1 614 . 82 ALA CA C 51.00 0.01 1 615 . 82 ALA CB C 23.65 0.01 1 616 . 82 ALA N N 121.39 0.01 1 617 . 83 SER H H 9.14 0.01 1 618 . 83 SER HA H 5.69 0.01 1 619 . 83 SER C C 172.82 0.01 1 620 . 83 SER CA C 58.18 0.01 1 621 . 83 SER CB C 66.67 0.01 1 622 . 83 SER N N 115.08 0.01 1 623 . 84 CYS H H 8.39 0.01 1 624 . 84 CYS HA H 4.58 0.01 1 625 . 84 CYS C C 173.30 0.01 1 626 . 84 CYS CA C 55.21 0.01 1 627 . 84 CYS CB C 31.05 0.01 1 628 . 84 CYS N N 120.25 0.01 1 629 . 85 TRP H H 9.52 0.01 1 630 . 85 TRP HA H 5.19 0.01 1 631 . 85 TRP C C 173.55 0.01 1 632 . 85 TRP CA C 55.86 0.01 1 633 . 85 TRP CB C 31.23 0.01 1 634 . 85 TRP N N 126.66 0.01 1 635 . 86 TRP H H 8.52 0.01 1 636 . 86 TRP HA H 4.60 0.01 1 637 . 86 TRP C C 173.76 0.01 1 638 . 86 TRP CA C 54.34 0.01 1 639 . 86 TRP CB C 28.00 0.01 1 640 . 86 TRP N N 122.87 0.01 1 641 . 87 ASP H H 8.65 0.01 1 642 . 87 ASP HA H 5.10 0.01 1 643 . 87 ASP C C 175.93 0.01 1 644 . 87 ASP CA C 52.44 0.01 1 645 . 87 ASP CB C 41.34 0.01 1 646 . 87 ASP N N 119.17 0.01 1 647 . 88 SER H H 8.72 0.01 1 648 . 88 SER HA H 4.06 0.01 1 649 . 88 SER HB2 H 3.97 0.01 2 650 . 88 SER C C 175.46 0.01 1 651 . 88 SER CA C 60.36 0.01 1 652 . 88 SER CB C 63.42 0.01 1 653 . 88 SER N N 120.53 0.01 1 654 . 89 THR H H 8.70 0.01 1 655 . 89 THR HA H 4.31 0.01 1 656 . 89 THR HB H 4.23 0.01 1 657 . 89 THR HG2 H 1.22 0.01 1 658 . 89 THR C C 175.87 0.01 1 659 . 89 THR CA C 64.74 0.01 1 660 . 89 THR CB C 69.11 0.01 1 661 . 89 THR CG2 C 22.11 0.01 1 662 . 89 THR N N 115.02 0.01 1 663 . 90 THR H H 7.10 0.01 1 664 . 90 THR HA H 4.47 0.01 1 665 . 90 THR HG2 H 0.93 0.01 1 666 . 90 THR C C 173.81 0.01 1 667 . 90 THR CA C 62.28 0.01 1 668 . 90 THR CB C 70.90 0.01 1 669 . 90 THR CG2 C 20.36 0.01 1 670 . 90 THR N N 109.33 0.01 1 671 . 91 ASP H H 8.10 0.01 1 672 . 91 ASP HA H 4.03 0.01 1 673 . 91 ASP C C 175.28 0.01 1 674 . 91 ASP CA C 53.92 0.01 1 675 . 91 ASP CB C 40.57 0.01 1 676 . 91 ASP N N 125.44 0.01 1 677 . 92 GLY H H 7.97 0.01 1 678 . 92 GLY HA2 H 4.08 0.01 2 679 . 92 GLY C C 171.00 0.01 1 680 . 92 GLY CA C 46.42 0.01 1 681 . 92 GLY N N 106.32 0.01 1 682 . 93 SER H H 8.55 0.01 1 683 . 93 SER C C 174.15 0.01 1 684 . 93 SER CA C 56.45 0.01 1 685 . 93 SER CB C 68.44 0.01 1 686 . 93 SER N N 112.21 0.01 1 687 . 94 ARG H H 8.47 0.01 1 688 . 94 ARG HA H 4.75 0.01 1 689 . 94 ARG C C 173.83 0.01 1 690 . 94 ARG CA C 54.01 0.01 1 691 . 94 ARG CB C 34.68 0.01 1 692 . 94 ARG CD C 42.56 0.01 1 693 . 94 ARG N N 119.38 0.01 1 694 . 95 THR H H 8.66 0.01 1 695 . 95 THR HA H 3.72 0.01 1 696 . 95 THR HG2 H 1.05 0.01 1 697 . 95 THR C C 173.94 0.01 1 698 . 95 THR CA C 62.01 0.01 1 699 . 95 THR CB C 71.93 0.01 1 700 . 95 THR N N 119.71 0.01 1 701 . 96 VAL H H 9.03 0.01 1 702 . 96 VAL HA H 4.27 0.01 1 703 . 96 VAL HG1 H 0.96 0.01 2 704 . 96 VAL C C 172.99 0.01 1 705 . 96 VAL CA C 61.86 0.01 1 706 . 96 VAL CB C 35.74 0.01 1 707 . 96 VAL CG1 C 21.20 0.01 2 708 . 96 VAL N N 127.99 0.01 1 709 . 97 ARG H H 8.55 0.01 1 710 . 97 ARG HA H 5.18 0.01 1 711 . 97 ARG C C 174.35 0.01 1 712 . 97 ARG CA C 54.76 0.01 1 713 . 97 ARG CB C 31.41 0.01 1 714 . 97 ARG N N 126.40 0.01 1 715 . 98 TRP H H 9.52 0.01 1 716 . 98 TRP HA H 4.72 0.01 1 717 . 98 TRP HB2 H 2.87 0.01 2 718 . 98 TRP HB3 H 3.20 0.01 2 719 . 98 TRP C C 174.35 0.01 1 720 . 98 TRP CA C 56.67 0.01 1 721 . 98 TRP CB C 35.75 0.01 1 722 . 98 TRP N N 130.27 0.01 1 723 . 99 GLU H H 7.88 0.01 1 724 . 99 GLU HA H 5.09 0.01 1 725 . 99 GLU HB2 H 1.98 0.01 2 726 . 99 GLU C C 173.59 0.01 1 727 . 99 GLU CA C 55.58 0.01 1 728 . 99 GLU CB C 34.27 0.01 1 729 . 99 GLU CG C 35.27 0.01 1 730 . 99 GLU N N 124.10 0.01 1 731 . 100 ASN H H 8.44 0.01 1 732 . 100 ASN HA H 4.40 0.01 1 733 . 100 ASN C C 176.04 0.01 1 734 . 100 ASN CA C 50.93 0.01 1 735 . 100 ASN CB C 39.09 0.01 1 736 . 100 ASN N N 121.07 0.01 1 737 . 101 LYS H H 8.14 0.01 1 738 . 101 LYS HA H 4.01 0.01 1 739 . 101 LYS HB2 H 1.83 0.01 2 740 . 101 LYS HG2 H 1.51 0.01 2 741 . 101 LYS HD2 H 1.72 0.01 2 742 . 101 LYS HE2 H 2.99 0.01 2 743 . 101 LYS C C 176.84 0.01 1 744 . 101 LYS CA C 59.72 0.01 1 745 . 101 LYS CB C 32.53 0.01 1 746 . 101 LYS CG C 24.88 0.01 1 747 . 101 LYS CD C 29.13 0.01 1 748 . 101 LYS CE C 42.10 0.01 1 749 . 101 LYS N N 115.88 0.01 1 750 . 102 SER H H 8.11 0.01 1 751 . 102 SER HA H 4.87 0.01 1 752 . 102 SER HB2 H 4.05 0.01 2 753 . 102 SER HB3 H 4.32 0.01 2 754 . 102 SER C C 175.32 0.01 1 755 . 102 SER CA C 58.59 0.01 1 756 . 102 SER CB C 66.57 0.01 1 757 . 102 SER N N 108.85 0.01 1 758 . 103 MET H H 8.32 0.01 1 759 . 103 MET HA H 4.24 0.01 1 760 . 103 MET C C 172.24 0.01 1 761 . 103 MET CA C 55.99 0.01 1 762 . 103 MET CB C 37.76 0.01 1 763 . 103 MET CG C 37.57 0.01 1 764 . 103 MET N N 120.25 0.01 1 765 . 104 TYR H H 9.06 0.01 1 766 . 104 TYR HA H 5.51 0.01 1 767 . 104 TYR C C 176.21 0.01 1 768 . 104 TYR CA C 56.13 0.01 1 769 . 104 TYR CB C 37.06 0.01 1 770 . 104 TYR N N 116.25 0.01 1 771 . 105 CYS H H 8.37 0.01 1 772 . 105 CYS HA H 4.26 0.01 1 773 . 105 CYS C C 173.28 0.01 1 774 . 105 CYS CA C 56.28 0.01 1 775 . 105 CYS CB C 30.73 0.01 1 776 . 105 CYS N N 122.88 0.01 1 777 . 106 ILE H H 9.03 0.01 1 778 . 106 ILE HA H 4.29 0.01 1 779 . 106 ILE HD1 H 0.84 0.01 1 780 . 106 ILE C C 175.79 0.01 1 781 . 106 ILE CA C 60.37 0.01 1 782 . 106 ILE CB C 41.18 0.01 1 783 . 106 ILE CG1 C 27.63 0.01 2 784 . 106 ILE CD1 C 18.04 0.01 1 785 . 106 ILE N N 127.50 0.01 1 786 . 107 CYS H H 8.89 0.01 1 787 . 107 CYS HA H 5.64 0.01 1 788 . 107 CYS C C 172.58 0.01 1 789 . 107 CYS CA C 56.68 0.01 1 790 . 107 CYS CB C 30.22 0.01 1 791 . 107 CYS N N 129.79 0.01 1 792 . 108 THR H H 8.52 0.01 1 793 . 108 THR HA H 5.29 0.01 1 794 . 108 THR C C 172.32 0.01 1 795 . 108 THR CA C 61.28 0.01 1 796 . 108 THR CB C 71.40 0.01 1 797 . 108 THR CG2 C 21.96 0.01 1 798 . 108 THR N N 124.81 0.01 1 799 . 109 VAL H H 8.49 0.01 1 800 . 109 VAL HA H 4.58 0.01 1 801 . 109 VAL HB H 1.67 0.01 1 802 . 109 VAL HG1 H 0.75 0.01 2 803 . 109 VAL C C 174.15 0.01 1 804 . 109 VAL CA C 60.85 0.01 1 805 . 109 VAL CB C 35.28 0.01 1 806 . 109 VAL CG1 C 23.57 0.01 2 807 . 109 VAL N N 122.72 0.01 1 808 . 110 PHE H H 9.80 0.01 1 809 . 110 PHE HA H 4.97 0.01 1 810 . 110 PHE C C 174.74 0.01 1 811 . 110 PHE CA C 56.67 0.01 1 812 . 110 PHE CB C 40.37 0.01 1 813 . 110 PHE N N 126.66 0.01 1 814 . 111 GLY H H 9.50 0.01 1 815 . 111 GLY HA2 H 4.11 0.01 2 816 . 111 GLY C C 171.17 0.01 1 817 . 111 GLY CA C 45.19 0.01 1 818 . 111 GLY N N 111.53 0.01 1 819 . 112 LEU H H 8.96 0.01 1 820 . 112 LEU HA H 5.17 0.01 1 821 . 112 LEU C C 174.39 0.01 1 822 . 112 LEU CA C 53.95 0.01 1 823 . 112 LEU CB C 42.99 0.01 1 824 . 112 LEU CD1 C 28.36 0.01 2 825 . 112 LEU N N 125.91 0.01 1 826 . 113 ALA H H 9.10 0.01 1 827 . 113 ALA HA H 4.35 0.01 1 828 . 113 ALA HB H 1.08 0.01 1 829 . 113 ALA C C 177.64 0.01 1 830 . 113 ALA CA C 52.99 0.01 1 831 . 113 ALA CB C 18.39 0.01 1 832 . 113 ALA N N 128.52 0.01 1 833 . 114 ILE H H 7.27 0.01 1 834 . 114 ILE HA H 3.90 0.01 1 835 . 114 ILE C C 181.19 0.01 1 836 . 114 ILE CA C 63.66 0.01 1 837 . 114 ILE CB C 39.06 0.01 1 838 . 114 ILE N N 124.34 0.01 1 stop_ save_