data_7218 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N assignment of the Master-Rep protein nuclease domain from the Faba Bean Necrotic Yellows Virus ; _BMRB_accession_number 7218 _BMRB_flat_file_name bmr7218.str _Entry_type original _Submission_date 2006-07-10 _Accession_date 2006-07-10 _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 Vega-Rocha Susana . . 2 Campos-Olivas Ramon . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 483 "13C chemical shifts" 356 "15N chemical shifts" 127 "coupling constants" 74 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-16 update BMRB 'complete entry citation' 2006-10-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C, and (15)N NMR assignment of the master Rep protein nuclease domain from the Nanovirus FBNYV' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17043745 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vega-Rocha Susana . . 2 Gronenborn A. . . 3 Gronenborn B. . . 4 Campos-Olivas Ramon . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 38 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 169 _Page_last 169 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name monomer _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label monomer $FBNYV_M-Rep_(1-117) stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FBNYV_M-Rep_(1-117) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'N-terminal DNA binding domain of M-Rep protein from the nanovirus FBNYV' _Molecular_mass 15866.0 _Mol_thiol_state 'all free' loop_ _Biological_function 'Initiation of nanovirus replication (nuclease)' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 138 _Mol_residue_sequence ; GSSHHHHHHSSGLEVLFQGP HMARQVICWCFTLNNPLSPL SLHDSMKYLVYQTEQGEAGN IHFQGYIEMKKRTSLAGMKK LIPGAHFEKRRGTQGEARAY SMKEDTRLEGPWEYGEFVPT IEDKLREVMNDMKITGKR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -20 GLY 2 -19 SER 3 -18 SER 4 -17 HIS 5 -16 HIS 6 -15 HIS 7 -14 HIS 8 -13 HIS 9 -12 HIS 10 -11 SER 11 -10 SER 12 -9 GLY 13 -8 LEU 14 -7 GLU 15 -6 VAL 16 -5 LEU 17 -4 PHE 18 -3 GLN 19 -2 GLY 20 -1 PRO 21 0 HIS 22 1 MET 23 2 ALA 24 3 ARG 25 4 GLN 26 5 VAL 27 6 ILE 28 7 CYS 29 8 TRP 30 9 CYS 31 10 PHE 32 11 THR 33 12 LEU 34 13 ASN 35 14 ASN 36 15 PRO 37 16 LEU 38 17 SER 39 18 PRO 40 19 LEU 41 20 SER 42 21 LEU 43 22 HIS 44 23 ASP 45 24 SER 46 25 MET 47 26 LYS 48 27 TYR 49 28 LEU 50 29 VAL 51 30 TYR 52 31 GLN 53 32 THR 54 33 GLU 55 34 GLN 56 35 GLY 57 36 GLU 58 37 ALA 59 38 GLY 60 39 ASN 61 40 ILE 62 41 HIS 63 42 PHE 64 43 GLN 65 44 GLY 66 45 TYR 67 46 ILE 68 47 GLU 69 48 MET 70 49 LYS 71 50 LYS 72 51 ARG 73 52 THR 74 53 SER 75 54 LEU 76 55 ALA 77 56 GLY 78 57 MET 79 58 LYS 80 59 LYS 81 60 LEU 82 61 ILE 83 62 PRO 84 63 GLY 85 64 ALA 86 65 HIS 87 66 PHE 88 67 GLU 89 68 LYS 90 69 ARG 91 70 ARG 92 71 GLY 93 72 THR 94 73 GLN 95 74 GLY 96 75 GLU 97 76 ALA 98 77 ARG 99 78 ALA 100 79 TYR 101 80 SER 102 81 MET 103 82 LYS 104 83 GLU 105 84 ASP 106 85 THR 107 86 ARG 108 87 LEU 109 88 GLU 110 89 GLY 111 90 PRO 112 91 TRP 113 92 GLU 114 93 TYR 115 94 GLY 116 95 GLU 117 96 PHE 118 97 VAL 119 98 PRO 120 99 THR 121 100 ILE 122 101 GLU 123 102 ASP 124 103 LYS 125 104 LEU 126 105 ARG 127 106 GLU 128 107 VAL 129 108 MET 130 109 ASN 131 110 ASP 132 111 MET 133 112 LYS 134 113 ILE 135 114 THR 136 115 GLY 137 116 LYS 138 117 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 7112 FBNYV_M-Rep_(2-95) 68.12 94 100.00 100.00 1.42e-63 PDB 2HWT "Nmr Solution Structure Of The Master-Rep Protein Nuclease Domain (2-95) From The Faba Bean Necrotic Yellows Virus" 68.12 94 100.00 100.00 1.42e-63 EMBL CAA72209 "putative replicase-associated protein [Faba bean necrotic yellows virus]" 84.78 286 100.00 100.00 3.68e-80 EMBL CAB44020 "Rep protein [Faba bean necrotic yellows virus]" 84.78 286 98.29 98.29 4.81e-78 GB ACX50503 "M-Rep protein [Faba bean necrotic yellows virus]" 84.78 286 98.29 100.00 2.00e-79 REF NP_619567 "Rep protein [Faba bean necrotic yellows virus]" 84.78 286 98.29 98.29 4.81e-78 SP O39828 "RecName: Full=Master replication protein; Short=M-Rep; AltName: Full=ATP-dependent helicase C2; AltName: Full=Replication-assoc" 84.78 286 100.00 100.00 3.68e-80 SP Q9WIJ5 "RecName: Full=Master replication protein; Short=M-Rep; AltName: Full=ATP-dependent helicase C2; AltName: Full=Replication-assoc" 84.78 286 98.29 98.29 4.81e-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 $FBNYV_M-Rep_(1-117) 'Faba Bean Necrotic Yellows Virus' 59817 Viruses Viridiplantae Nanovirus 'Faba Bean Necrotic Yellows Virus' 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 $FBNYV_M-Rep_(1-117) 'recombinant technology' . . . 'BL21 Rosetta (DE3) plysS' pET pET28a 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 $FBNYV_M-Rep_(1-117) 0.4 mM '[U-10% 13C; U-15N]' 'Sodium phosphate' 20 mM . NaCl 600 mM . DTT 1 mM . D2O 8 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FBNYV_M-Rep_(1-117) 0.4 mM '[U-13C; U-15N]' 'Sodium phosphate' 20 mM . NaCl 600 mM . DTT 1 mM . D2O 8 % . stop_ save_ ############################ # Computer software used # ############################ save_software_2 _Saveframe_category software _Name NMRPipe _Version 97.027.12.56 _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.20 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_700MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H15N_HSQC' _Sample_label . save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CBCA_(CO)_NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA (CO) NH' _Sample_label . save_ save_3D_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label . save_ save_3D_15N_edited_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N edited NOESY' _Sample_label . save_ save_3D_CC_(CO)_NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC (CO) NH' _Sample_label . save_ save_3D_15N_edited_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N edited TOCSY' _Sample_label . save_ save_2D_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_CBCA_(CO)_NH _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA (CO) NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_HNHA _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N_edited_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N edited NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_CC_(CO)_NH _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC (CO) NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N_edited_TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N edited TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details '20 mM sodium phosphate, 0.6 M NaCl, 1 mM DTT.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 1.264 0.05 M pH 6.6 0.1 pH temperature 293 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS P 31 'methyl protons' ppm 0.0 . indirect . . . 0.404808636 $entry_citation $entry_citation 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H15N_HSQC' '3D HNCO' '3D HNCACB' '3D CBCA (CO) NH' '3D HNHA' '3D 15N edited NOESY' '3D CC (CO) NH' '3D 15N edited TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name monomer _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 -12 9 HIS C C 174.695 0.1 . 2 -11 10 SER H H 8.441 0.05 . 3 -11 10 SER C C 174.636 0.1 . 4 -11 10 SER CA C 58.382 0.1 . 5 -11 10 SER CB C 64.051 0.1 . 6 -11 10 SER N N 117.864 0.05 . 7 -10 11 SER H H 8.577 0.05 . 8 -10 11 SER C C 175.077 0.1 . 9 -10 11 SER CA C 58.862 0.1 . 10 -10 11 SER CB C 64.129 0.1 . 11 -10 11 SER N N 118.413 0.05 . 12 -9 12 GLY H H 8.498 0.05 . 13 -9 12 GLY HA2 H 4.003 0.000 . 14 -9 12 GLY C C 174.213 0.1 . 15 -9 12 GLY CA C 45.486 0.1 . 16 -9 12 GLY N N 110.979 0.05 . 17 -8 13 LEU H H 8.086 0.05 . 18 -8 13 LEU C C 177.537 0.1 . 19 -8 13 LEU CA C 55.383 0.1 . 20 -8 13 LEU CB C 42.364 0.1 . 21 -8 13 LEU N N 121.419 0.05 . 22 -7 14 GLU H H 8.504 0.05 . 23 -7 14 GLU HA H 4.225 0.05 . 24 -7 14 GLU CA C 57.093 0.1 . 25 -7 14 GLU CB C 29.962 0.1 . 26 -7 14 GLU N N 121.703 0.05 . 27 -6 15 VAL C C 175.962 0.1 . 28 -6 15 VAL CA C 62.583 0.1 . 29 -6 15 VAL CB C 32.457 0.1 . 30 -5 16 LEU H H 8.183 0.05 . 31 -5 16 LEU HA H 4.300 0.05 . 32 -5 16 LEU C C 176.969 0.1 . 33 -5 16 LEU CA C 55.199 0.1 . 34 -5 16 LEU CB C 42.333 0.1 . 35 -5 16 LEU N N 125.218 0.05 . 36 -4 17 PHE H H 8.224 0.05 . 37 -4 17 PHE HA H 4.625 0.05 . 38 -4 17 PHE HB2 H 3.082 0.000 . 39 -4 17 PHE C C 175.449 0.1 . 40 -4 17 PHE CA C 57.924 0.1 . 41 -4 17 PHE CB C 39.464 0.1 . 42 -4 17 PHE N N 121.054 0.05 . 43 -3 18 GLN H H 8.261 0.05 . 44 -3 18 GLN HB2 H 2.103 0.05 . 45 -3 18 GLN C C 175.625 0.1 . 46 -3 18 GLN CA C 55.550 0.1 . 47 -3 18 GLN CB C 29.979 0.1 . 48 -3 18 GLN N N 122.237 0.05 . 49 -2 19 GLY H H 7.894 0.05 . 50 -2 19 GLY HA2 H 4.053 0.000 . 51 -2 19 GLY CA C 44.910 0.1 . 52 -2 19 GLY N N 109.748 0.05 . 53 -1 20 PRO C C 175.938 0.1 . 54 -1 20 PRO CA C 62.309 0.1 . 55 0 21 HIS H H 7.681 0.05 . 56 0 21 HIS C C 175.505 0.1 . 57 0 21 HIS CA C 57.568 0.1 . 58 0 21 HIS CB C 29.979 0.1 . 59 0 21 HIS N N 118.762 0.05 . 60 1 22 MET H H 8.113 0.05 . 61 1 22 MET HA H 4.420 0.05 . 62 1 22 MET HB2 H 2.080 0.000 . 63 1 22 MET C C 175.983 0.1 . 64 1 22 MET CA C 55.662 0.1 . 65 1 22 MET CB C 32.712 0.1 . 66 1 22 MET N N 121.054 0.05 . 67 2 23 ALA H H 8.163 0.05 . 68 2 23 ALA HA H 4.291 0.05 . 69 2 23 ALA HB H 1.442 0.000 . 70 2 23 ALA C C 177.458 0.1 . 71 2 23 ALA CA C 52.660 0.1 . 72 2 23 ALA CB C 19.450 0.1 . 73 2 23 ALA N N 124.448 0.05 . 74 3 24 ARG H H 8.276 0.05 . 75 3 24 ARG HA H 4.360 0.05 . 76 3 24 ARG HB2 H 1.896 0.000 . 77 3 24 ARG HG2 H 1.631 0.000 . 78 3 24 ARG C C 176.859 0.1 . 79 3 24 ARG CA C 57.134 0.1 . 80 3 24 ARG CB C 30.868 0.1 . 81 3 24 ARG N N 119.941 0.05 . 82 4 25 GLN H H 8.340 0.05 . 83 4 25 GLN HE21 H 7.545 0.05 . 84 4 25 GLN HE22 H 6.886 0.05 . 85 4 25 GLN C C 177.757 0.1 . 86 4 25 GLN CA C 55.935 0.1 . 87 4 25 GLN CB C 29.799 0.1 . 88 4 25 GLN N N 125.143 0.05 . 89 4 25 GLN NE2 N 112.741 0.05 . 90 5 26 VAL H H 8.043 0.05 . 91 5 26 VAL HA H 4.260 0.05 . 92 5 26 VAL HB H 2.014 0.05 . 93 5 26 VAL C C 176.666 0.1 . 94 5 26 VAL CA C 62.721 0.1 . 95 5 26 VAL CB C 32.859 0.1 . 96 5 26 VAL N N 121.030 0.05 . 97 6 27 ILE H H 8.410 0.05 . 98 6 27 ILE HA H 4.490 0.05 . 99 6 27 ILE HB H 2.098 0.05 . 100 6 27 ILE C C 173.592 0.1 . 101 6 27 ILE CA C 55.328 0.1 . 102 6 27 ILE CB C 32.480 0.1 . 103 6 27 ILE N N 123.392 0.05 . 104 7 28 CYS H H 8.587 0.05 . 105 7 28 CYS HA H 4.173 0.05 . 106 7 28 CYS C C 173.600 0.1 . 107 7 28 CYS CA C 56.288 0.1 . 108 7 28 CYS CB C 38.820 0.1 . 109 7 28 CYS N N 126.418 0.05 . 110 8 29 TRP H H 9.444 0.05 . 111 8 29 TRP HA H 5.154 0.05 . 112 8 29 TRP HB2 H 3.299 0.000 . 113 8 29 TRP HD1 H 6.815 0.05 . 114 8 29 TRP C C 174.724 0.1 . 115 8 29 TRP CA C 56.973 0.1 . 116 8 29 TRP CB C 35.175 0.1 . 117 8 29 TRP N N 124.690 0.05 . 118 9 30 CYS H H 9.792 0.05 . 119 9 30 CYS HA H 5.715 0.05 . 120 9 30 CYS HB2 H 3.455 0.05 . 121 9 30 CYS HB3 H 2.968 0.05 . 122 9 30 CYS C C 174.209 0.1 . 123 9 30 CYS CA C 58.099 0.1 . 124 9 30 CYS CB C 30.070 0.1 . 125 9 30 CYS N N 120.259 0.05 . 126 10 31 PHE H H 8.667 0.05 . 127 10 31 PHE HA H 5.983 0.05 . 128 10 31 PHE HD1 H 7.333 0.000 . 129 10 31 PHE C C 172.920 0.1 . 130 10 31 PHE CA C 56.692 0.1 . 131 10 31 PHE CB C 44.044 0.1 . 132 10 31 PHE N N 118.676 0.05 . 133 11 32 THR H H 8.259 0.05 . 134 11 32 THR HA H 5.155 0.05 . 135 11 32 THR HB H 3.925 0.05 . 136 11 32 THR HG2 H 2.280 0.000 . 137 11 32 THR C C 173.976 0.1 . 138 11 32 THR CA C 60.455 0.1 . 139 11 32 THR CB C 72.696 0.1 . 140 11 32 THR N N 110.824 0.05 . 141 12 33 LEU H H 8.991 0.05 . 142 12 33 LEU HA H 4.895 0.05 . 143 12 33 LEU HB2 H 2.017 0.05 . 144 12 33 LEU HB3 H 1.132 0.05 . 145 12 33 LEU HG H 1.239 0.05 . 146 12 33 LEU HD1 H 0.888 0.000 . 147 12 33 LEU C C 174.692 0.1 . 148 12 33 LEU CA C 54.040 0.1 . 149 12 33 LEU CB C 46.368 0.1 . 150 12 33 LEU N N 124.789 0.05 . 151 13 34 ASN H H 9.223 0.05 . 152 13 34 ASN HA H 4.867 0.05 . 153 13 34 ASN HB2 H 2.754 0.000 . 154 13 34 ASN HD21 H 7.438 0.05 . 155 13 34 ASN HD22 H 6.913 0.05 . 156 13 34 ASN C C 173.983 0.1 . 157 13 34 ASN CA C 53.718 0.1 . 158 13 34 ASN CB C 39.557 0.1 . 159 13 34 ASN N N 127.809 0.05 . 160 13 34 ASN ND2 N 111.775 0.05 . 161 14 35 ASN H H 9.153 0.05 . 162 14 35 ASN HA H 4.321 0.05 . 163 14 35 ASN HB2 H 2.769 0.000 . 164 14 35 ASN HD21 H 7.677 0.05 . 165 14 35 ASN HD22 H 7.193 0.05 . 166 14 35 ASN CA C 53.661 0.1 . 167 14 35 ASN CB C 38.087 0.1 . 168 14 35 ASN N N 117.159 0.05 . 169 14 35 ASN ND2 N 114.720 0.05 . 170 15 36 PRO HA H 4.042 0.05 . 171 15 36 PRO HB2 H 1.247 0.000 . 172 15 36 PRO C C 178.098 0.1 . 173 15 36 PRO CA C 62.587 0.1 . 174 15 36 PRO CB C 33.624 0.1 . 175 16 37 LEU H H 8.876 0.05 . 176 16 37 LEU HA H 4.377 0.05 . 177 16 37 LEU HB2 H 1.638 0.000 . 178 16 37 LEU HG H 1.584 0.05 . 179 16 37 LEU HD1 H 0.934 0.000 . 180 16 37 LEU HD2 H 0.862 0.000 . 181 16 37 LEU C C 177.066 0.1 . 182 16 37 LEU CA C 55.135 0.1 . 183 16 37 LEU CB C 43.585 0.1 . 184 16 37 LEU N N 120.738 0.05 . 185 17 38 SER H H 7.353 0.05 . 186 17 38 SER HA H 4.932 0.05 . 187 17 38 SER HB2 H 3.772 0.000 . 188 17 38 SER CA C 56.457 0.1 . 189 17 38 SER CB C 64.904 0.1 . 190 17 38 SER N N 112.971 0.05 . 191 18 39 PRO HB2 H 2.036 0.05 . 192 18 39 PRO HB3 H 1.613 0.05 . 193 18 39 PRO C C 176.204 0.1 . 194 18 39 PRO CA C 62.844 0.1 . 195 18 39 PRO CB C 32.662 0.1 . 196 19 40 LEU H H 6.947 0.05 . 197 19 40 LEU HA H 4.401 0.05 . 198 19 40 LEU HB2 H 1.000 0.000 . 199 19 40 LEU HG H 1.120 0.05 . 200 19 40 LEU HD1 H 0.655 0.000 . 201 19 40 LEU HD2 H 0.100 0.000 . 202 19 40 LEU C C 175.848 0.1 . 203 19 40 LEU CA C 53.114 0.1 . 204 19 40 LEU CB C 42.834 0.1 . 205 19 40 LEU N N 119.170 0.05 . 206 20 41 SER H H 7.798 0.05 . 207 20 41 SER HA H 4.072 0.05 . 208 20 41 SER HB2 H 3.487 0.000 . 209 20 41 SER C C 172.154 0.1 . 210 20 41 SER CA C 56.285 0.1 . 211 20 41 SER CB C 65.527 0.1 . 212 20 41 SER N N 113.701 0.05 . 213 21 42 LEU H H 7.912 0.05 . 214 21 42 LEU HA H 4.090 0.05 . 215 21 42 LEU HB2 H 1.815 0.05 . 216 21 42 LEU HB3 H 0.991 0.05 . 217 21 42 LEU HG H 1.495 0.05 . 218 21 42 LEU HD1 H 0.691 0.000 . 219 21 42 LEU C C 175.935 0.1 . 220 21 42 LEU CA C 54.833 0.1 . 221 21 42 LEU CB C 42.345 0.1 . 222 21 42 LEU N N 121.667 0.05 . 223 22 43 HIS H H 8.023 0.05 . 224 22 43 HIS HA H 4.395 0.05 . 225 22 43 HIS HB2 H 3.382 0.05 . 226 22 43 HIS HB3 H 2.657 0.05 . 227 22 43 HIS C C 176.353 0.1 . 228 22 43 HIS CA C 57.481 0.1 . 229 22 43 HIS CB C 32.593 0.1 . 230 22 43 HIS N N 134.257 0.05 . 231 23 44 ASP H H 8.142 0.05 . 232 23 44 ASP HA H 4.383 0.05 . 233 23 44 ASP HB2 H 2.419 0.000 . 234 23 44 ASP C C 176.055 0.1 . 235 23 44 ASP CA C 57.375 0.1 . 236 23 44 ASP CB C 41.163 0.1 . 237 23 44 ASP N N 125.549 0.05 . 238 24 45 SER H H 9.568 0.05 . 239 24 45 SER HA H 4.505 0.05 . 240 24 45 SER HB2 H 4.107 0.000 . 241 24 45 SER C C 175.923 0.1 . 242 24 45 SER CA C 59.817 0.1 . 243 24 45 SER CB C 63.891 0.1 . 244 24 45 SER N N 113.926 0.05 . 245 25 46 MET H H 8.574 0.05 . 246 25 46 MET HA H 4.845 0.05 . 247 25 46 MET HB2 H 2.385 0.000 . 248 25 46 MET HG2 H 2.883 0.05 . 249 25 46 MET HG3 H 2.531 0.05 . 250 25 46 MET HE H 1.872 0.000 . 251 25 46 MET C C 173.612 0.1 . 252 25 46 MET CA C 56.465 0.1 . 253 25 46 MET CB C 33.729 0.1 . 254 25 46 MET N N 124.418 0.05 . 255 26 47 LYS H H 9.558 0.05 . 256 26 47 LYS HA H 4.446 0.05 . 257 26 47 LYS HB2 H 1.843 0.05 . 258 26 47 LYS HB3 H 1.540 0.05 . 259 26 47 LYS HG2 H 1.731 0.000 . 260 26 47 LYS C C 176.678 0.1 . 261 26 47 LYS CA C 56.181 0.1 . 262 26 47 LYS CB C 32.539 0.1 . 263 26 47 LYS N N 121.731 0.05 . 264 27 48 TYR H H 8.467 0.05 . 265 27 48 TYR HA H 5.299 0.05 . 266 27 48 TYR HB2 H 3.522 0.05 . 267 27 48 TYR HB3 H 2.508 0.05 . 268 27 48 TYR HD1 H 6.960 0.000 . 269 27 48 TYR C C 171.581 0.1 . 270 27 48 TYR CA C 57.051 0.1 . 271 27 48 TYR CB C 43.021 0.1 . 272 27 48 TYR N N 120.690 0.05 . 273 28 49 LEU H H 8.200 0.05 . 274 28 49 LEU HA H 5.060 0.05 . 275 28 49 LEU HB2 H 1.748 0.05 . 276 28 49 LEU HB3 H 1.582 0.05 . 277 28 49 LEU HD1 H 0.979 0.000 . 278 28 49 LEU HD2 H 0.688 0.000 . 279 28 49 LEU C C 172.181 0.1 . 280 28 49 LEU CA C 54.149 0.1 . 281 28 49 LEU CB C 46.731 0.1 . 282 28 49 LEU N N 129.151 0.05 . 283 29 50 VAL H H 9.090 0.05 . 284 29 50 VAL HA H 5.765 0.05 . 285 29 50 VAL HB H 1.957 0.05 . 286 29 50 VAL HG1 H 0.993 0.000 . 287 29 50 VAL HG2 H 0.993 0.000 . 288 29 50 VAL C C 172.634 0.1 . 289 29 50 VAL CA C 58.359 0.1 . 290 29 50 VAL CB C 33.916 0.1 . 291 29 50 VAL N N 124.532 0.05 . 292 30 51 TYR H H 8.907 0.05 . 293 30 51 TYR HA H 5.791 0.05 . 294 30 51 TYR HB2 H 3.330 0.000 . 295 30 51 TYR HD1 H 5.859 0.000 . 296 30 51 TYR C C 171.660 0.1 . 297 30 51 TYR CA C 56.591 0.1 . 298 30 51 TYR CB C 41.622 0.1 . 299 30 51 TYR N N 121.593 0.05 . 300 31 52 GLN H H 8.894 0.05 . 301 31 52 GLN HA H 5.020 0.05 . 302 31 52 GLN HB2 H 2.075 0.000 . 303 31 52 GLN HG2 H 2.723 0.000 . 304 31 52 GLN C C 173.891 0.1 . 305 31 52 GLN CA C 53.945 0.1 . 306 31 52 GLN CB C 30.888 0.1 . 307 31 52 GLN N N 113.838 0.05 . 308 32 53 THR H H 8.619 0.05 . 309 32 53 THR HA H 5.543 0.05 . 310 32 53 THR HB H 4.214 0.05 . 311 32 53 THR HG2 H 1.407 0.000 . 312 32 53 THR C C 174.470 0.1 . 313 32 53 THR CA C 62.506 0.1 . 314 32 53 THR CB C 68.675 0.1 . 315 32 53 THR N N 118.850 0.05 . 316 33 54 GLU H H 9.475 0.05 . 317 33 54 GLU HA H 4.893 0.05 . 318 33 54 GLU HB2 H 2.018 0.05 . 319 33 54 GLU HB3 H 1.222 0.05 . 320 33 54 GLU HG2 H 2.194 0.000 . 321 33 54 GLU C C 174.217 0.1 . 322 33 54 GLU CA C 54.283 0.1 . 323 33 54 GLU CB C 33.972 0.1 . 324 33 54 GLU N N 126.191 0.05 . 325 34 55 GLN H H 8.719 0.05 . 326 34 55 GLN HA H 4.464 0.05 . 327 34 55 GLN HB2 H 2.106 0.05 . 328 34 55 GLN HB3 H 1.991 0.05 . 329 34 55 GLN HG2 H 2.426 0.000 . 330 34 55 GLN HE21 H 7.486 0.05 . 331 34 55 GLN HE22 H 6.742 0.05 . 332 34 55 GLN C C 176.120 0.1 . 333 34 55 GLN CA C 55.975 0.1 . 334 34 55 GLN CB C 30.799 0.1 . 335 34 55 GLN N N 119.705 0.05 . 336 34 55 GLN NE2 N 113.015 0.05 . 337 35 56 GLY H H 8.491 0.05 . 338 35 56 GLY HA2 H 4.643 0.05 . 339 35 56 GLY HA3 H 4.618 0.000 . 340 35 56 GLY C C 174.251 0.1 . 341 35 56 GLY CA C 43.928 0.1 . 342 35 56 GLY N N 115.670 0.05 . 343 36 57 GLU H H 8.816 0.05 . 344 36 57 GLU HA H 4.298 0.05 . 345 36 57 GLU HB2 H 2.013 0.000 . 346 36 57 GLU HB3 H 1.519 0.05 . 347 36 57 GLU HG2 H 2.335 0.000 . 348 36 57 GLU C C 177.191 0.1 . 349 36 57 GLU CA C 57.028 0.1 . 350 36 57 GLU CB C 30.089 0.1 . 351 36 57 GLU N N 121.879 0.05 . 352 37 58 ALA H H 8.907 0.05 . 353 37 58 ALA HA H 4.216 0.05 . 354 37 58 ALA HB H 1.398 0.000 . 355 37 58 ALA C C 177.476 0.1 . 356 37 58 ALA CA C 52.996 0.1 . 357 37 58 ALA CB C 37.827 0.1 . 358 37 58 ALA N N 123.166 0.05 . 359 38 59 GLY H H 8.462 0.05 . 360 38 59 GLY HA2 H 4.142 0.05 . 361 38 59 GLY HA3 H 3.684 0.05 . 362 38 59 GLY C C 174.454 0.1 . 363 38 59 GLY CA C 45.295 0.1 . 364 38 59 GLY N N 106.626 0.05 . 365 39 60 ASN H H 8.084 0.05 . 366 39 60 ASN HA H 4.915 0.05 . 367 39 60 ASN HB2 H 2.959 0.05 . 368 39 60 ASN HB3 H 2.826 0.05 . 369 39 60 ASN HD21 H 7.595 0.05 . 370 39 60 ASN HD22 H 7.119 0.05 . 371 39 60 ASN C C 174.836 0.1 . 372 39 60 ASN CA C 53.688 0.1 . 373 39 60 ASN CB C 39.910 0.1 . 374 39 60 ASN N N 118.998 0.05 . 375 39 60 ASN ND2 N 115.257 0.05 . 376 40 61 ILE H H 8.390 0.05 . 377 40 61 ILE HA H 4.860 0.05 . 378 40 61 ILE HB H 1.796 0.05 . 379 40 61 ILE HG12 H 1.359 0.05 . 380 40 61 ILE HG13 H 1.163 0.05 . 381 40 61 ILE HG2 H 0.839 0.000 . 382 40 61 ILE HD1 H 0.755 0.000 . 383 40 61 ILE C C 175.353 0.1 . 384 40 61 ILE CA C 60.600 0.1 . 385 40 61 ILE CB C 40.951 0.1 . 386 40 61 ILE N N 118.865 0.05 . 387 41 62 HIS H H 8.724 0.05 . 388 41 62 HIS HA H 5.467 0.05 . 389 41 62 HIS HB2 H 3.386 0.05 . 390 41 62 HIS HB3 H 2.952 0.05 . 391 41 62 HIS C C 175.159 0.1 . 392 41 62 HIS CA C 54.843 0.1 . 393 41 62 HIS CB C 32.516 0.1 . 394 41 62 HIS N N 116.068 0.05 . 395 42 63 PHE H H 8.911 0.05 . 396 42 63 PHE HA H 6.407 0.05 . 397 42 63 PHE HB2 H 3.424 0.05 . 398 42 63 PHE HB3 H 3.191 0.05 . 399 42 63 PHE HD1 H 7.293 0.000 . 400 42 63 PHE C C 176.588 0.1 . 401 42 63 PHE CA C 53.020 0.1 . 402 42 63 PHE CB C 40.736 0.1 . 403 42 63 PHE N N 117.190 0.05 . 404 43 64 GLN H H 9.260 0.05 . 405 43 64 GLN HA H 4.932 0.05 . 406 43 64 GLN HB2 H 2.001 0.000 . 407 43 64 GLN HG2 H 2.311 0.000 . 408 43 64 GLN HE21 H 7.639 0.05 . 409 43 64 GLN HE22 H 6.845 0.05 . 410 43 64 GLN C C 177.772 0.1 . 411 43 64 GLN CA C 54.402 0.1 . 412 43 64 GLN CB C 31.830 0.1 . 413 43 64 GLN N N 123.426 0.05 . 414 43 64 GLN NE2 N 112.714 0.05 . 415 44 65 GLY H H 8.337 0.05 . 416 44 65 GLY HA2 H 3.929 0.000 . 417 44 65 GLY CA C 45.650 0.1 . 418 44 65 GLY N N 114.696 0.05 . 419 45 66 TYR H H 8.786 0.05 . 420 45 66 TYR HB2 H 2.952 0.000 . 421 45 66 TYR HD1 H 6.811 0.000 . 422 45 66 TYR C C 176.662 0.1 . 423 45 66 TYR CA C 60.200 0.1 . 424 45 66 TYR CB C 37.564 0.1 . 425 45 66 TYR N N 128.758 0.05 . 426 46 67 ILE H H 8.701 0.05 . 427 46 67 ILE HA H 4.856 0.05 . 428 46 67 ILE HB H 2.138 0.05 . 429 46 67 ILE HG2 H 1.195 0.000 . 430 46 67 ILE HD1 H 0.561 0.000 . 431 46 67 ILE CA C 62.815 0.1 . 432 46 67 ILE N N 123.181 0.05 . 433 47 68 GLU C C 176.735 0.1 . 434 48 69 MET H H 9.409 0.05 . 435 48 69 MET HA H 5.226 0.05 . 436 48 69 MET HB2 H 1.931 0.000 . 437 48 69 MET HG2 H 2.313 0.000 . 438 48 69 MET C C 176.309 0.1 . 439 48 69 MET CA C 60.428 0.1 . 440 48 69 MET N N 124.873 0.05 . 441 49 70 LYS H H 8.004 0.05 . 442 49 70 LYS HA H 4.027 0.05 . 443 49 70 LYS HB2 H 1.933 0.05 . 444 49 70 LYS HB3 H 1.710 0.05 . 445 49 70 LYS C C 176.363 0.1 . 446 49 70 LYS CA C 56.829 0.1 . 447 49 70 LYS CB C 32.890 0.1 . 448 49 70 LYS N N 117.158 0.05 . 449 50 71 LYS H H 8.132 0.05 . 450 50 71 LYS HA H 4.566 0.05 . 451 50 71 LYS HB2 H 1.764 0.05 . 452 50 71 LYS HB3 H 1.651 0.05 . 453 50 71 LYS HG2 H 1.358 0.000 . 454 50 71 LYS C C 175.534 0.1 . 455 50 71 LYS CA C 53.712 0.1 . 456 50 71 LYS CB C 35.682 0.1 . 457 50 71 LYS N N 116.065 0.05 . 458 51 72 ARG H H 8.770 0.05 . 459 51 72 ARG HA H 4.784 0.05 . 460 51 72 ARG HB2 H 1.585 0.05 . 461 51 72 ARG HB3 H 1.399 0.05 . 462 51 72 ARG HG2 H 1.812 0.000 . 463 51 72 ARG HD2 H 3.206 0.000 . 464 51 72 ARG CA C 58.508 0.1 . 465 51 72 ARG CB C 29.438 0.1 . 466 51 72 ARG N N 121.608 0.05 . 467 52 73 THR H H 6.869 0.05 . 468 52 73 THR HA H 4.479 0.05 . 469 52 73 THR HB H 4.154 0.05 . 470 52 73 THR HG2 H 1.352 0.000 . 471 52 73 THR C C 173.055 0.1 . 472 52 73 THR CA C 62.680 0.1 . 473 52 73 THR CB C 73.383 0.1 . 474 52 73 THR N N 117.278 0.05 . 475 53 74 SER H H 9.050 0.05 . 476 53 74 SER HA H 5.096 0.05 . 477 53 74 SER HB2 H 4.463 0.05 . 478 53 74 SER HB3 H 4.032 0.05 . 479 53 74 SER C C 174.316 0.1 . 480 53 74 SER CA C 57.276 0.1 . 481 53 74 SER CB C 63.270 0.1 . 482 53 74 SER N N 124.168 0.05 . 483 54 75 LEU H H 9.196 0.05 . 484 54 75 LEU HA H 3.850 0.05 . 485 54 75 LEU HB2 H 1.892 0.000 . 486 54 75 LEU HG H 1.790 0.05 . 487 54 75 LEU HD1 H 0.915 0.000 . 488 54 75 LEU HD2 H 1.093 0.000 . 489 54 75 LEU C C 177.997 0.1 . 490 54 75 LEU CA C 57.793 0.1 . 491 54 75 LEU CB C 41.692 0.1 . 492 54 75 LEU N N 122.513 0.05 . 493 55 76 ALA H H 8.222 0.05 . 494 55 76 ALA HA H 4.493 0.05 . 495 55 76 ALA HB H 1.352 0.000 . 496 55 76 ALA C C 180.925 0.1 . 497 55 76 ALA CA C 54.976 0.1 . 498 55 76 ALA CB C 18.345 0.1 . 499 55 76 ALA N N 119.290 0.05 . 500 56 77 GLY H H 7.877 0.05 . 501 56 77 GLY HA2 H 3.544 0.05 . 502 56 77 GLY HA3 H 3.435 0.05 . 503 56 77 GLY C C 176.452 0.1 . 504 56 77 GLY CA C 46.807 0.1 . 505 56 77 GLY N N 106.650 0.05 . 506 57 78 MET H H 7.441 0.05 . 507 57 78 MET HA H 3.871 0.05 . 508 57 78 MET HB2 H 0.430 0.05 . 509 57 78 MET HB3 H -0.409 0.05 . 510 57 78 MET HG2 H 0.373 0.05 . 511 57 78 MET HG3 H 1.358 0.05 . 512 57 78 MET C C 178.797 0.1 . 513 57 78 MET CA C 55.310 0.1 . 514 57 78 MET CB C 25.227 0.1 . 515 57 78 MET N N 122.873 0.05 . 516 58 79 LYS H H 7.966 0.05 . 517 58 79 LYS HA H 3.916 0.05 . 518 58 79 LYS HB2 H 1.828 0.05 . 519 58 79 LYS HB3 H 1.660 0.05 . 520 58 79 LYS HG2 H 1.563 0.000 . 521 58 79 LYS C C 178.837 0.1 . 522 58 79 LYS CA C 59.118 0.1 . 523 58 79 LYS CB C 32.683 0.1 . 524 58 79 LYS N N 118.737 0.05 . 525 59 80 LYS H H 6.869 0.05 . 526 59 80 LYS HA H 3.918 0.05 . 527 59 80 LYS HB2 H 1.722 0.000 . 528 59 80 LYS HG2 H 1.354 0.000 . 529 59 80 LYS HD2 H 1.577 0.000 . 530 59 80 LYS C C 177.772 0.1 . 531 59 80 LYS CA C 58.206 0.1 . 532 59 80 LYS CB C 32.473 0.1 . 533 59 80 LYS N N 114.737 0.05 . 534 60 81 LEU H H 7.141 0.05 . 535 60 81 LEU HA H 3.907 0.05 . 536 60 81 LEU HB2 H 1.704 0.05 . 537 60 81 LEU HB3 H 1.128 0.05 . 538 60 81 LEU HG H 1.525 0.05 . 539 60 81 LEU HD1 H 0.520 0.000 . 540 60 81 LEU C C 178.208 0.1 . 541 60 81 LEU CA C 56.635 0.1 . 542 60 81 LEU CB C 42.112 0.1 . 543 60 81 LEU N N 117.850 0.05 . 544 61 82 ILE H H 7.063 0.05 . 545 61 82 ILE HA H 4.163 0.05 . 546 61 82 ILE HG12 H 1.116 0.05 . 547 61 82 ILE HG13 H 1.534 0.05 . 548 61 82 ILE HG2 H 0.553 0.000 . 549 61 82 ILE CA C 58.907 0.1 . 550 61 82 ILE CB C 37.740 0.1 . 551 61 82 ILE N N 114.307 0.05 . 552 62 83 PRO HA H 4.545 0.05 . 553 62 83 PRO HB2 H 1.822 0.000 . 554 62 83 PRO C C 178.166 0.1 . 555 62 83 PRO CA C 64.387 0.1 . 556 62 83 PRO CB C 31.739 0.1 . 557 63 84 GLY H H 8.767 0.05 . 558 63 84 GLY HA2 H 4.185 0.05 . 559 63 84 GLY HA3 H 3.970 0.05 . 560 63 84 GLY C C 174.886 0.1 . 561 63 84 GLY CA C 44.976 0.1 . 562 63 84 GLY N N 110.838 0.05 . 563 64 85 ALA H H 7.672 0.05 . 564 64 85 ALA HA H 4.456 0.05 . 565 64 85 ALA HB H 0.866 0.000 . 566 64 85 ALA C C 176.291 0.1 . 567 64 85 ALA CA C 52.126 0.1 . 568 64 85 ALA CB C 19.182 0.1 . 569 64 85 ALA N N 122.901 0.05 . 570 65 86 HIS H H 8.890 0.05 . 571 65 86 HIS HA H 4.934 0.05 . 572 65 86 HIS HB2 H 3.167 0.000 . 573 65 86 HIS HD2 H 7.073 0.05 . 574 65 86 HIS C C 174.423 0.1 . 575 65 86 HIS CA C 55.104 0.1 . 576 65 86 HIS CB C 30.021 0.1 . 577 65 86 HIS N N 119.903 0.05 . 578 66 87 PHE H H 8.814 0.05 . 579 66 87 PHE HA H 5.497 0.05 . 580 66 87 PHE HB2 H 3.218 0.05 . 581 66 87 PHE HB3 H 2.587 0.05 . 582 66 87 PHE C C 175.647 0.1 . 583 66 87 PHE CA C 58.142 0.1 . 584 66 87 PHE CB C 42.848 0.1 . 585 66 87 PHE N N 125.565 0.05 . 586 67 88 GLU H H 9.325 0.05 . 587 67 88 GLU HA H 4.935 0.05 . 588 67 88 GLU HB2 H 2.140 0.05 . 589 67 88 GLU HB3 H 1.961 0.05 . 590 67 88 GLU HG2 H 2.320 0.000 . 591 67 88 GLU C C 174.882 0.1 . 592 67 88 GLU CA C 55.214 0.1 . 593 67 88 GLU CB C 34.054 0.1 . 594 67 88 GLU N N 118.481 0.05 . 595 68 89 LYS H H 8.910 0.05 . 596 68 89 LYS HA H 3.681 0.05 . 597 68 89 LYS HB2 H 1.437 0.05 . 598 68 89 LYS HB3 H 1.183 0.05 . 599 68 89 LYS HG2 H 0.618 0.000 . 600 68 89 LYS HD2 H 1.493 0.000 . 601 68 89 LYS CA C 57.065 0.1 . 602 68 89 LYS CB C 32.292 0.1 . 603 68 89 LYS N N 125.693 0.05 . 604 69 90 ARG HA H 4.206 0.05 . 605 69 90 ARG C C 176.108 0.1 . 606 70 91 ARG H H 8.588 0.05 . 607 70 91 ARG HA H 4.434 0.05 . 608 70 91 ARG HB2 H 1.759 0.05 . 609 70 91 ARG HB3 H 1.674 0.05 . 610 70 91 ARG HG2 H 1.597 0.000 . 611 70 91 ARG C C 176.912 0.1 . 612 70 91 ARG CA C 56.666 0.1 . 613 70 91 ARG CB C 31.699 0.1 . 614 70 91 ARG N N 128.042 0.05 . 615 71 92 GLY H H 8.000 0.05 . 616 71 92 GLY HA2 H 4.221 0.000 . 617 71 92 GLY C C 174.445 0.1 . 618 71 92 GLY CA C 44.465 0.1 . 619 71 92 GLY N N 110.438 0.05 . 620 72 93 THR H H 8.627 0.05 . 621 72 93 THR HA H 4.364 0.05 . 622 72 93 THR HB H 4.367 0.05 . 623 72 93 THR HG2 H 1.271 0.000 . 624 72 93 THR C C 175.883 0.1 . 625 72 93 THR CA C 61.330 0.1 . 626 72 93 THR CB C 71.337 0.1 . 627 72 93 THR N N 112.049 0.05 . 628 73 94 GLN H H 9.324 0.05 . 629 73 94 GLN HA H 3.680 0.05 . 630 73 94 GLN HB2 H 2.250 0.05 . 631 73 94 GLN HB3 H 2.133 0.05 . 632 73 94 GLN HE21 H 7.718 0.05 . 633 73 94 GLN HE22 H 7.033 0.05 . 634 73 94 GLN C C 174.311 0.1 . 635 73 94 GLN CA C 53.274 0.1 . 636 73 94 GLN N N 122.100 0.05 . 637 73 94 GLN NE2 N 112.617 0.05 . 638 74 95 GLY H H 8.012 0.05 . 639 74 95 GLY HA2 H 3.949 0.05 . 640 74 95 GLY HA3 H 4.980 0.000 . 641 74 95 GLY C C 177.381 0.1 . 642 74 95 GLY CA C 47.100 0.1 . 643 74 95 GLY N N 109.785 0.05 . 644 75 96 GLU H H 7.917 0.05 . 645 75 96 GLU HA H 3.928 0.05 . 646 75 96 GLU HB2 H 1.906 0.000 . 647 75 96 GLU HG2 H 2.245 0.000 . 648 75 96 GLU C C 179.070 0.1 . 649 75 96 GLU CA C 59.200 0.1 . 650 75 96 GLU CB C 29.511 0.1 . 651 75 96 GLU N N 122.544 0.05 . 652 76 97 ALA H H 7.866 0.05 . 653 76 97 ALA HA H 3.980 0.05 . 654 76 97 ALA HB H 0.713 0.000 . 655 76 97 ALA C C 180.629 0.1 . 656 76 97 ALA CA C 54.711 0.1 . 657 76 97 ALA CB C 18.423 0.1 . 658 76 97 ALA N N 123.926 0.05 . 659 77 98 ARG H H 8.035 0.05 . 660 77 98 ARG HA H 3.653 0.05 . 661 77 98 ARG HB2 H 1.594 0.000 . 662 77 98 ARG C C 176.803 0.1 . 663 77 98 ARG CA C 60.236 0.1 . 664 77 98 ARG CB C 32.255 0.1 . 665 77 98 ARG N N 119.815 0.05 . 666 78 99 ALA H H 7.880 0.05 . 667 78 99 ALA HA H 4.201 0.05 . 668 78 99 ALA HB H 1.451 0.000 . 669 78 99 ALA C C 177.105 0.1 . 670 78 99 ALA CA C 58.766 0.1 . 671 78 99 ALA CB C 18.869 0.1 . 672 78 99 ALA N N 122.694 0.05 . 673 79 100 TYR H H 7.859 0.05 . 674 79 100 TYR HA H 3.880 0.05 . 675 79 100 TYR C C 177.609 0.1 . 676 79 100 TYR CA C 55.223 0.1 . 677 79 100 TYR N N 118.749 0.05 . 678 80 101 SER H H 7.247 0.05 . 679 80 101 SER HA H 4.383 0.05 . 680 80 101 SER HB2 H 3.937 0.000 . 681 80 101 SER CA C 62.285 0.1 . 682 80 101 SER CB C 64.914 0.1 . 683 80 101 SER N N 112.836 0.05 . 684 82 103 LYS C C 176.764 0.1 . 685 82 103 LYS CB C 30.060 0.1 . 686 83 104 GLU H H 8.615 0.05 . 687 83 104 GLU HA H 4.178 0.05 . 688 83 104 GLU HB2 H 1.969 0.000 . 689 83 104 GLU HG2 H 2.253 0.000 . 690 83 104 GLU C C 178.903 0.1 . 691 83 104 GLU CA C 59.335 0.1 . 692 83 104 GLU CB C 30.231 0.1 . 693 83 104 GLU N N 121.521 0.05 . 694 84 105 ASP H H 8.426 0.05 . 695 84 105 ASP HA H 4.223 0.05 . 696 84 105 ASP HB2 H 2.613 0.000 . 697 84 105 ASP C C 176.667 0.1 . 698 84 105 ASP CA C 56.837 0.1 . 699 84 105 ASP CB C 40.282 0.1 . 700 84 105 ASP N N 116.768 0.05 . 701 85 106 THR H H 8.919 0.05 . 702 85 106 THR HA H 3.868 0.05 . 703 85 106 THR HB H 4.741 0.05 . 704 85 106 THR HG2 H 1.077 0.000 . 705 85 106 THR C C 174.041 0.1 . 706 85 106 THR N N 105.549 0.05 . 707 86 107 ARG H H 7.150 0.05 . 708 86 107 ARG HA H 3.907 0.05 . 709 86 107 ARG HB2 H 2.014 0.05 . 710 86 107 ARG HB3 H 1.508 0.05 . 711 86 107 ARG C C 176.636 0.1 . 712 86 107 ARG CA C 58.797 0.1 . 713 86 107 ARG CB C 31.073 0.1 . 714 86 107 ARG N N 123.418 0.05 . 715 87 108 LEU H H 9.605 0.05 . 716 87 108 LEU HA H 4.581 0.05 . 717 87 108 LEU HB2 H 1.573 0.000 . 718 87 108 LEU HD1 H 0.880 0.000 . 719 87 108 LEU C C 176.657 0.1 . 720 87 108 LEU CA C 55.656 0.1 . 721 87 108 LEU CB C 44.483 0.1 . 722 87 108 LEU N N 128.279 0.05 . 723 88 109 GLU H H 7.691 0.05 . 724 88 109 GLU HA H 4.438 0.05 . 725 88 109 GLU HB2 H 2.313 0.05 . 726 88 109 GLU HB3 H 2.073 0.05 . 727 88 109 GLU HG2 H 2.467 0.000 . 728 88 109 GLU C C 173.037 0.1 . 729 88 109 GLU CA C 55.182 0.1 . 730 88 109 GLU CB C 34.083 0.1 . 731 88 109 GLU N N 117.455 0.05 . 732 89 110 GLY H H 8.181 0.05 . 733 89 110 GLY HA2 H 3.139 0.05 . 734 89 110 GLY HA3 H 1.401 0.05 . 735 89 110 GLY CA C 40.178 0.1 . 736 89 110 GLY N N 111.108 0.05 . 737 90 111 PRO HA H 5.044 0.05 . 738 90 111 PRO HB2 H 2.161 0.000 . 739 90 111 PRO C C 174.613 0.1 . 740 90 111 PRO CA C 61.963 0.1 . 741 90 111 PRO CB C 35.308 0.1 . 742 91 112 TRP H H 8.932 0.05 . 743 91 112 TRP HA H 4.438 0.05 . 744 91 112 TRP HB2 H 2.772 0.05 . 745 91 112 TRP HB3 H 2.523 0.05 . 746 91 112 TRP HE1 H 10.053 0.05 . 747 91 112 TRP C C 173.149 0.1 . 748 91 112 TRP CA C 59.155 0.1 . 749 91 112 TRP CB C 30.447 0.1 . 750 91 112 TRP N N 120.559 0.05 . 751 91 112 TRP NE1 N 129.285 0.05 . 752 92 113 GLU H H 7.874 0.05 . 753 92 113 GLU HA H 5.133 0.05 . 754 92 113 GLU HB2 H 2.075 0.05 . 755 92 113 GLU HB3 H 1.702 0.05 . 756 92 113 GLU HG2 H 2.170 0.000 . 757 92 113 GLU C C 174.568 0.1 . 758 92 113 GLU CA C 54.789 0.1 . 759 92 113 GLU CB C 34.316 0.1 . 760 92 113 GLU N N 120.373 0.05 . 761 93 114 TYR H H 9.591 0.05 . 762 93 114 TYR HA H 5.047 0.05 . 763 93 114 TYR HB2 H 3.368 0.05 . 764 93 114 TYR HB3 H 2.645 0.05 . 765 93 114 TYR HD1 H 7.124 0.05 . 766 93 114 TYR C C 174.611 0.1 . 767 93 114 TYR CA C 56.120 0.1 . 768 93 114 TYR CB C 44.550 0.1 . 769 93 114 TYR N N 122.594 0.05 . 770 94 115 GLY H H 8.982 0.05 . 771 94 115 GLY HA2 H 4.823 0.05 . 772 94 115 GLY HA3 H 3.843 0.05 . 773 94 115 GLY C C 174.519 0.1 . 774 94 115 GLY CA C 44.916 0.1 . 775 94 115 GLY N N 108.201 0.05 . 776 95 116 GLU H H 8.386 0.05 . 777 95 116 GLU HA H 4.671 0.05 . 778 95 116 GLU HB2 H 1.869 0.05 . 779 95 116 GLU HB3 H 1.733 0.05 . 780 95 116 GLU CA C 55.438 0.1 . 781 95 116 GLU CB C 32.661 0.1 . 782 95 116 GLU N N 121.926 0.05 . 783 96 117 PHE H H 9.672 0.05 . 784 96 117 PHE HA H 5.692 0.05 . 785 96 117 PHE HB2 H 3.356 0.000 . 786 96 117 PHE HD1 H 7.340 0.000 . 787 96 117 PHE C C 172.218 0.1 . 788 96 117 PHE CA C 57.159 0.1 . 789 96 117 PHE CB C 41.560 0.1 . 790 96 117 PHE N N 123.557 0.05 . 791 97 118 VAL H H 9.216 0.05 . 792 97 118 VAL HA H 5.023 0.05 . 793 97 118 VAL CA C 59.005 0.1 . 794 97 118 VAL N N 126.506 0.05 . 795 98 119 PRO HA H 4.478 0.05 . 796 98 119 PRO HB2 H 2.179 0.05 . 797 98 119 PRO HB3 H 1.833 0.05 . 798 98 119 PRO HG2 H 2.012 0.000 . 799 98 119 PRO C C 177.376 0.1 . 800 98 119 PRO CA C 62.703 0.1 . 801 98 119 PRO CB C 31.795 0.1 . 802 99 120 THR H H 8.706 0.05 . 803 99 120 THR HA H 4.277 0.05 . 804 99 120 THR HB H 4.152 0.05 . 805 99 120 THR HG2 H 1.191 0.000 . 806 99 120 THR C C 174.732 0.1 . 807 99 120 THR CA C 62.004 0.1 . 808 99 120 THR CB C 70.230 0.1 . 809 99 120 THR N N 117.965 0.05 . 810 100 121 ILE H H 8.338 0.05 . 811 100 121 ILE HA H 4.190 0.05 . 812 100 121 ILE HB H 1.864 0.05 . 813 100 121 ILE HG12 H 1.454 0.05 . 814 100 121 ILE HG13 H 1.220 0.05 . 815 100 121 ILE HG2 H 0.901 0.000 . 816 100 121 ILE C C 176.286 0.1 . 817 100 121 ILE CA C 61.406 0.1 . 818 100 121 ILE CB C 38.594 0.1 . 819 100 121 ILE N N 124.035 0.05 . 820 101 122 GLU H H 8.506 0.05 . 821 101 122 GLU HA H 4.236 0.05 . 822 101 122 GLU HB2 H 2.033 0.05 . 823 101 122 GLU HB3 H 1.924 0.05 . 824 101 122 GLU HG2 H 2.252 0.000 . 825 101 122 GLU C C 176.522 0.1 . 826 101 122 GLU CA C 57.045 0.1 . 827 101 122 GLU CB C 30.158 0.1 . 828 101 122 GLU CG C 36.375 0.1 . 829 101 122 GLU N N 124.890 0.05 . 830 102 123 ASP H H 8.338 0.05 . 831 102 123 ASP HA H 4.532 0.05 . 832 102 123 ASP HB2 H 2.670 0.000 . 833 102 123 ASP C C 176.694 0.1 . 834 102 123 ASP CA C 55.072 0.1 . 835 102 123 ASP CB C 41.188 0.1 . 836 102 123 ASP N N 121.972 0.05 . 837 103 124 LYS H H 8.285 0.05 . 838 103 124 LYS HA H 4.243 0.05 . 839 103 124 LYS HB2 H 1.846 0.000 . 840 103 124 LYS HG2 H 1.434 0.000 . 841 103 124 LYS HD2 H 2.177 0.000 . 842 103 124 LYS HZ H 2.001 0.000 . 843 103 124 LYS C C 177.168 0.1 . 844 103 124 LYS CA C 57.126 0.1 . 845 103 124 LYS CB C 32.694 0.1 . 846 103 124 LYS N N 121.446 0.05 . 847 104 125 LEU H H 8.188 0.05 . 848 104 125 LEU HA H 4.127 0.05 . 849 104 125 LEU HB2 H 1.630 0.000 . 850 104 125 LEU HD1 H 0.883 0.000 . 851 104 125 LEU C C 176.549 0.1 . 852 104 125 LEU CA C 57.159 0.1 . 853 104 125 LEU CB C 41.819 0.1 . 854 104 125 LEU N N 121.940 0.05 . 855 105 126 ARG H H 8.069 0.05 . 856 105 126 ARG HA H 4.072 0.05 . 857 105 126 ARG HB2 H 1.825 0.000 . 858 105 126 ARG HD2 H 3.191 0.000 . 859 105 126 ARG C C 176.746 0.1 . 860 105 126 ARG CA C 56.694 0.1 . 861 105 126 ARG CB C 30.846 0.1 . 862 105 126 ARG CG C 27.142 0.1 . 863 105 126 ARG CD C 43.290 0.1 . 864 105 126 ARG N N 121.068 0.05 . 865 106 127 GLU H H 8.275 0.05 . 866 106 127 GLU HA H 4.252 0.05 . 867 106 127 GLU HB2 H 2.007 0.000 . 868 106 127 GLU HG2 H 2.264 0.000 . 869 106 127 GLU C C 176.768 0.1 . 870 106 127 GLU CA C 57.386 0.1 . 871 106 127 GLU CB C 30.159 0.1 . 872 106 127 GLU CG C 35.944 0.1 . 873 106 127 GLU N N 121.455 0.05 . 874 107 128 VAL H H 8.097 0.05 . 875 107 128 VAL HA H 4.072 0.05 . 876 107 128 VAL HB H 4.265 0.05 . 877 107 128 VAL HG1 H 0.950 0.000 . 878 107 128 VAL C C 176.526 0.1 . 879 107 128 VAL CA C 63.024 0.1 . 880 107 128 VAL CB C 32.638 0.1 . 881 107 128 VAL N N 120.739 0.05 . 882 108 129 MET H H 8.390 0.05 . 883 108 129 MET HA H 313.565 0.05 . 884 108 129 MET HB2 H 2.062 0.000 . 885 108 129 MET HG2 H 2.583 0.000 . 886 108 129 MET C C 176.352 0.1 . 887 108 129 MET CA C 55.989 0.1 . 888 108 129 MET CB C 32.796 0.1 . 889 108 129 MET N N 123.278 0.05 . 890 109 130 ASN H H 8.390 0.05 . 891 109 130 ASN HA H 4.672 0.05 . 892 109 130 ASN HB2 H 2.793 0.000 . 893 109 130 ASN HD21 H 7.672 0.05 . 894 109 130 ASN HD22 H 6.932 0.05 . 895 109 130 ASN C C 175.160 0.1 . 896 109 130 ASN CA C 53.649 0.1 . 897 109 130 ASN CB C 38.973 0.1 . 898 109 130 ASN N N 119.985 0.05 . 899 109 130 ASN ND2 N 113.134 0.05 . 900 110 131 ASP H H 8.331 0.05 . 901 110 131 ASP HA H 4.547 0.05 . 902 110 131 ASP HB2 H 2.680 0.000 . 903 110 131 ASP C C 176.482 0.1 . 904 110 131 ASP CA C 54.857 0.1 . 905 110 131 ASP CB C 40.970 0.1 . 906 110 131 ASP N N 120.835 0.05 . 907 111 132 MET H H 8.232 0.05 . 908 111 132 MET HA H 4.422 0.05 . 909 111 132 MET HB2 H 2.055 0.000 . 910 111 132 MET HG2 H 2.672 0.000 . 911 111 132 MET C C 176.723 0.1 . 912 111 132 MET CA C 56.172 0.1 . 913 111 132 MET CB C 32.371 0.1 . 914 111 132 MET N N 120.242 0.05 . 915 112 133 LYS H H 8.255 0.05 . 916 112 133 LYS HA H 4.320 0.05 . 917 112 133 LYS HB2 H 1.823 0.000 . 918 112 133 LYS HG2 H 1.456 0.000 . 919 112 133 LYS C C 176.747 0.1 . 920 112 133 LYS CA C 56.722 0.1 . 921 112 133 LYS CB C 32.807 0.1 . 922 112 133 LYS CG C 24.963 0.1 . 923 112 133 LYS CD C 29.150 0.1 . 924 112 133 LYS N N 122.060 0.05 . 925 113 134 ILE H H 8.183 0.05 . 926 113 134 ILE HA H 4.254 0.05 . 927 113 134 ILE HB H 1.786 0.05 . 928 113 134 ILE HG12 H 1.213 0.000 . 929 113 134 ILE HG13 H 1.213 0.000 . 930 113 134 ILE HG2 H 0.873 0.000 . 931 113 134 ILE C C 176.662 0.1 . 932 113 134 ILE CA C 61.421 0.1 . 933 113 134 ILE CB C 38.416 0.1 . 934 113 134 ILE N N 121.862 0.05 . 935 114 135 THR H H 8.229 0.05 . 936 114 135 THR HA H 4.346 0.05 . 937 114 135 THR HB H 4.238 0.05 . 938 114 135 THR HG2 H 1.201 0.000 . 939 114 135 THR C C 175.120 0.1 . 940 114 135 THR CA C 62.320 0.1 . 941 114 135 THR CB C 70.089 0.1 . 942 114 135 THR CG2 C 21.616 0.1 . 943 114 135 THR N N 117.705 0.05 . 944 115 136 GLY H H 8.369 0.05 . 945 115 136 GLY HA2 H 4.344 0.05 . 946 115 136 GLY HA3 H 3.980 0.000 . 947 115 136 GLY C C 173.722 0.1 . 948 115 136 GLY CA C 45.431 0.1 . 949 115 136 GLY N N 111.439 0.05 . 950 116 137 LYS H H 8.160 0.05 . 951 116 137 LYS HA H 4.344 0.05 . 952 116 137 LYS HB2 H 1.764 0.000 . 953 116 137 LYS C C 175.837 0.1 . 954 116 137 LYS CA C 56.588 0.1 . 955 116 137 LYS CB C 33.234 0.1 . 956 116 137 LYS CG C 24.718 0.1 . 957 116 137 LYS CD C 28.977 0.1 . 958 116 137 LYS CE C 42.287 0.1 . 959 116 137 LYS N N 121.624 0.05 . 960 117 138 ARG H H 8.084 0.05 . 961 117 138 ARG HA H 4.163 0.05 . 962 117 138 ARG HB2 H 1.727 0.000 . 963 117 138 ARG HD2 H 3.187 0.000 . 964 117 138 ARG CA C 57.638 0.1 . 965 117 138 ARG CB C 31.550 0.1 . 966 117 138 ARG N N 128.256 0.05 . stop_ save_ ######################## # Coupling constants # ######################## save_J_coupling_list_1 _Saveframe_category coupling_constants _Details . loop_ _Experiment_label '3D HNHA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name monomer _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 23 ALA H 23 ALA HA 6.52 . . 1.00 2 3JHNHA 27 ILE H 27 ILE HA 6.62 . . 1.00 3 3JHNHA 28 CYS H 28 CYS HA 8.86 . . 1.00 4 3JHNHA 29 TRP H 29 TRP HA 9.23 . . 1.00 5 3JHNHA 30 CYS H 30 CYS HA 8.23 . . 1.00 6 3JHNHA 31 PHE H 31 PHE HA 6.34 . . 1.00 7 3JHNHA 32 THR H 32 THR HA 8.49 . . 1.00 8 3JHNHA 33 LEU H 33 LEU HA 8.41 . . 1.00 9 3JHNHA 37 LEU H 37 LEU HA 8.65 . . 1.00 10 3JHNHA 38 SER H 38 SER HA 7.00 . . 1.00 11 3JHNHA 40 LEU H 40 LEU HA 7.87 . . 1.00 12 3JHNHA 41 SER H 41 SER HA 8.53 . . 1.00 13 3JHNHA 44 ASP H 44 ASP HA 4.09 . . 1.00 14 3JHNHA 45 SER H 45 SER HA 6.95 . . 1.00 15 3JHNHA 47 LYS H 47 LYS HA 8.68 . . 1.00 16 3JHNHA 49 LEU H 49 LEU HA 8.91 . . 1.00 17 3JHNHA 52 GLN H 52 GLN HA 7.08 . . 1.00 18 3JHNHA 54 GLU H 54 GLU HA 8.90 . . 1.00 19 3JHNHA 55 GLN H 55 GLN HA 7.42 . . 1.00 20 3JHNHA 56 GLY H 56 GLY HA 8.17 . . 1.00 21 3JHNHA 57 GLU H 57 GLU HA 5.32 . . 1.00 22 3JHNHA 58 ALA H 58 ALA HA 7.48 . . 1.00 23 3JHNHA 59 GLY H 59 GLY HA 5.36 . . 1.00 24 3JHNHA 59 GLY H 59 GLY HA 4.69 . . 1.00 25 3JHNHA 64 GLN H 64 GLN HA 8.17 . . 1.00 26 3JHNHA 65 GLY H 65 GLY HA 7.13 . . 1.00 27 3JHNHA 69 MET H 69 MET HA 8.06 . . 1.00 28 3JHNHA 71 LYS H 71 LYS HA 8.83 . . 1.00 29 3JHNHA 74 SER H 74 SER HA 4.67 . . 1.00 30 3JHNHA 76 ALA H 76 ALA HA 4.48 . . 1.00 31 3JHNHA 77 GLY H 77 GLY HA 3.99 . . 1.00 32 3JHNHA 77 GLY H 77 GLY HA 4.29 . . 1.00 33 3JHNHA 78 MET H 78 MET HA 5.16 . . 1.00 34 3JHNHA 81 LEU H 81 LEU HA 6.88 . . 1.00 35 3JHNHA 82 ILE H 82 ILE HA 8.58 . . 1.00 36 3JHNHA 85 ALA H 85 ALA HA 5.19 . . 1.00 37 3JHNHA 86 HIS H 86 HIS HA 8.82 . . 1.00 38 3JHNHA 88 GLU H 88 GLU HA 8.01 . . 1.00 39 3JHNHA 92 GLY H 92 GLY HA 6.49 . . 1.00 40 3JHNHA 93 THR H 93 THR HA 6.19 . . 1.00 41 3JHNHA 95 GLY H 95 GLY HA 4.77 . . 1.00 42 3JHNHA 96 GLU H 96 GLU HA 4.36 . . 1.00 43 3JHNHA 97 ALA H 97 ALA HA 5.44 . . 1.00 44 3JHNHA 98 ARG H 98 ARG HA 3.96 . . 1.00 45 3JHNHA 100 TYR H 100 TYR HA 4.64 . . 1.00 46 3JHNHA 101 SER H 101 SER HA 8.00 . . 1.00 47 3JHNHA 106 THR H 106 THR HA 6.86 . . 1.00 48 3JHNHA 109 GLU H 109 GLU HA 6.01 . . 1.00 49 3JHNHA 110 GLY H 110 GLY HA 5.99 . . 1.00 50 3JHNHA 110 GLY H 110 GLY HA 4.23 . . 1.00 51 3JHNHA 112 TRP H 112 TRP HA 9.41 . . 1.00 52 3JHNHA 113 GLU H 113 GLU HA 8.51 . . 1.00 53 3JHNHA 114 TYR H 114 TYR HA 9.30 . . 1.00 54 3JHNHA 115 GLY H 115 GLY HA 4.54 . . 1.00 55 3JHNHA 115 GLY H 115 GLY HA 5.04 . . 1.00 56 3JHNHA 116 GLU H 116 GLU HA 8.35 . . 1.00 57 3JHNHA 117 PHE H 117 PHE HA 9.56 . . 1.00 58 3JHNHA 118 VAL H 118 VAL HA 7.36 . . 1.00 59 3JHNHA 120 THR H 120 THR HA 6.07 . . 1.00 60 3JHNHA 121 ILE H 121 ILE HA 7.67 . . 1.00 61 3JHNHA 122 GLU H 122 GLU HA 5.85 . . 1.00 62 3JHNHA 123 ASP H 123 ASP HA 5.18 . . 1.00 63 3JHNHA 124 LYS H 124 LYS HA 6.10 . . 1.00 64 3JHNHA 125 LEU H 125 LEU HA 4.85 . . 1.00 65 3JHNHA 126 ARG H 126 ARG HA 5.70 . . 1.00 66 3JHNHA 128 VAL H 128 VAL HA 7.60 . . 1.00 67 3JHNHA 129 MET H 129 MET HA 6.83 . . 1.00 68 3JHNHA 130 ASN H 130 ASN HA 6.63 . . 1.00 69 3JHNHA 131 ASP H 131 ASP HA 7.57 . . 1.00 70 3JHNHA 133 LYS H 133 LYS HA 5.76 . . 1.00 71 3JHNHA 134 ILE H 134 ILE HA 6.60 . . 1.00 72 3JHNHA 135 THR H 135 THR HA 8.40 . . 1.00 73 3JHNHA 136 GLY H 136 GLY HA 7.54 . . 1.00 74 3JHNHA 138 ARG H 138 ARG HA 7.93 . . 1.00 stop_ save_