data_17451 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Central domain of RSV M2-1 ; _BMRB_accession_number 17451 _BMRB_flat_file_name bmr17451.str _Entry_type original _Submission_date 2011-02-09 _Accession_date 2011-02-09 _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 Dubosclard Virginie . . 2 Blondot Marie-Lise . . 3 Eleouet Jean-Francois . . 4 Bontems Francois . . 5 Sizun Christina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 residual_dipolar_couplings 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 731 "13C chemical shifts" 533 "15N chemical shifts" 129 "residual dipolar couplings" 100 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-09 update BMRB 'update entry citation' 2011-05-03 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C, and 15N resonance assignment of the central domain of hRSV transcription antitermination factor M2-1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21523439 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dubosclard Virginie . . 2 Blondot Marie-Lise . . 3 Eleouet Jean-Francois . . 4 Bontems Francois . . 5 Sizun Christina . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 5 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 237 _Page_last 239 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name M2-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label M2-1 $M2-1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_M2-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common M2-1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; GSEISGAAELDRTEEYALGV VGVLESYIGSINNITKQSAC VAMSKLLTELNSDDIKKLRD NEEPNSPKIRVYNTVISYIE SNRKNNKQTIHLLKRLPADV LKKTIKNTLDIHKSITINNP K ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . GLY 2 . SER 3 59 GLU 4 60 ILE 5 61 SER 6 62 GLY 7 63 ALA 8 64 ALA 9 65 GLU 10 66 LEU 11 67 ASP 12 68 ARG 13 69 THR 14 70 GLU 15 71 GLU 16 72 TYR 17 73 ALA 18 74 LEU 19 75 GLY 20 76 VAL 21 77 VAL 22 78 GLY 23 79 VAL 24 80 LEU 25 81 GLU 26 82 SER 27 83 TYR 28 84 ILE 29 85 GLY 30 86 SER 31 87 ILE 32 88 ASN 33 89 ASN 34 90 ILE 35 91 THR 36 92 LYS 37 93 GLN 38 94 SER 39 95 ALA 40 96 CYS 41 97 VAL 42 98 ALA 43 99 MET 44 100 SER 45 101 LYS 46 102 LEU 47 103 LEU 48 104 THR 49 105 GLU 50 106 LEU 51 107 ASN 52 108 SER 53 109 ASP 54 110 ASP 55 111 ILE 56 112 LYS 57 113 LYS 58 114 LEU 59 115 ARG 60 116 ASP 61 117 ASN 62 118 GLU 63 119 GLU 64 120 PRO 65 121 ASN 66 122 SER 67 123 PRO 68 124 LYS 69 125 ILE 70 126 ARG 71 127 VAL 72 128 TYR 73 129 ASN 74 130 THR 75 131 VAL 76 132 ILE 77 133 SER 78 134 TYR 79 135 ILE 80 136 GLU 81 137 SER 82 138 ASN 83 139 ARG 84 140 LYS 85 141 ASN 86 142 ASN 87 143 LYS 88 144 GLN 89 145 THR 90 146 ILE 91 147 HIS 92 148 LEU 93 149 LEU 94 150 LYS 95 151 ARG 96 152 LEU 97 153 PRO 98 154 ALA 99 155 ASP 100 156 VAL 101 157 LEU 102 158 LYS 103 159 LYS 104 160 THR 105 161 ILE 106 162 LYS 107 163 ASN 108 164 THR 109 165 LEU 110 166 ASP 111 167 ILE 112 168 HIS 113 169 LYS 114 170 SER 115 171 ILE 116 172 THR 117 173 ILE 118 174 ASN 119 175 ASN 120 176 PRO 121 177 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2L9J "Hrsv M2-1 Core Domain Structure" 100.00 121 100.00 100.00 2.82e-79 PDB 4C3B "Hrsv M2-1, P21 Crystal Form" 99.17 199 99.17 99.17 2.01e-75 PDB 4C3D "Hrsv M2-1, P422 Crystal Form" 99.17 199 99.17 99.17 2.01e-75 PDB 4C3E "Hrsv M2-1 Mutant S58d S61d, P21 Crystal" 98.35 199 98.32 98.32 4.72e-74 DBJ BAA00106 "22K protein [Human respiratory syncytial virus]" 99.17 194 99.17 99.17 2.43e-76 GB AAB59860 "envelope-associated protein [Human respiratory syncytial virus]" 99.17 194 99.17 99.17 1.02e-75 GB AAB86665 "matrix protein M2 [Human respiratory syncytial virus]" 99.17 194 99.17 99.17 1.02e-75 GB AAB86677 "matrix protein M2 [Human respiratory syncytial virus]" 99.17 194 99.17 99.17 1.02e-75 GB AAC14903 "matrix protein M2 [Human respiratory syncytial virus]" 99.17 194 99.17 99.17 1.02e-75 GB AAC55971 "matrix protein M2 [Human respiratory syncytial virus]" 99.17 194 99.17 99.17 1.02e-75 REF NP_044597 "matrix (M2/22K) [Respiratory syncytial virus]" 99.17 194 99.17 99.17 2.43e-76 SP P04545 "RecName: Full=Matrix M2-1; AltName: Full=Envelope-associated 22 kDa protein" 99.17 194 99.17 99.17 1.02e-75 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _ICTVdb_decimal_code _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $M2-1 'Human syncytial respiratory virus' 01.048.2.01.001. 11245 virus . Pneumovirus 'Human respiratory syncytial 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_name $M2-1 'recombinant technology' . Escherichia coli . pGEX stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_M21-15N13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $M2-1 0.13 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_M21-13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $M2-1 0.1 mM '[U-100% 13C]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_M21-15N-c12e5 _Saveframe_category sample _Sample_type 'liquid crystal' _Details c12e5/hexanol loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $M2-1 0.2 mM '[U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' c12e5 0.055 v/v 'natural abundance' Hexanol 0.017 v/v 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_M21-15N-gel _Saveframe_category sample _Sample_type 'gel solution' _Details 'polyacrylamide gel' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $M2-1 0.12 mM '[U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' acrylamide/bisacryamide 6 % 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_M21-15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $M2-1 0.12 mM '[U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $M21-15N13C save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $M21-15N13C save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $M21-15N13C save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $M21-15N13C save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $M21-15N13C save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $M21-15N13C save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $M21-15N save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $M21-13C save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $M21-13C save_ save_3D_HCCH-TOCSY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY aromatic' _Sample_label $M21-13C save_ save_3D_CCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $M21-13C save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $M21-13C save_ save_2D_HBCBCGCDHD_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HBCBCGCDHD' _Sample_label $M21-13C save_ save_2D_1H-15N_IPAP_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N IPAP HSQC' _Sample_label $M21-15N-c12e5 save_ save_2D_1H-15N_IPAP_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N IPAP HSQC' _Sample_label $M21-15N-gel save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TSP C 13 'methyl carbons' ppm 0 internal direct . . . 1.00 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1.00 TSP N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D 1H-15N NOESY' '2D 1H-13C HSQC' '3D HCCH-TOCSY' '3D HCCH-TOCSY aromatic' '3D CCH-TOCSY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $M21-15N13C $M21-15N $M21-13C stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name M2-1 _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 59 3 GLU H H 8.73 0.02 1 2 59 3 GLU HA H 4.27 0.02 1 3 59 3 GLU HB2 H 2.01 0.02 2 4 59 3 GLU HB3 H 1.90 0.02 2 5 59 3 GLU HG2 H 2.25 0.02 2 6 59 3 GLU HG3 H 2.20 0.02 2 7 59 3 GLU C C 176.30 0.25 1 8 59 3 GLU CA C 56.50 0.25 1 9 59 3 GLU CB C 29.45 0.25 1 10 59 3 GLU CG C 35.77 0.25 1 11 59 3 GLU N N 123.20 0.15 1 12 60 4 ILE H H 8.18 0.02 1 13 60 4 ILE HA H 4.17 0.02 1 14 60 4 ILE HB H 1.84 0.02 1 15 60 4 ILE HG12 H 1.43 0.02 2 16 60 4 ILE HG13 H 1.15 0.02 2 17 60 4 ILE HG2 H 0.86 0.02 1 18 60 4 ILE HD1 H 0.81 0.02 1 19 60 4 ILE C C 176.10 0.25 1 20 60 4 ILE CA C 60.66 0.25 1 21 60 4 ILE CB C 38.26 0.25 1 22 60 4 ILE CG1 C 26.90 0.25 1 23 60 4 ILE CG2 C 17.14 0.25 1 24 60 4 ILE CD1 C 12.56 0.25 1 25 60 4 ILE N N 121.60 0.15 1 26 61 5 SER H H 8.34 0.02 1 27 61 5 SER HA H 4.42 0.02 1 28 61 5 SER HB2 H 3.83 0.02 2 29 61 5 SER HB3 H 3.83 0.02 2 30 61 5 SER C C 174.80 0.25 1 31 61 5 SER CA C 57.96 0.25 1 32 61 5 SER CB C 63.32 0.25 1 33 61 5 SER N N 120.10 0.15 1 34 62 6 GLY H H 8.41 0.02 1 35 62 6 GLY HA2 H 3.93 0.02 2 36 62 6 GLY HA3 H 3.92 0.02 2 37 62 6 GLY C C 173.70 0.25 1 38 62 6 GLY CA C 44.91 0.25 1 39 62 6 GLY N N 111.50 0.15 1 40 63 7 ALA H H 8.08 0.02 1 41 63 7 ALA HA H 4.25 0.02 1 42 63 7 ALA HB H 1.33 0.02 1 43 63 7 ALA C C 177.40 0.25 1 44 63 7 ALA CA C 52.25 0.25 1 45 63 7 ALA CB C 18.84 0.25 1 46 63 7 ALA N N 123.80 0.15 1 47 64 8 ALA H H 8.25 0.02 1 48 64 8 ALA HA H 4.24 0.02 1 49 64 8 ALA HB H 1.33 0.02 1 50 64 8 ALA C C 177.60 0.25 1 51 64 8 ALA CA C 52.16 0.25 1 52 64 8 ALA CB C 18.81 0.25 1 53 64 8 ALA N N 123.20 0.15 1 54 65 9 GLU H H 8.26 0.02 1 55 65 9 GLU HA H 4.20 0.02 1 56 65 9 GLU HB2 H 2.00 0.02 2 57 65 9 GLU HB3 H 1.88 0.02 2 58 65 9 GLU HG2 H 2.21 0.02 2 59 65 9 GLU HG3 H 2.19 0.02 2 60 65 9 GLU C C 176.40 0.25 1 61 65 9 GLU CA C 56.26 0.25 1 62 65 9 GLU CB C 29.60 0.25 1 63 65 9 GLU CG C 35.94 0.25 1 64 65 9 GLU N N 119.60 0.15 1 65 66 10 LEU H H 8.11 0.02 1 66 66 10 LEU HA H 4.24 0.02 1 67 66 10 LEU HB2 H 1.58 0.02 2 68 66 10 LEU HB3 H 1.52 0.02 2 69 66 10 LEU HG H 1.57 0.02 1 70 66 10 LEU HD1 H 0.84 0.02 2 71 66 10 LEU HD2 H 0.80 0.02 2 72 66 10 LEU C C 176.80 0.25 1 73 66 10 LEU CA C 54.89 0.25 1 74 66 10 LEU CB C 42.02 0.25 1 75 66 10 LEU CG C 26.65 0.25 1 76 66 10 LEU CD1 C 24.51 0.25 2 77 66 10 LEU CD2 C 23.16 0.25 2 78 66 10 LEU N N 122.50 0.15 1 79 67 11 ASP H H 8.27 0.02 1 80 67 11 ASP HA H 4.50 0.02 1 81 67 11 ASP HB2 H 2.64 0.02 2 82 67 11 ASP HB3 H 2.58 0.02 2 83 67 11 ASP C C 176.10 0.25 1 84 67 11 ASP CA C 54.03 0.25 1 85 67 11 ASP CB C 40.77 0.25 1 86 67 11 ASP N N 121.00 0.15 1 87 68 12 ARG H H 8.19 0.02 1 88 68 12 ARG HA H 4.35 0.02 1 89 68 12 ARG HB2 H 1.84 0.02 2 90 68 12 ARG HB3 H 1.68 0.02 2 91 68 12 ARG HG2 H 1.58 0.02 2 92 68 12 ARG HG3 H 1.52 0.02 2 93 68 12 ARG HD2 H 3.11 0.02 2 94 68 12 ARG HD3 H 3.11 0.02 2 95 68 12 ARG C C 176.40 0.25 1 96 68 12 ARG CA C 55.68 0.25 1 97 68 12 ARG CB C 30.14 0.25 1 98 68 12 ARG CG C 26.72 0.25 1 99 68 12 ARG CD C 42.87 0.25 1 100 68 12 ARG N N 121.80 0.15 1 101 69 13 THR H H 8.20 0.02 1 102 69 13 THR HA H 4.15 0.02 1 103 69 13 THR HB H 4.19 0.02 1 104 69 13 THR HG2 H 1.17 0.02 1 105 69 13 THR C C 175.10 0.25 1 106 69 13 THR CA C 62.81 0.25 1 107 69 13 THR CB C 69.17 0.25 1 108 69 13 THR CG2 C 21.37 0.25 1 109 69 13 THR N N 115.40 0.15 1 110 70 14 GLU H H 8.51 0.02 1 111 70 14 GLU HA H 4.16 0.02 1 112 70 14 GLU HB2 H 1.94 0.02 2 113 70 14 GLU HB3 H 1.88 0.02 2 114 70 14 GLU HG2 H 2.21 0.02 2 115 70 14 GLU HG3 H 2.19 0.02 2 116 70 14 GLU C C 176.80 0.25 1 117 70 14 GLU CA C 57.22 0.25 1 118 70 14 GLU CB C 29.64 0.25 1 119 70 14 GLU CG C 36.11 0.25 1 120 70 14 GLU N N 122.60 0.15 1 121 71 15 GLU H H 8.28 0.02 1 122 71 15 GLU HA H 3.96 0.02 1 123 71 15 GLU HB2 H 1.87 0.02 2 124 71 15 GLU HB3 H 1.87 0.02 2 125 71 15 GLU HG2 H 2.10 0.02 2 126 71 15 GLU HG3 H 2.05 0.02 2 127 71 15 GLU C C 177.10 0.25 1 128 71 15 GLU CA C 57.37 0.25 1 129 71 15 GLU CB C 29.48 0.25 1 130 71 15 GLU CG C 36.05 0.25 1 131 71 15 GLU N N 120.80 0.15 1 132 72 16 TYR H H 8.00 0.02 1 133 72 16 TYR HA H 4.35 0.02 1 134 72 16 TYR HB2 H 3.01 0.02 2 135 72 16 TYR HB3 H 2.94 0.02 2 136 72 16 TYR HD1 H 7.05 0.02 3 137 72 16 TYR HD2 H 7.05 0.02 3 138 72 16 TYR HE1 H 6.75 0.02 3 139 72 16 TYR HE2 H 6.75 0.02 3 140 72 16 TYR C C 176.30 0.25 1 141 72 16 TYR CA C 58.26 0.25 1 142 72 16 TYR CB C 37.88 0.25 1 143 72 16 TYR CD1 C 133.00 0.25 3 144 72 16 TYR CD2 C 133.00 0.25 3 145 72 16 TYR CE1 C 117.90 0.25 3 146 72 16 TYR CE2 C 117.90 0.25 3 147 72 16 TYR N N 119.80 0.15 1 148 73 17 ALA H H 8.03 0.02 1 149 73 17 ALA HA H 4.13 0.02 1 150 73 17 ALA HB H 1.34 0.02 1 151 73 17 ALA C C 178.00 0.25 1 152 73 17 ALA CA C 53.03 0.25 1 153 73 17 ALA CB C 18.31 0.25 1 154 73 17 ALA N N 123.90 0.15 1 155 74 18 LEU H H 7.82 0.02 1 156 74 18 LEU HA H 4.23 0.02 1 157 74 18 LEU HB2 H 1.37 0.02 2 158 74 18 LEU HB3 H 1.70 0.02 2 159 74 18 LEU HG H 1.62 0.02 1 160 74 18 LEU HD1 H 0.78 0.02 2 161 74 18 LEU HD2 H 0.75 0.02 2 162 74 18 LEU C C 178.30 0.25 1 163 74 18 LEU CA C 55.19 0.25 1 164 74 18 LEU CB C 43.30 0.25 1 165 74 18 LEU CG C 26.59 0.25 1 166 74 18 LEU CD1 C 25.14 0.25 2 167 74 18 LEU CD2 C 22.63 0.25 2 168 74 18 LEU N N 118.40 0.15 1 169 75 19 GLY H H 7.90 0.02 1 170 75 19 GLY HA2 H 3.94 0.02 2 171 75 19 GLY HA3 H 4.05 0.02 2 172 75 19 GLY C C 173.10 0.25 1 173 75 19 GLY CA C 44.08 0.25 1 174 75 19 GLY N N 107.90 0.15 1 175 76 20 VAL H H 8.12 0.02 1 176 76 20 VAL HA H 3.50 0.02 1 177 76 20 VAL HB H 1.95 0.02 1 178 76 20 VAL HG1 H 0.84 0.02 2 179 76 20 VAL HG2 H 0.95 0.02 2 180 76 20 VAL C C 177.10 0.25 1 181 76 20 VAL CA C 66.48 0.25 1 182 76 20 VAL CB C 31.92 0.25 1 183 76 20 VAL CG1 C 22.03 0.25 2 184 76 20 VAL CG2 C 22.55 0.25 2 185 76 20 VAL N N 119.50 0.15 1 186 77 21 VAL H H 8.12 0.02 1 187 77 21 VAL HA H 3.38 0.02 1 188 77 21 VAL HB H 1.94 0.02 1 189 77 21 VAL HG1 H 0.85 0.02 2 190 77 21 VAL HG2 H 0.85 0.02 2 191 77 21 VAL C C 177.50 0.25 1 192 77 21 VAL CA C 66.81 0.25 1 193 77 21 VAL CB C 31.06 0.25 1 194 77 21 VAL CG1 C 22.97 0.25 2 195 77 21 VAL CG2 C 21.02 0.25 2 196 77 21 VAL N N 118.10 0.15 1 197 78 22 GLY H H 7.66 0.02 1 198 78 22 GLY HA2 H 3.91 0.02 2 199 78 22 GLY HA3 H 3.76 0.02 2 200 78 22 GLY C C 177.50 0.25 1 201 78 22 GLY CA C 46.89 0.25 1 202 78 22 GLY N N 106.90 0.15 1 203 79 23 VAL H H 8.22 0.02 1 204 79 23 VAL HA H 3.43 0.02 1 205 79 23 VAL HB H 2.07 0.02 1 206 79 23 VAL HG1 H 0.69 0.02 2 207 79 23 VAL HG2 H 0.95 0.02 2 208 79 23 VAL C C 177.20 0.25 1 209 79 23 VAL CA C 67.02 0.25 1 210 79 23 VAL CB C 31.52 0.25 1 211 79 23 VAL CG1 C 21.43 0.25 2 212 79 23 VAL CG2 C 23.45 0.25 2 213 79 23 VAL N N 125.10 0.15 1 214 80 24 LEU H H 7.52 0.02 1 215 80 24 LEU HA H 3.97 0.02 1 216 80 24 LEU HB2 H 2.07 0.02 2 217 80 24 LEU HB3 H 1.31 0.02 2 218 80 24 LEU HG H 1.89 0.02 1 219 80 24 LEU HD1 H 0.67 0.02 2 220 80 24 LEU HD2 H 0.86 0.02 2 221 80 24 LEU C C 178.80 0.25 1 222 80 24 LEU CA C 58.12 0.25 1 223 80 24 LEU CB C 40.88 0.25 1 224 80 24 LEU CG C 25.74 0.25 1 225 80 24 LEU CD1 C 26.81 0.25 2 226 80 24 LEU CD2 C 22.92 0.25 2 227 80 24 LEU N N 119.60 0.15 1 228 81 25 GLU H H 9.13 0.02 1 229 81 25 GLU HA H 3.78 0.02 1 230 81 25 GLU HB2 H 2.07 0.02 2 231 81 25 GLU HB3 H 1.86 0.02 2 232 81 25 GLU HG2 H 2.51 0.02 2 233 81 25 GLU HG3 H 2.06 0.02 2 234 81 25 GLU C C 180.60 0.25 1 235 81 25 GLU CA C 59.35 0.25 1 236 81 25 GLU CB C 29.47 0.25 1 237 81 25 GLU CG C 37.40 0.25 1 238 81 25 GLU N N 118.00 0.15 1 239 82 26 SER H H 8.18 0.02 1 240 82 26 SER HA H 4.14 0.02 1 241 82 26 SER HB2 H 4.18 0.02 2 242 82 26 SER HB3 H 4.03 0.02 2 243 82 26 SER C C 175.30 0.25 1 244 82 26 SER CA C 62.19 0.25 1 245 82 26 SER CB C 62.47 0.25 1 246 82 26 SER N N 117.00 0.15 1 247 83 27 TYR H H 8.40 0.02 1 248 83 27 TYR HA H 4.33 0.02 1 249 83 27 TYR HB2 H 3.03 0.02 2 250 83 27 TYR HB3 H 2.95 0.02 2 251 83 27 TYR HD1 H 6.77 0.02 3 252 83 27 TYR HD2 H 6.77 0.02 3 253 83 27 TYR HE1 H 6.46 0.02 3 254 83 27 TYR HE2 H 6.46 0.02 3 255 83 27 TYR C C 179.20 0.25 1 256 83 27 TYR CA C 61.35 0.25 1 257 83 27 TYR CB C 38.41 0.25 1 258 83 27 TYR CD1 C 132.80 0.25 3 259 83 27 TYR CD2 C 132.80 0.25 3 260 83 27 TYR CE1 C 117.90 0.25 3 261 83 27 TYR CE2 C 117.90 0.25 3 262 83 27 TYR N N 122.50 0.15 1 263 84 28 ILE H H 8.04 0.02 1 264 84 28 ILE HA H 3.63 0.02 1 265 84 28 ILE HB H 2.03 0.02 1 266 84 28 ILE HG12 H 1.49 0.02 2 267 84 28 ILE HG13 H 1.49 0.02 2 268 84 28 ILE HG2 H 1.04 0.02 1 269 84 28 ILE HD1 H 0.81 0.02 1 270 84 28 ILE C C 177.20 0.25 1 271 84 28 ILE CA C 64.58 0.25 1 272 84 28 ILE CB C 36.86 0.25 1 273 84 28 ILE CG1 C 26.44 0.25 1 274 84 28 ILE CG2 C 18.71 0.25 1 275 84 28 ILE CD1 C 13.86 0.25 1 276 84 28 ILE N N 112.90 0.15 1 277 85 29 GLY H H 7.66 0.02 1 278 85 29 GLY HA2 H 4.24 0.02 2 279 85 29 GLY HA3 H 3.52 0.02 2 280 85 29 GLY C C 172.80 0.25 1 281 85 29 GLY CA C 44.40 0.25 1 282 85 29 GLY N N 108.30 0.15 1 283 86 30 SER H H 7.60 0.02 1 284 86 30 SER HA H 4.16 0.02 1 285 86 30 SER HB2 H 4.01 0.02 2 286 86 30 SER HB3 H 3.92 0.02 2 287 86 30 SER C C 173.80 0.25 1 288 86 30 SER CA C 58.06 0.25 1 289 86 30 SER CB C 61.61 0.25 1 290 86 30 SER N N 113.50 0.15 1 291 87 31 ILE H H 8.16 0.02 1 292 87 31 ILE HA H 4.60 0.02 1 293 87 31 ILE HB H 1.75 0.02 1 294 87 31 ILE HG12 H 1.28 0.02 2 295 87 31 ILE HG13 H 0.99 0.02 2 296 87 31 ILE HG2 H 0.84 0.02 1 297 87 31 ILE HD1 H 0.79 0.02 1 298 87 31 ILE C C 176.10 0.25 1 299 87 31 ILE CA C 59.88 0.25 1 300 87 31 ILE CB C 41.21 0.25 1 301 87 31 ILE CG1 C 26.49 0.25 1 302 87 31 ILE CG2 C 17.22 0.25 1 303 87 31 ILE CD1 C 12.92 0.25 1 304 87 31 ILE N N 114.60 0.15 1 305 88 32 ASN H H 8.70 0.02 1 306 88 32 ASN HA H 4.33 0.02 1 307 88 32 ASN HB2 H 2.94 0.02 2 308 88 32 ASN HB3 H 2.80 0.02 2 309 88 32 ASN HD21 H 7.48 0.02 2 310 88 32 ASN HD22 H 7.04 0.02 2 311 88 32 ASN C C 173.20 0.25 1 312 88 32 ASN CA C 54.38 0.25 1 313 88 32 ASN CB C 37.34 0.25 1 314 88 32 ASN N N 114.40 0.15 1 315 88 32 ASN ND2 N 114.90 0.15 1 316 89 33 ASN H H 8.56 0.02 1 317 89 33 ASN HA H 4.28 0.02 1 318 89 33 ASN HB2 H 2.87 0.02 2 319 89 33 ASN HB3 H 2.70 0.02 2 320 89 33 ASN HD21 H 7.57 0.02 2 321 89 33 ASN HD22 H 6.83 0.02 2 322 89 33 ASN C C 174.00 0.25 1 323 89 33 ASN CA C 53.55 0.25 1 324 89 33 ASN CB C 37.20 0.25 1 325 89 33 ASN N N 114.40 0.15 1 326 89 33 ASN ND2 N 113.40 0.15 1 327 90 34 ILE H H 7.94 0.02 1 328 90 34 ILE HA H 4.25 0.02 1 329 90 34 ILE HB H 2.09 0.02 1 330 90 34 ILE HG12 H 1.68 0.02 2 331 90 34 ILE HG13 H 1.54 0.02 2 332 90 34 ILE HG2 H 1.02 0.02 1 333 90 34 ILE HD1 H 0.72 0.02 1 334 90 34 ILE C C 177.00 0.25 1 335 90 34 ILE CA C 58.14 0.25 1 336 90 34 ILE CB C 36.24 0.25 1 337 90 34 ILE CG1 C 26.25 0.25 1 338 90 34 ILE CG2 C 17.95 0.25 1 339 90 34 ILE CD1 C 8.73 0.25 1 340 90 34 ILE N N 119.90 0.15 1 341 91 35 THR H H 8.42 0.02 1 342 91 35 THR HA H 4.39 0.02 1 343 91 35 THR HB H 4.70 0.02 1 344 91 35 THR HG2 H 1.37 0.02 1 345 91 35 THR C C 174.50 0.25 1 346 91 35 THR CA C 60.38 0.25 1 347 91 35 THR CB C 70.88 0.25 1 348 91 35 THR CG2 C 21.59 0.25 1 349 91 35 THR N N 118.20 0.15 1 350 92 36 LYS H H 8.78 0.02 1 351 92 36 LYS HA H 3.37 0.02 1 352 92 36 LYS HB2 H 2.01 0.02 2 353 92 36 LYS HB3 H 1.81 0.02 2 354 92 36 LYS HG2 H 1.34 0.02 2 355 92 36 LYS HG3 H 1.09 0.02 2 356 92 36 LYS HD2 H 1.74 0.02 2 357 92 36 LYS HD3 H 1.74 0.02 2 358 92 36 LYS HE2 H 2.89 0.02 2 359 92 36 LYS HE3 H 2.72 0.02 2 360 92 36 LYS C C 178.80 0.25 1 361 92 36 LYS CA C 59.87 0.25 1 362 92 36 LYS CB C 33.08 0.25 1 363 92 36 LYS CG C 25.20 0.25 1 364 92 36 LYS CD C 29.84 0.25 1 365 92 36 LYS CE C 42.18 0.25 1 366 92 36 LYS N N 122.70 0.15 1 367 93 37 GLN H H 8.66 0.02 1 368 93 37 GLN HA H 3.66 0.02 1 369 93 37 GLN HB2 H 2.14 0.02 2 370 93 37 GLN HB3 H 1.85 0.02 2 371 93 37 GLN HG2 H 2.43 0.02 2 372 93 37 GLN HG3 H 2.10 0.02 2 373 93 37 GLN HE21 H 7.19 0.02 2 374 93 37 GLN HE22 H 6.71 0.02 2 375 93 37 GLN C C 177.00 0.25 1 376 93 37 GLN CA C 59.62 0.25 1 377 93 37 GLN CB C 27.46 0.25 1 378 93 37 GLN CG C 32.41 0.25 1 379 93 37 GLN N N 117.50 0.15 1 380 93 37 GLN NE2 N 110.90 0.15 1 381 94 38 SER H H 7.79 0.02 1 382 94 38 SER HA H 4.03 0.02 1 383 94 38 SER HB2 H 3.92 0.02 2 384 94 38 SER HB3 H 3.70 0.02 2 385 94 38 SER C C 177.00 0.25 1 386 94 38 SER CA C 61.86 0.25 1 387 94 38 SER CB C 62.05 0.25 1 388 94 38 SER N N 115.30 0.15 1 389 95 39 ALA H H 7.99 0.02 1 390 95 39 ALA HA H 3.59 0.02 1 391 95 39 ALA HB H 0.56 0.02 1 392 95 39 ALA C C 178.50 0.25 1 393 95 39 ALA CA C 54.66 0.25 1 394 95 39 ALA CB C 16.66 0.25 1 395 95 39 ALA N N 124.20 0.15 1 396 96 40 CYS H H 7.94 0.02 1 397 96 40 CYS HA H 3.76 0.02 1 398 96 40 CYS HB2 H 2.93 0.02 2 399 96 40 CYS HB3 H 2.48 0.02 2 400 96 40 CYS C C 176.20 0.25 1 401 96 40 CYS CA C 64.76 0.25 1 402 96 40 CYS CB C 26.69 0.25 1 403 96 40 CYS N N 116.40 0.15 1 404 97 41 VAL H H 7.94 0.02 1 405 97 41 VAL HA H 3.40 0.02 1 406 97 41 VAL HB H 2.04 0.02 1 407 97 41 VAL HG1 H 1.02 0.02 2 408 97 41 VAL HG2 H 0.86 0.02 2 409 97 41 VAL C C 178.20 0.25 1 410 97 41 VAL CA C 66.57 0.25 1 411 97 41 VAL CB C 31.48 0.25 1 412 97 41 VAL CG1 C 22.58 0.25 2 413 97 41 VAL CG2 C 20.83 0.25 2 414 97 41 VAL N N 120.90 0.15 1 415 98 42 ALA H H 7.97 0.02 1 416 98 42 ALA HA H 3.97 0.02 1 417 98 42 ALA HB H 1.40 0.02 1 418 98 42 ALA C C 178.60 0.25 1 419 98 42 ALA CA C 54.94 0.25 1 420 98 42 ALA CB C 16.96 0.25 1 421 98 42 ALA N N 121.90 0.15 1 422 99 43 MET H H 8.41 0.02 1 423 99 43 MET HA H 3.93 0.02 1 424 99 43 MET HB2 H 2.06 0.02 2 425 99 43 MET HB3 H 1.95 0.02 2 426 99 43 MET HG2 H 2.19 0.02 2 427 99 43 MET HG3 H 2.23 0.02 2 428 99 43 MET HE H 1.75 0.02 1 429 99 43 MET C C 176.70 0.25 1 430 99 43 MET CA C 57.47 0.25 1 431 99 43 MET CB C 31.35 0.25 1 432 99 43 MET CG C 34.81 0.25 1 433 99 43 MET CE C 17.89 0.25 1 434 99 43 MET N N 118.00 0.15 1 435 100 44 SER H H 7.57 0.02 1 436 100 44 SER HA H 3.92 0.02 1 437 100 44 SER HB2 H 3.96 0.02 2 438 100 44 SER HB3 H 3.83 0.02 2 439 100 44 SER C C 176.80 0.25 1 440 100 44 SER CA C 61.26 0.25 1 441 100 44 SER CB C 62.47 0.25 1 442 100 44 SER N N 112.20 0.15 1 443 101 45 LYS H H 7.79 0.02 1 444 101 45 LYS HA H 4.04 0.02 1 445 101 45 LYS HB2 H 2.02 0.02 2 446 101 45 LYS HB3 H 1.87 0.02 2 447 101 45 LYS HG2 H 1.59 0.02 2 448 101 45 LYS HG3 H 1.41 0.02 2 449 101 45 LYS HD2 H 1.58 0.02 2 450 101 45 LYS HD3 H 1.58 0.02 2 451 101 45 LYS HE2 H 2.84 0.02 2 452 101 45 LYS HE3 H 2.82 0.02 2 453 101 45 LYS C C 179.60 0.25 1 454 101 45 LYS CA C 59.26 0.25 1 455 101 45 LYS CB C 31.57 0.25 1 456 101 45 LYS CG C 25.33 0.25 1 457 101 45 LYS CD C 28.83 0.25 1 458 101 45 LYS CE C 41.58 0.25 1 459 101 45 LYS N N 119.10 0.15 1 460 102 46 LEU H H 8.40 0.02 1 461 102 46 LEU HA H 3.90 0.02 1 462 102 46 LEU HB2 H 1.85 0.02 2 463 102 46 LEU HB3 H 1.15 0.02 2 464 102 46 LEU HG H 1.20 0.02 1 465 102 46 LEU HD1 H 0.52 0.02 2 466 102 46 LEU HD2 H 0.21 0.02 2 467 102 46 LEU C C 178.70 0.25 1 468 102 46 LEU CA C 57.61 0.25 1 469 102 46 LEU CB C 41.06 0.25 1 470 102 46 LEU CG C 26.54 0.25 1 471 102 46 LEU CD1 C 26.50 0.25 2 472 102 46 LEU CD2 C 22.08 0.25 2 473 102 46 LEU N N 123.20 0.15 1 474 103 47 LEU H H 8.62 0.02 1 475 103 47 LEU HA H 3.82 0.02 1 476 103 47 LEU HB2 H 2.09 0.02 2 477 103 47 LEU HB3 H 1.27 0.02 2 478 103 47 LEU HG H 2.01 0.02 1 479 103 47 LEU HD1 H 0.63 0.02 2 480 103 47 LEU HD2 H 0.78 0.02 2 481 103 47 LEU C C 179.20 0.25 1 482 103 47 LEU CA C 57.63 0.25 1 483 103 47 LEU CB C 41.45 0.25 1 484 103 47 LEU CG C 26.03 0.25 1 485 103 47 LEU CD1 C 26.18 0.25 2 486 103 47 LEU CD2 C 22.60 0.25 2 487 103 47 LEU N N 116.80 0.15 1 488 104 48 THR H H 7.58 0.02 1 489 104 48 THR HA H 4.01 0.02 1 490 104 48 THR HB H 4.36 0.02 1 491 104 48 THR HG2 H 1.28 0.02 1 492 104 48 THR C C 175.10 0.25 1 493 104 48 THR CA C 65.17 0.25 1 494 104 48 THR CB C 68.99 0.25 1 495 104 48 THR CG2 C 21.64 0.25 1 496 104 48 THR N N 112.70 0.15 1 497 105 49 GLU H H 7.57 0.02 1 498 105 49 GLU HA H 4.22 0.02 1 499 105 49 GLU HB2 H 2.28 0.02 2 500 105 49 GLU HB3 H 2.11 0.02 2 501 105 49 GLU HG2 H 2.35 0.02 2 502 105 49 GLU HG3 H 2.27 0.02 2 503 105 49 GLU C C 176.50 0.25 1 504 105 49 GLU CA C 56.42 0.25 1 505 105 49 GLU CB C 29.76 0.25 1 506 105 49 GLU CG C 35.87 0.25 1 507 105 49 GLU N N 119.20 0.15 1 508 106 50 LEU H H 7.32 0.02 1 509 106 50 LEU HA H 4.37 0.02 1 510 106 50 LEU HB2 H 1.89 0.02 2 511 106 50 LEU HB3 H 1.17 0.02 2 512 106 50 LEU HG H 1.90 0.02 1 513 106 50 LEU HD1 H 0.76 0.02 2 514 106 50 LEU HD2 H 0.89 0.02 2 515 106 50 LEU C C 174.30 0.25 1 516 106 50 LEU CA C 53.82 0.25 1 517 106 50 LEU CB C 43.33 0.25 1 518 106 50 LEU CG C 25.96 0.25 1 519 106 50 LEU CD1 C 25.84 0.25 2 520 106 50 LEU CD2 C 23.41 0.25 2 521 106 50 LEU N N 119.60 0.15 1 522 107 51 ASN H H 8.76 0.02 1 523 107 51 ASN HA H 4.88 0.02 1 524 107 51 ASN HB2 H 3.04 0.02 2 525 107 51 ASN HB3 H 2.73 0.02 2 526 107 51 ASN HD21 H 7.58 0.02 2 527 107 51 ASN HD22 H 7.09 0.02 2 528 107 51 ASN C C 176.60 0.25 1 529 107 51 ASN CA C 51.42 0.25 1 530 107 51 ASN CB C 39.17 0.25 1 531 107 51 ASN N N 119.60 0.15 1 532 107 51 ASN ND2 N 113.40 0.15 1 533 108 52 SER H H 9.02 0.02 1 534 108 52 SER HA H 3.83 0.02 1 535 108 52 SER HB2 H 3.83 0.02 2 536 108 52 SER HB3 H 3.94 0.02 2 537 108 52 SER C C 176.00 0.25 1 538 108 52 SER CA C 62.10 0.25 1 539 108 52 SER CB C 62.38 0.25 1 540 108 52 SER N N 121.90 0.15 1 541 109 53 ASP H H 8.36 0.02 1 542 109 53 ASP HA H 4.33 0.02 1 543 109 53 ASP HB2 H 2.68 0.02 2 544 109 53 ASP HB3 H 2.57 0.02 2 545 109 53 ASP C C 178.80 0.25 1 546 109 53 ASP CA C 57.51 0.25 1 547 109 53 ASP CB C 39.67 0.25 1 548 109 53 ASP N N 121.50 0.15 1 549 110 54 ASP H H 7.65 0.02 1 550 110 54 ASP HA H 4.37 0.02 1 551 110 54 ASP HB2 H 2.87 0.02 2 552 110 54 ASP HB3 H 2.55 0.02 2 553 110 54 ASP C C 178.50 0.25 1 554 110 54 ASP CA C 56.93 0.25 1 555 110 54 ASP CB C 39.98 0.25 1 556 110 54 ASP N N 119.80 0.15 1 557 111 55 ILE H H 7.33 0.02 1 558 111 55 ILE HA H 3.50 0.02 1 559 111 55 ILE HB H 1.84 0.02 1 560 111 55 ILE HG12 H 1.58 0.02 2 561 111 55 ILE HG13 H 1.15 0.02 2 562 111 55 ILE HG2 H 0.92 0.02 1 563 111 55 ILE HD1 H 0.77 0.02 1 564 111 55 ILE C C 177.40 0.25 1 565 111 55 ILE CA C 63.50 0.25 1 566 111 55 ILE CB C 36.04 0.25 1 567 111 55 ILE CG1 C 28.39 0.25 1 568 111 55 ILE CG2 C 18.40 0.25 1 569 111 55 ILE CD1 C 13.22 0.25 1 570 111 55 ILE N N 119.60 0.15 1 571 112 56 LYS H H 8.40 0.02 1 572 112 56 LYS HA H 3.51 0.02 1 573 112 56 LYS HB2 H 1.88 0.02 2 574 112 56 LYS HB3 H 1.84 0.02 2 575 112 56 LYS HG2 H 1.58 0.02 2 576 112 56 LYS HG3 H 1.20 0.02 2 577 112 56 LYS HD2 H 1.66 0.02 2 578 112 56 LYS HD3 H 1.62 0.02 2 579 112 56 LYS HE2 H 2.91 0.02 2 580 112 56 LYS HE3 H 2.75 0.02 2 581 112 56 LYS C C 177.20 0.25 1 582 112 56 LYS CA C 60.38 0.25 1 583 112 56 LYS CB C 31.97 0.25 1 584 112 56 LYS CG C 26.83 0.25 1 585 112 56 LYS CD C 29.60 0.25 1 586 112 56 LYS CE C 41.96 0.25 1 587 112 56 LYS N N 121.60 0.15 1 588 113 57 LYS H H 7.20 0.02 1 589 113 57 LYS HA H 3.95 0.02 1 590 113 57 LYS HB2 H 1.82 0.02 2 591 113 57 LYS HB3 H 1.82 0.02 2 592 113 57 LYS HG2 H 1.54 0.02 2 593 113 57 LYS HG3 H 1.36 0.02 2 594 113 57 LYS HD2 H 1.66 0.02 2 595 113 57 LYS HD3 H 1.66 0.02 2 596 113 57 LYS HE2 H 2.92 0.02 2 597 113 57 LYS HE3 H 2.92 0.02 2 598 113 57 LYS C C 178.90 0.25 1 599 113 57 LYS CA C 59.16 0.25 1 600 113 57 LYS CB C 31.62 0.25 1 601 113 57 LYS CG C 24.91 0.25 1 602 113 57 LYS CD C 28.73 0.25 1 603 113 57 LYS CE C 41.61 0.25 1 604 113 57 LYS N N 117.00 0.15 1 605 114 58 LEU H H 6.91 0.02 1 606 114 58 LEU HA H 3.90 0.02 1 607 114 58 LEU HB2 H 1.21 0.02 2 608 114 58 LEU HB3 H 1.46 0.02 2 609 114 58 LEU HG H 1.69 0.02 1 610 114 58 LEU HD1 H 0.80 0.02 2 611 114 58 LEU HD2 H 0.77 0.02 2 612 114 58 LEU C C 179.90 0.25 1 613 114 58 LEU CA C 57.23 0.25 1 614 114 58 LEU CB C 40.65 0.25 1 615 114 58 LEU CG C 26.15 0.25 1 616 114 58 LEU CD1 C 25.17 0.25 2 617 114 58 LEU CD2 C 22.27 0.25 2 618 114 58 LEU N N 118.00 0.15 1 619 115 59 ARG H H 7.97 0.02 1 620 115 59 ARG HA H 3.51 0.02 1 621 115 59 ARG HB2 H 2.20 0.02 2 622 115 59 ARG HB3 H 1.35 0.02 2 623 115 59 ARG HG2 H 1.81 0.02 2 624 115 59 ARG HG3 H 1.63 0.02 2 625 115 59 ARG HD2 H 3.40 0.02 2 626 115 59 ARG HD3 H 2.90 0.02 2 627 115 59 ARG C C 178.10 0.25 1 628 115 59 ARG CA C 59.39 0.25 1 629 115 59 ARG CB C 29.55 0.25 1 630 115 59 ARG CG C 25.73 0.25 1 631 115 59 ARG CD C 42.72 0.25 1 632 115 59 ARG N N 121.00 0.15 1 633 116 60 ASP H H 8.40 0.02 1 634 116 60 ASP HA H 4.44 0.02 1 635 116 60 ASP HB2 H 2.71 0.02 2 636 116 60 ASP HB3 H 2.65 0.02 2 637 116 60 ASP C C 176.00 0.25 1 638 116 60 ASP CA C 55.76 0.25 1 639 116 60 ASP CB C 39.33 0.25 1 640 116 60 ASP N N 118.30 0.15 1 641 117 61 ASN H H 7.29 0.02 1 642 117 61 ASN HA H 4.78 0.02 1 643 117 61 ASN HB2 H 2.91 0.02 2 644 117 61 ASN HB3 H 2.67 0.02 2 645 117 61 ASN HD21 H 7.62 0.02 2 646 117 61 ASN HD22 H 6.84 0.02 2 647 117 61 ASN C C 175.30 0.25 1 648 117 61 ASN CA C 52.72 0.25 1 649 117 61 ASN CB C 39.48 0.25 1 650 117 61 ASN N N 116.30 0.15 1 651 117 61 ASN ND2 N 112.80 0.15 1 652 118 62 GLU H H 7.37 0.02 1 653 118 62 GLU HA H 4.27 0.02 1 654 118 62 GLU HB2 H 2.18 0.02 2 655 118 62 GLU HB3 H 2.33 0.02 2 656 118 62 GLU HG2 H 2.57 0.02 2 657 118 62 GLU HG3 H 2.31 0.02 2 658 118 62 GLU C C 176.30 0.25 1 659 118 62 GLU CA C 54.86 0.25 1 660 118 62 GLU CB C 30.74 0.25 1 661 118 62 GLU CG C 37.02 0.25 1 662 118 62 GLU N N 119.80 0.15 1 663 119 63 GLU H H 8.98 0.02 1 664 119 63 GLU HA H 4.41 0.02 1 665 119 63 GLU HB2 H 2.12 0.02 2 666 119 63 GLU HB3 H 1.96 0.02 2 667 119 63 GLU HG2 H 2.41 0.02 2 668 119 63 GLU HG3 H 2.37 0.02 2 669 119 63 GLU CA C 54.85 0.25 1 670 119 63 GLU CB C 28.45 0.25 1 671 119 63 GLU CG C 35.77 0.25 1 672 119 63 GLU N N 124.70 0.15 1 673 120 64 PRO HA H 4.19 0.02 1 674 120 64 PRO HB2 H 2.28 0.02 2 675 120 64 PRO HB3 H 1.84 0.02 2 676 120 64 PRO HG2 H 2.01 0.02 2 677 120 64 PRO HG3 H 2.01 0.02 2 678 120 64 PRO HD2 H 3.82 0.02 2 679 120 64 PRO HD3 H 3.69 0.02 2 680 120 64 PRO C C 177.20 0.25 1 681 120 64 PRO CA C 64.25 0.25 1 682 120 64 PRO CB C 31.49 0.25 1 683 120 64 PRO CG C 27.26 0.25 1 684 120 64 PRO CD C 50.13 0.25 1 685 121 65 ASN H H 8.51 0.02 1 686 121 65 ASN HA H 4.57 0.02 1 687 121 65 ASN HB2 H 2.96 0.02 2 688 121 65 ASN HB3 H 2.88 0.02 2 689 121 65 ASN HD21 H 7.62 0.02 2 690 121 65 ASN HD22 H 6.92 0.02 2 691 121 65 ASN C C 174.80 0.25 1 692 121 65 ASN CA C 52.81 0.25 1 693 121 65 ASN CB C 37.46 0.25 1 694 121 65 ASN N N 114.50 0.15 1 695 121 65 ASN ND2 N 113.60 0.15 1 696 122 66 SER H H 7.96 0.02 1 697 122 66 SER HA H 4.74 0.02 1 698 122 66 SER HB2 H 4.39 0.02 2 699 122 66 SER HB3 H 4.01 0.02 2 700 122 66 SER CA C 55.39 0.25 1 701 122 66 SER CB C 65.06 0.25 1 702 122 66 SER N N 116.60 0.15 1 703 123 67 PRO HA H 4.45 0.02 1 704 123 67 PRO HB2 H 2.38 0.02 2 705 123 67 PRO HB3 H 1.95 0.02 2 706 123 67 PRO HG2 H 2.06 0.02 2 707 123 67 PRO HG3 H 2.04 0.02 2 708 123 67 PRO HD2 H 4.01 0.02 2 709 123 67 PRO HD3 H 3.99 0.02 2 710 123 67 PRO C C 177.70 0.25 1 711 123 67 PRO CA C 64.15 0.25 1 712 123 67 PRO CB C 31.73 0.25 1 713 123 67 PRO CG C 26.93 0.25 1 714 123 67 PRO CD C 51.17 0.25 1 715 124 68 LYS H H 8.09 0.02 1 716 124 68 LYS HA H 3.73 0.02 1 717 124 68 LYS HB2 H 1.46 0.02 2 718 124 68 LYS HB3 H 1.36 0.02 2 719 124 68 LYS HG2 H 1.25 0.02 2 720 124 68 LYS HG3 H 1.13 0.02 2 721 124 68 LYS HD2 H 1.52 0.02 2 722 124 68 LYS HD3 H 1.52 0.02 2 723 124 68 LYS HE2 H 2.82 0.02 2 724 124 68 LYS HE3 H 2.79 0.02 2 725 124 68 LYS C C 177.50 0.25 1 726 124 68 LYS CA C 57.62 0.25 1 727 124 68 LYS CB C 32.38 0.25 1 728 124 68 LYS CG C 25.42 0.25 1 729 124 68 LYS CD C 28.53 0.25 1 730 124 68 LYS CE C 41.37 0.25 1 731 124 68 LYS N N 116.60 0.15 1 732 125 69 ILE H H 7.43 0.02 1 733 125 69 ILE HA H 3.52 0.02 1 734 125 69 ILE HB H 1.93 0.02 1 735 125 69 ILE HG12 H 1.63 0.02 2 736 125 69 ILE HG13 H 1.27 0.02 2 737 125 69 ILE HG2 H 0.88 0.02 1 738 125 69 ILE HD1 H 0.98 0.02 1 739 125 69 ILE C C 177.00 0.25 1 740 125 69 ILE CA C 66.11 0.25 1 741 125 69 ILE CB C 37.05 0.25 1 742 125 69 ILE CG1 C 29.87 0.25 1 743 125 69 ILE CG2 C 16.87 0.25 1 744 125 69 ILE CD1 C 12.92 0.25 1 745 125 69 ILE N N 118.40 0.15 1 746 126 70 ARG H H 7.53 0.02 1 747 126 70 ARG HA H 4.11 0.02 1 748 126 70 ARG HB2 H 1.88 0.02 2 749 126 70 ARG HB3 H 1.82 0.02 2 750 126 70 ARG HG2 H 1.65 0.02 2 751 126 70 ARG HG3 H 1.65 0.02 2 752 126 70 ARG HD2 H 3.18 0.02 2 753 126 70 ARG HD3 H 3.18 0.02 2 754 126 70 ARG C C 178.90 0.25 1 755 126 70 ARG CA C 58.71 0.25 1 756 126 70 ARG CB C 29.52 0.25 1 757 126 70 ARG CG C 26.89 0.25 1 758 126 70 ARG CD C 42.93 0.25 1 759 126 70 ARG N N 116.80 0.15 1 760 127 71 VAL H H 6.73 0.02 1 761 127 71 VAL HA H 3.61 0.02 1 762 127 71 VAL HB H 1.91 0.02 1 763 127 71 VAL HG1 H 0.90 0.02 2 764 127 71 VAL HG2 H 0.73 0.02 2 765 127 71 VAL C C 178.00 0.25 1 766 127 71 VAL CA C 65.83 0.25 1 767 127 71 VAL CB C 30.89 0.25 1 768 127 71 VAL CG1 C 21.32 0.25 2 769 127 71 VAL CG2 C 20.47 0.25 2 770 127 71 VAL N N 120.20 0.15 1 771 128 72 TYR H H 8.27 0.02 1 772 128 72 TYR HA H 4.19 0.02 1 773 128 72 TYR HB2 H 2.95 0.02 2 774 128 72 TYR HB3 H 2.82 0.02 2 775 128 72 TYR HD1 H 6.78 0.02 3 776 128 72 TYR HD2 H 6.78 0.02 3 777 128 72 TYR HE1 H 6.63 0.02 3 778 128 72 TYR HE2 H 6.63 0.02 3 779 128 72 TYR C C 177.90 0.25 1 780 128 72 TYR CA C 59.78 0.25 1 781 128 72 TYR CB C 36.62 0.25 1 782 128 72 TYR CD1 C 131.00 0.25 3 783 128 72 TYR CD2 C 131.00 0.25 3 784 128 72 TYR CE1 C 117.70 0.25 3 785 128 72 TYR CE2 C 117.70 0.25 3 786 128 72 TYR N N 117.80 0.15 1 787 129 73 ASN H H 8.56 0.02 1 788 129 73 ASN HA H 4.57 0.02 1 789 129 73 ASN HB2 H 2.86 0.02 2 790 129 73 ASN HB3 H 2.71 0.02 2 791 129 73 ASN HD21 H 7.49 0.02 2 792 129 73 ASN HD22 H 7.05 0.02 2 793 129 73 ASN C C 178.60 0.25 1 794 129 73 ASN CA C 55.58 0.25 1 795 129 73 ASN CB C 37.05 0.25 1 796 129 73 ASN N N 116.60 0.15 1 797 129 73 ASN ND2 N 110.80 0.15 1 798 130 74 THR H H 8.21 0.02 1 799 130 74 THR HA H 3.83 0.02 1 800 130 74 THR HB H 4.42 0.02 1 801 130 74 THR HG2 H 1.17 0.02 1 802 130 74 THR C C 175.60 0.25 1 803 130 74 THR CA C 66.58 0.25 1 804 130 74 THR CB C 68.23 0.25 1 805 130 74 THR CG2 C 21.19 0.25 1 806 130 74 THR N N 120.70 0.15 1 807 131 75 VAL H H 8.15 0.02 1 808 131 75 VAL HA H 3.60 0.02 1 809 131 75 VAL HB H 2.17 0.02 1 810 131 75 VAL HG1 H 0.97 0.02 2 811 131 75 VAL HG2 H 1.04 0.02 2 812 131 75 VAL C C 177.70 0.25 1 813 131 75 VAL CA C 67.93 0.25 1 814 131 75 VAL CB C 31.44 0.25 1 815 131 75 VAL CG1 C 21.16 0.25 2 816 131 75 VAL CG2 C 22.64 0.25 2 817 131 75 VAL N N 122.50 0.15 1 818 132 76 ILE H H 8.80 0.02 1 819 132 76 ILE HA H 3.52 0.02 1 820 132 76 ILE HB H 1.89 0.02 1 821 132 76 ILE HG12 H 1.90 0.02 2 822 132 76 ILE HG13 H 0.86 0.02 2 823 132 76 ILE HG2 H 0.89 0.02 1 824 132 76 ILE HD1 H 0.74 0.02 1 825 132 76 ILE C C 177.20 0.25 1 826 132 76 ILE CA C 66.41 0.25 1 827 132 76 ILE CB C 37.95 0.25 1 828 132 76 ILE CG1 C 30.41 0.25 1 829 132 76 ILE CG2 C 16.80 0.25 1 830 132 76 ILE CD1 C 14.20 0.25 1 831 132 76 ILE N N 120.00 0.15 1 832 133 77 SER H H 7.84 0.02 1 833 133 77 SER HA H 4.21 0.02 1 834 133 77 SER HB2 H 3.88 0.02 2 835 133 77 SER HB3 H 3.88 0.02 2 836 133 77 SER C C 177.70 0.25 1 837 133 77 SER CA C 61.61 0.25 1 838 133 77 SER CB C 61.90 0.25 1 839 133 77 SER N N 114.30 0.15 1 840 134 78 TYR H H 7.95 0.02 1 841 134 78 TYR HA H 4.48 0.02 1 842 134 78 TYR HB2 H 3.01 0.02 2 843 134 78 TYR HB3 H 2.99 0.02 2 844 134 78 TYR HD1 H 6.88 0.02 3 845 134 78 TYR HD2 H 6.88 0.02 3 846 134 78 TYR HE1 H 6.62 0.02 3 847 134 78 TYR HE2 H 6.62 0.02 3 848 134 78 TYR C C 178.20 0.25 1 849 134 78 TYR CA C 61.04 0.25 1 850 134 78 TYR CB C 37.50 0.25 1 851 134 78 TYR CD1 C 130.80 0.25 3 852 134 78 TYR CD2 C 130.80 0.25 3 853 134 78 TYR CE1 C 117.70 0.25 3 854 134 78 TYR CE2 C 117.70 0.25 3 855 134 78 TYR N N 121.40 0.15 1 856 135 79 ILE H H 8.89 0.02 1 857 135 79 ILE HA H 3.58 0.02 1 858 135 79 ILE HB H 2.06 0.02 1 859 135 79 ILE HG12 H 2.01 0.02 2 860 135 79 ILE HG13 H 1.10 0.02 2 861 135 79 ILE HG2 H 0.97 0.02 1 862 135 79 ILE HD1 H 0.72 0.02 1 863 135 79 ILE C C 179.20 0.25 1 864 135 79 ILE CA C 66.02 0.25 1 865 135 79 ILE CB C 38.27 0.25 1 866 135 79 ILE CG1 C 29.48 0.25 1 867 135 79 ILE CG2 C 17.27 0.25 1 868 135 79 ILE CD1 C 16.81 0.25 1 869 135 79 ILE N N 122.60 0.15 1 870 136 80 GLU H H 8.42 0.02 1 871 136 80 GLU HA H 4.07 0.02 1 872 136 80 GLU HB2 H 2.08 0.02 2 873 136 80 GLU HB3 H 2.03 0.02 2 874 136 80 GLU HG2 H 2.45 0.02 2 875 136 80 GLU HG3 H 2.31 0.02 2 876 136 80 GLU C C 179.60 0.25 1 877 136 80 GLU CA C 58.99 0.25 1 878 136 80 GLU CB C 28.80 0.25 1 879 136 80 GLU CG C 35.99 0.25 1 880 136 80 GLU N N 118.80 0.15 1 881 137 81 SER H H 8.40 0.02 1 882 137 81 SER HA H 4.11 0.02 1 883 137 81 SER HB2 H 4.02 0.02 2 884 137 81 SER HB3 H 3.97 0.02 2 885 137 81 SER C C 176.70 0.25 1 886 137 81 SER CA C 61.61 0.25 1 887 137 81 SER CB C 62.70 0.25 1 888 137 81 SER N N 116.00 0.15 1 889 138 82 ASN H H 8.57 0.02 1 890 138 82 ASN HA H 4.20 0.02 1 891 138 82 ASN HB2 H 2.93 0.02 2 892 138 82 ASN HB3 H 2.76 0.02 2 893 138 82 ASN HD21 H 7.61 0.02 2 894 138 82 ASN HD22 H 6.78 0.02 2 895 138 82 ASN C C 176.00 0.25 1 896 138 82 ASN CA C 56.29 0.25 1 897 138 82 ASN CB C 40.04 0.25 1 898 138 82 ASN N N 121.90 0.15 1 899 138 82 ASN ND2 N 117.80 0.15 1 900 139 83 ARG H H 7.82 0.02 1 901 139 83 ARG HA H 4.04 0.02 1 902 139 83 ARG HB2 H 1.96 0.02 2 903 139 83 ARG HB3 H 1.93 0.02 2 904 139 83 ARG HG2 H 1.84 0.02 2 905 139 83 ARG HG3 H 1.72 0.02 2 906 139 83 ARG HD2 H 3.23 0.02 2 907 139 83 ARG HD3 H 3.23 0.02 2 908 139 83 ARG C C 178.30 0.25 1 909 139 83 ARG CA C 57.84 0.25 1 910 139 83 ARG CB C 29.82 0.25 1 911 139 83 ARG CG C 26.82 0.25 1 912 139 83 ARG CD C 42.95 0.25 1 913 139 83 ARG N N 117.10 0.15 1 914 140 84 LYS H H 7.33 0.02 1 915 140 84 LYS HA H 4.08 0.02 1 916 140 84 LYS HB2 H 1.89 0.02 2 917 140 84 LYS HB3 H 1.84 0.02 2 918 140 84 LYS HG2 H 1.55 0.02 2 919 140 84 LYS HG3 H 1.42 0.02 2 920 140 84 LYS HD2 H 1.67 0.02 2 921 140 84 LYS HD3 H 1.59 0.02 2 922 140 84 LYS HE2 H 2.96 0.02 2 923 140 84 LYS HE3 H 2.92 0.02 2 924 140 84 LYS C C 177.30 0.25 1 925 140 84 LYS CA C 58.21 0.25 1 926 140 84 LYS CB C 32.61 0.25 1 927 140 84 LYS CG C 24.86 0.25 1 928 140 84 LYS CD C 28.83 0.25 1 929 140 84 LYS CE C 41.51 0.25 1 930 140 84 LYS N N 118.20 0.15 1 931 141 85 ASN H H 8.08 0.02 1 932 141 85 ASN HA H 4.60 0.02 1 933 141 85 ASN HB2 H 3.00 0.02 2 934 141 85 ASN HB3 H 2.77 0.02 2 935 141 85 ASN HD21 H 7.76 0.02 2 936 141 85 ASN HD22 H 7.02 0.02 2 937 141 85 ASN CA C 53.51 0.25 1 938 141 85 ASN CB C 38.11 0.25 1 939 141 85 ASN N N 114.60 0.15 1 940 141 85 ASN ND2 N 114.00 0.15 1 941 142 86 ASN H H 7.95 0.02 1 942 142 86 ASN HA H 4.43 0.02 1 943 142 86 ASN HB2 H 2.85 0.02 2 944 142 86 ASN HB3 H 2.81 0.02 2 945 142 86 ASN HD21 H 7.59 0.02 2 946 142 86 ASN HD22 H 6.91 0.02 2 947 142 86 ASN C C 176.30 0.25 1 948 142 86 ASN CA C 56.60 0.25 1 949 142 86 ASN CB C 36.77 0.25 1 950 142 86 ASN N N 116.40 0.15 1 951 142 86 ASN ND2 N 113.20 0.15 1 952 143 87 LYS H H 7.92 0.02 1 953 143 87 LYS HA H 3.88 0.02 1 954 143 87 LYS HB2 H 1.93 0.02 2 955 143 87 LYS HB3 H 1.82 0.02 2 956 143 87 LYS HG2 H 1.52 0.02 2 957 143 87 LYS HG3 H 1.34 0.02 2 958 143 87 LYS HD2 H 1.67 0.02 2 959 143 87 LYS HD3 H 1.67 0.02 2 960 143 87 LYS HE2 H 2.97 0.02 2 961 143 87 LYS HE3 H 2.97 0.02 2 962 143 87 LYS C C 179.30 0.25 1 963 143 87 LYS CA C 59.46 0.25 1 964 143 87 LYS CB C 31.45 0.25 1 965 143 87 LYS CG C 24.94 0.25 1 966 143 87 LYS CD C 28.83 0.25 1 967 143 87 LYS CE C 41.47 0.25 1 968 143 87 LYS N N 121.30 0.15 1 969 144 88 GLN H H 8.00 0.02 1 970 144 88 GLN HA H 4.11 0.02 1 971 144 88 GLN HB2 H 1.99 0.02 2 972 144 88 GLN HB3 H 1.94 0.02 2 973 144 88 GLN HG2 H 2.37 0.02 2 974 144 88 GLN HG3 H 2.36 0.02 2 975 144 88 GLN HE21 H 7.35 0.02 2 976 144 88 GLN HE22 H 6.75 0.02 2 977 144 88 GLN C C 178.20 0.25 1 978 144 88 GLN CA C 57.56 0.25 1 979 144 88 GLN CB C 28.01 0.25 1 980 144 88 GLN CG C 33.22 0.25 1 981 144 88 GLN N N 119.20 0.15 1 982 144 88 GLN NE2 N 110.90 0.15 1 983 145 89 THR H H 7.66 0.02 1 984 145 89 THR HA H 3.89 0.02 1 985 145 89 THR HB H 4.50 0.02 1 986 145 89 THR HG2 H 1.14 0.02 1 987 145 89 THR C C 175.30 0.25 1 988 145 89 THR CA C 67.33 0.25 1 989 145 89 THR CB C 67.27 0.25 1 990 145 89 THR CG2 C 20.32 0.25 1 991 145 89 THR N N 117.50 0.15 1 992 146 90 ILE H H 8.36 0.02 1 993 146 90 ILE HA H 3.32 0.02 1 994 146 90 ILE HB H 1.83 0.02 1 995 146 90 ILE HG12 H 1.87 0.02 2 996 146 90 ILE HG13 H 0.78 0.02 2 997 146 90 ILE HG2 H 0.72 0.02 1 998 146 90 ILE HD1 H 0.85 0.02 1 999 146 90 ILE C C 176.70 0.25 1 1000 146 90 ILE CA C 66.60 0.25 1 1001 146 90 ILE CB C 37.85 0.25 1 1002 146 90 ILE CG1 C 30.33 0.25 1 1003 146 90 ILE CG2 C 16.85 0.25 1 1004 146 90 ILE CD1 C 13.77 0.25 1 1005 146 90 ILE N N 122.80 0.15 1 1006 147 91 HIS H H 7.54 0.02 1 1007 147 91 HIS HA H 4.14 0.02 1 1008 147 91 HIS HB2 H 3.20 0.02 2 1009 147 91 HIS HB3 H 3.10 0.02 2 1010 147 91 HIS HD2 H 6.85 0.02 1 1011 147 91 HIS HE1 H 7.52 0.02 1 1012 147 91 HIS C C 177.10 0.25 1 1013 147 91 HIS CA C 59.55 0.25 1 1014 147 91 HIS CB C 30.02 0.25 1 1015 147 91 HIS CD2 C 119.50 0.25 1 1016 147 91 HIS CE1 C 138.30 0.25 1 1017 147 91 HIS N N 117.30 0.15 1 1018 148 92 LEU H H 8.01 0.02 1 1019 148 92 LEU HA H 3.93 0.02 1 1020 148 92 LEU HB2 H 1.99 0.02 2 1021 148 92 LEU HB3 H 1.78 0.02 2 1022 148 92 LEU HG H 1.89 0.02 1 1023 148 92 LEU HD1 H 0.93 0.02 2 1024 148 92 LEU HD2 H 0.89 0.02 2 1025 148 92 LEU C C 180.30 0.25 1 1026 148 92 LEU CA C 57.93 0.25 1 1027 148 92 LEU CB C 41.74 0.25 1 1028 148 92 LEU CG C 26.41 0.25 1 1029 148 92 LEU CD1 C 24.98 0.25 2 1030 148 92 LEU CD2 C 23.41 0.25 2 1031 148 92 LEU N N 119.70 0.15 1 1032 149 93 LEU H H 8.31 0.02 1 1033 149 93 LEU HA H 3.88 0.02 1 1034 149 93 LEU HB2 H 1.82 0.02 2 1035 149 93 LEU HB3 H 1.37 0.02 2 1036 149 93 LEU HG H 1.70 0.02 1 1037 149 93 LEU HD1 H 0.51 0.02 2 1038 149 93 LEU HD2 H 0.20 0.02 2 1039 149 93 LEU C C 177.90 0.25 1 1040 149 93 LEU CA C 57.39 0.25 1 1041 149 93 LEU CB C 41.41 0.25 1 1042 149 93 LEU CG C 26.22 0.25 1 1043 149 93 LEU CD1 C 26.36 0.25 2 1044 149 93 LEU CD2 C 21.70 0.25 2 1045 149 93 LEU N N 120.90 0.15 1 1046 150 94 LYS H H 8.00 0.02 1 1047 150 94 LYS HA H 3.74 0.02 1 1048 150 94 LYS HB2 H 1.84 0.02 2 1049 150 94 LYS HB3 H 1.84 0.02 2 1050 150 94 LYS HG2 H 1.50 0.02 2 1051 150 94 LYS HG3 H 1.48 0.02 2 1052 150 94 LYS HD2 H 1.66 0.02 2 1053 150 94 LYS HD3 H 1.56 0.02 2 1054 150 94 LYS HE2 H 2.90 0.02 2 1055 150 94 LYS HE3 H 2.83 0.02 2 1056 150 94 LYS C C 177.60 0.25 1 1057 150 94 LYS CA C 58.52 0.25 1 1058 150 94 LYS CB C 32.11 0.25 1 1059 150 94 LYS CG C 25.90 0.25 1 1060 150 94 LYS CD C 29.34 0.25 1 1061 150 94 LYS CE C 41.50 0.25 1 1062 150 94 LYS N N 116.60 0.15 1 1063 151 95 ARG H H 7.30 0.02 1 1064 151 95 ARG HA H 4.16 0.02 1 1065 151 95 ARG HB2 H 1.92 0.02 2 1066 151 95 ARG HB3 H 1.77 0.02 2 1067 151 95 ARG HG2 H 1.68 0.02 2 1068 151 95 ARG HG3 H 1.61 0.02 2 1069 151 95 ARG HD2 H 3.04 0.02 2 1070 151 95 ARG HD3 H 3.04 0.02 2 1071 151 95 ARG C C 177.50 0.25 1 1072 151 95 ARG CA C 55.69 0.25 1 1073 151 95 ARG CB C 30.38 0.25 1 1074 151 95 ARG CG C 27.14 0.25 1 1075 151 95 ARG CD C 43.11 0.25 1 1076 151 95 ARG N N 116.20 0.15 1 1077 152 96 LEU H H 7.49 0.02 1 1078 152 96 LEU HA H 4.43 0.02 1 1079 152 96 LEU HB2 H 1.99 0.02 2 1080 152 96 LEU HB3 H 1.10 0.02 2 1081 152 96 LEU HG H 2.09 0.02 1 1082 152 96 LEU HD1 H 0.91 0.02 2 1083 152 96 LEU HD2 H 0.89 0.02 2 1084 152 96 LEU CA C 53.17 0.25 1 1085 152 96 LEU CB C 41.75 0.25 1 1086 152 96 LEU CG C 25.63 0.25 1 1087 152 96 LEU CD1 C 25.44 0.25 2 1088 152 96 LEU CD2 C 22.06 0.25 2 1089 152 96 LEU N N 122.70 0.15 1 1090 153 97 PRO HA H 4.47 0.02 1 1091 153 97 PRO HB2 H 2.50 0.02 2 1092 153 97 PRO HB3 H 1.95 0.02 2 1093 153 97 PRO HG2 H 2.12 0.02 2 1094 153 97 PRO HG3 H 2.17 0.02 2 1095 153 97 PRO HD2 H 4.01 0.02 2 1096 153 97 PRO HD3 H 3.38 0.02 2 1097 153 97 PRO CA C 62.34 0.25 1 1098 153 97 PRO CB C 31.92 0.25 1 1099 153 97 PRO CG C 27.85 0.25 1 1100 153 97 PRO CD C 50.00 0.25 1 1101 154 98 ALA H H 8.92 0.02 1 1102 154 98 ALA HA H 3.96 0.02 1 1103 154 98 ALA HB H 1.50 0.02 1 1104 154 98 ALA C C 178.50 0.25 1 1105 154 98 ALA CA C 56.06 0.25 1 1106 154 98 ALA CB C 18.19 0.25 1 1107 154 98 ALA N N 126.40 0.15 1 1108 155 99 ASP H H 8.92 0.02 1 1109 155 99 ASP HA H 4.26 0.02 1 1110 155 99 ASP HB2 H 2.68 0.02 2 1111 155 99 ASP HB3 H 2.56 0.02 2 1112 155 99 ASP C C 178.70 0.25 1 1113 155 99 ASP CA C 56.92 0.25 1 1114 155 99 ASP CB C 39.32 0.25 1 1115 155 99 ASP N N 114.30 0.15 1 1116 156 100 VAL H H 7.20 0.02 1 1117 156 100 VAL HA H 3.69 0.02 1 1118 156 100 VAL HB H 2.08 0.02 1 1119 156 100 VAL HG1 H 1.02 0.02 2 1120 156 100 VAL HG2 H 1.05 0.02 2 1121 156 100 VAL C C 179.40 0.25 1 1122 156 100 VAL CA C 65.11 0.25 1 1123 156 100 VAL CB C 31.85 0.25 1 1124 156 100 VAL CG1 C 21.41 0.25 2 1125 156 100 VAL CG2 C 21.56 0.25 2 1126 156 100 VAL N N 122.30 0.15 1 1127 157 101 LEU H H 8.85 0.02 1 1128 157 101 LEU HA H 3.96 0.02 1 1129 157 101 LEU HB2 H 2.07 0.02 2 1130 157 101 LEU HB3 H 1.48 0.02 2 1131 157 101 LEU HG H 1.50 0.02 1 1132 157 101 LEU HD1 H 0.79 0.02 2 1133 157 101 LEU HD2 H 0.86 0.02 2 1134 157 101 LEU C C 178.30 0.25 1 1135 157 101 LEU CA C 58.13 0.25 1 1136 157 101 LEU CB C 40.44 0.25 1 1137 157 101 LEU CG C 27.55 0.25 1 1138 157 101 LEU CD1 C 26.51 0.25 2 1139 157 101 LEU CD2 C 22.50 0.25 2 1140 157 101 LEU N N 124.60 0.15 1 1141 158 102 LYS H H 8.82 0.02 1 1142 158 102 LYS HA H 3.83 0.02 1 1143 158 102 LYS HB2 H 1.91 0.02 2 1144 158 102 LYS HB3 H 1.82 0.02 2 1145 158 102 LYS HG2 H 1.82 0.02 2 1146 158 102 LYS HG3 H 1.01 0.02 2 1147 158 102 LYS HD2 H 1.52 0.02 2 1148 158 102 LYS HD3 H 1.52 0.02 2 1149 158 102 LYS HE2 H 2.47 0.02 2 1150 158 102 LYS HE3 H 2.12 0.02 2 1151 158 102 LYS C C 178.20 0.25 1 1152 158 102 LYS CA C 61.07 0.25 1 1153 158 102 LYS CB C 32.21 0.25 1 1154 158 102 LYS CG C 28.32 0.25 1 1155 158 102 LYS CD C 29.53 0.25 1 1156 158 102 LYS CE C 41.03 0.25 1 1157 158 102 LYS N N 117.60 0.15 1 1158 159 103 LYS H H 7.57 0.02 1 1159 159 103 LYS HA H 3.99 0.02 1 1160 159 103 LYS HB2 H 1.92 0.02 2 1161 159 103 LYS HB3 H 1.92 0.02 2 1162 159 103 LYS HG2 H 1.56 0.02 2 1163 159 103 LYS HG3 H 1.45 0.02 2 1164 159 103 LYS HD2 H 1.67 0.02 2 1165 159 103 LYS HD3 H 1.67 0.02 2 1166 159 103 LYS HE2 H 2.95 0.02 2 1167 159 103 LYS HE3 H 2.95 0.02 2 1168 159 103 LYS C C 177.90 0.25 1 1169 159 103 LYS CA C 59.20 0.25 1 1170 159 103 LYS CB C 31.90 0.25 1 1171 159 103 LYS CG C 24.74 0.25 1 1172 159 103 LYS CD C 28.73 0.25 1 1173 159 103 LYS CE C 41.52 0.25 1 1174 159 103 LYS N N 119.50 0.15 1 1175 160 104 THR H H 8.23 0.02 1 1176 160 104 THR HA H 3.94 0.02 1 1177 160 104 THR HB H 4.31 0.02 1 1178 160 104 THR HG2 H 0.96 0.02 1 1179 160 104 THR C C 177.40 0.25 1 1180 160 104 THR CA C 66.92 0.25 1 1181 160 104 THR CB C 68.26 0.25 1 1182 160 104 THR CG2 C 19.98 0.25 1 1183 160 104 THR N N 117.10 0.15 1 1184 161 105 ILE H H 9.00 0.02 1 1185 161 105 ILE HA H 3.57 0.02 1 1186 161 105 ILE HB H 1.91 0.02 1 1187 161 105 ILE HG12 H 1.16 0.02 2 1188 161 105 ILE HG13 H 1.87 0.02 2 1189 161 105 ILE HG2 H 0.94 0.02 1 1190 161 105 ILE HD1 H 0.76 0.02 1 1191 161 105 ILE C C 176.90 0.25 1 1192 161 105 ILE CA C 65.92 0.25 1 1193 161 105 ILE CB C 37.91 0.25 1 1194 161 105 ILE CG1 C 27.83 0.25 1 1195 161 105 ILE CG2 C 19.54 0.25 1 1196 161 105 ILE CD1 C 14.93 0.25 1 1197 161 105 ILE N N 125.10 0.15 1 1198 162 106 LYS H H 8.43 0.02 1 1199 162 106 LYS HA H 3.82 0.02 1 1200 162 106 LYS HB2 H 2.04 0.02 2 1201 162 106 LYS HB3 H 1.87 0.02 2 1202 162 106 LYS HG2 H 1.45 0.02 2 1203 162 106 LYS HG3 H 1.45 0.02 2 1204 162 106 LYS HD2 H 1.72 0.02 2 1205 162 106 LYS HD3 H 1.54 0.02 2 1206 162 106 LYS HE2 H 2.94 0.02 2 1207 162 106 LYS HE3 H 2.94 0.02 2 1208 162 106 LYS C C 178.00 0.25 1 1209 162 106 LYS CA C 59.74 0.25 1 1210 162 106 LYS CB C 31.86 0.25 1 1211 162 106 LYS CG C 24.64 0.25 1 1212 162 106 LYS CD C 28.24 0.25 1 1213 162 106 LYS CE C 41.81 0.25 1 1214 162 106 LYS N N 121.40 0.15 1 1215 163 107 ASN H H 8.46 0.02 1 1216 163 107 ASN HA H 4.45 0.02 1 1217 163 107 ASN HB2 H 2.86 0.02 2 1218 163 107 ASN HB3 H 2.39 0.02 2 1219 163 107 ASN HD21 H 7.66 0.02 2 1220 163 107 ASN HD22 H 7.03 0.02 2 1221 163 107 ASN C C 177.50 0.25 1 1222 163 107 ASN CA C 55.60 0.25 1 1223 163 107 ASN CB C 38.19 0.25 1 1224 163 107 ASN N N 115.50 0.15 1 1225 163 107 ASN ND2 N 112.50 0.15 1 1226 164 108 THR H H 7.96 0.02 1 1227 164 108 THR HA H 3.71 0.02 1 1228 164 108 THR HB H 4.13 0.02 1 1229 164 108 THR HG2 H 1.01 0.02 1 1230 164 108 THR C C 175.90 0.25 1 1231 164 108 THR CA C 67.97 0.25 1 1232 164 108 THR CB C 67.12 0.25 1 1233 164 108 THR CG2 C 21.47 0.25 1 1234 164 108 THR N N 117.60 0.15 1 1235 165 109 LEU H H 8.95 0.02 1 1236 165 109 LEU HA H 4.01 0.02 1 1237 165 109 LEU HB2 H 2.05 0.02 2 1238 165 109 LEU HB3 H 1.52 0.02 2 1239 165 109 LEU HG H 1.70 0.02 1 1240 165 109 LEU HD1 H 0.82 0.02 2 1241 165 109 LEU HD2 H 0.87 0.02 2 1242 165 109 LEU C C 179.50 0.25 1 1243 165 109 LEU CA C 57.76 0.25 1 1244 165 109 LEU CB C 41.56 0.25 1 1245 165 109 LEU CG C 26.39 0.25 1 1246 165 109 LEU CD1 C 26.02 0.25 2 1247 165 109 LEU CD2 C 23.45 0.25 2 1248 165 109 LEU N N 123.50 0.15 1 1249 166 110 ASP H H 8.39 0.02 1 1250 166 110 ASP HA H 4.40 0.02 1 1251 166 110 ASP HB2 H 2.87 0.02 2 1252 166 110 ASP HB3 H 2.66 0.02 2 1253 166 110 ASP C C 179.30 0.25 1 1254 166 110 ASP CA C 57.21 0.25 1 1255 166 110 ASP CB C 39.62 0.25 1 1256 166 110 ASP N N 120.00 0.15 1 1257 167 111 ILE H H 7.70 0.02 1 1258 167 111 ILE HA H 3.75 0.02 1 1259 167 111 ILE HB H 2.03 0.02 1 1260 167 111 ILE HG12 H 1.15 0.02 2 1261 167 111 ILE HG13 H 1.98 0.02 2 1262 167 111 ILE HG2 H 0.95 0.02 1 1263 167 111 ILE HD1 H 0.89 0.02 1 1264 167 111 ILE C C 177.30 0.25 1 1265 167 111 ILE CA C 64.84 0.25 1 1266 167 111 ILE CB C 38.00 0.25 1 1267 167 111 ILE CG1 C 29.75 0.25 1 1268 167 111 ILE CG2 C 17.72 0.25 1 1269 167 111 ILE CD1 C 14.76 0.25 1 1270 167 111 ILE N N 122.00 0.15 1 1271 168 112 HIS H H 8.71 0.02 1 1272 168 112 HIS HA H 4.06 0.02 1 1273 168 112 HIS HB2 H 3.38 0.02 2 1274 168 112 HIS HB3 H 3.01 0.02 2 1275 168 112 HIS HD2 H 6.85 0.02 1 1276 168 112 HIS HE1 H 7.65 0.02 1 1277 168 112 HIS C C 177.80 0.25 1 1278 168 112 HIS CA C 60.40 0.25 1 1279 168 112 HIS CB C 31.27 0.25 1 1280 168 112 HIS CD2 C 119.40 0.25 1 1281 168 112 HIS CE1 C 138.30 0.25 1 1282 168 112 HIS N N 120.60 0.15 1 1283 169 113 LYS H H 8.54 0.02 1 1284 169 113 LYS HA H 3.86 0.02 1 1285 169 113 LYS HB2 H 1.99 0.02 2 1286 169 113 LYS HB3 H 1.93 0.02 2 1287 169 113 LYS HG2 H 1.60 0.02 2 1288 169 113 LYS HG3 H 1.47 0.02 2 1289 169 113 LYS HD2 H 1.59 0.02 2 1290 169 113 LYS HD3 H 1.59 0.02 2 1291 169 113 LYS HE2 H 2.91 0.02 2 1292 169 113 LYS HE3 H 2.91 0.02 2 1293 169 113 LYS C C 177.90 0.25 1 1294 169 113 LYS CA C 59.03 0.25 1 1295 169 113 LYS CB C 31.91 0.25 1 1296 169 113 LYS CG C 25.09 0.25 1 1297 169 113 LYS CD C 28.88 0.25 1 1298 169 113 LYS CE C 41.67 0.25 1 1299 169 113 LYS N N 119.30 0.15 1 1300 170 114 SER H H 7.75 0.02 1 1301 170 114 SER HA H 4.24 0.02 1 1302 170 114 SER HB2 H 4.05 0.02 2 1303 170 114 SER HB3 H 3.94 0.02 2 1304 170 114 SER C C 175.70 0.25 1 1305 170 114 SER CA C 61.00 0.25 1 1306 170 114 SER CB C 63.07 0.25 1 1307 170 114 SER N N 114.00 0.15 1 1308 171 115 ILE H H 7.85 0.02 1 1309 171 115 ILE HA H 4.09 0.02 1 1310 171 115 ILE HB H 1.93 0.02 1 1311 171 115 ILE HG12 H 1.55 0.02 2 1312 171 115 ILE HG13 H 1.25 0.02 2 1313 171 115 ILE HG2 H 0.86 0.02 1 1314 171 115 ILE HD1 H 0.80 0.02 1 1315 171 115 ILE C C 177.10 0.25 1 1316 171 115 ILE CA C 62.58 0.25 1 1317 171 115 ILE CB C 38.11 0.25 1 1318 171 115 ILE CG1 C 27.15 0.25 1 1319 171 115 ILE CG2 C 17.18 0.25 1 1320 171 115 ILE CD1 C 13.84 0.25 1 1321 171 115 ILE N N 118.20 0.15 1 1322 172 116 THR H H 7.70 0.02 1 1323 172 116 THR HA H 4.13 0.02 1 1324 172 116 THR HB H 4.04 0.02 1 1325 172 116 THR HG2 H 1.01 0.02 1 1326 172 116 THR C C 175.30 0.25 1 1327 172 116 THR CA C 63.18 0.25 1 1328 172 116 THR CB C 69.01 0.25 1 1329 172 116 THR CG2 C 20.93 0.25 1 1330 172 116 THR N N 114.60 0.15 1 1331 173 117 ILE H H 7.78 0.02 1 1332 173 117 ILE HA H 4.03 0.02 1 1333 173 117 ILE HB H 1.88 0.02 1 1334 173 117 ILE HG12 H 1.45 0.02 2 1335 173 117 ILE HG13 H 1.17 0.02 2 1336 173 117 ILE HG2 H 0.85 0.02 1 1337 173 117 ILE HD1 H 0.80 0.02 1 1338 173 117 ILE C C 175.90 0.25 1 1339 173 117 ILE CA C 61.80 0.25 1 1340 173 117 ILE CB C 37.99 0.25 1 1341 173 117 ILE CG1 C 27.30 0.25 1 1342 173 117 ILE CG2 C 16.97 0.25 1 1343 173 117 ILE CD1 C 12.74 0.25 1 1344 173 117 ILE N N 121.90 0.15 1 1345 174 118 ASN H H 8.09 0.02 1 1346 174 118 ASN HA H 4.67 0.02 1 1347 174 118 ASN HB2 H 2.78 0.02 2 1348 174 118 ASN HB3 H 2.66 0.02 2 1349 174 118 ASN HD21 H 7.56 0.02 2 1350 174 118 ASN HD22 H 6.86 0.02 2 1351 174 118 ASN C C 174.30 0.25 1 1352 174 118 ASN CA C 52.94 0.25 1 1353 174 118 ASN CB C 38.72 0.25 1 1354 174 118 ASN N N 120.20 0.15 1 1355 174 118 ASN ND2 N 113.10 0.15 1 1356 175 119 ASN H H 8.09 0.02 1 1357 175 119 ASN HA H 4.94 0.02 1 1358 175 119 ASN HB2 H 2.74 0.02 2 1359 175 119 ASN HB3 H 2.64 0.02 2 1360 175 119 ASN HD21 H 7.57 0.02 2 1361 175 119 ASN HD22 H 6.87 0.02 2 1362 175 119 ASN CA C 51.16 0.25 1 1363 175 119 ASN CB C 38.43 0.25 1 1364 175 119 ASN N N 120.20 0.15 1 1365 175 119 ASN ND2 N 112.80 0.15 1 1366 176 120 PRO HA H 4.39 0.02 1 1367 176 120 PRO HB2 H 2.22 0.02 2 1368 176 120 PRO HB3 H 1.94 0.02 2 1369 176 120 PRO HG2 H 1.97 0.02 2 1370 176 120 PRO HG3 H 1.97 0.02 2 1371 176 120 PRO HD2 H 3.68 0.02 2 1372 176 120 PRO HD3 H 3.63 0.02 2 1373 176 120 PRO C C 175.90 0.25 1 1374 176 120 PRO CA C 63.18 0.25 1 1375 176 120 PRO CB C 31.66 0.25 1 1376 176 120 PRO CG C 26.91 0.25 1 1377 176 120 PRO CD C 50.24 0.25 1 1378 177 121 LYS H H 7.96 0.02 1 1379 177 121 LYS HA H 4.10 0.02 1 1380 177 121 LYS HB2 H 1.79 0.02 2 1381 177 121 LYS HB3 H 1.67 0.02 2 1382 177 121 LYS HG2 H 1.39 0.02 2 1383 177 121 LYS HG3 H 1.39 0.02 2 1384 177 121 LYS HD2 H 1.65 0.02 2 1385 177 121 LYS HD3 H 1.65 0.02 2 1386 177 121 LYS HE2 H 2.96 0.02 2 1387 177 121 LYS HE3 H 2.96 0.02 2 1388 177 121 LYS CA C 57.28 0.25 1 1389 177 121 LYS CB C 33.33 0.25 1 1390 177 121 LYS CG C 24.45 0.25 1 1391 177 121 LYS CD C 28.58 0.25 1 1392 177 121 LYS CE C 41.67 0.25 1 1393 177 121 LYS N N 126.90 0.15 1 stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $M21-15N-c12e5 stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value _Residual_dipolar_coupling_value_error DHN 20 VAL N 20 VAL H -17.2 ? ? . . . DHN 21 VAL N 21 VAL H -15.2 ? ? . . . DHN 22 GLY N 22 GLY H -15.1 ? ? . . . DHN 23 VAL N 23 VAL H -20.0 ? ? . . . DHN 25 GLU N 25 GLU H -16.6 ? ? . . . DHN 26 SER N 26 SER H -18.0 ? ? . . . DHN 28 ILE N 28 ILE H -17.0 ? ? . . . DHN 37 GLN N 37 GLN H 15.1 ? ? . . . DHN 38 SER N 38 SER H -4.2 ? ? . . . DHN 39 ALA N 39 ALA H -4.6 ? ? . . . DHN 40 CYS N 40 CYS H 15.9 ? ? . . . DHN 42 ALA N 42 ALA H -4.3 ? ? . . . DHN 45 LYS N 45 LYS H 4.8 ? ? . . . DHN 46 LEU N 46 LEU H -1.3 ? ? . . . DHN 52 SER N 52 SER H 2.9 ? ? . . . DHN 53 ASP N 53 ASP H 7.6 ? ? . . . DHN 54 ASP N 54 ASP H 33.0 ? ? . . . DHN 55 ILE N 55 ILE H 7.7 ? ? . . . DHN 57 LYS N 57 LYS H 19.2 ? ? . . . DHN 58 LEU N 58 LEU H 27.6 ? ? . . . DHN 60 ASP N 60 ASP H 9.6 ? ? . . . DHN 62 GLU N 62 GLU H -1.4 ? ? . . . DHN 68 LYS N 68 LYS H 23.6 ? ? . . . DHN 69 ILE N 69 ILE H 14.4 ? ? . . . DHN 70 ARG N 70 ARG H -3.0 ? ? . . . DHN 71 VAL N 71 VAL H 15.5 ? ? . . . DHN 73 ASN N 73 ASN H 6.4 ? ? . . . DHN 74 THR N 74 THR H -5.4 ? ? . . . DHN 75 VAL N 75 VAL H 13.7 ? ? . . . DHN 77 SER N 77 SER H -3.2 ? ? . . . DHN 79 ILE N 79 ILE H 20.5 ? ? . . . DHN 80 GLU N 80 GLU H 8.2 ? ? . . . DHN 81 SER N 81 SER H -7.6 ? ? . . . DHN 82 ASN N 82 ASN H 8.0 ? ? . . . DHN 83 ARG N 83 ARG H 25.3 ? ? . . . DHN 84 LYS N 84 LYS H -2.8 ? ? . . . DHN 88 GLN N 88 GLN H -15.0 ? ? . . . DHN 89 THR N 89 THR H -17.1 ? ? . . . DHN 93 LEU N 93 LEU H -13.7 ? ? . . . DHN 95 ARG N 95 ARG H -9.4 ? ? . . . DHN 99 ASP N 99 ASP H -10.9 ? ? . . . DHN 100 VAL N 100 VAL H 10.2 ? ? . . . DHN 101 LEU N 101 LEU H 8.5 ? ? . . . DHN 102 LYS N 102 LYS H -6.1 ? ? . . . DHN 103 LYS N 103 LYS H -10.6 ? ? . . . DHN 104 THR N 104 THR H 10.0 ? ? . . . DHN 106 LYS N 106 LYS H -12.3 ? ? . . . DHN 107 ASN N 107 ASN H -7.3 ? ? . . . DHN 108 THR N 108 THR H 12.5 ? ? . . . DHN 109 LEU N 109 LEU H -7.0 ? ? . . . DHN 110 ASP N 110 ASP H -12.4 ? ? . . . DHN 112 HIS N 112 HIS H 1.5 ? ? . . . DHN 113 LYS N 113 LYS H -11.1 ? ? . . . DHN 114 SER N 114 SER H -10.3 ? ? . . . DHN 115 ILE N 115 ILE H 10.7 ? ? . . . DHN 116 THR N 116 THR H -7.2 ? ? . . . stop_ _Details . _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600.13 _Text_data_format . _Text_data . save_ save_RDC_list_2 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $M21-15N-gel stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value _Residual_dipolar_coupling_value_error DHN 20 VAL N 20 VAL H -8.7 ? ? . . . DHN 21 VAL N 21 VAL H -6.2 ? ? . . . DHN 23 VAL N 23 VAL H -9.7 ? ? . . . DHN 24 LEU N 24 LEU H -8.9 ? ? . . . DHN 25 GLU N 25 GLU H -9.6 ? ? . . . DHN 27 TYR N 27 TYR H -9.9 ? ? . . . DHN 28 ILE N 28 ILE H -11.1 ? ? . . . DHN 36 LYS N 36 LYS H -2.0 ? ? . . . DHN 37 GLN N 37 GLN H 9.0 ? ? . . . DHN 42 ALA N 42 ALA H -1.0 ? ? . . . DHN 45 LYS N 45 LYS H 3.8 ? ? . . . DHN 46 LEU N 46 LEU H 3.3 ? ? . . . DHN 47 LEU N 47 LEU H 8.3 ? ? . . . DHN 52 SER N 52 SER H -5.9 ? ? . . . DHN 53 ASP N 53 ASP H -4.2 ? ? . . . DHN 55 ILE N 55 ILE H -0.1 ? ? . . . DHN 56 LYS N 56 LYS H -5.4 ? ? . . . DHN 57 LYS N 57 LYS H 2.6 ? ? . . . DHN 60 ASP N 60 ASP H -6.3 ? ? . . . DHN 68 LYS N 68 LYS H 8.5 ? ? . . . DHN 69 ILE N 69 ILE H -1.9 ? ? . . . DHN 71 VAL N 71 VAL H -1.7 ? ? . . . DHN 72 TYR N 72 TYR H 5.5 ? ? . . . DHN 73 ASN N 73 ASN H -5.6 ? ? . . . DHN 75 VAL N 75 VAL H -0.5 ? ? . . . DHN 76 ILE N 76 ILE H 0.7 ? ? . . . DHN 79 ILE N 79 ILE H 2.7 ? ? . . . DHN 80 GLU N 80 GLU H -5.7 ? ? . . . DHN 81 SER N 81 SER H -11.6 ? ? . . . DHN 82 ASN N 82 ASN H -3.9 ? ? . . . DHN 84 LYS N 84 LYS H -8.2 ? ? . . . DHN 88 GLN N 88 GLN H -7.6 ? ? . . . DHN 95 ARG N 95 ARG H -7.7 ? ? . . . DHN 99 ASP N 99 ASP H -2.6 ? ? . . . DHN 100 VAL N 100 VAL H 1.3 ? ? . . . DHN 101 LEU N 101 LEU H 3.5 ? ? . . . DHN 102 LYS N 102 LYS H -0.8 ? ? . . . DHN 104 THR N 104 THR H 4.6 ? ? . . . DHN 105 ILE N 105 ILE H 0.6 ? ? . . . DHN 107 ASN N 107 ASN H -3.5 ? ? . . . DHN 109 LEU N 109 LEU H -2.8 ? ? . . . DHN 110 ASP N 110 ASP H -1.6 ? ? . . . DHN 112 HIS N 112 HIS H 2.6 ? ? . . . DHN 113 LYS N 113 LYS H -3.3 ? ? . . . stop_ _Details . _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600.13 _Text_data_format . _Text_data . save_