data_17306 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NRC consensus ankyrin repeat protein backbone and sidechain assignments ; _BMRB_accession_number 17306 _BMRB_flat_file_name bmr17306.str _Entry_type new _Submission_date 2010-11-17 _Accession_date 2010-11-17 _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 Aksel Tural . . 2 Majumdar Ananya . . 3 Barrick Doug . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 S2_parameters 1 T1_relaxation 1 T2_relaxation 1 heteronucl_NOE 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 529 "13C chemical shifts" 410 "15N chemical shifts" 103 "T1 relaxation values" 94 "T2 relaxation values" 94 "order parameters" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-03-21 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_NR1C_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The contribution of entropy, enthalpy, and hydrophobic desolvation to cooperativity in repeat-protein folding.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21397186 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aksel Tural . . 2 Majumdar Ananya . . 3 Barrick Doug . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 19 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 349 _Page_last 360 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NR1C _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NR1C_assembly $NR1C 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_NR1C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NR1C _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 115 _Mol_residue_sequence ; GHMWGSKDGNTPLHNAAKNG HAEEVKKLLSKGADVNARSK DGNTPLHLAAKNGHAEIVKL LLAKGADVNARSKDGNTPEH LAKKNGHHEIVKLLDAKGAD VNARSWGSSHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 MET 4 TRP 5 GLY 6 SER 7 LYS 8 ASP 9 GLY 10 ASN 11 THR 12 PRO 13 LEU 14 HIS 15 ASN 16 ALA 17 ALA 18 LYS 19 ASN 20 GLY 21 HIS 22 ALA 23 GLU 24 GLU 25 VAL 26 LYS 27 LYS 28 LEU 29 LEU 30 SER 31 LYS 32 GLY 33 ALA 34 ASP 35 VAL 36 ASN 37 ALA 38 ARG 39 SER 40 LYS 41 ASP 42 GLY 43 ASN 44 THR 45 PRO 46 LEU 47 HIS 48 LEU 49 ALA 50 ALA 51 LYS 52 ASN 53 GLY 54 HIS 55 ALA 56 GLU 57 ILE 58 VAL 59 LYS 60 LEU 61 LEU 62 LEU 63 ALA 64 LYS 65 GLY 66 ALA 67 ASP 68 VAL 69 ASN 70 ALA 71 ARG 72 SER 73 LYS 74 ASP 75 GLY 76 ASN 77 THR 78 PRO 79 GLU 80 HIS 81 LEU 82 ALA 83 LYS 84 LYS 85 ASN 86 GLY 87 HIS 88 HIS 89 GLU 90 ILE 91 VAL 92 LYS 93 LEU 94 LEU 95 ASP 96 ALA 97 LYS 98 GLY 99 ALA 100 ASP 101 VAL 102 ASN 103 ALA 104 ARG 105 SER 106 TRP 107 GLY 108 SER 109 SER 110 HIS 111 HIS 112 HIS 113 HIS 114 HIS 115 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 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 2L6B "Nrc Consensus Ankyrin Repeat Protein Solution Structure" 100.00 115 100.00 100.00 4.29e-72 GB ADR82636 "ankyrin repeat protein [synthetic construct]" 100.00 116 100.00 100.00 3.97e-72 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NR1C . . . . . . 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 $NR1C 'recombinant technology' . Escherichia coli . T7 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '25 mM NaPO4- 25 mM NaCl pH 6.5 25C' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NR1C 2 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'structure solution' refinement stop_ _Details . save_ save_UNIO _Saveframe_category software _Name UNIO _Version 2.0.1 loop_ _Vendor _Address _Electronic_address 'Dr. Torsten Herrmann' . http://perso.ens-lyon.fr/torsten.herrmann/Herrmann/Software.html stop_ loop_ _Task 'chemical shift assignment' 'structure solution' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Kurt Wuthrich' . http://cara.nmr.ch/doku.php/home stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version 2.24 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_ModelFree _Saveframe_category software _Name ModelFree _Version 4.2 loop_ _Vendor _Address _Electronic_address Palmer . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 5.5 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' 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 Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_NR1C_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6.5 . pH pressure 1 . atm 'ionic strength' 63 . mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_references _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 n/a indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 n/a 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D HNCO' '3D HCCH-TOCSY' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $NR1C_conditions _Chem_shift_reference_set_label $chemical_shift_references _Mol_system_component_name NR1C_assembly _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 4 4 TRP H H 8.254 0.020 1 2 4 4 TRP HA H 4.660 0.020 1 3 4 4 TRP HB2 H 3.263 0.020 1 4 4 4 TRP HB3 H 3.263 0.020 1 5 4 4 TRP C C 176.754 0.3 1 6 4 4 TRP CA C 57.014 0.3 1 7 4 4 TRP CB C 29.510 0.3 1 8 4 4 TRP N N 122.429 0.3 1 9 5 5 GLY H H 8.398 0.020 1 10 5 5 GLY HA2 H 3.897 0.020 1 11 5 5 GLY HA3 H 3.897 0.020 1 12 5 5 GLY C C 174.052 0.3 1 13 5 5 GLY CA C 45.218 0.3 1 14 5 5 GLY N N 110.533 0.3 1 15 6 6 SER H H 8.182 0.020 1 16 6 6 SER HA H 4.467 0.020 1 17 6 6 SER HB2 H 3.897 0.020 1 18 6 6 SER HB3 H 3.897 0.020 1 19 6 6 SER C C 176.111 0.3 1 20 6 6 SER CA C 58.317 0.3 1 21 6 6 SER CB C 63.967 0.3 1 22 6 6 SER N N 115.586 0.3 1 23 7 7 LYS H H 8.640 0.020 1 24 7 7 LYS HA H 4.252 0.020 1 25 7 7 LYS HB2 H 1.813 0.020 1 26 7 7 LYS HB3 H 1.813 0.020 1 27 7 7 LYS HG2 H 1.393 0.020 1 28 7 7 LYS HG3 H 1.393 0.020 1 29 7 7 LYS HD2 H 1.565 0.020 1 30 7 7 LYS HD3 H 1.565 0.020 1 31 7 7 LYS HE2 H 2.930 0.020 1 32 7 7 LYS HE3 H 2.930 0.020 1 33 7 7 LYS C C 175.043 0.3 1 34 7 7 LYS CA C 57.076 0.3 1 35 7 7 LYS CB C 32.242 0.3 1 36 7 7 LYS CG C 24.570 0.3 1 37 7 7 LYS CD C 29.038 0.3 1 38 7 7 LYS CE C 41.867 0.3 1 39 7 7 LYS N N 123.436 0.3 1 40 8 8 ASP H H 8.089 0.020 1 41 8 8 ASP HA H 4.477 0.020 1 42 8 8 ASP HB2 H 2.683 0.020 1 43 8 8 ASP HB3 H 2.683 0.020 1 44 8 8 ASP C C 177.153 0.3 1 45 8 8 ASP CA C 54.034 0.3 1 46 8 8 ASP CB C 40.810 0.3 1 47 8 8 ASP N N 117.564 0.3 1 48 9 9 GLY H H 8.352 0.020 1 49 9 9 GLY HA2 H 3.843 0.020 2 50 9 9 GLY HA3 H 3.801 0.020 2 51 9 9 GLY C C 173.357 0.3 1 52 9 9 GLY CA C 45.963 0.3 1 53 9 9 GLY N N 109.269 0.3 1 54 10 10 ASN H H 8.044 0.020 1 55 10 10 ASN HA H 3.854 0.020 1 56 10 10 ASN HB2 H 2.833 0.020 2 57 10 10 ASN HB3 H 2.414 0.020 2 58 10 10 ASN C C 175.635 0.3 1 59 10 10 ASN CA C 53.475 0.3 1 60 10 10 ASN CB C 38.140 0.3 1 61 10 10 ASN N N 119.301 0.3 1 62 11 11 THR H H 8.440 0.020 1 63 11 11 THR CA C 60.366 0.3 1 64 11 11 THR CB C 69.492 0.3 1 65 11 11 THR N N 117.887 0.3 1 66 12 12 PRO HA H 4.349 0.020 1 67 12 12 PRO HB2 H 2.414 0.020 1 68 12 12 PRO HB3 H 2.414 0.020 1 69 12 12 PRO HG2 H 2.124 0.020 1 70 12 12 PRO HG3 H 2.124 0.020 1 71 12 12 PRO C C 179.354 0.3 1 72 12 12 PRO CA C 65.818 0.3 1 73 12 12 PRO CB C 31.733 0.3 1 74 12 12 PRO CG C 27.957 0.3 1 75 12 12 PRO CD C 50.155 0.3 1 76 13 13 LEU H H 8.656 0.020 1 77 13 13 LEU HA H 4.005 0.020 1 78 13 13 LEU HB2 H 1.651 0.020 2 79 13 13 LEU HB3 H 1.350 0.020 2 80 13 13 LEU HG H 1.350 0.020 1 81 13 13 LEU HD1 H 0.888 0.020 1 82 13 13 LEU HD2 H 0.695 0.020 1 83 13 13 LEU C C 178.607 0.3 1 84 13 13 LEU CA C 57.672 0.3 1 85 13 13 LEU CB C 41.147 0.3 1 86 13 13 LEU CG C 27.597 0.3 1 87 13 13 LEU CD1 C 26.804 0.3 1 88 13 13 LEU CD2 C 24.786 0.3 1 89 13 13 LEU N N 119.136 0.3 1 90 14 14 HIS H H 7.852 0.020 1 91 14 14 HIS HA H 3.639 0.020 1 92 14 14 HIS HB2 H 3.403 0.020 2 93 14 14 HIS HB3 H 2.919 0.020 2 94 14 14 HIS C C 177.179 0.3 1 95 14 14 HIS CA C 63.662 0.3 1 96 14 14 HIS CB C 30.251 0.3 1 97 14 14 HIS N N 117.778 0.3 1 98 15 15 ASN H H 7.653 0.020 1 99 15 15 ASN HA H 4.306 0.020 1 100 15 15 ASN HB2 H 2.758 0.020 1 101 15 15 ASN HB3 H 2.758 0.020 1 102 15 15 ASN C C 176.677 0.3 1 103 15 15 ASN CA C 56.013 0.3 1 104 15 15 ASN CB C 37.683 0.3 1 105 15 15 ASN N N 115.519 0.3 1 106 16 16 ALA H H 8.358 0.020 1 107 16 16 ALA HA H 4.166 0.020 1 108 16 16 ALA HB H 1.426 0.020 1 109 16 16 ALA C C 178.659 0.3 1 110 16 16 ALA CA C 54.858 0.3 1 111 16 16 ALA CB C 18.633 0.3 1 112 16 16 ALA N N 122.154 0.3 1 113 17 17 ALA H H 8.073 0.020 1 114 17 17 ALA HA H 3.897 0.020 1 115 17 17 ALA HB H 1.383 0.020 1 116 17 17 ALA C C 178.105 0.3 1 117 17 17 ALA CA C 54.829 0.3 1 118 17 17 ALA CB C 19.011 0.3 1 119 17 17 ALA N N 118.707 0.3 1 120 18 18 LYS H H 8.294 0.020 1 121 18 18 LYS HA H 3.693 0.020 1 122 18 18 LYS HB2 H 1.909 0.020 1 123 18 18 LYS HB3 H 1.909 0.020 1 124 18 18 LYS HG2 H 1.350 0.020 1 125 18 18 LYS HG3 H 1.350 0.020 1 126 18 18 LYS HD2 H 1.608 0.020 1 127 18 18 LYS HD3 H 1.608 0.020 1 128 18 18 LYS HE2 H 2.941 0.020 1 129 18 18 LYS HE3 H 2.941 0.020 1 130 18 18 LYS C C 177.591 0.3 1 131 18 18 LYS CA C 58.611 0.3 1 132 18 18 LYS CB C 32.849 0.3 1 133 18 18 LYS CG C 23.922 0.3 1 134 18 18 LYS CD C 29.615 0.3 1 135 18 18 LYS CE C 41.650 0.3 1 136 18 18 LYS N N 115.637 0.3 1 137 19 19 ASN H H 7.459 0.020 1 138 19 19 ASN HA H 4.692 0.020 1 139 19 19 ASN HB2 H 2.468 0.020 2 140 19 19 ASN HB3 H 2.199 0.020 2 141 19 19 ASN C C 175.184 0.3 1 142 19 19 ASN CA C 52.838 0.3 1 143 19 19 ASN CB C 38.694 0.3 1 144 19 19 ASN N N 111.949 0.3 1 145 20 20 GLY H H 7.032 0.020 1 146 20 20 GLY HA2 H 2.941 0.020 1 147 20 20 GLY C C 174.386 0.3 1 148 20 20 GLY CA C 44.395 0.3 1 149 20 20 GLY N N 108.038 0.3 1 150 21 21 HIS H H 8.041 0.020 1 151 21 21 HIS HA H 4.950 0.020 1 152 21 21 HIS HB2 H 3.328 0.020 2 153 21 21 HIS HB3 H 2.984 0.020 2 154 21 21 HIS C C 174.579 0.3 1 155 21 21 HIS CA C 53.034 0.3 1 156 21 21 HIS CB C 28.983 0.3 1 157 21 21 HIS N N 120.867 0.3 1 158 22 22 ALA H H 8.256 0.020 1 159 22 22 ALA HA H 3.510 0.020 1 160 22 22 ALA HB H 1.329 0.020 1 161 22 22 ALA C C 178.813 0.3 1 162 22 22 ALA CA C 56.229 0.3 1 163 22 22 ALA CB C 18.127 0.3 1 164 22 22 ALA N N 128.535 0.3 1 165 23 23 GLU H H 8.871 0.020 1 166 23 23 GLU HA H 3.929 0.020 1 167 23 23 GLU HB2 H 2.049 0.020 1 168 23 23 GLU HB3 H 2.049 0.020 1 169 23 23 GLU HG2 H 2.318 0.020 1 170 23 23 GLU HG3 H 2.318 0.020 1 171 23 23 GLU C C 179.135 0.3 1 172 23 23 GLU CA C 59.260 0.3 1 173 23 23 GLU CB C 28.375 0.3 1 174 23 23 GLU CG C 36.173 0.3 1 175 23 23 GLU N N 116.820 0.3 1 176 24 24 GLU H H 7.488 0.020 1 177 24 24 GLU HA H 4.091 0.020 1 178 24 24 GLU HB2 H 1.888 0.020 1 179 24 24 GLU HB3 H 1.888 0.020 1 180 24 24 GLU HG2 H 2.167 0.020 1 181 24 24 GLU HG3 H 2.167 0.020 1 182 24 24 GLU C C 178.569 0.3 1 183 24 24 GLU CA C 58.394 0.3 1 184 24 24 GLU CB C 29.024 0.3 1 185 24 24 GLU CG C 34.876 0.3 1 186 24 24 GLU N N 120.851 0.3 1 187 25 25 VAL H H 7.973 0.020 1 188 25 25 VAL HA H 3.285 0.020 1 189 25 25 VAL HB H 2.199 0.020 1 190 25 25 VAL HG1 H 0.802 0.020 1 191 25 25 VAL HG2 H 0.802 0.020 1 192 25 25 VAL C C 176.973 0.3 1 193 25 25 VAL CA C 67.487 0.3 1 194 25 25 VAL CB C 30.612 0.3 1 195 25 25 VAL CG1 C 23.417 0.3 1 196 25 25 VAL CG2 C 21.832 0.3 1 197 25 25 VAL N N 118.671 0.3 1 198 26 26 LYS H H 8.071 0.020 1 199 26 26 LYS HA H 3.768 0.020 1 200 26 26 LYS HB2 H 1.866 0.020 1 201 26 26 LYS HB3 H 1.866 0.020 1 202 26 26 LYS HG2 H 1.404 0.020 1 203 26 26 LYS HG3 H 1.404 0.020 1 204 26 26 LYS HD2 H 1.576 0.020 1 205 26 26 LYS HD3 H 1.576 0.020 1 206 26 26 LYS HE2 H 2.812 0.020 1 207 26 26 LYS HE3 H 2.812 0.020 1 208 26 26 LYS C C 179.534 0.3 1 209 26 26 LYS CA C 60.343 0.3 1 210 26 26 LYS CB C 32.560 0.3 1 211 26 26 LYS CG C 25.939 0.3 1 212 26 26 LYS CD C 29.615 0.3 1 213 26 26 LYS CE C 41.939 0.3 1 214 26 26 LYS N N 117.784 0.3 1 215 27 27 LYS H H 7.898 0.020 1 216 27 27 LYS HA H 3.951 0.020 1 217 27 27 LYS HB2 H 1.866 0.020 1 218 27 27 LYS HB3 H 1.866 0.020 1 219 27 27 LYS HG2 H 1.286 0.020 1 220 27 27 LYS HG3 H 1.286 0.020 1 221 27 27 LYS HD2 H 1.544 0.020 1 222 27 27 LYS HD3 H 1.544 0.020 1 223 27 27 LYS HE2 H 2.876 0.020 1 224 27 27 LYS HE3 H 2.876 0.020 1 225 27 27 LYS C C 179.701 0.3 1 226 27 27 LYS CA C 59.404 0.3 1 227 27 27 LYS CB C 32.344 0.3 1 228 27 27 LYS CG C 24.714 0.3 1 229 27 27 LYS CD C 29.183 0.3 1 230 27 27 LYS CE C 41.650 0.3 1 231 27 27 LYS N N 120.349 0.3 1 232 28 28 LEU H H 8.599 0.020 1 233 28 28 LEU HA H 3.940 0.020 1 234 28 28 LEU HB2 H 1.866 0.020 2 235 28 28 LEU HB3 H 1.093 0.020 2 236 28 28 LEU HG H 1.093 0.020 1 237 28 28 LEU HD1 H 0.813 0.020 1 238 28 28 LEU HD2 H 0.630 0.020 1 239 28 28 LEU C C 180.473 0.3 1 240 28 28 LEU CA C 57.817 0.3 1 241 28 28 LEU CB C 41.652 0.3 1 242 28 28 LEU CG C 26.012 0.3 1 243 28 28 LEU CD1 C 22.192 0.3 1 244 28 28 LEU CD2 C 22.192 0.3 1 245 28 28 LEU N N 120.488 0.3 1 246 29 29 LEU H H 8.673 0.020 1 247 29 29 LEU HA H 4.080 0.020 1 248 29 29 LEU HB2 H 2.006 0.020 2 249 29 29 LEU HB3 H 1.372 0.020 2 250 29 29 LEU HG H 1.372 0.020 1 251 29 29 LEU HD1 H 0.695 0.020 1 252 29 29 LEU HD2 H 0.695 0.020 1 253 29 29 LEU C C 181.091 0.3 1 254 29 29 LEU CA C 57.817 0.3 1 255 29 29 LEU CB C 41.003 0.3 1 256 29 29 LEU CG C 26.084 0.3 1 257 29 29 LEU CD1 C 22.840 0.3 1 258 29 29 LEU CD2 C 22.840 0.3 1 259 29 29 LEU N N 119.045 0.3 1 260 30 30 SER H H 8.147 0.020 1 261 30 30 SER HA H 4.349 0.020 1 262 30 30 SER HB2 H 4.048 0.020 1 263 30 30 SER HB3 H 4.048 0.020 1 264 30 30 SER C C 175.236 0.3 1 265 30 30 SER CA C 61.208 0.3 1 266 30 30 SER CB C 62.652 0.3 1 267 30 30 SER N N 117.021 0.3 1 268 31 31 LYS H H 7.405 0.020 1 269 31 31 LYS HA H 4.445 0.020 1 270 31 31 LYS HB2 H 2.135 0.020 2 271 31 31 LYS HB3 H 1.791 0.020 2 272 31 31 LYS HG2 H 1.544 0.020 1 273 31 31 LYS HG3 H 1.544 0.020 1 274 31 31 LYS HD2 H 1.544 0.020 1 275 31 31 LYS HD3 H 1.544 0.020 1 276 31 31 LYS HE2 H 2.909 0.020 1 277 31 31 LYS HE3 H 2.909 0.020 1 278 31 31 LYS C C 176.857 0.3 1 279 31 31 LYS CA C 55.724 0.3 1 280 31 31 LYS CB C 32.343 0.3 1 281 31 31 LYS CG C 24.714 0.3 1 282 31 31 LYS CD C 28.894 0.3 1 283 31 31 LYS CE C 41.939 0.3 1 284 31 31 LYS N N 119.706 0.3 1 285 32 32 GLY H H 7.690 0.020 1 286 32 32 GLY HA2 H 4.252 0.020 2 287 32 32 GLY HA3 H 3.790 0.020 2 288 32 32 GLY C C 174.734 0.3 1 289 32 32 GLY CA C 45.477 0.3 1 290 32 32 GLY N N 106.334 0.3 1 291 33 33 ALA H H 7.676 0.020 1 292 33 33 ALA HA H 4.101 0.020 1 293 33 33 ALA HB H 1.179 0.020 1 294 33 33 ALA C C 176.497 0.3 1 295 33 33 ALA CA C 52.693 0.3 1 296 33 33 ALA CB C 19.859 0.3 1 297 33 33 ALA N N 122.432 0.3 1 298 34 34 ASP H H 8.161 0.020 1 299 34 34 ASP HA H 4.520 0.020 1 300 34 34 ASP HB2 H 2.769 0.020 1 301 34 34 ASP HB3 H 2.769 0.020 1 302 34 34 ASP C C 177.629 0.3 1 303 34 34 ASP CA C 53.676 0.3 1 304 34 34 ASP CB C 40.570 0.3 1 305 34 34 ASP N N 119.250 0.3 1 306 35 35 VAL H H 8.449 0.020 1 307 35 35 VAL HA H 3.575 0.020 1 308 35 35 VAL HB H 1.931 0.020 1 309 35 35 VAL HG1 H 0.867 0.020 1 310 35 35 VAL HG2 H 0.867 0.020 1 311 35 35 VAL C C 176.201 0.3 1 312 35 35 VAL CA C 63.445 0.3 1 313 35 35 VAL CB C 31.910 0.3 1 314 35 35 VAL CG1 C 21.687 0.3 1 315 35 35 VAL CG2 C 20.102 0.3 1 316 35 35 VAL N N 127.811 0.3 1 317 36 36 ASN H H 8.134 0.020 1 318 36 36 ASN HA H 5.079 0.020 1 319 36 36 ASN HB2 H 3.059 0.020 2 320 36 36 ASN HB3 H 2.608 0.020 2 321 36 36 ASN C C 174.129 0.3 1 322 36 36 ASN CA C 52.116 0.3 1 323 36 36 ASN CB C 39.704 0.3 1 324 36 36 ASN N N 116.239 0.3 1 325 37 37 ALA H H 6.702 0.020 1 326 37 37 ALA HA H 4.069 0.020 1 327 37 37 ALA HB H 1.458 0.020 1 328 37 37 ALA C C 175.905 0.3 1 329 37 37 ALA CA C 52.982 0.3 1 330 37 37 ALA CB C 19.787 0.3 1 331 37 37 ALA N N 122.030 0.3 1 332 38 38 ARG H H 8.603 0.020 1 333 38 38 ARG HA H 4.929 0.020 1 334 38 38 ARG HB2 H 1.856 0.020 1 335 38 38 ARG HB3 H 1.856 0.020 1 336 38 38 ARG HG2 H 1.737 0.020 1 337 38 38 ARG HG3 H 1.737 0.020 1 338 38 38 ARG HD2 H 3.081 0.020 1 339 38 38 ARG HD3 H 3.081 0.020 1 340 38 38 ARG C C 177.745 0.3 1 341 38 38 ARG CA C 53.559 0.3 1 342 38 38 ARG CB C 32.993 0.3 1 343 38 38 ARG CG C 27.165 0.3 1 344 38 38 ARG CD C 43.452 0.3 1 345 38 38 ARG N N 118.581 0.3 1 346 39 39 SER H H 8.597 0.020 1 347 39 39 SER HA H 4.424 0.020 1 348 39 39 SER HB2 H 4.166 0.020 2 349 39 39 SER HB3 H 2.941 0.020 2 350 39 39 SER C C 176.587 0.3 1 351 39 39 SER CA C 56.879 0.3 1 352 39 39 SER CB C 63.878 0.3 1 353 39 39 SER N N 118.340 0.3 1 354 40 40 LYS H H 8.404 0.020 1 355 40 40 LYS HA H 3.908 0.020 1 356 40 40 LYS HB2 H 1.630 0.020 1 357 40 40 LYS HB3 H 1.630 0.020 1 358 40 40 LYS HG2 H 1.243 0.020 1 359 40 40 LYS HG3 H 1.243 0.020 1 360 40 40 LYS HD2 H 1.426 0.020 1 361 40 40 LYS HD3 H 1.426 0.020 1 362 40 40 LYS HE2 H 2.844 0.020 1 363 40 40 LYS HE3 H 2.844 0.020 1 364 40 40 LYS C C 177.153 0.3 1 365 40 40 LYS CA C 59.932 0.3 1 366 40 40 LYS CB C 31.745 0.3 1 367 40 40 LYS CG C 25.003 0.3 1 368 40 40 LYS CD C 29.183 0.3 1 369 40 40 LYS CE C 42.011 0.3 1 370 40 40 LYS N N 122.093 0.3 1 371 41 41 ASP H H 7.937 0.020 1 372 41 41 ASP HA H 4.563 0.020 1 373 41 41 ASP HB2 H 2.726 0.020 2 374 41 41 ASP HB3 H 2.672 0.020 2 375 41 41 ASP C C 177.462 0.3 1 376 41 41 ASP CA C 53.102 0.3 1 377 41 41 ASP CB C 40.003 0.3 1 378 41 41 ASP N N 115.280 0.3 1 379 42 42 GLY H H 8.227 0.020 1 380 42 42 GLY HA2 H 4.091 0.020 2 381 42 42 GLY HA3 H 3.672 0.020 2 382 42 42 GLY C C 172.945 0.3 1 383 42 42 GLY CA C 45.652 0.3 1 384 42 42 GLY N N 108.222 0.3 1 385 43 43 ASN H H 7.692 0.020 1 386 43 43 ASN HA H 4.177 0.020 1 387 43 43 ASN HB2 H 2.898 0.020 2 388 43 43 ASN HB3 H 2.307 0.020 2 389 43 43 ASN C C 177.140 0.3 1 390 43 43 ASN CA C 54.158 0.3 1 391 43 43 ASN CB C 39.320 0.3 1 392 43 43 ASN N N 117.523 0.3 1 393 44 44 THR H H 9.949 0.020 1 394 44 44 THR CA C 59.683 0.3 1 395 44 44 THR CB C 69.741 0.3 1 396 44 44 THR N N 119.136 0.3 1 397 45 45 PRO HA H 3.886 0.020 1 398 45 45 PRO HB2 H 1.834 0.020 2 399 45 45 PRO HB3 H 1.684 0.020 2 400 45 45 PRO C C 176.819 0.3 1 401 45 45 PRO CA C 66.016 0.3 1 402 45 45 PRO CB C 31.311 0.3 1 403 45 45 PRO CG C 27.237 0.3 1 404 45 45 PRO CD C 49.362 0.3 1 405 46 46 LEU H H 8.776 0.020 1 406 46 46 LEU HA H 3.822 0.020 1 407 46 46 LEU HB2 H 1.705 0.020 2 408 46 46 LEU HB3 H 1.458 0.020 2 409 46 46 LEU HG H 1.356 0.020 1 410 46 46 LEU HD1 H 0.888 0.020 1 411 46 46 LEU HD2 H 0.673 0.020 1 412 46 46 LEU C C 178.697 0.3 1 413 46 46 LEU CA C 57.817 0.3 1 414 46 46 LEU CB C 41.003 0.3 1 415 46 46 LEU CG C 26.372 0.3 1 416 46 46 LEU CD1 C 25.147 0.3 1 417 46 46 LEU CD2 C 25.147 0.3 1 418 46 46 LEU N N 116.503 0.3 1 419 47 47 HIS H H 7.777 0.020 1 420 47 47 HIS HA H 3.650 0.020 1 421 47 47 HIS HB2 H 3.005 0.020 1 422 47 47 HIS HB3 H 3.005 0.020 1 423 47 47 HIS C C 177.127 0.3 1 424 47 47 HIS CA C 64.095 0.3 1 425 47 47 HIS CB C 31.261 0.3 1 426 47 47 HIS N N 116.357 0.3 1 427 48 48 LEU H H 7.118 0.020 1 428 48 48 LEU HA H 3.962 0.020 1 429 48 48 LEU HB2 H 1.974 0.020 2 430 48 48 LEU HB3 H 1.254 0.020 2 431 48 48 LEU HG H 1.165 0.020 1 432 48 48 LEU HD1 H 0.845 0.020 1 433 48 48 LEU HD2 H 0.845 0.020 1 434 48 48 LEU C C 178.749 0.3 1 435 48 48 LEU CA C 57.095 0.3 1 436 48 48 LEU CB C 41.003 0.3 1 437 48 48 LEU CG C 26.876 0.3 1 438 48 48 LEU CD1 C 24.282 0.3 1 439 48 48 LEU CD2 C 21.615 0.3 1 440 48 48 LEU N N 114.412 0.3 1 441 49 49 ALA H H 8.307 0.020 1 442 49 49 ALA HA H 4.134 0.020 1 443 49 49 ALA HB H 1.361 0.020 1 444 49 49 ALA C C 178.208 0.3 1 445 49 49 ALA CA C 54.642 0.3 1 446 49 49 ALA CB C 19.066 0.3 1 447 49 49 ALA N N 120.972 0.3 1 448 50 50 ALA H H 8.139 0.020 1 449 50 50 ALA HA H 3.822 0.020 1 450 50 50 ALA HB H 1.329 0.020 1 451 50 50 ALA C C 178.453 0.3 1 452 50 50 ALA CA C 54.901 0.3 1 453 50 50 ALA CB C 19.011 0.3 1 454 50 50 ALA N N 118.170 0.3 1 455 51 51 LYS H H 8.218 0.020 1 456 51 51 LYS HA H 3.596 0.020 1 457 51 51 LYS HB2 H 2.060 0.020 2 458 51 51 LYS HB3 H 1.834 0.020 2 459 51 51 LYS HG2 H 1.350 0.020 1 460 51 51 LYS HG3 H 1.350 0.020 1 461 51 51 LYS HD2 H 1.576 0.020 1 462 51 51 LYS HD3 H 1.576 0.020 1 463 51 51 LYS HE2 H 2.962 0.020 1 464 51 51 LYS HE3 H 2.962 0.020 1 465 51 51 LYS C C 176.909 0.3 1 466 51 51 LYS CA C 59.044 0.3 1 467 51 51 LYS CB C 33.282 0.3 1 468 51 51 LYS CG C 23.994 0.3 1 469 51 51 LYS CD C 29.759 0.3 1 470 51 51 LYS CE C 41.723 0.3 1 471 51 51 LYS N N 115.812 0.3 1 472 52 52 ASN H H 7.045 0.020 1 473 52 52 ASN HA H 4.746 0.020 1 474 52 52 ASN HB2 H 2.747 0.020 2 475 52 52 ASN HB3 H 2.608 0.020 2 476 52 52 ASN C C 174.567 0.3 1 477 52 52 ASN CA C 52.260 0.3 1 478 52 52 ASN CB C 38.694 0.3 1 479 52 52 ASN N N 110.792 0.3 1 480 53 53 GLY H H 6.942 0.020 1 481 53 53 GLY HA2 H 2.747 0.020 1 482 53 53 GLY C C 174.232 0.3 1 483 53 53 GLY CA C 44.322 0.3 1 484 53 53 GLY N N 107.148 0.3 1 485 54 54 HIS H H 7.803 0.020 1 486 54 54 HIS HA H 5.122 0.020 1 487 54 54 HIS HB2 H 3.166 0.020 2 488 54 54 HIS HB3 H 2.909 0.020 2 489 54 54 HIS C C 175.429 0.3 1 490 54 54 HIS CA C 53.704 0.3 1 491 54 54 HIS CB C 29.601 0.3 1 492 54 54 HIS N N 119.729 0.3 1 493 55 55 ALA H H 8.202 0.020 1 494 55 55 ALA HA H 3.510 0.020 1 495 55 55 ALA HB H 1.350 0.020 1 496 55 55 ALA C C 178.646 0.3 1 497 55 55 ALA CA C 56.301 0.3 1 498 55 55 ALA CB C 18.344 0.3 1 499 55 55 ALA N N 129.202 0.3 1 500 56 56 GLU H H 8.966 0.020 1 501 56 56 GLU HA H 3.951 0.020 1 502 56 56 GLU HB2 H 2.027 0.020 1 503 56 56 GLU HB3 H 2.027 0.020 1 504 56 56 GLU HG2 H 2.264 0.020 1 505 56 56 GLU HG3 H 2.264 0.020 1 506 56 56 GLU C C 179.418 0.3 1 507 56 56 GLU CA C 59.116 0.3 1 508 56 56 GLU CB C 28.375 0.3 1 509 56 56 GLU CG C 35.669 0.3 1 510 56 56 GLU N N 116.490 0.3 1 511 57 57 ILE H H 7.225 0.020 1 512 57 57 ILE HA H 3.607 0.020 1 513 57 57 ILE HB H 2.060 0.020 1 514 57 57 ILE HG12 H 1.619 0.020 2 515 57 57 ILE HG13 H 1.060 0.020 2 516 57 57 ILE HG2 H 0.856 0.020 1 517 57 57 ILE HD1 H 0.630 0.020 1 518 57 57 ILE C C 177.166 0.3 1 519 57 57 ILE CA C 63.806 0.3 1 520 57 57 ILE CB C 36.312 0.3 1 521 57 57 ILE CG1 C 29.615 0.3 1 522 57 57 ILE CG2 C 18.949 0.3 1 523 57 57 ILE CD1 C 11.998 0.3 1 524 57 57 ILE N N 117.258 0.3 1 525 58 58 VAL H H 8.046 0.020 1 526 58 58 VAL HA H 3.231 0.020 1 527 58 58 VAL HB H 2.328 0.020 1 528 58 58 VAL HG1 H 0.792 0.020 1 529 58 58 VAL HG2 H 0.792 0.020 1 530 58 58 VAL C C 176.754 0.3 1 531 58 58 VAL CA C 67.775 0.3 1 532 58 58 VAL CB C 30.395 0.3 1 533 58 58 VAL CG1 C 22.696 0.3 1 534 58 58 VAL CG2 C 21.255 0.3 1 535 58 58 VAL N N 120.669 0.3 1 536 59 59 LYS H H 7.848 0.020 1 537 59 59 LYS HA H 3.790 0.020 1 538 59 59 LYS HB2 H 1.856 0.020 1 539 59 59 LYS HB3 H 1.856 0.020 1 540 59 59 LYS HG2 H 1.393 0.020 1 541 59 59 LYS HG3 H 1.393 0.020 1 542 59 59 LYS HD2 H 1.608 0.020 1 543 59 59 LYS HD3 H 1.608 0.020 1 544 59 59 LYS HE2 H 2.758 0.020 1 545 59 59 LYS HE3 H 2.758 0.020 1 546 59 59 LYS C C 179.405 0.3 1 547 59 59 LYS CA C 60.559 0.3 1 548 59 59 LYS CB C 32.488 0.3 1 549 59 59 LYS CG C 26.012 0.3 1 550 59 59 LYS CD C 29.687 0.3 1 551 59 59 LYS CE C 42.011 0.3 1 552 59 59 LYS N N 116.828 0.3 1 553 60 60 LEU H H 7.634 0.020 1 554 60 60 LEU HA H 4.015 0.020 1 555 60 60 LEU HB2 H 1.877 0.020 2 556 60 60 LEU HB3 H 1.264 0.020 2 557 60 60 LEU HG H 1.264 0.020 1 558 60 60 LEU HD1 H 0.781 0.020 1 559 60 60 LEU HD2 H 0.781 0.020 1 560 60 60 LEU C C 179.109 0.3 1 561 60 60 LEU CA C 57.600 0.3 1 562 60 60 LEU CB C 42.518 0.3 1 563 60 60 LEU CG C 25.939 0.3 1 564 60 60 LEU CD1 C 23.057 0.3 1 565 60 60 LEU CD2 C 23.057 0.3 1 566 60 60 LEU N N 119.781 0.3 1 567 61 61 LEU H H 8.328 0.020 1 568 61 61 LEU HA H 3.833 0.020 1 569 61 61 LEU HB2 H 1.823 0.020 2 570 61 61 LEU HB3 H 1.114 0.020 2 571 61 61 LEU HG H 1.058 0.020 1 572 61 61 LEU HD1 H 0.630 0.020 1 573 61 61 LEU HD2 H 0.630 0.020 1 574 61 61 LEU C C 179.958 0.3 1 575 61 61 LEU CA C 57.529 0.3 1 576 61 61 LEU CB C 40.642 0.3 1 577 61 61 LEU CG C 26.660 0.3 1 578 61 61 LEU CD1 C 22.696 0.3 1 579 61 61 LEU CD2 C 22.696 0.3 1 580 61 61 LEU N N 116.645 0.3 1 581 62 62 LEU H H 8.700 0.020 1 582 62 62 LEU HA H 3.929 0.020 1 583 62 62 LEU HB2 H 1.898 0.020 2 584 62 62 LEU HB3 H 1.415 0.020 2 585 62 62 LEU HG H 1.415 0.020 1 586 62 62 LEU HD1 H 0.706 0.020 1 587 62 62 LEU HD2 H 0.706 0.020 1 588 62 62 LEU C C 180.718 0.3 1 589 62 62 LEU CA C 58.033 0.3 1 590 62 62 LEU CB C 41.364 0.3 1 591 62 62 LEU CG C 26.156 0.3 1 592 62 62 LEU CD1 C 23.057 0.3 1 593 62 62 LEU CD2 C 23.057 0.3 1 594 62 62 LEU N N 119.768 0.3 1 595 63 63 ALA H H 7.736 0.020 1 596 63 63 ALA HA H 4.220 0.020 1 597 63 63 ALA HB H 1.533 0.020 1 598 63 63 ALA C C 178.363 0.3 1 599 63 63 ALA CA C 54.137 0.3 1 600 63 63 ALA CB C 17.911 0.3 1 601 63 63 ALA N N 120.872 0.3 1 602 64 64 LYS H H 7.210 0.020 1 603 64 64 LYS HA H 4.553 0.020 1 604 64 64 LYS HB2 H 2.199 0.020 2 605 64 64 LYS HB3 H 1.716 0.020 2 606 64 64 LYS HD2 H 1.587 0.020 1 607 64 64 LYS HD3 H 1.587 0.020 1 608 64 64 LYS HE2 H 2.930 0.020 1 609 64 64 LYS HE3 H 2.930 0.020 1 610 64 64 LYS C C 175.956 0.3 1 611 64 64 LYS CA C 53.198 0.3 1 612 64 64 LYS CB C 32.055 0.3 1 613 64 64 LYS CG C 25.147 0.3 1 614 64 64 LYS CD C 27.813 0.3 1 615 64 64 LYS CE C 42.155 0.3 1 616 64 64 LYS N N 116.463 0.3 1 617 65 65 GLY H H 7.577 0.020 1 618 65 65 GLY HA2 H 4.177 0.020 2 619 65 65 GLY HA3 H 3.758 0.020 2 620 65 65 GLY C C 175.493 0.3 1 621 65 65 GLY CA C 45.694 0.3 1 622 65 65 GLY N N 104.585 0.3 1 623 66 66 ALA H H 7.854 0.020 1 624 66 66 ALA HA H 4.220 0.020 1 625 66 66 ALA HB H 1.082 0.020 1 626 66 66 ALA C C 176.420 0.3 1 627 66 66 ALA CA C 52.549 0.3 1 628 66 66 ALA CB C 20.292 0.3 1 629 66 66 ALA N N 122.635 0.3 1 630 67 67 ASP H H 8.777 0.020 1 631 67 67 ASP HA H 4.596 0.020 1 632 67 67 ASP HB2 H 2.758 0.020 2 633 67 67 ASP HB3 H 2.672 0.020 2 634 67 67 ASP C C 177.951 0.3 1 635 67 67 ASP CA C 53.099 0.3 1 636 67 67 ASP CB C 40.570 0.3 1 637 67 67 ASP N N 120.970 0.3 1 638 68 68 VAL H H 8.420 0.020 1 639 68 68 VAL HA H 3.639 0.020 1 640 68 68 VAL HB H 2.178 0.020 1 641 68 68 VAL HG1 H 0.921 0.020 1 642 68 68 VAL HG2 H 0.921 0.020 1 643 68 68 VAL C C 175.146 0.3 1 644 68 68 VAL CA C 63.662 0.3 1 645 68 68 VAL CB C 31.405 0.3 1 646 68 68 VAL CG1 C 21.976 0.3 1 647 68 68 VAL CG2 C 19.453 0.3 1 648 68 68 VAL N N 124.182 0.3 1 649 69 69 ASN H H 8.300 0.020 1 650 69 69 ASN HA H 4.800 0.020 1 651 69 69 ASN HB2 H 2.866 0.020 2 652 69 69 ASN HB3 H 2.758 0.020 2 653 69 69 ASN C C 174.644 0.3 1 654 69 69 ASN CA C 52.188 0.3 1 655 69 69 ASN CB C 39.199 0.3 1 656 69 69 ASN N N 115.896 0.3 1 657 70 70 ALA H H 6.666 0.020 1 658 70 70 ALA HA H 3.983 0.020 1 659 70 70 ALA HB H 1.361 0.020 1 660 70 70 ALA C C 175.635 0.3 1 661 70 70 ALA CA C 52.910 0.3 1 662 70 70 ALA CB C 19.426 0.3 1 663 70 70 ALA N N 123.184 0.3 1 664 71 71 ARG H H 8.767 0.020 1 665 71 71 ARG HA H 5.004 0.020 1 666 71 71 ARG HB2 H 1.694 0.020 1 667 71 71 ARG HB3 H 1.694 0.020 1 668 71 71 ARG HG2 H 1.555 0.020 1 669 71 71 ARG HG3 H 1.555 0.020 1 670 71 71 ARG HD2 H 3.145 0.020 1 671 71 71 ARG HD3 H 3.145 0.020 1 672 71 71 ARG C C 177.771 0.3 1 673 71 71 ARG CA C 53.992 0.3 1 674 71 71 ARG CB C 32.921 0.3 1 675 71 71 ARG CG C 28.029 0.3 1 676 71 71 ARG CD C 43.524 0.3 1 677 71 71 ARG N N 120.467 0.3 1 678 72 72 SER H H 8.735 0.020 1 679 72 72 SER HA H 4.306 0.020 1 680 72 72 SER HB2 H 4.080 0.020 2 681 72 72 SER HB3 H 3.091 0.020 2 682 72 72 SER C C 176.175 0.3 1 683 72 72 SER CA C 57.240 0.3 1 684 72 72 SER CB C 63.590 0.3 1 685 72 72 SER N N 119.373 0.3 1 686 73 73 LYS H H 8.435 0.020 1 687 73 73 LYS HA H 4.037 0.020 1 688 73 73 LYS HB2 H 1.748 0.020 1 689 73 73 LYS HB3 H 1.748 0.020 1 690 73 73 LYS HG2 H 1.350 0.020 1 691 73 73 LYS HG3 H 1.350 0.020 1 692 73 73 LYS HD2 H 1.512 0.020 1 693 73 73 LYS HD3 H 1.512 0.020 1 694 73 73 LYS HE2 H 2.952 0.020 1 695 73 73 LYS HE3 H 2.952 0.020 1 696 73 73 LYS C C 177.346 0.3 1 697 73 73 LYS CA C 59.910 0.3 1 698 73 73 LYS CB C 31.622 0.3 1 699 73 73 LYS CG C 25.651 0.3 1 700 73 73 LYS CD C 29.110 0.3 1 701 73 73 LYS CE C 42.011 0.3 1 702 73 73 LYS N N 121.660 0.3 1 703 74 74 ASP H H 8.010 0.020 1 704 74 74 ASP HA H 4.499 0.020 1 705 74 74 ASP HB2 H 2.780 0.020 2 706 74 74 ASP HB3 H 2.629 0.020 2 707 74 74 ASP C C 176.458 0.3 1 708 74 74 ASP CA C 53.351 0.3 1 709 74 74 ASP CB C 39.941 0.3 1 710 74 74 ASP N N 115.865 0.3 1 711 75 75 GLY H H 7.985 0.020 1 712 75 75 GLY HA2 H 4.263 0.020 2 713 75 75 GLY HA3 H 3.607 0.020 2 714 75 75 GLY C C 174.168 0.3 1 715 75 75 GLY CA C 45.218 0.3 1 716 75 75 GLY N N 106.996 0.3 1 717 76 76 ASN H H 7.546 0.020 1 718 76 76 ASN HA H 5.337 0.020 1 719 76 76 ASN HB2 H 2.855 0.020 2 720 76 76 ASN HB3 H 2.597 0.020 2 721 76 76 ASN C C 177.359 0.3 1 722 76 76 ASN CA C 53.785 0.3 1 723 76 76 ASN CB C 40.499 0.3 1 724 76 76 ASN N N 116.653 0.3 1 725 77 77 THR H H 9.150 0.020 1 726 77 77 THR CA C 59.621 0.3 1 727 77 77 THR CB C 68.437 0.3 1 728 77 77 THR N N 117.182 0.3 1 729 78 78 PRO HA H 3.962 0.020 1 730 78 78 PRO HB2 H 1.802 0.020 1 731 78 78 PRO HB3 H 1.802 0.020 1 732 78 78 PRO HG2 H 1.619 0.020 1 733 78 78 PRO HG3 H 1.619 0.020 1 734 78 78 PRO C C 177.037 0.3 1 735 78 78 PRO CA C 66.078 0.3 1 736 78 78 PRO CB C 30.938 0.3 1 737 78 78 PRO CG C 26.948 0.3 1 738 78 78 PRO CD C 49.218 0.3 1 739 79 79 GLU H H 8.714 0.020 1 740 79 79 GLU HA H 3.543 0.020 1 741 79 79 GLU HB2 H 2.060 0.020 2 742 79 79 GLU HB3 H 1.791 0.020 2 743 79 79 GLU HG2 H 2.199 0.020 1 744 79 79 GLU HG3 H 2.199 0.020 1 745 79 79 GLU C C 177.398 0.3 1 746 79 79 GLU CA C 59.982 0.3 1 747 79 79 GLU CB C 28.735 0.3 1 748 79 79 GLU CG C 35.669 0.3 1 749 79 79 GLU N N 117.442 0.3 1 750 80 80 HIS H H 7.676 0.020 1 751 80 80 HIS HA H 4.209 0.020 1 752 80 80 HIS HB2 H 3.457 0.020 2 753 80 80 HIS HB3 H 3.220 0.020 2 754 80 80 HIS C C 179.096 0.3 1 755 80 80 HIS CA C 59.477 0.3 1 756 80 80 HIS CB C 31.622 0.3 1 757 80 80 HIS N N 118.521 0.3 1 758 81 81 LEU H H 7.589 0.020 1 759 81 81 LEU HA H 4.015 0.020 1 760 81 81 LEU HB2 H 2.124 0.020 2 761 81 81 LEU HB3 H 1.200 0.020 2 762 81 81 LEU HG H 1.011 0.020 1 763 81 81 LEU HD1 H 0.867 0.020 1 764 81 81 LEU HD2 H 0.867 0.020 1 765 81 81 LEU C C 179.225 0.3 1 766 81 81 LEU CA C 57.095 0.3 1 767 81 81 LEU CB C 41.580 0.3 1 768 81 81 LEU CG C 26.948 0.3 1 769 81 81 LEU CD1 C 22.048 0.3 1 770 81 81 LEU CD2 C 22.048 0.3 1 771 81 81 LEU N N 116.349 0.3 1 772 82 82 ALA H H 8.243 0.020 1 773 82 82 ALA HA H 4.123 0.020 1 774 82 82 ALA HB H 1.426 0.020 1 775 82 82 ALA C C 179.006 0.3 1 776 82 82 ALA CA C 54.930 0.3 1 777 82 82 ALA CB C 18.127 0.3 1 778 82 82 ALA N N 121.926 0.3 1 779 83 83 LYS H H 8.494 0.020 1 780 83 83 LYS HA H 3.682 0.020 1 781 83 83 LYS HB2 H 1.877 0.020 1 782 83 83 LYS HB3 H 1.877 0.020 1 783 83 83 LYS HG2 H 1.458 0.020 1 784 83 83 LYS HG3 H 1.458 0.020 1 785 83 83 LYS HD2 H 1.662 0.020 1 786 83 83 LYS HD3 H 1.662 0.020 1 787 83 83 LYS HE2 H 2.952 0.020 1 788 83 83 LYS HE3 H 2.952 0.020 1 789 83 83 LYS C C 180.447 0.3 1 790 83 83 LYS CA C 59.693 0.3 1 791 83 83 LYS CB C 32.416 0.3 1 792 83 83 LYS CG C 25.651 0.3 1 793 83 83 LYS CD C 29.471 0.3 1 794 83 83 LYS CE C 41.867 0.3 1 795 83 83 LYS N N 118.583 0.3 1 796 84 84 LYS H H 8.155 0.020 1 797 84 84 LYS HA H 3.972 0.020 1 798 84 84 LYS HB2 H 1.813 0.020 1 799 84 84 LYS HB3 H 1.813 0.020 1 800 84 84 LYS HG2 H 1.426 0.020 1 801 84 84 LYS HG3 H 1.426 0.020 1 802 84 84 LYS HD2 H 1.587 0.020 1 803 84 84 LYS HD3 H 1.587 0.020 1 804 84 84 LYS HE2 H 2.876 0.020 1 805 84 84 LYS HE3 H 2.876 0.020 1 806 84 84 LYS C C 177.282 0.3 1 807 84 84 LYS CA C 58.611 0.3 1 808 84 84 LYS CB C 32.055 0.3 1 809 84 84 LYS CG C 24.642 0.3 1 810 84 84 LYS CD C 29.110 0.3 1 811 84 84 LYS CE C 41.795 0.3 1 812 84 84 LYS N N 119.789 0.3 1 813 85 85 ASN H H 7.086 0.020 1 814 85 85 ASN HA H 4.703 0.020 1 815 85 85 ASN HB2 H 2.780 0.020 2 816 85 85 ASN HB3 H 2.554 0.020 2 817 85 85 ASN C C 173.833 0.3 1 818 85 85 ASN CA C 52.332 0.3 1 819 85 85 ASN CB C 39.415 0.3 1 820 85 85 ASN N N 113.916 0.3 1 821 86 86 GLY H H 7.422 0.020 1 822 86 86 GLY HA2 H 3.768 0.020 2 823 86 86 GLY HA3 H 3.489 0.020 2 824 86 86 GLY C C 174.335 0.3 1 825 86 86 GLY CA C 45.766 0.3 1 826 86 86 GLY N N 106.365 0.3 1 827 87 87 HIS H H 8.172 0.020 1 828 87 87 HIS HA H 5.251 0.020 1 829 87 87 HIS HB2 H 3.048 0.020 2 830 87 87 HIS HB3 H 2.995 0.020 2 831 87 87 HIS C C 176.909 0.3 1 832 87 87 HIS CA C 52.792 0.3 1 833 87 87 HIS CB C 28.331 0.3 1 834 87 87 HIS N N 119.858 0.3 1 835 88 88 HIS H H 7.743 0.020 1 836 88 88 HIS HA H 4.134 0.020 1 837 88 88 HIS HB2 H 3.124 0.020 1 838 88 88 HIS HB3 H 3.124 0.020 1 839 88 88 HIS C C 178.170 0.3 1 840 88 88 HIS CA C 59.837 0.3 1 841 88 88 HIS CB C 30.318 0.3 1 842 88 88 HIS N N 122.558 0.3 1 843 89 89 GLU H H 9.254 0.020 1 844 89 89 GLU HA H 4.112 0.020 1 845 89 89 GLU HB2 H 2.060 0.020 1 846 89 89 GLU HB3 H 2.060 0.020 1 847 89 89 GLU HG2 H 2.275 0.020 1 848 89 89 GLU HG3 H 2.275 0.020 1 849 89 89 GLU C C 179.276 0.3 1 850 89 89 GLU CA C 59.187 0.3 1 851 89 89 GLU CB C 28.331 0.3 1 852 89 89 GLU CG C 35.957 0.3 1 853 89 89 GLU N N 119.902 0.3 1 854 90 90 ILE H H 7.417 0.020 1 855 90 90 ILE HA H 3.650 0.020 1 856 90 90 ILE HB H 2.113 0.020 1 857 90 90 ILE HG12 H 1.694 0.020 1 858 90 90 ILE HG13 H 1.694 0.020 1 859 90 90 ILE HG2 H 0.845 0.020 1 860 90 90 ILE HD1 H 0.684 0.020 1 861 90 90 ILE C C 177.127 0.3 1 862 90 90 ILE CA C 63.951 0.3 1 863 90 90 ILE CB C 36.673 0.3 1 864 90 90 ILE CG1 C 29.831 0.3 1 865 90 90 ILE CG2 C 18.805 0.3 1 866 90 90 ILE CD1 C 12.431 0.3 1 867 90 90 ILE N N 119.013 0.3 1 868 91 91 VAL H H 7.670 0.020 1 869 91 91 VAL HA H 3.295 0.020 1 870 91 91 VAL HB H 2.328 0.020 1 871 91 91 VAL HG1 H 0.953 0.020 1 872 91 91 VAL HG2 H 0.953 0.020 1 873 91 91 VAL C C 177.269 0.3 1 874 91 91 VAL CA C 67.847 0.3 1 875 91 91 VAL CB C 31.189 0.3 1 876 91 91 VAL CG1 C 23.345 0.3 1 877 91 91 VAL CG2 C 21.183 0.3 1 878 91 91 VAL N N 120.837 0.3 1 879 92 92 LYS H H 7.325 0.020 1 880 92 92 LYS HA H 4.058 0.020 1 881 92 92 LYS HB2 H 1.866 0.020 1 882 92 92 LYS HB3 H 1.866 0.020 1 883 92 92 LYS HG2 H 1.458 0.020 1 884 92 92 LYS HG3 H 1.458 0.020 1 885 92 92 LYS HD2 H 1.565 0.020 1 886 92 92 LYS HD3 H 1.565 0.020 1 887 92 92 LYS HE2 H 2.898 0.020 1 888 92 92 LYS HE3 H 2.898 0.020 1 889 92 92 LYS C C 179.212 0.3 1 890 92 92 LYS CA C 59.044 0.3 1 891 92 92 LYS CB C 31.983 0.3 1 892 92 92 LYS CG C 24.786 0.3 1 893 92 92 LYS CD C 29.255 0.3 1 894 92 92 LYS CE C 41.795 0.3 1 895 92 92 LYS N N 115.974 0.3 1 896 93 93 LEU H H 7.434 0.020 1 897 93 93 LEU HA H 4.069 0.020 1 898 93 93 LEU HB2 H 1.941 0.020 2 899 93 93 LEU HB3 H 1.286 0.020 2 900 93 93 LEU C C 178.659 0.3 1 901 93 93 LEU CA C 57.023 0.3 1 902 93 93 LEU CB C 42.518 0.3 1 903 93 93 LEU CG C 25.939 0.3 1 904 93 93 LEU CD1 C 22.768 0.3 1 905 93 93 LEU CD2 C 22.768 0.3 1 906 93 93 LEU N N 118.558 0.3 1 907 94 94 LEU H H 7.847 0.020 1 908 94 94 LEU HA H 3.983 0.020 1 909 94 94 LEU HB2 H 1.780 0.020 2 910 94 94 LEU HB3 H 1.555 0.020 2 911 94 94 LEU HG H 0.630 0.020 1 912 94 94 LEU HD1 H 0.761 0.020 1 913 94 94 LEU HD2 H 0.641 0.020 1 914 94 94 LEU C C 177.745 0.3 1 915 94 94 LEU CA C 56.157 0.3 1 916 94 94 LEU CB C 41.292 0.3 1 917 94 94 LEU CG C 26.012 0.3 1 918 94 94 LEU CD1 C 23.633 0.3 1 919 94 94 LEU CD2 C 23.633 0.3 1 920 94 94 LEU N N 117.187 0.3 1 921 95 95 ASP H H 8.162 0.020 1 922 95 95 ASP HA H 4.456 0.020 1 923 95 95 ASP HB2 H 2.683 0.020 1 924 95 95 ASP HB3 H 2.683 0.020 1 925 95 95 ASP C C 177.102 0.3 1 926 95 95 ASP CA C 55.219 0.3 1 927 95 95 ASP CB C 40.872 0.3 1 928 95 95 ASP N N 120.399 0.3 1 929 96 96 ALA H H 7.898 0.020 1 930 96 96 ALA HA H 4.220 0.020 1 931 96 96 ALA HB H 1.447 0.020 1 932 96 96 ALA C C 178.749 0.3 1 933 96 96 ALA CA C 53.499 0.3 1 934 96 96 ALA CB C 18.560 0.3 1 935 96 96 ALA N N 123.393 0.3 1 936 97 97 LYS H H 7.991 0.020 1 937 97 97 LYS HA H 4.273 0.020 1 938 97 97 LYS HB2 H 1.877 0.020 1 939 97 97 LYS HB3 H 1.877 0.020 1 940 97 97 LYS HG2 H 1.447 0.020 1 941 97 97 LYS HG3 H 1.447 0.020 1 942 97 97 LYS HD2 H 1.651 0.020 1 943 97 97 LYS HD3 H 1.651 0.020 1 944 97 97 LYS HE2 H 3.016 0.020 1 945 97 97 LYS HE3 H 3.016 0.020 1 946 97 97 LYS C C 176.986 0.3 1 947 97 97 LYS CA C 56.374 0.3 1 948 97 97 LYS CB C 31.838 0.3 1 949 97 97 LYS CG C 24.498 0.3 1 950 97 97 LYS CD C 28.462 0.3 1 951 97 97 LYS CE C 42.155 0.3 1 952 97 97 LYS N N 118.412 0.3 1 953 98 98 GLY H H 8.227 0.020 1 954 98 98 GLY HA2 H 3.897 0.020 1 955 98 98 GLY HA3 H 3.897 0.020 1 956 98 98 GLY C C 174.193 0.3 1 957 98 98 GLY CA C 45.621 0.3 1 958 98 98 GLY N N 108.151 0.3 1 959 99 99 ALA H H 8.004 0.020 1 960 99 99 ALA HA H 4.263 0.020 1 961 99 99 ALA HB H 1.372 0.020 1 962 99 99 ALA C C 177.694 0.3 1 963 99 99 ALA CA C 52.621 0.3 1 964 99 99 ALA CB C 19.066 0.3 1 965 99 99 ALA N N 123.188 0.3 1 966 100 100 ASP H H 8.233 0.020 1 967 100 100 ASP HA H 4.563 0.020 1 968 100 100 ASP HB2 H 2.694 0.020 1 969 100 100 ASP HB3 H 2.694 0.020 1 970 100 100 ASP C C 177.012 0.3 1 971 100 100 ASP CA C 54.497 0.3 1 972 100 100 ASP CB C 40.931 0.3 1 973 100 100 ASP N N 119.445 0.3 1 974 101 101 VAL H H 8.067 0.020 1 975 101 101 VAL HA H 3.983 0.020 1 976 101 101 VAL HB H 2.124 0.020 1 977 101 101 VAL HG1 H 0.899 0.020 1 978 101 101 VAL HG2 H 0.899 0.020 1 979 101 101 VAL C C 176.432 0.3 1 980 101 101 VAL CA C 63.408 0.3 1 981 101 101 VAL CB C 32.118 0.3 1 982 101 101 VAL CG1 C 20.750 0.3 1 983 101 101 VAL CG2 C 20.246 0.3 1 984 101 101 VAL N N 120.111 0.3 1 985 102 102 ASN H H 8.368 0.020 1 986 102 102 ASN HA H 4.671 0.020 1 987 102 102 ASN HB2 H 2.769 0.020 1 988 102 102 ASN HB3 H 2.769 0.020 1 989 102 102 ASN C C 175.094 0.3 1 990 102 102 ASN CA C 53.599 0.3 1 991 102 102 ASN CB C 38.637 0.3 1 992 102 102 ASN N N 120.008 0.3 1 993 103 103 ALA H H 7.961 0.020 1 994 103 103 ALA HA H 4.166 0.020 1 995 103 103 ALA HB H 1.361 0.020 1 996 103 103 ALA C C 178.260 0.3 1 997 103 103 ALA CA C 52.916 0.3 1 998 103 103 ALA CB C 18.832 0.3 1 999 103 103 ALA N N 123.671 0.3 1 1000 104 104 ARG H H 8.117 0.020 1 1001 104 104 ARG HA H 4.209 0.020 1 1002 104 104 ARG HB2 H 1.651 0.020 1 1003 104 104 ARG HB3 H 1.651 0.020 1 1004 104 104 ARG HG2 H 1.479 0.020 1 1005 104 104 ARG HG3 H 1.479 0.020 1 1006 104 104 ARG HD2 H 3.027 0.020 1 1007 104 104 ARG HD3 H 3.027 0.020 1 1008 104 104 ARG C C 175.043 0.3 1 1009 104 104 ARG CA C 56.206 0.3 1 1010 104 104 ARG CB C 30.380 0.3 1 1011 104 104 ARG CG C 26.444 0.3 1 1012 104 104 ARG CD C 43.092 0.3 1 1013 104 104 ARG N N 119.007 0.3 1 1014 105 105 SER H H 8.113 0.020 1 1015 105 105 SER HA H 4.392 0.020 1 1016 105 105 SER HB2 H 3.801 0.020 1 1017 105 105 SER HB3 H 3.801 0.020 1 1018 105 105 SER CA C 58.442 0.3 1 1019 105 105 SER CB C 63.594 0.3 1 1020 105 105 SER N N 115.971 0.3 1 1021 106 106 TRP H H 8.145 0.020 1 1022 106 106 TRP HA H 4.628 0.020 1 1023 106 106 TRP HB2 H 3.263 0.020 1 1024 106 106 TRP HB3 H 3.263 0.020 1 1025 106 106 TRP C C 176.587 0.3 1 1026 106 106 TRP CA C 57.510 0.3 1 1027 106 106 TRP CB C 29.448 0.3 1 1028 106 106 TRP N N 123.029 0.3 1 1029 107 107 GLY H H 8.334 0.020 1 1030 107 107 GLY CA C 45.280 0.3 1 1031 107 107 GLY N N 109.933 0.3 1 1032 108 108 SER H H 8.180 0.020 1 1033 108 108 SER HA H 4.413 0.020 1 1034 108 108 SER HB2 H 3.843 0.020 1 1035 108 108 SER HB3 H 3.843 0.020 1 1036 108 108 SER CA C 58.317 0.3 1 1037 108 108 SER CB C 63.905 0.3 1 1038 108 108 SER N N 115.593 0.3 1 1039 109 109 SER H H 8.319 0.020 1 1040 109 109 SER CA C 58.317 0.3 1 1041 109 109 SER CB C 63.594 0.3 1 1042 109 109 SER N N 117.257 0.3 1 stop_ save_ save_heteronuclear_R1_list _Saveframe_category T1_relaxation _Details . loop_ _Software_label $CARA stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $NR1C_conditions _Spectrometer_frequency_1H 600 _T1_coherence_type NzHz _T1_value_units s-1 _Mol_system_component_name NR1C_assembly _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 6 SER N 1.506 0.033 2 7 LYS N 1.366 0.031 3 8 ASP N 1.471 0.032 4 9 GLY N 1.476 0.032 5 10 ASN N 1.563 0.032 6 11 THR N 1.251 0.032 7 14 HIS N 1.447 0.031 8 15 ASN N 1.447 0.031 9 16 ALA N 1.556 0.030 10 17 ALA N 1.481 0.031 11 18 LYS N 1.422 0.031 12 19 ASN N 1.459 0.032 13 20 GLY N 1.516 0.031 14 21 HIS N 1.465 0.031 15 22 ALA N 1.568 0.032 16 23 GLU N 1.594 0.033 17 24 GLU N 1.515 0.031 18 25 VAL N 1.526 0.032 19 26 LYS N 1.515 0.032 20 27 LYS N 1.520 0.031 21 28 LEU N 1.512 0.032 22 29 LEU N 1.402 0.030 23 30 SER N 1.490 0.031 24 31 LYS N 1.408 0.033 25 32 GLY N 1.366 0.034 26 33 ALA N 1.507 0.031 27 34 ASP N 1.303 0.035 28 35 VAL N 1.450 0.032 29 36 ASN N 1.488 0.030 30 37 ALA N 1.481 0.032 31 38 ARG N 1.375 0.032 32 39 SER N 1.355 0.032 33 40 LYS N 1.549 0.033 34 41 ASP N 1.386 0.031 35 43 ASN N 1.409 0.033 36 44 THR N 1.361 0.031 37 46 LEU N 1.551 0.032 38 47 HIS N 1.502 0.031 39 48 LEU N 1.515 0.031 40 49 ALA N 1.566 0.029 41 50 ALA N 1.525 0.032 42 51 LYS N 1.467 0.032 43 52 ASN N 1.486 0.032 44 53 GLY N 1.523 0.031 45 54 HIS N 1.459 0.031 46 55 ALA N 1.527 0.032 47 56 GLU N 1.553 0.032 48 57 ILE N 1.455 0.032 49 58 VAL N 1.560 0.031 50 59 LYS N 1.525 0.033 51 60 LEU N 1.485 0.031 52 61 LEU N 1.525 0.032 53 62 LEU N 1.532 0.032 54 63 ALA N 1.511 0.031 55 64 LYS N 1.391 0.032 56 65 GLY N 1.358 0.032 57 66 ALA N 1.573 0.031 58 67 ASP N 1.205 0.033 59 68 VAL N 1.404 0.033 60 69 ASN N 1.518 0.031 61 70 ALA N 1.459 0.032 62 71 ARG N 1.394 0.033 63 72 SER N 1.425 0.033 64 73 LYS N 1.441 0.031 65 74 ASP N 1.508 0.032 66 75 GLY N 1.431 0.031 67 76 ASN N 1.286 0.032 68 77 THR N 1.422 0.031 69 79 GLU N 1.501 0.031 70 80 HIS N 1.573 0.032 71 81 LEU N 1.516 0.031 72 82 ALA N 1.535 0.032 73 83 LYS N 1.530 0.032 74 84 LYS N 1.558 0.032 75 85 ASN N 1.431 0.032 76 86 GLY N 1.491 0.030 77 87 HIS N 1.430 0.032 78 88 HIS N 1.525 0.032 79 89 GLU N 1.446 0.032 80 90 ILE N 1.410 0.031 81 91 VAL N 1.539 0.032 82 92 LYS N 1.443 0.032 83 93 LEU N 1.420 0.032 84 94 LEU N 1.484 0.032 85 95 ASP N 1.441 0.031 86 96 ALA N 1.508 0.031 87 97 LYS N 1.488 0.030 88 99 ALA N 1.599 0.032 89 100 ASP N 1.547 0.033 90 101 VAL N 1.537 0.033 91 102 ASN N 1.690 0.032 92 103 ALA N 1.691 0.032 93 104 ARG N 1.625 0.032 94 105 SER N 1.559 0.031 stop_ save_ save_heteronuclear_R2_list _Saveframe_category T2_relaxation _Details . loop_ _Software_label $CARA stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $NR1C_conditions _Spectrometer_frequency_1H 600 _T2_coherence_type NzHz _T2_value_units s-1 _Mol_system_component_name NR1C_assembly _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 6 SER N 11.205 0.092 . . 2 7 LYS N 5.531 0.148 . . 3 8 ASP N 6.926 0.118 . . 4 9 GLY N 8.363 0.106 . . 5 10 ASN N 7.845 0.107 . . 6 11 THR N 9.517 0.103 . . 7 14 HIS N 10.476 0.103 . . 8 15 ASN N 10.459 0.104 . . 9 16 ALA N 9.774 0.110 . . 10 17 ALA N 10.999 0.102 . . 11 18 LYS N 10.784 0.104 . . 12 19 ASN N 9.866 0.106 . . 13 20 GLY N 9.364 0.103 . . 14 21 HIS N 8.945 0.106 . . 15 22 ALA N 8.230 0.106 . . 16 23 GLU N 9.192 0.107 . . 17 24 GLU N 9.364 0.107 . . 18 25 VAL N 10.263 0.102 . . 19 26 LYS N 10.605 0.102 . . 20 27 LYS N 10.205 0.105 . . 21 28 LEU N 10.083 0.104 . . 22 29 LEU N 10.507 0.104 . . 23 30 SER N 9.913 0.106 . . 24 31 LYS N 9.637 0.106 . . 25 32 GLY N 7.949 0.110 . . 26 33 ALA N 8.573 0.108 . . 27 34 ASP N 10.143 0.107 . . 28 35 VAL N 9.155 0.103 . . 29 36 ASN N 10.122 0.104 . . 30 37 ALA N 9.656 0.103 . . 31 38 ARG N 8.641 0.111 . . 32 39 SER N 10.618 0.099 . . 33 40 LYS N 9.027 0.102 . . 34 41 ASP N 9.184 0.095 . . 35 43 ASN N 11.323 0.097 . . 36 44 THR N 9.636 0.101 . . 37 46 LEU N 10.073 0.103 . . 38 47 HIS N 10.544 0.101 . . 39 48 LEU N 10.539 0.101 . . 40 49 ALA N 9.932 0.104 . . 41 50 ALA N 10.494 0.104 . . 42 51 LYS N 10.289 0.106 . . 43 52 ASN N 9.807 0.107 . . 44 53 GLY N 9.364 0.102 . . 45 54 HIS N 9.777 0.109 . . 46 55 ALA N 8.819 0.103 . . 47 56 GLU N 9.827 0.097 . . 48 57 ILE N 9.909 0.101 . . 49 58 VAL N 10.439 0.108 . . 50 59 LYS N 10.917 0.101 . . 51 60 LEU N 10.810 0.104 . . 52 61 LEU N 10.495 0.103 . . 53 62 LEU N 10.820 0.105 . . 54 63 ALA N 10.513 0.099 . . 55 64 LYS N 10.336 0.109 . . 56 65 GLY N 9.645 0.111 . . 57 66 ALA N 9.471 0.102 . . 58 67 ASP N 10.585 0.101 . . 59 68 VAL N 9.469 0.105 . . 60 69 ASN N 9.918 0.108 . . 61 70 ALA N 9.547 0.105 . . 62 71 ARG N 8.408 0.113 . . 63 72 SER N 9.812 0.098 . . 64 73 LYS N 9.833 0.101 . . 65 74 ASP N 9.243 0.101 . . 66 75 GLY N 9.581 0.104 . . 67 76 ASN N 10.964 0.097 . . 68 77 THR N 10.110 0.098 . . 69 79 GLU N 10.121 0.104 . . 70 80 HIS N 9.562 0.100 . . 71 81 LEU N 10.593 0.108 . . 72 82 ALA N 9.584 0.106 . . 73 83 LYS N 10.358 0.106 . . 74 84 LYS N 10.826 0.104 . . 75 85 ASN N 9.765 0.100 . . 76 86 GLY N 9.534 0.103 . . 77 87 HIS N 9.010 0.107 . . 78 88 HIS N 8.573 0.104 . . 79 89 GLU N 10.259 0.102 . . 80 90 ILE N 9.446 0.104 . . 81 91 VAL N 9.891 0.107 . . 82 92 LYS N 11.233 0.103 . . 83 93 LEU N 10.878 0.105 . . 84 94 LEU N 10.686 0.107 . . 85 95 ASP N 9.441 0.108 . . 86 96 ALA N 7.500 0.127 . . 87 97 LYS N 6.879 0.129 . . 88 99 ALA N 3.556 0.155 . . 89 100 ASP N 3.150 0.168 . . 90 101 VAL N 3.494 0.183 . . 91 102 ASN N 2.543 0.170 . . 92 103 ALA N 0.897 0.199 . . 93 104 ARG N 0.979 0.207 . . 94 105 SER N 0.965 0.200 . . stop_ save_ save_heteronuclear_noe_list _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $NR1C_conditions _Spectrometer_frequency_1H 600 _Mol_system_component_name NR1C_assembly _Atom_one_atom_name H _Atom_two_atom_name N _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 2E+07 _NOE_reference_description 'There is no NOE reference value used. Instead the integrals of noe cross peaks are divided by non-noe cross peaks' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 6 SER 0.386 0.036 7 LYS 0.321 0.030 8 ASP 0.431 0.039 9 GLY 0.567 0.052 10 ASN 0.611 0.056 11 THR 0.717 0.065 14 HIS 0.773 0.072 15 ASN 0.695 0.063 16 ALA 0.745 0.068 17 ALA 0.752 0.070 18 LYS 0.718 0.066 19 ASN 0.668 0.058 20 GLY 0.760 0.066 21 HIS 0.733 0.065 22 ALA 0.749 0.071 23 GLU 0.750 0.069 24 GLU 0.698 0.062 25 VAL 0.741 0.068 26 LYS 0.737 0.067 27 LYS 0.705 0.065 28 LEU 0.741 0.069 29 LEU 0.505 0.047 30 SER 0.752 0.066 31 LYS 0.635 0.054 32 GLY 0.639 0.058 33 ALA 0.580 0.054 34 ASP 0.700 0.065 35 VAL 0.776 0.071 36 ASN 0.756 0.071 37 ALA 0.777 0.076 38 ARG 0.716 0.064 39 SER 0.756 0.070 40 LYS 0.733 0.068 41 ASP 0.712 0.063 43 ASN 0.720 0.066 44 THR 0.762 0.072 46 LEU 0.758 0.072 47 HIS 0.790 0.073 48 LEU 0.757 0.071 49 ALA 0.726 0.067 50 ALA 0.730 0.067 51 LYS 0.719 0.063 52 ASN 0.760 0.069 53 GLY 0.733 0.065 54 HIS 0.738 0.069 55 ALA 0.761 0.068 56 GLU 0.776 0.073 57 ILE 0.723 0.066 58 VAL 0.758 0.071 59 LYS 0.736 0.068 60 LEU 0.707 0.065 61 LEU 0.743 0.069 62 LEU 0.743 0.065 63 ALA 0.738 0.066 64 LYS 0.733 0.067 65 GLY 0.681 0.061 66 ALA 0.741 0.069 67 ASP 0.729 0.066 68 VAL 0.759 0.069 69 ASN 0.703 0.065 70 ALA 0.793 0.073 71 ARG 0.715 0.065 72 SER 0.744 0.067 73 LYS 0.753 0.069 74 ASP 0.739 0.067 75 GLY 0.726 0.069 76 ASN 0.652 0.059 77 THR 0.725 0.067 79 GLU 0.706 0.068 80 HIS 0.729 0.069 81 LEU 0.728 0.068 82 ALA 0.726 0.066 83 LYS 0.751 0.069 84 LYS 0.741 0.070 85 ASN 0.713 0.066 86 GLY 0.730 0.064 87 HIS 0.832 0.078 88 HIS 0.747 0.069 89 GLU 0.729 0.067 90 ILE 0.679 0.062 91 VAL 0.718 0.066 92 LYS 0.667 0.061 93 LEU 0.667 0.059 94 LEU 0.714 0.065 95 ASP 0.653 0.063 96 ALA 0.483 0.044 97 LYS 0.460 0.043 99 ALA 0.371 0.033 100 ASP 0.262 0.024 101 VAL 0.217 0.020 102 ASN 0.247 0.022 103 ALA 0.203 0.020 104 ARG 0.168 0.016 105 SER 0.121 0.011 stop_ save_ save_order_parameter_list _Saveframe_category S2_parameters _Details . loop_ _Software_label $CARA stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $NR1C_conditions _Mol_system_component_name NR1C_assembly _Tau_e_value_units . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 6 SER N . 0.785 0.017 . . . . . . . . . . . . 7 LYS N . 0.424 0.017 . . . . . . . . . . . . 8 ASP N . 0.560 0.013 . . . . . . . . . . . . 9 GLY N . 0.608 0.011 . . . . . . . . . . . . 10 ASN N . 0.543 0.018 . . . . . . . . . . . . 11 THR N . 0.734 0.019 . . . . . . . . . . . . 14 HIS N . 0.886 0.008 . . . . . . . . . . . . 15 ASN N . 0.894 0.008 . . . . . . . . . . . . 16 ALA N . 0.876 0.009 . . . . . . . . . . . . 17 ALA N . 0.876 0.018 . . . . . . . . . . . . 18 LYS N . 0.910 0.008 . . . . . . . . . . . . 19 ASN N . 0.852 0.009 . . . . . . . . . . . . 20 GLY N . 0.849 0.008 . . . . . . . . . . . . 21 HIS N . 0.809 0.008 . . . . . . . . . . . . 24 GLU N . 0.838 0.009 . . . . . . . . . . . . 25 VAL N . 0.910 0.008 . . . . . . . . . . . . 26 LYS N . 0.881 0.018 . . . . . . . . . . . . 27 LYS N . 0.909 0.008 . . . . . . . . . . . . 28 LEU N . 0.891 0.008 . . . . . . . . . . . . 29 LEU N . 0.761 0.019 . . . . . . . . . . . . 30 SER N . 0.876 0.009 . . . . . . . . . . . . 31 LYS N . 0.843 0.008 . . . . . . . . . . . . 32 GLY N . 0.696 0.014 . . . . . . . . . . . . 33 ALA N . 0.749 0.012 . . . . . . . . . . . . 34 ASP N . 0.835 0.008 . . . . . . . . . . . . 35 VAL N . 0.821 0.008 . . . . . . . . . . . . 36 ASN N . 0.890 0.008 . . . . . . . . . . . . 37 ALA N . 0.862 0.009 . . . . . . . . . . . . 38 ARG N . 0.778 0.009 . . . . . . . . . . . . 39 SER N . 0.809 0.021 . . . . . . . . . . . . 41 ASP N . 0.821 0.007 . . . . . . . . . . . . 43 ASN N . 0.886 0.007 . . . . . . . . . . . . 44 THR N . 0.834 0.008 . . . . . . . . . . . . 46 LEU N . 0.904 0.009 . . . . . . . . . . . . 47 HIS N . 0.912 0.008 . . . . . . . . . . . . 48 LEU N . 0.917 0.008 . . . . . . . . . . . . 49 ALA N . 0.895 0.009 . . . . . . . . . . . . 50 ALA N . 0.923 0.009 . . . . . . . . . . . . 51 LYS N . 0.892 0.008 . . . . . . . . . . . . 52 ASN N . 0.866 0.009 . . . . . . . . . . . . 53 GLY N . 0.849 0.008 . . . . . . . . . . . . 54 HIS N . 0.854 0.008 . . . . . . . . . . . . 56 GLU N . 0.869 0.008 . . . . . . . . . . . . 57 ILE N . 0.876 0.008 . . . . . . . . . . . . 58 VAL N . 0.924 0.009 . . . . . . . . . . . . 59 LYS N . 0.887 0.019 . . . . . . . . . . . . 60 LEU N . 0.934 0.008 . . . . . . . . . . . . 61 LEU N . 0.883 0.019 . . . . . . . . . . . . 62 LEU N . 0.891 0.019 . . . . . . . . . . . . 63 ALA N . 0.917 0.008 . . . . . . . . . . . . 64 LYS N . 0.887 0.009 . . . . . . . . . . . . 65 GLY N . 0.847 0.009 . . . . . . . . . . . . 66 ALA N . 0.864 0.008 . . . . . . . . . . . . 67 ASP N . 0.822 0.008 . . . . . . . . . . . . 68 VAL N . 0.812 0.008 . . . . . . . . . . . . 69 ASN N . 0.889 0.009 . . . . . . . . . . . . 70 ALA N . 0.845 0.008 . . . . . . . . . . . . 72 SER N . 0.855 0.008 . . . . . . . . . . . . 73 LYS N . 0.845 0.008 . . . . . . . . . . . . 74 ASP N . 0.835 0.008 . . . . . . . . . . . . 75 GLY N . 0.838 0.008 . . . . . . . . . . . . 76 ASN N . 0.862 0.007 . . . . . . . . . . . . 77 THR N . 0.864 0.008 . . . . . . . . . . . . 79 GLU N . 0.899 0.008 . . . . . . . . . . . . 80 HIS N . 0.862 0.008 . . . . . . . . . . . . 81 LEU N . 0.932 0.008 . . . . . . . . . . . . 82 ALA N . 0.860 0.009 . . . . . . . . . . . . 83 LYS N . 0.918 0.008 . . . . . . . . . . . . 84 LYS N . 0.951 0.008 . . . . . . . . . . . . 85 ASN N . 0.853 0.008 . . . . . . . . . . . . 86 GLY N . 0.858 0.008 . . . . . . . . . . . . 87 HIS N . 0.803 0.009 . . . . . . . . . . . . 89 GLU N . 0.892 0.008 . . . . . . . . . . . . 90 ILE N . 0.842 0.008 . . . . . . . . . . . . 91 VAL N . 0.882 0.008 . . . . . . . . . . . . 92 LYS N . 0.820 0.021 . . . . . . . . . . . . 93 LEU N . 0.920 0.008 . . . . . . . . . . . . 94 LEU N . 0.866 0.020 . . . . . . . . . . . . 95 ASP N . 0.842 0.008 . . . . . . . . . . . . 96 ALA N . 0.584 0.015 . . . . . . . . . . . . 97 LYS N . 0.523 0.015 . . . . . . . . . . . . 99 ALA N . 0.164 0.018 . . . . . . . . . . . . 100 ASP N . 0.129 0.020 . . . . . . . . . . . . 101 VAL N . 0.144 0.018 . . . . . . . . . . . . 102 ASN N . 0.040 0.019 . . . . . . . . . . . . stop_ _Tau_s_value_units . save_