data_16876 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1HN, 1HA, 13CA, 13CB, 13CO and 15N Chemical Shift Assignments for Intrinsically Disordered Dehydrin ERD14 ; _BMRB_accession_number 16876 _BMRB_flat_file_name bmr16876.str _Entry_type original _Submission_date 2010-04-16 _Accession_date 2010-04-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Intrinsically disordered dehydrin ERD14 under near-native conditions (10mM MES buffer, pH6.54)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Szalaine Agoston' Bianka . . 2 Tompa Peter . . 3 Perczel Andras . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T1rho_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 328 "13C chemical shifts" 532 "15N chemical shifts" 182 "T1 relaxation values" 167 "T1rho relaxation values" 167 "T2 relaxation values" 167 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-14 update BMRB 'update entry citation' 2011-05-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Full backbone assignment and dynamics of the intrinsically disordered dehydrin ERD14.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21336827 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Szalaine Agoston' Bianka . . 2 Kovacs Denes . . 3 Tompa Peter . . 4 Perczel Andras . . 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 189 _Page_last 193 _Year 2011 _Details . loop_ _Keyword Dehydrin ERD14 'intrinsically disordered' IUP NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ERD14 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ERD14 $ERD14 stop_ _System_molecular_weight 20786.3 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ERD14 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ERD14 _Molecular_mass 20786.3 _Mol_thiol_state 'not present' loop_ _Biological_function Chaperone 'Stress Response' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 185 _Mol_residue_sequence ; MAEEIKNVPEQEVPKVATEE SSAEVTDRGLFDFLGKKKDE TKPEETPIASEFEQKVHISE PEPEVKHESLLEKLHRSDSS SSSSSEEEGSDGEKRKKKKE KKKPTTEVEVKEEEKKGFME KLKEKLPGHKKPEDGSAVAA APVVVPPPVEEAHPVEKKGI LEKIKEKLPGYHPKTTVEEE KKDKE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLU 4 GLU 5 ILE 6 LYS 7 ASN 8 VAL 9 PRO 10 GLU 11 GLN 12 GLU 13 VAL 14 PRO 15 LYS 16 VAL 17 ALA 18 THR 19 GLU 20 GLU 21 SER 22 SER 23 ALA 24 GLU 25 VAL 26 THR 27 ASP 28 ARG 29 GLY 30 LEU 31 PHE 32 ASP 33 PHE 34 LEU 35 GLY 36 LYS 37 LYS 38 LYS 39 ASP 40 GLU 41 THR 42 LYS 43 PRO 44 GLU 45 GLU 46 THR 47 PRO 48 ILE 49 ALA 50 SER 51 GLU 52 PHE 53 GLU 54 GLN 55 LYS 56 VAL 57 HIS 58 ILE 59 SER 60 GLU 61 PRO 62 GLU 63 PRO 64 GLU 65 VAL 66 LYS 67 HIS 68 GLU 69 SER 70 LEU 71 LEU 72 GLU 73 LYS 74 LEU 75 HIS 76 ARG 77 SER 78 ASP 79 SER 80 SER 81 SER 82 SER 83 SER 84 SER 85 SER 86 GLU 87 GLU 88 GLU 89 GLY 90 SER 91 ASP 92 GLY 93 GLU 94 LYS 95 ARG 96 LYS 97 LYS 98 LYS 99 LYS 100 GLU 101 LYS 102 LYS 103 LYS 104 PRO 105 THR 106 THR 107 GLU 108 VAL 109 GLU 110 VAL 111 LYS 112 GLU 113 GLU 114 GLU 115 LYS 116 LYS 117 GLY 118 PHE 119 MET 120 GLU 121 LYS 122 LEU 123 LYS 124 GLU 125 LYS 126 LEU 127 PRO 128 GLY 129 HIS 130 LYS 131 LYS 132 PRO 133 GLU 134 ASP 135 GLY 136 SER 137 ALA 138 VAL 139 ALA 140 ALA 141 ALA 142 PRO 143 VAL 144 VAL 145 VAL 146 PRO 147 PRO 148 PRO 149 VAL 150 GLU 151 GLU 152 ALA 153 HIS 154 PRO 155 VAL 156 GLU 157 LYS 158 LYS 159 GLY 160 ILE 161 LEU 162 GLU 163 LYS 164 ILE 165 LYS 166 GLU 167 LYS 168 LEU 169 PRO 170 GLY 171 TYR 172 HIS 173 PRO 174 LYS 175 THR 176 THR 177 VAL 178 GLU 179 GLU 180 GLU 181 LYS 182 LYS 183 ASP 184 LYS 185 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 26636 ERD14 100.00 185 100.00 100.00 8.61e-118 DBJ BAA04569 "ERD14 protein [Arabidopsis thaliana]" 100.00 185 100.00 100.00 8.61e-118 DBJ BAE98985 "hypothetical protein [Arabidopsis thaliana]" 100.00 185 100.00 100.00 8.61e-118 GB AAF17644 "T23E18.12 [Arabidopsis thaliana]" 100.00 185 100.00 100.00 8.61e-118 GB AAG40050 "At1g76180 [Arabidopsis thaliana]" 100.00 185 99.46 99.46 1.96e-116 GB AAG41486 "putative dehydrin protein [Arabidopsis thaliana]" 100.00 185 100.00 100.00 8.61e-118 GB AAK00404 "putative dehydrin protein [Arabidopsis thaliana]" 100.00 185 100.00 100.00 8.61e-118 GB AAK62649 "At1g76180/T23E18_36 [Arabidopsis thaliana]" 100.00 185 100.00 100.00 8.61e-118 REF NP_001185408 "dehydrin ERD14 [Arabidopsis thaliana]" 100.00 185 100.00 100.00 8.61e-118 REF NP_177745 "dehydrin ERD14 [Arabidopsis thaliana]" 100.00 185 100.00 100.00 8.61e-118 SP P42763 "RecName: Full=Dehydrin ERD14" 100.00 185 100.00 100.00 8.61e-118 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $ERD14 'Thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 'ERD14 is expressed uniformly under stress conditions such as high salinity, dehydration and cold.' 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 _Details $ERD14 'recombinant technology' . Escherichia coli 'BL21 Star (DE3)pLysS' pET23b 'Vector_name_details: no His-tag because of a stop codon introduced at the end of the protein sequence.' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ERD14 1 mM '[U-99% 13C; U-99% 15N]' MES 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ERD14 1 mM '[U-99% 15N]' MES 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Swiss NMR' . www.nmr.ch stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . 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 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HNN_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNN' _Sample_label $sample_1 save_ save_3D_HN(CA)N_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)N' _Sample_label $sample_1 save_ save_3D_HNN-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNN-COSY' _Sample_label $sample_1 save_ save_13C-det._H(CA)CON_9 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-det. H(CA)CON' _Sample_label $sample_1 save_ save_R1-measurement_10 _Saveframe_category NMR_applied_experiment _Experiment_name R1-measurement _Sample_label $sample_2 save_ save_hetNOE_measurement_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'hetNOE measurement' _Sample_label $sample_2 save_ save_R2_measurement_12 _Saveframe_category NMR_applied_experiment _Experiment_name 'R2 measurement' _Sample_label $sample_2 save_ save_R1rho_measurement_13 _Saveframe_category NMR_applied_experiment _Experiment_name 'R1rho measurement' _Sample_label $sample_2 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' 10 . mM pH 6.54 . pH pressure 1 . atm temperature 288 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_ERD14 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $TOPSPIN $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D HNCACB' '3D HN(CO)CACB' '3D HNN' '3D HN(CA)N' '3D HNN-COSY' '13C-det. H(CA)CON' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ERD14 _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 3 3 GLU H H 8.745 . 1 2 3 3 GLU HA H 4.31 . 1 3 3 3 GLU N N 120.478 . 1 4 4 4 GLU H H 8.686 . 1 5 4 4 GLU HA H 4.275 . 1 6 4 4 GLU C C 176.21 . 1 7 4 4 GLU CA C 56.284 . 1 8 4 4 GLU CB C 30.237 . 1 9 4 4 GLU N N 123.468 . 1 10 5 5 ILE H H 8.441 . 1 11 5 5 ILE HA H 4.118 . 1 12 5 5 ILE C C 176.16 . 1 13 5 5 ILE CA C 60.904 . 1 14 5 5 ILE CB C 38.278 . 1 15 5 5 ILE N N 124.002 . 1 16 6 6 LYS H H 8.53 . 1 17 6 6 LYS HA H 4.354 . 1 18 6 6 LYS C C 176.004 . 1 19 6 6 LYS CA C 55.863 . 1 20 6 6 LYS CB C 33.178 . 1 21 6 6 LYS N N 126.489 . 1 22 7 7 ASN H H 8.564 . 1 23 7 7 ASN HA H 4.692 . 1 24 7 7 ASN C C 174.695 . 1 25 7 7 ASN CA C 53.108 . 1 26 7 7 ASN CB C 38.922 . 1 27 7 7 ASN N N 120.771 . 1 28 8 8 VAL H H 8.224 . 1 29 8 8 VAL HA H 4.412 . 1 30 8 8 VAL C C 174.376 . 1 31 8 8 VAL CA C 59.79 . 1 32 8 8 VAL CB C 32.533 . 1 33 8 8 VAL N N 122.26 . 1 34 9 9 PRO HA H 4.397 . 1 35 9 9 PRO C C 177.017 . 1 36 9 9 PRO CA C 63.046 . 1 37 9 9 PRO CB C 32.07 . 1 38 9 9 PRO N N 139.429 . 1 39 10 10 GLU H H 8.614 . 1 40 10 10 GLU HA H 4.197 . 1 41 10 10 GLU C C 176.626 . 1 42 10 10 GLU CA C 56.801 . 1 43 10 10 GLU CB C 30.071 . 1 44 10 10 GLU N N 121.277 . 1 45 11 11 GLN H H 8.439 . 1 46 11 11 GLN HA H 4.31 . 1 47 11 11 GLN C C 175.77 . 1 48 11 11 GLN CA C 55.63 . 1 49 11 11 GLN CB C 29.658 . 1 50 11 11 GLN N N 121.01 . 1 51 12 12 GLU H H 8.51 . 1 52 12 12 GLU HA H 4.28 . 1 53 12 12 GLU C C 176.243 . 1 54 12 12 GLU CA C 56.188 . 1 55 12 12 GLU CB C 30.306 . 1 56 12 12 GLU N N 123.017 . 1 57 13 13 VAL H H 8.338 . 1 58 13 13 VAL HA H 4.386 . 1 59 13 13 VAL C C 174.405 . 1 60 13 13 VAL CA C 59.908 . 1 61 13 13 VAL CB C 32.416 . 1 62 13 13 VAL N N 123.956 . 1 63 14 14 PRO HA H 4.389 . 1 64 14 14 PRO C C 176.754 . 1 65 14 14 PRO CA C 62.965 . 1 66 14 14 PRO CB C 32.15 . 1 67 14 14 PRO N N 139.72 . 1 68 15 15 LYS H H 8.51 . 1 69 15 15 LYS C C 176.704 . 1 70 15 15 LYS CA C 56.098 . 1 71 15 15 LYS CB C 33.087 . 1 72 15 15 LYS N N 122.686 . 1 73 16 16 VAL H H 8.25 . 1 74 16 16 VAL HA H 4.103 . 1 75 16 16 VAL C C 175.787 . 1 76 16 16 VAL CA C 61.842 . 1 77 16 16 VAL CB C 33.03 . 1 78 16 16 VAL N N 122.16 . 1 79 17 17 ALA H H 8.559 . 1 80 17 17 ALA HA H 4.393 . 1 81 17 17 ALA C C 177.841 . 1 82 17 17 ALA CA C 52.405 . 1 83 17 17 ALA CB C 19.227 . 1 84 17 17 ALA N N 128.722 . 1 85 18 18 THR H H 8.238 . 1 86 18 18 THR HA H 4.309 . 1 87 18 18 THR C C 174.701 . 1 88 18 18 THR CA C 61.735 . 1 89 18 18 THR CB C 69.766 . 1 90 18 18 THR N N 114.133 . 1 91 19 19 GLU H H 8.558 . 1 92 19 19 GLU C C 176.572 . 1 93 19 19 GLU CA C 56.508 . 1 94 19 19 GLU CB C 30.188 . 1 95 19 19 GLU N N 123.266 . 1 96 20 20 GLU H H 8.551 . 1 97 20 20 GLU HA H 4.295 . 1 98 20 20 GLU C C 176.691 . 1 99 20 20 GLU CA C 56.636 . 1 100 20 20 GLU CB C 30.249 . 1 101 20 20 GLU N N 122.41 . 1 102 21 21 SER H H 8.475 . 1 103 21 21 SER HA H 4.476 . 1 104 21 21 SER C C 174.772 . 1 105 21 21 SER CA C 58.306 . 1 106 21 21 SER CB C 63.743 . 1 107 21 21 SER N N 117.289 . 1 108 22 22 SER H H 8.461 . 1 109 22 22 SER HA H 4.461 . 1 110 22 22 SER C C 174.429 . 1 111 22 22 SER CA C 58.306 . 1 112 22 22 SER CB C 63.743 . 1 113 22 22 SER N N 118.309 . 1 114 23 23 ALA H H 8.358 . 1 115 23 23 ALA HA H 4.312 . 1 116 23 23 ALA C C 177.775 . 1 117 23 23 ALA CA C 52.709 . 1 118 23 23 ALA CB C 19.138 . 1 119 23 23 ALA N N 126.026 . 1 120 24 24 GLU H H 8.358 . 1 121 24 24 GLU HA H 4.254 . 1 122 24 24 GLU C C 176.697 . 1 123 24 24 GLU CA C 56.549 . 1 124 24 24 GLU CB C 30.115 . 1 125 24 24 GLU N N 120.087 . 1 126 25 25 VAL H H 8.269 . 1 127 25 25 VAL HA H 4.147 . 1 128 25 25 VAL C C 176.634 . 1 129 25 25 VAL CA C 62.487 . 1 130 25 25 VAL CB C 32.474 . 1 131 25 25 VAL N N 121.758 . 1 132 26 26 THR H H 8.301 . 1 133 26 26 THR HA H 4.332 . 1 134 26 26 THR C C 174.37 . 1 135 26 26 THR CA C 62.07 . 1 136 26 26 THR CB C 69.766 . 1 137 26 26 THR N N 118.04 . 1 138 27 27 ASP H H 8.39 . 1 139 27 27 ASP HA H 4.608 . 1 140 27 27 ASP C C 176.457 . 1 141 27 27 ASP CA C 54.339 . 1 142 27 27 ASP CB C 40.974 . 1 143 27 27 ASP N N 122.999 . 1 144 28 28 ARG H H 8.412 . 1 145 28 28 ARG HA H 4.244 . 1 146 28 28 ARG C C 177.157 . 1 147 28 28 ARG CA C 56.625 . 1 148 28 28 ARG CB C 30.235 . 1 149 28 28 ARG N N 122.116 . 1 150 29 29 GLY H H 8.546 . 1 151 29 29 GLY C C 174.536 . 1 152 29 29 GLY CA C 45.436 . 1 153 29 29 GLY N N 109.242 . 1 154 30 30 LEU H H 7.98 . 1 155 30 30 LEU HA H 4.233 . 1 156 30 30 LEU C C 177.323 . 1 157 30 30 LEU CA C 55.511 . 1 158 30 30 LEU CB C 42.146 . 1 159 30 30 LEU N N 121.097 . 1 160 31 31 PHE H H 8.159 . 1 161 31 31 PHE HA H 4.569 . 1 162 31 31 PHE C C 175.728 . 1 163 31 31 PHE CA C 57.636 . 1 164 31 31 PHE CB C 39.568 . 1 165 31 31 PHE N N 119.297 . 1 166 32 32 ASP H H 8.199 . 1 167 32 32 ASP HA H 4.533 . 1 168 32 32 ASP C C 176.319 . 1 169 32 32 ASP CA C 54.213 . 1 170 32 32 ASP CB C 40.865 . 1 171 32 32 ASP N N 121.477 . 1 172 33 33 PHE H H 8.112 . 1 173 33 33 PHE HA H 4.513 . 1 174 33 33 PHE C C 176.236 . 1 175 33 33 PHE CA C 58.384 . 1 176 33 33 PHE CB C 39.098 . 1 177 33 33 PHE N N 120.163 . 1 178 34 34 LEU H H 8.158 . 1 179 34 34 LEU HA H 4.244 . 1 180 34 34 LEU C C 177.931 . 1 181 34 34 LEU CA C 55.335 . 1 182 34 34 LEU CB C 41.912 . 1 183 34 34 LEU N N 122.302 . 1 184 35 35 GLY H H 8.045 . 1 185 35 35 GLY HA2 H 3.865 . 2 186 35 35 GLY HA3 H 3.865 . 2 187 35 35 GLY C C 174.051 . 1 188 35 35 GLY CA C 45.34 . 1 189 35 35 GLY N N 108.905 . 1 190 36 36 LYS H H 8.101 . 1 191 36 36 LYS HA H 4.29 . 1 192 36 36 LYS C C 176.697 . 1 193 36 36 LYS CA C 55.98 . 1 194 36 36 LYS CB C 33.002 . 1 195 36 36 LYS N N 120.967 . 1 196 37 37 LYS H H 8.473 . 1 197 37 37 LYS HA H 4.257 . 1 198 37 37 LYS C C 176.754 . 1 199 37 37 LYS CA C 56.192 . 1 200 37 37 LYS CB C 32.935 . 1 201 37 37 LYS N N 123.404 . 1 202 38 38 LYS H H 8.459 . 1 203 38 38 LYS HA H 4.233 . 1 204 38 38 LYS C C 176.267 . 1 205 38 38 LYS CA C 56.347 . 1 206 38 38 LYS CB C 32.96 . 1 207 38 38 LYS N N 123.68 . 1 208 39 39 ASP H H 8.463 . 1 209 39 39 ASP HA H 4.596 . 1 210 39 39 ASP C C 176.286 . 1 211 39 39 ASP CA C 54.163 . 1 212 39 39 ASP CB C 40.981 . 1 213 39 39 ASP N N 121.922 . 1 214 40 40 GLU H H 8.505 . 1 215 40 40 GLU HA H 4.342 . 1 216 40 40 GLU C C 176.64 . 1 217 40 40 GLU CA C 56.506 . 1 218 40 40 GLU CB C 30.247 . 1 219 40 40 GLU N N 122.299 . 1 220 41 41 THR H H 8.365 . 1 221 41 41 THR HA H 4.275 . 1 222 41 41 THR C C 174.341 . 1 223 41 41 THR CA C 62.154 . 1 224 41 41 THR CB C 69.682 . 1 225 41 41 THR N N 115.964 . 1 226 42 42 LYS H H 8.408 . 1 227 42 42 LYS HA H 4.631 . 1 228 42 42 LYS C C 174.463 . 1 229 42 42 LYS CA C 54.046 . 1 230 42 42 LYS CB C 32.474 . 1 231 42 42 LYS N N 125.657 . 1 232 43 43 PRO HA H 4.397 . 1 233 43 43 PRO C C 177.034 . 1 234 43 43 PRO CA C 63.046 . 1 235 43 43 PRO CB C 31.989 . 1 236 43 43 PRO N N 137.479 . 1 237 44 44 GLU H H 8.677 . 1 238 44 44 GLU HA H 4.229 . 1 239 44 44 GLU C C 176.543 . 1 240 44 44 GLU CA C 56.508 . 1 241 44 44 GLU CB C 30.13 . 1 242 44 44 GLU N N 121.176 . 1 243 45 45 GLU H H 8.476 . 1 244 45 45 GLU HA H 4.346 . 1 245 45 45 GLU C C 176.292 . 1 246 45 45 GLU CA C 56.488 . 1 247 45 45 GLU CB C 30.229 . 1 248 45 45 GLU N N 122.469 . 1 249 46 46 THR H H 8.378 . 1 250 46 46 THR HA H 4.554 . 1 251 46 46 THR C C 172.703 . 1 252 46 46 THR CA C 59.895 . 1 253 46 46 THR CB C 69.682 . 1 254 46 46 THR N N 119.118 . 1 255 47 47 PRO HA H 4.442 . 1 256 47 47 PRO C C 176.844 . 1 257 47 47 PRO CA C 62.885 . 1 258 47 47 PRO CB C 32.07 . 1 259 47 47 PRO N N 139.399 . 1 260 48 48 ILE H H 8.356 . 1 261 48 48 ILE HA H 4.103 . 1 262 48 48 ILE C C 176.189 . 1 263 48 48 ILE CA C 60.982 . 1 264 48 48 ILE CB C 38.629 . 1 265 48 48 ILE N N 121.992 . 1 266 49 49 ALA H H 8.484 . 1 267 49 49 ALA HA H 4.325 . 1 268 49 49 ALA C C 177.816 . 1 269 49 49 ALA CA C 52.463 . 1 270 49 49 ALA CB C 19.168 . 1 271 49 49 ALA N N 128.867 . 1 272 50 50 SER H H 8.395 . 1 273 50 50 SER HA H 4.385 . 1 274 50 50 SER C C 174.943 . 1 275 50 50 SER CA C 58.473 . 1 276 50 50 SER CB C 63.743 . 1 277 50 50 SER N N 115.741 . 1 278 51 51 GLU H H 8.568 . 1 279 51 51 GLU HA H 4.188 . 1 280 51 51 GLU C C 176.399 . 1 281 51 51 GLU CA C 57.035 . 1 282 51 51 GLU CB C 29.778 . 1 283 51 51 GLU N N 122.75 . 1 284 52 52 PHE H H 8.158 . 1 285 52 52 PHE HA H 4.589 . 1 286 52 52 PHE C C 175.787 . 1 287 52 52 PHE CA C 57.887 . 1 288 52 52 PHE CB C 39.484 . 1 289 52 52 PHE N N 119.934 . 1 290 53 53 GLU H H 8.173 . 1 291 53 53 GLU HA H 4.205 . 1 292 53 53 GLU C C 176.136 . 1 293 53 53 GLU CA C 56.454 . 1 294 53 53 GLU CB C 30.364 . 1 295 53 53 GLU N N 122.151 . 1 296 54 54 GLN H H 8.39 . 1 297 54 54 GLN C C 175.906 . 1 298 54 54 GLN CA C 55.712 . 1 299 54 54 GLN CB C 29.274 . 1 300 54 54 GLN N N 121.801 . 1 301 55 55 LYS H H 8.392 . 1 302 55 55 LYS C C 176.432 . 1 303 55 55 LYS CA C 55.903 . 1 304 55 55 LYS CB C 32.984 . 1 305 55 55 LYS N N 123.174 . 1 306 56 56 VAL H H 8.175 . 1 307 56 56 VAL HA H 4.043 . 1 308 56 56 VAL C C 175.77 . 1 309 56 56 VAL CA C 62.135 . 1 310 56 56 VAL CB C 32.95 . 1 311 56 56 VAL N N 121.477 . 1 312 57 57 HIS H H 8.646 . 1 313 57 57 HIS HA H 4.695 . 1 314 57 57 HIS C C 174.496 . 1 315 57 57 HIS CA C 55.453 . 1 316 57 57 HIS CB C 29.661 . 1 317 57 57 HIS N N 123.938 . 1 318 58 58 ILE H H 8.344 . 1 319 58 58 ILE HA H 4.174 . 1 320 58 58 ILE C C 175.946 . 1 321 58 58 ILE CA C 60.728 . 1 322 58 58 ILE CB C 38.747 . 1 323 58 58 ILE N N 124.391 . 1 324 59 59 SER H H 8.5 . 1 325 59 59 SER HA H 4.448 . 1 326 59 59 SER C C 173.951 . 1 327 59 59 SER CA C 58.091 . 1 328 59 59 SER CB C 63.718 . 1 329 59 59 SER N N 120.835 . 1 330 60 60 GLU H H 8.485 . 1 331 60 60 GLU HA H 4.591 . 1 332 60 60 GLU C C 174.323 . 1 333 60 60 GLU CA C 54.222 . 1 334 60 60 GLU CB C 29.719 . 1 335 60 60 GLU N N 124.492 . 1 336 61 61 PRO HA H 4.404 . 1 337 61 61 PRO C C 176.679 . 1 338 61 61 PRO CA C 62.725 . 1 339 61 61 PRO CB C 32.07 . 1 340 61 61 PRO N N 137.236 . 1 341 62 62 GLU H H 8.585 . 1 342 62 62 GLU HA H 4.52 . 1 343 62 62 GLU C C 174.694 . 1 344 62 62 GLU CA C 54.339 . 1 345 62 62 GLU CB C 29.485 . 1 346 62 62 GLU N N 122.787 . 1 347 63 63 PRO HA H 4.382 . 1 348 63 63 PRO C C 176.795 . 1 349 63 63 PRO CA C 62.965 . 1 350 63 63 PRO CB C 32.07 . 1 351 63 63 PRO N N 137.293 . 1 352 64 64 GLU H H 8.569 . 1 353 64 64 GLU C C 176.502 . 1 354 64 64 GLU CA C 56.508 . 1 355 64 64 GLU CB C 30.306 . 1 356 64 64 GLU N N 121.728 . 1 357 65 65 VAL H H 8.292 . 1 358 65 65 VAL HA H 4.035 . 1 359 65 65 VAL C C 175.882 . 1 360 65 65 VAL CA C 62.164 . 1 361 65 65 VAL CB C 32.614 . 1 362 65 65 VAL N N 122.851 . 1 363 66 66 LYS H H 8.474 . 1 364 66 66 LYS HA H 4.284 . 1 365 66 66 LYS C C 176.317 . 1 366 66 66 LYS CA C 55.98 . 1 367 66 66 LYS CB C 32.978 . 1 368 66 66 LYS N N 125.867 . 1 369 67 67 HIS H H 8.635 . 1 370 67 67 HIS HA H 4.645 . 1 371 67 67 HIS C C 174.949 . 1 372 67 67 HIS CA C 55.778 . 1 373 67 67 HIS CB C 29.712 . 1 374 67 67 HIS N N 121.443 . 1 375 68 68 GLU H H 8.679 . 1 376 68 68 GLU HA H 4.288 . 1 377 68 68 GLU C C 176.548 . 1 378 68 68 GLU CA C 56.684 . 1 379 68 68 GLU CB C 30.364 . 1 380 68 68 GLU N N 123.017 . 1 381 69 69 SER H H 8.627 . 1 382 69 69 SER HA H 4.444 . 1 383 69 69 SER C C 174.925 . 1 384 69 69 SER CA C 58.389 . 1 385 69 69 SER CB C 63.743 . 1 386 69 69 SER N N 117.951 . 1 387 70 70 LEU H H 8.441 . 1 388 70 70 LEU HA H 4.275 . 1 389 70 70 LEU C C 177.932 . 1 390 70 70 LEU CA C 56.006 . 1 391 70 70 LEU CB C 41.853 . 1 392 70 70 LEU N N 124.268 . 1 393 71 71 LEU H H 8.105 . 1 394 71 71 LEU HA H 4.214 . 1 395 71 71 LEU C C 178.009 . 1 396 71 71 LEU CA C 55.912 . 1 397 71 71 LEU CB C 41.968 . 1 398 71 71 LEU N N 121.046 . 1 399 72 72 GLU H H 8.144 . 1 400 72 72 GLU HA H 4.169 . 1 401 72 72 GLU C C 177.098 . 1 402 72 72 GLU CA C 57.153 . 1 403 72 72 GLU CB C 30.012 . 1 404 72 72 GLU N N 120.817 . 1 405 73 73 LYS H H 8.198 . 1 406 73 73 LYS HA H 4.184 . 1 407 73 73 LYS C C 177.062 . 1 408 73 73 LYS CA C 56.949 . 1 409 73 73 LYS CB C 32.734 . 1 410 73 73 LYS N N 121.504 . 1 411 74 74 LEU H H 8.14 . 1 412 74 74 LEU HA H 4.244 . 1 413 74 74 LEU C C 177.482 . 1 414 74 74 LEU CA C 55.453 . 1 415 74 74 LEU CB C 42.146 . 1 416 74 74 LEU N N 121.902 . 1 417 75 75 HIS H H 8.371 . 1 418 75 75 HIS HA H 4.664 . 1 419 75 75 HIS C C 175.002 . 1 420 75 75 HIS CA C 55.712 . 1 421 75 75 HIS CB C 29.278 . 1 422 75 75 HIS N N 119.254 . 1 423 76 76 ARG H H 8.424 . 1 424 76 76 ARG HA H 4.339 . 1 425 76 76 ARG C C 176.589 . 1 426 76 76 ARG CA C 56.391 . 1 427 76 76 ARG CB C 30.833 . 1 428 76 76 ARG N N 122.741 . 1 429 77 77 SER H H 8.549 . 1 430 77 77 SER HA H 4.457 . 1 431 77 77 SER C C 174.453 . 1 432 77 77 SER CA C 58.473 . 1 433 77 77 SER CB C 63.659 . 1 434 77 77 SER N N 117.208 . 1 435 78 78 ASP H H 8.454 . 1 436 78 78 ASP HA H 4.676 . 1 437 78 78 ASP C C 176.548 . 1 438 78 78 ASP CA C 54.28 . 1 439 78 78 ASP CB C 41.033 . 1 440 78 78 ASP N N 122.548 . 1 441 79 79 SER H H 8.378 . 1 442 79 79 SER HA H 4.483 . 1 443 79 79 SER C C 174.99 . 1 444 79 79 SER CA C 58.557 . 1 445 79 79 SER CB C 63.659 . 1 446 79 79 SER N N 116.389 . 1 447 80 80 SER H H 8.492 . 1 448 80 80 SER HA H 4.494 . 1 449 80 80 SER C C 174.866 . 1 450 80 80 SER CA C 58.706 . 1 451 80 80 SER CB C 63.672 . 1 452 80 80 SER N N 118.174 . 1 453 81 81 SER H H 8.412 . 1 454 81 81 SER HA H 4.529 . 1 455 81 81 SER C C 174.76 . 1 456 81 81 SER CA C 58.473 . 1 457 81 81 SER CB C 63.743 . 1 458 81 81 SER N N 117.825 . 1 459 82 82 SER H H 8.439 . 1 460 82 82 SER HA H 4.529 . 1 461 82 82 SER C C 174.75 . 1 462 82 82 SER CA C 58.389 . 1 463 82 82 SER CB C 63.743 . 1 464 82 82 SER N N 118.013 . 1 465 83 83 SER H H 8.465 . 1 466 83 83 SER HA H 4.529 . 1 467 83 83 SER C C 174.772 . 1 468 83 83 SER CA C 58.445 . 1 469 83 83 SER CB C 63.639 . 1 470 83 83 SER N N 118.085 . 1 471 84 84 SER H H 8.469 . 1 472 84 84 SER HA H 4.529 . 1 473 84 84 SER C C 174.779 . 1 474 84 84 SER CA C 58.407 . 1 475 84 84 SER CB C 63.69 . 1 476 84 84 SER N N 118.088 . 1 477 85 85 SER H H 8.467 . 1 478 85 85 SER HA H 4.476 . 1 479 85 85 SER C C 174.808 . 1 480 85 85 SER CA C 58.521 . 1 481 85 85 SER CB C 63.665 . 1 482 85 85 SER N N 118.111 . 1 483 86 86 GLU H H 8.476 . 1 484 86 86 GLU HA H 4.302 . 1 485 86 86 GLU C C 176.671 . 1 486 86 86 GLU CA C 56.653 . 1 487 86 86 GLU CB C 30.071 . 1 488 86 86 GLU N N 122.612 . 1 489 87 87 GLU H H 8.402 . 1 490 87 87 GLU C C 176.701 . 1 491 87 87 GLU CA C 56.43 . 1 492 87 87 GLU CB C 30.236 . 1 493 87 87 GLU N N 121.379 . 1 494 88 88 GLU H H 8.499 . 1 495 88 88 GLU HA H 4.279 . 1 496 88 88 GLU C C 177.215 . 1 497 88 88 GLU CA C 56.732 . 1 498 88 88 GLU CB C 30.229 . 1 499 88 88 GLU N N 122.382 . 1 500 89 89 GLY H H 8.548 . 1 501 89 89 GLY HA2 H 3.988 . 2 502 89 89 GLY HA3 H 3.988 . 2 503 89 89 GLY C C 174.577 . 1 504 89 89 GLY CA C 45.172 . 1 505 89 89 GLY N N 110.238 . 1 506 90 90 SER H H 8.385 . 1 507 90 90 SER HA H 4.465 . 1 508 90 90 SER C C 174.831 . 1 509 90 90 SER CA C 58.557 . 1 510 90 90 SER CB C 63.827 . 1 511 90 90 SER N N 115.954 . 1 512 91 91 ASP H H 8.608 . 1 513 91 91 ASP HA H 4.606 . 1 514 91 91 ASP C C 177.163 . 1 515 91 91 ASP CA C 54.749 . 1 516 91 91 ASP CB C 40.915 . 1 517 91 91 ASP N N 122.161 . 1 518 92 92 GLY H H 8.411 . 1 519 92 92 GLY C C 174.925 . 1 520 92 92 GLY CA C 45.758 . 1 521 92 92 GLY N N 108.973 . 1 522 93 93 GLU H H 8.263 . 1 523 93 93 GLU HA H 4.214 . 1 524 93 93 GLU C C 177.269 . 1 525 93 93 GLU CA C 56.977 . 1 526 93 93 GLU CB C 29.895 . 1 527 93 93 GLU N N 120.95 . 1 528 94 94 LYS H H 8.324 . 1 529 94 94 LYS HA H 4.225 . 1 530 94 94 LYS C C 177.28 . 1 531 94 94 LYS CA C 56.986 . 1 532 94 94 LYS CB C 32.571 . 1 533 94 94 LYS N N 121.562 . 1 534 95 95 ARG H H 8.26 . 1 535 95 95 ARG C C 176.685 . 1 536 95 95 ARG CA C 56.904 . 1 537 95 95 ARG CB C 30.599 . 1 538 95 95 ARG N N 121.056 . 1 539 96 96 LYS H H 8.258 . 1 540 96 96 LYS HA H 4.244 . 1 541 96 96 LYS C C 176.85 . 1 542 96 96 LYS CA C 56.589 . 1 543 96 96 LYS CB C 32.885 . 1 544 96 96 LYS N N 122.311 . 1 545 97 97 LYS H H 8.331 . 1 546 97 97 LYS HA H 4.26 . 1 547 97 97 LYS C C 176.773 . 1 548 97 97 LYS CA C 56.408 . 1 549 97 97 LYS CB C 32.95 . 1 550 97 97 LYS N N 122.682 . 1 551 98 98 LYS H H 8.387 . 1 552 98 98 LYS HA H 4.254 . 1 553 98 98 LYS C C 176.671 . 1 554 98 98 LYS CA C 56.455 . 1 555 98 98 LYS CB C 32.992 . 1 556 98 98 LYS N N 123.303 . 1 557 99 99 LYS H H 8.436 . 1 558 99 99 LYS C C 176.55 . 1 559 99 99 LYS CA C 56.207 . 1 560 99 99 LYS CB C 32.948 . 1 561 99 99 LYS N N 123.349 . 1 562 100 100 GLU H H 8.489 . 1 563 100 100 GLU HA H 4.283 . 1 564 100 100 GLU C C 176.292 . 1 565 100 100 GLU CA C 56.162 . 1 566 100 100 GLU CB C 30.46 . 1 567 100 100 GLU N N 123.174 . 1 568 101 101 LYS H H 8.498 . 1 569 101 101 LYS HA H 4.288 . 1 570 101 101 LYS C C 176.439 . 1 571 101 101 LYS CA C 56.196 . 1 572 101 101 LYS CB C 32.989 . 1 573 101 101 LYS N N 123.792 . 1 574 102 102 LYS H H 8.469 . 1 575 102 102 LYS HA H 4.286 . 1 576 102 102 LYS C C 176.391 . 1 577 102 102 LYS CA C 55.981 . 1 578 102 102 LYS CB C 33.069 . 1 579 102 102 LYS N N 123.809 . 1 580 103 103 LYS H H 8.528 . 1 581 103 103 LYS HA H 4.577 . 1 582 103 103 LYS C C 174.636 . 1 583 103 103 LYS CA C 54.261 . 1 584 103 103 LYS CB C 32.326 . 1 585 103 103 LYS N N 125.136 . 1 586 104 104 PRO HA H 4.513 . 1 587 104 104 PRO C C 177.134 . 1 588 104 104 PRO CA C 62.99 . 1 589 104 104 PRO CB C 32.206 . 1 590 104 104 PRO N N 137.293 . 1 591 105 105 THR H H 8.466 . 1 592 105 105 THR HA H 4.381 . 1 593 105 105 THR C C 174.801 . 1 594 105 105 THR CA C 61.903 . 1 595 105 105 THR CB C 69.682 . 1 596 105 105 THR N N 115.236 . 1 597 106 106 THR H H 8.2 . 1 598 106 106 THR HA H 4.361 . 1 599 106 106 THR C C 174.423 . 1 600 106 106 THR CA C 61.735 . 1 601 106 106 THR CB C 69.766 . 1 602 106 106 THR N N 116.156 . 1 603 107 107 GLU H H 8.516 . 1 604 107 107 GLU C C 176.457 . 1 605 107 107 GLU CA C 56.418 . 1 606 107 107 GLU CB C 30.248 . 1 607 107 107 GLU N N 123.781 . 1 608 108 108 VAL H H 8.219 . 1 609 108 108 VAL HA H 4.061 . 1 610 108 108 VAL C C 176.089 . 1 611 108 108 VAL CA C 62.365 . 1 612 108 108 VAL CB C 32.704 . 1 613 108 108 VAL N N 121.395 . 1 614 109 109 GLU H H 8.481 . 1 615 109 109 GLU HA H 4.283 . 1 616 109 109 GLU C C 176.416 . 1 617 109 109 GLU CA C 56.508 . 1 618 109 109 GLU CB C 30.364 . 1 619 109 109 GLU N N 125.317 . 1 620 110 110 VAL H H 8.374 . 1 621 110 110 VAL HA H 4.034 . 1 622 110 110 VAL C C 176.218 . 1 623 110 110 VAL CA C 62.487 . 1 624 110 110 VAL CB C 32.65 . 1 625 110 110 VAL N N 123.533 . 1 626 111 111 LYS H H 8.524 . 1 627 111 111 LYS HA H 4.32 . 1 628 111 111 LYS C C 176.935 . 1 629 111 111 LYS CA C 56.156 . 1 630 111 111 LYS CB C 32.896 . 1 631 111 111 LYS N N 126.012 . 1 632 112 112 GLU H H 8.578 . 1 633 112 112 GLU HA H 4.173 . 1 634 112 112 GLU C C 177.025 . 1 635 112 112 GLU CA C 57.121 . 1 636 112 112 GLU CB C 30.071 . 1 637 112 112 GLU N N 123.082 . 1 638 113 113 GLU H H 8.651 . 1 639 113 113 GLU C C 176.933 . 1 640 113 113 GLU CA C 57.013 . 1 641 113 113 GLU CB C 29.988 . 1 642 113 113 GLU N N 121.489 . 1 643 114 114 GLU H H 8.384 . 1 644 114 114 GLU HA H 4.211 . 1 645 114 114 GLU C C 176.874 . 1 646 114 114 GLU CA C 56.757 . 1 647 114 114 GLU CB C 30.089 . 1 648 114 114 GLU N N 121.907 . 1 649 115 115 LYS H H 8.279 . 1 650 115 115 LYS HA H 4.249 . 1 651 115 115 LYS C C 176.972 . 1 652 115 115 LYS CA C 56.59 . 1 653 115 115 LYS CB C 32.709 . 1 654 115 115 LYS N N 122.467 . 1 655 116 116 LYS H H 8.36 . 1 656 116 116 LYS HA H 4.254 . 1 657 116 116 LYS C C 177.488 . 1 658 116 116 LYS CA C 56.918 . 1 659 116 116 LYS CB C 32.845 . 1 660 116 116 LYS N N 122.343 . 1 661 117 117 GLY H H 8.502 . 1 662 117 117 GLY HA2 H 3.924 . 2 663 117 117 GLY HA3 H 3.924 . 2 664 117 117 GLY C C 174.358 . 1 665 117 117 GLY CA C 45.34 . 1 666 117 117 GLY N N 109.808 . 1 667 118 118 PHE H H 8.128 . 1 668 118 118 PHE HA H 4.508 . 1 669 118 118 PHE C C 176.26 . 1 670 118 118 PHE CA C 58.618 . 1 671 118 118 PHE CB C 39.333 . 1 672 118 118 PHE N N 120.503 . 1 673 119 119 MET H H 8.284 . 1 674 119 119 MET C C 176.478 . 1 675 119 119 MET CA C 55.687 . 1 676 119 119 MET CB C 32.474 . 1 677 119 119 MET N N 121.397 . 1 678 120 120 GLU H H 8.289 . 1 679 120 120 GLU C C 176.939 . 1 680 120 120 GLU CA C 57.131 . 1 681 120 120 GLU CB C 30.012 . 1 682 120 120 GLU N N 121.888 . 1 683 121 121 LYS H H 8.249 . 1 684 121 121 LYS HA H 4.225 . 1 685 121 121 LYS C C 176.998 . 1 686 121 121 LYS CA C 56.747 . 1 687 121 121 LYS CB C 32.546 . 1 688 121 121 LYS N N 121.853 . 1 689 122 122 LEU H H 8.138 . 1 690 122 122 LEU HA H 4.248 . 1 691 122 122 LEU C C 177.724 . 1 692 122 122 LEU CA C 55.511 . 1 693 122 122 LEU CB C 42.088 . 1 694 122 122 LEU N N 122.752 . 1 695 123 123 LYS H H 8.207 . 1 696 123 123 LYS HA H 4.223 . 1 697 123 123 LYS C C 176.72 . 1 698 123 123 LYS CA C 56.566 . 1 699 123 123 LYS CB C 32.767 . 1 700 123 123 LYS N N 121.676 . 1 701 124 124 GLU H H 8.243 . 1 702 124 124 GLU HA H 4.193 . 1 703 124 124 GLU C C 176.213 . 1 704 124 124 GLU CA C 56.482 . 1 705 124 124 GLU CB C 30.306 . 1 706 124 124 GLU N N 121.49 . 1 707 125 125 LYS H H 8.314 . 1 708 125 125 LYS HA H 4.283 . 1 709 125 125 LYS C C 176.283 . 1 710 125 125 LYS CA C 55.987 . 1 711 125 125 LYS CB C 32.885 . 1 712 125 125 LYS N N 122.402 . 1 713 126 126 LEU H H 8.344 . 1 714 126 126 LEU HA H 4.606 . 1 715 126 126 LEU C C 175.312 . 1 716 126 126 LEU CA C 52.874 . 1 717 126 126 LEU CB C 41.384 . 1 718 126 126 LEU N N 125.071 . 1 719 127 127 PRO HA H 4.412 . 1 720 127 127 PRO C C 177.653 . 1 721 127 127 PRO CA C 63.325 . 1 722 127 127 PRO CB C 31.955 . 1 723 127 127 PRO N N 136.24 . 1 724 128 128 GLY H H 8.558 . 1 725 128 128 GLY HA2 H 3.914 . 2 726 128 128 GLY HA3 H 3.914 . 2 727 128 128 GLY C C 174.028 . 1 728 128 128 GLY CA C 45.196 . 1 729 128 128 GLY N N 109.324 . 1 730 129 129 HIS H H 8.305 . 1 731 129 129 HIS HA H 4.64 . 1 732 129 129 HIS C C 174.843 . 1 733 129 129 HIS CA C 55.712 . 1 734 129 129 HIS CB C 29.864 . 1 735 129 129 HIS N N 118.821 . 1 736 130 130 LYS H H 8.436 . 1 737 130 130 LYS HA H 4.303 . 1 738 130 130 LYS C C 176.218 . 1 739 130 130 LYS CA C 56.066 . 1 740 130 130 LYS CB C 33.176 . 1 741 130 130 LYS N N 123.385 . 1 742 131 131 LYS H H 8.587 . 1 743 131 131 LYS HA H 4.576 . 1 744 131 131 LYS C C 174.776 . 1 745 131 131 LYS CA C 54.296 . 1 746 131 131 LYS CB C 32.24 . 1 747 131 131 LYS N N 125.071 . 1 748 132 132 PRO HA H 4.389 . 1 749 132 132 PRO C C 177.256 . 1 750 132 132 PRO CA C 63.206 . 1 751 132 132 PRO CB C 31.989 . 1 752 132 132 PRO N N 137.606 . 1 753 133 133 GLU H H 8.764 . 1 754 133 133 GLU HA H 4.259 . 1 755 133 133 GLU C C 176.502 . 1 756 133 133 GLU CA C 56.566 . 1 757 133 133 GLU CB C 29.895 . 1 758 133 133 GLU N N 121.204 . 1 759 134 134 ASP H H 8.367 . 1 760 134 134 ASP HA H 4.6 . 1 761 134 134 ASP C C 177.057 . 1 762 134 134 ASP CA C 54.276 . 1 763 134 134 ASP CB C 41.091 . 1 764 134 134 ASP N N 121.582 . 1 765 135 135 GLY H H 8.486 . 1 766 135 135 GLY HA2 H 4.022 . 2 767 135 135 GLY HA3 H 4.022 . 2 768 135 135 GLY C C 174.606 . 1 769 135 135 GLY CA C 45.423 . 1 770 135 135 GLY N N 110.093 . 1 771 136 136 SER H H 8.279 . 1 772 136 136 SER HA H 4.399 . 1 773 136 136 SER C C 174.447 . 1 774 136 136 SER CA C 58.64 . 1 775 136 136 SER CB C 63.743 . 1 776 136 136 SER N N 115.984 . 1 777 137 137 ALA H H 8.352 . 1 778 137 137 ALA HA H 4.355 . 1 779 137 137 ALA C C 177.755 . 1 780 137 137 ALA CA C 52.304 . 1 781 137 137 ALA CB C 19.138 . 1 782 137 137 ALA N N 125.853 . 1 783 138 138 VAL H H 8.082 . 1 784 138 138 VAL HA H 4.054 . 1 785 138 138 VAL C C 175.941 . 1 786 138 138 VAL CA C 62.07 . 1 787 138 138 VAL CB C 32.708 . 1 788 138 138 VAL N N 119.518 . 1 789 139 139 ALA H H 8.38 . 1 790 139 139 ALA HA H 4.286 . 1 791 139 139 ALA C C 177.198 . 1 792 139 139 ALA CA C 52.17 . 1 793 139 139 ALA CB C 19.168 . 1 794 139 139 ALA N N 128.29 . 1 795 140 140 ALA H H 8.292 . 1 796 140 140 ALA HA H 4.275 . 1 797 140 140 ALA C C 177.058 . 1 798 140 140 ALA CA C 51.925 . 1 799 140 140 ALA CB C 19.312 . 1 800 140 140 ALA N N 123.975 . 1 801 141 141 ALA H H 8.301 . 1 802 141 141 ALA HA H 4.567 . 1 803 141 141 ALA C C 175.501 . 1 804 141 141 ALA CA C 50.294 . 1 805 141 141 ALA CB C 17.937 . 1 806 141 141 ALA N N 125.209 . 1 807 142 142 PRO C C 176.747 . 1 808 142 142 PRO CA C 62.645 . 1 809 142 142 PRO CB C 31.989 . 1 810 142 142 PRO N N 135.842 . 1 811 143 143 VAL H H 8.338 . 1 812 143 143 VAL HA H 4.045 . 1 813 143 143 VAL C C 176.136 . 1 814 143 143 VAL CA C 62.339 . 1 815 143 143 VAL CB C 32.642 . 1 816 143 143 VAL N N 121.65 . 1 817 144 144 VAL H H 8.385 . 1 818 144 144 VAL HA H 4.097 . 1 819 144 144 VAL C C 175.831 . 1 820 144 144 VAL CA C 62.055 . 1 821 144 144 VAL CB C 32.748 . 1 822 144 144 VAL N N 126.214 . 1 823 145 145 VAL H H 8.47 . 1 824 145 145 VAL HA H 4.401 . 1 825 145 145 VAL C C 173.927 . 1 826 145 145 VAL CA C 59.615 . 1 827 145 145 VAL CB C 32.58 . 1 828 145 145 VAL N N 128.01 . 1 829 146 146 PRO N N 141.167 . 1 830 147 147 PRO HA H 4.708 . 1 831 147 147 PRO C C 174.722 . 1 832 148 148 PRO HA H 4.442 . 1 833 148 148 PRO C C 177.009 . 1 834 148 148 PRO CA C 62.645 . 1 835 148 148 PRO CB C 31.989 . 1 836 148 148 PRO N N 135.273 . 1 837 149 149 VAL H H 8.294 . 1 838 149 149 VAL C C 176.26 . 1 839 149 149 VAL CA C 62.413 . 1 840 149 149 VAL CB C 32.767 . 1 841 149 149 VAL N N 120.863 . 1 842 150 150 GLU H H 8.565 . 1 843 150 150 GLU HA H 4.29 . 1 844 150 150 GLU C C 176.201 . 1 845 150 150 GLU CA C 56.215 . 1 846 150 150 GLU CB C 30.381 . 1 847 150 150 GLU N N 125.115 . 1 848 151 151 GLU H H 8.49 . 1 849 151 151 GLU HA H 4.212 . 1 850 151 151 GLU C C 175.864 . 1 851 151 151 GLU CA C 56.125 . 1 852 151 151 GLU CB C 30.477 . 1 853 151 151 GLU N N 123.238 . 1 854 152 152 ALA H H 8.405 . 1 855 152 152 ALA HA H 4.214 . 1 856 152 152 ALA C C 177.289 . 1 857 152 152 ALA CA C 52.405 . 1 858 152 152 ALA CB C 19.168 . 1 859 152 152 ALA N N 125.585 . 1 860 153 153 HIS H H 8.524 . 1 861 153 153 HIS HA H 4.957 . 1 862 153 153 HIS C C 172.553 . 1 863 153 153 HIS CA C 53.203 . 1 864 153 153 HIS CB C 28.944 . 1 865 153 153 HIS N N 118.774 . 1 866 154 154 PRO HA H 4.459 . 1 867 154 154 PRO C C 176.976 . 1 868 154 154 PRO CA C 63.046 . 1 869 154 154 PRO CB C 32.07 . 1 870 154 154 PRO N N 137.508 . 1 871 155 155 VAL H H 8.452 . 1 872 155 155 VAL HA H 4.075 . 1 873 155 155 VAL C C 176.295 . 1 874 155 155 VAL CA C 62.35 . 1 875 155 155 VAL CB C 32.711 . 1 876 155 155 VAL N N 121.259 . 1 877 156 156 GLU H H 8.589 . 1 878 156 156 GLU HA H 4.279 . 1 879 156 156 GLU C C 176.305 . 1 880 156 156 GLU CA C 56.28 . 1 881 156 156 GLU CB C 30.364 . 1 882 156 156 GLU N N 125.462 . 1 883 157 157 LYS H H 8.515 . 1 884 157 157 LYS C C 176.446 . 1 885 157 157 LYS CA C 56.207 . 1 886 157 157 LYS CB C 32.906 . 1 887 157 157 LYS N N 123.816 . 1 888 158 158 LYS H H 8.487 . 1 889 158 158 LYS HA H 4.294 . 1 890 158 158 LYS C C 177.149 . 1 891 158 158 LYS CA C 56.443 . 1 892 158 158 LYS CB C 33.027 . 1 893 158 158 LYS N N 123.106 . 1 894 159 159 GLY H H 8.57 . 1 895 159 159 GLY C C 174.258 . 1 896 159 159 GLY CA C 45.235 . 1 897 159 159 GLY N N 110.327 . 1 898 160 160 ILE H H 8.056 . 1 899 160 160 ILE HA H 4.112 . 1 900 160 160 ILE C C 176.59 . 1 901 160 160 ILE CA C 61.555 . 1 902 160 160 ILE CB C 38.512 . 1 903 160 160 ILE N N 120.257 . 1 904 161 161 LEU H H 8.363 . 1 905 161 161 LEU HA H 4.323 . 1 906 161 161 LEU C C 177.523 . 1 907 161 161 LEU CA C 55.349 . 1 908 161 161 LEU CB C 41.985 . 1 909 161 161 LEU N N 125.268 . 1 910 162 162 GLU H H 8.321 . 1 911 162 162 GLU C C 176.543 . 1 912 162 162 GLU CA C 56.742 . 1 913 162 162 GLU CB C 30.188 . 1 914 162 162 GLU N N 121.934 . 1 915 163 163 LYS H H 8.289 . 1 916 163 163 LYS HA H 4.244 . 1 917 163 163 LYS C C 176.876 . 1 918 163 163 LYS CA C 56.59 . 1 919 163 163 LYS CB C 32.709 . 1 920 163 163 LYS N N 122.337 . 1 921 164 164 ILE H H 8.162 . 1 922 164 164 ILE HA H 4.075 . 1 923 164 164 ILE C C 176.614 . 1 924 164 164 ILE CA C 61.49 . 1 925 164 164 ILE CB C 38.336 . 1 926 164 164 ILE N N 122.268 . 1 927 165 165 LYS H H 8.363 . 1 928 165 165 LYS HA H 4.211 . 1 929 165 165 LYS C C 176.663 . 1 930 165 165 LYS CA C 56.742 . 1 931 165 165 LYS CB C 32.767 . 1 932 165 165 LYS N N 125.317 . 1 933 166 166 GLU H H 8.319 . 1 934 166 166 GLU HA H 4.061 . 1 935 166 166 GLU C C 176.213 . 1 936 166 166 GLU CA C 56.587 . 1 937 166 166 GLU CB C 30.38 . 1 938 166 166 GLU N N 121.609 . 1 939 167 167 LYS H H 8.259 . 1 940 167 167 LYS HA H 4.261 . 1 941 167 167 LYS C C 176.289 . 1 942 167 167 LYS CA C 55.864 . 1 943 167 167 LYS CB C 32.86 . 1 944 167 167 LYS N N 122.031 . 1 945 168 168 LEU H H 8.267 . 1 946 168 168 LEU HA H 4.61 . 1 947 168 168 LEU C C 175.27 . 1 948 168 168 LEU CA C 52.932 . 1 949 168 168 LEU CB C 41.443 . 1 950 168 168 LEU N N 124.934 . 1 951 169 169 PRO HA H 4.418 . 1 952 169 169 PRO C C 177.659 . 1 953 169 169 PRO CA C 63.492 . 1 954 169 169 PRO CB C 31.872 . 1 955 169 169 PRO N N 136.354 . 1 956 170 170 GLY H H 8.608 . 1 957 170 170 GLY C C 173.585 . 1 958 170 170 GLY CA C 44.921 . 1 959 170 170 GLY N N 109.598 . 1 960 171 171 TYR H H 7.974 . 1 961 171 171 TYR HA H 4.464 . 1 962 171 171 TYR C C 175.102 . 1 963 171 171 TYR CA C 57.973 . 1 964 171 171 TYR CB C 38.864 . 1 965 171 171 TYR N N 120.724 . 1 966 172 172 HIS H H 8.244 . 1 967 172 172 HIS HA H 4.793 . 1 968 172 172 HIS C C 171.733 . 1 969 172 172 HIS CA C 52.815 . 1 970 172 172 HIS CB C 29.426 . 1 971 172 172 HIS N N 124.377 . 1 972 173 173 PRO C C 176.778 . 1 973 173 173 PRO CA C 62.725 . 1 974 173 173 PRO CB C 32.07 . 1 975 173 173 PRO N N 136.724 . 1 976 174 174 LYS H H 8.628 . 1 977 174 174 LYS HA H 4.357 . 1 978 174 174 LYS C C 176.986 . 1 979 174 174 LYS CA C 56.332 . 1 980 174 174 LYS CB C 32.949 . 1 981 174 174 LYS N N 122.06 . 1 982 175 175 THR H H 8.339 . 1 983 175 175 THR HA H 4.422 . 1 984 175 175 THR C C 174.618 . 1 985 175 175 THR CA C 61.568 . 1 986 175 175 THR CB C 69.766 . 1 987 175 175 THR N N 115.984 . 1 988 176 176 THR H H 8.313 . 1 989 176 176 THR HA H 4.386 . 1 990 176 176 THR C C 174.536 . 1 991 176 176 THR CA C 61.735 . 1 992 176 176 THR CB C 69.85 . 1 993 176 176 THR N N 117.181 . 1 994 177 177 VAL H H 8.294 . 1 995 177 177 VAL C C 176.301 . 1 996 177 177 VAL CA C 62.43 . 1 997 177 177 VAL CB C 32.709 . 1 998 177 177 VAL N N 122.766 . 1 999 178 178 GLU H H 8.535 . 1 1000 178 178 GLU C C 176.646 . 1 1001 178 178 GLU CA C 56.625 . 1 1002 178 178 GLU CB C 30.13 . 1 1003 178 178 GLU N N 124.76 . 1 1004 179 179 GLU H H 8.464 . 1 1005 179 179 GLU C C 176.58 . 1 1006 179 179 GLU CA C 56.611 . 1 1007 179 179 GLU CB C 30.309 . 1 1008 179 179 GLU N N 122.382 . 1 1009 180 180 GLU H H 8.481 . 1 1010 180 180 GLU C C 176.493 . 1 1011 180 180 GLU CA C 56.356 . 1 1012 180 180 GLU CB C 30.2 . 1 1013 180 180 GLU N N 122.458 . 1 1014 181 181 LYS H H 8.413 . 1 1015 181 181 LYS HA H 4.287 . 1 1016 181 181 LYS C C 176.587 . 1 1017 181 181 LYS CA C 56.247 . 1 1018 181 181 LYS CB C 32.841 . 1 1019 181 181 LYS N N 123.238 . 1 1020 182 182 LYS H H 8.414 . 1 1021 182 182 LYS HA H 4.317 . 1 1022 182 182 LYS C C 176.416 . 1 1023 182 182 LYS CA C 56.194 . 1 1024 182 182 LYS CB C 32.968 . 1 1025 182 182 LYS N N 123.183 . 1 1026 183 183 ASP H H 8.435 . 1 1027 183 183 ASP HA H 4.578 . 1 1028 183 183 ASP C C 175.97 . 1 1029 183 183 ASP CA C 54.456 . 1 1030 183 183 ASP CB C 41.033 . 1 1031 183 183 ASP N N 121.471 . 1 1032 184 184 LYS H H 8.239 . 1 1033 184 184 LYS HA H 4.316 . 1 1034 184 184 LYS C C 175.687 . 1 1035 184 184 LYS CA C 56.156 . 1 1036 184 184 LYS CB C 33.061 . 1 1037 184 184 LYS N N 121.198 . 1 1038 185 185 GLU H H 8.094 . 1 1039 185 185 GLU C C 181.268 . 1 1040 185 185 GLU CA C 58.032 . 1 1041 185 185 GLU CB C 30.892 . 1 1042 185 185 GLU N N 127.333 . 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $TOPSPIN $SPARKY stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units s-1 _Mol_system_component_name ERD14 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 GLU N 0.831 0.079 2 4 GLU N 1.255 0.040 3 5 ILE N 1.425 0.014 4 6 LYS N 1.476 0.036 5 7 ASN N 1.444 0.083 6 8 VAL N 1.554 0.026 7 10 GLU N 1.559 0.016 8 11 GLN N 1.553 0.033 9 12 GLU N 1.541 0.040 10 13 VAL N 1.509 0.003 11 15 LYS N 1.528 0.017 12 16 VAL N 1.536 0.021 13 17 ALA N 1.478 0.030 14 18 THR N 1.404 0.045 15 19 GLU N 1.510 0.038 16 20 GLU N 1.522 0.049 17 21 SER N 1.449 0.081 18 22 SER N 1.405 0.066 19 23 ALA N 1.493 0.052 20 24 GLU N 1.514 0.032 21 25 VAL N 1.564 0.018 22 26 THR N 1.569 0.054 23 27 ASP N 1.622 0.057 24 28 ARG N 1.654 0.054 25 29 GLY N 1.619 0.053 26 30 LEU N 1.685 0.029 27 31 PHE N 1.662 0.034 28 32 ASP N 1.638 0.035 29 33 PHE N 1.647 0.043 30 34 LEU N 1.646 0.028 31 35 GLY N 1.629 0.048 32 36 LYS N 1.637 0.032 33 37 LYS N 1.633 0.038 34 38 LYS N 1.609 0.043 35 39 ASP N 1.606 0.048 36 40 GLU N 1.591 0.042 37 41 THR N 1.544 0.068 38 42 LYS N 1.512 0.036 39 44 GLU N 1.522 0.017 40 45 GLU N 1.603 0.027 41 46 THR N 1.448 0.041 42 48 ILE N 1.502 0.006 43 49 ALA N 1.519 0.024 44 50 SER N 1.420 0.054 45 51 GLU N 1.519 0.025 46 52 PHE N 1.591 0.038 47 53 GLU N 1.603 0.030 48 54 GLN N 1.559 0.043 49 55 LYS N 1.584 0.055 50 56 VAL N 1.545 0.029 51 57 HIS N 1.481 0.077 52 58 ILE N 1.453 0.050 53 59 SER N 1.417 0.046 54 60 GLU N 1.389 0.030 55 62 GLU N 1.508 0.031 56 64 GLU N 1.483 0.014 57 65 VAL N 1.486 0.014 58 66 LYS N 1.528 0.028 59 67 HIS N 1.495 0.051 60 68 GLU N 1.486 0.068 61 69 SER N 1.519 0.062 62 70 LEU N 1.608 0.056 63 71 LEU N 1.629 0.034 64 72 GLU N 1.616 0.024 65 73 LYS N 1.638 0.039 66 74 LEU N 1.668 0.031 67 75 HIS N 1.465 0.043 68 76 ARG N 1.587 0.084 69 77 SER N 1.506 0.097 70 78 ASP N 1.531 0.087 71 79 SER N 1.447 0.097 72 80 SER N 1.447 0.096 73 81 SER N 1.413 0.072 74 82 SER N 1.380 0.080 75 83 SER N 1.422 0.076 76 84 SER N 1.443 0.097 77 85 SER N 1.435 0.087 78 86 GLU N 1.587 0.071 79 87 GLU N 1.633 0.035 80 88 GLU N 1.612 0.037 81 89 GLY N 1.590 0.050 82 90 SER N 1.544 0.075 83 91 ASP N 1.595 0.079 84 92 GLY N 1.614 0.060 85 93 GLU N 1.671 0.039 86 94 LYS N 1.663 0.038 87 95 ARG N 1.675 0.060 88 96 LYS N 1.536 0.031 89 97 LYS N 1.649 0.039 90 98 LYS N 1.609 0.049 91 99 LYS N 1.601 0.051 92 100 GLU N 1.521 0.036 93 101 LYS N 1.530 0.046 94 102 LYS N 1.582 0.053 95 103 LYS N 1.532 0.034 96 105 THR N 1.480 0.058 97 106 THR N 1.470 0.062 98 107 GLU N 1.534 0.038 99 108 VAL N 1.502 0.019 100 109 GLU N 1.513 0.012 101 110 VAL N 1.497 0.010 102 111 LYS N 1.538 0.010 103 112 GLU N 1.549 0.022 104 113 GLU N 1.547 0.028 105 114 GLU N 1.581 0.031 106 115 LYS N 1.606 0.032 107 116 LYS N 1.558 0.038 108 117 GLY N 1.545 0.056 109 118 PHE N 1.564 0.047 110 119 MET N 1.572 0.039 111 120 GLU N 1.573 0.029 112 121 LYS N 1.593 0.024 113 122 LEU N 1.621 0.020 114 123 LYS N 1.597 0.029 115 124 GLU N 1.579 0.029 116 125 LYS N 1.611 0.024 117 126 LEU N 1.573 0.016 118 128 GLY N 1.563 0.056 119 129 HIS N 1.458 0.084 120 130 LYS N 1.565 0.055 121 131 LYS N 1.574 0.035 122 133 GLU N 1.605 0.038 123 134 ASP N 1.501 0.053 124 135 GLY N 1.470 0.071 125 136 SER N 1.479 0.072 126 137 ALA N 1.432 0.072 127 138 VAL N 1.317 0.024 128 139 ALA N 1.345 0.033 129 140 ALA N 1.255 0.030 130 141 ALA N 1.219 0.018 131 143 VAL N 1.414 0.015 132 144 VAL N 1.399 0.003 133 145 VAL N 1.403 0.006 134 149 VAL N 1.423 0.002 135 150 GLU N 1.469 0.014 136 151 GLU N 1.490 0.030 137 152 ALA N 1.493 0.030 138 153 HIS N 1.358 0.060 139 155 VAL N 1.472 0.016 140 156 GLU N 1.545 0.026 141 157 LYS N 1.538 0.047 142 158 LYS N 1.542 0.046 143 159 GLY N 1.521 0.055 144 160 ILE N 1.532 0.025 145 161 LEU N 1.612 0.020 146 162 GLU N 1.575 0.026 147 163 LYS N 1.605 0.032 148 164 ILE N 1.644 0.025 149 165 LYS N 1.613 0.021 150 166 GLU N 1.463 0.017 151 167 LYS N 1.598 0.030 152 168 LEU N 1.585 0.016 153 170 GLY N 1.492 0.075 154 171 TYR N 1.560 0.056 155 172 HIS N 1.554 0.068 156 174 LYS N 1.577 0.091 157 175 THR N 1.530 0.073 158 176 THR N 1.540 0.091 159 177 VAL N 1.577 0.029 160 178 GLU N 1.637 0.022 161 179 GLU N 1.623 0.030 162 180 GLU N 1.603 0.027 163 181 LYS N 1.611 0.049 164 182 LYS N 1.601 0.042 165 183 ASP N 1.539 0.048 166 184 LYS N 1.422 0.035 167 185 GLU N 1.224 0.008 stop_ save_ save_heteronuclear_T1rho_list_1 _Saveframe_category T1rho_relaxation _Details . loop_ _Software_label $TOPSPIN $SPARKY stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1rho_coherence_type Nz _T1rho_value_units s-1 _Text_data_format . _Text_data . loop_ _T1rho_ID _Residue_seq_code _Residue_label _Atom_name _T1rho_value _T1rho_value_error 1 3 GLU N 1.339 0.129 2 4 GLU N 1.731 0.009 3 5 ILE N 2.016 0.023 4 6 LYS N 2.247 0.013 5 7 ASN N 2.514 0.017 6 8 VAL N 3.634 0.020 7 10 GLU N 2.990 0.021 8 11 GLN N 3.115 0.010 9 12 GLU N 3.244 0.011 10 13 VAL N 3.215 0.020 11 15 LYS N 3.215 0.015 12 16 VAL N 3.672 0.013 13 17 ALA N 3.033 0.011 14 18 THR N 2.934 0.023 15 19 GLU N 3.141 0.015 16 20 GLU N 3.079 0.012 17 21 SER N 2.925 0.018 18 22 SER N 2.927 0.018 19 23 ALA N 3.169 0.008 20 24 GLU N 3.151 0.021 21 25 VAL N 3.772 0.022 22 26 THR N 3.691 0.012 23 27 ASP N 3.709 0.014 24 28 ARG N 4.148 0.011 25 29 GLY N 3.923 0.029 26 30 LEU N 4.713 0.011 27 31 PHE N 4.604 0.012 28 32 ASP N 4.794 0.015 29 33 PHE N 4.735 0.014 30 34 LEU N 4.695 0.057 31 35 GLY N 4.039 0.012 32 36 LYS N 4.878 0.013 33 37 LYS N 4.092 0.009 34 38 LYS N 4.294 0.018 35 39 ASP N 4.067 0.015 36 40 GLU N 3.675 0.010 37 41 THR N 3.698 0.011 38 42 LYS N 3.923 0.013 39 44 GLU N 3.978 0.011 40 45 GLU N 3.428 0.017 41 46 THR N 4.102 0.030 42 48 ILE N 3.815 0.016 43 49 ALA N 3.690 0.016 44 50 SER N 3.727 0.016 45 51 GLU N 4.340 0.012 46 52 PHE N 4.108 0.009 47 53 GLU N 4.244 0.010 48 54 GLN N 4.286 0.015 49 55 LYS N 3.655 0.018 50 56 VAL N 4.490 0.016 51 57 HIS N 4.396 0.024 52 58 ILE N 4.241 0.012 53 59 SER N 4.662 0.014 54 60 GLU N 4.697 0.022 55 62 GLU N 4.558 0.024 56 64 GLU N 4.721 0.009 57 65 VAL N 4.308 0.007 58 66 LYS N 4.836 0.014 59 67 HIS N 5.308 0.026 60 68 GLU N 4.845 0.031 61 69 SER N 5.200 0.022 62 70 LEU N 4.926 0.008 63 71 LEU N 4.638 0.021 64 72 GLU N 5.482 0.035 65 73 LYS N 4.805 0.027 66 74 LEU N 5.033 0.009 67 75 HIS N 4.120 0.027 68 76 ARG N 4.478 0.026 69 77 SER N 3.867 0.038 70 78 ASP N 3.544 0.031 71 79 SER N 3.145 0.028 72 80 SER N 3.056 0.048 73 81 SER N 2.775 0.034 74 82 SER N 2.577 0.026 75 83 SER N 2.729 0.023 76 84 SER N 2.870 0.030 77 85 SER N 2.894 0.028 78 86 GLU N 3.255 0.016 79 87 GLU N 3.173 0.010 80 88 GLU N 3.481 0.011 81 89 GLY N 3.159 0.017 82 90 SER N 3.674 0.018 83 91 ASP N 4.087 0.020 84 92 GLY N 4.023 0.014 85 93 GLU N 5.092 0.015 86 94 LYS N 5.008 0.015 87 95 ARG N 4.831 0.011 88 96 LYS N 3.664 0.014 89 97 LYS N 4.792 0.017 90 98 LYS N 4.401 0.029 91 99 LYS N 3.303 0.012 92 100 GLU N 4.390 0.015 93 101 LYS N 4.409 0.013 94 102 LYS N 4.460 0.021 95 103 LYS N 4.706 0.021 96 105 THR N 4.643 0.010 97 106 THR N 4.733 0.014 98 107 GLU N 4.496 0.019 99 108 VAL N 5.013 0.011 100 109 GLU N 5.097 0.020 101 110 VAL N 4.869 0.027 102 111 LYS N 5.903 0.016 103 112 GLU N 5.507 0.019 104 113 GLU N 5.631 0.024 105 114 GLU N 4.484 0.036 106 115 LYS N 5.280 0.020 107 116 LYS N 5.464 0.015 108 117 GLY N 5.203 0.022 109 118 PHE N 5.718 0.017 110 119 MET N 5.643 0.020 111 120 GLU N 4.955 0.031 112 121 LYS N 4.990 0.021 113 122 LEU N 5.577 0.011 114 123 LYS N 5.008 0.031 115 124 GLU N 4.990 0.007 116 125 LYS N 4.792 0.019 117 126 LEU N 4.263 0.017 118 128 GLY N 4.156 0.043 119 129 HIS N 3.717 0.061 120 130 LYS N 4.042 0.024 121 131 LYS N 3.716 0.009 122 133 GLU N 3.509 0.010 123 134 ASP N 3.598 0.017 124 135 GLY N 2.898 0.013 125 136 SER N 3.205 0.014 126 137 ALA N 2.731 0.020 127 138 VAL N 2.558 0.028 128 139 ALA N 2.804 0.013 129 140 ALA N 2.996 0.018 130 141 ALA N 3.814 0.018 131 143 VAL N 4.143 0.013 132 144 VAL N 3.788 0.015 133 145 VAL N 4.615 0.036 134 149 VAL N 4.409 0.017 135 150 GLU N 4.129 0.011 136 151 GLU N 4.407 0.015 137 152 ALA N 3.685 0.011 138 153 HIS N 4.036 0.020 139 155 VAL N 3.814 0.031 140 156 GLU N 4.049 0.015 141 157 LYS N 4.423 0.012 142 158 LYS N 3.833 0.011 143 159 GLY N 3.561 0.017 144 160 ILE N 4.241 0.014 145 161 LEU N 4.900 0.012 146 162 GLU N 4.666 0.009 147 163 LYS N 4.836 0.012 148 164 ILE N 4.535 0.022 149 165 LYS N 4.900 0.012 150 166 GLU N 4.572 0.024 151 167 LYS N 4.638 0.026 152 168 LEU N 4.297 0.009 153 170 GLY N 3.823 0.015 154 171 TYR N 4.294 0.012 155 172 HIS N 4.068 0.031 156 174 LYS N 4.141 0.021 157 175 THR N 3.663 0.015 158 176 THR N 3.592 0.016 159 177 VAL N 3.587 0.014 160 178 GLU N 3.461 0.012 161 179 GLU N 3.237 0.015 162 180 GLU N 3.388 0.007 163 181 LYS N 2.920 0.010 164 182 LYS N 2.999 0.017 165 183 ASP N 2.417 0.007 166 184 LYS N 2.050 0.013 167 185 GLU N 1.510 0.009 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $TOPSPIN $SPARKY stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type Nz _T2_value_units s-1 _Mol_system_component_name ERD14 _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 3 GLU N 2.036 0.090 . . 2 4 GLU N 1.674 0.038 . . 3 5 ILE N 1.957 0.017 . . 4 6 LYS N 2.208 0.038 . . 5 7 ASN N 2.435 0.079 . . 6 8 VAL N 3.305 0.039 . . 7 10 GLU N 2.966 0.019 . . 8 11 GLN N 3.118 0.041 . . 9 12 GLU N 3.138 0.043 . . 10 13 VAL N 3.205 0.012 . . 11 15 LYS N 3.117 0.042 . . 12 16 VAL N 3.621 0.045 . . 13 17 ALA N 3.113 0.042 . . 14 18 THR N 2.912 0.061 . . 15 19 GLU N 3.096 0.068 . . 16 20 GLU N 3.017 0.057 . . 17 21 SER N 2.888 0.061 . . 18 22 SER N 2.939 0.099 . . 19 23 ALA N 3.085 0.068 . . 20 24 GLU N 3.150 0.042 . . 21 25 VAL N 3.757 0.035 . . 22 26 THR N 3.628 0.065 . . 23 27 ASP N 3.737 0.078 . . 24 28 ARG N 4.114 0.055 . . 25 29 GLY N 4.044 0.084 . . 26 30 LEU N 4.655 0.050 . . 27 31 PHE N 4.554 0.052 . . 28 32 ASP N 4.815 0.056 . . 29 33 PHE N 4.697 0.061 . . 30 34 LEU N 4.600 0.040 . . 31 35 GLY N 4.198 0.074 . . 32 36 LYS N 4.789 0.054 . . 33 37 LYS N 4.026 0.070 . . 34 38 LYS N 4.292 0.061 . . 35 39 ASP N 4.026 0.089 . . 36 40 GLU N 3.617 0.051 . . 37 41 THR N 3.672 0.090 . . 38 42 LYS N 3.782 0.053 . . 39 44 GLU N 3.971 0.027 . . 40 45 GLU N 3.398 0.037 . . 41 46 THR N 3.987 0.052 . . 42 48 ILE N 3.647 0.018 . . 43 49 ALA N 3.750 0.036 . . 44 50 SER N 3.691 0.069 . . 45 51 GLU N 4.294 0.049 . . 46 52 PHE N 4.042 0.048 . . 47 53 GLU N 4.137 0.048 . . 48 54 GLN N 4.207 0.065 . . 49 55 LYS N 3.596 0.063 . . 50 56 VAL N 4.529 0.039 . . 51 57 HIS N 4.243 0.117 . . 52 58 ILE N 4.179 0.123 . . 53 59 SER N 4.704 0.086 . . 54 60 GLU N 4.615 0.089 . . 55 62 GLU N 4.405 0.055 . . 56 64 GLU N 4.742 0.040 . . 57 65 VAL N 4.098 0.056 . . 58 66 LYS N 4.833 0.071 . . 59 67 HIS N 5.402 0.066 . . 60 68 GLU N 4.771 0.111 . . 61 69 SER N 5.184 0.103 . . 62 70 LEU N 4.776 0.100 . . 63 71 LEU N 4.651 0.039 . . 64 72 GLU N 5.552 0.038 . . 65 73 LYS N 4.817 0.052 . . 66 74 LEU N 5.015 0.055 . . 67 75 HIS N 4.119 0.068 . . 68 76 ARG N 4.492 0.115 . . 69 77 SER N 3.798 0.126 . . 70 78 ASP N 3.530 0.084 . . 71 79 SER N 3.161 0.094 . . 72 80 SER N 2.964 0.089 . . 73 81 SER N 2.762 0.110 . . 74 82 SER N 2.656 0.087 . . 75 83 SER N 2.755 0.107 . . 76 84 SER N 2.844 0.091 . . 77 85 SER N 2.874 0.107 . . 78 86 GLU N 3.203 0.092 . . 79 87 GLU N 3.166 0.045 . . 80 88 GLU N 3.441 0.047 . . 81 89 GLY N 3.301 0.079 . . 82 90 SER N 3.592 0.079 . . 83 91 ASP N 3.997 0.102 . . 84 92 GLY N 4.158 0.096 . . 85 93 GLU N 4.993 0.080 . . 86 94 LYS N 4.941 0.068 . . 87 95 ARG N 4.850 0.068 . . 88 96 LYS N 3.501 0.038 . . 89 97 LYS N 4.713 0.075 . . 90 98 LYS N 4.472 0.054 . . 91 99 LYS N 3.146 0.069 . . 92 100 GLU N 4.369 0.055 . . 93 101 LYS N 4.348 0.055 . . 94 102 LYS N 4.352 0.116 . . 95 103 LYS N 4.621 0.084 . . 96 105 THR N 4.502 0.085 . . 97 106 THR N 4.572 0.116 . . 98 107 GLU N 4.388 0.091 . . 99 108 VAL N 5.003 0.040 . . 100 109 GLU N 4.998 0.075 . . 101 110 VAL N 4.780 0.043 . . 102 111 LYS N 5.841 0.073 . . 103 112 GLU N 5.444 0.060 . . 104 113 GLU N 5.705 0.065 . . 105 114 GLU N 4.492 0.075 . . 106 115 LYS N 5.214 0.066 . . 107 116 LYS N 5.453 0.072 . . 108 117 GLY N 5.280 0.129 . . 109 118 PHE N 5.663 0.079 . . 110 119 MET N 5.688 0.092 . . 111 120 GLU N 4.933 0.079 . . 112 121 LYS N 4.885 0.079 . . 113 122 LEU N 5.580 0.058 . . 114 123 LYS N 4.985 0.062 . . 115 124 GLU N 5.058 0.056 . . 116 125 LYS N 4.669 0.048 . . 117 126 LEU N 4.235 0.063 . . 118 128 GLY N 4.072 0.085 . . 119 129 HIS N 3.755 0.134 . . 120 130 LYS N 3.935 0.112 . . 121 131 LYS N 3.666 0.062 . . 122 133 GLU N 3.510 0.059 . . 123 134 ASP N 3.415 0.049 . . 124 135 GLY N 2.889 0.080 . . 125 136 SER N 3.208 0.096 . . 126 137 ALA N 2.591 0.091 . . 127 138 VAL N 2.618 0.031 . . 128 139 ALA N 2.820 0.047 . . 129 140 ALA N 2.957 0.043 . . 130 141 ALA N 3.782 0.049 . . 131 143 VAL N 4.016 0.016 . . 132 144 VAL N 3.795 0.040 . . 133 145 VAL N 4.888 0.063 . . 134 149 VAL N 4.382 0.019 . . 135 150 GLU N 4.149 0.034 . . 136 151 GLU N 4.374 0.060 . . 137 152 ALA N 3.720 0.059 . . 138 153 HIS N 3.954 0.098 . . 139 155 VAL N 3.870 0.030 . . 140 156 GLU N 3.954 0.058 . . 141 157 LYS N 4.323 0.096 . . 142 158 LYS N 4.003 0.065 . . 143 159 GLY N 3.740 0.107 . . 144 160 ILE N 4.268 0.036 . . 145 161 LEU N 4.888 0.059 . . 146 162 GLU N 4.619 0.043 . . 147 163 LYS N 4.907 0.065 . . 148 164 ILE N 4.359 0.038 . . 149 165 LYS N 4.798 0.059 . . 150 166 GLU N 4.448 0.042 . . 151 167 LYS N 4.421 0.079 . . 152 168 LEU N 4.274 0.025 . . 153 170 GLY N 3.925 0.101 . . 154 171 TYR N 4.314 0.087 . . 155 172 HIS N 3.997 0.113 . . 156 174 LYS N 4.085 0.103 . . 157 175 THR N 3.678 0.104 . . 158 176 THR N 3.524 0.089 . . 159 177 VAL N 3.514 0.034 . . 160 178 GLU N 3.401 0.047 . . 161 179 GLU N 3.256 0.035 . . 162 180 GLU N 3.398 0.040 . . 163 181 LYS N 2.833 0.048 . . 164 182 LYS N 2.894 0.044 . . 165 183 ASP N 2.279 0.047 . . 166 184 LYS N 2.073 0.032 . . 167 185 GLU N 1.468 0.010 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $TOPSPIN $SPARKY stop_ loop_ _Experiment_label 'hetNOE measurement' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name ERD14 _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 GLU -1.031 0.052 4 GLU -0.749 0.001 5 ILE -0.419 0.003 6 LYS -0.342 0.010 7 ASN -0.126 0.012 8 VAL 0.064 0.001 10 GLU -0.032 0.002 11 GLN 0.002 0.000 12 GLU 0.009 0.005 13 VAL -0.046 0.002 15 LYS -0.043 0.001 16 VAL 0.050 0.002 17 ALA -0.074 0.004 18 THR -0.098 0.002 19 GLU -0.044 0.005 20 GLU -0.046 0.001 21 SER -0.080 0.001 22 SER -0.058 0.003 23 ALA -0.016 0.005 24 GLU 0.010 0.003 25 VAL 0.077 0.002 26 THR 0.071 0.001 27 ASP 0.123 0.005 28 ARG 0.219 0.005 29 GLY 0.235 0.003 30 LEU 0.283 0.008 31 PHE 0.247 0.009 32 ASP 0.202 0.008 33 PHE 0.266 0.008 34 LEU 0.235 0.019 35 GLY 0.243 0.009 36 LYS 0.233 0.014 37 LYS 0.184 0.007 38 LYS 0.177 0.012 39 ASP 0.160 0.002 40 GLU 0.120 0.002 41 THR 0.135 0.002 42 LYS 0.015 0.004 44 GLU 0.011 0.005 45 GLU 0.069 0.002 46 THR 0.037 0.003 48 ILE -0.003 0.001 49 ALA 0.003 0.002 50 SER 0.041 0.006 51 GLU 0.054 0.003 52 PHE 0.107 0.004 53 GLU 0.112 0.005 54 GLN 0.094 0.003 55 LYS 0.097 0.003 56 VAL 0.081 0.005 57 HIS 0.032 0.006 58 ILE -0.032 0.002 59 SER -0.079 0.003 60 GLU -0.051 0.003 62 GLU 0.032 0.005 64 GLU 0.035 0.006 65 VAL 0.057 0.003 66 LYS 0.057 0.005 67 HIS 0.134 0.005 68 GLU 0.147 0.003 69 SER 0.192 0.011 70 LEU 0.223 0.016 71 LEU 0.244 0.019 72 GLU 0.243 0.012 73 LYS 0.216 0.010 74 LEU 0.250 0.033 75 HIS 0.099 0.011 76 ARG 0.218 0.001 77 SER 0.186 0.003 78 ASP 0.123 0.002 79 SER 0.044 0.008 80 SER 0.018 0.001 81 SER -0.018 0.001 82 SER -0.076 0.008 83 SER -0.035 0.000 84 SER -0.017 0.001 85 SER -0.019 0.002 86 GLU 0.087 0.001 87 GLU 0.084 0.003 88 GLU 0.104 0.001 89 GLY 0.111 0.007 90 SER 0.164 0.005 91 ASP 0.201 0.001 92 GLY 0.235 0.007 93 GLU 0.276 0.015 94 LYS 0.224 0.004 95 ARG 0.289 0.001 96 LYS 0.022 0.004 97 LYS 0.260 0.007 98 LYS 0.178 0.006 99 LYS 0.109 0.002 100 GLU 0.073 0.002 101 LYS 0.109 0.003 102 LYS 0.143 0.004 103 LYS 0.087 0.003 105 THR 0.080 0.003 106 THR 0.092 0.002 107 GLU 0.082 0.001 108 VAL 0.119 0.002 109 GLU 0.029 0.012 110 VAL 0.063 0.006 111 LYS 0.073 0.006 112 GLU 0.175 0.004 113 GLU 0.163 0.005 114 GLU 0.149 0.010 115 LYS 0.189 0.004 116 LYS 0.197 0.008 117 GLY 0.214 0.002 118 PHE 0.269 0.005 119 MET 0.205 0.008 120 GLU 0.159 0.007 121 LYS 0.166 0.008 122 LEU 0.209 0.008 123 LYS 0.215 0.009 124 GLU 0.175 0.004 125 LYS 0.157 0.014 126 LEU 0.110 0.011 128 GLY 0.174 0.004 129 HIS 0.171 0.007 130 LYS 0.140 0.007 131 LYS 0.050 0.010 133 GLU 0.076 0.008 134 ASP 0.023 0.005 135 GLY -0.034 0.006 136 SER 0.055 0.002 137 ALA -0.101 0.004 138 VAL -0.290 0.000 139 ALA -0.329 0.001 140 ALA -0.317 0.000 141 ALA -0.308 -0.001 143 VAL -0.153 -0.001 144 VAL -0.146 0.001 145 VAL -0.100 0.001 149 VAL -0.009 0.006 150 GLU -0.026 0.007 151 GLU 0.040 0.001 152 ALA 0.004 0.003 153 HIS -0.084 -0.002 155 VAL -0.026 0.008 156 GLU 0.014 0.003 157 LYS 0.093 0.001 158 LYS 0.088 0.003 159 GLY 0.079 0.001 160 ILE 0.152 0.005 161 LEU 0.128 0.013 162 GLU 0.134 0.012 163 LYS 0.162 0.010 164 ILE 0.206 0.011 165 LYS 0.130 0.013 166 GLU 0.050 0.007 167 LYS 0.174 0.003 168 LEU 0.160 0.021 170 GLY 0.142 0.016 171 TYR 0.270 0.023 172 HIS 0.166 0.009 174 LYS 0.174 0.011 175 THR 0.124 0.010 176 THR 0.110 0.008 177 VAL 0.070 0.006 178 GLU 0.067 0.005 179 GLU 0.085 0.002 180 GLU 0.074 0.001 181 LYS 0.029 0.003 182 LYS 0.028 0.004 183 ASP -0.130 0.006 184 LYS -0.320 0.001 185 GLU -0.762 0.010 stop_ save_