data_25035 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Amide 1H and 15N chemical shift assignments and 15N relaxation parameters of the troponin C-troponin I hybrid proteins cChimeraX ; _BMRB_accession_number 25035 _BMRB_flat_file_name bmr25035.str _Entry_type original _Submission_date 2014-06-20 _Accession_date 2014-06-20 _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 'Pineda Sanabria' Sandra E. . 2 Sykes Brian D. . 3 Julien Olivier . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 2 T1_relaxation 2 T2_relaxation 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 101 "13C chemical shifts" 188 "15N chemical shifts" 101 "T1 relaxation values" 194 "T2 relaxation values" 201 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-09-26 update BMRB 'update entry citation' 2014-09-18 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25034 'troponin C-troponin I hybrid proteins cChimera' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Versatile cardiac troponin chimera for muscle protein structural biology and drug discovery.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25010113 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pineda-Sanabria Sandra E. . 2 Julien Olivier . . 3 Sykes Brian D. . stop_ _Journal_abbreviation 'ACS Chem. Biol.' _Journal_name_full 'ACS chemical biology' _Journal_volume 9 _Journal_issue 9 _Journal_ISSN 1554-8937 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2121 _Page_last 2130 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'cChimeraX Ca2+ bound' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label cChimeraX $cChimeraX 'CALCIUM ION' $entity_CA stop_ _System_molecular_weight 15977 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_cChimeraX _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common cChimeraX _Molecular_mass 15937 _Mol_thiol_state 'all free' loop_ _Biological_function 'Cardiac muscle contraction' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 141 _Mol_residue_sequence ; MHHHHHHGGLVPRGSMDDIY KAAVEQLTEEQKNEFKAAFD IFVLGAEDGSISTKELGKVM RMLGQNPTPEELQEMIDEVD EDGSGTVDFDEFLVMMVRCM KDDSENLYFQGRRVRISADA MMQALLGARAKESLDLRAHL K ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -15 MET 2 -14 HIS 3 -13 HIS 4 -12 HIS 5 -11 HIS 6 -10 HIS 7 -9 HIS 8 -8 GLY 9 -7 GLY 10 -6 LEU 11 -5 VAL 12 -4 PRO 13 -3 ARG 14 -2 GLY 15 -1 SER 16 1 MET 17 2 ASP 18 3 ASP 19 4 ILE 20 5 TYR 21 6 LYS 22 7 ALA 23 8 ALA 24 9 VAL 25 10 GLU 26 11 GLN 27 12 LEU 28 13 THR 29 14 GLU 30 15 GLU 31 16 GLN 32 17 LYS 33 18 ASN 34 19 GLU 35 20 PHE 36 21 LYS 37 22 ALA 38 23 ALA 39 24 PHE 40 25 ASP 41 26 ILE 42 27 PHE 43 28 VAL 44 29 LEU 45 30 GLY 46 31 ALA 47 32 GLU 48 33 ASP 49 34 GLY 50 35 SER 51 36 ILE 52 37 SER 53 38 THR 54 39 LYS 55 40 GLU 56 41 LEU 57 42 GLY 58 43 LYS 59 44 VAL 60 45 MET 61 46 ARG 62 47 MET 63 48 LEU 64 49 GLY 65 50 GLN 66 51 ASN 67 52 PRO 68 53 THR 69 54 PRO 70 55 GLU 71 56 GLU 72 57 LEU 73 58 GLN 74 59 GLU 75 60 MET 76 61 ILE 77 62 ASP 78 63 GLU 79 64 VAL 80 65 ASP 81 66 GLU 82 67 ASP 83 68 GLY 84 69 SER 85 70 GLY 86 71 THR 87 72 VAL 88 73 ASP 89 74 PHE 90 75 ASP 91 76 GLU 92 77 PHE 93 78 LEU 94 79 VAL 95 80 MET 96 81 MET 97 82 VAL 98 83 ARG 99 84 CYS 100 85 MET 101 86 LYS 102 87 ASP 103 88 ASP 104 89 SER 105 90 GLU 106 91 ASN 107 92 LEU 108 93 TYR 109 94 PHE 110 95 GLN 111 96 GLY 112 144 ARG 113 145 ARG 114 146 VAL 115 147 ARG 116 148 ILE 117 149 SER 118 150 ALA 119 151 ASP 120 152 ALA 121 153 MET 122 154 MET 123 155 GLN 124 156 ALA 125 157 LEU 126 158 LEU 127 159 GLY 128 160 ALA 129 161 ARG 130 162 ALA 131 163 LYS 132 164 GLU 133 165 SER 134 166 LEU 135 167 ASP 136 168 LEU 137 169 ARG 138 170 ALA 139 171 HIS 140 172 LEU 141 173 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 15385 F104W 63.12 161 98.88 98.88 1.25e-53 BMRB 15388 F153W 63.12 161 98.88 98.88 1.25e-53 BMRB 15400 F153(FTR) 63.12 161 98.88 98.88 1.17e-53 BMRB 15427 F104(FTR) 63.12 161 98.88 98.88 1.25e-53 BMRB 16190 cNTnC 63.12 89 98.88 98.88 1.51e-54 BMRB 16752 TnC 63.12 161 98.88 98.88 4.10e-54 BMRB 17103 cNTnC 63.12 89 98.88 98.88 4.61e-55 BMRB 19789 cNTnC 63.12 89 98.88 98.88 4.61e-55 BMRB 25120 cTnC 63.12 161 98.88 98.88 1.41e-53 BMRB 25495 cNTnC 63.12 89 98.88 98.88 4.61e-55 BMRB 25797 entity_1 63.12 89 97.75 97.75 1.63e-53 PDB 1AJ4 "Structure Of Calcium-Saturated Cardiac Troponin C, Nmr, 1 Structure" 61.70 161 98.85 98.85 4.59e-52 PDB 1AP4 "Regulatory Domain Of Human Cardiac Troponin C In The Calcium-Saturated State, Nmr, 40 Structures" 63.12 89 98.88 98.88 4.61e-55 PDB 1DTL "Crystal Structure Of Calcium-Saturated (3ca2+) Cardiac Troponin C Complexed With The Calcium Sensitizer Bepridil At 2.15 A Reso" 63.12 161 98.88 98.88 1.59e-53 PDB 1J1D "Crystal Structure Of The 46kda Domain Of Human Cardiac Troponin In The Ca2+ Saturated Form" 63.12 161 98.88 98.88 1.59e-53 PDB 1J1E "Crystal Structure Of The 52kda Domain Of Human Cardiac Troponin In The Ca2+ Saturated Form" 63.12 161 98.88 98.88 1.59e-53 PDB 1LA0 "Solution Structure Of Calcium Saturated Cardiac Troponin C In The Troponin C-Troponin I Complex" 63.12 161 98.88 98.88 4.10e-54 PDB 1LXF "Structure Of The Regulatory N-Domain Of Human Cardiac Troponin C In Complex With Human Cardiac Troponin-I(147- 163) And Bepridi" 63.12 89 98.88 98.88 4.61e-55 PDB 1MXL "Structure Of Cardiac Troponin C-troponin I Complex" 63.12 89 98.88 98.88 4.61e-55 PDB 1SPY "Regulatory Domain Of Human Cardiac Troponin C In The Calcium-Free State, Nmr, 40 Structures" 63.12 89 98.88 98.88 4.61e-55 PDB 1WRK "Crystal Structure Of The N-Terminal Domain Of Human Cardiac Troponin C In Complex With Trifluoperazine (Orthrombic Crystal Form" 62.41 88 98.86 98.86 9.93e-54 PDB 1WRL "Crystal Structure Of The N-Terminal Domain Of Human Cardiac Troponin C In Complex With Trifluoperazine (Monoclinic Crystal Form" 62.41 88 98.86 98.86 9.93e-54 PDB 2CTN "Structure Of Calcium-Saturated Cardiac Troponin C, Nmr, 30 Structures" 61.70 89 98.85 98.85 3.73e-53 PDB 2JT0 "Solution Structure Of F104w Cardiac Troponin C" 63.12 161 98.88 98.88 1.25e-53 PDB 2JT3 "Solution Structure Of F153w Cardiac Troponin C" 63.12 161 98.88 98.88 1.25e-53 PDB 2JT8 "Solution Structure Of The F153-To-5-Flurotryptophan Mutant Of Human Cardiac Troponin C" 63.12 161 98.88 98.88 1.17e-53 PDB 2JTZ "Solution Structure And Chemical Shift Assignments Of The F104-To-5-Flurotryptophan Mutant Of Cardiac Troponin C" 63.12 161 98.88 98.88 1.17e-53 PDB 2KFX "Structure Of The N-Terminal Domain Of Human Cardiac Troponin C Bound To Calcium Ion And To The Inhibitor W7" 63.12 89 98.88 98.88 1.51e-54 PDB 2KGB "Nmr Solution Of The Regulatory Domain Cardiac F77w-Troponin C In Complex With The Cardiac Troponin I 144-163 Switch Peptide" 63.12 89 97.75 98.88 1.17e-54 PDB 2KRD "Solution Structure Of The Regulatory Domain Of Human Cardiac C In Complex With The Switch Region Of Cardiac Troponin I A" 63.12 89 98.88 98.88 4.61e-55 PDB 2L1R "The Structure Of The Calcium-Sensitizer, Dfbp-O, In Complex With The N-Domain Of Troponin C And The Switch Region Of Troponin I" 63.12 89 98.88 98.88 4.61e-55 PDB 2MKP "N Domain Of Cardiac Troponin C Bound To The Switch Fragment Of Fast Skeletal Troponin I At Ph 6" 63.12 89 98.88 98.88 4.61e-55 PDB 2MZP "Structure And Dynamics Of The Acidosis-resistant A162h Mutant Of The Switch Region Of Troponin I Bound To The Regulatory Domain" 63.12 89 98.88 98.88 4.61e-55 PDB 3SD6 "Crystal Structure Of The Amino-terminal Domain Of Human Cardiac Troponin C In Complex With Cadmium At 1.4 Resolution." 63.12 89 98.88 98.88 4.61e-55 PDB 3SWB "Crystal Structure Of The Amino-terminal Domain Of Human Cardiac Troponin C In Complex With Cadmium At 1.7 A Resolution" 63.12 89 98.88 98.88 4.61e-55 PDB 4GJE "Crystal Structure Of The Refolded Amino-terminal Domain Of Human Cardiac Troponin C In Complex With Cadmium" 63.12 89 98.88 98.88 4.61e-55 PDB 4GJF "Crystal Structure Of The Amino-terminal Domain Of Human Cardiac Troponin C Mutant L29q In Complex With Cadmium" 63.12 89 97.75 97.75 4.88e-54 DBJ BAA02369 "cardiac troponin C [Gallus gallus]" 63.12 161 98.88 98.88 4.10e-54 DBJ BAG36483 "unnamed protein product [Homo sapiens]" 63.12 161 98.88 98.88 4.43e-54 EMBL CAA30736 "unnamed protein product [Homo sapiens]" 63.12 161 98.88 98.88 4.43e-54 EMBL CAG46663 "TNNC1 [Homo sapiens]" 63.12 161 98.88 98.88 4.43e-54 EMBL CAG46683 "TNNC1 [Homo sapiens]" 63.12 161 98.88 98.88 4.43e-54 GB AAA36772 "slow twitch skeletal/cardiac muscle troponin C [Homo sapiens]" 63.12 161 98.88 98.88 4.43e-54 GB AAA37492 "slow/cardiac troponin C, partial [Mus musculus]" 63.12 161 98.88 98.88 4.48e-54 GB AAA37493 "slow/cardiac troponin C [Mus musculus]" 63.12 161 98.88 98.88 4.48e-54 GB AAA48654 "slow muscle troponin C [Gallus gallus]" 63.12 161 98.88 98.88 4.10e-54 GB AAB91994 "cardiac ventricular troponin C [Homo sapiens]" 63.12 160 98.88 98.88 5.00e-54 PIR S07450 "troponin C - quail [Phasianidae gen. sp.]" 63.12 161 97.75 98.88 9.77e-54 PIR TPHUCC "troponin C, cardiac and slow skeletal muscle - human" 63.12 161 98.88 98.88 4.43e-54 PRF 1403394A "slow/cardiac troponin C [Phasianidae gen. sp.]" 63.12 161 97.75 98.88 9.77e-54 PRF 1510257A "troponin C" 63.12 161 98.88 98.88 3.89e-54 PRF 750650A "troponin c,cardiac" 63.12 161 98.88 98.88 3.89e-54 REF NP_001029277 "troponin C, slow skeletal and cardiac muscles [Rattus norvegicus]" 63.12 161 98.88 98.88 4.48e-54 REF NP_001029523 "troponin C, slow skeletal and cardiac muscles [Bos taurus]" 63.12 161 98.88 98.88 3.89e-54 REF NP_001123715 "troponin C, slow skeletal and cardiac muscles [Sus scrofa]" 63.12 161 98.88 98.88 3.89e-54 REF NP_001272501 "troponin C, slow skeletal and cardiac muscles [Capra hircus]" 63.12 161 98.88 98.88 3.89e-54 REF NP_001291793 "troponin C type 1 (slow) [Ailuropoda melanoleuca]" 63.12 161 98.88 98.88 5.21e-54 SP P02591 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" 63.12 161 98.88 98.88 4.43e-54 SP P05936 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" 63.12 161 97.75 98.88 9.77e-54 SP P09860 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" 63.12 161 98.88 98.88 4.10e-54 SP P19123 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" 63.12 161 98.88 98.88 4.48e-54 SP P63315 "RecName: Full=Troponin C, slow skeletal and cardiac muscles; Short=TN-C" 63.12 161 98.88 98.88 3.89e-54 TPG DAA16908 "TPA: troponin C, slow skeletal and cardiac muscles [Bos taurus]" 63.12 161 98.88 98.88 3.89e-54 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_CA (CALCIUM ION)" _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $cChimeraX 'E. coli' 562 Bacteria . Escherichia coli 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 $cChimeraX 'recombinant technology' . Escherichia coli . pet3a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'pH 6.9' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $cChimeraX . mM 0.5 0.8 '[U-100% 15N]' $entity_CA 2 mM . . 'natural abundance' DTT 10 mM . . 'natural abundance' 'potassium chloride' 100 mM . . 'natural abundance' imidazole 10 mM . . 'natural abundance' D2O 5 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 8.2.33 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNHA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 303 . K pH 6.9 . pH pressure 1 . atm 'ionic strength' 0.1 . M 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_cChim _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HNHA' 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 cChimeraX _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 -8 8 GLY CA C 45.5219 0.0000 1 2 -7 9 GLY H H 8.3448 0.0016 1 3 -7 9 GLY CA C 45.2116 0.0518 1 4 -7 9 GLY N N 108.9024 0.1195 1 5 -6 10 LEU H H 8.1405 0.0018 1 6 -6 10 LEU CA C 55.6184 0.0000 1 7 -6 10 LEU CB C 42.1496 0.0000 1 8 -6 10 LEU N N 121.7447 0.1071 1 9 -4 12 PRO CA C 63.1270 0.0349 1 10 -4 12 PRO CB C 32.1402 0.0104 1 11 -3 13 ARG H H 8.5026 0.0027 1 12 -3 13 ARG CA C 56.5091 0.0197 1 13 -3 13 ARG CB C 30.9362 0.0188 1 14 -3 13 ARG N N 122.1058 0.1155 1 15 -2 14 GLY H H 8.5886 0.0031 1 16 -2 14 GLY CA C 45.4270 0.0242 1 17 -2 14 GLY N N 110.3537 0.1073 1 18 -1 15 SER H H 8.3040 0.0133 1 19 -1 15 SER N N 115.9212 0.2106 1 20 6 21 LYS CB C 32.2075 0.0000 1 21 7 22 ALA H H 7.8759 0.0100 1 22 7 22 ALA CA C 54.6950 0.0814 1 23 7 22 ALA CB C 17.9882 0.0069 1 24 7 22 ALA N N 120.9562 0.2151 1 25 8 23 ALA H H 7.6198 0.0029 1 26 8 23 ALA CA C 54.8478 0.1478 1 27 8 23 ALA CB C 18.3125 0.1103 1 28 8 23 ALA N N 120.2780 0.1254 1 29 9 24 VAL H H 8.0087 0.0028 1 30 9 24 VAL CA C 66.3309 0.0515 1 31 9 24 VAL CB C 31.8040 0.0000 1 32 9 24 VAL N N 119.2659 0.1130 1 33 10 25 GLU H H 7.7224 0.0038 1 34 10 25 GLU CA C 58.3295 0.0000 1 35 10 25 GLU CB C 29.6015 0.0283 1 36 10 25 GLU N N 118.4634 0.1683 1 37 11 26 GLN H H 7.4003 0.0023 1 38 11 26 GLN CA C 55.5774 0.0061 1 39 11 26 GLN CB C 29.4419 0.0116 1 40 11 26 GLN N N 114.7875 0.1488 1 41 12 27 LEU H H 7.4132 0.0033 1 42 12 27 LEU CA C 55.3884 0.1304 1 43 12 27 LEU N N 120.8602 0.1071 1 44 13 28 THR H H 8.9475 0.0043 1 45 13 28 THR CA C 60.6869 0.0643 1 46 13 28 THR CB C 71.2084 0.0452 1 47 13 28 THR N N 113.9588 0.2019 1 48 14 29 GLU H H 9.0380 0.0056 1 49 14 29 GLU CA C 59.9850 0.0977 1 50 14 29 GLU CB C 29.3367 0.0032 1 51 14 29 GLU N N 121.7460 0.1182 1 52 15 30 GLU H H 8.6524 0.0017 1 53 15 30 GLU CA C 60.2712 0.0461 1 54 15 30 GLU CB C 29.1589 0.1437 1 55 15 30 GLU N N 117.7987 0.1323 1 56 16 31 GLN H H 7.8828 0.0033 1 57 16 31 GLN CA C 58.9059 0.0000 1 58 16 31 GLN CB C 29.5225 0.0000 1 59 16 31 GLN N N 119.2769 0.0324 1 60 17 32 LYS H H 8.6058 0.0019 1 61 17 32 LYS CA C 61.8726 0.0607 1 62 17 32 LYS CB C 32.1438 0.0260 1 63 17 32 LYS N N 118.8460 0.1270 1 64 18 33 ASN H H 8.5833 0.0019 1 65 18 33 ASN CA C 56.1849 0.1532 1 66 18 33 ASN CB C 37.9223 0.0685 1 67 18 33 ASN N N 117.9046 0.1571 1 68 19 34 GLU H H 8.0255 0.0035 1 69 19 34 GLU CA C 59.6081 0.0235 1 70 19 34 GLU CB C 29.2837 0.0000 1 71 19 34 GLU N N 123.4569 0.1463 1 72 20 35 PHE H H 8.4588 0.0033 1 73 20 35 PHE N N 117.5942 0.0454 1 74 21 36 LYS H H 8.9777 0.0049 1 75 21 36 LYS CA C 58.5447 0.0293 1 76 21 36 LYS CB C 31.8149 0.0470 1 77 21 36 LYS N N 122.9140 0.1248 1 78 22 37 ALA H H 7.8522 0.0036 1 79 22 37 ALA CB C 17.8765 0.0000 1 80 22 37 ALA N N 121.6216 0.1604 1 81 23 38 ALA CA C 55.1984 0.0000 1 82 23 38 ALA CB C 18.8831 0.0000 1 83 24 39 PHE H H 9.0355 0.0090 1 84 24 39 PHE CA C 55.2182 0.0000 1 85 24 39 PHE N N 121.4687 0.0823 1 86 25 40 ASP H H 8.6307 0.0011 1 87 25 40 ASP CA C 56.9659 0.0222 1 88 25 40 ASP CB C 39.9672 0.0048 1 89 25 40 ASP N N 116.8833 0.0838 1 90 26 41 ILE H H 7.2880 0.0016 1 91 26 41 ILE CA C 63.6844 0.0000 1 92 26 41 ILE CB C 37.7555 0.0000 1 93 26 41 ILE N N 119.3389 0.0990 1 94 28 43 VAL H H 7.5800 0.0060 1 95 28 43 VAL CA C 61.1949 0.0714 1 96 28 43 VAL CB C 31.6314 0.0155 1 97 28 43 VAL N N 106.1978 0.0101 1 98 29 44 LEU H H 7.3119 0.0034 1 99 29 44 LEU N N 125.8057 0.0473 1 100 30 45 GLY H H 8.8880 0.0064 1 101 30 45 GLY CA C 45.4479 0.0321 1 102 30 45 GLY N N 112.4959 0.1295 1 103 31 46 ALA H H 8.0322 0.0034 1 104 31 46 ALA CA C 52.1983 0.1769 1 105 31 46 ALA CB C 19.8561 0.1528 1 106 31 46 ALA N N 124.3672 0.1737 1 107 32 47 GLU H H 9.1833 0.0024 1 108 32 47 GLU CA C 59.0951 0.0176 1 109 32 47 GLU CB C 30.0144 0.0032 1 110 32 47 GLU N N 124.9088 0.1554 1 111 33 48 ASP H H 8.1907 0.0039 1 112 33 48 ASP CA C 53.1355 0.0375 1 113 33 48 ASP CB C 41.3202 0.0149 1 114 33 48 ASP N N 115.7662 0.1411 1 115 34 49 GLY H H 7.6292 0.0023 1 116 34 49 GLY CA C 46.7418 0.0778 1 117 34 49 GLY N N 105.6286 0.0921 1 118 35 50 SER H H 7.5864 0.0016 1 119 35 50 SER CA C 57.2887 0.0000 1 120 35 50 SER CB C 66.0482 0.0000 1 121 35 50 SER N N 113.4454 0.1361 1 122 36 51 ILE H H 8.8168 0.0071 1 123 36 51 ILE CA C 62.5619 0.0000 1 124 36 51 ILE CB C 39.5932 0.0000 1 125 36 51 ILE N N 119.3698 0.0395 1 126 37 52 SER H H 9.4892 0.0075 1 127 37 52 SER CA C 57.0570 0.0943 1 128 37 52 SER CB C 67.1053 0.1184 1 129 37 52 SER N N 126.0765 0.1103 1 130 38 53 THR H H 8.8508 0.0035 1 131 38 53 THR N N 111.8128 0.0498 1 132 39 54 LYS CA C 59.8139 0.0000 1 133 39 54 LYS CB C 32.1811 0.0000 1 134 40 55 GLU H H 7.7272 0.0017 1 135 40 55 GLU CA C 60.9126 0.0034 1 136 40 55 GLU CB C 30.0234 0.0000 1 137 40 55 GLU N N 119.4851 0.1817 1 138 41 56 LEU H H 8.3616 0.0055 1 139 41 56 LEU CA C 57.9234 0.0000 1 140 41 56 LEU N N 119.1332 0.1998 1 141 42 57 GLY H H 8.5346 0.0013 1 142 42 57 GLY CA C 48.1542 0.0295 1 143 42 57 GLY N N 106.0890 0.1029 1 144 43 58 LYS H H 7.3513 0.0020 1 145 43 58 LYS CA C 59.6020 0.0000 1 146 43 58 LYS CB C 32.5122 0.0563 1 147 43 58 LYS N N 120.9549 0.1275 1 148 44 59 VAL H H 7.5892 0.0062 1 149 44 59 VAL CA C 66.2744 0.0411 1 150 44 59 VAL CB C 31.9757 0.0000 1 151 44 59 VAL N N 119.6654 0.1823 1 152 45 60 MET H H 8.4488 0.0049 1 153 45 60 MET CA C 58.1587 0.0000 1 154 45 60 MET CB C 31.3947 0.0000 1 155 45 60 MET N N 116.9493 0.1377 1 156 46 61 ARG H H 8.1632 0.0055 1 157 46 61 ARG CA C 59.2804 0.0624 1 158 46 61 ARG CB C 30.1204 0.1575 1 159 46 61 ARG N N 118.8515 0.1211 1 160 47 62 MET H H 7.9047 0.0020 1 161 47 62 MET CA C 59.0925 0.0598 1 162 47 62 MET CB C 32.4964 0.0426 1 163 47 62 MET N N 122.3956 0.0650 1 164 48 63 LEU H H 7.5316 0.0026 1 165 48 63 LEU CA C 54.6002 0.0000 1 166 48 63 LEU CB C 41.5952 0.0000 1 167 48 63 LEU N N 117.6375 0.1186 1 168 49 64 GLY H H 7.8909 0.0000 1 169 49 64 GLY CA C 45.8687 0.0117 1 170 49 64 GLY N N 107.5196 0.1744 1 171 50 65 GLN H H 8.0576 0.0056 1 172 50 65 GLN CA C 53.8909 0.0355 1 173 50 65 GLN CB C 30.9356 0.0997 1 174 50 65 GLN N N 118.2371 0.1157 1 175 51 66 ASN H H 8.7371 0.0049 1 176 51 66 ASN CA C 51.4262 0.0000 1 177 51 66 ASN CB C 39.3790 0.0000 1 178 51 66 ASN N N 116.7483 0.1605 1 179 52 67 PRO CA C 62.2493 0.0000 1 180 52 67 PRO CB C 32.1039 0.0000 1 181 53 68 THR H H 8.9660 0.0026 1 182 53 68 THR CA C 60.2889 0.0000 1 183 53 68 THR N N 114.0413 0.1022 1 184 54 69 PRO CA C 66.1321 0.0000 1 185 54 69 PRO CB C 31.8482 0.0000 1 186 55 70 GLU H H 8.8154 0.0024 1 187 55 70 GLU CA C 60.6398 0.0027 1 188 55 70 GLU CB C 28.7993 0.0803 1 189 55 70 GLU N N 117.4037 0.1139 1 190 56 71 GLU H H 7.8345 0.0031 1 191 56 71 GLU CA C 59.3321 0.0000 1 192 56 71 GLU CB C 30.0654 0.0000 1 193 56 71 GLU N N 121.6512 0.1531 1 194 58 73 GLN H H 8.0208 0.0024 1 195 58 73 GLN CA C 58.1101 0.0620 1 196 58 73 GLN CB C 28.5395 0.0000 1 197 58 73 GLN N N 118.1796 0.1024 1 198 59 74 GLU H H 7.9317 0.0023 1 199 59 74 GLU CA C 59.4227 0.1602 1 200 59 74 GLU CB C 29.6936 0.0502 1 201 59 74 GLU N N 119.1924 0.1794 1 202 60 75 MET H H 7.6521 0.0032 1 203 60 75 MET CA C 59.5053 0.0000 1 204 60 75 MET CB C 33.7987 0.0000 1 205 60 75 MET N N 117.5657 0.1480 1 206 61 76 ILE H H 7.4017 0.0105 1 207 61 76 ILE CA C 64.2849 0.1274 1 208 61 76 ILE CB C 37.2611 0.0000 1 209 61 76 ILE N N 118.0451 0.0537 1 210 62 77 ASP H H 8.7534 0.0022 1 211 62 77 ASP CA C 57.5316 0.0214 1 212 62 77 ASP CB C 40.3487 0.0294 1 213 62 77 ASP N N 119.4413 0.1500 1 214 63 78 GLU H H 7.5921 0.0012 1 215 63 78 GLU CA C 58.7969 0.0542 1 216 63 78 GLU CB C 30.6285 0.0000 1 217 63 78 GLU N N 116.0020 0.1066 1 218 64 79 VAL H H 7.2520 0.0051 1 219 64 79 VAL CA C 60.6661 0.0000 1 220 64 79 VAL N N 107.5687 0.0406 1 221 65 80 ASP H H 7.6099 0.0021 1 222 65 80 ASP CA C 53.6416 0.1091 1 223 65 80 ASP CB C 40.6387 0.0505 1 224 65 80 ASP N N 121.8807 0.1083 1 225 66 81 GLU H H 8.5370 0.0088 1 226 66 81 GLU CA C 58.5339 0.0086 1 227 66 81 GLU CB C 30.9052 0.0606 1 228 66 81 GLU N N 128.1732 0.1469 1 229 67 82 ASP H H 8.0320 0.0024 1 230 67 82 ASP CA C 52.4436 0.0403 1 231 67 82 ASP CB C 40.2727 0.0209 1 232 67 82 ASP N N 114.4106 0.1064 1 233 68 83 GLY H H 7.7498 0.0046 1 234 68 83 GLY CA C 47.1313 0.0219 1 235 68 83 GLY N N 108.9118 0.0877 1 236 69 84 SER H H 8.5068 0.0019 1 237 69 84 SER CA C 60.1613 0.0675 1 238 69 84 SER CB C 64.8552 0.0103 1 239 69 84 SER N N 116.7636 0.1411 1 240 70 85 GLY H H 10.8499 0.0047 1 241 70 85 GLY CA C 45.6480 0.0139 1 242 70 85 GLY N N 116.5198 0.1453 1 243 71 86 THR H H 7.6522 0.0028 1 244 71 86 THR CA C 58.2806 0.0045 1 245 71 86 THR CB C 73.8245 0.0289 1 246 71 86 THR N N 107.6207 0.1371 1 247 72 87 VAL H H 9.7659 0.0067 1 248 72 87 VAL CA C 58.3424 0.0000 1 249 72 87 VAL CB C 33.9239 0.0000 1 250 72 87 VAL N N 127.1430 0.1052 1 251 73 88 ASP H H 8.8944 0.0094 1 252 73 88 ASP CA C 52.5699 0.0600 1 253 73 88 ASP CB C 41.6202 0.0423 1 254 73 88 ASP N N 129.1914 0.1415 1 255 74 89 PHE H H 8.5770 0.0028 1 256 74 89 PHE N N 118.2494 0.1130 1 257 75 90 ASP H H 7.6459 0.0022 1 258 75 90 ASP CA C 58.2579 0.0000 1 259 75 90 ASP CB C 40.5167 0.0000 1 260 75 90 ASP N N 117.6769 0.0223 1 261 76 91 GLU CA C 58.2441 0.0000 1 262 76 91 GLU CB C 30.1292 0.0000 1 263 77 92 PHE H H 9.0274 0.0076 1 264 77 92 PHE N N 123.0357 0.0794 1 265 79 94 VAL H H 6.8864 0.0051 1 266 79 94 VAL CA C 66.4044 0.0000 1 267 79 94 VAL CB C 31.1606 0.0000 1 268 79 94 VAL N N 117.7634 0.1512 1 269 81 96 MET H H 8.1697 0.0000 1 270 81 96 MET CA C 56.6202 0.0000 1 271 81 96 MET CB C 32.0683 0.0000 1 272 81 96 MET N N 116.5053 0.0000 1 273 82 97 VAL H H 8.0740 0.0028 1 274 82 97 VAL CA C 66.0876 0.0000 1 275 82 97 VAL N N 117.5419 0.0784 1 276 83 98 ARG CA C 59.5797 0.0000 1 277 83 98 ARG CB C 29.9227 0.0000 1 278 84 99 CYS H H 7.7943 0.0063 1 279 84 99 CYS CA C 61.5848 0.0000 1 280 84 99 CYS CB C 27.4991 0.0000 1 281 84 99 CYS N N 115.8303 0.1155 1 282 88 103 ASP H H 8.2975 0.0000 1 283 88 103 ASP CA C 54.7604 0.0104 1 284 88 103 ASP CB C 41.3034 0.0763 1 285 88 103 ASP N N 121.5843 0.0000 1 286 89 104 SER H H 8.2944 0.0023 1 287 89 104 SER CA C 59.2016 0.0000 1 288 89 104 SER CB C 63.7832 0.0000 1 289 89 104 SER N N 115.7706 0.1346 1 290 90 105 GLU H H 8.3654 0.0051 1 291 90 105 GLU CA C 57.1097 0.0000 1 292 90 105 GLU CB C 30.2098 0.0000 1 293 90 105 GLU N N 120.9186 0.1323 1 294 146 114 VAL CA C 62.0541 0.0000 1 295 146 114 VAL CB C 32.7415 0.0000 1 296 147 115 ARG H H 8.3131 0.0051 1 297 147 115 ARG CA C 55.5917 0.0000 1 298 147 115 ARG CB C 31.7016 0.0000 1 299 147 115 ARG N N 125.1306 0.1204 1 300 148 116 ILE H H 8.2624 0.0000 1 301 148 116 ILE N N 123.2154 0.0000 1 302 149 117 SER CA C 56.9663 0.0000 1 303 149 117 SER CB C 64.4538 0.0000 1 304 150 118 ALA H H 8.7145 0.0106 1 305 150 118 ALA CA C 55.6242 0.1388 1 306 150 118 ALA CB C 18.7274 0.0000 1 307 150 118 ALA N N 128.2424 0.1476 1 308 151 119 ASP H H 8.5110 0.0022 1 309 151 119 ASP CA C 57.3178 0.0244 1 310 151 119 ASP CB C 40.8092 0.0250 1 311 151 119 ASP N N 116.2894 0.1582 1 312 152 120 ALA H H 7.8247 0.0041 1 313 152 120 ALA CA C 54.9976 0.0611 1 314 152 120 ALA CB C 18.5394 0.0362 1 315 152 120 ALA N N 122.4956 0.1141 1 316 153 121 MET H H 8.2072 0.0018 1 317 153 121 MET N N 118.5076 0.0506 1 318 154 122 MET H H 8.5026 0.0020 1 319 154 122 MET CA C 57.3367 0.0000 1 320 154 122 MET CB C 31.8646 0.0102 1 321 154 122 MET N N 117.4039 0.0959 1 322 155 123 GLN H H 8.2076 0.0025 1 323 155 123 GLN CA C 59.0759 0.0612 1 324 155 123 GLN CB C 28.5221 0.0925 1 325 155 123 GLN N N 118.2958 0.1791 1 326 156 124 ALA H H 7.8958 0.0034 1 327 156 124 ALA CA C 54.6933 0.0000 1 328 156 124 ALA CB C 18.4523 0.0424 1 329 156 124 ALA N N 121.5729 0.1120 1 330 157 125 LEU H H 8.0158 0.0053 1 331 157 125 LEU N N 116.2979 0.0000 1 332 158 126 LEU CA C 55.8060 0.0000 1 333 158 126 LEU CB C 40.2421 0.0000 1 334 159 127 GLY H H 7.9091 0.0052 1 335 159 127 GLY CA C 46.1438 0.0333 1 336 159 127 GLY N N 108.6369 0.1201 1 337 160 128 ALA H H 8.1779 0.0025 1 338 160 128 ALA CA C 53.5221 0.0796 1 339 160 128 ALA CB C 18.9942 0.1424 1 340 160 128 ALA N N 124.1880 0.1445 1 341 161 129 ARG H H 8.0371 0.0012 1 342 161 129 ARG CA C 56.4077 0.2636 1 343 161 129 ARG CB C 30.4573 0.1122 1 344 161 129 ARG N N 118.1584 0.1254 1 345 162 130 ALA H H 8.0201 0.0240 1 346 162 130 ALA CA C 52.9880 0.0668 1 347 162 130 ALA CB C 19.0582 0.1394 1 348 162 130 ALA N N 123.4139 0.1249 1 349 163 131 LYS H H 8.2808 0.0000 1 350 163 131 LYS CA C 57.3150 0.0000 1 351 163 131 LYS CB C 33.1611 0.0316 1 352 163 131 LYS N N 120.1735 0.1509 1 353 164 132 GLU H H 8.4906 0.0023 1 354 164 132 GLU CA C 57.2817 0.0771 1 355 164 132 GLU CB C 30.0403 0.0221 1 356 164 132 GLU N N 120.8810 0.1545 1 357 165 133 SER H H 8.2372 0.0126 1 358 165 133 SER CA C 58.8850 0.0311 1 359 165 133 SER CB C 63.7204 0.0999 1 360 165 133 SER N N 115.6964 0.1908 1 361 166 134 LEU H H 8.0893 0.0027 1 362 166 134 LEU CA C 55.9672 0.0000 1 363 166 134 LEU N N 123.6029 0.0897 1 364 167 135 ASP H H 8.2745 0.0060 1 365 167 135 ASP CA C 54.4642 0.0382 1 366 167 135 ASP CB C 41.0407 0.0536 1 367 167 135 ASP N N 120.7979 0.1437 1 368 168 136 LEU H H 8.1612 0.0032 1 369 168 136 LEU CA C 55.7257 0.0000 1 370 168 136 LEU CB C 41.1409 0.0000 1 371 168 136 LEU N N 122.9146 0.1333 1 372 169 137 ARG H H 8.1729 0.0026 1 373 169 137 ARG CA C 56.3339 0.2276 1 374 169 137 ARG CB C 30.3900 0.0828 1 375 169 137 ARG N N 119.5769 0.1226 1 376 170 138 ALA H H 7.9905 0.0040 1 377 170 138 ALA CA C 53.0831 0.0302 1 378 170 138 ALA CB C 19.1298 0.0335 1 379 170 138 ALA N N 123.1438 0.1366 1 380 171 139 HIS H H 8.2010 0.0030 1 381 171 139 HIS CA C 56.0306 0.0000 1 382 171 139 HIS N N 117.1148 0.0193 1 383 172 140 LEU H H 8.0742 0.0000 1 384 172 140 LEU CA C 55.3014 0.0661 1 385 172 140 LEU CB C 42.2641 0.0000 1 386 172 140 LEU N N 123.1835 0.0000 1 387 173 141 LYS H H 7.7816 0.0014 1 388 173 141 LYS CA C 57.7325 0.0000 1 389 173 141 LYS CB C 33.8701 0.0000 1 390 173 141 LYS N N 126.7323 0.1288 1 stop_ save_ save_heteronuclear_T1_cChim500 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $NMRView stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T1_coherence_type Sz _T1_value_units ms _Mol_system_component_name cChimeraX _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 9 GLY N 497.512 19.8015 2 10 LEU N 487.805 16.6568 3 13 ARG N 480.769 25.4253 4 14 GLY N 497.512 17.3263 5 15 SER N 495.05 9.80296 6 22 ALA N 500 7.5 7 23 ALA N 476.19 15.873 8 24 VAL N 512.821 15.7791 9 25 GLU N 520.833 10.8507 10 26 GLN N 515.464 15.9422 11 27 LEU N 581.395 2.70416 12 28 THR N 543.478 14.7684 13 29 GLU N 465.116 10.8167 14 30 GLU N 543.478 11.8147 15 31 GLN N 485.437 11.7824 16 32 LYS N 518.135 18.7925 17 33 ASN N 518.135 13.4232 18 34 GLU N 500 5 19 35 PHE N 549.451 15.0948 20 36 LYS N 476.19 45.3515 21 37 ALA N 526.316 8.31025 22 39 PHE N 442.478 5.8736 23 40 ASP N 526.316 16.6205 24 41 ILE N 529.101 11.1979 25 43 VAL N 436.681 19.069 26 44 LEU N 507.614 18.0371 27 45 GLY N 549.451 30.1896 28 46 ALA N 518.135 26.8464 29 47 GLU N 564.972 35.1112 30 48 ASP N 483.092 14.0027 31 49 GLY N 497.512 24.7519 32 50 SER N 520.833 16.276 33 51 ILE N 546.448 17.9163 34 52 SER N 495.05 19.6059 35 53 THR N 473.934 20.2152 36 55 GLU N 483.092 14.0027 37 56 LEU N 487.805 16.6568 38 57 GLY N 495.05 7.35222 39 58 LYS N 500 17.5 40 59 VAL N 512.821 15.7791 41 60 MET N 502.513 12.6259 42 61 ARG N 505.051 7.65228 43 62 MET N 552.486 24.4193 44 63 LEU N 564.972 6.38386 45 64 GLY N 531.915 16.976 46 65 GLN N 483.092 9.33511 47 66 ASN N 510.204 23.4277 48 68 THR N 546.448 14.9303 49 70 GLU N 552.486 18.3145 50 71 GLU N 526.316 8.31025 51 73 GLN N 485.437 9.42596 52 74 GLU N 531.915 11.3173 53 75 MET N 568.182 6.45661 54 76 ILE N 492.611 14.5599 55 77 ASP N 571.429 29.3878 56 78 GLU N 515.464 18.5992 57 79 VAL N 625 156.25 58 80 ASP N 452.489 18.4271 59 81 GLU N 724.638 26.255 60 82 ASP N 543.478 14.7684 61 83 GLY N 518.135 18.7925 62 84 SER N 505.051 10.203 63 85 GLY N 476.19 20.4082 64 86 THR N 476.19 15.873 65 87 VAL N 487.805 19.0363 66 88 ASP N 523.56 21.9292 67 89 PHE N 502.513 15.1511 68 92 PHE N 500 50 69 94 VAL N 564.972 25.5354 70 96 MET N 427.35 23.7417 71 97 VAL N 555.556 61.7284 72 99 CYS N 515.464 39.8555 73 103 ASP N 392.157 18.4544 74 104 SER N 454.545 12.3967 75 105 GLU N 403.226 21.1368 76 115 ARG N 490.196 16.8205 77 118 ALA N 434.783 37.8072 78 119 ASP N 523.56 24.6704 79 120 ALA N 537.634 14.4525 80 121 MET N 480.769 27.7367 81 122 MET N 520.833 24.4141 82 123 GLN N 473.934 11.2307 83 124 ALA N 512.821 7.88955 84 125 LEU N 595.238 49.6032 85 127 GLY N 507.614 25.7672 86 128 ALA N 427.35 12.784 87 129 ARG N 485.437 11.7824 88 130 ALA N 500 5 89 131 LYS N 434.783 37.8072 90 132 GLU N 416.667 13.8889 91 133 SER N 423.729 7.18184 92 134 LEU N 448.43 12.0654 93 135 ASP N 476.19 13.6054 94 136 LEU N 476.19 11.3379 95 137 ARG N 438.596 9.61834 96 138 ALA N 460.829 12.7418 97 141 LYS N 909.091 9.91736 stop_ save_ save_heteronuclear_T1_cChim600 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $NMRView stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Sz _T1_value_units ms _Mol_system_component_name cChimeraX _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 9 GLY N 523.56 27.4115 2 10 LEU N 534.759 17.1581 3 13 ARG N 529.101 11.1979 4 14 GLY N 531.915 19.8053 5 15 SER N 632.911 20.0288 6 22 ALA N 636.943 20.2848 7 23 ALA N 662.252 30.7004 8 24 VAL N 561.798 15.7808 9 25 GLU N 662.252 13.1573 10 26 GLN N 694.444 9.64506 11 27 LEU N 704.225 5.45527 12 28 THR N 684.932 14.0739 13 29 GLU N 591.716 10.5038 14 30 GLU N 628.931 11.8666 15 31 GLN N 621.118 11.5736 16 32 LYS N 657.895 25.9695 17 33 ASN N 675.676 9.13075 18 34 GLU N 588.235 10.3806 19 35 PHE N 641.026 12.3274 20 36 LYS N 714.286 15.3061 21 37 ALA N 649.351 12.6497 22 39 PHE N 591.716 7.00256 23 40 ASP N 645.161 20.8117 24 41 ILE N 666.667 13.3333 25 43 VAL N 729.927 47.9514 26 44 LEU N 649.351 21.0828 27 45 GLY N 699.301 63.5728 28 46 ALA N 606.061 7.34619 29 47 GLU N 662.252 17.5431 30 48 ASP N 606.061 11.0193 31 49 GLY N 621.118 5.01524 32 50 SER N 628.931 15.8222 33 51 ILE N 724.638 21.004 34 52 SER N 636.943 36.5126 35 53 THR N 621.118 15.4315 36 55 GLU N 581.395 23.6614 37 56 LEU N 529.101 13.9974 38 57 GLY N 628.931 11.8666 39 58 LYS N 598.802 25.0995 40 59 VAL N 694.444 28.9352 41 60 MET N 675.676 18.2615 42 61 ARG N 598.802 17.9282 43 62 MET N 595.238 10.6293 44 63 LEU N 735.294 16.2197 45 64 GLY N 684.932 14.0739 46 65 GLN N 584.795 10.2596 47 66 ASN N 588.235 27.6817 48 68 THR N 684.932 14.0739 49 70 GLU N 641.026 8.21828 50 71 GLU N 645.161 8.32466 51 73 GLN N 584.795 6.83971 52 74 GLU N 625 11.7188 53 75 MET N 680.272 13.8831 54 76 ILE N 714.286 56.1224 55 77 ASP N 671.141 31.5301 56 78 GLU N 645.161 8.32466 57 79 VAL N 500 100 58 80 ASP N 657.895 60.5956 59 81 GLU N 892.857 47.8316 60 82 ASP N 680.272 23.1385 61 83 GLY N 649.351 16.8663 62 84 SER N 609.756 11.1541 63 85 GLY N 609.756 14.8721 64 86 THR N 598.802 17.9282 65 87 VAL N 724.638 10.502 66 88 ASP N 724.638 10.502 67 89 PHE N 666.667 13.3333 68 92 PHE N 595.238 14.1723 69 94 VAL N 709.22 25.1496 70 96 MET N 598.802 21.5139 71 97 VAL N 537.634 23.1241 72 99 CYS N 568.182 22.5981 73 103 ASP N 540.541 26.2966 74 104 SER N 531.915 14.1467 75 105 GLU N 520.833 35.2648 76 115 ARG N 552.486 33.5765 77 118 ALA N 719.424 15.5271 78 119 ASP N 666.667 17.7778 79 120 ALA N 628.931 11.8666 80 121 MET N 564.972 19.1516 81 122 MET N 641.026 20.5457 82 123 GLN N 578.035 16.7062 83 124 ALA N 662.252 30.7004 84 125 LEU N 621.118 11.5736 85 127 GLY N 621.118 19.2894 86 128 ALA N 515.464 15.9422 87 129 ARG N 584.795 10.2596 88 130 ALA N 588.235 10.3806 89 131 LYS N 460.829 27.6073 90 132 GLU N 500 50 91 133 SER N 529.101 13.9974 92 134 LEU N 543.478 17.7221 93 135 ASP N 543.478 11.8147 94 136 LEU N 540.541 11.6874 95 137 ARG N 512.821 10.5194 96 138 ALA N 546.448 17.9163 97 141 LYS N 952.381 9.97732 stop_ save_ save_heteronuclear_T2_cChim500 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $NMRView stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T2_coherence_type S(+,-) _T2_value_units ms _Mol_system_component_name cChimeraX _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 9 GLY N 204.082 12.4948 . . 2 10 LEU N 185.185 6.85871 . . 3 12 PRO N 193.424 5.6119 . . 4 14 GLY N 158.73 5.03905 . . 5 15 SER N 81.9672 4.03117 . . 6 22 ALA N 79.3651 1.25976 . . 7 23 ALA N 74.0741 1.64609 . . 8 23 ALA N 76.9231 2.36686 . . 9 24 VAL N 65.3595 2.13593 . . 10 25 GLU N 77.9423 0.486 . . 11 26 GLN N 86.2069 2.22949 . . 12 26 GLN N 86.9565 2.26843 . . 13 27 LEU N 84.6024 0.286302 . . 14 28 THR N 90.0901 2.43487 . . 15 29 GLU N 85.4701 2.19154 . . 16 30 GLU N 81.6327 0.733028 . . 17 31 GLN N 75.7576 2.29568 . . 18 32 LYS N 84.0336 2.11849 . . 19 33 ASN N 75.7576 2.29568 . . 20 34 GLU N 111.359 1.48809 . . 21 35 PHE N 72.9927 1.59838 . . 22 36 LYS N 89.2857 4.78316 . . 23 37 ALA N 79.6178 0.88746 . . 24 39 PHE N 81.3008 1.32196 . . 25 40 ASP N 74.6269 3.3415 . . 26 41 ILE N 82.6446 2.04904 . . 27 43 VAL N 34.4828 3.56718 . . 28 44 LEU N 65.3595 1.70874 . . 29 45 GLY N 55.5556 6.17284 . . 30 46 ALA N 88.4956 3.13259 . . 31 47 GLU N 100 6 . . 32 48 ASP N 96.1538 2.77367 . . 33 49 GLY N 79.3651 2.51953 . . 34 50 SER N 91.7431 2.52504 . . 35 51 ILE N 79.3651 3.77929 . . 36 52 SER N 81.9672 6.71862 . . 37 53 THR N 56.4972 3.83032 . . 38 55 GLU N 68.0272 1.38831 . . 39 56 LEU N 66.6667 4 . . 40 57 GLY N 85.4701 3.65257 . . 41 58 LYS N 80.6452 3.25182 . . 42 59 VAL N 83.3333 2.77778 . . 43 60 MET N 76.3359 2.91358 . . 44 61 ARG N 73.5294 1.08131 . . 45 62 MET N 85.4701 2.19154 . . 46 63 LEU N 81.3008 1.98295 . . 47 64 GLY N 87.0322 0.833206 . . 48 65 GLN N 89.2857 0.876913 . . 49 66 ASN N 91.7431 9.25848 . . 50 68 THR N 90.0901 2.43487 . . 51 70 GLU N 91.4077 1.16975 . . 52 71 GLU N 79.6178 0.95085 . . 53 73 GLN N 89.2857 0.956633 . . 54 74 GLU N 79.3651 1.88964 . . 55 75 MET N 80.6452 1.30073 . . 56 76 ILE N 68.0272 5.09047 . . 57 77 ASP N 75.7576 1.72176 . . 58 78 GLU N 77.5194 1.80278 . . 59 79 VAL N 55.5556 12.3457 . . 60 80 ASP N 84.0336 5.64932 . . 61 81 GLU N 101.01 4.08122 . . 62 82 ASP N 78.125 2.44141 . . 63 83 GLY N 92.5926 1.71468 . . 64 84 SER N 77.5194 1.80278 . . 65 85 GLY N 79.3651 2.51953 . . 66 86 THR N 68.0272 1.38831 . . 67 87 VAL N 86.2069 5.9453 . . 68 88 ASP N 72.9927 2.13117 . . 69 89 PHE N 79.3651 1.88964 . . 70 92 PHE N 81.9672 3.35931 . . 71 94 VAL N 78.125 5.49316 . . 72 94 VAL N 81.3008 5.94884 . . 73 96 MET N 59.8802 4.30277 . . 74 97 VAL N 56.1798 4.73425 . . 75 99 CYS N 72.9927 2.13117 . . 76 103 ASP N 80.6452 5.20291 . . 77 104 SER N 105.82 1.67968 . . 78 105 GLU N 67.5676 1.82615 . . 79 105 GLU N 72.9927 3.19676 . . 80 115 ARG N 65.3595 1.70874 . . 81 118 ALA N 52.6316 5.54017 . . 82 119 ASP N 75.188 2.26129 . . 83 120 ALA N 70.922 1.00599 . . 84 121 MET N 75.7576 2.29568 . . 85 122 MET N 74.6269 3.3415 . . 86 123 GLN N 84.7458 1.43637 . . 87 124 ALA N 70.4225 1.98373 . . 88 125 LEU N 60.241 3.62897 . . 89 127 GLY N 89.2857 1.59439 . . 90 128 ALA N 94.3396 4.44998 . . 91 129 ARG N 89.2857 0.876913 . . 92 130 ALA N 111.359 1.6121 . . 93 131 LYS N 101.01 9.18274 . . 94 132 GLU N 138.889 7.71605 . . 95 133 SER N 131.579 5.19391 . . 96 134 LEU N 134.953 2.18547 . . 97 135 ASP N 147.275 3.25351 . . 98 136 LEU N 183.486 4.04006 . . 99 137 ARG N 135.501 2.57049 . . 100 138 ALA N 191.939 3.68404 . . 101 141 LYS N 423.729 10.7728 . . stop_ save_ save_heteronuclear_T2_cChim600 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $NMRView stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units ms _Mol_system_component_name cChimeraX _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 9 GLY N 189.753 3.24057 . . 2 10 LEU N 169.492 5.74548 . . 3 13 ARG N 160.256 3.33868 . . 4 14 GLY N 138.889 5.78704 . . 5 15 SER N 84.0336 4.94315 . . 6 22 ALA N 73.6377 0.650701 . . 7 23 ALA N 71.4286 2.04082 . . 8 24 VAL N 60.6061 1.83655 . . 9 25 GLU N 71.4286 2.04082 . . 10 26 GLN N 86.2069 2.22949 . . 11 26 GLN N 92.5926 1.71468 . . 12 27 LEU N 76.9231 1.18343 . . 13 28 THR N 88.4956 1.56629 . . 14 29 GLU N 74.6269 1.11383 . . 15 30 GLU N 76.3359 1.74815 . . 16 31 GLN N 72.9927 1.59838 . . 17 32 LYS N 72.9927 2.13117 . . 18 33 ASN N 72.0981 0.571794 . . 19 34 GLU N 97.0874 1.88519 . . 20 35 PHE N 63.6943 1.62278 . . 21 36 LYS N 65.3595 3.41749 . . 22 37 ALA N 71.3267 0.559624 . . 23 39 PHE N 74.6826 0.836624 . . 24 40 ASP N 75.7576 1.72176 . . 25 41 ILE N 68.9655 1.42687 . . 26 43 VAL N 33.3333 2.22222 . . 27 44 LEU N 60.9756 1.85901 . . 28 45 GLY N 38.4615 2.95858 . . 29 46 ALA N 84.7458 2.15455 . . 30 47 GLU N 96.1538 2.77367 . . 31 48 ASP N 96.1538 1.84911 . . 32 49 GLY N 78.125 1.83105 . . 33 50 SER N 84.7458 2.87274 . . 34 51 ILE N 70.922 1.50898 . . 35 52 SER N 62.8931 1.97777 . . 36 53 THR N 51.0204 3.38401 . . 37 55 GLU N 59.1716 1.40051 . . 38 56 LEU N 65.3595 2.13593 . . 39 57 GLY N 80.0641 0.641025 . . 40 58 LYS N 70.4225 2.47967 . . 41 59 VAL N 66.2252 2.19289 . . 42 60 MET N 72.9927 2.13117 . . 43 61 ARG N 69.9301 0.635728 . . 44 62 MET N 65.3595 1.28156 . . 45 63 LEU N 78.7402 1.24 . . 46 63 LEU N 78.7402 1.24 . . 47 64 GLY N 78.125 1.2207 . . 48 65 GLN N 83.1255 0.414591 . . 49 66 ASN N 90.9091 3.30579 . . 50 68 THR N 88.4956 1.56629 . . 51 70 GLU N 81.6993 0.867722 . . 52 71 GLU N 71.0732 0.454626 . . 53 73 GLN N 82.6446 1.36603 . . 54 74 GLU N 69.4444 0.964506 . . 55 75 MET N 76.3359 1.16543 . . 56 76 ILE N 68.4932 5.16044 . . 57 77 ASP N 68.0272 1.38831 . . 58 78 GLU N 76.3359 1.74815 . . 59 78 GLU N 80.6452 1.95109 . . 60 80 ASP N 58.1395 2.70416 . . 61 81 GLU N 90.9091 1.65289 . . 62 82 ASP N 75.188 2.82662 . . 63 83 GLY N 76.3359 1.16543 . . 64 84 SER N 72.9927 1.06559 . . 65 85 GLY N 78.125 1.2207 . . 66 86 THR N 60.6061 1.83655 . . 67 87 VAL N 74.0741 2.19479 . . 68 88 ASP N 70.922 2.01197 . . 69 89 PHE N 71.736 0.514606 . . 70 92 PHE N 69.9301 3.42315 . . 71 94 VAL N 82.6446 5.46411 . . 72 96 MET N 56.1798 1.8937 . . 73 97 VAL N 52.6316 2.21607 . . 74 99 CYS N 70.4225 4.95933 . . 75 103 ASP N 69.9301 2.44511 . . 76 104 SER N 112.36 2.52493 . . 77 105 GLU N 64.5161 3.7461 . . 78 115 ARG N 54.6448 2.09024 . . 79 116 ILE N 106.383 12.4491 . . 80 118 ALA N 43.4783 3.78072 . . 81 119 ASP N 76.3359 1.74815 . . 82 120 ALA N 63.2911 1.60231 . . 83 121 MET N 84.7458 1.43637 . . 84 122 MET N 68.4932 4.22218 . . 85 123 GLN N 81.3008 0.594884 . . 86 124 ALA N 59.5238 1.41723 . . 87 125 LEU N 55.5556 1.85185 . . 88 127 GLY N 70.922 2.01197 . . 89 128 ALA N 126.582 6.40923 . . 90 129 ARG N 83.1255 0.414591 . . 91 130 ALA N 97.0874 1.88519 . . 92 131 LYS N 123.457 6.09663 . . 93 132 GLU N 106.383 5.65867 . . 94 133 SER N 131.579 3.4626 . . 95 134 LEU N 121.951 2.97442 . . 96 135 ASP N 130.89 2.05586 . . 97 136 LEU N 149.925 2.92208 . . 98 137 ARG N 124.378 1.85639 . . 99 138 ALA N 171.233 3.22528 . . 100 141 LYS N 414.938 25.826 . . stop_ save_ save_heteronuclear_noe_cChim500 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _Mol_system_component_name cChimeraX _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 20000000 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 9 GLY -0.478875748919 -0.286 10 LEU -0.260492191686 -0.086 13 ARG 0.152740189194 0.09 14 GLY 0.262920733654 0.2 15 SER 0.602310210614 0.119 22 ALA 0.640468360961 0.068 23 ALA 0.753327523128 0.21 24 VAL 0.956712101123 0.11 25 GLU 0.821053778388 0.096 26 GLN 0.51781107461 0.075 27 LEU 0.638699860513 0.072 28 THR 0.834332776009 0.08 29 GLU 0.814786950846 0.091 30 GLU 0.828018423357 0.089 31 GLN 0.720506365468 0.095 32 LYS 0.69157911238 0.232 33 ASN 0.764158896515 0.088 34 GLU 0.605908156858 0.059 35 PHE 0.869629877304 0.153 36 LYS 0.639362849522 0.223 37 ALA 0.726352080679 0.058 39 PHE 0.814786950846 0.091 40 ASP 0.823914698648 0.123 41 ILE 0.925805471155 0.118 43 VAL 0.687534002185 0.188 44 LEU 0.856264506511 0.127 45 GLY 0.765636164385 0.258 46 ALA 0.901271840453 0.127 47 GLU 0.429572131341 0.154 48 ASP 0.552098468931 0.106 49 GLY 0.932761757708 0.155 50 SER 0.688062645468 0.084 51 ILE 0.66608187487 0.139 52 SER 0.816781240496 0.248 53 THR 0.635674493933 0.161 55 GLU 0.726575002015 0.13 56 LEU 0.822659029811 0.183 57 GLY 1.04649608252 0.163 58 LYS 1.02248054989 0.264 59 VAL 0.782739108715 0.129 60 MET 0.909463156956 0.191 61 ARG 0.774365397848 0.065 62 MET 0.689124229464 0.11 63 LEU 0.659781959824 0.099 64 GLY 0.676834253621 0.066 65 GLN 0.797064282695 0.066 66 ASN 0.731791886043 0.188 68 THR 0.834332776009 0.08 70 GLU 0.789109095196 0.092 71 GLU 0.711078864045 0.053 73 GLN 0.703039542669 0.061 74 GLU 0.761898176901 0.085 75 MET 0.786372960236 0.071 76 ILE 0.68007936317 0.219 77 ASP 1.08640781617 0.195 78 GLU 0.835648257747 0.104 79 VAL 0.854897951281 0.4 80 ASP 0.435316063633 0.15 81 GLU 0.855672887709 0.236 82 ASP 0.776274098742 0.126 83 GLY 0.745348514258 0.096 84 SER 0.803526673968 0.091 85 GLY 0.846801658653 0.151 86 THR 0.860546053622 0.146 87 VAL 0.754818684288 0.153 88 ASP 1.08890140398 0.276 89 PHE 0.723485077031 0.094 92 PHE 0.918898819849 0.196 94 VAL 0.463902736272 0.157 96 MET 1.11070692707 0.462 97 VAL 0.876086169275 0.28 99 CYS 1.35106956006 0.403 103 ASP 0.700161804908 0.198 104 SER 0.41285087805 0.095 105 GLU 0.461834565112 0.107 115 ARG 0.487537703662 0.159 118 ALA 1.0119079538 0.336 119 ASP 0.957228892351 0.136 120 ALA 0.841315474914 0.159 121 MET 0.764800415917 0.09 122 MET 0.816042428761 0.172 123 GLN 0.518821383598 0.05 124 ALA 0.797919935143 0.096 125 LEU 0.982275270261 0.266 127 GLY 0.764740919667 0.189 128 ALA 0.607310023044 0.232 129 ARG 0.730233975857 0.053 131 LYS 0.490802775849 0.181 132 GLU 0.265958012185 0.189 133 SER 0.373945228472 0.115 134 LEU 0.528674773651 0.096 135 ASP 0.404610948222 0.05 136 LEU -0.156145983389 -0.066 137 ARG 0.163110682411 0.053 138 ALA -0.742406805735 -0.112 130 ALA 0.605908156858 0.059 141 LYS -1.92813800905 -0.149 stop_ save_ save_heteronuclear_noe_cChim600 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name cChimeraX _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 20000000 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 9 GLY -0.361836905379 -0.211 10 LEU 0.0982250315373 0.063 13 ARG 0.373879453542 0.081 14 GLY 0.157923407957 0.18 15 SER 0.780129296384 0.157 22 ALA 0.859509579821 0.092 23 ALA 0.694881942121 0.159 24 VAL 1.11913778058 0.187 25 GLU 0.74763457162 0.086 26 GLN 0.686860461579 0.104 27 LEU 0.830616711415 0.084 28 THR 0.746556520676 0.074 29 GLU 0.901856239035 0.08 30 GLU 0.734663712855 0.076 31 GLN 0.913801867694 0.106 32 LYS 0.853637328546 0.25 33 ASN 0.812590693814 0.093 34 GLU 0.577741952126 0.057 35 PHE 0.857074058419 0.144 36 LYS 0.959534461174 0.36 37 ALA 0.904298583699 0.06 39 PHE 0.867006841438 0.084 40 ASP 0.968030413262 0.168 41 ILE 0.887018352937 0.118 43 VAL 1.32583312953 0.509 44 LEU 0.805052217266 0.12 45 GLY 0.803922927292 0.391 46 ALA 0.669763954656 0.104 47 GLU 0.478314888493 0.189 48 ASP 0.622757823098 0.095 49 GLY 0.975513301914 0.156 50 SER 0.821307802607 0.094 51 ILE 0.848782917142 0.182 52 SER 1.25104748955 0.427 53 THR 0.793494716468 0.211 55 GLU 0.840939973861 0.147 56 LEU 1.34333495212 0.499 57 GLY 1.05126044114 0.189 58 LYS 0.69077722556 0.188 59 VAL 0.889384108378 0.136 60 MET 0.877492009664 0.162 61 ARG 0.872140005225 0.071 62 MET 0.969088541733 0.148 63 LEU 0.739006782629 0.095 64 GLY 0.805141606586 0.078 65 GLN 0.782233506541 0.064 66 ASN 0.825876493394 0.191 68 THR 0.774175085597 0.075 70 GLU 0.911149187743 0.095 71 GLU 0.904298583699 0.06 73 GLN 0.67832763316 0.058 74 GLU 0.896609489395 0.092 75 MET 0.828175007829 0.081 76 ILE 0.686662326351 0.288 77 ASP 0.888368804703 0.156 78 GLU 0.818847951096 0.099 80 ASP 0.774271186549 0.258 81 GLU 0.699124880109 0.215 82 ASP 0.911548948265 0.134 83 GLY 0.718646195147 0.096 84 SER 0.877981698069 0.096 85 GLY 0.938415762156 0.155 86 THR 0.949329449924 0.162 87 VAL 0.782213197672 0.186 88 ASP 0.880121808807 0.195 89 PHE 0.846659280502 0.099 92 PHE 0.885175578315 0.215 94 VAL 0.865348092731 0.295 96 MET 1.08609662481 0.369 97 VAL 0.960716940664 0.326 99 CYS 0.910608400988 0.262 103 ASP 0.406556106699 0.128 104 SER 0.625888379068 0.095 105 GLU 0.70461950639 0.161 115 ARG 0.835228553796 0.212 116 ILE 0.215499946318 0.287 118 ALA 1.27673252373 0.697 119 ASP 0.789988310483 0.117 120 ALA 0.77273655653 0.127 121 MET 0.877825435456 0.102 122 MET 0.83136600442 0.162 123 GLN 0.670451906768 0.059 124 ALA 0.930251655167 0.124 125 LEU 0.942583198161 0.243 127 GLY 0.763070990912 0.208 128 ALA 0.709817796484 0.25 129 ARG 0.752350761415 0.057 130 ALA 0.577741952126 0.057 133 SER 0.556208159092 0.167 134 LEU 0.476139669646 0.107 135 ASP 0.492172558285 0.05 136 LEU 0.191933155476 0.063 137 ARG 0.40942730676 0.054 138 ALA -0.625025483439 -0.086 140 LEU 0.835172726546 0.216 141 LYS -1.43175472215 -0.115 stop_ save_