data_34496 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Ca2+-bound Calmodulin mutant N53I ; _BMRB_accession_number 34496 _BMRB_flat_file_name bmr34496.str _Entry_type original _Submission_date 2020-03-06 _Accession_date 2020-03-06 _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 Holt C. . . 2 Nielsen L. H. . 3 Lau K. . . 4 Brohus M. . . 5 Sorensen A. B. . 6 Larsen K. T. . 7 Sommer C. . . 8 Petegem F. V. . 9 Overgaard M. T. . 10 Wimmer R. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 828 "13C chemical shifts" 631 "15N chemical shifts" 157 "T1 relaxation values" 141 "T2 relaxation values" 143 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-04-27 original BMRB . stop_ _Original_release_date 2020-04-23 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The arrhythmogenic N53I variant subtly changes the structure and dynamics in the calmodulin N-domain, altering its interaction with the cardiac ryanodine receptor ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32317284 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Holt C. . . 2 Hamborg L. . . 3 Lau K. . . 4 Brohus M. . . 5 Sorensen A. B. . 6 Larsen K. T. . 7 Sommer C. . . 8 Petegem F. V. . 9 Overgaard M. T. . 10 Wimmer R. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_ASTM JBCHA3 _Journal_ISSN 1083-351X _Journal_CSD 0071 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Calmodulin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label unit_1 $entity_1 unit_2 $entity_CA unit_3 $entity_CA unit_4 $entity_CA unit_5 $entity_CA stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 16720.404 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMIIEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASP 3 GLN 4 LEU 5 THR 6 GLU 7 GLU 8 GLN 9 ILE 10 ALA 11 GLU 12 PHE 13 LYS 14 GLU 15 ALA 16 PHE 17 SER 18 LEU 19 PHE 20 ASP 21 LYS 22 ASP 23 GLY 24 ASP 25 GLY 26 THR 27 ILE 28 THR 29 THR 30 LYS 31 GLU 32 LEU 33 GLY 34 THR 35 VAL 36 MET 37 ARG 38 SER 39 LEU 40 GLY 41 GLN 42 ASN 43 PRO 44 THR 45 GLU 46 ALA 47 GLU 48 LEU 49 GLN 50 ASP 51 MET 52 ILE 53 ILE 54 GLU 55 VAL 56 ASP 57 ALA 58 ASP 59 GLY 60 ASN 61 GLY 62 THR 63 ILE 64 ASP 65 PHE 66 PRO 67 GLU 68 PHE 69 LEU 70 THR 71 MET 72 MET 73 ALA 74 ARG 75 LYS 76 MET 77 LYS 78 ASP 79 THR 80 ASP 81 SER 82 GLU 83 GLU 84 GLU 85 ILE 86 ARG 87 GLU 88 ALA 89 PHE 90 ARG 91 VAL 92 PHE 93 ASP 94 LYS 95 ASP 96 GLY 97 ASN 98 GLY 99 TYR 100 ILE 101 SER 102 ALA 103 ALA 104 GLU 105 LEU 106 ARG 107 HIS 108 VAL 109 MET 110 THR 111 ASN 112 LEU 113 GLY 114 GLU 115 LYS 116 LEU 117 THR 118 ASP 119 GLU 120 GLU 121 VAL 122 ASP 123 GLU 124 MET 125 ILE 126 ARG 127 GLU 128 ALA 129 ASP 130 ILE 131 ASP 132 GLY 133 ASP 134 GLY 135 GLN 136 VAL 137 ASN 138 TYR 139 GLU 140 GLU 141 PHE 142 VAL 143 GLN 144 MET 145 MET 146 THR 147 ALA 148 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'CALM1, CALM, CAM, CAM1' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $entity_1 'recombinant technology' . . . . 'Rosetta 2' . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.56 mM [U-99% 13C; U-99% 15N] Calmodulin N53I, 2 mM HEPES, 100 mM potassium chloride, 10 mM calcium chloride, 50 mM sodium acetate, 2 mM sodium azide, 0.05 mM TSP, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.56 mM '[U-99% 13C; U-99% 15N]' HEPES 2 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'calcium chloride' 10 mM 'natural abundance' 'sodium acetate' 50 mM 'natural abundance' 'sodium azide' 2 mM 'natural abundance' TSP 0.05 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 1.0 mM [U-99% 15N] Calmodulin N53I, 2 mM HEPES, 10 mM potassium chloride, 10 mM calcium chloride, 2 mM sodium azide, 0.05 mM TSP, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-99% 15N]' HEPES 2 mM 'natural abundance' 'potassium chloride' 10 mM 'natural abundance' 'calcium chloride' 10 mM 'natural abundance' 'sodium azide' 2 mM 'natural abundance' TSP 0.05 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 1.0 mM [U-99% 13C; U-99% 15N] Calmodulin, 2 mM HEPES, 10 mM potassium chloride, 10 mM calcium chloride, 2 mM sodium azide, 0.05 mM TSP, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-99% 13C; U-99% 15N]' HEPES 2 mM 'natural abundance' 'potassium chloride' 10 mM 'natural abundance' 'calcium chloride' 10 mM 'natural abundance' 'sodium azide' 2 mM 'natural abundance' TSP 0.05 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name YASARA _Version 14.12.2 loop_ _Vendor _Address _Electronic_address 'YASARA Biosciences GmbH' . . stop_ loop_ _Task refinement stop_ _Details ; YASARA Biosciences GmbH Dr. Elmar Krieger Wagramer Strasse 25/3/45 1220 Vienna Austria / Europe ; save_ save_software_2 _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name TALOS _Version TALOS+ loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name CARA _Version 1.8.4.2 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TopSpin _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III HD' _Field_strength 900 _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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCDCE)HE_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_{1H}-15N_NOE_17 _Saveframe_category NMR_applied_experiment _Experiment_name '{1H}-15N NOE' _Sample_label $sample_2 save_ save_15N-T2_18 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-T2 _Sample_label $sample_2 save_ save_15N-T1_19 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-T1 _Sample_label $sample_2 save_ save_T2_relaxation_dispersion_20 _Saveframe_category NMR_applied_experiment _Experiment_name 'T2 relaxation dispersion' _Sample_label $sample_2 save_ save_15N-T1_21 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-T1 _Sample_label $sample_3 save_ save_15N-T2_22 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-T2 _Sample_label $sample_3 save_ save_{1H}-15N_NOE_23 _Saveframe_category NMR_applied_experiment _Experiment_name '{1H}-15N NOE' _Sample_label $sample_3 save_ save_T2_relaxation_dispersion_24 _Saveframe_category NMR_applied_experiment _Experiment_name 'T2 relaxation dispersion' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_25 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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 'ionic strength' 182 . mM pH 6.57 0.05 pH pressure 1 . atm temperature 298.1 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 42 . mM pH 6.57 0.05 pH pressure 1 . atm temperature 298.1 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 42 . mM pH 6.57 0.05 pH pressure 1 . atm temperature 298.1 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TSP C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 TSP H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 TSP N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D 1H-15N TOCSY' '3D CBCA(CO)NH' '2D (HB)CB(CGCDCE)HE' '2D (HB)CB(CGCD)HD' '3D HN(CA)CO' '3D HNCO' '3D HNCA' '3D HCCH-TOCSY' '3D HBHA(CO)NH' '3D HNCACB' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '{1H}-15N NOE' 15N-T2 15N-T1 'T2 relaxation dispersion' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name unit_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ALA H H 8.491 0.020 1 2 1 1 ALA HA H 4.065 0.020 1 3 1 1 ALA HB H 1.522 0.020 1 4 1 1 ALA C C 174.832 0.3 1 5 1 1 ALA CA C 51.980 0.3 1 6 1 1 ALA CB C 19.609 0.3 1 7 1 1 ALA N N 124.544 0.3 1 8 2 2 ASP H H 8.322 0.020 1 9 2 2 ASP HA H 4.647 0.020 1 10 2 2 ASP HB2 H 2.715 0.020 2 11 2 2 ASP HB3 H 2.590 0.020 2 12 2 2 ASP C C 175.705 0.3 1 13 2 2 ASP CA C 54.686 0.3 1 14 2 2 ASP CB C 41.370 0.3 1 15 2 2 ASP N N 118.716 0.3 1 16 3 3 GLN H H 8.311 0.020 1 17 3 3 GLN HA H 4.406 0.020 1 18 3 3 GLN HB2 H 2.000 0.020 2 19 3 3 GLN HB3 H 2.126 0.020 2 20 3 3 GLN HG2 H 2.374 0.020 1 21 3 3 GLN HE21 H 7.418 0.020 1 22 3 3 GLN HE22 H 6.849 0.020 1 23 3 3 GLN C C 175.676 0.3 1 24 3 3 GLN CA C 55.448 0.3 1 25 3 3 GLN CB C 29.806 0.3 1 26 3 3 GLN CG C 33.709 0.3 1 27 3 3 GLN N N 120.824 0.3 1 28 3 3 GLN NE2 N 113.066 0.3 1 29 4 4 LEU H H 8.253 0.020 1 30 4 4 LEU HA H 4.701 0.020 1 31 4 4 LEU HB2 H 1.758 0.020 2 32 4 4 LEU HB3 H 1.540 0.020 2 33 4 4 LEU HG H 1.745 0.020 1 34 4 4 LEU HD1 H 0.966 0.020 1 35 4 4 LEU HD2 H 0.944 0.020 1 36 4 4 LEU C C 177.647 0.3 1 37 4 4 LEU CA C 54.391 0.3 1 38 4 4 LEU CB C 43.544 0.3 1 39 4 4 LEU CG C 26.784 0.3 1 40 4 4 LEU CD1 C 26.739 0.3 1 41 4 4 LEU CD2 C 23.733 0.3 1 42 4 4 LEU N N 124.164 0.3 1 43 5 5 THR H H 8.693 0.020 1 44 5 5 THR HA H 4.498 0.020 1 45 5 5 THR HB H 4.799 0.020 1 46 5 5 THR HG2 H 1.364 0.020 1 47 5 5 THR C C 175.555 0.3 1 48 5 5 THR CA C 60.344 0.3 1 49 5 5 THR CB C 71.178 0.3 1 50 5 5 THR CG2 C 21.522 0.3 1 51 5 5 THR N N 114.208 0.3 1 52 6 6 GLU H H 9.018 0.020 1 53 6 6 GLU HA H 4.004 0.020 1 54 6 6 GLU HB2 H 2.084 0.020 1 55 6 6 GLU HB3 H 2.084 0.020 1 56 6 6 GLU HG2 H 2.366 0.020 2 57 6 6 GLU HG3 H 2.426 0.020 2 58 6 6 GLU C C 179.478 0.3 1 59 6 6 GLU CA C 60.035 0.3 1 60 6 6 GLU CB C 29.080 0.3 1 61 6 6 GLU CG C 36.547 0.3 1 62 6 6 GLU N N 121.739 0.3 1 63 7 7 GLU H H 8.732 0.020 1 64 7 7 GLU HA H 4.092 0.020 1 65 7 7 GLU HB2 H 2.083 0.020 2 66 7 7 GLU HB3 H 1.975 0.020 2 67 7 7 GLU HG2 H 2.394 0.020 2 68 7 7 GLU HG3 H 2.310 0.020 2 69 7 7 GLU C C 179.166 0.3 1 70 7 7 GLU CA C 59.958 0.3 1 71 7 7 GLU CB C 29.100 0.3 1 72 7 7 GLU CG C 36.782 0.3 1 73 7 7 GLU N N 120.666 0.3 1 74 8 8 GLN H H 7.745 0.020 1 75 8 8 GLN HA H 3.906 0.020 1 76 8 8 GLN HB2 H 2.389 0.020 2 77 8 8 GLN HB3 H 1.725 0.020 2 78 8 8 GLN HG2 H 2.325 0.020 2 79 8 8 GLN HG3 H 2.371 0.020 2 80 8 8 GLN HE21 H 7.450 0.020 1 81 8 8 GLN HE22 H 6.765 0.020 1 82 8 8 GLN C C 178.309 0.3 1 83 8 8 GLN CA C 58.673 0.3 1 84 8 8 GLN CB C 29.277 0.3 1 85 8 8 GLN CG C 34.894 0.3 1 86 8 8 GLN N N 121.453 0.3 1 87 8 8 GLN NE2 N 112.937 0.3 1 88 9 9 ILE H H 8.387 0.020 1 89 9 9 ILE HA H 3.734 0.020 1 90 9 9 ILE HB H 1.983 0.020 1 91 9 9 ILE HG12 H 1.119 0.020 2 92 9 9 ILE HG13 H 1.846 0.020 2 93 9 9 ILE HG2 H 1.144 0.020 1 94 9 9 ILE HD1 H 0.889 0.020 1 95 9 9 ILE C C 177.785 0.3 1 96 9 9 ILE CA C 66.237 0.3 1 97 9 9 ILE CB C 37.856 0.3 1 98 9 9 ILE CG1 C 30.125 0.3 1 99 9 9 ILE CG2 C 17.354 0.3 1 100 9 9 ILE CD1 C 12.921 0.3 1 101 9 9 ILE N N 120.764 0.3 1 102 10 10 ALA H H 8.018 0.020 1 103 10 10 ALA HA H 4.152 0.020 1 104 10 10 ALA HB H 1.557 0.020 1 105 10 10 ALA C C 180.968 0.3 1 106 10 10 ALA CA C 55.458 0.3 1 107 10 10 ALA CB C 17.823 0.3 1 108 10 10 ALA N N 122.508 0.3 1 109 11 11 GLU H H 7.806 0.020 1 110 11 11 GLU HA H 4.175 0.020 1 111 11 11 GLU HB2 H 2.081 0.020 2 112 11 11 GLU HB3 H 1.951 0.020 2 113 11 11 GLU HG2 H 2.172 0.020 2 114 11 11 GLU HG3 H 2.406 0.020 2 115 11 11 GLU C C 180.490 0.3 1 116 11 11 GLU CA C 59.397 0.3 1 117 11 11 GLU CB C 29.164 0.3 1 118 11 11 GLU CG C 36.094 0.3 1 119 11 11 GLU N N 120.816 0.3 1 120 12 12 PHE H H 8.581 0.020 1 121 12 12 PHE HA H 5.046 0.020 1 122 12 12 PHE HB2 H 3.492 0.020 1 123 12 12 PHE HB3 H 3.492 0.020 1 124 12 12 PHE HD1 H 7.204 0.020 1 125 12 12 PHE HD2 H 7.204 0.020 1 126 12 12 PHE HE1 H 7.278 0.020 1 127 12 12 PHE HE2 H 7.278 0.020 1 128 12 12 PHE HZ H 7.263 0.020 1 129 12 12 PHE C C 178.666 0.3 1 130 12 12 PHE CA C 59.251 0.3 1 131 12 12 PHE CB C 37.897 0.3 1 132 12 12 PHE CD1 C 130.531 0.3 1 133 12 12 PHE CE1 C 131.508 0.3 1 134 12 12 PHE CZ C 130.044 0.3 1 135 12 12 PHE N N 121.235 0.3 1 136 13 13 LYS H H 9.198 0.020 1 137 13 13 LYS HA H 4.036 0.020 1 138 13 13 LYS HB2 H 1.950 0.020 1 139 13 13 LYS HB3 H 1.950 0.020 1 140 13 13 LYS HG2 H 1.087 0.020 2 141 13 13 LYS HG3 H 1.219 0.020 2 142 13 13 LYS HD2 H 1.401 0.020 2 143 13 13 LYS HD3 H 1.285 0.020 2 144 13 13 LYS HE2 H 2.620 0.020 2 145 13 13 LYS HE3 H 2.646 0.020 2 146 13 13 LYS C C 179.368 0.3 1 147 13 13 LYS CA C 60.117 0.3 1 148 13 13 LYS CB C 31.956 0.3 1 149 13 13 LYS CG C 25.413 0.3 1 150 13 13 LYS CD C 28.756 0.3 1 151 13 13 LYS CE C 41.835 0.3 1 152 13 13 LYS N N 124.619 0.3 1 153 14 14 GLU H H 7.850 0.020 1 154 14 14 GLU HA H 4.168 0.020 1 155 14 14 GLU HB2 H 2.219 0.020 1 156 14 14 GLU HG2 H 2.323 0.020 2 157 14 14 GLU HG3 H 2.434 0.020 2 158 14 14 GLU C C 179.384 0.3 1 159 14 14 GLU CA C 59.371 0.3 1 160 14 14 GLU CB C 29.012 0.3 1 161 14 14 GLU CG C 36.233 0.3 1 162 14 14 GLU N N 121.620 0.3 1 163 15 15 ALA H H 8.014 0.020 1 164 15 15 ALA HA H 4.292 0.020 1 165 15 15 ALA HB H 1.963 0.020 1 166 15 15 ALA C C 178.937 0.3 1 167 15 15 ALA CA C 55.252 0.3 1 168 15 15 ALA CB C 18.094 0.3 1 169 15 15 ALA N N 123.683 0.3 1 170 16 16 PHE H H 8.818 0.020 1 171 16 16 PHE HA H 3.314 0.020 1 172 16 16 PHE HB2 H 2.982 0.020 2 173 16 16 PHE HB3 H 3.217 0.020 2 174 16 16 PHE HD1 H 6.632 0.020 1 175 16 16 PHE HD2 H 6.632 0.020 1 176 16 16 PHE HE1 H 7.035 0.020 1 177 16 16 PHE HE2 H 7.035 0.020 1 178 16 16 PHE HZ H 7.248 0.020 1 179 16 16 PHE C C 177.118 0.3 1 180 16 16 PHE CA C 62.067 0.3 1 181 16 16 PHE CB C 39.663 0.3 1 182 16 16 PHE CD1 C 132.040 0.3 1 183 16 16 PHE CE1 C 131.139 0.3 1 184 16 16 PHE CZ C 129.730 0.3 1 185 16 16 PHE N N 120.314 0.3 1 186 17 17 SER H H 7.945 0.020 1 187 17 17 SER HA H 4.173 0.020 1 188 17 17 SER HB2 H 4.046 0.020 2 189 17 17 SER HB3 H 4.061 0.020 2 190 17 17 SER C C 175.283 0.3 1 191 17 17 SER CA C 61.504 0.3 1 192 17 17 SER CB C 63.283 0.3 1 193 17 17 SER N N 113.366 0.3 1 194 18 18 LEU H H 7.489 0.020 1 195 18 18 LEU HA H 4.018 0.020 1 196 18 18 LEU HB2 H 1.707 0.020 2 197 18 18 LEU HB3 H 1.573 0.020 2 198 18 18 LEU HG H 1.459 0.020 1 199 18 18 LEU HD1 H 0.846 0.020 1 200 18 18 LEU HD2 H 0.738 0.020 1 201 18 18 LEU C C 178.213 0.3 1 202 18 18 LEU CA C 57.107 0.3 1 203 18 18 LEU CB C 41.579 0.3 1 204 18 18 LEU CG C 26.603 0.3 1 205 18 18 LEU CD1 C 24.224 0.3 1 206 18 18 LEU CD2 C 23.955 0.3 1 207 18 18 LEU N N 122.302 0.3 1 208 19 19 PHE H H 7.408 0.020 1 209 19 19 PHE HA H 4.326 0.020 1 210 19 19 PHE HB2 H 2.772 0.020 2 211 19 19 PHE HB3 H 2.645 0.020 2 212 19 19 PHE HD1 H 7.338 0.020 1 213 19 19 PHE HD2 H 7.338 0.020 1 214 19 19 PHE HE1 H 7.408 0.020 1 215 19 19 PHE HE2 H 7.408 0.020 1 216 19 19 PHE HZ H 7.356 0.020 1 217 19 19 PHE C C 176.496 0.3 1 218 19 19 PHE CA C 59.310 0.3 1 219 19 19 PHE CB C 40.448 0.3 1 220 19 19 PHE CD1 C 132.051 0.3 1 221 19 19 PHE CE1 C 131.227 0.3 1 222 19 19 PHE CZ C 130.192 0.3 1 223 19 19 PHE N N 116.467 0.3 1 224 20 20 ASP H H 7.787 0.020 1 225 20 20 ASP HA H 4.602 0.020 1 226 20 20 ASP HB2 H 1.599 0.020 2 227 20 20 ASP HB3 H 2.471 0.020 2 228 20 20 ASP C C 177.236 0.3 1 229 20 20 ASP CA C 52.337 0.3 1 230 20 20 ASP CB C 38.752 0.3 1 231 20 20 ASP N N 119.466 0.3 1 232 21 21 LYS H H 7.719 0.020 1 233 21 21 LYS HA H 3.997 0.020 1 234 21 21 LYS HB2 H 1.901 0.020 2 235 21 21 LYS HB3 H 1.922 0.020 2 236 21 21 LYS HG2 H 1.529 0.020 2 237 21 21 LYS HG3 H 1.594 0.020 2 238 21 21 LYS HD3 H 1.743 0.020 1 239 21 21 LYS HE2 H 3.058 0.020 1 240 21 21 LYS C C 178.110 0.3 1 241 21 21 LYS CA C 58.550 0.3 1 242 21 21 LYS CB C 32.680 0.3 1 243 21 21 LYS CG C 24.528 0.3 1 244 21 21 LYS CD C 28.425 0.3 1 245 21 21 LYS CE C 42.073 0.3 1 246 21 21 LYS N N 125.644 0.3 1 247 22 22 ASP H H 8.142 0.020 1 248 22 22 ASP HA H 4.606 0.020 1 249 22 22 ASP HB2 H 3.064 0.020 2 250 22 22 ASP HB3 H 2.639 0.020 2 251 22 22 ASP C C 177.690 0.3 1 252 22 22 ASP CA C 52.744 0.3 1 253 22 22 ASP CB C 39.649 0.3 1 254 22 22 ASP N N 115.145 0.3 1 255 23 23 GLY H H 7.679 0.020 1 256 23 23 GLY HA2 H 3.873 0.020 1 257 23 23 GLY HA3 H 3.873 0.020 1 258 23 23 GLY C C 175.131 0.3 1 259 23 23 GLY CA C 47.213 0.3 1 260 23 23 GLY N N 110.387 0.3 1 261 24 24 ASP H H 8.378 0.020 1 262 24 24 ASP HA H 4.541 0.020 1 263 24 24 ASP HB2 H 3.070 0.020 2 264 24 24 ASP HB3 H 2.491 0.020 2 265 24 24 ASP C C 177.461 0.3 1 266 24 24 ASP CA C 53.780 0.3 1 267 24 24 ASP CB C 40.392 0.3 1 268 24 24 ASP N N 121.715 0.3 1 269 25 25 GLY H H 10.622 0.020 1 270 25 25 GLY HA2 H 3.716 0.020 2 271 25 25 GLY HA3 H 4.378 0.020 2 272 25 25 GLY C C 173.714 0.3 1 273 25 25 GLY CA C 45.510 0.3 1 274 25 25 GLY N N 114.478 0.3 1 275 26 26 THR H H 8.135 0.020 1 276 26 26 THR HA H 5.292 0.020 1 277 26 26 THR HB H 3.893 0.020 1 278 26 26 THR HG2 H 1.068 0.020 1 279 26 26 THR C C 172.906 0.3 1 280 26 26 THR CA C 59.951 0.3 1 281 26 26 THR CB C 72.592 0.3 1 282 26 26 THR CG2 C 21.453 0.3 1 283 26 26 THR N N 113.845 0.3 1 284 27 27 ILE H H 9.719 0.020 1 285 27 27 ILE HA H 5.035 0.020 1 286 27 27 ILE HB H 1.890 0.020 1 287 27 27 ILE HG12 H 0.476 0.020 2 288 27 27 ILE HG13 H 1.156 0.020 2 289 27 27 ILE HG2 H 0.839 0.020 1 290 27 27 ILE HD1 H 0.288 0.020 1 291 27 27 ILE C C 176.062 0.3 1 292 27 27 ILE CA C 60.183 0.3 1 293 27 27 ILE CB C 39.526 0.3 1 294 27 27 ILE CG1 C 26.850 0.3 1 295 27 27 ILE CG2 C 17.427 0.3 1 296 27 27 ILE CD1 C 14.735 0.3 1 297 27 27 ILE N N 127.738 0.3 1 298 28 28 THR H H 8.594 0.020 1 299 28 28 THR HA H 4.832 0.020 1 300 28 28 THR HB H 4.810 0.020 1 301 28 28 THR HG2 H 1.344 0.020 1 302 28 28 THR C C 176.541 0.3 1 303 28 28 THR CA C 59.846 0.3 1 304 28 28 THR CB C 72.142 0.3 1 305 28 28 THR CG2 C 21.933 0.3 1 306 28 28 THR N N 117.654 0.3 1 307 29 29 THR H H 8.952 0.020 1 308 29 29 THR HA H 3.821 0.020 1 309 29 29 THR HB H 4.239 0.020 1 310 29 29 THR HG2 H 1.300 0.020 1 311 29 29 THR C C 176.981 0.3 1 312 29 29 THR CA C 66.611 0.3 1 313 29 29 THR CB C 68.019 0.3 1 314 29 29 THR CG2 C 23.157 0.3 1 315 29 29 THR N N 114.260 0.3 1 316 30 30 LYS H H 7.764 0.020 1 317 30 30 LYS HA H 4.166 0.020 1 318 30 30 LYS HB2 H 1.904 0.020 2 319 30 30 LYS HB3 H 1.848 0.020 2 320 30 30 LYS HG2 H 1.451 0.020 2 321 30 30 LYS HG3 H 1.532 0.020 2 322 30 30 LYS HD3 H 1.718 0.020 1 323 30 30 LYS HE2 H 3.025 0.020 1 324 30 30 LYS C C 179.787 0.3 1 325 30 30 LYS CA C 59.196 0.3 1 326 30 30 LYS CB C 32.321 0.3 1 327 30 30 LYS CG C 24.934 0.3 1 328 30 30 LYS CD C 29.030 0.3 1 329 30 30 LYS CE C 42.047 0.3 1 330 30 30 LYS N N 121.487 0.3 1 331 31 31 GLU H H 7.631 0.020 1 332 31 31 GLU HA H 4.138 0.020 1 333 31 31 GLU HB2 H 2.426 0.020 2 334 31 31 GLU HB3 H 2.514 0.020 2 335 31 31 GLU HG2 H 2.378 0.020 2 336 31 31 GLU HG3 H 2.488 0.020 2 337 31 31 GLU C C 178.850 0.3 1 338 31 31 GLU CA C 58.888 0.3 1 339 31 31 GLU CB C 29.974 0.3 1 340 31 31 GLU CG C 37.954 0.3 1 341 31 31 GLU N N 122.241 0.3 1 342 32 32 LEU H H 8.642 0.020 1 343 32 32 LEU HA H 4.059 0.020 1 344 32 32 LEU HB2 H 1.561 0.020 2 345 32 32 LEU HB3 H 1.907 0.020 2 346 32 32 LEU HG H 1.636 0.020 1 347 32 32 LEU HD1 H 0.899 0.020 1 348 32 32 LEU HD2 H 0.848 0.020 1 349 32 32 LEU C C 178.879 0.3 1 350 32 32 LEU CA C 57.959 0.3 1 351 32 32 LEU CB C 42.461 0.3 1 352 32 32 LEU CG C 26.514 0.3 1 353 32 32 LEU CD1 C 23.578 0.3 1 354 32 32 LEU CD2 C 25.782 0.3 1 355 32 32 LEU N N 121.866 0.3 1 356 33 33 GLY H H 8.528 0.020 1 357 33 33 GLY HA2 H 3.605 0.020 2 358 33 33 GLY HA3 H 4.014 0.020 2 359 33 33 GLY C C 175.312 0.3 1 360 33 33 GLY CA C 48.298 0.3 1 361 33 33 GLY N N 106.736 0.3 1 362 34 34 THR H H 7.822 0.020 1 363 34 34 THR HA H 3.950 0.020 1 364 34 34 THR HB H 4.325 0.020 1 365 34 34 THR HG2 H 1.316 0.020 1 366 34 34 THR C C 177.108 0.3 1 367 34 34 THR CA C 66.699 0.3 1 368 34 34 THR CB C 68.611 0.3 1 369 34 34 THR CG2 C 21.919 0.3 1 370 34 34 THR N N 119.011 0.3 1 371 35 35 VAL H H 7.701 0.020 1 372 35 35 VAL HA H 3.370 0.020 1 373 35 35 VAL HB H 2.012 0.020 1 374 35 35 VAL HG1 H 0.460 0.020 1 375 35 35 VAL HG2 H 0.675 0.020 1 376 35 35 VAL C C 179.132 0.3 1 377 35 35 VAL CA C 66.169 0.3 1 378 35 35 VAL CB C 31.265 0.3 1 379 35 35 VAL CG1 C 20.663 0.3 1 380 35 35 VAL CG2 C 22.612 0.3 1 381 35 35 VAL N N 123.556 0.3 1 382 36 36 MET H H 8.421 0.020 1 383 36 36 MET HA H 4.144 0.020 1 384 36 36 MET HB2 H 2.067 0.020 2 385 36 36 MET HB3 H 1.880 0.020 2 386 36 36 MET HG2 H 2.624 0.020 2 387 36 36 MET HG3 H 2.720 0.020 2 388 36 36 MET HE H 1.994 0.020 1 389 36 36 MET C C 179.136 0.3 1 390 36 36 MET CA C 59.036 0.3 1 391 36 36 MET CB C 31.316 0.3 1 392 36 36 MET CG C 32.880 0.3 1 393 36 36 MET CE C 17.407 0.3 1 394 36 36 MET N N 119.404 0.3 1 395 37 37 ARG H H 8.398 0.020 1 396 37 37 ARG HA H 4.804 0.020 1 397 37 37 ARG HB3 H 1.945 0.020 1 398 37 37 ARG HG3 H 1.936 0.020 1 399 37 37 ARG HD2 H 3.180 0.020 2 400 37 37 ARG HD3 H 3.329 0.020 2 401 37 37 ARG C C 181.159 0.3 1 402 37 37 ARG CA C 59.123 0.3 1 403 37 37 ARG CB C 30.408 0.3 1 404 37 37 ARG CG C 29.105 0.3 1 405 37 37 ARG CD C 43.452 0.3 1 406 37 37 ARG N N 120.378 0.3 1 407 38 38 SER H H 7.975 0.020 1 408 38 38 SER HA H 4.440 0.020 1 409 38 38 SER HB2 H 4.182 0.020 2 410 38 38 SER HB3 H 4.131 0.020 2 411 38 38 SER C C 174.950 0.3 1 412 38 38 SER CA C 61.563 0.3 1 413 38 38 SER CB C 62.877 0.3 1 414 38 38 SER N N 120.016 0.3 1 415 39 39 LEU H H 7.430 0.020 1 416 39 39 LEU HA H 4.538 0.020 1 417 39 39 LEU HB2 H 1.919 0.020 2 418 39 39 LEU HB3 H 1.841 0.020 2 419 39 39 LEU HG H 1.848 0.020 1 420 39 39 LEU HD1 H 0.873 0.020 1 421 39 39 LEU HD2 H 0.898 0.020 1 422 39 39 LEU C C 177.526 0.3 1 423 39 39 LEU CA C 54.567 0.3 1 424 39 39 LEU CB C 42.025 0.3 1 425 39 39 LEU CG C 26.168 0.3 1 426 39 39 LEU CD1 C 25.670 0.3 1 427 39 39 LEU CD2 C 22.413 0.3 1 428 39 39 LEU N N 121.890 0.3 1 429 40 40 GLY H H 7.897 0.020 1 430 40 40 GLY HA2 H 3.820 0.020 2 431 40 40 GLY HA3 H 4.298 0.020 2 432 40 40 GLY C C 174.404 0.3 1 433 40 40 GLY CA C 45.577 0.3 1 434 40 40 GLY N N 108.111 0.3 1 435 41 41 GLN H H 7.843 0.020 1 436 41 41 GLN HA H 4.514 0.020 1 437 41 41 GLN HB2 H 1.679 0.020 2 438 41 41 GLN HB3 H 2.148 0.020 2 439 41 41 GLN HG2 H 2.272 0.020 2 440 41 41 GLN HG3 H 2.241 0.020 2 441 41 41 GLN HE21 H 7.340 0.020 1 442 41 41 GLN HE22 H 6.702 0.020 1 443 41 41 GLN C C 174.145 0.3 1 444 41 41 GLN CA C 54.508 0.3 1 445 41 41 GLN CB C 30.577 0.3 1 446 41 41 GLN CG C 33.822 0.3 1 447 41 41 GLN N N 119.736 0.3 1 448 41 41 GLN NE2 N 112.685 0.3 1 449 42 42 ASN H H 8.679 0.020 1 450 42 42 ASN HA H 5.189 0.020 1 451 42 42 ASN HB2 H 2.551 0.020 2 452 42 42 ASN HB3 H 2.823 0.020 2 453 42 42 ASN HD21 H 7.515 0.020 1 454 42 42 ASN HD22 H 6.723 0.020 1 455 42 42 ASN C C 171.981 0.3 1 456 42 42 ASN CA C 51.184 0.3 1 457 42 42 ASN CB C 39.212 0.3 1 458 42 42 ASN N N 117.750 0.3 1 459 42 42 ASN ND2 N 113.692 0.3 1 460 43 43 PRO HA H 4.780 0.020 1 461 43 43 PRO HB2 H 1.977 0.020 2 462 43 43 PRO HB3 H 2.244 0.020 2 463 43 43 PRO HG2 H 1.972 0.020 2 464 43 43 PRO HG3 H 1.944 0.020 2 465 43 43 PRO HD2 H 3.636 0.020 2 466 43 43 PRO HD3 H 3.341 0.020 2 467 43 43 PRO C C 177.829 0.3 1 468 43 43 PRO CA C 62.425 0.3 1 469 43 43 PRO CB C 31.953 0.3 1 470 43 43 PRO CG C 27.423 0.3 1 471 43 43 PRO CD C 49.890 0.3 1 472 44 44 THR H H 8.718 0.020 1 473 44 44 THR HA H 4.473 0.020 1 474 44 44 THR HB H 4.743 0.020 1 475 44 44 THR HG2 H 1.390 0.020 1 476 44 44 THR C C 175.237 0.3 1 477 44 44 THR CA C 60.556 0.3 1 478 44 44 THR CB C 71.138 0.3 1 479 44 44 THR CG2 C 21.917 0.3 1 480 44 44 THR N N 114.188 0.3 1 481 45 45 GLU H H 8.814 0.020 1 482 45 45 GLU HA H 4.003 0.020 1 483 45 45 GLU HB2 H 2.075 0.020 1 484 45 45 GLU HB3 H 2.075 0.020 1 485 45 45 GLU HG2 H 2.371 0.020 1 486 45 45 GLU C C 179.019 0.3 1 487 45 45 GLU CA C 60.174 0.3 1 488 45 45 GLU CB C 29.113 0.3 1 489 45 45 GLU CG C 36.542 0.3 1 490 45 45 GLU N N 121.864 0.3 1 491 46 46 ALA H H 8.243 0.020 1 492 46 46 ALA HA H 4.126 0.020 1 493 46 46 ALA HB H 1.432 0.020 1 494 46 46 ALA C C 180.163 0.3 1 495 46 46 ALA CA C 54.983 0.3 1 496 46 46 ALA CB C 18.318 0.3 1 497 46 46 ALA N N 121.947 0.3 1 498 47 47 GLU H H 7.680 0.020 1 499 47 47 GLU HA H 4.062 0.020 1 500 47 47 GLU HB2 H 2.329 0.020 2 501 47 47 GLU HB3 H 1.935 0.020 2 502 47 47 GLU HG2 H 2.330 0.020 1 503 47 47 GLU C C 180.162 0.3 1 504 47 47 GLU CA C 58.932 0.3 1 505 47 47 GLU CB C 29.859 0.3 1 506 47 47 GLU CG C 37.357 0.3 1 507 47 47 GLU N N 119.765 0.3 1 508 48 48 LEU H H 8.187 0.020 1 509 48 48 LEU HA H 4.096 0.020 1 510 48 48 LEU HB2 H 2.026 0.020 2 511 48 48 LEU HB3 H 1.390 0.020 2 512 48 48 LEU HG H 1.772 0.020 1 513 48 48 LEU HD1 H 0.889 0.020 1 514 48 48 LEU HD2 H 0.847 0.020 1 515 48 48 LEU C C 178.455 0.3 1 516 48 48 LEU CA C 57.922 0.3 1 517 48 48 LEU CB C 42.235 0.3 1 518 48 48 LEU CG C 26.927 0.3 1 519 48 48 LEU CD1 C 25.532 0.3 1 520 48 48 LEU CD2 C 23.703 0.3 1 521 48 48 LEU N N 121.649 0.3 1 522 49 49 GLN H H 8.076 0.020 1 523 49 49 GLN HA H 3.965 0.020 1 524 49 49 GLN HB2 H 2.239 0.020 2 525 49 49 GLN HB3 H 2.185 0.020 2 526 49 49 GLN HG2 H 2.481 0.020 2 527 49 49 GLN HG3 H 2.524 0.020 2 528 49 49 GLN HE21 H 7.529 0.020 1 529 49 49 GLN HE22 H 6.829 0.020 1 530 49 49 GLN C C 178.635 0.3 1 531 49 49 GLN CA C 58.768 0.3 1 532 49 49 GLN CB C 27.991 0.3 1 533 49 49 GLN CG C 33.978 0.3 1 534 49 49 GLN N N 118.893 0.3 1 535 49 49 GLN NE2 N 113.984 0.3 1 536 50 50 ASP H H 7.928 0.020 1 537 50 50 ASP HA H 4.485 0.020 1 538 50 50 ASP HB2 H 2.778 0.020 2 539 50 50 ASP HB3 H 2.648 0.020 2 540 50 50 ASP C C 178.742 0.3 1 541 50 50 ASP CA C 57.310 0.3 1 542 50 50 ASP CB C 40.396 0.3 1 543 50 50 ASP N N 120.377 0.3 1 544 51 51 MET H H 7.882 0.020 1 545 51 51 MET HA H 4.103 0.020 1 546 51 51 MET HB2 H 2.324 0.020 2 547 51 51 MET HB3 H 2.034 0.020 2 548 51 51 MET HG2 H 2.577 0.020 2 549 51 51 MET HG3 H 2.790 0.020 2 550 51 51 MET HE H 2.090 0.020 1 551 51 51 MET C C 178.315 0.3 1 552 51 51 MET CA C 59.128 0.3 1 553 51 51 MET CB C 33.108 0.3 1 554 51 51 MET CG C 32.585 0.3 1 555 51 51 MET CE C 17.009 0.3 1 556 51 51 MET N N 120.565 0.3 1 557 52 52 ILE H H 7.690 0.020 1 558 52 52 ILE HA H 3.593 0.020 1 559 52 52 ILE HB H 2.012 0.020 1 560 52 52 ILE HG12 H 1.084 0.020 2 561 52 52 ILE HG13 H 1.691 0.020 2 562 52 52 ILE HG2 H 0.785 0.020 1 563 52 52 ILE HD1 H 0.776 0.020 1 564 52 52 ILE C C 177.526 0.3 1 565 52 52 ILE CA C 64.886 0.3 1 566 52 52 ILE CB C 37.436 0.3 1 567 52 52 ILE CG1 C 29.046 0.3 1 568 52 52 ILE CG2 C 16.592 0.3 1 569 52 52 ILE CD1 C 12.986 0.3 1 570 52 52 ILE N N 118.866 0.3 1 571 53 53 ILE H H 7.991 0.020 1 572 53 53 ILE HA H 3.791 0.020 1 573 53 53 ILE HB H 1.968 0.020 1 574 53 53 ILE HG12 H 1.759 0.020 2 575 53 53 ILE HG13 H 1.313 0.020 2 576 53 53 ILE HG2 H 0.970 0.020 1 577 53 53 ILE HD1 H 0.941 0.020 1 578 53 53 ILE C C 178.254 0.3 1 579 53 53 ILE CA C 64.603 0.3 1 580 53 53 ILE CB C 37.899 0.3 1 581 53 53 ILE CG1 C 29.360 0.3 1 582 53 53 ILE CG2 C 17.275 0.3 1 583 53 53 ILE CD1 C 13.191 0.3 1 584 53 53 ILE N N 120.121 0.3 1 585 54 54 GLU H H 7.454 0.020 1 586 54 54 GLU HA H 4.033 0.020 1 587 54 54 GLU HB2 H 2.132 0.020 2 588 54 54 GLU HB3 H 2.047 0.020 2 589 54 54 GLU HG2 H 2.399 0.020 2 590 54 54 GLU HG3 H 2.224 0.020 2 591 54 54 GLU C C 177.816 0.3 1 592 54 54 GLU CA C 58.887 0.3 1 593 54 54 GLU CB C 30.276 0.3 1 594 54 54 GLU CG C 36.301 0.3 1 595 54 54 GLU N N 117.774 0.3 1 596 55 55 VAL H H 7.382 0.020 1 597 55 55 VAL HA H 4.417 0.020 1 598 55 55 VAL HB H 2.341 0.020 1 599 55 55 VAL HG1 H 0.876 0.020 1 600 55 55 VAL HG2 H 0.953 0.020 1 601 55 55 VAL C C 176.103 0.3 1 602 55 55 VAL CA C 61.338 0.3 1 603 55 55 VAL CB C 32.756 0.3 1 604 55 55 VAL CG1 C 21.751 0.3 1 605 55 55 VAL CG2 C 19.886 0.3 1 606 55 55 VAL N N 110.702 0.3 1 607 56 56 ASP H H 7.910 0.020 1 608 56 56 ASP HA H 4.695 0.020 1 609 56 56 ASP HB2 H 2.493 0.020 2 610 56 56 ASP HB3 H 2.811 0.020 2 611 56 56 ASP C C 176.538 0.3 1 612 56 56 ASP CA C 53.657 0.3 1 613 56 56 ASP CB C 39.837 0.3 1 614 56 56 ASP N N 122.823 0.3 1 615 57 57 ALA H H 8.402 0.020 1 616 57 57 ALA HA H 4.216 0.020 1 617 57 57 ALA HB H 1.562 0.020 1 618 57 57 ALA C C 178.755 0.3 1 619 57 57 ALA CA C 54.386 0.3 1 620 57 57 ALA CB C 19.408 0.3 1 621 57 57 ALA N N 132.959 0.3 1 622 58 58 ASP H H 8.192 0.020 1 623 58 58 ASP HA H 4.657 0.020 1 624 58 58 ASP HB2 H 3.072 0.020 2 625 58 58 ASP HB3 H 2.692 0.020 2 626 58 58 ASP C C 177.896 0.3 1 627 58 58 ASP CA C 52.683 0.3 1 628 58 58 ASP CB C 39.560 0.3 1 629 58 58 ASP N N 114.936 0.3 1 630 59 59 GLY H H 7.606 0.020 1 631 59 59 GLY HA2 H 3.822 0.020 2 632 59 59 GLY HA3 H 3.926 0.020 2 633 59 59 GLY C C 175.035 0.3 1 634 59 59 GLY CA C 47.208 0.3 1 635 59 59 GLY N N 109.619 0.3 1 636 60 60 ASN H H 8.114 0.020 1 637 60 60 ASN HA H 4.657 0.020 1 638 60 60 ASN HB2 H 3.326 0.020 2 639 60 60 ASN HB3 H 2.684 0.020 2 640 60 60 ASN HD21 H 7.730 0.020 1 641 60 60 ASN HD22 H 7.028 0.020 1 642 60 60 ASN C C 176.850 0.3 1 643 60 60 ASN CA C 52.590 0.3 1 644 60 60 ASN CB C 37.692 0.3 1 645 60 60 ASN N N 119.731 0.3 1 646 60 60 ASN ND2 N 116.915 0.3 1 647 61 61 GLY H H 10.658 0.020 1 648 61 61 GLY HA2 H 3.483 0.020 2 649 61 61 GLY HA3 H 4.216 0.020 2 650 61 61 GLY C C 173.300 0.3 1 651 61 61 GLY CA C 45.650 0.3 1 652 61 61 GLY N N 114.904 0.3 1 653 62 62 THR H H 7.703 0.020 1 654 62 62 THR HA H 4.752 0.020 1 655 62 62 THR HB H 4.035 0.020 1 656 62 62 THR HG2 H 1.118 0.020 1 657 62 62 THR C C 173.050 0.3 1 658 62 62 THR CA C 59.547 0.3 1 659 62 62 THR CB C 71.767 0.3 1 660 62 62 THR CG2 C 22.241 0.3 1 661 62 62 THR N N 110.430 0.3 1 662 63 63 ILE H H 9.027 0.020 1 663 63 63 ILE HA H 5.171 0.020 1 664 63 63 ILE HB H 2.114 0.020 1 665 63 63 ILE HG12 H 1.037 0.020 2 666 63 63 ILE HG13 H 1.527 0.020 2 667 63 63 ILE HG2 H 1.219 0.020 1 668 63 63 ILE HD1 H 0.815 0.020 1 669 63 63 ILE C C 175.440 0.3 1 670 63 63 ILE CA C 59.941 0.3 1 671 63 63 ILE CB C 39.350 0.3 1 672 63 63 ILE CG1 C 27.299 0.3 1 673 63 63 ILE CG2 C 18.084 0.3 1 674 63 63 ILE CD1 C 13.582 0.3 1 675 63 63 ILE N N 125.890 0.3 1 676 64 64 ASP H H 8.851 0.020 1 677 64 64 ASP HA H 5.361 0.020 1 678 64 64 ASP HB2 H 3.112 0.020 2 679 64 64 ASP HB3 H 2.846 0.020 2 680 64 64 ASP C C 176.328 0.3 1 681 64 64 ASP CA C 52.157 0.3 1 682 64 64 ASP CB C 42.247 0.3 1 683 64 64 ASP CG C 178.787 0.3 1 684 64 64 ASP N N 129.499 0.3 1 685 65 65 PHE H H 8.925 0.020 1 686 65 65 PHE HA H 4.015 0.020 1 687 65 65 PHE HB2 H 2.190 0.020 2 688 65 65 PHE HB3 H 2.861 0.020 2 689 65 65 PHE HD1 H 6.765 0.020 1 690 65 65 PHE HD2 H 6.765 0.020 1 691 65 65 PHE HE1 H 7.226 0.020 1 692 65 65 PHE HE2 H 7.226 0.020 1 693 65 65 PHE HZ H 7.361 0.020 1 694 65 65 PHE C C 173.488 0.3 1 695 65 65 PHE CA C 63.614 0.3 1 696 65 65 PHE CB C 35.960 0.3 1 697 65 65 PHE CD1 C 132.000 0.3 1 698 65 65 PHE CE1 C 130.794 0.3 1 699 65 65 PHE CZ C 129.746 0.3 1 700 65 65 PHE N N 119.964 0.3 1 701 66 66 PRO HA H 3.911 0.020 1 702 66 66 PRO HB2 H 1.943 0.020 2 703 66 66 PRO HB3 H 2.274 0.020 2 704 66 66 PRO HG2 H 2.224 0.020 2 705 66 66 PRO HG3 H 1.941 0.020 2 706 66 66 PRO HD2 H 3.817 0.020 2 707 66 66 PRO HD3 H 3.797 0.020 2 708 66 66 PRO C C 180.067 0.3 1 709 66 66 PRO CA C 66.602 0.3 1 710 66 66 PRO CB C 30.602 0.3 1 711 66 66 PRO CG C 28.417 0.3 1 712 66 66 PRO CD C 49.084 0.3 1 713 67 67 GLU H H 7.942 0.020 1 714 67 67 GLU HA H 4.126 0.020 1 715 67 67 GLU HB2 H 2.615 0.020 2 716 67 67 GLU HB3 H 2.108 0.020 2 717 67 67 GLU HG2 H 2.517 0.020 2 718 67 67 GLU HG3 H 2.943 0.020 2 719 67 67 GLU C C 178.856 0.3 1 720 67 67 GLU CA C 58.455 0.3 1 721 67 67 GLU CB C 29.635 0.3 1 722 67 67 GLU CG C 36.925 0.3 1 723 67 67 GLU N N 118.876 0.3 1 724 68 68 PHE H H 8.839 0.020 1 725 68 68 PHE HA H 3.984 0.020 1 726 68 68 PHE HB2 H 3.186 0.020 2 727 68 68 PHE HB3 H 3.501 0.020 2 728 68 68 PHE HD1 H 6.968 0.020 1 729 68 68 PHE HD2 H 6.968 0.020 1 730 68 68 PHE HE1 H 7.205 0.020 1 731 68 68 PHE HE2 H 7.205 0.020 1 732 68 68 PHE HZ H 7.197 0.020 1 733 68 68 PHE C C 176.971 0.3 1 734 68 68 PHE CA C 61.256 0.3 1 735 68 68 PHE CB C 39.929 0.3 1 736 68 68 PHE CD1 C 131.867 0.3 1 737 68 68 PHE CE1 C 131.508 0.3 1 738 68 68 PHE CZ C 129.835 0.3 1 739 68 68 PHE N N 124.694 0.3 1 740 69 69 LEU H H 8.410 0.020 1 741 69 69 LEU HA H 3.369 0.020 1 742 69 69 LEU HB2 H 1.535 0.020 2 743 69 69 LEU HB3 H 1.211 0.020 2 744 69 69 LEU HG H 1.069 0.020 1 745 69 69 LEU HD1 H 0.659 0.020 1 746 69 69 LEU HD2 H 0.673 0.020 1 747 69 69 LEU C C 179.132 0.3 1 748 69 69 LEU CA C 57.959 0.3 1 749 69 69 LEU CB C 40.937 0.3 1 750 69 69 LEU CG C 25.601 0.3 1 751 69 69 LEU CD1 C 25.425 0.3 1 752 69 69 LEU CD2 C 24.129 0.3 1 753 69 69 LEU N N 120.263 0.3 1 754 70 70 THR H H 7.539 0.020 1 755 70 70 THR HA H 3.813 0.020 1 756 70 70 THR HB H 4.330 0.020 1 757 70 70 THR HG2 H 1.234 0.020 1 758 70 70 THR C C 176.136 0.3 1 759 70 70 THR CA C 66.413 0.3 1 760 70 70 THR CB C 68.264 0.3 1 761 70 70 THR CG2 C 21.990 0.3 1 762 70 70 THR N N 116.480 0.3 1 763 71 71 MET H H 7.773 0.020 1 764 71 71 MET HA H 3.813 0.020 1 765 71 71 MET HB2 H 1.992 0.020 2 766 71 71 MET HB3 H 2.144 0.020 2 767 71 71 MET HG2 H 2.140 0.020 2 768 71 71 MET HG3 H 2.452 0.020 2 769 71 71 MET HE H 1.813 0.020 1 770 71 71 MET C C 178.154 0.3 1 771 71 71 MET CA C 58.995 0.3 1 772 71 71 MET CB C 33.344 0.3 1 773 71 71 MET CG C 31.467 0.3 1 774 71 71 MET CE C 17.400 0.3 1 775 71 71 MET N N 122.785 0.3 1 776 72 72 MET H H 8.074 0.020 1 777 72 72 MET HA H 4.029 0.020 1 778 72 72 MET HB2 H 1.159 0.020 2 779 72 72 MET HB3 H 1.108 0.020 2 780 72 72 MET HG2 H 1.351 0.020 2 781 72 72 MET HG3 H 1.306 0.020 2 782 72 72 MET HE H 1.716 0.020 1 783 72 72 MET C C 178.544 0.3 1 784 72 72 MET CA C 55.764 0.3 1 785 72 72 MET CB C 30.956 0.3 1 786 72 72 MET CG C 32.044 0.3 1 787 72 72 MET CE C 17.417 0.3 1 788 72 72 MET N N 117.933 0.3 1 789 73 73 ALA H H 8.190 0.020 1 790 73 73 ALA HA H 4.108 0.020 1 791 73 73 ALA HB H 1.440 0.020 1 792 73 73 ALA C C 179.732 0.3 1 793 73 73 ALA CA C 54.580 0.3 1 794 73 73 ALA CB C 18.227 0.3 1 795 73 73 ALA N N 123.261 0.3 1 796 74 74 ARG H H 7.563 0.020 1 797 74 74 ARG HA H 4.132 0.020 1 798 74 74 ARG HB2 H 1.861 0.020 2 799 74 74 ARG HB3 H 1.918 0.020 2 800 74 74 ARG HG2 H 1.669 0.020 2 801 74 74 ARG HG3 H 1.791 0.020 2 802 74 74 ARG HD2 H 3.131 0.020 1 803 74 74 ARG C C 177.807 0.3 1 804 74 74 ARG CA C 58.128 0.3 1 805 74 74 ARG CB C 30.153 0.3 1 806 74 74 ARG CG C 27.404 0.3 1 807 74 74 ARG CD C 43.592 0.3 1 808 74 74 ARG N N 117.753 0.3 1 809 75 75 LYS H H 7.705 0.020 1 810 75 75 LYS HA H 4.258 0.020 1 811 75 75 LYS HB2 H 1.840 0.020 2 812 75 75 LYS HB3 H 1.928 0.020 2 813 75 75 LYS HG3 H 1.489 0.020 1 814 75 75 LYS HD3 H 1.668 0.020 1 815 75 75 LYS HE2 H 2.986 0.020 2 816 75 75 LYS HE3 H 2.933 0.020 2 817 75 75 LYS C C 177.617 0.3 1 818 75 75 LYS CA C 57.042 0.3 1 819 75 75 LYS CB C 32.440 0.3 1 820 75 75 LYS CG C 24.568 0.3 1 821 75 75 LYS CD C 28.694 0.3 1 822 75 75 LYS CE C 42.029 0.3 1 823 75 75 LYS N N 119.769 0.3 1 824 76 76 MET H H 7.871 0.020 1 825 76 76 MET HA H 4.405 0.020 1 826 76 76 MET HB2 H 2.135 0.020 2 827 76 76 MET HB3 H 2.220 0.020 2 828 76 76 MET HG2 H 2.660 0.020 2 829 76 76 MET HG3 H 2.743 0.020 2 830 76 76 MET HE H 2.145 0.020 1 831 76 76 MET C C 176.449 0.3 1 832 76 76 MET CA C 56.326 0.3 1 833 76 76 MET CB C 32.854 0.3 1 834 76 76 MET CG C 32.165 0.3 1 835 76 76 MET CE C 17.038 0.3 1 836 76 76 MET N N 119.748 0.3 1 837 77 77 LYS H H 7.846 0.020 1 838 77 77 LYS HA H 4.354 0.020 1 839 77 77 LYS HB2 H 1.850 0.020 2 840 77 77 LYS HB3 H 1.910 0.020 2 841 77 77 LYS HG2 H 1.482 0.020 2 842 77 77 LYS HG3 H 1.514 0.020 2 843 77 77 LYS HD3 H 1.722 0.020 1 844 77 77 LYS HE2 H 3.023 0.020 1 845 77 77 LYS C C 176.436 0.3 1 846 77 77 LYS CA C 56.598 0.3 1 847 77 77 LYS CB C 33.086 0.3 1 848 77 77 LYS CG C 24.531 0.3 1 849 77 77 LYS CD C 29.129 0.3 1 850 77 77 LYS CE C 42.163 0.3 1 851 77 77 LYS N N 121.867 0.3 1 852 78 78 ASP H H 8.283 0.020 1 853 78 78 ASP HA H 4.722 0.020 1 854 78 78 ASP HB2 H 2.700 0.020 2 855 78 78 ASP HB3 H 2.800 0.020 2 856 78 78 ASP C C 176.641 0.3 1 857 78 78 ASP CA C 54.581 0.3 1 858 78 78 ASP CB C 41.189 0.3 1 859 78 78 ASP N N 122.964 0.3 1 860 79 79 THR H H 8.092 0.020 1 861 79 79 THR HA H 4.354 0.020 1 862 79 79 THR HB H 4.292 0.020 1 863 79 79 THR HG2 H 1.243 0.020 1 864 79 79 THR C C 174.559 0.3 1 865 79 79 THR CA C 62.212 0.3 1 866 79 79 THR CB C 69.789 0.3 1 867 79 79 THR CG2 C 21.574 0.3 1 868 79 79 THR N N 115.660 0.3 1 869 80 80 ASP H H 8.435 0.020 1 870 80 80 ASP HA H 4.737 0.020 1 871 80 80 ASP HB2 H 2.737 0.020 2 872 80 80 ASP HB3 H 2.796 0.020 2 873 80 80 ASP C C 176.825 0.3 1 874 80 80 ASP CA C 54.601 0.3 1 875 80 80 ASP CB C 41.348 0.3 1 876 80 80 ASP N N 124.439 0.3 1 877 81 81 SER H H 8.413 0.020 1 878 81 81 SER HA H 4.487 0.020 1 879 81 81 SER HB2 H 4.072 0.020 2 880 81 81 SER HB3 H 3.991 0.020 2 881 81 81 SER C C 175.490 0.3 1 882 81 81 SER CA C 59.370 0.3 1 883 81 81 SER CB C 63.761 0.3 1 884 81 81 SER N N 118.350 0.3 1 885 82 82 GLU H H 8.501 0.020 1 886 82 82 GLU HA H 4.222 0.020 1 887 82 82 GLU HB2 H 2.128 0.020 1 888 82 82 GLU HG2 H 2.351 0.020 1 889 82 82 GLU C C 177.844 0.3 1 890 82 82 GLU CA C 58.526 0.3 1 891 82 82 GLU CB C 29.592 0.3 1 892 82 82 GLU CG C 36.524 0.3 1 893 82 82 GLU N N 123.750 0.3 1 894 83 83 GLU H H 8.307 0.020 1 895 83 83 GLU HA H 4.085 0.020 1 896 83 83 GLU HB2 H 2.119 0.020 1 897 83 83 GLU HG2 H 2.379 0.020 1 898 83 83 GLU C C 178.608 0.3 1 899 83 83 GLU CA C 59.495 0.3 1 900 83 83 GLU CB C 29.410 0.3 1 901 83 83 GLU CG C 36.225 0.3 1 902 83 83 GLU N N 121.030 0.3 1 903 84 84 GLU H H 8.203 0.020 1 904 84 84 GLU HA H 4.183 0.020 1 905 84 84 GLU HB2 H 2.240 0.020 1 906 84 84 GLU HG2 H 2.387 0.020 1 907 84 84 GLU C C 179.606 0.3 1 908 84 84 GLU CA C 59.441 0.3 1 909 84 84 GLU CB C 29.152 0.3 1 910 84 84 GLU CG C 36.422 0.3 1 911 84 84 GLU N N 120.025 0.3 1 912 85 85 ILE H H 8.005 0.020 1 913 85 85 ILE HA H 4.079 0.020 1 914 85 85 ILE HB H 2.193 0.020 1 915 85 85 ILE HG12 H 1.171 0.020 2 916 85 85 ILE HG13 H 1.799 0.020 2 917 85 85 ILE HG2 H 1.148 0.020 1 918 85 85 ILE HD1 H 0.829 0.020 1 919 85 85 ILE C C 177.890 0.3 1 920 85 85 ILE CA C 64.471 0.3 1 921 85 85 ILE CB C 37.394 0.3 1 922 85 85 ILE CG1 C 29.026 0.3 1 923 85 85 ILE CG2 C 18.953 0.3 1 924 85 85 ILE CD1 C 13.036 0.3 1 925 85 85 ILE N N 123.110 0.3 1 926 86 86 ARG H H 8.396 0.020 1 927 86 86 ARG HA H 4.198 0.020 1 928 86 86 ARG HB2 H 2.077 0.020 2 929 86 86 ARG HB3 H 1.895 0.020 2 930 86 86 ARG HG2 H 1.597 0.020 2 931 86 86 ARG HG3 H 1.757 0.020 2 932 86 86 ARG HD2 H 3.026 0.020 1 933 86 86 ARG C C 179.367 0.3 1 934 86 86 ARG CA C 60.056 0.3 1 935 86 86 ARG CB C 29.771 0.3 1 936 86 86 ARG CG C 27.519 0.3 1 937 86 86 ARG CD C 43.187 0.3 1 938 86 86 ARG N N 123.023 0.3 1 939 87 87 GLU H H 8.128 0.020 1 940 87 87 GLU HA H 4.177 0.020 1 941 87 87 GLU HB2 H 2.187 0.020 2 942 87 87 GLU HB3 H 2.118 0.020 2 943 87 87 GLU HG2 H 2.392 0.020 1 944 87 87 GLU C C 178.575 0.3 1 945 87 87 GLU CA C 58.925 0.3 1 946 87 87 GLU CB C 29.022 0.3 1 947 87 87 GLU CG C 35.738 0.3 1 948 87 87 GLU N N 119.887 0.3 1 949 88 88 ALA H H 7.959 0.020 1 950 88 88 ALA HA H 4.250 0.020 1 951 88 88 ALA HB H 1.819 0.020 1 952 88 88 ALA C C 179.288 0.3 1 953 88 88 ALA CA C 55.073 0.3 1 954 88 88 ALA CB C 17.602 0.3 1 955 88 88 ALA N N 123.258 0.3 1 956 89 89 PHE H H 8.561 0.020 1 957 89 89 PHE HA H 3.165 0.020 1 958 89 89 PHE HB2 H 3.030 0.020 2 959 89 89 PHE HB3 H 3.250 0.020 2 960 89 89 PHE HD1 H 6.632 0.020 1 961 89 89 PHE HD2 H 6.632 0.020 1 962 89 89 PHE HE1 H 7.008 0.020 1 963 89 89 PHE HE2 H 7.008 0.020 1 964 89 89 PHE HZ H 7.057 0.020 1 965 89 89 PHE C C 176.459 0.3 1 966 89 89 PHE CA C 62.133 0.3 1 967 89 89 PHE CB C 39.063 0.3 1 968 89 89 PHE CD1 C 131.896 0.3 1 969 89 89 PHE CE1 C 131.201 0.3 1 970 89 89 PHE CZ C 129.373 0.3 1 971 89 89 PHE N N 120.048 0.3 1 972 90 90 ARG H H 7.691 0.020 1 973 90 90 ARG HA H 3.918 0.020 1 974 90 90 ARG HB3 H 2.003 0.020 1 975 90 90 ARG HG2 H 1.725 0.020 2 976 90 90 ARG HG3 H 1.940 0.020 2 977 90 90 ARG HD2 H 3.267 0.020 2 978 90 90 ARG HD3 H 3.254 0.020 2 979 90 90 ARG C C 178.242 0.3 1 980 90 90 ARG CA C 58.778 0.3 1 981 90 90 ARG CB C 30.189 0.3 1 982 90 90 ARG CG C 27.775 0.3 1 983 90 90 ARG CD C 43.602 0.3 1 984 90 90 ARG N N 116.790 0.3 1 985 91 91 VAL H H 7.577 0.020 1 986 91 91 VAL HA H 3.541 0.020 1 987 91 91 VAL HB H 2.187 0.020 1 988 91 91 VAL HG1 H 0.708 0.020 1 989 91 91 VAL HG2 H 1.043 0.020 1 990 91 91 VAL C C 177.438 0.3 1 991 91 91 VAL CA C 65.661 0.3 1 992 91 91 VAL CB C 31.430 0.3 1 993 91 91 VAL CG1 C 20.905 0.3 1 994 91 91 VAL CG2 C 22.684 0.3 1 995 91 91 VAL N N 119.577 0.3 1 996 92 92 PHE H H 7.584 0.020 1 997 92 92 PHE HA H 4.271 0.020 1 998 92 92 PHE HB3 H 2.700 0.020 1 999 92 92 PHE HD1 H 7.335 0.020 1 1000 92 92 PHE HD2 H 7.335 0.020 1 1001 92 92 PHE HE1 H 7.405 0.020 1 1002 92 92 PHE HE2 H 7.405 0.020 1 1003 92 92 PHE C C 176.996 0.3 1 1004 92 92 PHE CA C 59.964 0.3 1 1005 92 92 PHE CB C 40.406 0.3 1 1006 92 92 PHE CD1 C 131.727 0.3 1 1007 92 92 PHE CE1 C 131.162 0.3 1 1008 92 92 PHE N N 117.915 0.3 1 1009 93 93 ASP H H 7.835 0.020 1 1010 93 93 ASP HA H 4.565 0.020 1 1011 93 93 ASP HB2 H 1.415 0.020 2 1012 93 93 ASP HB3 H 2.351 0.020 2 1013 93 93 ASP C C 177.516 0.3 1 1014 93 93 ASP CA C 52.243 0.3 1 1015 93 93 ASP CB C 38.203 0.3 1 1016 93 93 ASP N N 118.134 0.3 1 1017 94 94 LYS H H 7.738 0.020 1 1018 94 94 LYS HA H 3.941 0.020 1 1019 94 94 LYS HB2 H 1.866 0.020 1 1020 94 94 LYS HB3 H 1.866 0.020 1 1021 94 94 LYS HG2 H 1.494 0.020 2 1022 94 94 LYS HG3 H 1.565 0.020 2 1023 94 94 LYS HD3 H 1.670 0.020 1 1024 94 94 LYS HE2 H 2.907 0.020 2 1025 94 94 LYS HE3 H 2.863 0.020 2 1026 94 94 LYS C C 178.312 0.3 1 1027 94 94 LYS CA C 59.077 0.3 1 1028 94 94 LYS CB C 32.774 0.3 1 1029 94 94 LYS CG C 24.269 0.3 1 1030 94 94 LYS CD C 28.113 0.3 1 1031 94 94 LYS CE C 41.720 0.3 1 1032 94 94 LYS N N 127.132 0.3 1 1033 95 95 ASP H H 8.240 0.020 1 1034 95 95 ASP HA H 4.591 0.020 1 1035 95 95 ASP HB2 H 3.108 0.020 2 1036 95 95 ASP HB3 H 2.671 0.020 2 1037 95 95 ASP C C 177.745 0.3 1 1038 95 95 ASP CA C 52.937 0.3 1 1039 95 95 ASP CB C 39.595 0.3 1 1040 95 95 ASP N N 115.345 0.3 1 1041 96 96 GLY H H 7.795 0.020 1 1042 96 96 GLY HA2 H 3.827 0.020 1 1043 96 96 GLY HA3 H 3.827 0.020 1 1044 96 96 GLY C C 175.131 0.3 1 1045 96 96 GLY CA C 47.122 0.3 1 1046 96 96 GLY N N 110.493 0.3 1 1047 97 97 ASN H H 8.344 0.020 1 1048 97 97 ASN HA H 4.685 0.020 1 1049 97 97 ASN HB2 H 3.439 0.020 2 1050 97 97 ASN HB3 H 2.697 0.020 2 1051 97 97 ASN HD21 H 8.031 0.020 1 1052 97 97 ASN HD22 H 7.312 0.020 1 1053 97 97 ASN C C 176.107 0.3 1 1054 97 97 ASN CA C 52.642 0.3 1 1055 97 97 ASN CB C 38.153 0.3 1 1056 97 97 ASN CG C 179.681 0.3 1 1057 97 97 ASN N N 120.705 0.3 1 1058 97 97 ASN ND2 N 117.798 0.3 1 1059 98 98 GLY H H 10.660 0.020 1 1060 98 98 GLY HA2 H 3.455 0.020 2 1061 98 98 GLY HA3 H 4.076 0.020 2 1062 98 98 GLY C C 172.426 0.3 1 1063 98 98 GLY CA C 45.157 0.3 1 1064 98 98 GLY N N 114.234 0.3 1 1065 99 99 TYR H H 7.633 0.020 1 1066 99 99 TYR HA H 5.081 0.020 1 1067 99 99 TYR HB2 H 2.509 0.020 2 1068 99 99 TYR HB3 H 2.562 0.020 2 1069 99 99 TYR HD1 H 6.782 0.020 1 1070 99 99 TYR HD2 H 6.782 0.020 1 1071 99 99 TYR HE1 H 6.941 0.020 1 1072 99 99 TYR HE2 H 6.941 0.020 1 1073 99 99 TYR C C 174.571 0.3 1 1074 99 99 TYR CA C 56.056 0.3 1 1075 99 99 TYR CB C 43.177 0.3 1 1076 99 99 TYR CD1 C 133.549 0.3 1 1077 99 99 TYR CE1 C 118.372 0.3 1 1078 99 99 TYR N N 116.962 0.3 1 1079 100 100 ILE H H 10.152 0.020 1 1080 100 100 ILE HA H 4.871 0.020 1 1081 100 100 ILE HB H 1.914 0.020 1 1082 100 100 ILE HG12 H 0.422 0.020 2 1083 100 100 ILE HG13 H 1.196 0.020 2 1084 100 100 ILE HG2 H 0.988 0.020 1 1085 100 100 ILE HD1 H 0.299 0.020 1 1086 100 100 ILE C C 175.587 0.3 1 1087 100 100 ILE CA C 60.238 0.3 1 1088 100 100 ILE CB C 38.579 0.3 1 1089 100 100 ILE CG1 C 27.053 0.3 1 1090 100 100 ILE CG2 C 17.884 0.3 1 1091 100 100 ILE CD1 C 15.038 0.3 1 1092 100 100 ILE N N 128.543 0.3 1 1093 101 101 SER H H 9.002 0.020 1 1094 101 101 SER HA H 4.876 0.020 1 1095 101 101 SER HB2 H 4.459 0.020 2 1096 101 101 SER HB3 H 4.030 0.020 2 1097 101 101 SER C C 175.284 0.3 1 1098 101 101 SER CA C 55.860 0.3 1 1099 101 101 SER CB C 66.583 0.3 1 1100 101 101 SER N N 125.039 0.3 1 1101 102 102 ALA H H 9.199 0.020 1 1102 102 102 ALA HA H 3.954 0.020 1 1103 102 102 ALA HB H 1.511 0.020 1 1104 102 102 ALA C C 179.338 0.3 1 1105 102 102 ALA CA C 55.985 0.3 1 1106 102 102 ALA CB C 17.965 0.3 1 1107 102 102 ALA N N 124.222 0.3 1 1108 103 103 ALA H H 8.226 0.020 1 1109 103 103 ALA HA H 4.071 0.020 1 1110 103 103 ALA HB H 1.458 0.020 1 1111 103 103 ALA C C 181.345 0.3 1 1112 103 103 ALA CA C 55.145 0.3 1 1113 103 103 ALA CB C 18.352 0.3 1 1114 103 103 ALA N N 119.511 0.3 1 1115 104 104 GLU H H 7.844 0.020 1 1116 104 104 GLU HA H 4.096 0.020 1 1117 104 104 GLU HB2 H 2.572 0.020 2 1118 104 104 GLU HB3 H 2.639 0.020 2 1119 104 104 GLU HG2 H 2.358 0.020 2 1120 104 104 GLU HG3 H 2.595 0.020 2 1121 104 104 GLU C C 179.310 0.3 1 1122 104 104 GLU CA C 59.245 0.3 1 1123 104 104 GLU CB C 29.271 0.3 1 1124 104 104 GLU CG C 37.831 0.3 1 1125 104 104 GLU N N 120.791 0.3 1 1126 105 105 LEU H H 8.607 0.020 1 1127 105 105 LEU HA H 4.139 0.020 1 1128 105 105 LEU HB2 H 1.602 0.020 2 1129 105 105 LEU HB3 H 1.906 0.020 2 1130 105 105 LEU HG H 1.681 0.020 1 1131 105 105 LEU HD1 H 0.928 0.020 1 1132 105 105 LEU HD2 H 0.938 0.020 1 1133 105 105 LEU C C 178.540 0.3 1 1134 105 105 LEU CA C 58.291 0.3 1 1135 105 105 LEU CB C 42.098 0.3 1 1136 105 105 LEU CG C 27.198 0.3 1 1137 105 105 LEU CD1 C 24.458 0.3 1 1138 105 105 LEU CD2 C 25.962 0.3 1 1139 105 105 LEU N N 122.253 0.3 1 1140 106 106 ARG H H 8.541 0.020 1 1141 106 106 ARG HA H 3.841 0.020 1 1142 106 106 ARG HB2 H 1.979 0.020 1 1143 106 106 ARG HB3 H 1.979 0.020 1 1144 106 106 ARG HG2 H 1.657 0.020 2 1145 106 106 ARG HG3 H 1.694 0.020 2 1146 106 106 ARG HD2 H 3.183 0.020 2 1147 106 106 ARG HD3 H 3.275 0.020 2 1148 106 106 ARG C C 178.675 0.3 1 1149 106 106 ARG CA C 59.876 0.3 1 1150 106 106 ARG CB C 30.450 0.3 1 1151 106 106 ARG CG C 27.778 0.3 1 1152 106 106 ARG CD C 43.699 0.3 1 1153 106 106 ARG N N 118.637 0.3 1 1154 107 107 HIS H H 7.911 0.020 1 1155 107 107 HIS HA H 4.345 0.020 1 1156 107 107 HIS HB2 H 3.291 0.020 2 1157 107 107 HIS HB3 H 3.341 0.020 2 1158 107 107 HIS HD2 H 6.959 0.020 1 1159 107 107 HIS HE1 H 7.813 0.020 1 1160 107 107 HIS C C 177.577 0.3 1 1161 107 107 HIS CA C 59.633 0.3 1 1162 107 107 HIS CB C 30.890 0.3 1 1163 107 107 HIS CD2 C 120.765 0.3 1 1164 107 107 HIS CE1 C 138.872 0.3 1 1165 107 107 HIS N N 120.075 0.3 1 1166 108 108 VAL H H 7.953 0.020 1 1167 108 108 VAL HA H 3.517 0.020 1 1168 108 108 VAL HB H 2.005 0.020 1 1169 108 108 VAL HG1 H 0.444 0.020 1 1170 108 108 VAL HG2 H 0.854 0.020 1 1171 108 108 VAL C C 178.110 0.3 1 1172 108 108 VAL CA C 66.016 0.3 1 1173 108 108 VAL CB C 31.773 0.3 1 1174 108 108 VAL CG1 C 20.766 0.3 1 1175 108 108 VAL CG2 C 22.871 0.3 1 1176 108 108 VAL N N 119.941 0.3 1 1177 109 109 MET H H 8.253 0.020 1 1178 109 109 MET HA H 4.370 0.020 1 1179 109 109 MET HB2 H 2.192 0.020 2 1180 109 109 MET HB3 H 2.034 0.020 2 1181 109 109 MET HG2 H 2.794 0.020 2 1182 109 109 MET HG3 H 2.672 0.020 2 1183 109 109 MET HE H 2.092 0.020 1 1184 109 109 MET C C 178.652 0.3 1 1185 109 109 MET CA C 57.540 0.3 1 1186 109 109 MET CB C 31.343 0.3 1 1187 109 109 MET CG C 33.065 0.3 1 1188 109 109 MET CE C 17.551 0.3 1 1189 109 109 MET N N 117.807 0.3 1 1190 110 110 THR H H 8.142 0.020 1 1191 110 110 THR HA H 4.224 0.020 1 1192 110 110 THR HB H 4.320 0.020 1 1193 110 110 THR HG2 H 1.275 0.020 1 1194 110 110 THR C C 177.510 0.3 1 1195 110 110 THR CA C 65.647 0.3 1 1196 110 110 THR CB C 68.977 0.3 1 1197 110 110 THR CG2 C 21.481 0.3 1 1198 110 110 THR N N 115.860 0.3 1 1199 111 111 ASN H H 7.923 0.020 1 1200 111 111 ASN HA H 4.542 0.020 1 1201 111 111 ASN HB2 H 2.831 0.020 1 1202 111 111 ASN HB3 H 2.831 0.020 1 1203 111 111 ASN HD21 H 7.443 0.020 1 1204 111 111 ASN HD22 H 6.595 0.020 1 1205 111 111 ASN C C 176.395 0.3 1 1206 111 111 ASN CA C 55.641 0.3 1 1207 111 111 ASN CB C 38.508 0.3 1 1208 111 111 ASN N N 123.260 0.3 1 1209 111 111 ASN ND2 N 113.427 0.3 1 1210 112 112 LEU H H 7.901 0.020 1 1211 112 112 LEU HA H 4.354 0.020 1 1212 112 112 LEU HB2 H 1.900 0.020 2 1213 112 112 LEU HB3 H 1.757 0.020 2 1214 112 112 LEU HG H 1.826 0.020 1 1215 112 112 LEU HD1 H 0.901 0.020 1 1216 112 112 LEU HD2 H 0.874 0.020 1 1217 112 112 LEU C C 177.470 0.3 1 1218 112 112 LEU CA C 55.425 0.3 1 1219 112 112 LEU CB C 42.096 0.3 1 1220 112 112 LEU CG C 26.509 0.3 1 1221 112 112 LEU CD1 C 25.506 0.3 1 1222 112 112 LEU CD2 C 22.590 0.3 1 1223 112 112 LEU N N 120.328 0.3 1 1224 113 113 GLY H H 7.875 0.020 1 1225 113 113 GLY HA2 H 3.770 0.020 2 1226 113 113 GLY HA3 H 4.258 0.020 2 1227 113 113 GLY C C 174.404 0.3 1 1228 113 113 GLY CA C 45.470 0.3 1 1229 113 113 GLY N N 108.067 0.3 1 1230 114 114 GLU H H 7.923 0.020 1 1231 114 114 GLU HA H 4.440 0.020 1 1232 114 114 GLU HB2 H 1.771 0.020 2 1233 114 114 GLU HB3 H 1.998 0.020 2 1234 114 114 GLU HG2 H 2.150 0.020 2 1235 114 114 GLU HG3 H 2.273 0.020 2 1236 114 114 GLU C C 175.627 0.3 1 1237 114 114 GLU CA C 55.371 0.3 1 1238 114 114 GLU CB C 30.503 0.3 1 1239 114 114 GLU CG C 35.522 0.3 1 1240 114 114 GLU N N 121.648 0.3 1 1241 115 115 LYS H H 8.525 0.020 1 1242 115 115 LYS HA H 4.404 0.020 1 1243 115 115 LYS HB2 H 1.737 0.020 2 1244 115 115 LYS HB3 H 1.823 0.020 2 1245 115 115 LYS HG2 H 1.362 0.020 2 1246 115 115 LYS HG3 H 1.434 0.020 2 1247 115 115 LYS HD3 H 1.690 0.020 1 1248 115 115 LYS HE2 H 3.017 0.020 1 1249 115 115 LYS C C 175.691 0.3 1 1250 115 115 LYS CA C 55.616 0.3 1 1251 115 115 LYS CB C 32.154 0.3 1 1252 115 115 LYS CG C 24.597 0.3 1 1253 115 115 LYS CD C 29.098 0.3 1 1254 115 115 LYS CE C 41.989 0.3 1 1255 115 115 LYS N N 124.787 0.3 1 1256 116 116 LEU H H 8.028 0.020 1 1257 116 116 LEU HA H 4.778 0.020 1 1258 116 116 LEU HB2 H 1.503 0.020 2 1259 116 116 LEU HB3 H 1.597 0.020 2 1260 116 116 LEU HG H 1.607 0.020 1 1261 116 116 LEU HD1 H 0.836 0.020 1 1262 116 116 LEU HD2 H 0.846 0.020 1 1263 116 116 LEU C C 177.988 0.3 1 1264 116 116 LEU CA C 54.184 0.3 1 1265 116 116 LEU CB C 44.765 0.3 1 1266 116 116 LEU CG C 27.170 0.3 1 1267 116 116 LEU CD1 C 26.560 0.3 1 1268 116 116 LEU CD2 C 23.930 0.3 1 1269 116 116 LEU N N 125.704 0.3 1 1270 117 117 THR H H 9.124 0.020 1 1271 117 117 THR HA H 4.501 0.020 1 1272 117 117 THR HB H 4.765 0.020 1 1273 117 117 THR HG2 H 1.366 0.020 1 1274 117 117 THR C C 175.555 0.3 1 1275 117 117 THR CA C 60.673 0.3 1 1276 117 117 THR CB C 71.268 0.3 1 1277 117 117 THR CG2 C 21.740 0.3 1 1278 117 117 THR N N 115.614 0.3 1 1279 118 118 ASP H H 8.857 0.020 1 1280 118 118 ASP HA H 4.239 0.020 1 1281 118 118 ASP HB2 H 2.612 0.020 2 1282 118 118 ASP HB3 H 2.759 0.020 2 1283 118 118 ASP C C 178.616 0.3 1 1284 118 118 ASP CA C 58.040 0.3 1 1285 118 118 ASP CB C 39.775 0.3 1 1286 118 118 ASP N N 122.202 0.3 1 1287 119 119 GLU H H 8.703 0.020 1 1288 119 119 GLU HA H 4.129 0.020 1 1289 119 119 GLU HB2 H 2.074 0.020 2 1290 119 119 GLU HB3 H 1.993 0.020 2 1291 119 119 GLU HG2 H 2.424 0.020 2 1292 119 119 GLU HG3 H 2.356 0.020 2 1293 119 119 GLU C C 179.214 0.3 1 1294 119 119 GLU CA C 60.002 0.3 1 1295 119 119 GLU CB C 29.026 0.3 1 1296 119 119 GLU CG C 36.907 0.3 1 1297 119 119 GLU N N 120.223 0.3 1 1298 120 120 GLU H H 7.751 0.020 1 1299 120 120 GLU HA H 4.040 0.020 1 1300 120 120 GLU HB2 H 2.408 0.020 2 1301 120 120 GLU HB3 H 1.978 0.020 2 1302 120 120 GLU HG2 H 2.293 0.020 2 1303 120 120 GLU HG3 H 2.381 0.020 2 1304 120 120 GLU C C 180.040 0.3 1 1305 120 120 GLU CA C 59.294 0.3 1 1306 120 120 GLU CB C 30.382 0.3 1 1307 120 120 GLU CG C 37.896 0.3 1 1308 120 120 GLU N N 121.713 0.3 1 1309 121 121 VAL H H 8.096 0.020 1 1310 121 121 VAL HA H 3.653 0.020 1 1311 121 121 VAL HB H 2.252 0.020 1 1312 121 121 VAL HG1 H 1.052 0.020 1 1313 121 121 VAL HG2 H 1.005 0.020 1 1314 121 121 VAL C C 177.260 0.3 1 1315 121 121 VAL CA C 66.904 0.3 1 1316 121 121 VAL CB C 31.346 0.3 1 1317 121 121 VAL CG1 C 22.276 0.3 1 1318 121 121 VAL CG2 C 23.812 0.3 1 1319 121 121 VAL N N 122.335 0.3 1 1320 122 122 ASP H H 8.051 0.020 1 1321 122 122 ASP HA H 4.366 0.020 1 1322 122 122 ASP HB2 H 2.798 0.020 2 1323 122 122 ASP HB3 H 2.652 0.020 2 1324 122 122 ASP C C 179.249 0.3 1 1325 122 122 ASP CA C 57.729 0.3 1 1326 122 122 ASP CB C 40.545 0.3 1 1327 122 122 ASP N N 120.993 0.3 1 1328 123 123 GLU H H 7.970 0.020 1 1329 123 123 GLU HA H 4.071 0.020 1 1330 123 123 GLU HB2 H 2.134 0.020 2 1331 123 123 GLU HB3 H 2.113 0.020 2 1332 123 123 GLU HG2 H 2.323 0.020 2 1333 123 123 GLU HG3 H 2.376 0.020 2 1334 123 123 GLU C C 178.015 0.3 1 1335 123 123 GLU CA C 59.285 0.3 1 1336 123 123 GLU CB C 29.033 0.3 1 1337 123 123 GLU CG C 36.097 0.3 1 1338 123 123 GLU N N 120.657 0.3 1 1339 124 124 MET H H 7.841 0.020 1 1340 124 124 MET HA H 4.079 0.020 1 1341 124 124 MET HB2 H 2.311 0.020 2 1342 124 124 MET HB3 H 2.100 0.020 2 1343 124 124 MET HG2 H 2.505 0.020 2 1344 124 124 MET HG3 H 2.780 0.020 2 1345 124 124 MET HE H 1.921 0.020 1 1346 124 124 MET C C 179.314 0.3 1 1347 124 124 MET CA C 59.327 0.3 1 1348 124 124 MET CB C 33.277 0.3 1 1349 124 124 MET CG C 32.313 0.3 1 1350 124 124 MET CE C 17.078 0.3 1 1351 124 124 MET N N 120.796 0.3 1 1352 125 125 ILE H H 7.982 0.020 1 1353 125 125 ILE HA H 3.538 0.020 1 1354 125 125 ILE HB H 2.127 0.020 1 1355 125 125 ILE HG12 H 1.290 0.020 2 1356 125 125 ILE HG13 H 1.574 0.020 2 1357 125 125 ILE HG2 H 0.772 0.020 1 1358 125 125 ILE HD1 H 0.767 0.020 1 1359 125 125 ILE C C 177.074 0.3 1 1360 125 125 ILE CA C 63.929 0.3 1 1361 125 125 ILE CB C 36.437 0.3 1 1362 125 125 ILE CG1 C 28.320 0.3 1 1363 125 125 ILE CG2 C 16.325 0.3 1 1364 125 125 ILE CD1 C 11.128 0.3 1 1365 125 125 ILE N N 119.630 0.3 1 1366 126 126 ARG H H 8.167 0.020 1 1367 126 126 ARG HA H 4.039 0.020 1 1368 126 126 ARG HB2 H 1.908 0.020 2 1369 126 126 ARG HB3 H 1.965 0.020 2 1370 126 126 ARG HG2 H 1.659 0.020 2 1371 126 126 ARG HG3 H 1.803 0.020 2 1372 126 126 ARG HD2 H 3.252 0.020 1 1373 126 126 ARG C C 179.374 0.3 1 1374 126 126 ARG CA C 59.603 0.3 1 1375 126 126 ARG CB C 30.176 0.3 1 1376 126 126 ARG CG C 27.781 0.3 1 1377 126 126 ARG CD C 43.462 0.3 1 1378 126 126 ARG N N 119.695 0.3 1 1379 127 127 GLU H H 7.952 0.020 1 1380 127 127 GLU HA H 4.021 0.020 1 1381 127 127 GLU HB2 H 2.076 0.020 1 1382 127 127 GLU HB3 H 2.076 0.020 1 1383 127 127 GLU HG2 H 2.298 0.020 2 1384 127 127 GLU HG3 H 2.441 0.020 2 1385 127 127 GLU C C 177.347 0.3 1 1386 127 127 GLU CA C 58.505 0.3 1 1387 127 127 GLU CB C 29.599 0.3 1 1388 127 127 GLU CG C 36.320 0.3 1 1389 127 127 GLU N N 117.258 0.3 1 1390 128 128 ALA H H 7.397 0.020 1 1391 128 128 ALA HA H 4.427 0.020 1 1392 128 128 ALA HB H 1.456 0.020 1 1393 128 128 ALA C C 177.826 0.3 1 1394 128 128 ALA CA C 52.104 0.3 1 1395 128 128 ALA CB C 21.084 0.3 1 1396 128 128 ALA N N 120.296 0.3 1 1397 129 129 ASP H H 7.862 0.020 1 1398 129 129 ASP HA H 4.543 0.020 1 1399 129 129 ASP HB2 H 2.522 0.020 2 1400 129 129 ASP HB3 H 2.891 0.020 2 1401 129 129 ASP C C 176.169 0.3 1 1402 129 129 ASP CA C 53.982 0.3 1 1403 129 129 ASP CB C 40.268 0.3 1 1404 129 129 ASP N N 118.606 0.3 1 1405 130 130 ILE H H 8.433 0.020 1 1406 130 130 ILE HA H 3.950 0.020 1 1407 130 130 ILE HB H 2.034 0.020 1 1408 130 130 ILE HG12 H 1.374 0.020 2 1409 130 130 ILE HG13 H 1.716 0.020 2 1410 130 130 ILE HG2 H 0.983 0.020 1 1411 130 130 ILE HD1 H 0.923 0.020 1 1412 130 130 ILE C C 177.926 0.3 1 1413 130 130 ILE CA C 63.315 0.3 1 1414 130 130 ILE CB C 38.594 0.3 1 1415 130 130 ILE CG1 C 27.806 0.3 1 1416 130 130 ILE CG2 C 17.357 0.3 1 1417 130 130 ILE CD1 C 12.291 0.3 1 1418 130 130 ILE N N 128.949 0.3 1 1419 131 131 ASP H H 8.316 0.020 1 1420 131 131 ASP HA H 4.584 0.020 1 1421 131 131 ASP HB2 H 3.111 0.020 2 1422 131 131 ASP HB3 H 2.671 0.020 2 1423 131 131 ASP C C 178.326 0.3 1 1424 131 131 ASP CA C 53.725 0.3 1 1425 131 131 ASP CB C 39.813 0.3 1 1426 131 131 ASP N N 117.990 0.3 1 1427 132 132 GLY H H 7.602 0.020 1 1428 132 132 GLY HA2 H 3.848 0.020 2 1429 132 132 GLY HA3 H 4.002 0.020 2 1430 132 132 GLY C C 175.314 0.3 1 1431 132 132 GLY CA C 47.495 0.3 1 1432 132 132 GLY N N 109.741 0.3 1 1433 133 133 ASP H H 8.365 0.020 1 1434 133 133 ASP HA H 4.505 0.020 1 1435 133 133 ASP HB2 H 2.975 0.020 2 1436 133 133 ASP HB3 H 2.523 0.020 2 1437 133 133 ASP C C 177.647 0.3 1 1438 133 133 ASP CA C 53.646 0.3 1 1439 133 133 ASP CB C 40.306 0.3 1 1440 133 133 ASP N N 122.004 0.3 1 1441 134 134 GLY H H 10.381 0.020 1 1442 134 134 GLY HA2 H 3.458 0.020 2 1443 134 134 GLY HA3 H 4.066 0.020 2 1444 134 134 GLY C C 172.905 0.3 1 1445 134 134 GLY CA C 45.743 0.3 1 1446 134 134 GLY N N 114.202 0.3 1 1447 135 135 GLN H H 7.986 0.020 1 1448 135 135 GLN HA H 4.878 0.020 1 1449 135 135 GLN HB2 H 1.719 0.020 2 1450 135 135 GLN HB3 H 2.008 0.020 2 1451 135 135 GLN HG2 H 1.970 0.020 1 1452 135 135 GLN HE21 H 6.491 0.020 1 1453 135 135 GLN HE22 H 5.897 0.020 1 1454 135 135 GLN C C 174.721 0.3 1 1455 135 135 GLN CA C 53.109 0.3 1 1456 135 135 GLN CB C 31.944 0.3 1 1457 135 135 GLN CG C 32.913 0.3 1 1458 135 135 GLN CD C 178.884 0.3 1 1459 135 135 GLN N N 116.655 0.3 1 1460 135 135 GLN NE2 N 110.259 0.3 1 1461 136 136 VAL H H 9.162 0.020 1 1462 136 136 VAL HA H 5.232 0.020 1 1463 136 136 VAL HB H 2.335 0.020 1 1464 136 136 VAL HG1 H 1.303 0.020 1 1465 136 136 VAL HG2 H 0.938 0.020 1 1466 136 136 VAL C C 175.859 0.3 1 1467 136 136 VAL CA C 61.734 0.3 1 1468 136 136 VAL CB C 33.669 0.3 1 1469 136 136 VAL CG1 C 22.140 0.3 1 1470 136 136 VAL CG2 C 22.304 0.3 1 1471 136 136 VAL N N 126.624 0.3 1 1472 137 137 ASN H H 9.572 0.020 1 1473 137 137 ASN HA H 5.241 0.020 1 1474 137 137 ASN HB2 H 3.355 0.020 2 1475 137 137 ASN HB3 H 3.280 0.020 2 1476 137 137 ASN HD21 H 7.237 0.020 1 1477 137 137 ASN HD22 H 6.852 0.020 1 1478 137 137 ASN C C 174.942 0.3 1 1479 137 137 ASN CA C 51.094 0.3 1 1480 137 137 ASN CB C 38.261 0.3 1 1481 137 137 ASN CG C 175.288 0.3 1 1482 137 137 ASN N N 130.230 0.3 1 1483 137 137 ASN ND2 N 110.098 0.3 1 1484 138 138 TYR H H 8.462 0.020 1 1485 138 138 TYR HA H 3.482 0.020 1 1486 138 138 TYR HB2 H 2.124 0.020 2 1487 138 138 TYR HB3 H 2.438 0.020 2 1488 138 138 TYR HD1 H 6.318 0.020 1 1489 138 138 TYR HD2 H 6.318 0.020 1 1490 138 138 TYR HE1 H 6.536 0.020 1 1491 138 138 TYR HE2 H 6.536 0.020 1 1492 138 138 TYR C C 176.091 0.3 1 1493 138 138 TYR CA C 62.859 0.3 1 1494 138 138 TYR CB C 37.611 0.3 1 1495 138 138 TYR CD1 C 132.543 0.3 1 1496 138 138 TYR CE1 C 118.110 0.3 1 1497 138 138 TYR N N 119.587 0.3 1 1498 139 139 GLU H H 8.107 0.020 1 1499 139 139 GLU HA H 3.684 0.020 1 1500 139 139 GLU HB2 H 2.132 0.020 2 1501 139 139 GLU HB3 H 2.011 0.020 2 1502 139 139 GLU HG2 H 2.410 0.020 2 1503 139 139 GLU HG3 H 2.331 0.020 2 1504 139 139 GLU C C 180.618 0.3 1 1505 139 139 GLU CA C 60.486 0.3 1 1506 139 139 GLU CB C 28.994 0.3 1 1507 139 139 GLU CG C 37.229 0.3 1 1508 139 139 GLU N N 119.553 0.3 1 1509 140 140 GLU H H 8.752 0.020 1 1510 140 140 GLU HA H 4.073 0.020 1 1511 140 140 GLU HB2 H 2.600 0.020 2 1512 140 140 GLU HB3 H 2.255 0.020 2 1513 140 140 GLU HG2 H 2.502 0.020 2 1514 140 140 GLU HG3 H 2.889 0.020 2 1515 140 140 GLU C C 179.347 0.3 1 1516 140 140 GLU CA C 58.511 0.3 1 1517 140 140 GLU CB C 29.806 0.3 1 1518 140 140 GLU CG C 36.941 0.3 1 1519 140 140 GLU N N 121.010 0.3 1 1520 141 141 PHE H H 8.989 0.020 1 1521 141 141 PHE HA H 4.033 0.020 1 1522 141 141 PHE HB2 H 3.226 0.020 2 1523 141 141 PHE HB3 H 3.420 0.020 2 1524 141 141 PHE HD1 H 6.955 0.020 1 1525 141 141 PHE HD2 H 6.955 0.020 1 1526 141 141 PHE HE1 H 7.147 0.020 1 1527 141 141 PHE HE2 H 7.147 0.020 1 1528 141 141 PHE HZ H 7.005 0.020 1 1529 141 141 PHE C C 176.815 0.3 1 1530 141 141 PHE CA C 61.557 0.3 1 1531 141 141 PHE CB C 39.782 0.3 1 1532 141 141 PHE CD1 C 132.229 0.3 1 1533 141 141 PHE CE1 C 131.611 0.3 1 1534 141 141 PHE CZ C 129.763 0.3 1 1535 141 141 PHE N N 125.868 0.3 1 1536 142 142 VAL H H 8.522 0.020 1 1537 142 142 VAL HA H 3.163 0.020 1 1538 142 142 VAL HB H 1.914 0.020 1 1539 142 142 VAL HG1 H 0.778 0.020 1 1540 142 142 VAL HG2 H 0.565 0.020 1 1541 142 142 VAL C C 179.516 0.3 1 1542 142 142 VAL CA C 67.030 0.3 1 1543 142 142 VAL CB C 31.590 0.3 1 1544 142 142 VAL CG1 C 21.244 0.3 1 1545 142 142 VAL CG2 C 22.814 0.3 1 1546 142 142 VAL N N 120.603 0.3 1 1547 143 143 GLN H H 7.385 0.020 1 1548 143 143 GLN HA H 3.927 0.020 1 1549 143 143 GLN HB2 H 2.192 0.020 2 1550 143 143 GLN HB3 H 2.141 0.020 2 1551 143 143 GLN HG2 H 2.424 0.020 2 1552 143 143 GLN HG3 H 2.456 0.020 2 1553 143 143 GLN HE21 H 7.447 0.020 1 1554 143 143 GLN HE22 H 6.744 0.020 1 1555 143 143 GLN C C 177.891 0.3 1 1556 143 143 GLN CA C 58.796 0.3 1 1557 143 143 GLN CB C 28.076 0.3 1 1558 143 143 GLN CG C 33.906 0.3 1 1559 143 143 GLN N N 119.248 0.3 1 1560 143 143 GLN NE2 N 113.449 0.3 1 1561 144 144 MET H H 7.977 0.020 1 1562 144 144 MET HA H 4.123 0.020 1 1563 144 144 MET HB2 H 2.115 0.020 1 1564 144 144 MET HB3 H 2.115 0.020 1 1565 144 144 MET HG2 H 2.371 0.020 2 1566 144 144 MET HG3 H 2.564 0.020 2 1567 144 144 MET HE H 2.060 0.020 1 1568 144 144 MET C C 177.964 0.3 1 1569 144 144 MET CA C 58.395 0.3 1 1570 144 144 MET CB C 33.456 0.3 1 1571 144 144 MET CG C 31.370 0.3 1 1572 144 144 MET CE C 17.277 0.3 1 1573 144 144 MET N N 120.844 0.3 1 1574 145 145 MET H H 7.867 0.020 1 1575 145 145 MET HA H 4.337 0.020 1 1576 145 145 MET HB2 H 1.685 0.020 1 1577 145 145 MET HB3 H 1.685 0.020 1 1578 145 145 MET HG2 H 1.732 0.020 1 1579 145 145 MET HE H 1.877 0.020 1 1580 145 145 MET C C 177.575 0.3 1 1581 145 145 MET CA C 55.278 0.3 1 1582 145 145 MET CB C 32.120 0.3 1 1583 145 145 MET CG C 32.104 0.3 1 1584 145 145 MET CE C 16.996 0.3 1 1585 145 145 MET N N 116.001 0.3 1 1586 146 146 THR H H 7.608 0.020 1 1587 146 146 THR HA H 4.322 0.020 1 1588 146 146 THR HB H 4.269 0.020 1 1589 146 146 THR HG2 H 1.207 0.020 1 1590 146 146 THR C C 174.268 0.3 1 1591 146 146 THR CA C 62.646 0.3 1 1592 146 146 THR CB C 70.159 0.3 1 1593 146 146 THR CG2 C 21.253 0.3 1 1594 146 146 THR N N 112.874 0.3 1 1595 147 147 ALA H H 7.761 0.020 1 1596 147 147 ALA HA H 4.350 0.020 1 1597 147 147 ALA HB H 1.432 0.020 1 1598 147 147 ALA C C 176.659 0.3 1 1599 147 147 ALA CA C 52.770 0.3 1 1600 147 147 ALA CB C 19.057 0.3 1 1601 147 147 ALA N N 127.713 0.3 1 1602 148 148 LYS H H 7.679 0.020 1 1603 148 148 LYS HA H 4.163 0.020 1 1604 148 148 LYS HB2 H 1.723 0.020 2 1605 148 148 LYS HB3 H 1.851 0.020 2 1606 148 148 LYS HG2 H 1.363 0.020 2 1607 148 148 LYS HG3 H 1.420 0.020 2 1608 148 148 LYS HD3 H 1.676 0.020 1 1609 148 148 LYS HE2 H 3.013 0.020 1 1610 148 148 LYS C C 181.429 0.3 1 1611 148 148 LYS CA C 57.509 0.3 1 1612 148 148 LYS CB C 33.634 0.3 1 1613 148 148 LYS CG C 24.595 0.3 1 1614 148 148 LYS CD C 29.070 0.3 1 1615 148 148 LYS CE C 42.121 0.3 1 1616 148 148 LYS N N 126.724 0.3 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600 _T1_coherence_type Sz _T1_value_units s _Mol_system_component_name unit_1 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 4 LEU N 0.81 0.05 2 5 THR N 0.75 0.05 3 6 GLU N 0.77 0.07 4 7 GLU N 0.76 0.07 5 8 GLN N 0.74 0.05 6 9 ILE N 0.72 0.02 7 10 ALA N 0.70 0.01 8 11 GLU N 0.68 0.02 9 12 PHE N 0.71 0.01 10 13 LYS N 0.71 0.02 11 14 GLU N 0.73 0.02 12 15 ALA N 0.73 0.01 13 16 PHE N 0.73 0.01 14 17 SER N 0.76 0.04 15 18 LEU N 0.73 0.02 16 20 ASP N 0.73 0.05 17 21 LYS N 0.68 0.02 18 22 ASP N 0.64 0.02 19 23 GLY N 0.67 0.03 20 24 ASP N 0.62 0.02 21 25 GLY N 0.60 0.03 22 26 THR N 0.64 0.06 23 27 ILE N 0.67 0.04 24 28 THR N 0.68 0.07 25 29 THR N 0.73 0.10 26 30 LYS N 0.69 0.07 27 31 GLU N 0.71 0.07 28 32 LEU N 0.70 0.05 29 33 GLY N 0.71 0.04 30 34 THR N 0.74 0.12 31 35 VAL N 0.68 0.06 32 36 MET N 0.70 0.03 33 37 ARG N 0.74 0.02 34 38 SER N 0.72 0.09 35 39 LEU N 0.72 0.07 36 40 GLY N 0.73 0.04 37 41 GLN N 0.74 0.05 38 42 ASN N 0.95 0.26 39 44 THR N 0.78 0.06 40 45 GLU N 0.74 0.07 41 46 ALA N 0.71 0.07 42 47 GLU N 0.74 0.05 43 48 LEU N 0.70 0.03 44 49 GLN N 0.69 0.02 45 50 ASP N 0.68 0.01 46 51 MET N 0.69 0.00 47 52 ILE N 0.70 0.01 48 53 ILE N 0.67 0.00 49 54 GLU N 0.67 0.00 50 55 VAL N 0.71 0.03 51 56 ASP N 0.70 0.01 52 57 ALA N 0.82 0.01 53 58 ASP N 0.67 0.01 54 59 GLY N 0.74 0.02 55 60 ASN N 0.72 0.02 56 61 GLY N 0.73 0.02 57 62 THR N 0.64 0.02 58 63 ILE N 0.70 0.06 59 64 ASP N 0.71 0.06 60 65 PHE N 0.76 0.04 61 67 GLU N 0.77 0.03 62 68 PHE N 0.72 0.03 63 69 LEU N 0.72 0.04 64 70 THR N 0.79 0.06 65 71 MET N 0.75 0.03 66 72 MET N 0.72 0.01 67 73 ALA N 0.74 0.02 68 74 ARG N 0.77 0.03 69 75 LYS N 0.73 0.08 70 76 MET N 0.65 0.05 71 77 LYS N 0.74 0.08 72 78 ASP N 0.76 0.14 73 79 THR N 0.75 0.13 74 80 ASP N 0.71 0.12 75 81 SER N 0.75 0.16 76 82 GLU N 0.76 0.11 77 83 GLU N 0.71 0.04 78 84 GLU N 0.71 0.04 79 85 ILE N 0.74 0.03 80 86 ARG N 0.75 0.05 81 87 GLU N 0.72 0.02 82 88 ALA N 0.71 0.03 83 89 PHE N 0.74 0.04 84 90 ARG N 0.74 0.03 85 91 VAL N 0.72 0.02 86 92 PHE N 0.74 0.02 87 93 ASP N 0.77 0.02 88 94 LYS N 0.71 0.01 89 95 ASP N 0.64 0.02 90 96 GLY N 0.64 0.02 91 97 ASN N 0.76 0.05 92 98 GLY N 0.64 0.02 93 99 TYR N 0.67 0.03 94 100 ILE N 0.69 0.02 95 101 SER N 0.66 0.06 96 102 ALA N 0.69 0.06 97 103 ALA N 0.68 0.07 98 104 GLU N 0.71 0.01 99 105 LEU N 0.66 0.03 100 106 ARG N 0.66 0.03 101 108 VAL N 0.68 0.03 102 109 MET N 0.65 0.03 103 110 THR N 0.71 0.11 104 111 ASN N 0.70 0.06 105 112 LEU N 0.69 0.03 106 113 GLY N 0.76 0.06 107 114 GLU N 0.67 0.05 108 115 LYS N 0.78 0.06 109 116 LEU N 0.80 0.04 110 117 THR N 0.71 0.03 111 118 ASP N 0.74 0.11 112 119 GLU N 0.69 0.06 113 120 GLU N 0.75 0.10 114 121 VAL N 0.70 0.03 115 122 ASP N 0.68 0.02 116 123 GLU N 0.64 0.01 117 124 MET N 0.67 0.05 118 125 ILE N 0.69 0.01 119 126 ARG N 0.66 0.01 120 127 GLU N 0.62 0.01 121 128 ALA N 0.70 0.01 122 129 ASP N 0.71 0.00 123 130 ILE N 0.91 0.01 124 131 ASP N 0.64 0.00 125 132 GLY N 0.72 0.01 126 133 ASP N 0.73 0.01 127 134 GLY N 0.67 0.01 128 135 GLN N 0.64 0.01 129 136 VAL N 0.68 0.02 130 137 ASN N 0.65 0.02 131 138 TYR N 0.67 0.03 132 139 GLU N 0.66 0.01 133 140 GLU N 0.65 0.03 134 141 PHE N 0.63 0.01 135 142 VAL N 0.63 0.02 136 143 GLN N 0.65 0.02 137 144 MET N 0.65 0.01 138 145 MET N 0.66 0.03 139 146 THR N 0.75 0.09 140 147 ALA N 0.70 0.07 141 148 LYS N 0.76 0.01 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units s _Mol_system_component_name unit_1 _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 GLN N 0.25 0.00 . . 2 4 LEU N 0.14 0.00 . . 3 5 THR N 0.11 0.00 . . 4 6 GLU N 0.08 0.00 . . 5 7 GLU N 0.08 0.00 . . 6 8 GLN N 0.08 0.00 . . 7 9 ILE N 0.08 0.00 . . 8 10 ALA N 0.07 0.00 . . 9 11 GLU N 0.08 0.00 . . 10 12 PHE N 0.07 0.00 . . 11 13 LYS N 0.08 0.00 . . 12 14 GLU N 0.07 0.00 . . 13 15 ALA N 0.07 0.00 . . 14 16 PHE N 0.07 0.00 . . 15 17 SER N 0.08 0.00 . . 16 18 LEU N 0.07 0.00 . . 17 19 PHE N 0.08 0.00 . . 18 20 ASP N 0.07 0.00 . . 19 21 LYS N 0.09 0.00 . . 20 22 ASP N 0.09 0.00 . . 21 23 GLY N 0.08 0.00 . . 22 24 ASP N 0.08 0.00 . . 23 25 GLY N 0.09 0.00 . . 24 26 THR N 0.08 0.00 . . 25 27 ILE N 0.06 0.00 . . 26 28 THR N 0.07 0.00 . . 27 29 THR N 0.09 0.00 . . 28 30 LYS N 0.09 0.00 . . 29 31 GLU N 0.08 0.00 . . 30 32 LEU N 0.08 0.00 . . 31 33 GLY N 0.08 0.00 . . 32 34 THR N 0.08 0.00 . . 33 35 VAL N 0.09 0.00 . . 34 36 MET N 0.08 0.00 . . 35 37 ARG N 0.07 0.00 . . 36 38 SER N 0.08 0.00 . . 37 39 LEU N 0.05 0.00 . . 38 40 GLY N 0.08 0.00 . . 39 41 GLN N 0.08 0.00 . . 40 42 ASN N 0.10 0.00 . . 41 44 THR N 0.09 0.00 . . 42 45 GLU N 0.09 0.00 . . 43 46 ALA N 0.09 0.00 . . 44 47 GLU N 0.08 0.00 . . 45 48 LEU N 0.08 0.00 . . 46 49 GLN N 0.08 0.00 . . 47 50 ASP N 0.08 0.00 . . 48 51 MET N 0.08 0.00 . . 49 52 ILE N 0.07 0.00 . . 50 53 ILE N 0.08 0.00 . . 51 54 GLU N 0.08 0.00 . . 52 55 VAL N 0.06 0.00 . . 53 56 ASP N 0.08 0.00 . . 54 57 ALA N 0.11 0.00 . . 55 58 ASP N 0.10 0.00 . . 56 59 GLY N 0.09 0.00 . . 57 60 ASN N 0.08 0.00 . . 58 61 GLY N 0.08 0.00 . . 59 62 THR N 0.08 0.00 . . 60 63 ILE N 0.08 0.00 . . 61 64 ASP N 0.09 0.00 . . 62 65 PHE N 0.07 0.00 . . 63 67 GLU N 0.07 0.00 . . 64 68 PHE N 0.08 0.00 . . 65 69 LEU N 0.08 0.00 . . 66 70 THR N 0.07 0.00 . . 67 71 MET N 0.07 0.00 . . 68 72 MET N 0.07 0.00 . . 69 73 ALA N 0.07 0.00 . . 70 74 ARG N 0.07 0.00 . . 71 75 LYS N 0.08 0.00 . . 72 76 MET N 0.08 0.00 . . 73 77 LYS N 0.10 0.00 . . 74 78 ASP N 0.12 0.00 . . 75 79 THR N 0.12 0.00 . . 76 80 ASP N 0.13 0.01 . . 77 81 SER N 0.10 0.00 . . 78 82 GLU N 0.09 0.00 . . 79 83 GLU N 0.09 0.00 . . 80 84 GLU N 0.08 0.00 . . 81 85 ILE N 0.07 0.00 . . 82 86 ARG N 0.07 0.00 . . 83 87 GLU N 0.07 0.00 . . 84 88 ALA N 0.08 0.00 . . 85 89 PHE N 0.07 0.00 . . 86 90 ARG N 0.08 0.00 . . 87 91 VAL N 0.08 0.00 . . 88 92 PHE N 0.07 0.00 . . 89 93 ASP N 0.07 0.00 . . 90 94 LYS N 0.10 0.00 . . 91 95 ASP N 0.10 0.00 . . 92 96 GLY N 0.10 0.01 . . 93 97 ASN N 0.08 0.00 . . 94 98 GLY N 0.10 0.00 . . 95 99 TYR N 0.09 0.00 . . 96 100 ILE N 0.10 0.00 . . 97 101 SER N 0.10 0.00 . . 98 102 ALA N 0.10 0.00 . . 99 103 ALA N 0.09 0.00 . . 100 104 GLU N 0.07 0.00 . . 101 105 LEU N 0.09 0.00 . . 102 106 ARG N 0.08 0.00 . . 103 108 VAL N 0.08 0.00 . . 104 109 MET N 0.06 0.00 . . 105 110 THR N 0.09 0.00 . . 106 111 ASN N 0.08 0.00 . . 107 112 LEU N 0.08 0.00 . . 108 113 GLY N 0.08 0.00 . . 109 114 GLU N 0.10 0.00 . . 110 115 LYS N 0.13 0.00 . . 111 116 LEU N 0.14 0.00 . . 112 117 THR N 0.11 0.00 . . 113 118 ASP N 0.09 0.00 . . 114 119 GLU N 0.09 0.00 . . 115 120 GLU N 0.08 0.00 . . 116 121 VAL N 0.08 0.00 . . 117 122 ASP N 0.08 0.00 . . 118 123 GLU N 0.09 0.00 . . 119 124 MET N 0.09 0.00 . . 120 125 ILE N 0.08 0.00 . . 121 126 ARG N 0.08 0.00 . . 122 127 GLU N 0.08 0.00 . . 123 128 ALA N 0.07 0.00 . . 124 129 ASP N 0.08 0.00 . . 125 130 ILE N 0.12 0.00 . . 126 131 ASP N 0.10 0.00 . . 127 132 GLY N 0.10 0.00 . . 128 133 ASP N 0.08 0.00 . . 129 134 GLY N 0.10 0.00 . . 130 135 GLN N 0.10 0.00 . . 131 136 VAL N 0.10 0.00 . . 132 137 ASN N 0.10 0.00 . . 133 138 TYR N 0.09 0.00 . . 134 139 GLU N 0.09 0.00 . . 135 140 GLU N 0.09 0.00 . . 136 141 PHE N 0.10 0.00 . . 137 142 VAL N 0.09 0.00 . . 138 143 GLN N 0.09 0.00 . . 139 144 MET N 0.08 0.00 . . 140 145 MET N 0.09 0.00 . . 141 146 THR N 0.08 0.00 . . 142 147 ALA N 0.10 0.00 . . 143 148 LYS N 0.24 0.00 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '{1H}-15N NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600 _Mol_system_component_name unit_1 _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 GLN -0.33 0.00 4 LEU 0.21 0.00 5 THR 0.63 0.01 6 GLU 0.68 0.01 7 GLU 0.68 0.01 8 GLN 0.71 0.01 9 ILE 0.69 0.01 10 ALA 0.70 0.01 11 GLU 0.75 0.01 12 PHE 0.74 0.01 13 LYS 0.75 0.01 14 GLU 0.77 0.01 15 ALA 0.73 0.01 16 PHE 0.77 0.01 17 SER 0.75 0.01 18 LEU 0.74 0.01 19 PHE 0.72 0.01 20 ASP 0.75 0.01 21 LYS 0.69 0.01 22 ASP 0.76 0.01 23 GLY 0.76 0.00 24 ASP 0.76 0.01 25 GLY 0.77 0.01 26 THR 0.79 0.01 27 ILE 0.78 0.02 28 THR 0.76 0.01 29 THR 0.72 0.01 30 LYS 0.70 0.01 31 GLU 0.70 0.01 32 LEU 0.73 0.01 33 GLY 0.73 0.01 34 THR 0.74 0.01 35 VAL 0.74 0.01 36 MET 0.72 0.01 37 ARG 0.76 0.01 38 SER 0.72 0.01 39 LEU 0.72 0.01 40 GLY 0.64 0.00 41 GLN 0.71 0.01 42 ASN 0.56 0.01 44 THR 0.65 0.01 45 GLU 0.73 0.01 46 ALA 0.71 0.00 47 GLU 0.69 0.01 48 LEU 0.72 0.01 49 GLN 0.72 0.01 50 ASP 0.71 0.01 51 MET 0.73 0.01 52 ILE 0.73 0.01 53 ILE 0.72 0.01 54 GLU 0.72 0.01 55 VAL 0.71 0.01 56 ASP 0.75 0.01 57 ALA 0.65 0.01 58 ASP 0.75 0.01 59 GLY 0.73 0.01 60 ASN 0.79 0.01 61 GLY 0.74 0.01 62 THR 0.76 0.00 63 ILE 0.76 0.01 64 ASP 0.77 0.01 65 PHE 0.72 0.01 67 GLU 0.76 0.01 68 PHE 0.77 0.01 69 LEU 0.73 0.01 70 THR 0.77 0.01 71 MET 0.75 0.01 72 MET 0.75 0.01 73 ALA 0.72 0.01 74 ARG 0.67 0.01 75 LYS 0.63 0.01 76 MET 0.60 0.01 77 LYS 0.45 0.01 78 ASP 0.34 0.01 79 THR 0.42 0.01 80 ASP 0.36 0.02 81 SER 0.49 0.01 82 GLU 0.59 0.01 83 GLU 0.65 0.01 84 GLU 0.67 0.01 85 ILE 0.69 0.01 86 ARG 0.72 0.01 87 GLU 0.77 0.01 88 ALA 0.72 0.01 89 PHE 0.75 0.01 90 ARG 0.72 0.01 91 VAL 0.76 0.01 92 PHE 0.73 0.01 93 ASP 0.75 0.01 94 LYS 0.72 0.01 95 ASP 0.76 0.01 96 GLY 0.75 0.01 97 ASN 0.74 0.01 98 GLY 0.75 0.01 99 TYR 0.77 0.01 100 ILE 0.75 0.01 101 SER 0.76 0.01 102 ALA 0.78 0.01 103 ALA 0.75 0.00 104 GLU 0.75 0.01 105 LEU 0.72 0.01 106 ARG 0.75 0.01 108 VAL 0.72 0.01 109 MET 0.71 0.01 110 THR 0.64 0.01 111 ASN 0.69 0.01 112 LEU 0.72 0.01 113 GLY 0.63 0.01 114 GLU 0.62 0.01 115 LYS 0.31 0.01 116 LEU 0.38 0.01 117 THR 0.68 0.01 118 ASP 0.71 0.01 119 GLU 0.68 0.01 120 GLU 0.71 0.01 121 VAL 0.72 0.01 122 ASP 0.71 0.01 123 GLU 0.71 0.01 124 MET 0.76 0.01 125 ILE 0.72 0.01 126 ARG 0.73 0.01 127 GLU 0.72 0.01 128 ALA 0.72 0.01 129 ASP 0.77 0.01 130 ILE 0.62 0.01 131 ASP 0.74 0.01 132 GLY 0.74 0.01 133 ASP 0.73 0.01 134 GLY 0.73 0.01 135 GLN 0.73 0.01 136 VAL 0.76 0.01 137 ASN 0.78 0.01 138 TYR 0.76 0.01 139 GLU 0.76 0.00 140 GLU 0.75 0.01 141 PHE 0.77 0.01 142 VAL 0.74 0.01 143 GLN 0.72 0.01 144 MET 0.70 0.01 145 MET 0.71 0.01 146 THR 0.64 0.01 147 ALA 0.45 0.00 148 LYS -0.02 0.00 stop_ save_