data_25588 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Direct attack of vanilloids on the regulation of the pain receptor TRPV1 ; _BMRB_accession_number 25588 _BMRB_flat_file_name bmr25588.str _Entry_type original _Submission_date 2015-04-29 _Accession_date 2015-04-29 _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 Hetenyi Anasztazia . . 2 Nemeth Lukacs . . 3 Weber Edit . . 4 Szakonyi Gerda . . 5 Winter Zoltan . . 6 Josvay Katalin . . 7 Olah Zoltan . . 8 Martinek Tamas A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1401 "13C chemical shifts" 1205 "15N chemical shifts" 421 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-24 update BMRB 'update entry citation' 2016-06-30 original author 'original release' stop_ _Original_release_date 2016-06-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Competitive inhibition of TRPV1 - calmodulin interaction by vanilloids ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27339229 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hetenyi Anasztazia . . 2 Nemeth Lukacs . . 3 Weber Edit . . 4 Szakonyi Gerda . . 5 Winter Zoltan . . 6 Josvay Katalin . . 7 Olah Zoltan . . 8 Martinek Tamas A. . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_volume 590 _Journal_issue 16 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2768 _Page_last 2775 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'High-affinity calmodulin complexes with vanilloid ligands of TRPV1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label calmodulin $Calmodulin 'CALCIUM ION' $entity_CA 'CALCIUM ION' $entity_CA 'CALCIUM ION' $entity_CA 'CALCIUM ION' $entity_CA (6E)-N-(4-HYDROXY-3-METHOXYBENZYL)-8-METHYLNON-6-ENAMIDE $entity_4DY stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Calmodulin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Calmodulin _Molecular_mass 16721.465 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN 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 ASN 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_ save_4DY _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_4DY ((6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide)" _BMRB_code 4DY _PDB_code 4DY _Molecular_mass 305.412 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C40 C40 C . 0 . ? C38 C38 C . 0 . ? C44 C44 C . 0 . ? C37 C37 C . 0 . ? C36 C36 C . 0 . ? C33 C33 C . 0 . ? C30 C30 C . 0 . ? C27 C27 C . 0 . ? C24 C24 C . 0 . ? C22 C22 C . 0 . ? O23 O23 O . 0 . ? N21 N21 N . 0 . ? C17 C17 C . 0 . ? C6 C6 C . 0 . ? O10 O10 O . 0 . ? O12 O12 O . 0 . ? C13 C13 C . 0 . ? H2 H2 H . 0 . ? H5 H5 H . 0 . ? H40 H40 H . 0 . ? H6T H6T H . 0 . ? H6S H6S H . 0 . ? H38 H38 H . 0 . ? H6U H6U H . 0 . ? H6V H6V H . 0 . ? H44 H44 H . 0 . ? H37 H37 H . 0 . ? H36 H36 H . 0 . ? H33 H33 H . 0 . ? H6R H6R H . 0 . ? H6Q H6Q H . 0 . ? H30 H30 H . 0 . ? H27 H27 H . 0 . ? H6P H6P H . 0 . ? H6O H6O H . 0 . ? H24 H24 H . 0 . ? H21 H21 H . 0 . ? H6N H6N H . 0 . ? H17 H17 H . 0 . ? H6 H6 H . 0 . ? H10 H10 H . 0 . ? H6M H6M H . 0 . ? H6L H6L H . 0 . ? H13 H13 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C40 C38 ? ? SING C30 C33 ? ? SING C30 C27 ? ? SING C37 C38 ? ? DOUB C37 C36 ? ? SING C33 C36 ? ? SING C38 C44 ? ? SING C24 C27 ? ? SING C24 C22 ? ? DOUB C5 C6 ? ? SING C5 C4 ? ? SING C6 C1 ? ? SING N21 C22 ? ? SING N21 C17 ? ? DOUB C22 O23 ? ? SING O10 C4 ? ? DOUB C4 C3 ? ? SING C1 C17 ? ? DOUB C1 C2 ? ? SING C3 C2 ? ? SING C3 O12 ? ? SING O12 C13 ? ? SING C2 H2 ? ? SING C5 H5 ? ? SING C40 H40 ? ? SING C40 H6T ? ? SING C40 H6S ? ? SING C38 H38 ? ? SING C44 H6U ? ? SING C44 H6V ? ? SING C44 H44 ? ? SING C37 H37 ? ? SING C36 H36 ? ? SING C33 H33 ? ? SING C33 H6R ? ? SING C30 H6Q ? ? SING C30 H30 ? ? SING C27 H27 ? ? SING C27 H6P ? ? SING C24 H6O ? ? SING C24 H24 ? ? SING N21 H21 ? ? SING C17 H6N ? ? SING C17 H17 ? ? SING C6 H6 ? ? SING O10 H10 ? ? SING C13 H6M ? ? SING C13 H6L ? ? SING C13 H13 ? ? 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 $Calmodulin Human 9606 Eukaryota Metazoa Homo sapiens 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 $Calmodulin 'recombinant technology' . Escherichia coli . pET28a(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CaM _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Calmodulin 60 uM '[U-98% 13C; U-98% 15N]' CaCl2 30 mM 'natural abundance' stop_ save_ save_CaM-CAP _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Calmodulin 60 uM '[U-98% 13C; U-98% 15N]' $entity_4DY 300 uM 'natural abundance' CaCl2 30 mM 'natural abundance' stop_ save_ save_CaM-RTX _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Calmodulin 60 uM '[U-98% 13C; U-98% 15N]' resiniferatoxin 180 uM 'natural abundance' CaCl2 30 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'geometry optimization' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker-Avance-III _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'equipped with a 5 mm CP-TCI triple-resonance cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $CaM save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $CaM save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $CaM save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $CaM save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $CaM save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $CaM save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $CaM save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $CaM save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $CaM 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' 30 . mM pH 7.0 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_CaM-assignments _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $CaM stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name calmodulin _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 HA H 4.251 . 1 2 1 1 ALA HB H 1.367 . 1 3 1 1 ALA C C 174.500 . 1 4 1 1 ALA CA C 50.260 . 1 5 1 1 ALA CB C 16.560 . 1 6 2 2 ASP H H 8.311 . 1 7 2 2 ASP HA H 4.614 . 1 8 2 2 ASP HB2 H 2.550 . 2 9 2 2 ASP HB3 H 2.680 . 2 10 2 2 ASP C C 173.000 . 1 11 2 2 ASP CA C 52.020 . 1 12 2 2 ASP CB C 38.820 . 1 13 2 2 ASP N N 118.400 . 1 14 3 3 GLN H H 8.321 . 1 15 3 3 GLN HA H 4.354 . 1 16 3 3 GLN HB2 H 2.027 . 2 17 3 3 GLN HB3 H 2.027 . 2 18 3 3 GLN C C 173.000 . 1 19 3 3 GLN CA C 52.910 . 1 20 3 3 GLN CB C 27.150 . 1 21 4 4 LEU H H 8.268 . 1 22 4 4 LEU HA H 4.650 . 1 23 4 4 LEU HB2 H 1.490 . 2 24 4 4 LEU HB3 H 1.728 . 2 25 4 4 LEU HD1 H 0.923 . 2 26 4 4 LEU C C 175.100 . 1 27 4 4 LEU CA C 51.790 . 1 28 4 4 LEU CB C 40.860 . 1 29 4 4 LEU CD1 C 24.450 . 2 30 4 4 LEU N N 123.200 . 1 31 5 5 THR H H 8.682 . 1 32 5 5 THR HA H 4.754 . 1 33 5 5 THR HB H 4.448 . 1 34 5 5 THR C C 172.800 . 1 35 5 5 THR CA C 57.880 . 1 36 5 5 THR CB C 68.480 . 1 37 5 5 THR N N 113.000 . 1 38 6 6 GLU H H 8.990 . 1 39 6 6 GLU HA H 3.963 . 1 40 6 6 GLU HB2 H 2.033 . 2 41 6 6 GLU HB3 H 2.033 . 2 42 6 6 GLU C C 176.800 . 1 43 6 6 GLU CA C 57.430 . 1 44 6 6 GLU CB C 26.520 . 1 45 6 6 GLU N N 120.500 . 1 46 7 7 GLU H H 8.668 . 1 47 7 7 GLU HA H 4.069 . 1 48 7 7 GLU HB2 H 2.005 . 2 49 7 7 GLU HB3 H 2.005 . 2 50 7 7 GLU C C 176.500 . 1 51 7 7 GLU CA C 57.380 . 1 52 7 7 GLU CB C 26.430 . 1 53 7 7 GLU N N 119.600 . 1 54 8 8 GLN H H 7.721 . 1 55 8 8 GLN HA H 3.869 . 1 56 8 8 GLN HB2 H 1.686 . 2 57 8 8 GLN HB3 H 1.686 . 2 58 8 8 GLN C C 175.700 . 1 59 8 8 GLN CA C 55.950 . 1 60 8 8 GLN CB C 26.810 . 1 61 8 8 GLN N N 120.100 . 1 62 9 9 ILE H H 8.373 . 1 63 9 9 ILE HA H 3.712 . 1 64 9 9 ILE HB H 1.949 . 1 65 9 9 ILE HG2 H 1.096 . 1 66 9 9 ILE HD1 H 0.844 . 1 67 9 9 ILE C C 175.100 . 1 68 9 9 ILE CA C 63.530 . 1 69 9 9 ILE CB C 35.080 . 1 70 9 9 ILE CG2 C 14.920 . 1 71 9 9 ILE CD1 C 10.450 . 1 72 9 9 ILE N N 119.600 . 1 73 10 10 ALA H H 7.984 . 1 74 10 10 ALA HB H 1.507 . 1 75 10 10 ALA C C 178.400 . 1 76 10 10 ALA CA C 52.790 . 1 77 10 10 ALA CB C 15.360 . 1 78 10 10 ALA N N 121.300 . 1 79 11 11 GLU H H 7.779 . 1 80 11 11 GLU HA H 4.147 . 1 81 11 11 GLU HB2 H 1.976 . 2 82 11 11 GLU HB3 H 1.976 . 2 83 11 11 GLU C C 177.900 . 1 84 11 11 GLU CA C 56.670 . 1 85 11 11 GLU CB C 26.500 . 1 86 11 11 GLU N N 119.500 . 1 87 12 12 PHE H H 8.562 . 1 88 12 12 PHE HA H 5.020 . 1 89 12 12 PHE HB2 H 3.442 . 2 90 12 12 PHE HB3 H 3.442 . 2 91 12 12 PHE C C 176.100 . 1 92 12 12 PHE CA C 56.610 . 1 93 12 12 PHE CB C 35.280 . 1 94 12 12 PHE N N 120.200 . 1 95 13 13 LYS H H 9.161 . 1 96 13 13 LYS HA H 3.989 . 1 97 13 13 LYS HB2 H 1.918 . 2 98 13 13 LYS HB3 H 1.918 . 2 99 13 13 LYS C C 176.700 . 1 100 13 13 LYS CA C 57.520 . 1 101 13 13 LYS CB C 29.310 . 1 102 13 13 LYS N N 123.500 . 1 103 14 14 GLU H H 7.786 . 1 104 14 14 GLU HA H 4.125 . 1 105 14 14 GLU HB2 H 2.203 . 2 106 14 14 GLU HB3 H 2.203 . 2 107 14 14 GLU C C 176.800 . 1 108 14 14 GLU CA C 56.730 . 1 109 14 14 GLU CB C 26.600 . 1 110 14 14 GLU N N 120.400 . 1 111 15 15 ALA H H 7.981 . 1 112 15 15 ALA HA H 4.283 . 1 113 15 15 ALA HB H 1.941 . 1 114 15 15 ALA C C 176.400 . 1 115 15 15 ALA CA C 52.590 . 1 116 15 15 ALA CB C 15.540 . 1 117 15 15 ALA N N 122.600 . 1 118 16 16 PHE H H 8.796 . 1 119 16 16 PHE HA H 3.206 . 1 120 16 16 PHE HB3 H 2.921 . 2 121 16 16 PHE C C 174.600 . 1 122 16 16 PHE CA C 59.360 . 1 123 16 16 PHE CB C 37.040 . 1 124 16 16 PHE N N 119.400 . 1 125 17 17 SER H H 7.898 . 1 126 17 17 SER HA H 4.028 . 1 127 17 17 SER C C 172.400 . 1 128 17 17 SER CA C 58.820 . 1 129 17 17 SER CB C 60.680 . 1 130 17 17 SER N N 112.600 . 1 131 18 18 LEU H H 7.426 . 1 132 18 18 LEU HA H 3.995 . 1 133 18 18 LEU C C 175.300 . 1 134 18 18 LEU CA C 54.490 . 1 135 18 18 LEU CB C 38.870 . 1 136 18 18 LEU N N 121.000 . 1 137 19 19 PHE H H 7.309 . 1 138 19 19 PHE C C 174.100 . 1 139 19 19 PHE CA C 56.640 . 1 140 19 19 PHE CB C 38.250 . 1 141 19 19 PHE N N 115.200 . 1 142 20 20 ASP H H 7.814 . 1 143 20 20 ASP HA H 4.540 . 1 144 20 20 ASP HB2 H 1.497 . 2 145 20 20 ASP HB3 H 2.363 . 2 146 20 20 ASP C C 174.500 . 1 147 20 20 ASP CA C 49.720 . 1 148 20 20 ASP CB C 36.200 . 1 149 20 20 ASP N N 117.700 . 1 150 21 21 LYS H H 7.652 . 1 151 21 21 LYS HA H 3.954 . 1 152 21 21 LYS HB2 H 1.868 . 2 153 21 21 LYS HB3 H 1.868 . 2 154 21 21 LYS C C 175.500 . 1 155 21 21 LYS CA C 55.890 . 1 156 21 21 LYS CB C 30.060 . 1 157 21 21 LYS N N 124.400 . 1 158 22 22 ASP H H 8.056 . 1 159 22 22 ASP HA H 4.585 . 1 160 22 22 ASP HB2 H 2.622 . 2 161 22 22 ASP HB3 H 3.050 . 2 162 22 22 ASP C C 175.000 . 1 163 22 22 ASP CA C 50.130 . 1 164 22 22 ASP CB C 36.910 . 1 165 22 22 ASP N N 113.900 . 1 166 23 23 GLY H H 7.660 . 1 167 23 23 GLY HA2 H 3.853 . 2 168 23 23 GLY HA3 H 4.144 . 2 169 23 23 GLY C C 172.300 . 1 170 23 23 GLY CA C 44.590 . 1 171 23 23 GLY N N 109.200 . 1 172 24 24 ASP H H 8.052 . 1 173 24 24 ASP HA H 4.617 . 1 174 24 24 ASP HB2 H 2.636 . 2 175 24 24 ASP HB3 H 3.299 . 2 176 24 24 ASP C C 174.200 . 1 177 24 24 ASP CA C 49.970 . 1 178 24 24 ASP CB C 35.090 . 1 179 24 24 ASP N N 118.600 . 1 180 25 25 GLY H H 10.570 . 1 181 25 25 GLY HA2 H 3.476 . 2 182 25 25 GLY HA3 H 4.193 . 2 183 25 25 GLY C C 170.600 . 1 184 25 25 GLY CA C 43.160 . 1 185 25 25 GLY N N 113.400 . 1 186 26 26 THR H H 7.661 . 1 187 26 26 THR HA H 5.271 . 1 188 26 26 THR HB H 3.836 . 1 189 26 26 THR HG2 H 1.021 . 1 190 26 26 THR C C 170.200 . 1 191 26 26 THR CA C 57.170 . 1 192 26 26 THR CB C 69.920 . 1 193 26 26 THR CG2 C 19.000 . 1 194 26 26 THR N N 109.100 . 1 195 27 27 ILE H H 9.766 . 1 196 27 27 ILE HA H 4.971 . 1 197 27 27 ILE HB H 1.806 . 1 198 27 27 ILE HG2 H 0.862 . 1 199 27 27 ILE HD1 H 0.263 . 1 200 27 27 ILE C C 173.400 . 1 201 27 27 ILE CA C 57.820 . 1 202 27 27 ILE CB C 36.720 . 1 203 27 27 ILE CG2 C 15.130 . 1 204 27 27 ILE CD1 C 12.690 . 1 205 27 27 ILE N N 127.100 . 1 206 28 28 THR H H 8.458 . 1 207 28 28 THR HA H 4.802 . 1 208 28 28 THR HG2 H 1.094 . 1 209 28 28 THR C C 173.900 . 1 210 28 28 THR CA C 56.980 . 1 211 28 28 THR CB C 69.730 . 1 212 28 28 THR CG2 C 19.710 . 1 213 28 28 THR N N 116.500 . 1 214 29 29 THR H H 9.066 . 1 215 29 29 THR HA H 4.169 . 1 216 29 29 THR HB H 3.781 . 1 217 29 29 THR HG2 H 1.255 . 1 218 29 29 THR C C 174.500 . 1 219 29 29 THR CA C 63.940 . 1 220 29 29 THR CB C 65.170 . 1 221 29 29 THR CG2 C 20.730 . 1 222 29 29 THR N N 112.900 . 1 223 30 30 LYS H H 7.664 . 1 224 30 30 LYS HA H 4.111 . 1 225 30 30 LYS HB2 H 1.831 . 2 226 30 30 LYS HB3 H 1.831 . 2 227 30 30 LYS C C 177.200 . 1 228 30 30 LYS CA C 56.530 . 1 229 30 30 LYS CB C 29.960 . 1 230 30 30 LYS N N 120.800 . 1 231 31 31 GLU H H 7.635 . 1 232 31 31 GLU HA H 4.065 . 1 233 31 31 GLU C C 176.500 . 1 234 31 31 GLU CA C 56.580 . 1 235 31 31 GLU CB C 27.160 . 1 236 31 31 GLU N N 121.400 . 1 237 32 32 LEU H H 8.699 . 1 238 32 32 LEU HA H 4.082 . 1 239 32 32 LEU HB2 H 1.505 . 2 240 32 32 LEU HB3 H 1.863 . 2 241 32 32 LEU C C 176.300 . 1 242 32 32 LEU CA C 55.410 . 1 243 32 32 LEU CB C 39.970 . 1 244 32 32 LEU N N 120.600 . 1 245 33 33 GLY H H 8.616 . 1 246 33 33 GLY HA2 H 3.563 . 2 247 33 33 GLY HA3 H 3.966 . 2 248 33 33 GLY C C 172.500 . 1 249 33 33 GLY CA C 45.720 . 1 250 33 33 GLY N N 105.600 . 1 251 34 34 THR H H 7.867 . 1 252 34 34 THR HA H 3.913 . 1 253 34 34 THR HB H 4.320 . 1 254 34 34 THR HG2 H 1.260 . 1 255 34 34 THR C C 174.500 . 1 256 34 34 THR CA C 64.250 . 1 257 34 34 THR CB C 66.100 . 1 258 34 34 THR CG2 C 19.010 . 1 259 34 34 THR N N 118.000 . 1 260 35 35 VAL H H 7.613 . 1 261 35 35 VAL HA H 3.458 . 1 262 35 35 VAL HB H 1.933 . 1 263 35 35 VAL HG1 H 0.647 . 2 264 35 35 VAL HG2 H 0.647 . 2 265 35 35 VAL C C 176.500 . 1 266 35 35 VAL CA C 63.630 . 1 267 35 35 VAL CB C 28.120 . 1 268 35 35 VAL CG1 C 20.310 . 2 269 35 35 VAL N N 122.100 . 1 270 36 36 MET H H 8.440 . 1 271 36 36 MET HA H 4.095 . 1 272 36 36 MET HB2 H 1.842 . 2 273 36 36 MET HB3 H 1.993 . 2 274 36 36 MET C C 176.500 . 1 275 36 36 MET CA C 56.420 . 1 276 36 36 MET N N 118.400 . 1 277 37 37 ARG H H 8.474 . 1 278 37 37 ARG HA H 4.801 . 1 279 37 37 ARG HB2 H 1.938 . 2 280 37 37 ARG HB3 H 1.938 . 2 281 37 37 ARG C C 178.500 . 1 282 37 37 ARG CA C 56.420 . 1 283 37 37 ARG N N 119.000 . 1 284 38 38 SER H H 7.899 . 1 285 38 38 SER HA H 4.380 . 1 286 38 38 SER HB2 H 4.085 . 2 287 38 38 SER HB3 H 4.085 . 2 288 38 38 SER C C 172.200 . 1 289 38 38 SER CA C 58.930 . 1 290 38 38 SER CB C 60.200 . 1 291 38 38 SER N N 118.800 . 1 292 39 39 LEU H H 7.364 . 1 293 39 39 LEU HA H 4.495 . 1 294 39 39 LEU HB2 H 1.829 . 2 295 39 39 LEU HB3 H 1.829 . 2 296 39 39 LEU C C 174.800 . 1 297 39 39 LEU CA C 51.930 . 1 298 39 39 LEU N N 120.600 . 1 299 40 40 GLY H H 7.862 . 1 300 40 40 GLY HA2 H 3.769 . 2 301 40 40 GLY HA3 H 4.235 . 2 302 40 40 GLY C C 171.700 . 1 303 40 40 GLY CA C 42.970 . 1 304 40 40 GLY N N 106.800 . 1 305 41 41 GLN H H 7.788 . 1 306 41 41 GLN HA H 4.480 . 1 307 41 41 GLN HB2 H 1.648 . 2 308 41 41 GLN HB3 H 1.648 . 2 309 41 41 GLN C C 171.400 . 1 310 41 41 GLN CA C 51.890 . 1 311 41 41 GLN CB C 28.080 . 1 312 41 41 GLN N N 118.400 . 1 313 42 42 ASN H H 8.665 . 1 314 42 42 ASN HA H 5.193 . 1 315 42 42 ASN CA C 48.620 . 1 316 42 42 ASN N N 116.300 . 1 317 43 43 PRO HA H 4.735 . 1 318 43 43 PRO HB2 H 1.930 . 2 319 43 43 PRO HB3 H 2.219 . 2 320 43 43 PRO C C 175.100 . 1 321 43 43 PRO CA C 59.780 . 1 322 43 43 PRO CB C 29.390 . 1 323 44 44 THR H H 8.702 . 1 324 44 44 THR HA H 4.707 . 1 325 44 44 THR HB H 4.431 . 1 326 44 44 THR C C 172.600 . 1 327 44 44 THR CA C 57.830 . 1 328 44 44 THR CB C 68.490 . 1 329 44 44 THR N N 112.900 . 1 330 45 45 GLU H H 8.789 . 1 331 45 45 GLU HA H 3.975 . 1 332 45 45 GLU HB2 H 2.031 . 2 333 45 45 GLU HB3 H 2.031 . 2 334 45 45 GLU C C 176.300 . 1 335 45 45 GLU CA C 57.460 . 1 336 45 45 GLU CB C 26.420 . 1 337 45 45 GLU N N 120.800 . 1 338 46 46 ALA H H 8.241 . 1 339 46 46 ALA HA H 4.089 . 1 340 46 46 ALA HB H 1.382 . 1 341 46 46 ALA C C 177.700 . 1 342 46 46 ALA CA C 52.410 . 1 343 46 46 ALA CB C 15.650 . 1 344 46 46 ALA N N 120.700 . 1 345 47 47 GLU H H 7.682 . 1 346 47 47 GLU HA H 4.002 . 1 347 47 47 GLU HB2 H 1.872 . 2 348 47 47 GLU HB3 H 2.327 . 2 349 47 47 GLU C C 177.500 . 1 350 47 47 GLU CA C 56.410 . 1 351 47 47 GLU CB C 27.060 . 1 352 47 47 GLU N N 118.900 . 1 353 48 48 LEU H H 8.169 . 1 354 48 48 LEU HA H 4.061 . 1 355 48 48 LEU C C 175.900 . 1 356 48 48 LEU CA C 55.270 . 1 357 48 48 LEU CB C 39.740 . 1 358 48 48 LEU N N 120.600 . 1 359 49 49 GLN H H 8.179 . 1 360 49 49 GLN HA H 3.827 . 1 361 49 49 GLN HB2 H 2.158 . 2 362 49 49 GLN HB3 H 2.158 . 2 363 49 49 GLN C C 175.900 . 1 364 49 49 GLN CA C 55.970 . 1 365 49 49 GLN CB C 25.520 . 1 366 49 49 GLN N N 118.200 . 1 367 50 50 ASP H H 8.037 . 1 368 50 50 ASP HA H 4.383 . 1 369 50 50 ASP C C 175.900 . 1 370 50 50 ASP CA C 54.950 . 1 371 50 50 ASP CB C 37.790 . 1 372 50 50 ASP N N 119.900 . 1 373 51 51 MET H H 7.855 . 1 374 51 51 MET HA H 4.028 . 1 375 51 51 MET HB2 H 1.969 . 2 376 51 51 MET HB3 H 1.969 . 2 377 51 51 MET HE H 1.978 . 1 378 51 51 MET C C 176.200 . 1 379 51 51 MET CA C 56.710 . 1 380 51 51 MET CB C 30.570 . 1 381 51 51 MET CE C 14.570 . 1 382 51 51 MET N N 119.300 . 1 383 52 52 ILE H H 7.701 . 1 384 52 52 ILE HA H 3.489 . 1 385 52 52 ILE HB H 1.931 . 1 386 52 52 ILE HG2 H 0.676 . 1 387 52 52 ILE HD1 H 0.717 . 1 388 52 52 ILE C C 175.100 . 1 389 52 52 ILE CA C 62.220 . 1 390 52 52 ILE CB C 39.330 . 1 391 52 52 ILE CG2 C 13.550 . 1 392 52 52 ILE CD1 C 10.490 . 1 393 52 52 ILE N N 118.200 . 1 394 53 53 ASN H H 8.529 . 1 395 53 53 ASN HA H 4.361 . 1 396 53 53 ASN HB2 H 2.928 . 2 397 53 53 ASN HB3 H 2.928 . 2 398 53 53 ASN C C 174.800 . 1 399 53 53 ASN CA C 53.290 . 1 400 53 53 ASN CB C 35.440 . 1 401 53 53 ASN N N 117.700 . 1 402 54 54 GLU H H 7.573 . 1 403 54 54 GLU HA H 4.021 . 1 404 54 54 GLU HB2 H 2.076 . 2 405 54 54 GLU HB3 H 2.076 . 2 406 54 54 GLU C C 175.000 . 1 407 54 54 GLU CA C 56.240 . 1 408 54 54 GLU CB C 27.830 . 1 409 54 54 GLU N N 116.400 . 1 410 55 55 VAL H H 7.204 . 1 411 55 55 VAL HA H 4.446 . 1 412 55 55 VAL HB H 2.388 . 1 413 55 55 VAL HG1 H 0.888 . 2 414 55 55 VAL HG2 H 0.888 . 2 415 55 55 VAL C C 173.100 . 1 416 55 55 VAL CA C 58.090 . 1 417 55 55 VAL CG1 C 16.890 . 2 418 55 55 VAL N N 108.400 . 1 419 56 56 ASP H H 7.649 . 1 420 56 56 ASP HA H 4.638 . 1 421 56 56 ASP HB2 H 2.568 . 2 422 56 56 ASP HB3 H 2.742 . 2 423 56 56 ASP CA C 51.050 . 1 424 56 56 ASP CB C 37.480 . 1 425 56 56 ASP N N 126.900 . 1 426 57 57 ALA H H 8.458 . 1 427 57 57 ALA HA H 4.182 . 1 428 57 57 ALA HB H 1.509 . 1 429 57 57 ALA C C 176.000 . 1 430 57 57 ALA CA C 51.690 . 1 431 57 57 ALA CB C 16.900 . 1 432 57 57 ALA N N 131.900 . 1 433 58 58 ASP H H 8.125 . 1 434 58 58 ASP HA H 4.611 . 1 435 58 58 ASP HB2 H 2.665 . 2 436 58 58 ASP HB3 H 3.038 . 2 437 58 58 ASP C C 175.200 . 1 438 58 58 ASP CA C 50.040 . 1 439 58 58 ASP CB C 37.200 . 1 440 58 58 ASP N N 113.800 . 1 441 59 59 GLY H H 7.550 . 1 442 59 59 GLY HA2 H 3.853 . 2 443 59 59 GLY HA3 H 3.853 . 2 444 59 59 GLY C C 172.500 . 1 445 59 59 GLY CA C 44.660 . 1 446 59 59 GLY N N 108.400 . 1 447 60 60 ASN H H 8.356 . 1 448 60 60 ASN HA H 4.487 . 1 449 60 60 ASN HB2 H 2.432 . 2 450 60 60 ASN HB3 H 3.043 . 2 451 60 60 ASN C C 174.800 . 1 452 60 60 ASN CA C 51.180 . 1 453 60 60 ASN CB C 37.840 . 1 454 60 60 ASN N N 120.600 . 1 455 61 61 GLY H H 10.610 . 1 456 61 61 GLY HA2 H 3.668 . 2 457 61 61 GLY HA3 H 4.356 . 2 458 61 61 GLY C C 171.100 . 1 459 61 61 GLY CA C 42.830 . 1 460 61 61 GLY N N 113.300 . 1 461 62 62 THR H H 8.111 . 1 462 62 62 THR HA H 4.756 . 1 463 62 62 THR HB H 4.003 . 1 464 62 62 THR HG2 H 1.093 . 1 465 62 62 THR C C 170.500 . 1 466 62 62 THR CA C 57.050 . 1 467 62 62 THR CB C 69.100 . 1 468 62 62 THR CG2 C 19.840 . 1 469 62 62 THR N N 112.900 . 1 470 63 63 ILE H H 8.905 . 1 471 63 63 ILE HA H 5.152 . 1 472 63 63 ILE HB H 2.045 . 1 473 63 63 ILE HG2 H 1.202 . 1 474 63 63 ILE HD1 H 0.791 . 1 475 63 63 ILE C C 172.900 . 1 476 63 63 ILE CA C 57.360 . 1 477 63 63 ILE CB C 36.860 . 1 478 63 63 ILE CG2 C 15.830 . 1 479 63 63 ILE CD1 C 11.120 . 1 480 63 63 ILE N N 123.900 . 1 481 64 64 ASP H H 8.778 . 1 482 64 64 ASP HA H 5.342 . 1 483 64 64 ASP HB2 H 2.828 . 2 484 64 64 ASP HB3 H 3.092 . 2 485 64 64 ASP C C 173.700 . 1 486 64 64 ASP CA C 49.470 . 1 487 64 64 ASP CB C 39.650 . 1 488 64 64 ASP N N 128.200 . 1 489 65 65 PHE H H 8.903 . 1 490 65 65 PHE CA C 61.020 . 1 491 65 65 PHE N N 118.700 . 1 492 66 66 PRO C C 177.400 . 1 493 66 66 PRO CA C 63.960 . 1 494 66 66 PRO CB C 28.060 . 1 495 67 67 GLU H H 7.894 . 1 496 67 67 GLU C C 176.100 . 1 497 67 67 GLU CA C 56.070 . 1 498 67 67 GLU CB C 26.750 . 1 499 67 67 GLU N N 117.600 . 1 500 68 68 PHE H H 8.826 . 1 501 68 68 PHE C C 174.400 . 1 502 68 68 PHE CA C 58.610 . 1 503 68 68 PHE CB C 37.520 . 1 504 68 68 PHE N N 123.500 . 1 505 69 69 LEU H H 8.321 . 1 506 69 69 LEU HA H 3.334 . 1 507 69 69 LEU HB2 H 1.135 . 2 508 69 69 LEU HB3 H 1.540 . 2 509 69 69 LEU HD1 H 0.594 . 2 510 69 69 LEU C C 176.600 . 1 511 69 69 LEU CA C 55.350 . 1 512 69 69 LEU CB C 38.180 . 1 513 69 69 LEU CD1 C 23.010 . 2 514 69 69 LEU N N 119.000 . 1 515 70 70 THR H H 7.476 . 1 516 70 70 THR HA H 4.317 . 1 517 70 70 THR HB H 3.776 . 1 518 70 70 THR HG2 H 1.183 . 1 519 70 70 THR C C 173.400 . 1 520 70 70 THR CA C 63.720 . 1 521 70 70 THR CB C 65.630 . 1 522 70 70 THR CG2 C 19.540 . 1 523 70 70 THR N N 115.500 . 1 524 71 71 MET H H 7.774 . 1 525 71 71 MET HA H 3.758 . 1 526 71 71 MET HB2 H 1.953 . 2 527 71 71 MET HB3 H 1.953 . 2 528 71 71 MET HE H 1.745 . 1 529 71 71 MET C C 175.600 . 1 530 71 71 MET CA C 56.370 . 1 531 71 71 MET CB C 30.590 . 1 532 71 71 MET CE C 14.860 . 1 533 71 71 MET N N 121.700 . 1 534 72 72 MET H H 8.082 . 1 535 72 72 MET HA H 3.993 . 1 536 72 72 MET HE H 1.664 . 1 537 72 72 MET C C 175.900 . 1 538 72 72 MET CA C 53.200 . 1 539 72 72 MET CB C 28.520 . 1 540 72 72 MET CE C 15.090 . 1 541 72 72 MET N N 116.900 . 1 542 73 73 ALA H H 8.149 . 1 543 73 73 ALA HA H 4.074 . 1 544 73 73 ALA HB H 1.391 . 1 545 73 73 ALA C C 177.200 . 1 546 73 73 ALA CA C 51.970 . 1 547 73 73 ALA CB C 15.740 . 1 548 73 73 ALA N N 122.300 . 1 549 74 74 ARG H H 7.564 . 1 550 74 74 ARG C C 175.200 . 1 551 74 74 ARG CA C 55.560 . 1 552 74 74 ARG CB C 27.650 . 1 553 74 74 ARG N N 116.600 . 1 554 75 75 LYS H H 7.668 . 1 555 75 75 LYS HA H 4.195 . 1 556 75 75 LYS C C 175.100 . 1 557 75 75 LYS CA C 54.730 . 1 558 75 75 LYS N N 118.800 . 1 559 76 76 MET H H 7.861 . 1 560 76 76 MET HA H 4.331 . 1 561 76 76 MET HE H 2.086 . 1 562 76 76 MET C C 173.900 . 1 563 76 76 MET CA C 54.010 . 1 564 76 76 MET CE C 14.560 . 1 565 76 76 MET N N 118.300 . 1 566 77 77 LYS H H 7.797 . 1 567 77 77 LYS HA H 4.298 . 1 568 77 77 LYS HB2 H 1.869 . 2 569 77 77 LYS HB3 H 1.869 . 2 570 77 77 LYS C C 173.800 . 1 571 77 77 LYS CA C 54.070 . 1 572 77 77 LYS CB C 30.370 . 1 573 77 77 LYS N N 120.200 . 1 574 78 78 ASP H H 8.191 . 1 575 78 78 ASP HA H 4.673 . 1 576 78 78 ASP HB2 H 2.737 . 2 577 78 78 ASP HB3 H 2.737 . 2 578 78 78 ASP C C 173.900 . 1 579 78 78 ASP CA C 51.900 . 1 580 78 78 ASP CB C 38.510 . 1 581 78 78 ASP N N 121.400 . 1 582 79 79 THR H H 8.063 . 1 583 79 79 THR HA H 4.263 . 1 584 79 79 THR HG2 H 1.206 . 1 585 79 79 THR C C 171.900 . 1 586 79 79 THR CA C 59.510 . 1 587 79 79 THR CB C 67.090 . 1 588 79 79 THR CG2 C 19.080 . 1 589 79 79 THR N N 114.600 . 1 590 80 80 ASP H H 8.423 . 1 591 80 80 ASP HA H 4.712 . 1 592 80 80 ASP HB2 H 2.715 . 2 593 80 80 ASP HB3 H 2.715 . 2 594 80 80 ASP C C 173.900 . 1 595 80 80 ASP CA C 51.900 . 1 596 80 80 ASP CB C 38.670 . 1 597 80 80 ASP N N 123.100 . 1 598 81 81 SER H H 8.357 . 1 599 81 81 SER HA H 4.498 . 1 600 81 81 SER HB2 H 4.010 . 2 601 81 81 SER HB3 H 4.010 . 2 602 81 81 SER C C 172.700 . 1 603 81 81 SER CA C 56.360 . 1 604 81 81 SER CB C 61.310 . 1 605 81 81 SER N N 116.900 . 1 606 82 82 GLU H H 8.532 . 1 607 82 82 GLU HA H 4.128 . 1 608 82 82 GLU HB2 H 2.101 . 2 609 82 82 GLU HB3 H 2.101 . 2 610 82 82 GLU C C 175.300 . 1 611 82 82 GLU CA C 56.270 . 1 612 82 82 GLU CB C 26.750 . 1 613 82 82 GLU N N 122.800 . 1 614 83 83 GLU H H 8.365 . 1 615 83 83 GLU HA H 4.034 . 1 616 83 83 GLU HB2 H 2.068 . 2 617 83 83 GLU HB3 H 2.068 . 2 618 83 83 GLU C C 176.000 . 1 619 83 83 GLU CA C 57.070 . 1 620 83 83 GLU N N 119.400 . 1 621 84 84 GLU H H 8.073 . 1 622 84 84 GLU HA H 4.147 . 1 623 84 84 GLU HB2 H 2.150 . 2 624 84 84 GLU HB3 H 2.150 . 2 625 84 84 GLU C C 177.000 . 1 626 84 84 GLU CA C 56.670 . 1 627 84 84 GLU CB C 26.800 . 1 628 84 84 GLU N N 118.700 . 1 629 85 85 ILE H H 8.043 . 1 630 85 85 ILE HA H 3.994 . 1 631 85 85 ILE HB H 2.152 . 1 632 85 85 ILE HG2 H 1.102 . 1 633 85 85 ILE HD1 H 0.757 . 1 634 85 85 ILE C C 175.300 . 1 635 85 85 ILE CA C 62.130 . 1 636 85 85 ILE CB C 34.500 . 1 637 85 85 ILE CG2 C 16.540 . 1 638 85 85 ILE CD1 C 10.640 . 1 639 85 85 ILE N N 122.200 . 1 640 86 86 ARG H H 8.415 . 1 641 86 86 ARG C C 176.700 . 1 642 86 86 ARG CA C 57.360 . 1 643 86 86 ARG CB C 27.050 . 1 644 86 86 ARG N N 121.700 . 1 645 87 87 GLU H H 8.056 . 1 646 87 87 GLU HA H 4.109 . 1 647 87 87 GLU HB2 H 2.127 . 2 648 87 87 GLU HB3 H 2.127 . 2 649 87 87 GLU C C 175.900 . 1 650 87 87 GLU CA C 56.430 . 1 651 87 87 GLU CB C 26.550 . 1 652 87 87 GLU N N 118.600 . 1 653 88 88 ALA H H 7.934 . 1 654 88 88 ALA HA H 4.218 . 1 655 88 88 ALA HB H 1.782 . 1 656 88 88 ALA C C 176.600 . 1 657 88 88 ALA CA C 52.450 . 1 658 88 88 ALA CB C 15.300 . 1 659 88 88 ALA N N 122.000 . 1 660 89 89 PHE H H 8.537 . 1 661 89 89 PHE HA H 3.151 . 1 662 89 89 PHE C C 173.800 . 1 663 89 89 PHE CA C 59.500 . 1 664 89 89 PHE CB C 36.370 . 1 665 89 89 PHE N N 118.900 . 1 666 90 90 ARG H H 7.656 . 1 667 90 90 ARG HA H 3.864 . 1 668 90 90 ARG HB2 H 1.965 . 2 669 90 90 ARG HB3 H 1.965 . 2 670 90 90 ARG C C 175.500 . 1 671 90 90 ARG CA C 56.110 . 1 672 90 90 ARG CB C 27.650 . 1 673 90 90 ARG N N 115.600 . 1 674 91 91 VAL H H 7.496 . 1 675 91 91 VAL HA H 3.487 . 1 676 91 91 VAL HB H 2.132 . 1 677 91 91 VAL HG1 H 0.996 . 2 678 91 91 VAL HG2 H 0.996 . 2 679 91 91 VAL C C 174.700 . 1 680 91 91 VAL CA C 63.010 . 1 681 91 91 VAL CG1 C 20.030 . 2 682 91 91 VAL N N 118.300 . 1 683 92 92 PHE H H 7.460 . 1 684 92 92 PHE C C 174.300 . 1 685 92 92 PHE CA C 57.410 . 1 686 92 92 PHE CB C 37.620 . 1 687 92 92 PHE N N 116.300 . 1 688 93 93 ASP H H 7.821 . 1 689 93 93 ASP HA H 4.504 . 1 690 93 93 ASP HB2 H 2.259 . 2 691 93 93 ASP HB3 H 2.259 . 2 692 93 93 ASP C C 174.900 . 1 693 93 93 ASP CA C 49.540 . 1 694 93 93 ASP N N 116.900 . 1 695 94 94 LYS H H 7.689 . 1 696 94 94 LYS HA H 3.888 . 1 697 94 94 LYS HB2 H 1.835 . 2 698 94 94 LYS HB3 H 1.835 . 2 699 94 94 LYS C C 175.700 . 1 700 94 94 LYS CA C 56.410 . 1 701 94 94 LYS CB C 30.170 . 1 702 94 94 LYS N N 125.900 . 1 703 95 95 ASP H H 8.179 . 1 704 95 95 ASP HA H 4.554 . 1 705 95 95 ASP HB2 H 2.622 . 2 706 95 95 ASP HB3 H 3.074 . 2 707 95 95 ASP C C 175.100 . 1 708 95 95 ASP CA C 50.320 . 1 709 95 95 ASP CB C 36.990 . 1 710 95 95 ASP N N 114.000 . 1 711 96 96 GLY H H 7.765 . 1 712 96 96 GLY HA2 H 3.836 . 2 713 96 96 GLY HA3 H 3.836 . 2 714 96 96 GLY C C 172.500 . 1 715 96 96 GLY CA C 44.500 . 1 716 96 96 GLY N N 109.300 . 1 717 97 97 ASN H H 8.302 . 1 718 97 97 ASN HA H 4.644 . 1 719 97 97 ASN HB2 H 2.681 . 2 720 97 97 ASN HB3 H 3.353 . 2 721 97 97 ASN C C 173.400 . 1 722 97 97 ASN CA C 50.070 . 1 723 97 97 ASN CB C 35.520 . 1 724 97 97 ASN N N 119.600 . 1 725 98 98 GLY H H 10.620 . 1 726 98 98 GLY HA2 H 3.729 . 2 727 98 98 GLY C C 169.800 . 1 728 98 98 GLY CA C 42.510 . 1 729 98 98 GLY N N 113.000 . 1 730 99 99 TYR H H 7.597 . 1 731 99 99 TYR HA H 5.036 . 1 732 99 99 TYR HB2 H 2.495 . 2 733 99 99 TYR HB3 H 2.495 . 2 734 99 99 TYR C C 171.900 . 1 735 99 99 TYR CA C 53.390 . 1 736 99 99 TYR CB C 40.530 . 1 737 99 99 TYR N N 115.900 . 1 738 100 100 ILE H H 10.120 . 1 739 100 100 ILE HA H 4.779 . 1 740 100 100 ILE HB H 1.868 . 1 741 100 100 ILE HG2 H 0.941 . 1 742 100 100 ILE HD1 H 0.266 . 1 743 100 100 ILE C C 172.900 . 1 744 100 100 ILE CA C 57.660 . 1 745 100 100 ILE CB C 35.950 . 1 746 100 100 ILE CG2 C 15.340 . 1 747 100 100 ILE CD1 C 12.810 . 1 748 100 100 ILE N N 127.400 . 1 749 101 101 SER H H 8.944 . 1 750 101 101 SER C C 172.600 . 1 751 101 101 SER CA C 53.180 . 1 752 101 101 SER CB C 63.970 . 1 753 101 101 SER N N 123.800 . 1 754 102 102 ALA H H 9.178 . 1 755 102 102 ALA HA H 3.914 . 1 756 102 102 ALA HB H 1.463 . 1 757 102 102 ALA C C 176.700 . 1 758 102 102 ALA CA C 53.300 . 1 759 102 102 ALA CB C 15.450 . 1 760 102 102 ALA N N 122.900 . 1 761 103 103 ALA H H 8.205 . 1 762 103 103 ALA HB H 1.410 . 1 763 103 103 ALA C C 178.700 . 1 764 103 103 ALA CA C 52.550 . 1 765 103 103 ALA CB C 15.880 . 1 766 103 103 ALA N N 118.400 . 1 767 104 104 GLU H H 7.835 . 1 768 104 104 GLU C C 176.600 . 1 769 104 104 GLU CA C 56.640 . 1 770 104 104 GLU CB C 26.640 . 1 771 104 104 GLU N N 119.700 . 1 772 105 105 LEU H H 8.571 . 1 773 105 105 LEU HA H 4.099 . 1 774 105 105 LEU HB2 H 1.544 . 2 775 105 105 LEU HB3 H 1.544 . 2 776 105 105 LEU C C 175.800 . 1 777 105 105 LEU CA C 55.660 . 1 778 105 105 LEU CB C 34.563 . 1 779 105 105 LEU N N 121.000 . 1 780 106 106 ARG H H 8.522 . 1 781 106 106 ARG C C 176.000 . 1 782 106 106 ARG CA C 57.230 . 1 783 106 106 ARG N N 117.500 . 1 784 107 107 HIS H H 7.889 . 1 785 107 107 HIS HA H 4.286 . 1 786 107 107 HIS HB2 H 3.279 . 2 787 107 107 HIS HB3 H 3.279 . 2 788 107 107 HIS C C 174.900 . 1 789 107 107 HIS CA C 57.090 . 1 790 107 107 HIS N N 119.000 . 1 791 108 108 VAL H H 7.958 . 1 792 108 108 VAL HA H 3.485 . 1 793 108 108 VAL HB H 1.970 . 1 794 108 108 VAL HG1 H 0.810 . 2 795 108 108 VAL HG2 H 0.810 . 2 796 108 108 VAL C C 175.400 . 1 797 108 108 VAL CA C 63.520 . 1 798 108 108 VAL CB C 29.200 . 1 799 108 108 VAL CG1 C 20.030 . 2 800 108 108 VAL N N 118.900 . 1 801 109 109 MET H H 8.247 . 1 802 109 109 MET HA H 4.331 . 1 803 109 109 MET HE H 2.018 . 1 804 109 109 MET C C 176.000 . 1 805 109 109 MET CA C 54.910 . 1 806 109 109 MET CB C 28.750 . 1 807 109 109 MET CE C 15.060 . 1 808 109 109 MET N N 116.400 . 1 809 110 110 THR H H 8.125 . 1 810 110 110 THR HA H 4.152 . 1 811 110 110 THR HB H 4.268 . 1 812 110 110 THR HG2 H 1.222 . 1 813 110 110 THR C C 175.000 . 1 814 110 110 THR CA C 63.270 . 1 815 110 110 THR CB C 66.230 . 1 816 110 110 THR CG2 C 18.890 . 1 817 110 110 THR N N 114.900 . 1 818 111 111 ASN H H 7.867 . 1 819 111 111 ASN HA H 4.437 . 1 820 111 111 ASN C C 173.700 . 1 821 111 111 ASN CA C 53.070 . 1 822 111 111 ASN CB C 35.820 . 1 823 111 111 ASN N N 122.200 . 1 824 112 112 LEU H H 7.850 . 1 825 112 112 LEU HA H 4.333 . 1 826 112 112 LEU HB2 H 1.774 . 2 827 112 112 LEU HB3 H 1.774 . 2 828 112 112 LEU C C 174.700 . 1 829 112 112 LEU CA C 52.760 . 1 830 112 112 LEU CB C 39.450 . 1 831 112 112 LEU N N 119.100 . 1 832 113 113 GLY H H 7.830 . 1 833 113 113 GLY HA2 H 3.729 . 2 834 113 113 GLY HA3 H 4.226 . 2 835 113 113 GLY C C 171.700 . 1 836 113 113 GLY CA C 42.790 . 1 837 113 113 GLY N N 106.800 . 1 838 114 114 GLU H H 7.914 . 1 839 114 114 GLU HA H 4.400 . 1 840 114 114 GLU HB2 H 1.722 . 2 841 114 114 GLU HB3 H 1.940 . 2 842 114 114 GLU C C 172.800 . 1 843 114 114 GLU CA C 52.670 . 1 844 114 114 GLU CB C 27.960 . 1 845 114 114 GLU N N 120.600 . 1 846 115 115 LYS H H 8.505 . 1 847 115 115 LYS HA H 4.357 . 1 848 115 115 LYS HB2 H 1.731 . 2 849 115 115 LYS HB3 H 1.731 . 2 850 115 115 LYS C C 173.000 . 1 851 115 115 LYS CA C 53.020 . 1 852 115 115 LYS CB C 29.410 . 1 853 115 115 LYS N N 124.000 . 1 854 116 116 LEU H H 8.076 . 1 855 116 116 LEU HA H 4.759 . 1 856 116 116 LEU HB2 H 1.488 . 2 857 116 116 LEU HB3 H 1.488 . 2 858 116 116 LEU C C 175.300 . 1 859 116 116 LEU CA C 51.420 . 1 860 116 116 LEU CB C 42.110 . 1 861 116 116 LEU N N 125.000 . 1 862 117 117 THR H H 9.116 . 1 863 117 117 THR HA H 4.453 . 1 864 117 117 THR HB H 4.716 . 1 865 117 117 THR HG2 H 1.320 . 1 866 117 117 THR C C 172.800 . 1 867 117 117 THR CA C 57.970 . 1 868 117 117 THR CB C 68.610 . 1 869 117 117 THR CG2 C 19.160 . 1 870 117 117 THR N N 114.500 . 1 871 118 118 ASP H H 8.847 . 1 872 118 118 ASP HA H 4.196 . 1 873 118 118 ASP HB2 H 2.566 . 2 874 118 118 ASP HB3 H 2.716 . 2 875 118 118 ASP C C 175.900 . 1 876 118 118 ASP CA C 55.360 . 1 877 118 118 ASP CB C 37.110 . 1 878 118 118 ASP N N 121.000 . 1 879 119 119 GLU H H 8.626 . 1 880 119 119 GLU HA H 4.070 . 1 881 119 119 GLU HB2 H 1.975 . 2 882 119 119 GLU HB3 H 1.975 . 2 883 119 119 GLU C C 176.500 . 1 884 119 119 GLU CA C 57.280 . 1 885 119 119 GLU CB C 26.430 . 1 886 119 119 GLU N N 119.100 . 1 887 120 120 GLU H H 7.724 . 1 888 120 120 GLU HA H 3.990 . 1 889 120 120 GLU HB2 H 1.937 . 2 890 120 120 GLU HB3 H 2.376 . 2 891 120 120 GLU C C 177.400 . 1 892 120 120 GLU CA C 56.590 . 1 893 120 120 GLU CB C 27.790 . 1 894 120 120 GLU N N 120.500 . 1 895 121 121 VAL H H 8.062 . 1 896 121 121 VAL HA H 3.587 . 1 897 121 121 VAL HB H 2.186 . 1 898 121 121 VAL HG1 H 0.946 . 2 899 121 121 VAL HG2 H 0.946 . 2 900 121 121 VAL C C 174.600 . 1 901 121 121 VAL CA C 64.310 . 1 902 121 121 VAL CB C 28.380 . 1 903 121 121 VAL CG1 C 21.340 . 2 904 121 121 VAL N N 121.100 . 1 905 122 122 ASP H H 8.007 . 1 906 122 122 ASP HA H 4.309 . 1 907 122 122 ASP HB2 H 2.587 . 2 908 122 122 ASP HB3 H 2.718 . 2 909 122 122 ASP C C 176.500 . 1 910 122 122 ASP CA C 55.000 . 1 911 122 122 ASP CB C 37.900 . 1 912 122 122 ASP N N 119.600 . 1 913 123 123 GLU H H 7.967 . 1 914 123 123 GLU HA H 3.998 . 1 915 123 123 GLU C C 175.400 . 1 916 123 123 GLU CA C 56.660 . 1 917 123 123 GLU CB C 26.790 . 1 918 123 123 GLU N N 119.300 . 1 919 124 124 MET H H 7.789 . 1 920 124 124 MET HA H 4.033 . 1 921 124 124 MET HB2 H 2.036 . 2 922 124 124 MET HB3 H 2.264 . 2 923 124 124 MET HE H 1.832 . 1 924 124 124 MET C C 176.500 . 1 925 124 124 MET CA C 56.970 . 1 926 124 124 MET CB C 30.470 . 1 927 124 124 MET CE C 14.610 . 1 928 124 124 MET N N 119.600 . 1 929 125 125 ILE H H 7.940 . 1 930 125 125 ILE HA H 3.499 . 1 931 125 125 ILE HG2 H 0.718 . 1 932 125 125 ILE HD1 H 0.710 . 1 933 125 125 ILE C C 174.600 . 1 934 125 125 ILE CA C 61.190 . 1 935 125 125 ILE CB C 33.510 . 1 936 125 125 ILE CG2 C 13.810 . 1 937 125 125 ILE CD1 C 8.482 . 1 938 125 125 ILE N N 118.500 . 1 939 126 126 ARG H H 8.168 . 1 940 126 126 ARG HA H 4.008 . 1 941 126 126 ARG HB2 H 1.898 . 2 942 126 126 ARG HB3 H 1.898 . 2 943 126 126 ARG C C 176.800 . 1 944 126 126 ARG CA C 57.100 . 1 945 126 126 ARG CB C 27.570 . 1 946 126 126 ARG N N 118.300 . 1 947 127 127 GLU H H 7.918 . 1 948 127 127 GLU HA H 3.983 . 1 949 127 127 GLU HB2 H 2.039 . 2 950 127 127 GLU HB3 H 2.039 . 2 951 127 127 GLU C C 174.700 . 1 952 127 127 GLU CA C 55.880 . 1 953 127 127 GLU CB C 26.940 . 1 954 127 127 GLU N N 116.300 . 1 955 128 128 ALA H H 7.354 . 1 956 128 128 ALA HA H 4.418 . 1 957 128 128 ALA HB H 1.417 . 1 958 128 128 ALA CA C 49.510 . 1 959 128 128 ALA CB C 18.740 . 1 960 128 128 ALA N N 119.100 . 1 961 129 129 ASP H H 7.871 . 1 962 129 129 ASP HA H 4.502 . 1 963 129 129 ASP HB2 H 2.485 . 2 964 129 129 ASP HB3 H 2.849 . 2 965 129 129 ASP C C 173.400 . 1 966 129 129 ASP CA C 51.410 . 1 967 129 129 ASP CB C 37.700 . 1 968 129 129 ASP N N 117.400 . 1 969 130 130 ILE H H 8.384 . 1 970 130 130 ILE HA H 3.917 . 1 971 130 130 ILE HB H 1.990 . 1 972 130 130 ILE HG2 H 0.927 . 1 973 130 130 ILE HD1 H 0.877 . 1 974 130 130 ILE C C 175.300 . 1 975 130 130 ILE CA C 60.710 . 1 976 130 130 ILE CB C 35.810 . 1 977 130 130 ILE CG2 C 14.890 . 1 978 130 130 ILE N N 128.000 . 1 979 131 131 ASP H H 8.281 . 1 980 131 131 ASP HA H 4.550 . 1 981 131 131 ASP HB2 H 2.636 . 2 982 131 131 ASP HB3 H 3.095 . 2 983 131 131 ASP C C 175.600 . 1 984 131 131 ASP CA C 51.220 . 1 985 131 131 ASP CB C 37.230 . 1 986 131 131 ASP N N 116.800 . 1 987 132 132 GLY H H 7.575 . 1 988 132 132 GLY HA2 H 3.968 . 2 989 132 132 GLY HA3 H 3.968 . 2 990 132 132 GLY C C 172.600 . 1 991 132 132 GLY CA C 44.850 . 1 992 132 132 GLY N N 108.500 . 1 993 133 133 ASP H H 8.326 . 1 994 133 133 ASP HA H 4.464 . 1 995 133 133 ASP HB2 H 2.493 . 2 996 133 133 ASP HB3 H 2.931 . 2 997 133 133 ASP C C 174.900 . 1 998 133 133 ASP CA C 50.990 . 1 999 133 133 ASP CB C 37.590 . 1 1000 133 133 ASP N N 120.800 . 1 1001 134 134 GLY H H 10.310 . 1 1002 134 134 GLY HA2 H 3.415 . 2 1003 134 134 GLY HA3 H 4.037 . 2 1004 134 134 GLY C C 170.200 . 1 1005 134 134 GLY CA C 43.050 . 1 1006 134 134 GLY N N 112.900 . 1 1007 135 135 GLN H H 7.937 . 1 1008 135 135 GLN HA H 4.860 . 1 1009 135 135 GLN HB2 H 1.950 . 2 1010 135 135 GLN HB3 H 1.950 . 2 1011 135 135 GLN C C 172.100 . 1 1012 135 135 GLN CA C 50.530 . 1 1013 135 135 GLN CB C 30.020 . 1 1014 135 135 GLN N N 115.400 . 1 1015 136 136 VAL H H 9.112 . 1 1016 136 136 VAL HA H 5.190 . 1 1017 136 136 VAL HB H 2.303 . 1 1018 136 136 VAL HG1 H 0.912 . 2 1019 136 136 VAL HG2 H 0.912 . 2 1020 136 136 VAL C C 173.200 . 1 1021 136 136 VAL CA C 59.100 . 1 1022 136 136 VAL CB C 30.920 . 1 1023 136 136 VAL CG1 C 19.880 . 2 1024 136 136 VAL N N 125.500 . 1 1025 137 137 ASN H H 9.509 . 1 1026 137 137 ASN HA H 5.232 . 1 1027 137 137 ASN HB2 H 3.260 . 2 1028 137 137 ASN HB3 H 3.260 . 2 1029 137 137 ASN C C 172.200 . 1 1030 137 137 ASN CA C 48.460 . 1 1031 137 137 ASN CB C 35.690 . 1 1032 137 137 ASN N N 129.000 . 1 1033 138 138 TYR H H 8.420 . 1 1034 138 138 TYR HA H 3.424 . 1 1035 138 138 TYR C C 173.500 . 1 1036 138 138 TYR CA C 60.030 . 1 1037 138 138 TYR N N 118.400 . 1 1038 139 139 GLU H H 8.066 . 1 1039 139 139 GLU HA H 3.641 . 1 1040 139 139 GLU HB2 H 1.994 . 2 1041 139 139 GLU HB3 H 1.994 . 2 1042 139 139 GLU C C 177.900 . 1 1043 139 139 GLU CA C 57.740 . 1 1044 139 139 GLU CB C 26.390 . 1 1045 139 139 GLU N N 118.400 . 1 1046 140 140 GLU H H 8.728 . 1 1047 140 140 GLU C C 176.700 . 1 1048 140 140 GLU CA C 55.900 . 1 1049 140 140 GLU CB C 27.200 . 1 1050 140 140 GLU N N 119.900 . 1 1051 141 141 PHE H H 8.920 . 1 1052 141 141 PHE HA H 3.984 . 1 1053 141 141 PHE HB2 H 3.355 . 2 1054 141 141 PHE HB3 H 3.355 . 2 1055 141 141 PHE C C 174.200 . 1 1056 141 141 PHE CA C 58.960 . 1 1057 141 141 PHE CB C 37.270 . 1 1058 141 141 PHE N N 124.600 . 1 1059 142 142 VAL H H 8.536 . 1 1060 142 142 VAL HA H 3.121 . 1 1061 142 142 VAL HB H 1.889 . 1 1062 142 142 VAL HG1 H 0.504 . 2 1063 142 142 VAL HG2 H 0.504 . 2 1064 142 142 VAL C C 176.900 . 1 1065 142 142 VAL CA C 64.430 . 1 1066 142 142 VAL CG1 C 20.390 . 2 1067 142 142 VAL N N 119.300 . 1 1068 143 143 GLN H H 7.404 . 1 1069 143 143 GLN HA H 3.851 . 1 1070 143 143 GLN HB2 H 2.125 . 2 1071 143 143 GLN HB3 H 2.125 . 2 1072 143 143 GLN C C 175.300 . 1 1073 143 143 GLN CA C 56.260 . 1 1074 143 143 GLN N N 118.200 . 1 1075 144 144 MET H H 7.878 . 1 1076 144 144 MET HA H 4.107 . 1 1077 144 144 MET HB2 H 2.054 . 2 1078 144 144 MET HB3 H 2.054 . 2 1079 144 144 MET HE H 1.960 . 1 1080 144 144 MET C C 175.400 . 1 1081 144 144 MET CA C 55.500 . 1 1082 144 144 MET CB C 30.460 . 1 1083 144 144 MET CE C 14.880 . 1 1084 144 144 MET N N 119.400 . 1 1085 145 145 MET H H 7.852 . 1 1086 145 145 MET HA H 4.281 . 1 1087 145 145 MET HE H 1.786 . 1 1088 145 145 MET C C 174.900 . 1 1089 145 145 MET CA C 52.740 . 1 1090 145 145 MET CE C 14.590 . 1 1091 145 145 MET N N 115.000 . 1 1092 146 146 THR H H 7.571 . 1 1093 146 146 THR HA H 4.306 . 1 1094 146 146 THR HB H 4.232 . 1 1095 146 146 THR HG2 H 1.153 . 1 1096 146 146 THR C C 171.600 . 1 1097 146 146 THR CA C 59.830 . 1 1098 146 146 THR CB C 67.510 . 1 1099 146 146 THR CG2 C 18.790 . 1 1100 146 146 THR N N 111.100 . 1 1101 147 147 ALA H H 7.723 . 1 1102 147 147 ALA HA H 4.300 . 1 1103 147 147 ALA HB H 1.386 . 1 1104 147 147 ALA C C 174.000 . 1 1105 147 147 ALA CA C 50.190 . 1 1106 147 147 ALA CB C 16.480 . 1 1107 147 147 ALA N N 126.300 . 1 1108 148 148 LYS H H 7.701 . 1 1109 148 148 LYS CA C 54.960 . 1 1110 148 148 LYS N N 125.500 . 1 stop_ save_ save_CaM-CAP-assignments _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $CaM stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name calmodulin _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 HA H 4.189 0.101 1 2 1 1 ALA HB H 1.358 0.008 1 3 1 1 ALA C C 174.387 0.000 1 4 1 1 ALA CA C 50.184 0.034 1 5 1 1 ALA CB C 16.802 0.463 1 6 2 2 ASP H H 8.289 0.003 1 7 2 2 ASP HA H 4.602 0.017 1 8 2 2 ASP HB2 H 2.490 0.008 2 9 2 2 ASP HB3 H 2.643 0.000 2 10 2 2 ASP C C 172.947 0.000 1 11 2 2 ASP CA C 52.081 0.044 1 12 2 2 ASP CB C 38.631 0.000 1 13 2 2 ASP N N 118.481 0.024 1 14 3 3 GLN H H 8.297 0.004 1 15 3 3 GLN HA H 4.339 0.009 1 16 3 3 GLN HB2 H 2.010 0.000 2 17 3 3 GLN HB3 H 2.010 0.000 2 18 3 3 GLN C C 172.999 0.000 1 19 3 3 GLN CA C 52.894 0.036 1 20 3 3 GLN CB C 27.114 0.000 1 21 3 3 GLN N N 119.760 0.019 1 22 4 4 LEU H H 8.250 0.003 1 23 4 4 LEU HA H 4.655 0.002 1 24 4 4 LEU HB2 H 1.468 0.001 2 25 4 4 LEU HB3 H 1.689 0.011 2 26 4 4 LEU HD1 H 0.909 0.011 1 27 4 4 LEU C C 175.001 0.000 1 28 4 4 LEU CA C 51.748 0.023 1 29 4 4 LEU CB C 40.837 0.000 1 30 4 4 LEU CD1 C 24.896 0.258 1 31 4 4 LEU N N 123.058 0.028 1 32 5 5 THR H H 8.704 0.005 1 33 5 5 THR HA H 4.724 0.016 1 34 5 5 THR HB H 4.415 0.001 1 35 5 5 THR C C 172.741 0.000 1 36 5 5 THR CA C 57.825 0.068 1 37 5 5 THR CB C 68.480 0.000 1 38 5 5 THR N N 112.938 0.038 1 39 6 6 GLU H H 8.971 0.003 1 40 6 6 GLU HA H 3.903 0.000 1 41 6 6 GLU HB2 H 1.993 0.000 2 42 6 6 GLU HB3 H 1.993 0.000 2 43 6 6 GLU C C 176.801 0.000 1 44 6 6 GLU CA C 57.474 0.031 1 45 6 6 GLU CB C 26.338 0.000 1 46 6 6 GLU N N 120.421 0.030 1 47 7 7 GLU H H 8.595 0.009 1 48 7 7 GLU HA H 4.017 0.000 1 49 7 7 GLU HB2 H 2.010 0.002 2 50 7 7 GLU HB3 H 2.010 0.002 2 51 7 7 GLU C C 176.256 0.000 1 52 7 7 GLU CA C 57.266 0.061 1 53 7 7 GLU CB C 26.331 0.000 1 54 7 7 GLU N N 119.505 0.099 1 55 8 8 GLN H H 7.688 0.010 1 56 8 8 GLN HA H 3.804 0.000 1 57 8 8 GLN HB2 H 1.643 0.002 2 58 8 8 GLN HB3 H 1.643 0.002 2 59 8 8 GLN C C 175.604 0.000 1 60 8 8 GLN CA C 56.042 0.011 1 61 8 8 GLN CB C 26.520 0.000 1 62 8 8 GLN N N 119.912 0.192 1 63 9 9 ILE H H 8.364 0.006 1 64 9 9 ILE HA H 3.654 0.016 1 65 9 9 ILE HB H 1.902 0.032 1 66 9 9 ILE HG2 H 1.070 0.027 1 67 9 9 ILE HD1 H 0.828 0.023 1 68 9 9 ILE C C 175.070 0.000 1 69 9 9 ILE CA C 63.878 0.272 1 70 9 9 ILE CB C 35.082 0.000 1 71 9 9 ILE CG2 C 15.522 0.350 1 72 9 9 ILE CD1 C 10.645 0.195 1 73 9 9 ILE N N 119.411 0.037 1 74 10 10 ALA H H 7.937 0.004 1 75 10 10 ALA HA H 4.011 0.001 1 76 10 10 ALA HB H 1.467 0.040 1 77 10 10 ALA C C 178.795 0.000 1 78 10 10 ALA CA C 52.607 0.115 1 79 10 10 ALA CB C 15.819 0.323 1 80 10 10 ALA N N 121.040 0.056 1 81 11 11 GLU H H 7.893 0.004 1 82 11 11 GLU HA H 4.138 0.018 1 83 11 11 GLU HB2 H 2.028 0.000 2 84 11 11 GLU HB3 H 2.028 0.000 2 85 11 11 GLU C C 177.614 0.000 1 86 11 11 GLU CA C 56.711 0.094 1 87 11 11 GLU CB C 26.338 0.000 1 88 11 11 GLU N N 120.533 0.023 1 89 12 12 PHE H H 8.599 0.004 1 90 12 12 PHE HA H 4.917 0.000 1 91 12 12 PHE HB2 H 3.448 0.000 2 92 12 12 PHE HB3 H 3.448 0.000 2 93 12 12 PHE HD1 H 8.993 0.000 3 94 12 12 PHE HD2 H 8.993 0.000 3 95 12 12 PHE C C 176.154 0.000 1 96 12 12 PHE CA C 56.849 0.027 1 97 12 12 PHE CB C 35.011 0.000 1 98 12 12 PHE N N 119.511 0.106 1 99 13 13 LYS H H 9.093 0.005 1 100 13 13 LYS HA H 3.942 0.003 1 101 13 13 LYS HB2 H 1.849 0.014 2 102 13 13 LYS HB3 H 1.849 0.014 2 103 13 13 LYS C C 176.650 0.000 1 104 13 13 LYS CA C 57.356 0.043 1 105 13 13 LYS CB C 29.044 0.000 1 106 13 13 LYS N N 123.521 0.031 1 107 14 14 GLU H H 7.724 0.007 1 108 14 14 GLU HA H 4.083 0.002 1 109 14 14 GLU HB2 H 2.128 0.001 2 110 14 14 GLU HB3 H 2.128 0.001 2 111 14 14 GLU C C 177.020 0.000 1 112 14 14 GLU CA C 56.631 0.066 1 113 14 14 GLU CB C 26.328 0.000 1 114 14 14 GLU N N 120.423 0.030 1 115 15 15 ALA H H 7.925 0.004 1 116 15 15 ALA HA H 4.220 0.057 1 117 15 15 ALA HB H 1.859 0.044 1 118 15 15 ALA C C 175.882 0.000 1 119 15 15 ALA CA C 52.623 0.041 1 120 15 15 ALA CB C 15.864 0.485 1 121 15 15 ALA N N 122.019 0.090 1 122 16 16 PHE H H 8.705 0.005 1 123 16 16 PHE HA H 3.209 0.001 1 124 16 16 PHE C C 175.015 0.000 1 125 16 16 PHE CA C 59.326 0.063 1 126 16 16 PHE CB C 36.963 0.000 1 127 16 16 PHE N N 118.675 0.057 1 128 17 17 SER H H 7.969 0.008 1 129 17 17 SER HA H 4.033 0.007 1 130 17 17 SER C C 171.982 0.000 1 131 17 17 SER CA C 58.870 0.068 1 132 17 17 SER CB C 60.704 0.000 1 133 17 17 SER N N 113.001 0.032 1 134 18 18 LEU H H 7.412 0.003 1 135 18 18 LEU HA H 3.974 0.000 1 136 18 18 LEU C C 174.827 0.000 1 137 18 18 LEU CA C 54.396 0.028 1 138 18 18 LEU CB C 38.637 0.000 1 139 18 18 LEU N N 120.490 0.092 1 140 19 19 PHE H H 7.137 0.010 1 141 19 19 PHE HA H 4.167 0.037 1 142 19 19 PHE HB3 H 2.653 0.006 2 143 19 19 PHE HD1 H 7.146 0.000 3 144 19 19 PHE HD2 H 7.146 0.000 3 145 19 19 PHE C C 173.756 0.000 1 146 19 19 PHE CA C 56.124 0.051 1 147 19 19 PHE CB C 38.409 0.000 1 148 19 19 PHE N N 114.298 0.078 1 149 20 20 ASP H H 7.677 0.006 1 150 20 20 ASP HB2 H 1.466 0.027 2 151 20 20 ASP HB3 H 2.298 0.001 2 152 20 20 ASP C C 174.477 0.000 1 153 20 20 ASP CA C 49.611 0.056 1 154 20 20 ASP CB C 36.437 0.000 1 155 20 20 ASP N N 116.796 0.057 1 156 21 21 LYS H H 7.587 0.014 1 157 21 21 LYS HA H 3.951 0.010 1 158 21 21 LYS HB2 H 1.821 0.028 2 159 21 21 LYS HB3 H 1.821 0.028 2 160 21 21 LYS C C 175.630 0.000 1 161 21 21 LYS CA C 55.481 0.071 1 162 21 21 LYS CB C 29.734 0.000 1 163 21 21 LYS N N 124.000 0.053 1 164 22 22 ASP H H 8.084 0.005 1 165 22 22 ASP HA H 4.559 0.021 1 166 22 22 ASP HB2 H 2.618 0.004 2 167 22 22 ASP HB3 H 3.050 0.000 2 168 22 22 ASP C C 175.088 0.000 1 169 22 22 ASP CA C 50.205 0.010 1 170 22 22 ASP CB C 36.875 0.000 1 171 22 22 ASP N N 114.050 0.049 1 172 23 23 GLY H H 7.666 0.002 1 173 23 23 GLY HA2 H 3.774 0.000 2 174 23 23 GLY HA3 H 3.904 0.000 2 175 23 23 GLY C C 172.315 0.000 1 176 23 23 GLY CA C 44.523 0.030 1 177 23 23 GLY N N 109.341 0.040 1 178 24 24 ASP H H 8.107 0.003 1 179 24 24 ASP HA H 4.512 0.000 1 180 24 24 ASP HB2 H 2.613 0.000 2 181 24 24 ASP HB3 H 3.273 0.000 2 182 24 24 ASP C C 174.180 0.000 1 183 24 24 ASP CA C 50.015 0.028 1 184 24 24 ASP CB C 34.903 0.000 1 185 24 24 ASP N N 118.729 0.096 1 186 25 25 GLY H H 10.550 0.008 1 187 25 25 GLY HA2 H 3.468 0.008 2 188 25 25 GLY HA3 H 4.200 0.015 2 189 25 25 GLY C C 170.596 0.000 1 190 25 25 GLY CA C 43.236 0.385 1 191 25 25 GLY N N 113.356 0.063 1 192 26 26 THR H H 7.632 0.004 1 193 26 26 THR HA H 5.305 0.080 1 194 26 26 THR HB H 3.732 0.045 1 195 26 26 THR HG2 H 1.036 0.031 1 196 26 26 THR C C 170.505 0.000 1 197 26 26 THR CA C 56.918 0.082 1 198 26 26 THR CB C 71.570 0.875 1 199 26 26 THR CG2 C 20.039 0.736 1 200 26 26 THR N N 108.614 0.027 1 201 27 27 ILE H H 9.886 0.004 1 202 27 27 ILE HA H 4.865 0.014 1 203 27 27 ILE HB H 1.978 0.033 1 204 27 27 ILE HG2 H 0.859 0.021 1 205 27 27 ILE HD1 H 0.241 0.008 1 206 27 27 ILE C C 173.464 0.000 1 207 27 27 ILE CA C 58.403 0.387 1 208 27 27 ILE CB C 37.551 0.427 1 209 27 27 ILE CG1 C 25.163 0.000 1 210 27 27 ILE CG2 C 15.546 0.278 1 211 27 27 ILE CD1 C 13.785 0.332 1 212 27 27 ILE N N 127.078 0.020 1 213 28 28 THR H H 8.364 0.007 1 214 28 28 THR HA H 4.806 0.015 1 215 28 28 THR HB H 3.658 0.000 1 216 28 28 THR C C 173.917 0.000 1 217 28 28 THR CA C 56.687 0.065 1 218 28 28 THR CB C 70.232 0.403 1 219 28 28 THR N N 116.498 0.035 1 220 29 29 THR H H 9.177 0.004 1 221 29 29 THR HA H 3.967 0.191 1 222 29 29 THR HB H 3.737 0.011 1 223 29 29 THR HG2 H 1.244 0.010 1 224 29 29 THR C C 174.644 0.000 1 225 29 29 THR CA C 63.759 0.026 1 226 29 29 THR CB C 64.708 0.418 1 227 29 29 THR CG2 C 21.326 0.372 1 228 29 29 THR N N 112.932 0.049 1 229 30 30 LYS H H 7.634 0.005 1 230 30 30 LYS HA H 4.054 0.055 1 231 30 30 LYS HB2 H 1.800 0.011 2 232 30 30 LYS HB3 H 1.800 0.011 2 233 30 30 LYS C C 177.303 0.000 1 234 30 30 LYS CA C 56.963 0.571 1 235 30 30 LYS CB C 29.790 0.000 1 236 30 30 LYS N N 121.089 0.083 1 237 31 31 GLU H H 7.709 0.008 1 238 31 31 GLU HA H 3.987 0.000 1 239 31 31 GLU C C 176.493 0.000 1 240 31 31 GLU CA C 56.932 0.020 1 241 31 31 GLU CB C 26.845 0.000 1 242 31 31 GLU N N 121.827 0.085 1 243 32 32 LEU H H 8.666 0.014 1 244 32 32 LEU HA H 4.122 0.000 1 245 32 32 LEU C C 176.235 0.000 1 246 32 32 LEU CA C 55.542 0.034 1 247 32 32 LEU CB C 39.665 0.000 1 248 32 32 LEU N N 120.365 0.027 1 249 33 33 GLY H H 8.737 0.004 1 250 33 33 GLY HA2 H 3.540 0.026 2 251 33 33 GLY HA3 H 3.951 0.010 2 252 33 33 GLY C C 172.407 0.000 1 253 33 33 GLY CA C 45.989 0.366 1 254 33 33 GLY N N 106.022 0.053 1 255 34 34 THR H H 7.956 0.007 1 256 34 34 THR HA H 3.890 0.000 1 257 34 34 THR HB H 4.362 0.000 1 258 34 34 THR HG2 H 1.257 0.001 1 259 34 34 THR C C 174.457 0.000 1 260 34 34 THR CA C 64.440 0.081 1 261 34 34 THR CB C 66.113 0.000 1 262 34 34 THR CG2 C 19.554 0.492 1 263 34 34 THR N N 118.518 0.123 1 264 35 35 VAL H H 7.689 0.005 1 265 35 35 VAL HA H 3.544 0.000 1 266 35 35 VAL HG1 H 0.675 0.022 2 267 35 35 VAL HG2 H 0.675 0.022 2 268 35 35 VAL C C 175.819 0.000 1 269 35 35 VAL CA C 64.101 0.028 1 270 35 35 VAL CB C 28.872 0.000 1 271 35 35 VAL CG1 C 20.950 0.452 1 272 35 35 VAL N N 122.469 0.062 1 273 36 36 MET H H 8.468 0.006 1 274 36 36 MET HA H 4.077 0.000 1 275 36 36 MET HB2 H 1.771 0.003 2 276 36 36 MET HB3 H 1.992 0.007 2 277 36 36 MET C C 176.537 0.000 1 278 36 36 MET CA C 56.264 0.059 1 279 36 36 MET CB C 28.506 0.000 1 280 36 36 MET N N 117.209 0.051 1 281 37 37 ARG H H 8.552 0.005 1 282 37 37 ARG HA H 4.763 0.000 1 283 37 37 ARG HB2 H 1.880 0.000 2 284 37 37 ARG HB3 H 1.880 0.000 2 285 37 37 ARG C C 178.871 0.000 1 286 37 37 ARG CA C 56.402 0.136 1 287 37 37 ARG CB C 27.311 0.000 1 288 37 37 ARG N N 118.938 0.104 1 289 38 38 SER H H 8.012 0.006 1 290 38 38 SER HA H 4.086 0.000 1 291 38 38 SER HB2 H 3.893 0.000 2 292 38 38 SER HB3 H 3.893 0.000 2 293 38 38 SER C C 172.195 0.000 1 294 38 38 SER CA C 59.390 0.087 1 295 38 38 SER CB C 60.052 0.000 1 296 38 38 SER N N 119.353 0.049 1 297 39 39 LEU H H 7.345 0.003 1 298 39 39 LEU HA H 4.349 0.000 1 299 39 39 LEU HB2 H 1.728 0.020 2 300 39 39 LEU HB3 H 1.728 0.020 2 301 39 39 LEU C C 174.492 0.000 1 302 39 39 LEU CA C 51.764 0.022 1 303 39 39 LEU CB C 39.181 0.000 1 304 39 39 LEU N N 119.335 0.053 1 305 40 40 GLY H H 7.830 0.014 1 306 40 40 GLY HA2 H 3.763 0.010 2 307 40 40 GLY HA3 H 4.213 0.012 2 308 40 40 GLY C C 171.724 0.000 1 309 40 40 GLY CA C 42.899 0.068 1 310 40 40 GLY N N 106.775 0.042 1 311 41 41 GLN H H 7.859 0.007 1 312 41 41 GLN HA H 4.418 0.000 1 313 41 41 GLN C C 171.516 0.000 1 314 41 41 GLN CA C 51.364 0.023 1 315 41 41 GLN CB C 27.641 0.000 1 316 41 41 GLN N N 118.070 0.041 1 317 42 42 ASN H H 8.665 0.004 1 318 42 42 ASN HA H 5.193 0.000 1 319 42 42 ASN CA C 48.702 0.000 1 320 42 42 ASN N N 116.261 0.040 1 321 43 43 PRO HA H 4.700 0.010 1 322 43 43 PRO HB2 H 1.967 0.005 2 323 43 43 PRO HB3 H 2.178 0.000 2 324 43 43 PRO CA C 59.745 0.021 1 325 43 43 PRO CB C 29.168 0.000 1 326 44 44 THR H H 8.720 0.004 1 327 44 44 THR HA H 4.671 0.011 1 328 44 44 THR HB H 4.390 0.028 1 329 44 44 THR C C 172.548 0.000 1 330 44 44 THR CA C 57.810 0.045 1 331 44 44 THR CB C 68.412 0.000 1 332 44 44 THR N N 112.907 0.056 1 333 45 45 GLU H H 8.775 0.004 1 334 45 45 GLU HA H 3.946 0.000 1 335 45 45 GLU HB2 H 1.998 0.005 2 336 45 45 GLU HB3 H 1.998 0.005 2 337 45 45 GLU C C 176.290 0.000 1 338 45 45 GLU CA C 57.349 0.036 1 339 45 45 GLU CB C 26.192 0.000 1 340 45 45 GLU N N 120.689 0.053 1 341 46 46 ALA H H 8.224 0.004 1 342 46 46 ALA HA H 4.067 0.018 1 343 46 46 ALA HB H 1.357 0.013 1 344 46 46 ALA C C 177.641 0.000 1 345 46 46 ALA CA C 52.390 0.032 1 346 46 46 ALA CB C 16.048 0.479 1 347 46 46 ALA N N 120.682 0.035 1 348 47 47 GLU H H 7.676 0.009 1 349 47 47 GLU HA H 3.979 0.008 1 350 47 47 GLU HB2 H 1.918 0.015 2 351 47 47 GLU HB3 H 2.266 0.018 2 352 47 47 GLU C C 177.412 0.000 1 353 47 47 GLU CA C 56.364 0.117 1 354 47 47 GLU CB C 27.182 0.000 1 355 47 47 GLU N N 118.917 0.108 1 356 48 48 LEU H H 8.101 0.012 1 357 48 48 LEU HA H 4.034 0.011 1 358 48 48 LEU C C 175.934 0.000 1 359 48 48 LEU CA C 55.266 0.041 1 360 48 48 LEU CB C 39.817 0.000 1 361 48 48 LEU N N 120.096 0.088 1 362 49 49 GLN H H 8.214 0.003 1 363 49 49 GLN HA H 3.773 0.000 1 364 49 49 GLN HB2 H 2.127 0.007 2 365 49 49 GLN HB3 H 2.127 0.007 2 366 49 49 GLN C C 175.770 0.000 1 367 49 49 GLN CA C 55.981 0.022 1 368 49 49 GLN CB C 25.515 0.000 1 369 49 49 GLN N N 118.212 0.046 1 370 50 50 ASP H H 8.072 0.007 1 371 50 50 ASP HA H 4.356 0.000 1 372 50 50 ASP C C 176.038 0.000 1 373 50 50 ASP CA C 54.914 0.091 1 374 50 50 ASP CB C 37.722 0.000 1 375 50 50 ASP N N 119.954 0.058 1 376 51 51 MET H H 7.794 0.009 1 377 51 51 MET HA H 3.975 0.000 1 378 51 51 MET HB2 H 2.093 0.004 2 379 51 51 MET HB3 H 2.093 0.004 2 380 51 51 MET HE H 1.980 0.033 1 381 51 51 MET C C 176.024 0.000 1 382 51 51 MET CA C 56.807 0.176 1 383 51 51 MET CB C 30.871 0.000 1 384 51 51 MET CE C 14.974 0.569 1 385 51 51 MET N N 119.192 0.062 1 386 52 52 ILE H H 7.641 0.012 1 387 52 52 ILE HA H 3.518 0.014 1 388 52 52 ILE HB H 1.946 0.016 1 389 52 52 ILE HG2 H 0.674 0.007 1 390 52 52 ILE HD1 H 0.675 0.046 1 391 52 52 ILE C C 175.466 0.000 1 392 52 52 ILE CA C 61.674 0.390 1 393 52 52 ILE CB C 34.649 0.350 1 394 52 52 ILE CG1 C 27.116 0.000 1 395 52 52 ILE CG2 C 14.527 0.346 1 396 52 52 ILE CD1 C 10.301 0.108 1 397 52 52 ILE N N 117.666 0.035 1 398 53 53 ASN H H 8.645 0.006 1 399 53 53 ASN HA H 4.372 0.013 1 400 53 53 ASN HB2 H 2.923 0.004 2 401 53 53 ASN HB3 H 2.923 0.004 2 402 53 53 ASN C C 174.727 0.000 1 403 53 53 ASN CA C 53.313 0.042 1 404 53 53 ASN CB C 35.340 0.000 1 405 53 53 ASN N N 117.963 0.038 1 406 54 54 GLU H H 7.525 0.006 1 407 54 54 GLU HA H 4.013 0.006 1 408 54 54 GLU HB2 H 2.082 0.000 2 409 54 54 GLU HB3 H 2.082 0.000 2 410 54 54 GLU C C 174.643 0.000 1 411 54 54 GLU CA C 56.117 0.029 1 412 54 54 GLU CB C 27.437 0.000 1 413 54 54 GLU N N 116.499 0.063 1 414 55 55 VAL H H 7.143 0.007 1 415 55 55 VAL HA H 4.262 0.000 1 416 55 55 VAL HB H 2.241 0.000 1 417 55 55 VAL HG1 H 0.907 0.019 1 418 55 55 VAL HG2 H 0.913 0.000 1 419 55 55 VAL C C 172.799 0.000 1 420 55 55 VAL CA C 58.349 0.078 1 421 55 55 VAL CB C 30.091 0.000 1 422 55 55 VAL CG1 C 16.889 0.000 1 423 55 55 VAL CG2 C 18.966 0.000 1 424 55 55 VAL N N 111.132 0.111 1 425 56 56 ASP H H 7.690 0.000 1 426 56 56 ASP HA H 4.492 0.009 1 427 56 56 ASP HB2 H 2.480 0.000 2 428 56 56 ASP HB3 H 2.716 0.000 2 429 56 56 ASP C C 173.351 0.000 1 430 56 56 ASP CA C 51.141 0.010 1 431 56 56 ASP CB C 37.634 0.000 1 432 56 56 ASP N N 121.386 0.107 1 433 57 57 ALA H H 8.238 0.009 1 434 57 57 ALA HA H 4.184 0.010 1 435 57 57 ALA HB H 1.505 0.009 1 436 57 57 ALA C C 176.060 0.000 1 437 57 57 ALA CA C 52.093 0.455 1 438 57 57 ALA CB C 17.700 0.579 1 439 57 57 ALA N N 131.716 0.051 1 440 58 58 ASP H H 8.183 0.003 1 441 58 58 ASP HA H 4.634 0.000 1 442 58 58 ASP HB2 H 2.633 0.011 2 443 58 58 ASP HB3 H 3.038 0.000 2 444 58 58 ASP C C 175.275 0.000 1 445 58 58 ASP CA C 50.129 0.062 1 446 58 58 ASP CB C 37.121 0.000 1 447 58 58 ASP N N 113.969 0.053 1 448 59 59 GLY H H 7.551 0.003 1 449 59 59 GLY HA2 H 3.830 0.012 2 450 59 59 GLY HA3 H 3.830 0.012 2 451 59 59 GLY C C 172.518 0.000 1 452 59 59 GLY CA C 44.512 0.038 1 453 59 59 GLY N N 108.436 0.069 1 454 60 60 ASN H H 8.428 0.014 1 455 60 60 ASN HA H 4.521 0.014 1 456 60 60 ASN HB3 H 3.050 0.009 2 457 60 60 ASN C C 174.733 0.000 1 458 60 60 ASN CA C 51.087 0.089 1 459 60 60 ASN CB C 37.735 0.000 1 460 60 60 ASN N N 120.911 0.054 1 461 61 61 GLY H H 10.572 0.012 1 462 61 61 GLY HA2 H 3.666 0.019 2 463 61 61 GLY HA3 H 4.361 0.003 2 464 61 61 GLY C C 171.140 0.000 1 465 61 61 GLY CA C 43.099 0.475 1 466 61 61 GLY N N 113.076 0.053 1 467 62 62 THR H H 8.168 0.009 1 468 62 62 THR HA H 4.729 0.003 1 469 62 62 THR HB H 3.852 0.101 1 470 62 62 THR HG2 H 1.104 0.031 1 471 62 62 THR C C 170.549 0.000 1 472 62 62 THR CA C 56.732 0.153 1 473 62 62 THR CB C 70.129 0.465 1 474 62 62 THR CG2 C 20.312 0.469 1 475 62 62 THR N N 112.451 0.087 1 476 63 63 ILE H H 8.783 0.005 1 477 63 63 ILE HA H 5.198 0.004 1 478 63 63 ILE HG2 H 1.113 0.166 1 479 63 63 ILE HD1 H 0.800 0.027 1 480 63 63 ILE C C 172.974 0.000 1 481 63 63 ILE CA C 56.403 0.089 1 482 63 63 ILE CB C 36.455 0.000 1 483 63 63 ILE CG2 C 16.339 0.358 1 484 63 63 ILE CD1 C 11.184 0.066 1 485 63 63 ILE N N 123.903 0.091 1 486 64 64 ASP H H 8.843 0.006 1 487 64 64 ASP HA H 4.798 0.874 1 488 64 64 ASP HB2 H 2.763 0.015 2 489 64 64 ASP HB3 H 3.115 0.001 2 490 64 64 ASP C C 173.459 0.000 1 491 64 64 ASP CA C 49.228 0.398 1 492 64 64 ASP CB C 39.593 0.000 1 493 64 64 ASP N N 128.260 0.037 1 494 65 65 PHE H H 8.914 0.004 1 495 65 65 PHE CA C 60.545 0.000 1 496 65 65 PHE N N 118.625 0.035 1 497 66 66 PRO HA H 3.848 0.007 1 498 66 66 PRO HB2 H 2.053 0.000 2 499 66 66 PRO HB3 H 2.053 0.000 2 500 66 66 PRO C C 177.424 0.000 1 501 66 66 PRO CA C 64.109 0.035 1 502 66 66 PRO CB C 27.930 0.000 1 503 67 67 GLU H H 8.180 0.007 1 504 67 67 GLU HA H 3.991 0.001 1 505 67 67 GLU C C 176.679 0.000 1 506 67 67 GLU CA C 56.355 0.050 1 507 67 67 GLU CB C 26.854 0.000 1 508 67 67 GLU N N 117.917 0.062 1 509 68 68 PHE H H 8.712 0.004 1 510 68 68 PHE HA H 3.919 0.000 1 511 68 68 PHE C C 174.055 0.000 1 512 68 68 PHE CA C 58.790 0.055 1 513 68 68 PHE CB C 37.799 0.000 1 514 68 68 PHE N N 123.919 0.124 1 515 69 69 LEU H H 8.662 0.006 1 516 69 69 LEU HA H 3.333 0.013 1 517 69 69 LEU HD1 H 0.578 0.011 1 518 69 69 LEU C C 176.383 0.000 1 519 69 69 LEU CA C 55.423 0.367 1 520 69 69 LEU CB C 38.561 0.000 1 521 69 69 LEU CD1 C 23.591 0.412 1 522 69 69 LEU N N 119.441 0.061 1 523 70 70 THR H H 7.743 0.006 1 524 70 70 THR HA H 4.221 0.000 1 525 70 70 THR HB H 3.741 0.000 1 526 70 70 THR HG2 H 1.186 0.015 1 527 70 70 THR C C 173.581 0.000 1 528 70 70 THR CA C 63.832 0.035 1 529 70 70 THR CB C 65.433 0.000 1 530 70 70 THR CG2 C 19.890 0.192 1 531 70 70 THR N N 115.664 0.038 1 532 71 71 MET H H 7.590 0.089 1 533 71 71 MET HA H 3.834 0.000 1 534 71 71 MET HE H 1.729 0.021 1 535 71 71 MET C C 175.224 0.000 1 536 71 71 MET CA C 56.385 0.419 1 537 71 71 MET CE C 15.390 0.622 1 538 71 71 MET N N 121.298 0.102 1 539 72 72 MET H H 8.037 0.003 1 540 72 72 MET HA H 3.925 0.000 1 541 72 72 MET HE H 1.591 0.073 1 542 72 72 MET C C 175.473 0.000 1 543 72 72 MET CA C 53.592 0.009 1 544 72 72 MET CE C 15.331 0.246 1 545 72 72 MET N N 117.794 0.030 1 546 73 73 ALA H H 8.153 0.005 1 547 73 73 ALA HA H 4.008 0.008 1 548 73 73 ALA HB H 1.373 0.013 1 549 73 73 ALA C C 177.221 0.000 1 550 73 73 ALA CA C 52.025 0.013 1 551 73 73 ALA CB C 15.931 0.469 1 552 73 73 ALA N N 120.935 0.043 1 553 74 74 ARG H H 7.582 0.006 1 554 74 74 ARG HA H 3.861 0.000 1 555 74 74 ARG HB2 H 2.088 0.000 2 556 74 74 ARG HB3 H 2.088 0.000 2 557 74 74 ARG C C 175.278 0.000 1 558 74 74 ARG CA C 56.179 0.110 1 559 74 74 ARG CB C 25.307 0.000 1 560 74 74 ARG N N 116.946 0.048 1 561 75 75 LYS H H 7.659 0.011 1 562 75 75 LYS HA H 4.196 0.007 1 563 75 75 LYS C C 175.708 0.000 1 564 75 75 LYS CA C 55.116 0.179 1 565 75 75 LYS CB C 28.975 0.000 1 566 75 75 LYS N N 118.416 0.129 1 567 76 76 MET H H 7.978 0.003 1 568 76 76 MET HA H 4.328 0.003 1 569 76 76 MET HE H 2.054 0.027 1 570 76 76 MET C C 173.780 0.000 1 571 76 76 MET CA C 54.717 0.000 1 572 76 76 MET CE C 15.036 0.473 1 573 76 76 MET N N 116.902 0.063 1 574 77 77 LYS H H 7.808 0.014 1 575 77 77 LYS HA H 4.302 0.002 1 576 77 77 LYS HB2 H 1.907 0.000 2 577 77 77 LYS HB3 H 1.907 0.000 2 578 77 77 LYS C C 173.804 0.000 1 579 77 77 LYS CA C 53.857 0.007 1 580 77 77 LYS CB C 30.451 0.000 1 581 77 77 LYS N N 120.115 0.046 1 582 78 78 ASP H H 7.833 0.004 1 583 78 78 ASP HA H 4.684 0.006 1 584 78 78 ASP HB2 H 2.703 0.000 2 585 78 78 ASP HB3 H 2.703 0.000 2 586 78 78 ASP C C 174.195 0.000 1 587 78 78 ASP CA C 51.700 0.054 1 588 78 78 ASP CB C 38.415 0.000 1 589 78 78 ASP N N 120.159 0.075 1 590 79 79 THR H H 8.155 0.008 1 591 79 79 THR HA H 4.258 0.023 1 592 79 79 THR HG2 H 1.206 0.009 1 593 79 79 THR C C 172.146 0.000 1 594 79 79 THR CA C 60.127 0.088 1 595 79 79 THR CB C 66.555 0.000 1 596 79 79 THR CG2 C 19.760 0.391 1 597 79 79 THR N N 115.953 0.138 1 598 80 80 ASP H H 8.447 0.003 1 599 80 80 ASP HA H 4.735 0.001 1 600 80 80 ASP HB2 H 2.701 0.000 2 601 80 80 ASP HB3 H 2.701 0.000 2 602 80 80 ASP C C 173.782 0.000 1 603 80 80 ASP CA C 51.838 0.037 1 604 80 80 ASP CB C 38.643 0.000 1 605 80 80 ASP N N 122.647 0.047 1 606 81 81 SER H H 8.176 0.004 1 607 81 81 SER HB2 H 3.990 0.000 2 608 81 81 SER HB3 H 3.990 0.000 2 609 81 81 SER C C 172.369 0.000 1 610 81 81 SER CA C 55.661 0.031 1 611 81 81 SER CB C 61.443 0.000 1 612 81 81 SER N N 116.203 0.190 1 613 82 82 GLU H H 8.487 0.009 1 614 82 82 GLU HA H 4.055 0.023 1 615 82 82 GLU HB2 H 2.065 0.000 2 616 82 82 GLU HB3 H 2.065 0.000 2 617 82 82 GLU C C 175.219 0.000 1 618 82 82 GLU CA C 56.802 0.040 1 619 82 82 GLU CB C 26.717 0.000 1 620 82 82 GLU N N 123.085 0.028 1 621 83 83 GLU H H 8.452 0.003 1 622 83 83 GLU HA H 3.970 0.000 1 623 83 83 GLU HB2 H 2.021 0.010 2 624 83 83 GLU HB3 H 2.021 0.010 2 625 83 83 GLU C C 176.212 0.000 1 626 83 83 GLU CA C 57.323 0.084 1 627 83 83 GLU N N 118.328 0.030 1 628 84 84 GLU H H 8.029 0.039 1 629 84 84 GLU C C 176.665 0.000 1 630 84 84 GLU CA C 56.672 0.126 1 631 84 84 GLU CB C 26.963 0.000 1 632 84 84 GLU N N 118.736 0.039 1 633 85 85 ILE H H 8.066 0.028 1 634 85 85 ILE HA H 3.834 0.000 1 635 85 85 ILE HG2 H 1.091 0.011 1 636 85 85 ILE HD1 H 0.750 0.009 1 637 85 85 ILE C C 175.630 0.000 1 638 85 85 ILE CA C 62.562 0.203 1 639 85 85 ILE CB C 34.679 0.000 1 640 85 85 ILE CG2 C 17.147 0.435 1 641 85 85 ILE CD1 C 10.904 0.541 1 642 85 85 ILE N N 121.342 0.567 1 643 86 86 ARG H H 8.488 0.037 1 644 86 86 ARG HA H 3.957 0.000 1 645 86 86 ARG C C 176.117 0.000 1 646 86 86 ARG CA C 57.263 0.084 1 647 86 86 ARG CB C 27.350 0.000 1 648 86 86 ARG N N 121.300 0.044 1 649 87 87 GLU H H 8.044 0.019 1 650 87 87 GLU HA H 4.060 0.000 1 651 87 87 GLU HB2 H 2.088 0.000 2 652 87 87 GLU HB3 H 2.088 0.000 2 653 87 87 GLU C C 176.154 0.000 1 654 87 87 GLU CA C 56.679 0.164 1 655 87 87 GLU CB C 26.328 0.000 1 656 87 87 GLU N N 118.729 0.204 1 657 88 88 ALA H H 7.915 0.010 1 658 88 88 ALA HA H 4.136 0.000 1 659 88 88 ALA HB H 1.768 0.011 1 660 88 88 ALA C C 175.996 0.000 1 661 88 88 ALA CA C 52.569 0.073 1 662 88 88 ALA CB C 15.683 0.481 1 663 88 88 ALA N N 121.458 0.240 1 664 89 89 PHE H H 8.540 0.003 1 665 89 89 PHE HA H 3.168 0.013 1 666 89 89 PHE C C 174.437 0.000 1 667 89 89 PHE CA C 59.529 0.074 1 668 89 89 PHE CB C 36.561 0.000 1 669 89 89 PHE N N 118.661 0.047 1 670 90 90 ARG H H 7.841 0.010 1 671 90 90 ARG HA H 3.814 0.008 1 672 90 90 ARG HB2 H 1.931 0.011 2 673 90 90 ARG HB3 H 1.931 0.011 2 674 90 90 ARG C C 175.037 0.000 1 675 90 90 ARG CA C 56.085 0.029 1 676 90 90 ARG CB C 27.651 0.000 1 677 90 90 ARG N N 115.949 0.055 1 678 91 91 VAL H H 7.376 0.004 1 679 91 91 VAL HA H 3.477 0.000 1 680 91 91 VAL HB H 2.172 0.001 1 681 91 91 VAL HG1 H 0.984 0.015 2 682 91 91 VAL HG2 H 0.984 0.015 2 683 91 91 VAL C C 173.945 0.000 1 684 91 91 VAL CA C 63.043 0.035 1 685 91 91 VAL CG1 C 20.498 0.468 1 686 91 91 VAL N N 117.885 0.051 1 687 92 92 PHE H H 7.022 0.006 1 688 92 92 PHE HA H 4.157 0.000 1 689 92 92 PHE HB3 H 2.651 0.000 2 690 92 92 PHE C C 174.091 0.000 1 691 92 92 PHE CA C 57.412 0.040 1 692 92 92 PHE CB C 38.375 0.000 1 693 92 92 PHE N N 114.866 0.046 1 694 93 93 ASP H H 7.819 0.004 1 695 93 93 ASP HA H 4.291 0.000 1 696 93 93 ASP HB2 H 2.202 0.000 2 697 93 93 ASP HB3 H 2.202 0.000 2 698 93 93 ASP C C 174.848 0.000 1 699 93 93 ASP CA C 49.609 0.095 1 700 93 93 ASP CB C 35.861 0.000 1 701 93 93 ASP N N 116.676 0.047 1 702 94 94 LYS H H 7.697 0.003 1 703 94 94 LYS HA H 3.877 0.000 1 704 94 94 LYS HB2 H 1.808 0.000 2 705 94 94 LYS HB3 H 1.808 0.000 2 706 94 94 LYS C C 175.608 0.000 1 707 94 94 LYS CA C 56.121 0.067 1 708 94 94 LYS CB C 29.712 0.000 1 709 94 94 LYS N N 125.685 0.041 1 710 95 95 ASP H H 8.194 0.013 1 711 95 95 ASP HA H 4.521 0.010 1 712 95 95 ASP HB2 H 2.605 0.011 2 713 95 95 ASP HB3 H 3.051 0.022 2 714 95 95 ASP C C 175.082 0.000 1 715 95 95 ASP CA C 50.304 0.037 1 716 95 95 ASP CB C 36.895 0.000 1 717 95 95 ASP N N 114.122 0.067 1 718 96 96 GLY H H 7.749 0.006 1 719 96 96 GLY HA2 H 3.811 0.004 2 720 96 96 GLY HA3 H 3.811 0.004 2 721 96 96 GLY C C 172.460 0.000 1 722 96 96 GLY CA C 44.414 0.033 1 723 96 96 GLY N N 109.264 0.053 1 724 97 97 ASN H H 8.341 0.004 1 725 97 97 ASN C C 173.421 0.000 1 726 97 97 ASN CA C 49.991 0.025 1 727 97 97 ASN CB C 35.413 0.000 1 728 97 97 ASN N N 119.744 0.069 1 729 98 98 GLY H H 10.577 0.007 1 730 98 98 GLY HA2 H 3.735 0.315 2 731 98 98 GLY C C 169.997 0.000 1 732 98 98 GLY CA C 42.367 0.059 1 733 98 98 GLY N N 112.746 0.105 1 734 99 99 TYR H H 7.635 0.003 1 735 99 99 TYR HA H 5.013 0.002 1 736 99 99 TYR HB2 H 2.515 0.020 2 737 99 99 TYR HB3 H 2.515 0.020 2 738 99 99 TYR HD1 H 7.946 0.000 3 739 99 99 TYR HD2 H 7.946 0.000 3 740 99 99 TYR C C 172.048 0.000 1 741 99 99 TYR CA C 53.572 0.045 1 742 99 99 TYR CB C 40.245 0.000 1 743 99 99 TYR N N 116.143 0.044 1 744 100 100 ILE H H 10.118 0.005 1 745 100 100 ILE HA H 4.666 0.017 1 746 100 100 ILE HB H 1.786 0.019 1 747 100 100 ILE HG2 H 0.924 0.029 1 748 100 100 ILE HD1 H 0.304 0.009 1 749 100 100 ILE C C 172.752 0.000 1 750 100 100 ILE CA C 58.380 0.052 1 751 100 100 ILE CB C 36.797 0.570 1 752 100 100 ILE CG2 C 15.170 0.608 1 753 100 100 ILE CD1 C 13.906 0.561 1 754 100 100 ILE N N 127.480 0.052 1 755 101 101 SER H H 8.939 0.005 1 756 101 101 SER HA H 4.873 0.013 1 757 101 101 SER HB2 H 4.419 0.006 2 758 101 101 SER HB3 H 4.419 0.006 2 759 101 101 SER C C 172.609 0.000 1 760 101 101 SER CA C 53.013 0.095 1 761 101 101 SER CB C 64.228 0.000 1 762 101 101 SER N N 123.738 0.042 1 763 102 102 ALA H H 9.236 0.007 1 764 102 102 ALA HA H 3.890 0.010 1 765 102 102 ALA HB H 1.446 0.024 1 766 102 102 ALA C C 176.680 0.000 1 767 102 102 ALA CA C 53.123 0.156 1 768 102 102 ALA CB C 15.726 0.449 1 769 102 102 ALA N N 123.011 0.048 1 770 103 103 ALA H H 8.212 0.005 1 771 103 103 ALA HB H 1.392 0.014 1 772 103 103 ALA C C 178.499 0.000 1 773 103 103 ALA CA C 52.719 0.098 1 774 103 103 ALA CB C 15.885 0.558 1 775 103 103 ALA N N 118.430 0.031 1 776 104 104 GLU H H 7.774 0.002 1 777 104 104 GLU HA H 3.983 0.000 1 778 104 104 GLU C C 176.573 0.000 1 779 104 104 GLU CA C 56.763 0.133 1 780 104 104 GLU CB C 26.268 0.000 1 781 104 104 GLU N N 119.376 0.024 1 782 105 105 LEU H H 8.428 0.008 1 783 105 105 LEU HA H 4.162 0.000 1 784 105 105 LEU HB2 H 1.497 0.001 2 785 105 105 LEU HB3 H 1.497 0.001 2 786 105 105 LEU C C 175.711 0.000 1 787 105 105 LEU CA C 55.907 0.042 1 788 105 105 LEU CB C 39.311 0.000 1 789 105 105 LEU N N 120.955 0.018 1 790 106 106 ARG H H 8.726 0.005 1 791 106 106 ARG C C 175.920 0.000 1 792 106 106 ARG CA C 57.426 0.055 1 793 106 106 ARG CB C 27.756 0.000 1 794 106 106 ARG N N 117.979 0.093 1 795 107 107 HIS H H 7.973 0.014 1 796 107 107 HIS HA H 4.290 0.005 1 797 107 107 HIS HB2 H 3.291 0.000 2 798 107 107 HIS HB3 H 3.291 0.000 2 799 107 107 HIS C C 175.675 0.787 1 800 107 107 HIS CA C 57.247 0.129 1 801 107 107 HIS CB C 26.971 0.000 1 802 107 107 HIS N N 119.123 0.092 1 803 108 108 VAL H H 7.968 0.012 1 804 108 108 VAL HA H 3.450 0.020 1 805 108 108 VAL HB H 1.958 0.000 1 806 108 108 VAL HG1 H 0.811 0.004 2 807 108 108 VAL HG2 H 0.811 0.004 2 808 108 108 VAL C C 175.364 0.000 1 809 108 108 VAL CA C 64.290 0.075 1 810 108 108 VAL CB C 29.045 0.000 1 811 108 108 VAL CG1 C 20.328 0.296 1 812 108 108 VAL N N 118.869 0.176 1 813 109 109 MET H H 8.245 0.004 1 814 109 109 MET HA H 4.280 0.037 1 815 109 109 MET HE H 2.018 0.002 1 816 109 109 MET C C 176.461 0.000 1 817 109 109 MET CA C 54.716 0.069 1 818 109 109 MET CB C 27.510 0.000 1 819 109 109 MET CE C 15.285 0.224 1 820 109 109 MET N N 115.182 0.039 1 821 110 110 THR H H 8.394 0.007 1 822 110 110 THR HA H 4.264 0.000 1 823 110 110 THR HG2 H 1.219 0.001 1 824 110 110 THR C C 175.676 0.000 1 825 110 110 THR CA C 63.966 0.065 1 826 110 110 THR CB C 65.942 0.000 1 827 110 110 THR CG2 C 19.447 0.508 1 828 110 110 THR N N 116.120 0.065 1 829 111 111 ASN H H 7.830 0.006 1 830 111 111 ASN HA H 4.399 0.000 1 831 111 111 ASN HB2 H 2.684 0.000 2 832 111 111 ASN HB3 H 2.684 0.000 2 833 111 111 ASN C C 174.045 0.000 1 834 111 111 ASN CA C 53.382 0.075 1 835 111 111 ASN CB C 35.134 0.000 1 836 111 111 ASN N N 123.145 0.065 1 837 112 112 LEU H H 7.751 0.005 1 838 112 112 LEU HA H 4.274 0.051 1 839 112 112 LEU HB2 H 1.666 0.002 2 840 112 112 LEU HB3 H 1.666 0.002 2 841 112 112 LEU C C 173.865 0.000 1 842 112 112 LEU CA C 52.830 0.095 1 843 112 112 LEU CB C 39.850 0.000 1 844 112 112 LEU N N 118.449 0.052 1 845 113 113 GLY H H 7.681 0.006 1 846 113 113 GLY HA2 H 3.651 0.003 2 847 113 113 GLY HA3 H 4.249 0.000 2 848 113 113 GLY C C 171.633 0.000 1 849 113 113 GLY CA C 42.493 0.021 1 850 113 113 GLY N N 105.456 0.088 1 851 114 114 GLU H H 7.995 0.004 1 852 114 114 GLU HA H 4.428 0.000 1 853 114 114 GLU HB2 H 1.856 0.000 2 854 114 114 GLU HB3 H 1.665 0.000 2 855 114 114 GLU C C 172.437 0.000 1 856 114 114 GLU CA C 52.265 0.023 1 857 114 114 GLU CB C 27.947 0.000 1 858 114 114 GLU N N 121.506 0.023 1 859 115 115 LYS H H 8.518 0.005 1 860 115 115 LYS HA H 4.357 0.007 1 861 115 115 LYS HB2 H 1.701 0.002 2 862 115 115 LYS HB3 H 1.701 0.002 2 863 115 115 LYS C C 172.848 0.000 1 864 115 115 LYS CA C 52.877 0.108 1 865 115 115 LYS CB C 29.145 0.000 1 866 115 115 LYS N N 125.328 0.039 1 867 116 116 LEU H H 8.055 0.005 1 868 116 116 LEU HA H 4.755 0.003 1 869 116 116 LEU HB2 H 1.485 0.005 2 870 116 116 LEU HB3 H 1.485 0.005 2 871 116 116 LEU C C 175.442 0.000 1 872 116 116 LEU CA C 51.316 0.029 1 873 116 116 LEU CB C 42.087 0.000 1 874 116 116 LEU N N 125.197 0.044 1 875 117 117 THR H H 9.161 0.004 1 876 117 117 THR HA H 4.425 0.002 1 877 117 117 THR HB H 4.691 0.017 1 878 117 117 THR HG2 H 1.315 0.009 1 879 117 117 THR C C 172.820 0.000 1 880 117 117 THR CA C 58.008 0.075 1 881 117 117 THR CB C 68.467 0.000 1 882 117 117 THR CG2 C 19.697 0.488 1 883 117 117 THR N N 114.682 0.039 1 884 118 118 ASP H H 8.859 0.003 1 885 118 118 ASP HA H 4.181 0.005 1 886 118 118 ASP HB2 H 2.545 0.000 2 887 118 118 ASP HB3 H 2.710 0.000 2 888 118 118 ASP C C 175.878 0.000 1 889 118 118 ASP CA C 55.295 0.032 1 890 118 118 ASP CB C 37.086 0.000 1 891 118 118 ASP N N 121.031 0.026 1 892 119 119 GLU H H 8.598 0.006 1 893 119 119 GLU HA H 4.048 0.014 1 894 119 119 GLU HB2 H 2.037 0.000 2 895 119 119 GLU HB3 H 2.037 0.000 2 896 119 119 GLU C C 176.465 0.000 1 897 119 119 GLU CA C 57.299 0.065 1 898 119 119 GLU CB C 26.330 0.000 1 899 119 119 GLU N N 119.081 0.092 1 900 120 120 GLU H H 7.707 0.007 1 901 120 120 GLU HA H 3.964 0.005 1 902 120 120 GLU HB2 H 1.879 0.000 2 903 120 120 GLU HB3 H 2.323 0.027 2 904 120 120 GLU C C 177.218 0.000 1 905 120 120 GLU CA C 56.608 0.055 1 906 120 120 GLU CB C 27.880 0.000 1 907 120 120 GLU N N 120.420 0.064 1 908 121 121 VAL H H 7.996 0.004 1 909 121 121 VAL HA H 3.560 0.000 1 910 121 121 VAL HB H 2.167 0.007 1 911 121 121 VAL HG1 H 0.927 0.008 1 912 121 121 VAL HG2 H 0.410 0.019 1 913 121 121 VAL HG2 H 0.463 0.006 1 914 121 121 VAL HG2 H 0.410 0.019 1 915 121 121 VAL C C 174.654 0.000 1 916 121 121 VAL CA C 64.532 0.357 1 917 121 121 VAL CB C 29.508 0.567 1 918 121 121 VAL CG1 C 21.944 0.261 1 919 121 121 VAL CG2 C 21.502 0.030 1 920 121 121 VAL N N 120.551 0.072 1 921 122 122 ASP H H 8.017 0.006 1 922 122 122 ASP HA H 4.279 0.000 1 923 122 122 ASP HB2 H 2.561 0.009 2 924 122 122 ASP HB3 H 2.715 0.002 2 925 122 122 ASP C C 176.375 0.000 1 926 122 122 ASP CA C 54.967 0.073 1 927 122 122 ASP CB C 37.925 0.000 1 928 122 122 ASP N N 119.367 0.044 1 929 123 123 GLU H H 8.003 0.005 1 930 123 123 GLU HA H 4.032 0.000 1 931 123 123 GLU HB2 H 2.066 0.000 2 932 123 123 GLU HB3 H 2.066 0.000 2 933 123 123 GLU C C 175.681 0.000 1 934 123 123 GLU CA C 56.753 0.152 1 935 123 123 GLU CB C 26.461 0.000 1 936 123 123 GLU N N 119.326 0.036 1 937 124 124 MET H H 7.680 0.005 1 938 124 124 MET HA H 4.000 0.018 1 939 124 124 MET HB3 H 2.258 0.000 2 940 124 124 MET HE H 1.865 0.028 1 941 124 124 MET CA C 56.836 0.266 1 942 124 124 MET CB C 30.738 0.000 1 943 124 124 MET CE C 15.120 0.331 1 944 124 124 MET N N 119.343 0.140 1 945 125 125 ILE H H 7.827 0.008 1 946 125 125 ILE HA H 3.492 0.011 1 947 125 125 ILE HB H 2.153 0.012 1 948 125 125 ILE HG2 H 0.682 0.018 1 949 125 125 ILE HD1 H 0.643 0.037 1 950 125 125 ILE C C 175.062 0.000 1 951 125 125 ILE CA C 60.736 0.045 1 952 125 125 ILE CB C 33.908 0.585 1 953 125 125 ILE CG1 C 26.323 0.113 1 954 125 125 ILE CG2 C 14.526 0.340 1 955 125 125 ILE CD1 C 8.545 0.072 1 956 125 125 ILE N N 117.938 0.107 1 957 126 126 ARG H H 8.303 0.005 1 958 126 126 ARG HA H 3.986 0.001 1 959 126 126 ARG HB2 H 1.862 0.005 2 960 126 126 ARG HB3 H 1.862 0.005 2 961 126 126 ARG C C 176.291 0.000 1 962 126 126 ARG CA C 57.059 0.056 1 963 126 126 ARG CB C 27.498 0.000 1 964 126 126 ARG N N 118.139 0.069 1 965 127 127 GLU H H 7.745 0.004 1 966 127 127 GLU HA H 3.966 0.015 1 967 127 127 GLU HB2 H 2.024 0.000 2 968 127 127 GLU HB3 H 2.024 0.000 2 969 127 127 GLU HG2 H 0.857 0.005 2 970 127 127 GLU C C 174.517 0.000 1 971 127 127 GLU CA C 55.953 0.067 1 972 127 127 GLU CB C 27.029 0.257 1 973 127 127 GLU N N 116.607 0.040 1 974 128 128 ALA H H 7.235 0.073 1 975 128 128 ALA HA H 4.461 0.000 1 976 128 128 ALA HB H 1.380 0.020 1 977 128 128 ALA C C 174.948 0.000 1 978 128 128 ALA CA C 49.154 0.013 1 979 128 128 ALA CB C 19.669 0.603 1 980 128 128 ALA N N 118.638 0.245 1 981 129 129 ASP H H 7.922 0.005 1 982 129 129 ASP HA H 4.429 0.004 1 983 129 129 ASP HB2 H 2.443 0.000 2 984 129 129 ASP HB3 H 2.771 0.027 2 985 129 129 ASP C C 173.212 0.000 1 986 129 129 ASP CA C 51.550 0.052 1 987 129 129 ASP CB C 37.939 0.013 1 988 129 129 ASP N N 117.899 0.033 1 989 130 130 ILE H H 8.253 0.016 1 990 130 130 ILE HA H 3.868 0.000 1 991 130 130 ILE HB H 1.933 0.017 1 992 130 130 ILE HG2 H 0.914 0.015 1 993 130 130 ILE HD1 H 0.863 4.749 1 994 130 130 ILE C C 175.242 0.000 1 995 130 130 ILE CA C 60.842 0.034 1 996 130 130 ILE CB C 35.883 0.000 1 997 130 130 ILE CG2 C 15.390 0.358 1 998 130 130 ILE N N 128.048 0.069 1 999 131 131 ASP H H 8.336 0.005 1 1000 131 131 ASP HA H 4.486 0.011 1 1001 131 131 ASP HB2 H 2.612 0.005 2 1002 131 131 ASP HB3 H 3.042 0.002 2 1003 131 131 ASP C C 175.635 0.000 1 1004 131 131 ASP CA C 51.294 0.022 1 1005 131 131 ASP CB C 37.231 0.000 1 1006 131 131 ASP N N 116.726 0.058 1 1007 132 132 GLY H H 7.600 0.016 1 1008 132 132 GLY HA2 H 3.784 0.015 2 1009 132 132 GLY HA3 H 3.975 0.000 2 1010 132 132 GLY C C 172.657 0.000 1 1011 132 132 GLY CA C 44.716 0.099 1 1012 132 132 GLY N N 108.624 0.074 1 1013 133 133 ASP H H 8.329 0.008 1 1014 133 133 ASP HA H 4.448 0.003 1 1015 133 133 ASP HB2 H 2.505 0.024 2 1016 133 133 ASP HB3 H 2.921 0.000 2 1017 133 133 ASP C C 174.905 0.000 1 1018 133 133 ASP CA C 51.082 0.095 1 1019 133 133 ASP CB C 37.399 0.000 1 1020 133 133 ASP N N 120.887 0.033 1 1021 134 134 GLY H H 10.243 0.007 1 1022 134 134 GLY HA2 H 3.395 0.007 2 1023 134 134 GLY HA3 H 4.028 0.004 2 1024 134 134 GLY C C 170.130 0.000 1 1025 134 134 GLY CA C 43.067 0.067 1 1026 134 134 GLY N N 112.734 0.051 1 1027 135 135 GLN H H 7.936 0.002 1 1028 135 135 GLN HA H 4.862 0.020 1 1029 135 135 GLN C C 172.240 0.000 1 1030 135 135 GLN CA C 50.547 0.029 1 1031 135 135 GLN CB C 29.733 0.000 1 1032 135 135 GLN N N 115.331 0.039 1 1033 136 136 VAL H H 9.077 0.006 1 1034 136 136 VAL HA H 5.165 0.000 1 1035 136 136 VAL HB H 2.214 0.000 1 1036 136 136 VAL HG1 H 0.923 0.010 2 1037 136 136 VAL HG2 H 0.923 0.010 2 1038 136 136 VAL C C 173.216 0.000 1 1039 136 136 VAL CA C 59.076 0.021 1 1040 136 136 VAL CB C 31.056 0.000 1 1041 136 136 VAL CG1 C 20.430 0.550 2 1042 136 136 VAL N N 125.530 0.020 1 1043 137 137 ASN H H 9.526 0.012 1 1044 137 137 ASN HA H 5.229 0.026 1 1045 137 137 ASN C C 172.196 0.000 1 1046 137 137 ASN CA C 48.790 0.684 1 1047 137 137 ASN N N 129.128 0.035 1 1048 138 138 TYR H H 8.296 0.006 1 1049 138 138 TYR HA H 3.378 0.026 1 1050 138 138 TYR C C 173.474 0.000 1 1051 138 138 TYR CA C 59.929 0.039 1 1052 138 138 TYR CB C 44.550 0.000 1 1053 138 138 TYR N N 118.642 0.081 1 1054 139 139 GLU H H 8.063 0.003 1 1055 139 139 GLU HA H 3.634 0.001 1 1056 139 139 GLU HB2 H 1.980 0.000 2 1057 139 139 GLU HB3 H 1.980 0.000 2 1058 139 139 GLU C C 177.751 0.000 1 1059 139 139 GLU CA C 57.841 0.407 1 1060 139 139 GLU CB C 26.118 0.000 1 1061 139 139 GLU N N 118.531 0.090 1 1062 140 140 GLU H H 8.735 0.005 1 1063 140 140 GLU C C 176.728 0.000 1 1064 140 140 GLU CA C 56.062 0.087 1 1065 140 140 GLU CB C 26.852 0.000 1 1066 140 140 GLU N N 119.947 0.043 1 1067 141 141 PHE H H 8.717 0.006 1 1068 141 141 PHE HA H 3.983 0.000 1 1069 141 141 PHE HB2 H 3.279 0.000 2 1070 141 141 PHE HB3 H 3.279 0.000 2 1071 141 141 PHE C C 174.104 0.000 1 1072 141 141 PHE CA C 59.242 0.075 1 1073 141 141 PHE CB C 37.086 0.000 1 1074 141 141 PHE N N 124.311 0.167 1 1075 142 142 VAL H H 8.605 0.018 1 1076 142 142 VAL HA H 3.097 0.020 1 1077 142 142 VAL HB H 1.961 0.119 1 1078 142 142 VAL HG1 H 0.470 0.017 2 1079 142 142 VAL HG2 H 0.470 0.017 2 1080 142 142 VAL C C 176.932 0.000 1 1081 142 142 VAL CA C 63.608 1.144 1 1082 142 142 VAL CB C 35.139 0.000 1 1083 142 142 VAL CG1 C 21.246 0.497 2 1084 142 142 VAL N N 119.159 0.074 1 1085 143 143 GLN H H 7.703 0.017 1 1086 143 143 GLN HE21 H 7.700 0.000 2 1087 143 143 GLN C C 176.151 0.000 1 1088 143 143 GLN CA C 57.471 0.000 1 1089 143 143 GLN CB C 27.756 0.000 1 1090 143 143 GLN N N 118.833 0.164 1 1091 144 144 MET H H 8.092 0.009 1 1092 144 144 MET HA H 4.162 0.000 1 1093 144 144 MET HE H 1.955 0.005 1 1094 144 144 MET C C 175.099 0.000 1 1095 144 144 MET CA C 55.096 0.085 1 1096 144 144 MET CE C 15.229 0.348 1 1097 144 144 MET N N 120.092 0.072 1 1098 145 145 MET H H 7.724 0.014 1 1099 145 145 MET HA H 4.183 0.000 1 1100 145 145 MET HE H 1.809 0.026 1 1101 145 145 MET C C 174.097 0.000 1 1102 145 145 MET CA C 53.215 0.050 1 1103 145 145 MET CB C 37.131 0.000 1 1104 145 145 MET CE C 15.048 0.455 1 1105 145 145 MET N N 115.294 0.146 1 1106 146 146 THR H H 7.534 0.009 1 1107 146 146 THR HA H 4.234 0.008 1 1108 146 146 THR HB H 4.335 0.045 1 1109 146 146 THR HG2 H 1.154 0.011 1 1110 146 146 THR C C 171.445 0.000 1 1111 146 146 THR CA C 59.285 0.041 1 1112 146 146 THR CB C 67.445 0.371 1 1113 146 146 THR CG2 C 19.634 0.577 1 1114 146 146 THR N N 108.838 0.057 1 1115 147 147 ALA H H 7.801 0.015 1 1116 147 147 ALA HA H 4.297 0.001 1 1117 147 147 ALA HB H 1.349 0.018 1 1118 147 147 ALA C C 173.901 0.000 1 1119 147 147 ALA CA C 50.116 0.089 1 1120 147 147 ALA CB C 16.655 0.337 1 1121 147 147 ALA N N 125.976 0.170 1 1122 148 148 LYS H H 7.750 0.031 1 1123 148 148 LYS CA C 54.956 0.000 1 1124 148 148 LYS N N 125.578 0.025 1 stop_ save_ save_CaM-RTX-assignments _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $CaM stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name calmodulin _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 HA H 4.236 . 1 2 1 1 ALA HB H 1.356 . 1 3 1 1 ALA C C 175.200 . 1 4 1 1 ALA CA C 50.340 . 1 5 1 1 ALA CB C 16.560 . 1 6 2 2 ASP H H 8.301 . 1 7 2 2 ASP HA H 4.591 . 1 8 2 2 ASP HB2 H 2.527 . 2 9 2 2 ASP HB3 H 2.636 . 2 10 2 2 ASP CA C 52.220 . 1 11 2 2 ASP CB C 38.710 . 1 12 2 2 ASP N N 118.100 . 1 13 3 3 GLN H H 8.295 . 1 14 3 3 GLN HA H 4.344 . 1 15 3 3 GLN HB2 H 2.011 . 2 16 3 3 GLN HB3 H 2.011 . 2 17 3 3 GLN C C 173.000 . 1 18 3 3 GLN CA C 52.880 . 1 19 3 3 GLN CB C 27.210 . 1 20 3 3 GLN N N 119.700 . 1 21 4 4 LEU H H 8.229 . 1 22 4 4 LEU HA H 4.694 . 1 23 4 4 LEU HB2 H 1.472 . 2 24 4 4 LEU HB3 H 1.703 . 2 25 4 4 LEU C C 175.000 . 1 26 4 4 LEU CA C 51.710 . 1 27 4 4 LEU N N 123.000 . 1 28 5 5 THR H H 8.701 . 1 29 5 5 THR HA H 4.741 . 1 30 5 5 THR HB H 4.428 . 1 31 5 5 THR C C 172.800 . 1 32 5 5 THR CA C 57.850 . 1 33 5 5 THR CB C 68.540 . 1 34 5 5 THR N N 112.900 . 1 35 6 6 GLU H H 8.968 . 1 36 6 6 GLU C C 177.500 . 1 37 6 6 GLU CA C 57.560 . 1 38 6 6 GLU N N 120.400 . 1 39 7 7 GLU H H 8.619 . 1 40 7 7 GLU HB2 H 2.551 . 2 41 7 7 GLU HB3 H 2.551 . 2 42 7 7 GLU N N 119.400 . 1 43 8 8 GLN H H 8.140 . 1 44 8 8 GLN N N 119.300 . 1 45 9 9 ILE H H 8.347 . 1 46 9 9 ILE HA H 3.646 . 1 47 9 9 ILE HB H 1.919 . 1 48 9 9 ILE CA C 63.650 . 1 49 9 9 ILE CB C 35.120 . 1 50 9 9 ILE N N 119.600 . 1 51 10 10 ALA H H 7.922 . 1 52 10 10 ALA HA H 4.026 . 1 53 10 10 ALA HB H 1.411 . 1 54 10 10 ALA CA C 52.570 . 1 55 10 10 ALA CB C 15.730 . 1 56 10 10 ALA N N 121.000 . 1 57 11 11 GLU H H 7.897 . 1 58 11 11 GLU HA H 3.945 . 1 59 11 11 GLU HB2 H 2.030 . 2 60 11 11 GLU HB3 H 2.030 . 2 61 11 11 GLU C C 177.600 . 1 62 11 11 GLU N N 120.500 . 1 63 12 12 PHE H H 8.582 . 1 64 12 12 PHE HA H 4.921 . 1 65 12 12 PHE HB2 H 3.429 . 2 66 12 12 PHE HB3 H 3.429 . 2 67 12 12 PHE C C 176.200 . 1 68 12 12 PHE CA C 56.800 . 1 69 12 12 PHE CB C 34.970 . 1 70 12 12 PHE N N 119.500 . 1 71 13 13 LYS H H 9.090 . 1 72 13 13 LYS C C 176.700 . 1 73 13 13 LYS CA C 57.340 . 1 74 13 13 LYS N N 123.500 . 1 75 14 14 GLU H H 7.795 . 1 76 14 14 GLU HB2 H 2.111 . 2 77 14 14 GLU HB3 H 2.111 . 2 78 14 14 GLU CA C 56.840 . 1 79 14 14 GLU CB C 26.470 . 1 80 14 14 GLU N N 120.500 . 1 81 15 15 ALA H H 7.917 . 1 82 15 15 ALA HA H 4.151 . 1 83 15 15 ALA HB H 1.814 . 1 84 15 15 ALA CA C 52.500 . 1 85 15 15 ALA CB C 15.670 . 1 86 15 15 ALA N N 121.900 . 1 87 16 16 PHE H H 8.688 . 1 88 16 16 PHE HA H 3.255 . 1 89 16 16 PHE C C 175.000 . 1 90 16 16 PHE CA C 59.320 . 1 91 16 16 PHE CB C 36.910 . 1 92 16 16 PHE N N 118.600 . 1 93 17 17 SER H H 7.999 . 1 94 17 17 SER HA H 4.065 . 1 95 17 17 SER C C 172.000 . 1 96 17 17 SER CA C 59.910 . 1 97 17 17 SER N N 113.100 . 1 98 18 18 LEU H H 7.450 . 1 99 18 18 LEU CA C 54.420 . 1 100 18 18 LEU N N 120.600 . 1 101 19 19 PHE CA C 56.560 . 1 102 20 20 ASP H H 7.703 . 1 103 20 20 ASP HA H 4.536 . 1 104 20 20 ASP HB2 H 2.329 . 2 105 20 20 ASP HB3 H 2.329 . 2 106 20 20 ASP C C 174.500 . 1 107 20 20 ASP CA C 49.670 . 1 108 20 20 ASP CB C 36.520 . 1 109 20 20 ASP N N 116.900 . 1 110 21 21 LYS H H 7.615 . 1 111 21 21 LYS HA H 3.981 . 1 112 21 21 LYS HB2 H 1.880 . 2 113 21 21 LYS HB3 H 1.880 . 2 114 21 21 LYS C C 175.600 . 1 115 21 21 LYS CA C 55.490 . 1 116 21 21 LYS CB C 29.960 . 1 117 21 21 LYS N N 124.000 . 1 118 22 22 ASP H H 8.079 . 1 119 22 22 ASP HA H 4.580 . 1 120 22 22 ASP HB2 H 3.060 . 2 121 22 22 ASP HB3 H 3.060 . 2 122 22 22 ASP C C 175.100 . 1 123 22 22 ASP CA C 50.210 . 1 124 22 22 ASP CB C 36.940 . 1 125 22 22 ASP N N 114.100 . 1 126 23 23 GLY H H 7.673 . 1 127 23 23 GLY HA2 H 3.868 . 2 128 23 23 GLY HA3 H 3.868 . 2 129 23 23 GLY C C 172.400 . 1 130 23 23 GLY CA C 44.590 . 1 131 23 23 GLY N N 109.400 . 1 132 24 24 ASP H H 8.139 . 1 133 24 24 ASP C C 174.200 . 1 134 24 24 ASP CA C 50.180 . 1 135 24 24 ASP CB C 35.030 . 1 136 24 24 ASP N N 118.800 . 1 137 25 25 GLY H H 10.560 . 1 138 25 25 GLY HA2 H 3.479 . 2 139 25 25 GLY HA3 H 4.246 . 2 140 25 25 GLY C C 170.600 . 1 141 25 25 GLY CA C 42.990 . 1 142 25 25 GLY N N 113.300 . 1 143 26 26 THR H H 7.640 . 1 144 26 26 THR HA H 5.401 . 1 145 26 26 THR HB H 3.829 . 1 146 26 26 THR C C 170.600 . 1 147 26 26 THR CA C 56.940 . 1 148 26 26 THR CB C 70.160 . 1 149 26 26 THR N N 108.600 . 1 150 27 27 ILE H H 9.899 . 1 151 27 27 ILE HA H 4.844 . 1 152 27 27 ILE HB H 1.752 . 1 153 27 27 ILE C C 173.500 . 1 154 27 27 ILE CA C 58.180 . 1 155 27 27 ILE CB C 37.220 . 1 156 27 27 ILE N N 126.900 . 1 157 28 28 THR H H 8.395 . 1 158 28 28 THR HA H 4.831 . 1 159 28 28 THR C C 174.000 . 1 160 28 28 THR CA C 56.720 . 1 161 28 28 THR CB C 69.891 . 1 162 28 28 THR N N 116.500 . 1 163 29 29 THR H H 9.187 . 1 164 29 29 THR HA H 4.193 . 1 165 29 29 THR HB H 3.739 . 1 166 29 29 THR C C 174.700 . 1 167 29 29 THR CA C 63.840 . 1 168 29 29 THR CB C 65.430 . 1 169 29 29 THR N N 112.900 . 1 170 30 30 LYS H H 7.631 . 1 171 30 30 LYS HA H 4.112 . 1 172 30 30 LYS HB2 H 1.803 . 2 173 30 30 LYS HB3 H 1.803 . 2 174 30 30 LYS C C 177.300 . 1 175 30 30 LYS CA C 56.580 . 1 176 30 30 LYS CB C 29.910 . 1 177 30 30 LYS N N 121.100 . 1 178 31 31 GLU H H 7.730 . 1 179 31 31 GLU HA H 4.002 . 1 180 31 31 GLU C C 176.500 . 1 181 31 31 GLU CA C 56.950 . 1 182 31 31 GLU CB C 27.090 . 1 183 31 31 GLU N N 121.900 . 1 184 32 32 LEU H H 8.658 . 1 185 32 32 LEU HA H 4.120 . 1 186 32 32 LEU HB2 H 1.799 . 2 187 32 32 LEU HB3 H 1.799 . 2 188 32 32 LEU C C 176.300 . 1 189 32 32 LEU CA C 55.610 . 1 190 32 32 LEU CB C 39.710 . 1 191 32 32 LEU N N 120.500 . 1 192 33 33 GLY H H 8.711 . 1 193 33 33 GLY HA2 H 4.190 . 2 194 33 33 GLY HA3 H 3.760 . 2 195 33 33 GLY C C 171.800 . 1 196 33 33 GLY CA C 43.900 . 1 197 33 33 GLY N N 105.800 . 1 198 34 34 THR H H 7.881 . 1 199 34 34 THR HA H 3.926 . 1 200 34 34 THR HB H 4.345 . 1 201 34 34 THR C C 174.400 . 1 202 34 34 THR CA C 63.340 . 1 203 34 34 THR N N 118.300 . 1 204 35 35 VAL H H 7.679 . 1 205 35 35 VAL CB C 26.950 . 1 206 35 35 VAL N N 122.200 . 1 207 36 36 MET H H 8.486 . 1 208 36 36 MET HB2 H 2.080 . 2 209 36 36 MET HB3 H 2.080 . 2 210 36 36 MET C C 176.500 . 1 211 36 36 MET CA C 56.620 . 1 212 36 36 MET N N 118.200 . 1 213 37 37 ARG H H 8.484 . 1 214 37 37 ARG HA H 4.725 . 1 215 37 37 ARG N N 118.600 . 1 216 38 38 SER H H 8.013 . 1 217 38 38 SER HB2 H 4.029 . 2 218 38 38 SER HB3 H 4.029 . 2 219 38 38 SER C C 172.200 . 1 220 38 38 SER CB C 60.690 . 1 221 38 38 SER N N 119.400 . 1 222 39 39 LEU H H 7.368 . 1 223 39 39 LEU HA H 4.296 . 1 224 39 39 LEU CA C 55.110 . 1 225 39 39 LEU N N 120.300 . 1 226 40 40 GLY H H 7.824 . 1 227 40 40 GLY HA2 H 3.804 . 2 228 40 40 GLY HA3 H 3.804 . 2 229 40 40 GLY C C 171.800 . 1 230 40 40 GLY CA C 42.950 . 1 231 40 40 GLY N N 106.800 . 1 232 41 41 GLN H H 7.743 . 1 233 41 41 GLN HA H 4.456 . 1 234 41 41 GLN C C 171.600 . 1 235 41 41 GLN CA C 51.530 . 1 236 41 41 GLN CB C 27.380 . 1 237 41 41 GLN N N 118.400 . 1 238 42 42 ASN H H 8.653 . 1 239 42 42 ASN N N 116.300 . 1 240 43 43 PRO HA H 4.740 . 1 241 43 43 PRO HB2 H 1.889 . 2 242 43 43 PRO HB3 H 2.225 . 2 243 43 43 PRO C C 175.000 . 1 244 43 43 PRO CA C 59.760 . 1 245 43 43 PRO CB C 29.240 . 1 246 44 44 THR H H 8.742 . 1 247 44 44 THR HA H 4.699 . 1 248 44 44 THR HB H 4.427 . 1 249 44 44 THR C C 172.600 . 1 250 44 44 THR CA C 57.840 . 1 251 44 44 THR CB C 68.460 . 1 252 44 44 THR N N 112.900 . 1 253 45 45 GLU H H 8.777 . 1 254 45 45 GLU HA H 3.962 . 1 255 45 45 GLU HB2 H 2.028 . 2 256 45 45 GLU HB3 H 2.028 . 2 257 45 45 GLU C C 176.300 . 1 258 45 45 GLU CA C 57.430 . 1 259 45 45 GLU CB C 26.350 . 1 260 45 45 GLU N N 120.700 . 1 261 46 46 ALA H H 8.229 . 1 262 46 46 ALA HA H 3.931 . 1 263 46 46 ALA HB H 1.370 . 1 264 46 46 ALA C C 177.700 . 1 265 46 46 ALA CA C 52.420 . 1 266 46 46 ALA CB C 15.660 . 1 267 46 46 ALA N N 120.700 . 1 268 47 47 GLU H H 7.688 . 1 269 47 47 GLU C C 176.200 . 1 270 47 47 GLU CA C 57.030 . 1 271 47 47 GLU CB C 27.480 . 1 272 47 47 GLU N N 119.000 . 1 273 48 48 LEU H H 8.159 . 1 274 48 48 LEU HA H 4.084 . 1 275 48 48 LEU HB2 H 1.222 . 2 276 48 48 LEU HB3 H 1.222 . 2 277 48 48 LEU C C 176.000 . 1 278 48 48 LEU CA C 55.270 . 1 279 48 48 LEU CB C 39.870 . 1 280 48 48 LEU N N 120.400 . 1 281 49 49 GLN H H 8.211 . 1 282 49 49 GLN HA H 3.797 . 1 283 49 49 GLN HB2 H 2.154 . 2 284 49 49 GLN HB3 H 2.154 . 2 285 49 49 GLN C C 175.800 . 1 286 49 49 GLN CA C 56.000 . 1 287 49 49 GLN CB C 25.570 . 1 288 49 49 GLN N N 118.300 . 1 289 50 50 ASP H H 8.055 . 1 290 50 50 ASP C C 176.100 . 1 291 50 50 ASP CA C 54.910 . 1 292 50 50 ASP CB C 37.740 . 1 293 50 50 ASP N N 119.900 . 1 294 51 51 MET H H 7.834 . 1 295 51 51 MET HA H 4.086 . 1 296 51 51 MET HB2 H 2.153 . 2 297 51 51 MET HB3 H 2.153 . 2 298 51 51 MET CA C 56.820 . 1 299 51 51 MET N N 119.300 . 1 300 52 52 ILE H H 7.695 . 1 301 52 52 ILE HA H 3.602 . 1 302 52 52 ILE C C 175.500 . 1 303 52 52 ILE CA C 61.500 . 1 304 52 52 ILE N N 118.400 . 1 305 53 53 ASN H H 8.639 . 1 306 53 53 ASN HA H 4.385 . 1 307 53 53 ASN HB2 H 2.972 . 2 308 53 53 ASN HB3 H 2.972 . 2 309 53 53 ASN C C 174.700 . 1 310 53 53 ASN CA C 53.280 . 1 311 53 53 ASN CB C 35.440 . 1 312 53 53 ASN N N 118.000 . 1 313 54 54 GLU H H 7.548 . 1 314 54 54 GLU CA C 56.140 . 1 315 54 54 GLU N N 116.600 . 1 316 55 55 VAL H H 7.177 . 1 317 55 55 VAL C C 173.500 . 1 318 55 55 VAL CA C 57.560 . 1 319 55 55 VAL N N 108.600 . 1 320 56 56 ASP H H 7.633 . 1 321 56 56 ASP HB2 H 2.719 . 2 322 56 56 ASP HB3 H 2.719 . 2 323 56 56 ASP C C 173.300 . 1 324 56 56 ASP CA C 51.270 . 1 325 56 56 ASP CB C 37.870 . 1 326 56 56 ASP N N 121.300 . 1 327 57 57 ALA H H 8.266 . 1 328 57 57 ALA HA H 4.203 . 1 329 57 57 ALA HB H 1.522 . 1 330 57 57 ALA C C 176.100 . 1 331 57 57 ALA CA C 51.710 . 1 332 57 57 ALA CB C 17.220 . 1 333 57 57 ALA N N 131.800 . 1 334 58 58 ASP H H 8.206 . 1 335 58 58 ASP HA H 4.633 . 1 336 58 58 ASP HB2 H 2.668 . 2 337 58 58 ASP HB3 H 3.042 . 2 338 58 58 ASP C C 175.300 . 1 339 58 58 ASP CA C 50.210 . 1 340 58 58 ASP CB C 37.210 . 1 341 58 58 ASP N N 114.100 . 1 342 59 59 GLY H H 7.568 . 1 343 59 59 GLY HA2 H 3.858 . 2 344 59 59 GLY HA3 H 3.858 . 2 345 59 59 GLY C C 172.500 . 1 346 59 59 GLY CA C 44.590 . 1 347 59 59 GLY N N 108.500 . 1 348 60 60 ASN H H 8.435 . 1 349 60 60 ASN HA H 4.551 . 1 350 60 60 ASN HB2 H 3.047 . 2 351 60 60 ASN HB3 H 3.047 . 2 352 60 60 ASN C C 174.800 . 1 353 60 60 ASN CA C 51.150 . 1 354 60 60 ASN CB C 37.800 . 1 355 60 60 ASN N N 120.900 . 1 356 61 61 GLY H H 10.570 . 1 357 61 61 GLY HA2 H 4.387 . 2 358 61 61 GLY HA3 H 3.676 . 2 359 61 61 GLY C C 171.100 . 1 360 61 61 GLY CA C 42.810 . 1 361 61 61 GLY N N 113.100 . 1 362 62 62 THR H H 8.179 . 1 363 62 62 THR HA H 4.774 . 1 364 62 62 THR HB H 4.016 . 1 365 62 62 THR C C 170.600 . 1 366 62 62 THR CA C 56.790 . 1 367 62 62 THR CB C 69.070 . 1 368 62 62 THR N N 112.300 . 1 369 63 63 ILE H H 8.722 . 1 370 63 63 ILE HA H 5.174 . 1 371 63 63 ILE HB H 2.020 . 1 372 63 63 ILE C C 173.000 . 1 373 63 63 ILE CA C 56.780 . 1 374 63 63 ILE CB C 36.760 . 1 375 63 63 ILE N N 122.200 . 1 376 64 64 ASP H H 8.909 . 1 377 64 64 ASP HA H 5.435 . 1 378 64 64 ASP HB2 H 2.821 . 2 379 64 64 ASP HB3 H 3.075 . 2 380 64 64 ASP CA C 49.450 . 1 381 64 64 ASP CB C 39.630 . 1 382 64 64 ASP N N 128.400 . 1 383 65 65 PHE H H 8.925 . 1 384 65 65 PHE CA C 60.540 . 1 385 65 65 PHE N N 118.700 . 1 386 67 67 GLU C C 176.600 . 1 387 67 67 GLU CA C 56.240 . 1 388 68 68 PHE H H 8.721 . 1 389 68 68 PHE C C 174.500 . 1 390 68 68 PHE N N 123.700 . 1 391 69 69 LEU H H 8.295 . 1 392 69 69 LEU N N 118.400 . 1 393 70 70 THR CA C 64.150 . 1 394 70 70 THR CB C 66.210 . 1 395 71 71 MET H H 7.754 . 1 396 71 71 MET N N 121.900 . 1 397 72 72 MET HA H 3.998 . 1 398 72 72 MET HB2 H 2.270 . 2 399 72 72 MET HB3 H 2.270 . 2 400 72 72 MET CA C 53.900 . 1 401 72 72 MET CB C 27.190 . 1 402 73 73 ALA H H 8.104 . 1 403 73 73 ALA HA H 4.010 . 1 404 73 73 ALA HB H 1.369 . 1 405 73 73 ALA C C 177.300 . 1 406 73 73 ALA CA C 52.130 . 1 407 73 73 ALA CB C 15.620 . 1 408 73 73 ALA N N 120.200 . 1 409 74 74 ARG H H 7.611 . 1 410 74 74 ARG HB2 H 2.093 . 2 411 74 74 ARG HB3 H 2.093 . 2 412 74 74 ARG C C 175.800 . 1 413 74 74 ARG CA C 56.620 . 1 414 74 74 ARG CB C 26.640 . 1 415 74 74 ARG N N 116.800 . 1 416 75 75 LYS H H 7.674 . 1 417 75 75 LYS N N 119.500 . 1 418 76 76 MET HA H 4.312 . 1 419 76 76 MET C C 173.900 . 1 420 77 77 LYS H H 7.769 . 1 421 77 77 LYS N N 119.900 . 1 422 78 78 ASP HB2 H 2.736 . 2 423 78 78 ASP HB3 H 2.736 . 2 424 78 78 ASP C C 173.900 . 1 425 78 78 ASP CA C 52.040 . 1 426 78 78 ASP CB C 38.470 . 1 427 79 79 THR H H 8.140 . 1 428 79 79 THR C C 172.200 . 1 429 79 79 THR N N 116.200 . 1 430 80 80 ASP H H 8.469 . 1 431 80 80 ASP C C 174.000 . 1 432 80 80 ASP CB C 37.510 . 1 433 80 80 ASP N N 122.400 . 1 434 81 81 SER H H 8.543 . 1 435 81 81 SER N N 118.600 . 1 436 82 82 GLU HB2 H 2.050 . 2 437 82 82 GLU HB3 H 2.050 . 2 438 82 82 GLU C C 175.600 . 1 439 82 82 GLU CA C 56.080 . 1 440 82 82 GLU CB C 26.740 . 1 441 83 83 GLU H H 8.371 . 1 442 83 83 GLU HA H 4.027 . 1 443 83 83 GLU HB2 H 2.032 . 2 444 83 83 GLU HB3 H 2.032 . 2 445 83 83 GLU C C 176.200 . 1 446 83 83 GLU CA C 57.190 . 1 447 83 83 GLU CB C 26.850 . 1 448 83 83 GLU N N 119.400 . 1 449 84 84 GLU H H 8.050 . 1 450 84 84 GLU HB2 H 2.146 . 2 451 84 84 GLU HB3 H 2.146 . 2 452 84 84 GLU CA C 56.560 . 1 453 84 84 GLU CB C 26.750 . 1 454 84 84 GLU N N 118.700 . 1 455 85 85 ILE H H 8.008 . 1 456 85 85 ILE C C 175.800 . 1 457 85 85 ILE CA C 62.740 . 1 458 85 85 ILE N N 122.100 . 1 459 86 86 ARG H H 8.526 . 1 460 86 86 ARG C C 176.700 . 1 461 86 86 ARG CA C 59.830 . 1 462 86 86 ARG CB C 35.120 . 1 463 86 86 ARG N N 121.100 . 1 464 87 87 GLU H H 8.055 . 1 465 87 87 GLU HA H 4.102 . 1 466 87 87 GLU HB2 H 2.267 . 2 467 87 87 GLU HB3 H 2.267 . 2 468 87 87 GLU C C 176.100 . 1 469 87 87 GLU N N 118.400 . 1 470 88 88 ALA H H 7.894 . 1 471 88 88 ALA HA H 4.109 . 1 472 88 88 ALA HB H 1.740 . 1 473 88 88 ALA CA C 52.660 . 1 474 88 88 ALA CB C 15.510 . 1 475 88 88 ALA N N 121.800 . 1 476 89 89 PHE H H 8.513 . 1 477 89 89 PHE CA C 59.510 . 1 478 89 89 PHE N N 118.600 . 1 479 90 90 ARG HA H 3.848 . 1 480 90 90 ARG HB2 H 1.919 . 2 481 90 90 ARG HB3 H 1.919 . 2 482 90 90 ARG C C 175.000 . 1 483 90 90 ARG CA C 56.030 . 1 484 91 91 VAL H H 7.417 . 1 485 91 91 VAL C C 174.900 . 1 486 91 91 VAL CA C 63.080 . 1 487 91 91 VAL N N 118.100 . 1 488 92 92 PHE H H 7.601 . 1 489 92 92 PHE HA H 4.217 . 1 490 92 92 PHE N N 115.500 . 1 491 93 93 ASP H H 7.845 . 1 492 93 93 ASP HB2 H 2.223 . 2 493 93 93 ASP HB3 H 2.223 . 2 494 93 93 ASP C C 174.900 . 1 495 93 93 ASP CA C 49.750 . 1 496 93 93 ASP N N 116.500 . 1 497 94 94 LYS H H 7.725 . 1 498 94 94 LYS HA H 3.899 . 1 499 94 94 LYS HB2 H 1.818 . 2 500 94 94 LYS HB3 H 1.818 . 2 501 94 94 LYS C C 175.600 . 1 502 94 94 LYS CA C 56.140 . 1 503 94 94 LYS CB C 29.860 . 1 504 94 94 LYS N N 125.700 . 1 505 95 95 ASP H H 8.200 . 1 506 95 95 ASP HA H 4.556 . 1 507 95 95 ASP HB2 H 3.080 . 2 508 95 95 ASP HB3 H 3.080 . 2 509 95 95 ASP C C 175.100 . 1 510 95 95 ASP CA C 50.37 . 1 511 95 95 ASP N N 114.200 . 1 512 96 96 GLY H H 7.764 . 1 513 96 96 GLY HA2 H 3.830 . 2 514 96 96 GLY HA3 H 3.830 . 2 515 96 96 GLY C C 172.500 . 1 516 96 96 GLY CA C 44.500 . 1 517 96 96 GLY N N 109.300 . 1 518 97 97 ASN H H 8.362 . 1 519 97 97 ASN HA H 4.595 . 1 520 97 97 ASN HB2 H 3.298 . 2 521 97 97 ASN HB3 H 3.298 . 2 522 97 97 ASN C C 173.400 . 1 523 97 97 ASN CA C 50.040 . 1 524 97 97 ASN N N 119.700 . 1 525 98 98 GLY H H 10.560 . 1 526 98 98 GLY HA3 H 4.021 . 2 527 98 98 GLY CA C 42.410 . 1 528 98 98 GLY N N 112.900 . 1 529 99 99 TYR H H 7.665 . 1 530 99 99 TYR HA H 5.063 . 1 531 99 99 TYR HB2 H 2.508 . 2 532 99 99 TYR HB3 H 2.508 . 2 533 99 99 TYR C C 172.100 . 1 534 99 99 TYR CA C 53.550 . 1 535 99 99 TYR CB C 40.250 . 1 536 99 99 TYR N N 116.300 . 1 537 100 100 ILE H H 10.130 . 1 538 100 100 ILE HA H 4.646 . 1 539 100 100 ILE HB H 1.837 . 1 540 100 100 ILE C C 172.700 . 1 541 100 100 ILE CA C 58.620 . 1 542 100 100 ILE N N 127.500 . 1 543 101 101 SER H H 8.959 . 1 544 101 101 SER HA H 4.409 . 1 545 101 101 SER HB2 H 4.855 . 2 546 101 101 SER HB3 H 4.855 . 2 547 101 101 SER CB C 64.190 . 1 548 101 101 SER N N 123.800 . 1 549 102 102 ALA H H 9.255 . 1 550 102 102 ALA HA H 3.888 . 1 551 102 102 ALA HB H 1.455 . 1 552 102 102 ALA CA C 53.270 . 1 553 102 102 ALA CB C 15.580 . 1 554 102 102 ALA N N 123.100 . 1 555 103 103 ALA H H 8.215 . 1 556 103 103 ALA HB H 1.494 . 1 557 103 103 ALA C C 178.500 . 1 558 103 103 ALA CA C 52.720 . 1 559 103 103 ALA CB C 15.390 . 1 560 103 103 ALA N N 118.400 . 1 561 104 104 GLU H H 7.785 . 1 562 104 104 GLU C C 176.800 . 1 563 104 104 GLU CA C 57.560 . 1 564 104 104 GLU CB C 26.460 . 1 565 104 104 GLU N N 119.400 . 1 566 105 105 LEU H H 8.569 . 1 567 105 105 LEU HA H 4.177 . 1 568 105 105 LEU HB2 H 1.881 . 2 569 105 105 LEU HB3 H 1.881 . 2 570 105 105 LEU C C 175.800 . 1 571 105 105 LEU CA C 56.000 . 1 572 105 105 LEU CB C 39.370 . 1 573 105 105 LEU N N 119.900 . 1 574 106 106 ARG H H 8.725 . 1 575 106 106 ARG N N 117.900 . 1 576 107 107 HIS HB2 H 3.259 . 2 577 107 107 HIS HB3 H 3.259 . 2 578 108 108 VAL H H 7.934 . 1 579 108 108 VAL CA C 64.070 . 1 580 108 108 VAL N N 118.900 . 1 581 109 109 MET H H 8.346 . 1 582 109 109 MET HB2 H 3.498 . 2 583 109 109 MET HB3 H 3.498 . 2 584 109 109 MET N N 116.900 . 1 585 110 110 THR H H 8.195 . 1 586 110 110 THR HA H 4.291 . 1 587 110 110 THR C C 175.800 . 1 588 110 110 THR CA C 63.870 . 1 589 110 110 THR N N 115.200 . 1 590 111 111 ASN H H 7.857 . 1 591 111 111 ASN HA H 4.397 . 1 592 111 111 ASN HB2 H 2.740 . 2 593 111 111 ASN HB3 H 2.740 . 2 594 111 111 ASN C C 173.900 . 1 595 111 111 ASN CB C 35.730 . 1 596 111 111 ASN N N 123.300 . 1 597 112 112 LEU H H 7.838 . 1 598 112 112 LEU HA H 4.227 . 1 599 112 112 LEU HB2 H 1.884 . 2 600 112 112 LEU HB3 H 1.884 . 2 601 112 112 LEU C C 174.500 . 1 602 112 112 LEU CA C 52.370 . 1 603 112 112 LEU CB C 39.960 . 1 604 112 112 LEU N N 119.200 . 1 605 113 113 GLY H H 7.730 . 1 606 113 113 GLY HA2 H 4.292 . 2 607 113 113 GLY HA3 H 3.666 . 2 608 113 113 GLY C C 171.800 . 1 609 113 113 GLY CA C 42.560 . 1 610 113 113 GLY N N 105.800 . 1 611 114 114 GLU H H 7.957 . 1 612 114 114 GLU HA H 4.444 . 1 613 114 114 GLU HB2 H 1.866 . 2 614 114 114 GLU HB3 H 1.866 . 2 615 114 114 GLU C C 172.400 . 1 616 114 114 GLU N N 121.400 . 1 617 115 115 LYS H H 8.522 . 1 618 115 115 LYS HB2 H 1.700 . 2 619 115 115 LYS HB3 H 1.700 . 2 620 115 115 LYS C C 172.800 . 1 621 115 115 LYS CA C 52.810 . 1 622 115 115 LYS CB C 29.280 . 1 623 115 115 LYS N N 125.500 . 1 624 116 116 LEU H H 8.056 . 1 625 116 116 LEU HA H 4.766 . 1 626 116 116 LEU HB2 H 1.494 . 2 627 116 116 LEU HB3 H 1.494 . 2 628 116 116 LEU C C 175.400 . 1 629 116 116 LEU CA C 51.300 . 1 630 116 116 LEU CB C 42.110 . 1 631 116 116 LEU N N 125.200 . 1 632 117 117 THR H H 9.162 . 1 633 117 117 THR HA H 4.457 . 1 634 117 117 THR C C 172.800 . 1 635 117 117 THR CA C 57.910 . 1 636 117 117 THR CB C 68.480 . 1 637 117 117 THR N N 114.600 . 1 638 118 118 ASP H H 8.849 . 1 639 118 118 ASP HA H 4.190 . 1 640 118 118 ASP HB2 H 2.726 . 2 641 118 118 ASP HB3 H 2.726 . 2 642 118 118 ASP C C 175.900 . 1 643 118 118 ASP CA C 55.390 . 1 644 118 118 ASP CB C 37.070 . 1 645 118 118 ASP N N 121.000 . 1 646 119 119 GLU H H 8.609 . 1 647 119 119 GLU HA H 4.058 . 1 648 119 119 GLU HB2 H 1.961 . 2 649 119 119 GLU HB3 H 1.961 . 2 650 119 119 GLU C C 176.500 . 1 651 119 119 GLU CA C 57.370 . 1 652 119 119 GLU CB C 26.440 . 1 653 119 119 GLU N N 119.000 . 1 654 120 120 GLU H H 7.708 . 1 655 120 120 GLU CA C 56.700 . 1 656 120 120 GLU N N 120.400 . 1 657 121 121 VAL H H 8.062 . 1 658 121 121 VAL HA H 3.621 . 1 659 121 121 VAL CA C 63.380 . 1 660 121 121 VAL CB C 28.700 . 1 661 121 121 VAL N N 121.100 . 1 662 122 122 ASP H H 8.042 . 1 663 122 122 ASP HA H 4.299 . 1 664 122 122 ASP HB2 H 2.699 . 2 665 122 122 ASP HB3 H 2.699 . 2 666 122 122 ASP C C 176.400 . 1 667 122 122 ASP CA C 54.910 . 1 668 122 122 ASP CB C 37.960 . 1 669 122 122 ASP N N 119.600 . 1 670 123 123 GLU H H 7.957 . 1 671 123 123 GLU HA H 4.096 . 1 672 123 123 GLU HB2 H 2.684 . 2 673 123 123 GLU HB3 H 2.684 . 2 674 123 123 GLU C C 175.500 . 1 675 123 123 GLU N N 119.200 . 1 676 124 124 MET H H 7.785 . 1 677 124 124 MET N N 119.400 . 1 678 125 125 ILE HA H 3.519 . 1 679 125 125 ILE C C 175.600 . 1 680 125 125 ILE CA C 60.850 . 1 681 126 126 ARG H H 8.317 . 1 682 126 126 ARG CA C 56.740 . 1 683 126 126 ARG N N 117.100 . 1 684 127 127 GLU H H 7.908 . 1 685 127 127 GLU HA H 3.977 . 1 686 127 127 GLU HB2 H 2.080 . 2 687 127 127 GLU HB3 H 2.080 . 2 688 127 127 GLU C C 174.500 . 1 689 127 127 GLU CA C 56.080 . 1 690 127 127 GLU CB C 26.880 . 1 691 127 127 GLU N N 116.400 . 1 692 128 128 ALA H H 7.204 . 1 693 128 128 ALA HA H 4.513 . 1 694 128 128 ALA HB H 1.403 . 1 695 128 128 ALA CA C 49.170 . 1 696 128 128 ALA CB C 19.390 . 1 697 128 128 ALA N N 118.400 . 1 698 129 129 ASP H H 7.926 . 1 699 129 129 ASP HA H 4.492 . 1 700 129 129 ASP HB2 H 2.474 . 2 701 129 129 ASP HB3 H 2.800 . 2 702 129 129 ASP CA C 51.660 . 1 703 129 129 ASP CB C 38.120 . 1 704 129 129 ASP N N 117.900 . 1 705 130 130 ILE H H 8.281 . 1 706 130 130 ILE HA H 3.904 . 1 707 130 130 ILE HB H 1.995 . 1 708 130 130 ILE C C 175.200 . 1 709 130 130 ILE CA C 60.890 . 1 710 130 130 ILE CB C 36.080 . 1 711 130 130 ILE N N 128.000 . 1 712 131 131 ASP H H 8.341 . 1 713 131 131 ASP N N 116.800 . 1 714 132 132 GLY H H 7.607 . 1 715 132 132 GLY HA2 H 3.985 . 2 716 132 132 GLY HA3 H 3.985 . 2 717 132 132 GLY C C 172.600 . 1 718 132 132 GLY CA C 44.840 . 1 719 132 132 GLY N N 108.600 . 1 720 133 133 ASP H H 8.342 . 1 721 133 133 ASP HA H 4.470 . 1 722 133 133 ASP HB2 H 2.947 . 2 723 133 133 ASP HB3 H 2.947 . 2 724 133 133 ASP CA C 51.050 . 1 725 133 133 ASP CB C 37.530 . 1 726 133 133 ASP N N 120.800 . 1 727 134 134 GLY H H 10.230 . 1 728 134 134 GLY HA2 H 4.035 . 2 729 134 134 GLY HA3 H 3.404 . 2 730 134 134 GLY C C 170.200 . 1 731 134 134 GLY CA C 43.210 . 1 732 134 134 GLY N N 112.700 . 1 733 135 135 GLN H H 7.954 . 1 734 135 135 GLN HA H 4.897 . 1 735 135 135 GLN HB2 H 3.479 . 2 736 135 135 GLN HB3 H 3.479 . 2 737 135 135 GLN CA C 50.570 . 1 738 135 135 GLN CB C 29.960 . 1 739 135 135 GLN N N 115.400 . 1 740 136 136 VAL H H 9.103 . 1 741 136 136 VAL HA H 5.199 . 1 742 136 136 VAL HB H 2.263 . 1 743 136 136 VAL CA C 59.060 . 1 744 136 136 VAL N N 125.600 . 1 745 137 137 ASN H H 9.567 . 1 746 137 137 ASN HB2 H 3.555 . 2 747 137 137 ASN HB3 H 3.555 . 2 748 137 137 ASN C C 172.200 . 1 749 137 137 ASN CA C 49.350 . 1 750 137 137 ASN CB C 33.430 . 1 751 137 137 ASN N N 129.100 . 1 752 138 138 TYR H H 8.301 . 1 753 138 138 TYR HA H 3.971 . 1 754 138 138 TYR HB2 H 2.579 . 2 755 138 138 TYR HB3 H 2.579 . 2 756 138 138 TYR C C 173.500 . 1 757 138 138 TYR N N 118.100 . 1 758 139 139 GLU H H 8.043 . 1 759 139 139 GLU HA H 3.656 . 1 760 139 139 GLU HB2 H 2.012 . 2 761 139 139 GLU HB3 H 2.012 . 2 762 139 139 GLU C C 177.700 . 1 763 139 139 GLU CA C 57.700 . 1 764 139 139 GLU CB C 26.420 . 1 765 139 139 GLU N N 118.600 . 1 766 140 140 GLU H H 8.727 . 1 767 140 140 GLU C C 176.200 . 1 768 141 141 PHE H H 8.973 . 1 769 141 141 PHE CA C 58.840 . 1 770 141 141 PHE CB C 37.470 . 1 771 141 141 PHE N N 123.700 . 1 772 142 142 VAL H H 8.553 . 1 773 142 142 VAL CA C 64.290 . 1 774 142 142 VAL N N 118.800 . 1 775 143 143 GLN H H 7.407 . 1 776 143 143 GLN N N 118.200 . 1 777 145 145 MET C C 173.900 . 1 778 145 145 MET CA C 53.450 . 1 779 146 146 THR H H 7.502 . 1 780 146 146 THR HA H 4.369 . 1 781 146 146 THR HB H 4.228 . 1 782 146 146 THR C C 171.600 . 1 783 146 146 THR CA C 59.290 . 1 784 146 146 THR N N 108.800 . 1 785 147 147 ALA H H 7.859 . 1 786 147 147 ALA HA H 4.303 . 1 787 147 147 ALA HB H 1.368 . 1 788 147 147 ALA CA C 50.160 . 1 789 147 147 ALA CB C 16.640 . 1 790 147 147 ALA N N 126.200 . 1 791 148 148 LYS H H 7.789 . 1 792 148 148 LYS CA C 54.960 . 1 793 148 148 LYS N N 125.700 . 1 stop_ save_