data_30062 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Derived Structure of Ca2+ Calmodulin bound to Phosphorylated PSD-95 ; _BMRB_accession_number 30062 _BMRB_flat_file_name bmr30062.str _Entry_type original _Submission_date 2016-04-06 _Accession_date 2016-04-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Turner M. L. . 2 Ames J. B. . 3 Anderson D. E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 523 "13C chemical shifts" 440 "15N chemical shifts" 143 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-07-19 update BMRB 'update entry citation' 2017-10-19 original author 'original release' stop_ _Original_release_date 2016-04-21 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Ca2+/calmodulin binding to PSD-95 mediates homeostatic synaptic scaling down ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29118000 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chowdhury Dhrubajyoti . . 2 Turner Matthew . . 3 Patriarchi Tommaso . . 4 Hergarden Anne C. . 5 Anderson David . . 6 Zhang Yonghong . . 7 Sun Junqing . . 8 Chen Chao-Yin Y. . 9 Ames James B. . 10 Hell Johannes W. . stop_ _Journal_abbreviation 'EMBO J.' _Journal_name_full 'The EMBO journal' _Journal_volume 37 _Journal_issue 1 _Journal_ISSN 1460-2075 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 122 _Page_last 138 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Calmodulin, Disks large homolog 4' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 'CALCIUM ION' $entity_CA 'PHOSPHOTHREONINE, 1' $entity_TPO 'PHOSPHOTHREONINE, 2' $entity_TPO 'PHOSPHOTHREONINE, 3' $entity_TPO 'PHOSPHOTHREONINE, 4' $entity_TPO stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Calmodulin _Molecular_mass 16721.350 _Mol_thiol_state 'not present' _Details 'Xenopus laevis Calmodulin' ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 ASP 3 3 GLN 4 4 LEU 5 5 THR 6 6 GLU 7 7 GLU 8 8 GLN 9 9 ILE 10 10 ALA 11 11 GLU 12 12 PHE 13 13 LYS 14 14 GLU 15 15 ALA 16 16 PHE 17 17 SER 18 18 LEU 19 19 PHE 20 20 ASP 21 21 LYS 22 22 ASP 23 23 GLY 24 24 ASP 25 25 GLY 26 26 THR 27 27 ILE 28 28 THR 29 29 THR 30 30 LYS 31 31 GLU 32 32 LEU 33 33 GLY 34 34 THR 35 35 VAL 36 36 MET 37 37 ARG 38 38 SER 39 39 LEU 40 40 GLY 41 41 GLN 42 42 ASN 43 43 PRO 44 44 THR 45 45 GLU 46 46 ALA 47 47 GLU 48 48 LEU 49 49 GLN 50 50 ASP 51 51 MET 52 52 ILE 53 53 ASN 54 54 GLU 55 55 VAL 56 56 ASP 57 57 ALA 58 58 ASP 59 59 GLY 60 60 ASN 61 61 GLY 62 62 THR 63 63 ILE 64 64 ASP 65 65 PHE 66 66 PRO 67 67 GLU 68 68 PHE 69 69 LEU 70 70 THR 71 71 MET 72 72 MET 73 73 ALA 74 74 ARG 75 75 LYS 76 76 MET 77 77 LYS 78 78 ASP 79 79 THR 80 80 ASP 81 81 SER 82 82 GLU 83 83 GLU 84 84 GLU 85 85 ILE 86 86 ARG 87 87 GLU 88 88 ALA 89 89 PHE 90 90 ARG 91 91 VAL 92 92 PHE 93 93 ASP 94 94 LYS 95 95 ASP 96 96 GLY 97 97 ASN 98 98 GLY 99 99 TYR 100 100 ILE 101 101 SER 102 102 ALA 103 103 ALA 104 104 GLU 105 105 LEU 106 106 ARG 107 107 HIS 108 108 VAL 109 109 MET 110 110 THR 111 111 ASN 112 112 LEU 113 113 GLY 114 114 GLU 115 115 LYS 116 116 LEU 117 117 THR 118 118 ASP 119 119 GLU 120 120 GLU 121 121 VAL 122 122 ASP 123 123 GLU 124 124 MET 125 125 ILE 126 126 ARG 127 127 GLU 128 128 ALA 129 129 ASP 130 130 ILE 131 131 ASP 132 132 GLY 133 133 ASP 134 134 GLY 135 135 GLN 136 136 VAL 137 137 ASN 138 138 TYR 139 139 GLU 140 140 GLU 141 141 PHE 142 142 VAL 143 143 GLN 144 144 MET 145 145 MET 146 146 THR 147 147 ALA 148 148 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type NON-POLYMER _Name_common '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_ save_ save_TPO _Saveframe_category ligand _Mol_type 'L-PEPTIDE LINKING' _Name_common PHOSPHOTHREONINE _BMRB_code TPO _PDB_code TPO _Molecular_mass 199.099 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? CG2 CG2 C . 0 . ? OG1 OG1 O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB HB H . 0 . ? HG21 HG21 H . 0 . ? HG22 HG22 H . 0 . ? HG23 HG23 H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? HXT HXT 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 N CA ? ? SING N H ? ? SING N H2 ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB CG2 ? ? SING CB OG1 ? ? SING CB HB ? ? SING CG2 HG21 ? ? SING CG2 HG22 ? ? SING CG2 HG23 ? ? SING OG1 P ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 'African clawed frog' 8355 Eukaryota Metazoa Xenopus laevis 'calm1, calm2' 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '500 uM [U-100% 13C; U-100% 15N] Calmodulin, 750 uM PSD-95 phosphorylated, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 500 uM '[U-100% 13C; U-100% 15N]' 'PSD-95 phosphorylated' 750 uM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name HADDOCK _Version . loop_ _Vendor _Address _Electronic_address Bonvin . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_IPAP_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'IPAP HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7 . pH pressure 1 . atm temperature 318 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_3 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' 'IPAP HSQC' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '3D CBCA(CO)NH' '3D HNCO' '3D HBHA(CO)NH' '3D 1H-13C NOESY aliphatic' '2D 1H-13C HSQC aliphatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ASP HA H 4.470 0.040 1 2 2 2 ASP HB2 H 2.403 0.040 2 3 2 2 ASP HB3 H 2.503 0.040 2 4 2 2 ASP C C 175.630 0.200 1 5 2 2 ASP CA C 54.745 0.200 1 6 2 2 ASP CB C 41.500 0.200 1 7 3 3 GLN H H 8.287 0.001 1 8 3 3 GLN HA H 4.225 0.040 1 9 3 3 GLN HB2 H 1.872 0.040 2 10 3 3 GLN HB3 H 1.920 0.040 2 11 3 3 GLN C C 175.599 0.200 1 12 3 3 GLN CA C 55.603 0.079 1 13 3 3 GLN CB C 29.852 0.020 1 14 3 3 GLN N N 120.104 0.023 1 15 4 4 LEU HA H 4.507 0.040 1 16 4 4 LEU HB2 H 1.341 0.040 2 17 4 4 LEU HB3 H 1.558 0.040 2 18 4 4 LEU H H 8.229 0.001 1 19 4 4 LEU C C 177.609 0.200 1 20 4 4 LEU CA C 54.514 0.010 1 21 4 4 LEU CB C 43.654 0.007 1 22 4 4 LEU N N 123.461 0.020 1 23 5 5 THR H H 8.655 0.001 1 24 5 5 THR HA H 4.312 0.040 1 25 5 5 THR HB H 4.622 0.040 1 26 5 5 THR C C 175.482 0.200 1 27 5 5 THR CA C 60.522 0.036 1 28 5 5 THR CB C 71.213 0.052 1 29 5 5 THR N N 113.490 0.013 1 30 6 6 GLU H H 8.989 0.001 1 31 6 6 GLU HA H 3.812 0.040 1 32 6 6 GLU HB2 H 1.905 0.040 2 33 6 6 GLU HB3 H 1.901 0.040 2 34 6 6 GLU C C 179.456 0.200 1 35 6 6 GLU CA C 60.180 0.010 1 36 6 6 GLU CB C 29.282 0.011 1 37 6 6 GLU N N 120.946 0.017 1 38 7 7 GLU H H 8.695 0.003 1 39 7 7 GLU HA H 3.898 0.040 1 40 7 7 GLU HB2 H 1.842 0.040 2 41 7 7 GLU HB3 H 1.842 0.040 2 42 7 7 GLU C C 179.053 0.200 1 43 7 7 GLU CA C 60.106 0.057 1 44 7 7 GLU CB C 29.160 0.012 1 45 7 7 GLU N N 119.900 0.063 1 46 8 8 GLN H H 7.687 0.002 1 47 8 8 GLN HA H 3.688 0.040 1 48 8 8 GLN HB2 H 1.473 0.040 2 49 8 8 GLN HB3 H 2.192 0.040 2 50 8 8 GLN C C 178.190 0.200 1 51 8 8 GLN CA C 58.632 0.036 1 52 8 8 GLN CB C 29.206 0.014 1 53 8 8 GLN N N 120.530 0.018 1 54 9 9 ILE H H 8.345 0.001 1 55 9 9 ILE HA H 3.525 0.040 1 56 9 9 ILE HB H 1.825 0.040 1 57 9 9 ILE HD1 H 0.874 0.040 1 58 9 9 ILE C C 177.782 0.200 1 59 9 9 ILE CA C 66.318 0.005 1 60 9 9 ILE CB C 37.740 0.015 1 61 9 9 ILE CD1 C 13.011 0.000 1 62 9 9 ILE N N 119.909 0.038 1 63 10 10 ALA H H 7.973 0.001 1 64 10 10 ALA HA H 3.962 0.040 1 65 10 10 ALA HB H 1.364 0.040 1 66 10 10 ALA C C 181.052 0.200 1 67 10 10 ALA CA C 55.642 0.025 1 68 10 10 ALA CB C 17.953 0.004 1 69 10 10 ALA N N 121.730 0.014 1 70 11 11 GLU H H 7.778 0.002 1 71 11 11 GLU HA H 4.002 0.040 1 72 11 11 GLU HB2 H 1.835 0.040 2 73 11 11 GLU HB3 H 1.899 0.040 2 74 11 11 GLU C C 180.462 0.200 1 75 11 11 GLU CA C 59.391 0.036 1 76 11 11 GLU CB C 29.227 0.001 1 77 11 11 GLU N N 119.937 0.037 1 78 12 12 PHE H H 8.592 0.001 1 79 12 12 PHE HA H 4.868 0.040 1 80 12 12 PHE HB2 H 3.315 0.040 2 81 12 12 PHE HB3 H 3.298 0.040 2 82 12 12 PHE C C 178.733 0.200 1 83 12 12 PHE CA C 59.092 0.039 1 84 12 12 PHE CB C 37.716 0.008 1 85 12 12 PHE N N 120.486 0.023 1 86 13 13 LYS H H 9.152 0.001 1 87 13 13 LYS HA H 3.861 0.040 1 88 13 13 LYS HB2 H 1.794 0.040 2 89 13 13 LYS HB3 H 1.791 0.040 2 90 13 13 LYS C C 179.303 0.200 1 91 13 13 LYS CA C 60.145 0.055 1 92 13 13 LYS CB C 31.962 0.011 1 93 13 13 LYS N N 124.032 0.020 1 94 14 14 GLU H H 7.791 0.001 1 95 14 14 GLU HA H 3.992 0.040 1 96 14 14 GLU HB2 H 2.071 0.040 2 97 14 14 GLU HB3 H 2.073 0.040 2 98 14 14 GLU C C 179.566 0.200 1 99 14 14 GLU CA C 59.609 0.053 1 100 14 14 GLU CB C 29.194 0.007 1 101 14 14 GLU N N 120.847 0.051 1 102 15 15 ALA H H 7.938 0.002 1 103 15 15 ALA HA H 4.138 0.040 1 104 15 15 ALA HB H 1.827 0.040 1 105 15 15 ALA C C 178.864 0.200 1 106 15 15 ALA CA C 55.372 0.002 1 107 15 15 ALA CB C 18.389 0.005 1 108 15 15 ALA N N 123.127 0.014 1 109 16 16 PHE H H 8.732 0.001 1 110 16 16 PHE HA H 3.121 0.040 1 111 16 16 PHE HB2 H 2.747 0.040 2 112 16 16 PHE HB3 H 2.739 0.040 2 113 16 16 PHE C C 177.570 0.200 1 114 16 16 PHE CA C 61.987 0.018 1 115 16 16 PHE CB C 39.728 0.012 1 116 16 16 PHE N N 119.462 0.027 1 117 17 17 SER H H 7.980 0.001 1 118 17 17 SER HA H 3.935 0.040 1 119 17 17 SER HB2 H 3.867 0.040 2 120 17 17 SER HB3 H 3.891 0.040 2 121 17 17 SER C C 174.700 0.200 1 122 17 17 SER CA C 61.519 0.003 1 123 17 17 SER CB C 63.424 0.021 1 124 17 17 SER N N 113.504 0.019 1 125 18 18 LEU H H 7.419 0.001 1 126 18 18 LEU HA H 3.816 0.040 1 127 18 18 LEU HB2 H 1.520 0.040 2 128 18 18 LEU HB3 H 1.514 0.040 2 129 18 18 LEU C C 177.686 0.200 1 130 18 18 LEU CA C 57.325 0.049 1 131 18 18 LEU CB C 41.376 0.036 1 132 18 18 LEU N N 121.464 0.023 1 133 19 19 PHE H H 7.148 0.004 1 134 19 19 PHE HA H 4.052 0.040 1 135 19 19 PHE HB2 H 2.502 0.040 2 136 19 19 PHE HB3 H 2.506 0.040 2 137 19 19 PHE C C 176.619 0.200 1 138 19 19 PHE CA C 59.180 0.059 1 139 19 19 PHE CB C 41.148 0.002 1 140 19 19 PHE N N 114.702 0.059 1 141 20 20 ASP H H 7.805 0.001 1 142 20 20 ASP HA H 4.414 0.040 1 143 20 20 ASP HB2 H 1.349 0.040 2 144 20 20 ASP HB3 H 2.195 0.040 2 145 20 20 ASP C C 177.174 0.200 1 146 20 20 ASP CA C 52.472 0.006 1 147 20 20 ASP CB C 39.191 0.007 1 148 20 20 ASP N N 117.789 0.023 1 149 21 21 LYS H H 7.670 0.001 1 150 21 21 LYS HA H 3.821 0.040 1 151 21 21 LYS HB2 H 1.750 0.040 2 152 21 21 LYS HB3 H 1.752 0.040 2 153 21 21 LYS C C 178.215 0.200 1 154 21 21 LYS CA C 58.448 0.022 1 155 21 21 LYS CB C 32.603 0.200 1 156 21 21 LYS N N 124.602 0.021 1 157 22 22 ASP H H 8.095 0.001 1 158 22 22 ASP HA H 4.442 0.040 1 159 22 22 ASP HB2 H 2.460 0.040 2 160 22 22 ASP HB3 H 2.904 0.040 2 161 22 22 ASP C C 177.719 0.200 1 162 22 22 ASP CA C 52.901 0.005 1 163 22 22 ASP CB C 39.570 0.006 1 164 22 22 ASP N N 114.579 0.007 1 165 23 23 GLY H H 7.672 0.001 1 166 23 23 GLY HA2 H 3.709 0.040 2 167 23 23 GLY HA3 H 3.724 0.040 2 168 23 23 GLY C C 175.174 0.200 1 169 23 23 GLY CA C 47.313 0.016 1 170 23 23 GLY N N 109.739 0.017 1 171 24 24 ASP H H 8.429 0.001 1 172 24 24 ASP HA H 4.358 0.040 1 173 24 24 ASP HB2 H 2.307 0.040 2 174 24 24 ASP HB3 H 2.889 0.040 2 175 24 24 ASP C C 177.455 0.200 1 176 24 24 ASP CA C 53.852 0.048 1 177 24 24 ASP CB C 40.490 0.013 1 178 24 24 ASP N N 121.306 0.021 1 179 25 25 GLY H H 10.566 0.003 1 180 25 25 GLY HA2 H 3.556 0.040 2 181 25 25 GLY HA3 H 4.220 0.040 2 182 25 25 GLY C C 173.757 0.200 1 183 25 25 GLY CA C 45.539 0.013 1 184 25 25 GLY N N 113.573 0.019 1 185 26 26 THR H H 8.172 0.001 1 186 26 26 THR HA H 5.203 0.040 1 187 26 26 THR HB H 3.701 0.040 1 188 26 26 THR C C 173.108 0.200 1 189 26 26 THR CA C 59.856 0.039 1 190 26 26 THR CB C 72.648 0.009 1 191 26 26 THR N N 113.115 0.006 1 192 27 27 ILE H H 9.810 0.001 1 193 27 27 ILE HA H 4.730 0.040 1 194 27 27 ILE HB H 1.601 0.040 1 195 27 27 ILE C C 176.084 0.200 1 196 27 27 ILE CA C 60.810 0.014 1 197 27 27 ILE CB C 39.772 0.090 1 198 27 27 ILE N N 127.561 0.032 1 199 28 28 THR H H 8.447 0.002 1 200 28 28 THR HA H 4.712 0.040 1 201 28 28 THR HB H 4.658 0.040 1 202 28 28 THR C C 176.721 0.200 1 203 28 28 THR CA C 59.629 0.009 1 204 28 28 THR CB C 72.560 0.037 1 205 28 28 THR N N 116.999 0.016 1 206 29 29 THR H H 9.167 0.001 1 207 29 29 THR HA H 3.648 0.040 1 208 29 29 THR HB H 4.067 0.040 1 209 29 29 THR C C 177.338 0.200 1 210 29 29 THR CA C 66.404 0.020 1 211 29 29 THR CB C 68.012 0.015 1 212 29 29 THR N N 113.087 0.014 1 213 30 30 LYS H H 7.620 0.002 1 214 30 30 LYS HA H 3.985 0.040 1 215 30 30 LYS HB2 H 1.694 0.040 2 216 30 30 LYS HB3 H 1.694 0.040 2 217 30 30 LYS C C 179.926 0.200 1 218 30 30 LYS CA C 59.225 0.024 1 219 30 30 LYS CB C 32.516 0.016 1 220 30 30 LYS N N 121.450 0.016 1 221 31 31 GLU H H 7.688 0.002 1 222 31 31 GLU HA H 3.877 0.040 1 223 31 31 GLU HB2 H 2.259 0.040 2 224 31 31 GLU HB3 H 2.538 0.040 2 225 31 31 GLU C C 179.218 0.200 1 226 31 31 GLU CA C 59.583 0.033 1 227 31 31 GLU CB C 29.720 0.002 1 228 31 31 GLU N N 122.322 0.026 1 229 32 32 LEU H H 8.643 0.002 1 230 32 32 LEU HA H 3.982 0.040 1 231 32 32 LEU HB2 H 1.395 0.040 2 232 32 32 LEU HB3 H 1.684 0.040 2 233 32 32 LEU C C 179.017 0.200 1 234 32 32 LEU CA C 58.378 0.023 1 235 32 32 LEU CB C 42.720 0.016 1 236 32 32 LEU N N 121.024 0.037 1 237 33 33 GLY H H 8.715 0.002 1 238 33 33 GLY HA2 H 3.437 0.040 2 239 33 33 GLY HA3 H 3.831 0.040 2 240 33 33 GLY C C 175.176 0.200 1 241 33 33 GLY CA C 48.424 0.009 1 242 33 33 GLY N N 106.200 0.038 1 243 34 34 THR H H 7.986 0.001 1 244 34 34 THR HA H 3.794 0.040 1 245 34 34 THR HB H 4.218 0.040 1 246 34 34 THR C C 177.093 0.200 1 247 34 34 THR CA C 67.058 0.077 1 248 34 34 THR CB C 68.718 0.052 1 249 34 34 THR N N 118.883 0.008 1 250 35 35 VAL H H 7.640 0.002 1 251 35 35 VAL HA H 3.432 0.040 1 252 35 35 VAL HB H 1.892 0.040 1 253 35 35 VAL HG1 H 0.538 0.040 2 254 35 35 VAL C C 179.011 0.200 1 255 35 35 VAL CA C 66.496 0.036 1 256 35 35 VAL CB C 31.501 0.031 1 257 35 35 VAL CG1 C 20.558 0.200 2 258 35 35 VAL N N 122.760 0.045 1 259 36 36 MET H H 8.428 0.002 1 260 36 36 MET HA H 3.899 0.040 1 261 36 36 MET HE H 2.001 0.040 1 262 36 36 MET CA C 59.435 0.042 1 263 36 36 MET CB C 31.579 0.200 1 264 36 36 MET CE C 17.432 0.200 1 265 36 36 MET N N 118.562 0.030 1 266 37 37 ARG H H 8.619 0.002 1 267 37 37 ARG HA H 4.639 0.040 1 268 37 37 ARG HB2 H 1.815 0.040 2 269 37 37 ARG HB3 H 1.813 0.040 2 270 37 37 ARG C C 181.381 0.200 1 271 37 37 ARG CA C 59.246 0.060 1 272 37 37 ARG CB C 30.025 0.087 1 273 37 37 ARG N N 119.519 0.024 1 274 38 38 SER H H 7.984 0.002 1 275 38 38 SER HA H 4.230 0.040 1 276 38 38 SER HB2 H 3.882 0.040 2 277 38 38 SER HB3 H 3.937 0.040 2 278 38 38 SER C C 174.945 0.200 1 279 38 38 SER CA C 61.640 0.200 1 280 38 38 SER CB C 62.791 0.200 1 281 38 38 SER N N 119.544 0.035 1 282 39 39 LEU H H 7.371 0.002 1 283 39 39 LEU HA H 4.273 0.040 1 284 39 39 LEU HB2 H 1.754 0.040 2 285 39 39 LEU HB3 H 1.753 0.040 2 286 39 39 LEU C C 177.231 0.200 1 287 39 39 LEU CA C 54.582 0.022 1 288 39 39 LEU CB C 41.937 0.047 1 289 39 39 LEU N N 120.778 0.028 1 290 40 40 GLY H H 7.861 0.002 1 291 40 40 GLY HA2 H 3.644 0.040 2 292 40 40 GLY HA3 H 4.102 0.040 2 293 40 40 GLY C C 174.375 0.200 1 294 40 40 GLY CA C 45.625 0.005 1 295 40 40 GLY N N 107.190 0.019 1 296 41 41 GLN H H 7.826 0.001 1 297 41 41 GLN HA H 4.314 0.040 1 298 41 41 GLN HB2 H 1.964 0.040 2 299 41 41 GLN HB3 H 2.007 0.040 2 300 41 41 GLN C C 174.189 0.200 1 301 41 41 GLN CA C 54.408 0.013 1 302 41 41 GLN CB C 30.543 0.200 1 303 41 41 GLN N N 118.805 0.014 1 304 42 42 ASN H H 8.668 0.009 1 305 42 42 ASN CA C 51.222 0.200 1 306 42 42 ASN CB C 39.298 0.200 1 307 42 42 ASN N N 116.924 0.027 1 308 43 43 PRO HA H 4.608 0.040 1 309 43 43 PRO HB2 H 1.812 0.040 2 310 43 43 PRO HB3 H 2.052 0.040 2 311 43 43 PRO C C 177.713 0.200 1 312 43 43 PRO CA C 62.490 0.200 1 313 43 43 PRO CB C 32.064 0.200 1 314 44 44 THR H H 8.721 0.002 1 315 44 44 THR HA H 4.301 0.040 1 316 44 44 THR HB H 4.564 0.040 1 317 44 44 THR C C 175.212 0.200 1 318 44 44 THR CA C 60.556 0.031 1 319 44 44 THR CB C 71.215 0.049 1 320 44 44 THR N N 113.293 0.027 1 321 45 45 GLU H H 8.773 0.001 1 322 45 45 GLU HA H 3.846 0.040 1 323 45 45 GLU HB2 H 1.905 0.040 2 324 45 45 GLU HB3 H 1.902 0.040 2 325 45 45 GLU C C 178.942 0.200 1 326 45 45 GLU CA C 60.153 0.006 1 327 45 45 GLU CB C 29.078 0.006 1 328 45 45 GLU N N 121.225 0.018 1 329 46 46 ALA H H 8.212 0.001 1 330 46 46 ALA HA H 3.949 0.040 1 331 46 46 ALA HB H 1.255 0.040 1 332 46 46 ALA C C 180.159 0.200 1 333 46 46 ALA CA C 55.148 0.014 1 334 46 46 ALA CB C 18.264 0.028 1 335 46 46 ALA N N 121.189 0.026 1 336 47 47 GLU H H 7.666 0.001 1 337 47 47 GLU HA H 3.874 0.040 1 338 47 47 GLU HB2 H 1.776 0.040 2 339 47 47 GLU HB3 H 2.015 0.040 2 340 47 47 GLU C C 180.011 0.200 1 341 47 47 GLU CA C 59.119 0.200 1 342 47 47 GLU CB C 29.843 0.023 1 343 47 47 GLU N N 119.244 0.008 1 344 48 48 LEU H H 8.087 0.003 1 345 48 48 LEU HA H 3.924 0.040 1 346 48 48 LEU HB2 H 1.101 0.040 2 347 48 48 LEU HB3 H 1.921 0.040 2 348 48 48 LEU C C 178.600 0.200 1 349 48 48 LEU CA C 57.948 0.200 1 350 48 48 LEU CB C 42.489 0.007 1 351 48 48 LEU N N 120.502 0.042 1 352 49 49 GLN H H 8.213 0.001 1 353 49 49 GLN HA H 3.666 0.040 1 354 49 49 GLN HB2 H 2.012 0.040 2 355 49 49 GLN HB3 H 2.011 0.040 2 356 49 49 GLN C C 178.479 0.200 1 357 49 49 GLN CA C 58.569 0.200 1 358 49 49 GLN CB C 28.188 0.006 1 359 49 49 GLN N N 118.883 0.015 1 360 50 50 ASP H H 8.086 0.001 1 361 50 50 ASP HA H 4.269 0.040 1 362 50 50 ASP HB2 H 2.524 0.040 2 363 50 50 ASP HB3 H 2.662 0.040 2 364 50 50 ASP C C 178.736 0.200 1 365 50 50 ASP CA C 57.618 0.200 1 366 50 50 ASP CB C 40.422 0.005 1 367 50 50 ASP N N 120.553 0.015 1 368 51 51 MET H H 7.835 0.001 1 369 51 51 MET HA H 3.879 0.040 1 370 51 51 MET HB2 H 1.843 0.040 2 371 51 51 MET HB3 H 2.124 0.040 2 372 51 51 MET HE H 2.065 0.040 1 373 51 51 MET C C 178.793 0.200 1 374 51 51 MET CA C 59.524 0.200 1 375 51 51 MET CB C 33.569 0.200 1 376 51 51 MET CE C 17.437 0.200 1 377 51 51 MET N N 119.772 0.019 1 378 52 52 ILE H H 7.706 0.002 1 379 52 52 ILE HA H 3.377 0.040 1 380 52 52 ILE HB H 1.835 0.040 1 381 52 52 ILE HD1 H 0.736 0.040 1 382 52 52 ILE C C 177.974 0.200 1 383 52 52 ILE CA C 64.525 0.037 1 384 52 52 ILE CB C 37.104 0.044 1 385 52 52 ILE CD1 C 12.443 0.200 1 386 52 52 ILE N N 118.478 0.012 1 387 53 53 ASN H H 8.584 0.001 1 388 53 53 ASN HA H 4.239 0.040 1 389 53 53 ASN HB2 H 2.756 0.040 2 390 53 53 ASN HB3 H 2.809 0.040 2 391 53 53 ASN C C 177.201 0.200 1 392 53 53 ASN CA C 55.909 0.055 1 393 53 53 ASN CB C 38.133 0.011 1 394 53 53 ASN N N 118.437 0.007 1 395 54 54 GLU H H 7.504 0.002 1 396 54 54 GLU HA H 3.883 0.040 1 397 54 54 GLU HB2 H 1.953 0.040 2 398 54 54 GLU HB3 H 1.971 0.040 2 399 54 54 GLU C C 177.399 0.200 1 400 54 54 GLU CA C 58.968 0.013 1 401 54 54 GLU CB C 30.420 0.009 1 402 54 54 GLU N N 116.896 0.016 1 403 55 55 VAL H H 7.213 0.002 1 404 55 55 VAL HA H 4.222 0.040 1 405 55 55 VAL HB H 2.118 0.040 1 406 55 55 VAL C C 175.670 0.200 1 407 55 55 VAL CA C 60.927 0.066 1 408 55 55 VAL CB C 32.738 0.200 1 409 55 55 VAL N N 110.526 0.055 1 410 56 56 ASP H H 7.704 0.001 1 411 56 56 ASP HA H 4.433 0.040 1 412 56 56 ASP HB2 H 2.370 0.040 2 413 56 56 ASP HB3 H 2.591 0.003 2 414 56 56 ASP C C 176.056 0.200 1 415 56 56 ASP CA C 53.964 0.040 1 416 56 56 ASP CB C 40.523 0.005 1 417 56 56 ASP N N 121.842 0.013 1 418 57 57 ALA H H 8.346 0.009 1 419 57 57 ALA HA H 4.076 0.040 1 420 57 57 ALA HB H 1.373 0.040 1 421 57 57 ALA C C 178.707 0.200 1 422 57 57 ALA CA C 54.292 0.142 1 423 57 57 ALA CB C 19.688 0.035 1 424 57 57 ALA N N 132.101 0.038 1 425 58 58 ASP H H 8.209 0.003 1 426 58 58 ASP HA H 4.439 0.040 1 427 58 58 ASP HB2 H 2.497 0.040 2 428 58 58 ASP HB3 H 2.902 0.040 2 429 58 58 ASP C C 177.885 0.200 1 430 58 58 ASP CA C 53.016 0.077 1 431 58 58 ASP CB C 39.847 0.115 1 432 58 58 ASP N N 114.529 0.024 1 433 59 59 GLY H H 7.581 0.001 1 434 59 59 GLY HA2 H 3.703 0.040 2 435 59 59 GLY HA3 H 3.792 0.040 2 436 59 59 GLY C C 175.002 0.200 1 437 59 59 GLY CA C 47.323 0.035 1 438 59 59 GLY N N 108.988 0.025 1 439 60 60 ASN H H 8.130 0.002 1 440 60 60 ASN HA H 4.488 0.040 1 441 60 60 ASN HB2 H 2.508 0.040 2 442 60 60 ASN HB3 H 3.156 0.040 2 443 60 60 ASN C C 176.858 0.200 1 444 60 60 ASN CA C 52.804 0.020 1 445 60 60 ASN CB C 37.674 0.004 1 446 60 60 ASN N N 119.055 0.029 1 447 61 61 GLY H H 10.535 0.003 1 448 61 61 GLY HA2 H 4.073 0.040 2 449 61 61 GLY HA3 H 3.338 0.040 2 450 61 61 GLY C C 173.297 0.200 1 451 61 61 GLY CA C 45.731 0.045 1 452 61 61 GLY N N 113.755 0.023 1 453 62 62 THR H H 7.675 0.001 1 454 62 62 THR HA H 4.629 0.040 1 455 62 62 THR HB H 3.860 0.040 1 456 62 62 THR C C 173.338 0.200 1 457 62 62 THR CA C 59.598 0.005 1 458 62 62 THR CB C 72.124 0.025 1 459 62 62 THR N N 109.237 0.005 1 460 63 63 ILE H H 8.804 0.003 1 461 63 63 ILE HA H 4.980 0.040 1 462 63 63 ILE HB H 1.898 0.040 1 463 63 63 ILE HD1 H 0.828 0.040 1 464 63 63 ILE CA C 59.992 0.159 1 465 63 63 ILE CB C 39.852 0.060 1 466 63 63 ILE CD1 C 13.588 0.200 1 467 63 63 ILE N N 124.158 0.022 1 468 64 64 ASP H H 8.942 0.001 1 469 64 64 ASP HA H 5.272 0.040 1 470 64 64 ASP HB2 H 2.692 0.040 2 471 64 64 ASP HB3 H 2.936 0.040 2 472 64 64 ASP C C 175.928 0.393 1 473 64 64 ASP CA C 52.285 0.030 1 474 64 64 ASP CB C 42.354 0.028 1 475 64 64 ASP N N 128.989 0.011 1 476 65 65 PHE H H 8.944 0.001 1 477 65 65 PHE CA C 63.365 0.200 1 478 65 65 PHE CB C 36.044 0.200 1 479 65 65 PHE N N 119.440 0.009 1 480 66 66 PRO HA H 3.741 0.040 1 481 66 66 PRO C C 180.012 0.200 1 482 66 66 PRO CA C 66.828 0.200 1 483 66 66 PRO CB C 30.834 0.200 1 484 67 67 GLU H H 8.040 0.002 1 485 67 67 GLU HA H 3.933 0.040 1 486 67 67 GLU HB2 H 1.903 0.040 2 487 67 67 GLU HB3 H 1.959 0.040 2 488 67 67 GLU C C 179.064 0.200 1 489 67 67 GLU CA C 58.968 0.006 1 490 67 67 GLU CB C 29.560 0.072 1 491 67 67 GLU N N 118.178 0.072 1 492 68 68 PHE H H 8.755 0.002 1 493 68 68 PHE CA C 61.379 0.027 1 494 68 68 PHE CB C 40.349 0.044 1 495 68 68 PHE N N 124.261 0.012 1 496 69 69 LEU H H 8.558 0.003 1 497 69 69 LEU HA H 3.251 0.040 1 498 69 69 LEU HB2 H 1.054 0.040 2 499 69 69 LEU HB3 H 1.329 0.040 2 500 69 69 LEU C C 179.073 0.200 1 501 69 69 LEU CA C 57.984 0.200 1 502 69 69 LEU CB C 41.091 0.200 1 503 69 69 LEU N N 119.600 0.040 1 504 70 70 THR H H 7.657 0.010 1 505 70 70 THR HA H 3.635 0.040 1 506 70 70 THR HB H 4.099 0.040 1 507 70 70 THR C C 176.168 0.200 1 508 70 70 THR CA C 66.660 0.038 1 509 70 70 THR CB C 68.627 0.106 1 510 70 70 THR N N 116.054 0.047 1 511 71 71 MET H H 7.646 0.002 1 512 71 71 MET HA H 3.687 0.040 1 513 71 71 MET HB2 H 1.940 0.040 2 514 71 71 MET HB3 H 1.937 0.040 2 515 71 71 MET HE H 1.817 0.040 1 516 71 71 MET C C 177.945 0.200 1 517 71 71 MET CA C 58.986 0.011 1 518 71 71 MET CB C 32.658 0.016 1 519 71 71 MET CE C 17.502 0.200 1 520 71 71 MET N N 122.084 0.003 1 521 72 72 MET H H 7.999 0.002 1 522 72 72 MET HA H 3.792 0.040 1 523 72 72 MET HE H 1.653 0.040 1 524 72 72 MET C C 178.340 0.200 1 525 72 72 MET CA C 56.139 0.065 1 526 72 72 MET CB C 30.929 0.026 1 527 72 72 MET CE C 17.636 0.200 1 528 72 72 MET N N 117.562 0.026 1 529 73 73 ALA H H 8.216 0.002 1 530 73 73 ALA HA H 3.916 0.040 1 531 73 73 ALA HB H 1.265 0.040 1 532 73 73 ALA CA C 54.693 0.037 1 533 73 73 ALA CB C 18.209 0.006 1 534 73 73 ALA N N 122.036 0.019 1 535 74 74 ARG H H 7.577 0.001 1 536 74 74 ARG HA H 3.930 0.040 1 537 74 74 ARG C C 176.243 0.200 1 538 74 74 ARG CA C 58.462 0.012 1 539 74 74 ARG CB C 30.233 0.011 1 540 74 74 ARG N N 117.490 0.006 1 541 75 75 LYS H H 7.803 0.009 1 542 75 75 LYS HA H 4.068 0.040 1 543 75 75 LYS C C 177.975 0.200 1 544 75 75 LYS CA C 57.204 0.004 1 545 75 75 LYS CB C 32.026 0.025 1 546 75 75 LYS N N 119.360 0.021 1 547 76 76 MET H H 7.947 0.004 1 548 76 76 MET HA H 4.187 0.040 1 549 76 76 MET HB2 H 1.998 0.040 2 550 76 76 MET HB3 H 1.994 0.040 2 551 76 76 MET HE H 2.122 0.040 1 552 76 76 MET CA C 57.056 0.200 1 553 76 76 MET CB C 33.269 0.200 1 554 76 76 MET CE C 17.161 0.200 1 555 76 76 MET N N 118.825 0.019 1 556 77 77 LYS H H 7.669 0.002 1 557 77 77 LYS CA C 56.205 0.200 1 558 77 77 LYS CB C 30.955 0.200 1 559 77 77 LYS N N 119.738 0.098 1 560 78 78 ASP HA H 4.548 0.040 1 561 78 78 ASP HB2 H 2.578 0.040 2 562 78 78 ASP HB3 H 2.626 0.040 2 563 78 78 ASP C C 176.505 0.200 1 564 78 78 ASP CA C 54.534 0.200 1 565 78 78 ASP CB C 41.423 0.200 1 566 79 79 THR H H 8.058 0.001 1 567 79 79 THR HA H 4.153 0.040 1 568 79 79 THR HB H 4.085 0.040 1 569 79 79 THR C C 174.416 0.200 1 570 79 79 THR CA C 62.341 0.015 1 571 79 79 THR CB C 69.770 0.003 1 572 79 79 THR N N 115.062 0.009 1 573 80 80 ASP H H 8.383 0.002 1 574 80 80 ASP HA H 4.574 0.040 1 575 80 80 ASP HB2 H 2.506 0.040 2 576 80 80 ASP HB3 H 2.572 0.040 2 577 80 80 ASP C C 176.398 0.200 1 578 80 80 ASP CA C 54.528 0.012 1 579 80 80 ASP CB C 41.475 0.007 1 580 80 80 ASP N N 123.831 0.018 1 581 81 81 SER H H 8.419 0.002 1 582 81 81 SER HA H 4.361 0.040 1 583 81 81 SER HB3 H 3.911 0.040 1 584 81 81 SER C C 175.290 0.200 1 585 81 81 SER CA C 58.921 0.200 1 586 81 81 SER CB C 64.201 0.200 1 587 81 81 SER N N 117.829 0.012 1 588 82 82 GLU H H 8.586 0.004 1 589 82 82 GLU HA H 3.964 0.040 1 590 82 82 GLU HB2 H 1.947 0.040 2 591 82 82 GLU HB3 H 1.949 0.040 2 592 82 82 GLU C C 177.978 0.200 1 593 82 82 GLU CA C 59.142 0.010 1 594 82 82 GLU CB C 29.618 0.014 1 595 82 82 GLU N N 123.489 0.085 1 596 83 83 GLU H H 8.382 0.002 1 597 83 83 GLU HA H 3.867 0.040 1 598 83 83 GLU HB2 H 1.906 0.040 2 599 83 83 GLU HB3 H 1.897 0.040 2 600 83 83 GLU C C 178.784 0.200 1 601 83 83 GLU CA C 59.708 0.089 1 602 83 83 GLU CB C 29.331 0.200 1 603 83 83 GLU N N 119.371 0.037 1 604 84 84 GLU H H 8.105 0.002 1 605 84 84 GLU HA H 4.005 0.040 1 606 84 84 GLU HB2 H 1.934 0.040 2 607 84 84 GLU HB3 H 2.000 0.040 2 608 84 84 GLU C C 179.258 0.200 1 609 84 84 GLU CA C 59.529 0.200 1 610 84 84 GLU CB C 29.438 0.045 1 611 84 84 GLU N N 119.329 0.046 1 612 85 85 ILE H H 8.016 0.001 1 613 85 85 ILE HA H 3.818 0.040 1 614 85 85 ILE HB H 1.990 0.040 1 615 85 85 ILE HD1 H 0.792 0.040 1 616 85 85 ILE C C 178.155 0.200 1 617 85 85 ILE CA C 64.824 0.003 1 618 85 85 ILE CB C 37.256 0.058 1 619 85 85 ILE CD1 C 13.103 0.200 1 620 85 85 ILE N N 121.912 0.034 1 621 86 86 ARG H H 8.464 0.002 1 622 86 86 ARG HA H 4.009 0.040 1 623 86 86 ARG HB2 H 1.700 0.040 2 624 86 86 ARG HB3 H 1.905 0.040 2 625 86 86 ARG C C 179.303 0.200 1 626 86 86 ARG CA C 60.136 0.031 1 627 86 86 ARG CB C 29.823 0.046 1 628 86 86 ARG N N 122.062 0.047 1 629 87 87 GLU H H 8.036 0.002 1 630 87 87 GLU HA H 3.997 0.040 1 631 87 87 GLU HB2 H 1.970 0.040 2 632 87 87 GLU HB3 H 1.983 0.040 2 633 87 87 GLU C C 178.756 0.200 1 634 87 87 GLU CA C 59.123 0.063 1 635 87 87 GLU CB C 29.305 0.031 1 636 87 87 GLU N N 119.335 0.044 1 637 88 88 ALA H H 8.056 0.001 1 638 88 88 ALA HA H 3.987 0.040 1 639 88 88 ALA HB H 1.667 0.040 1 640 88 88 ALA C C 179.047 0.200 1 641 88 88 ALA CA C 55.368 0.005 1 642 88 88 ALA CB C 17.996 0.007 1 643 88 88 ALA N N 122.407 0.021 1 644 89 89 PHE H H 8.619 0.001 1 645 89 89 PHE HA H 2.970 0.040 1 646 89 89 PHE HB2 H 2.854 0.040 2 647 89 89 PHE HB3 H 2.872 0.040 2 648 89 89 PHE C C 176.617 0.200 1 649 89 89 PHE CA C 62.233 0.017 1 650 89 89 PHE CB C 39.216 0.030 1 651 89 89 PHE N N 119.504 0.024 1 652 90 90 ARG H H 7.688 0.002 1 653 90 90 ARG HA H 3.731 0.040 1 654 90 90 ARG HB2 H 1.839 0.040 2 655 90 90 ARG HB3 H 1.839 0.040 2 656 90 90 ARG C C 178.000 0.200 1 657 90 90 ARG CA C 58.890 0.023 1 658 90 90 ARG CB C 30.303 0.002 1 659 90 90 ARG N N 116.102 0.066 1 660 91 91 VAL H H 7.500 0.002 1 661 91 91 VAL HA H 3.356 0.040 1 662 91 91 VAL HB H 2.044 0.040 1 663 91 91 VAL C C 177.053 0.200 1 664 91 91 VAL CA C 65.703 0.058 1 665 91 91 VAL CB C 31.432 0.042 1 666 91 91 VAL N N 118.768 0.024 1 667 92 92 PHE H H 7.361 0.004 1 668 92 92 PHE HA H 4.054 0.040 1 669 92 92 PHE HB2 H 2.482 0.040 2 670 92 92 PHE HB3 H 2.484 0.040 2 671 92 92 PHE C C 176.971 0.200 1 672 92 92 PHE CA C 60.231 0.006 1 673 92 92 PHE CB C 40.701 0.017 1 674 92 92 PHE N N 116.428 0.024 1 675 93 93 ASP H H 7.864 0.002 1 676 93 93 ASP HA H 4.406 0.040 1 677 93 93 ASP HB2 H 1.209 0.040 2 678 93 93 ASP HB3 H 2.128 0.040 2 679 93 93 ASP C C 177.474 0.200 1 680 93 93 ASP CA C 52.361 0.021 1 681 93 93 ASP CB C 38.354 0.013 1 682 93 93 ASP N N 117.061 0.026 1 683 94 94 LYS H H 7.760 0.001 1 684 94 94 LYS HA H 3.777 0.040 1 685 94 94 LYS HB2 H 1.699 0.040 2 686 94 94 LYS HB3 H 1.700 0.040 2 687 94 94 LYS C C 178.270 0.200 1 688 94 94 LYS CA C 59.066 0.012 1 689 94 94 LYS CB C 32.689 0.019 1 690 94 94 LYS N N 126.583 0.011 1 691 95 95 ASP H H 8.202 0.001 1 692 95 95 ASP HA H 4.414 0.040 1 693 95 95 ASP HB2 H 2.478 0.040 2 694 95 95 ASP HB3 H 2.924 0.040 2 695 95 95 ASP C C 177.720 0.200 1 696 95 95 ASP CA C 53.052 0.200 1 697 95 95 ASP CB C 39.608 0.200 1 698 95 95 ASP N N 114.571 0.013 1 699 96 96 GLY H H 7.780 0.001 1 700 96 96 GLY HA2 H 3.691 0.040 2 701 96 96 GLY HA3 H 3.652 0.040 2 702 96 96 GLY C C 175.135 0.200 1 703 96 96 GLY CA C 47.257 0.011 1 704 96 96 GLY N N 109.748 0.013 1 705 97 97 ASN H H 8.338 0.002 1 706 97 97 ASN HA H 4.495 0.040 1 707 97 97 ASN HB2 H 2.511 0.040 2 708 97 97 ASN HB3 H 3.249 0.040 2 709 97 97 ASN C C 176.090 0.200 1 710 97 97 ASN CA C 52.822 0.005 1 711 97 97 ASN CB C 38.147 0.067 1 712 97 97 ASN N N 119.972 0.021 1 713 98 98 GLY H H 10.625 0.002 1 714 98 98 GLY HA2 H 3.908 0.040 2 715 98 98 GLY HA3 H 3.290 0.040 2 716 98 98 GLY C C 172.427 0.200 1 717 98 98 GLY CA C 45.129 0.011 1 718 98 98 GLY N N 113.446 0.030 1 719 99 99 TYR H H 7.617 0.001 1 720 99 99 TYR HA H 4.900 0.040 1 721 99 99 TYR HB2 H 2.351 0.040 2 722 99 99 TYR HB3 H 2.341 0.040 2 723 99 99 TYR C C 174.568 0.200 1 724 99 99 TYR CA C 56.168 0.006 1 725 99 99 TYR CB C 43.240 0.004 1 726 99 99 TYR N N 116.355 0.012 1 727 100 100 ILE H H 10.148 0.001 1 728 100 100 ILE HA H 4.635 0.040 1 729 100 100 ILE HB H 1.703 0.040 1 730 100 100 ILE HG2 H 0.963 0.040 1 731 100 100 ILE C C 175.524 0.200 1 732 100 100 ILE CA C 60.594 0.052 1 733 100 100 ILE CB C 38.817 0.032 1 734 100 100 ILE CG2 C 17.812 0.200 1 735 100 100 ILE N N 127.826 0.020 1 736 101 101 SER H H 8.986 0.001 1 737 101 101 SER HA H 4.706 0.040 1 738 101 101 SER HB2 H 3.845 0.040 2 739 101 101 SER HB3 H 4.295 0.040 2 740 101 101 SER C C 175.310 0.200 1 741 101 101 SER CA C 55.841 0.042 1 742 101 101 SER CB C 66.822 0.018 1 743 101 101 SER N N 124.273 0.012 1 744 102 102 ALA H H 9.200 0.002 1 745 102 102 ALA HA H 3.784 0.040 1 746 102 102 ALA HB H 1.334 0.040 1 747 102 102 ALA C C 179.333 0.200 1 748 102 102 ALA CA C 56.042 0.067 1 749 102 102 ALA CB C 18.043 0.012 1 750 102 102 ALA N N 123.529 0.039 1 751 103 103 ALA H H 8.213 0.001 1 752 103 103 ALA HA H 3.896 0.040 1 753 103 103 ALA HB H 1.279 0.040 1 754 103 103 ALA C C 181.402 0.200 1 755 103 103 ALA CA C 55.326 0.072 1 756 103 103 ALA CB C 18.432 0.056 1 757 103 103 ALA N N 118.833 0.008 1 758 104 104 GLU H H 7.860 0.001 1 759 104 104 GLU HA H 3.897 0.040 1 760 104 104 GLU HB2 H 2.403 0.040 2 761 104 104 GLU HB3 H 2.482 0.040 2 762 104 104 GLU C C 179.212 0.200 1 763 104 104 GLU CA C 59.541 0.007 1 764 104 104 GLU CB C 29.251 0.017 1 765 104 104 GLU N N 120.548 0.022 1 766 105 105 LEU H H 8.523 0.003 1 767 105 105 LEU HA H 4.008 0.040 1 768 105 105 LEU HB2 H 1.416 0.040 2 769 105 105 LEU HB3 H 1.757 0.040 2 770 105 105 LEU C C 178.568 0.200 1 771 105 105 LEU CA C 58.635 0.029 1 772 105 105 LEU CB C 42.205 0.005 1 773 105 105 LEU N N 121.397 0.021 1 774 106 106 ARG H H 8.651 0.003 1 775 106 106 ARG HA H 3.653 0.040 1 776 106 106 ARG HB2 H 1.834 0.040 2 777 106 106 ARG HB3 H 1.846 0.040 2 778 106 106 ARG C C 178.719 0.200 1 779 106 106 ARG CA C 60.009 0.200 1 780 106 106 ARG CB C 30.585 0.200 1 781 106 106 ARG N N 117.976 0.006 1 782 107 107 HIS H H 8.031 0.001 1 783 107 107 HIS HA H 4.134 0.040 1 784 107 107 HIS HB2 H 3.162 0.040 2 785 107 107 HIS HB3 H 3.164 0.040 2 786 107 107 HIS C C 177.673 0.200 1 787 107 107 HIS CA C 60.145 0.200 1 788 107 107 HIS CB C 30.918 0.200 1 789 107 107 HIS N N 120.022 0.025 1 790 108 108 VAL H H 7.911 0.002 1 791 108 108 VAL HA H 3.324 0.040 1 792 108 108 VAL HB H 1.834 0.040 1 793 108 108 VAL HG1 H 0.386 0.040 2 794 108 108 VAL C C 177.859 0.200 1 795 108 108 VAL CA C 66.576 0.047 1 796 108 108 VAL CB C 31.582 0.021 1 797 108 108 VAL CG1 C 20.929 0.200 2 798 108 108 VAL N N 119.259 0.029 1 799 109 109 MET H H 8.223 0.002 1 800 109 109 MET HA H 4.130 0.040 1 801 109 109 MET HB2 H 1.831 0.040 2 802 109 109 MET HB3 H 1.841 0.040 2 803 109 109 MET HE H 2.029 0.040 1 804 109 109 MET C C 178.893 0.200 1 805 109 109 MET CA C 57.950 0.007 1 806 109 109 MET CB C 31.340 0.025 1 807 109 109 MET CE C 17.824 0.200 1 808 109 109 MET N N 116.273 0.041 1 809 110 110 THR H H 8.258 0.003 1 810 110 110 THR HA H 4.046 0.040 1 811 110 110 THR HB H 4.064 0.040 1 812 110 110 THR C C 177.812 0.200 1 813 110 110 THR CA C 66.026 0.096 1 814 110 110 THR CB C 68.993 0.009 1 815 110 110 THR N N 115.089 0.034 1 816 111 111 ASN H H 7.769 0.004 1 817 111 111 ASN HA H 4.309 0.040 1 818 111 111 ASN HB2 H 2.547 0.040 2 819 111 111 ASN HB3 H 2.561 0.040 2 820 111 111 ASN C C 176.111 0.200 1 821 111 111 ASN CA C 55.886 0.069 1 822 111 111 ASN CB C 38.442 0.006 1 823 111 111 ASN N N 122.556 0.024 1 824 112 112 LEU H H 7.768 0.002 1 825 112 112 LEU HA H 4.144 0.040 1 826 112 112 LEU C C 176.787 0.200 1 827 112 112 LEU CA C 55.383 0.099 1 828 112 112 LEU CB C 42.191 0.008 1 829 112 112 LEU N N 119.249 0.028 1 830 113 113 GLY H H 7.695 0.007 1 831 113 113 GLY HA2 H 3.542 0.040 2 832 113 113 GLY HA3 H 4.071 0.040 2 833 113 113 GLY C C 174.409 0.200 1 834 113 113 GLY CA C 45.531 0.015 1 835 113 113 GLY N N 106.276 0.042 1 836 114 114 GLU H H 7.936 0.001 1 837 114 114 GLU HA H 4.266 0.040 1 838 114 114 GLU HB2 H 1.564 0.040 2 839 114 114 GLU HB3 H 1.807 0.040 2 840 114 114 GLU C C 175.595 0.200 1 841 114 114 GLU CA C 55.545 0.015 1 842 114 114 GLU CB C 30.451 0.002 1 843 114 114 GLU N N 121.187 0.021 1 844 115 115 LYS H H 8.539 0.001 1 845 115 115 LYS HA H 4.224 0.040 1 846 115 115 LYS HB2 H 1.558 0.040 2 847 115 115 LYS HB3 H 1.579 0.040 2 848 115 115 LYS C C 175.557 0.200 1 849 115 115 LYS CA C 55.707 0.072 1 850 115 115 LYS CB C 31.952 0.012 1 851 115 115 LYS N N 124.721 0.021 1 852 116 116 LEU H H 7.941 0.003 1 853 116 116 LEU HA H 4.629 0.040 1 854 116 116 LEU HB2 H 1.368 0.040 1 855 116 116 LEU C C 177.945 0.200 1 856 116 116 LEU CA C 54.180 0.033 1 857 116 116 LEU CB C 44.975 0.023 1 858 116 116 LEU N N 124.931 0.022 1 859 117 117 THR H H 9.123 0.001 1 860 117 117 THR HA H 4.331 0.040 1 861 117 117 THR HB H 4.581 0.040 1 862 117 117 THR C C 175.513 0.200 1 863 117 117 THR CA C 60.736 0.023 1 864 117 117 THR CB C 71.338 0.011 1 865 117 117 THR N N 115.052 0.022 1 866 118 118 ASP H H 8.839 0.001 1 867 118 118 ASP HA H 4.068 0.040 1 868 118 118 ASP HB2 H 2.407 0.040 2 869 118 118 ASP HB3 H 2.595 0.040 2 870 118 118 ASP C C 178.586 0.200 1 871 118 118 ASP CA C 58.115 0.019 1 872 118 118 ASP CB C 39.830 0.004 1 873 118 118 ASP N N 121.442 0.015 1 874 119 119 GLU H H 8.685 0.002 1 875 119 119 GLU HA H 3.942 0.040 1 876 119 119 GLU HB2 H 1.857 0.040 2 877 119 119 GLU HB3 H 1.864 0.040 2 878 119 119 GLU C C 179.193 0.200 1 879 119 119 GLU CA C 60.023 0.119 1 880 119 119 GLU CB C 29.148 0.021 1 881 119 119 GLU N N 119.485 0.027 1 882 120 120 GLU H H 7.722 0.001 1 883 120 120 GLU HA H 3.854 0.040 1 884 120 120 GLU HB2 H 1.790 0.040 2 885 120 120 GLU HB3 H 1.789 0.040 2 886 120 120 GLU C C 179.920 0.200 1 887 120 120 GLU CA C 59.448 0.071 1 888 120 120 GLU CB C 30.481 0.012 1 889 120 120 GLU N N 120.924 0.021 1 890 121 121 VAL H H 8.039 0.001 1 891 121 121 VAL HA H 3.467 0.040 1 892 121 121 VAL HB H 2.054 0.040 1 893 121 121 VAL C C 177.267 0.200 1 894 121 121 VAL CA C 66.942 0.043 1 895 121 121 VAL CB C 31.124 0.149 1 896 121 121 VAL N N 121.341 0.009 1 897 122 122 ASP H H 8.025 0.002 1 898 122 122 ASP HA H 4.189 0.040 1 899 122 122 ASP HB2 H 2.465 0.040 2 900 122 122 ASP HB3 H 2.622 0.040 2 901 122 122 ASP C C 179.221 0.200 1 902 122 122 ASP CA C 57.785 0.016 1 903 122 122 ASP CB C 40.557 0.008 1 904 122 122 ASP N N 120.220 0.037 1 905 123 123 GLU H H 7.963 0.001 1 906 123 123 GLU HA H 3.861 0.040 1 907 123 123 GLU HB2 H 1.909 0.040 2 908 123 123 GLU HB3 H 1.934 0.040 2 909 123 123 GLU C C 178.010 0.200 1 910 123 123 GLU CA C 59.276 0.031 1 911 123 123 GLU CB C 29.492 0.012 1 912 123 123 GLU N N 119.967 0.015 1 913 124 124 MET H H 7.810 0.004 1 914 124 124 MET HA H 3.882 0.040 1 915 124 124 MET HB2 H 1.901 0.040 2 916 124 124 MET HB3 H 2.120 0.040 2 917 124 124 MET HE H 2.060 0.040 1 918 124 124 MET C C 179.253 0.200 1 919 124 124 MET CA C 59.579 0.038 1 920 124 124 MET CB C 33.412 0.073 1 921 124 124 MET CE C 17.171 0.200 1 922 124 124 MET N N 119.961 0.032 1 923 125 125 ILE H H 7.932 0.001 1 924 125 125 ILE HA H 3.354 0.040 1 925 125 125 ILE HB H 1.951 0.040 1 926 125 125 ILE HD1 H 0.743 0.040 1 927 125 125 ILE C C 177.162 0.200 1 928 125 125 ILE CA C 63.839 0.043 1 929 125 125 ILE CB C 36.441 0.025 1 930 125 125 ILE CD1 C 10.916 0.200 1 931 125 125 ILE N N 118.826 0.015 1 932 126 126 ARG H H 8.214 0.001 1 933 126 126 ARG HA H 3.861 0.040 1 934 126 126 ARG HB2 H 1.759 0.040 2 935 126 126 ARG HB3 H 1.773 0.040 2 936 126 126 ARG C C 179.313 0.200 1 937 126 126 ARG CA C 59.780 0.120 1 938 126 126 ARG CB C 30.227 0.009 1 939 126 126 ARG N N 118.975 0.043 1 940 127 127 GLU H H 7.907 0.001 1 941 127 127 GLU C C 177.229 0.200 1 942 127 127 GLU CA C 58.572 0.045 1 943 127 127 GLU CB C 29.757 0.030 1 944 127 127 GLU N N 116.509 0.005 1 945 128 128 ALA H H 7.313 0.001 1 946 128 128 ALA HA H 4.282 0.040 1 947 128 128 ALA HB H 1.276 0.040 1 948 128 128 ALA C C 177.725 0.200 1 949 128 128 ALA CA C 52.093 0.002 1 950 128 128 ALA CB C 21.302 0.010 1 951 128 128 ALA N N 119.440 0.009 1 952 129 129 ASP H H 7.851 0.001 1 953 129 129 ASP HA H 4.355 0.040 1 954 129 129 ASP HB2 H 2.339 0.040 2 955 129 129 ASP HB3 H 2.713 0.040 2 956 129 129 ASP C C 176.093 0.200 1 957 129 129 ASP CA C 54.142 0.019 1 958 129 129 ASP CB C 40.467 0.001 1 959 129 129 ASP N N 118.120 0.022 1 960 130 130 ILE H H 8.382 0.001 1 961 130 130 ILE HA H 3.768 0.040 1 962 130 130 ILE HB H 1.874 0.040 1 963 130 130 ILE HD1 H 0.915 0.040 1 964 130 130 ILE C C 177.892 0.200 1 965 130 130 ILE CA C 63.448 0.025 1 966 130 130 ILE CB C 38.638 0.047 1 967 130 130 ILE CD1 C 12.404 0.200 1 968 130 130 ILE N N 128.215 0.021 1 969 131 131 ASP H H 8.306 0.001 1 970 131 131 ASP HA H 4.429 0.040 1 971 131 131 ASP HB2 H 2.481 0.040 2 972 131 131 ASP HB3 H 2.890 0.040 2 973 131 131 ASP C C 178.303 0.200 1 974 131 131 ASP CA C 53.900 0.043 1 975 131 131 ASP CB C 39.946 0.019 1 976 131 131 ASP N N 117.216 0.014 1 977 132 132 GLY H H 7.579 0.001 1 978 132 132 GLY HA2 H 3.667 0.040 2 979 132 132 GLY HA3 H 3.820 0.040 2 980 132 132 GLY C C 175.306 0.200 1 981 132 132 GLY CA C 47.536 0.102 1 982 132 132 GLY N N 109.020 0.016 1 983 133 133 ASP H H 8.344 0.002 1 984 133 133 ASP HA H 4.323 0.040 1 985 133 133 ASP HB2 H 2.338 0.040 2 986 133 133 ASP HB3 H 2.802 0.040 2 987 133 133 ASP C C 177.645 0.200 1 988 133 133 ASP CA C 53.718 0.065 1 989 133 133 ASP CB C 40.306 0.012 1 990 133 133 ASP N N 121.325 0.021 1 991 134 134 GLY H H 10.365 0.040 1 992 134 134 GLY HA2 H 3.277 0.040 2 993 134 134 GLY HA3 H 3.882 0.040 2 994 134 134 GLY C C 172.852 0.200 1 995 134 134 GLY CA C 45.879 0.022 1 996 134 134 GLY N N 113.515 0.013 1 997 135 135 GLN H H 7.963 0.001 1 998 135 135 GLN HA H 4.706 0.040 1 999 135 135 GLN HB2 H 1.540 0.040 2 1000 135 135 GLN HB3 H 1.888 0.040 2 1001 135 135 GLN C C 174.713 0.200 1 1002 135 135 GLN CA C 53.261 0.014 1 1003 135 135 GLN CB C 32.336 0.030 1 1004 135 135 GLN N N 115.905 0.009 1 1005 136 136 VAL H H 9.130 0.002 1 1006 136 136 VAL HA H 5.046 0.040 1 1007 136 136 VAL HB H 2.122 0.040 1 1008 136 136 VAL C C 175.860 0.200 1 1009 136 136 VAL CA C 61.796 0.014 1 1010 136 136 VAL CB C 33.723 0.018 1 1011 136 136 VAL N N 126.035 0.033 1 1012 137 137 ASN H H 9.568 0.002 1 1013 137 137 ASN HA H 5.081 0.040 1 1014 137 137 ASN HB2 H 3.112 0.040 2 1015 137 137 ASN HB3 H 3.132 0.040 2 1016 137 137 ASN C C 174.933 0.200 1 1017 137 137 ASN CA C 51.214 0.008 1 1018 137 137 ASN CB C 38.281 0.013 1 1019 137 137 ASN N N 129.609 0.025 1 1020 138 138 TYR H H 8.416 0.001 1 1021 138 138 TYR HA H 3.300 0.040 1 1022 138 138 TYR HB2 H 2.266 0.040 2 1023 138 138 TYR HB3 H 2.451 0.040 2 1024 138 138 TYR C C 176.075 0.200 1 1025 138 138 TYR CA C 62.894 0.038 1 1026 138 138 TYR CB C 37.874 0.163 1 1027 138 138 TYR N N 118.904 0.012 1 1028 139 139 GLU H H 8.092 0.001 1 1029 139 139 GLU HA H 3.501 0.040 1 1030 139 139 GLU HB2 H 1.870 0.040 2 1031 139 139 GLU HB3 H 1.953 0.040 2 1032 139 139 GLU C C 180.597 0.200 1 1033 139 139 GLU CA C 60.520 0.006 1 1034 139 139 GLU CB C 29.062 0.059 1 1035 139 139 GLU N N 118.923 0.034 1 1036 140 140 GLU H H 8.736 0.001 1 1037 140 140 GLU HA H 3.879 0.040 1 1038 140 140 GLU HB2 H 2.061 0.040 2 1039 140 140 GLU HB3 H 2.401 0.040 2 1040 140 140 GLU C C 179.359 0.200 1 1041 140 140 GLU CA C 58.544 0.049 1 1042 140 140 GLU CB C 29.781 0.046 1 1043 140 140 GLU N N 120.325 0.018 1 1044 141 141 PHE H H 8.929 0.001 1 1045 141 141 PHE HA H 3.852 0.040 1 1046 141 141 PHE HB2 H 3.027 0.040 2 1047 141 141 PHE HB3 H 3.243 0.040 2 1048 141 141 PHE C C 176.781 0.200 1 1049 141 141 PHE CA C 61.579 0.046 1 1050 141 141 PHE CB C 39.892 0.008 1 1051 141 141 PHE N N 125.220 0.011 1 1052 142 142 VAL H H 8.516 0.002 1 1053 142 142 VAL HA H 2.960 0.040 1 1054 142 142 VAL HB H 1.756 0.040 1 1055 142 142 VAL HG2 H 0.554 0.040 2 1056 142 142 VAL C C 179.553 0.200 1 1057 142 142 VAL CA C 67.066 0.065 1 1058 142 142 VAL CB C 31.509 0.003 1 1059 142 142 VAL CG2 C 23.002 0.200 2 1060 142 142 VAL N N 119.891 0.009 1 1061 143 143 GLN H H 7.386 0.003 1 1062 143 143 GLN HA H 3.740 0.040 1 1063 143 143 GLN HB2 H 1.965 0.040 2 1064 143 143 GLN HB3 H 1.973 0.040 2 1065 143 143 GLN C C 177.861 0.200 1 1066 143 143 GLN CA C 58.883 0.034 1 1067 143 143 GLN CB C 28.128 0.005 1 1068 143 143 GLN N N 118.582 0.016 1 1069 144 144 MET H H 7.919 0.001 1 1070 144 144 MET HA H 3.944 0.040 1 1071 144 144 MET HB2 H 1.925 0.040 2 1072 144 144 MET HB3 H 1.909 0.040 2 1073 144 144 MET HE H 1.714 0.040 1 1074 144 144 MET C C 177.829 0.200 1 1075 144 144 MET CA C 58.538 0.011 1 1076 144 144 MET CB C 33.333 0.005 1 1077 144 144 MET CE C 17.395 0.200 1 1078 144 144 MET N N 119.973 0.034 1 1079 145 145 MET H H 7.795 0.002 1 1080 145 145 MET HA H 4.151 0.040 1 1081 145 145 MET HB2 H 1.535 0.040 2 1082 145 145 MET HB3 H 1.538 0.040 2 1083 145 145 MET HE H 1.881 0.040 1 1084 145 145 MET C C 177.330 0.200 1 1085 145 145 MET CA C 55.465 0.001 1 1086 145 145 MET CB C 32.222 0.047 1 1087 145 145 MET CE C 17.115 0.200 1 1088 145 145 MET N N 115.041 0.015 1 1089 146 146 THR H H 7.566 0.001 1 1090 146 146 THR HA H 4.139 0.040 1 1091 146 146 THR HB H 4.091 0.040 1 1092 146 146 THR C C 174.210 0.200 1 1093 146 146 THR CA C 62.487 0.002 1 1094 146 146 THR CB C 70.350 0.011 1 1095 146 146 THR N N 111.502 0.024 1 1096 147 147 ALA H H 7.770 0.001 1 1097 147 147 ALA HA H 4.162 0.040 1 1098 147 147 ALA HB H 1.258 0.040 1 1099 147 147 ALA C C 176.613 0.200 1 1100 147 147 ALA CA C 52.927 0.024 1 1101 147 147 ALA CB C 19.142 0.022 1 1102 147 147 ALA N N 127.153 0.010 1 1103 148 148 LYS H H 7.731 0.001 1 1104 148 148 LYS CA C 57.499 0.200 1 1105 148 148 LYS CB C 33.741 0.200 1 1106 148 148 LYS N N 126.158 0.007 1 stop_ save_