data_18125 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments of the 56 kDa chimeric avidin in the biotin-bound and free forms ; _BMRB_accession_number 18125 _BMRB_flat_file_name bmr18125.str _Entry_type original _Submission_date 2011-12-08 _Accession_date 2011-12-08 _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 Tossavainen Helena . . 2 Helppolainen Satu H. . 3 Maatta Juha AE . 4 Pihlajamaa Tero . . 5 Hytonen Vesa P. . 6 Kulomaa Markku S. . 7 Permi Perttu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 705 "13C chemical shifts" 418 "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-25 update BMRB 'update entry citation' 2012-03-09 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18123 '56 kDa chimeric avidin' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance assignments of the 56kDa chimeric avidin in the biotin-bound and free forms.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22392339 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tossavainen Helena . . 2 Helppolainen Satu H. . 3 Maatta Juha A.E. . 4 Pihlajamaa Tero . . 5 Hytonen Vesa P. . 6 Kulomaa Markku S. . 7 Permi Perttu . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 35 _Page_last 38 _Year 2013 _Details . loop_ _Keyword biotin 'chimeric avidin' 'ligand binding' thermostability stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name avidin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label avidin $avidin BTN $BTN 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_avidin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common avidin _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 129 _Mol_residue_sequence ; QTVARKCSLTGKWTNDLGSN MTIGAVNSRGEFTGTYITAV ADNPGNITLSPLLGIQHKRA SQPTFGFTVNWKFSESTTVF TGQCFIDRNGKEVLKTMWLL RSSVNDIGDDWKATRVGYNI FTRLRTQKE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLN 2 -2 THR 3 -1 VAL 4 1 ALA 5 2 ARG 6 3 LYS 7 4 CYS 8 5 SER 9 6 LEU 10 7 THR 11 8 GLY 12 9 LYS 13 10 TRP 14 11 THR 15 12 ASN 16 13 ASP 17 14 LEU 18 15 GLY 19 16 SER 20 17 ASN 21 18 MET 22 19 THR 23 20 ILE 24 21 GLY 25 22 ALA 26 23 VAL 27 24 ASN 28 25 SER 29 26 ARG 30 27 GLY 31 28 GLU 32 29 PHE 33 30 THR 34 31 GLY 35 32 THR 36 33 TYR 37 34 ILE 38 35 THR 39 36 ALA 40 37 VAL 41 38 ALA 42 39 ASP 43 40 ASN 44 41 PRO 45 42 GLY 46 43 ASN 47 44 ILE 48 45 THR 49 46 LEU 50 47 SER 51 48 PRO 52 49 LEU 53 50 LEU 54 51 GLY 55 52 ILE 56 53 GLN 57 54 HIS 58 57 LYS 59 58 ARG 60 59 ALA 61 60 SER 62 61 GLN 63 62 PRO 64 63 THR 65 64 PHE 66 65 GLY 67 66 PHE 68 67 THR 69 68 VAL 70 69 ASN 71 70 TRP 72 71 LYS 73 72 PHE 74 73 SER 75 74 GLU 76 75 SER 77 76 THR 78 77 THR 79 78 VAL 80 79 PHE 81 80 THR 82 81 GLY 83 82 GLN 84 83 CYS 85 84 PHE 86 85 ILE 87 86 ASP 88 87 ARG 89 88 ASN 90 89 GLY 91 90 LYS 92 91 GLU 93 92 VAL 94 93 LEU 95 94 LYS 96 95 THR 97 96 MET 98 97 TRP 99 98 LEU 100 99 LEU 101 100 ARG 102 101 SER 103 102 SER 104 103 VAL 105 104 ASN 106 105 ASP 107 106 ILE 108 107 GLY 109 108 ASP 110 109 ASP 111 110 TRP 112 111 LYS 113 112 ALA 114 113 THR 115 114 ARG 116 115 VAL 117 116 GLY 118 117 TYR 119 118 ASN 120 119 ILE 121 120 PHE 122 121 THR 123 122 ARG 124 123 LEU 125 124 ARG 126 125 THR 127 126 GLN 128 127 LYS 129 128 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-09-14 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18123 avidin 100.00 129 100.00 100.00 6.25e-89 PDB 2MF6 "Solution Nmr Structure Of Chimeric Avidin, Chiavd(i117y), In The Biotin Bound Form" 100.00 129 100.00 100.00 6.25e-89 PDB 3MM0 "Crystal Structure Of Chimeric Avidin" 100.00 129 100.00 100.00 6.25e-89 stop_ save_ ############# # Ligands # ############# save_BTN _Saveframe_category ligand _Mol_type non-polymer _Name_common "BTN (BIOTIN)" _BMRB_code . _PDB_code BTN _Molecular_mass 244.311 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Dec 9 10:45:24 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C11 C11 C . 0 . ? O11 O11 O . 0 . ? O12 O12 O . 0 . ? C10 C10 C . 0 . ? C9 C9 C . 0 . ? C8 C8 C . 0 . ? C7 C7 C . 0 . ? C2 C2 C . 0 . ? S1 S1 S . 0 . ? C6 C6 C . 0 . ? C5 C5 C . 0 . ? N1 N1 N . 0 . ? C3 C3 C . 0 . ? O3 O3 O . 0 . ? N2 N2 N . 0 . ? C4 C4 C . 0 . ? HO2 HO2 H . 0 . ? H101 H101 H . 0 . ? H102 H102 H . 0 . ? H91 H91 H . 0 . ? H92 H92 H . 0 . ? H81 H81 H . 0 . ? H82 H82 H . 0 . ? H71 H71 H . 0 . ? H72 H72 H . 0 . ? H2 H2 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? H5 H5 H . 0 . ? HN1 HN1 H . 0 . ? HN2 HN2 H . 0 . ? H4 H4 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 DOUB C11 O11 ? ? SING C11 O12 ? ? SING C11 C10 ? ? SING O12 HO2 ? ? SING C10 C9 ? ? SING C10 H101 ? ? SING C10 H102 ? ? SING C9 C8 ? ? SING C9 H91 ? ? SING C9 H92 ? ? SING C8 C7 ? ? SING C8 H81 ? ? SING C8 H82 ? ? SING C7 C2 ? ? SING C7 H71 ? ? SING C7 H72 ? ? SING C2 S1 ? ? SING C2 C4 ? ? SING C2 H2 ? ? SING S1 C6 ? ? SING C6 C5 ? ? SING C6 H61 ? ? SING C6 H62 ? ? SING C5 N1 ? ? SING C5 C4 ? ? SING C5 H5 ? ? SING N1 C3 ? ? SING N1 HN1 ? ? DOUB C3 O3 ? ? SING C3 N2 ? ? SING N2 C4 ? ? SING N2 HN2 ? ? SING C4 H4 ? ? stop_ _Mol_thiol_state 'not present' _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 $avidin Chicken 9031 Eukaryota Metazoa Gallus gallus 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 $avidin 'recombinant technology' . Escherichia coli . pET101D stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $avidin . mM 0.7 1.2 '[U-13C; U-15N]' d-biotin . mM 0.7 1.2 'natural abundance' H2O 93 % . . 'natural abundance' D2O 7 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $avidin . mM 0.7 1.2 '[U-13C; U-15N]' H2O 93 % . . 'natural abundance' D2O 7 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity INOVA' _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_(HB)CB(CGCD)HD_8 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _Sample_label $sample_1 save_ save_HCCmHm_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCmHm _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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 pH 6.5 . pH pressure 1 . atm temperature 333 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 343 . 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 carbon' ppm 175.20 na indirect . . . 0.25144953 water H 1 protons ppm 4.40 internal direct . . . 1.00000000 'liquid anhydrous ammonia' N 15 nitrogen ppm 117.81 na 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_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name avidin _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 THR HA H 4.42 0.02 1 2 -2 2 THR HB H 4.2 0.02 1 3 -2 2 THR HG2 H 1.23 0.02 1 4 -2 2 THR CA C 62.85 0.4 1 5 -2 2 THR CB C 70.37 0.4 1 6 -2 2 THR CG2 C 22.45 0.4 1 7 -1 3 VAL H H 8 0.02 1 8 -1 3 VAL HA H 4.18 0.02 1 9 -1 3 VAL HB H 2.1 0.02 1 10 -1 3 VAL HG1 H 0.96 0.02 2 11 -1 3 VAL HG2 H 0.96 0.02 2 12 -1 3 VAL CA C 62.52 0.4 1 13 -1 3 VAL CB C 33.7 0.4 1 14 -1 3 VAL CG1 C 21.95 0.4 1 15 -1 3 VAL CG2 C 21.33 0.4 1 16 -1 3 VAL N N 122.03 0.4 1 17 1 4 ALA H H 8.21 0.02 1 18 1 4 ALA HA H 4.38 0.02 1 19 1 4 ALA HB H 1.39 0.02 1 20 1 4 ALA CA C 53.17 0.4 1 21 1 4 ALA CB C 20.09 0.4 1 22 1 4 ALA N N 127.6 0.4 1 23 2 5 ARG H H 8 0.02 1 24 2 5 ARG HA H 4.4 0.02 1 25 2 5 ARG HB2 H 1.85 0.02 2 26 2 5 ARG HB3 H 1.76 0.02 2 27 2 5 ARG HD2 H 3.21 0.02 2 28 2 5 ARG HD3 H 3.21 0.02 2 29 2 5 ARG CA C 56.46 0.4 1 30 2 5 ARG N N 120.07 0.4 1 31 3 6 LYS H H 8.1 0.02 1 32 3 6 LYS HA H 4.59 0.02 1 33 3 6 LYS HB2 H 1.8 0.02 2 34 3 6 LYS HB3 H 1.8 0.02 2 35 3 6 LYS HG2 H 1.49 0.02 2 36 3 6 LYS HG3 H 1.36 0.02 2 37 3 6 LYS HD2 H 1.69 0.02 2 38 3 6 LYS HD3 H 1.69 0.02 2 39 3 6 LYS HE2 H 3.01 0.02 2 40 3 6 LYS HE3 H 3.01 0.02 2 41 3 6 LYS CA C 56.21 0.4 1 42 3 6 LYS CB C 35.16 0.4 1 43 3 6 LYS CG C 25.7 0.4 1 44 3 6 LYS CD C 29.89 0.4 1 45 3 6 LYS N N 120.5 0.4 1 46 4 7 CYS H H 9.25 0.02 1 47 4 7 CYS HA H 4.64 0.02 1 48 4 7 CYS HB2 H 3.31 0.02 2 49 4 7 CYS HB3 H 2.83 0.02 2 50 4 7 CYS CA C 57.26 0.4 1 51 4 7 CYS CB C 41.95 0.4 1 52 4 7 CYS N N 121.99 0.4 1 53 5 8 SER H H 8.19 0.02 1 54 5 8 SER HA H 4.67 0.02 1 55 5 8 SER HB2 H 3.77 0.02 2 56 5 8 SER HB3 H 3.77 0.02 2 57 5 8 SER CA C 57.3 0.4 1 58 5 8 SER CB C 65.43 0.4 1 59 5 8 SER N N 118.51 0.4 1 60 6 9 LEU H H 8.14 0.02 1 61 6 9 LEU HA H 3.82 0.02 1 62 6 9 LEU HB2 H 0.81 0.02 2 63 6 9 LEU HB3 H 0.66 0.02 2 64 6 9 LEU HG H 0.73 0.02 1 65 6 9 LEU HD1 H -0.35 0.02 2 66 6 9 LEU HD2 H -0.48 0.02 2 67 6 9 LEU CA C 57.36 0.4 1 68 6 9 LEU CB C 41.83 0.4 1 69 6 9 LEU CG C 29.2 0.4 1 70 6 9 LEU CD1 C 24.8 0.4 1 71 6 9 LEU CD2 C 23.53 0.4 1 72 6 9 LEU N N 123.6 0.4 1 73 7 10 THR H H 6.91 0.02 1 74 7 10 THR HA H 3.57 0.02 1 75 7 10 THR HB H 3.67 0.02 1 76 7 10 THR HG2 H 1.12 0.02 1 77 7 10 THR CA C 65.42 0.4 1 78 7 10 THR CB C 70.68 0.4 1 79 7 10 THR CG2 C 21.93 0.4 1 80 7 10 THR N N 112.08 0.4 1 81 8 11 GLY H H 9.04 0.02 1 82 8 11 GLY HA2 H 4.2 0.02 2 83 8 11 GLY HA3 H 3.7 0.02 2 84 8 11 GLY CA C 44.31 0.4 1 85 8 11 GLY N N 115.02 0.4 1 86 9 12 LYS H H 7.93 0.02 1 87 9 12 LYS HA H 5.21 0.02 1 88 9 12 LYS HB2 H 1.72 0.02 2 89 9 12 LYS HB3 H 1.59 0.02 2 90 9 12 LYS HG2 H 1.43 0.02 2 91 9 12 LYS HG3 H 1.43 0.02 2 92 9 12 LYS HD2 H 1.57 0.02 2 93 9 12 LYS HD3 H 1.57 0.02 2 94 9 12 LYS HE2 H 2.85 0.02 2 95 9 12 LYS HE3 H 2.85 0.02 2 96 9 12 LYS CA C 56.53 0.4 1 97 9 12 LYS CB C 36.03 0.4 1 98 9 12 LYS CG C 26.24 0.4 1 99 9 12 LYS CD C 30.15 0.4 1 100 9 12 LYS CE C 42.46 0.4 1 101 9 12 LYS N N 119.11 0.4 1 102 10 13 TRP H H 9.01 0.02 1 103 10 13 TRP HA H 5.24 0.02 1 104 10 13 TRP HB2 H 3.4 0.02 2 105 10 13 TRP HB3 H 2.66 0.02 2 106 10 13 TRP HD1 H 6.57 0.02 1 107 10 13 TRP HE1 H 10.08 0.02 1 108 10 13 TRP HE3 H 7 0.02 1 109 10 13 TRP HZ2 H 7.44 0.02 1 110 10 13 TRP HZ3 H 6.76 0.02 1 111 10 13 TRP HH2 H 6.73 0.02 1 112 10 13 TRP CA C 56.42 0.4 1 113 10 13 TRP CB C 35.92 0.4 1 114 10 13 TRP CD1 C 127.61 0.4 1 115 10 13 TRP CE3 C 119.2 0.4 1 116 10 13 TRP CZ2 C 115.13 0.4 1 117 10 13 TRP CZ3 C 121.91 0.4 1 118 10 13 TRP CH2 C 124.61 0.4 1 119 10 13 TRP N N 122.05 0.4 1 120 10 13 TRP NE1 N 129.49 0.4 1 121 11 14 THR H H 9.49 0.02 1 122 11 14 THR HA H 5.77 0.02 1 123 11 14 THR HB H 4.02 0.02 1 124 11 14 THR HG2 H 1.17 0.02 1 125 11 14 THR CA C 59.88 0.4 1 126 11 14 THR CB C 71.94 0.4 1 127 11 14 THR CG2 C 20.26 0.4 1 128 11 14 THR N N 116.08 0.4 1 129 12 15 ASN H H 8.24 0.02 1 130 12 15 ASN HA H 6.04 0.02 1 131 12 15 ASN HB2 H 2.36 0.02 2 132 12 15 ASN HB3 H 1.03 0.02 2 133 12 15 ASN CA C 50.3 0.4 1 134 12 15 ASN CB C 39.83 0.4 1 135 12 15 ASN N N 120.06 0.4 1 136 13 16 ASP H H 9.09 0.02 1 137 13 16 ASP HA H 4.42 0.02 1 138 13 16 ASP HB2 H 2.79 0.02 2 139 13 16 ASP HB3 H 2.79 0.02 2 140 13 16 ASP CA C 56.51 0.4 1 141 13 16 ASP CB C 41.19 0.4 1 142 13 16 ASP N N 115.77 0.4 1 143 14 17 LEU H H 7.55 0.02 1 144 14 17 LEU HA H 4.46 0.02 1 145 14 17 LEU HB2 H 1.59 0.02 2 146 14 17 LEU HB3 H 1.41 0.02 2 147 14 17 LEU HG H 1.37 0.02 1 148 14 17 LEU HD1 H 0.91 0.02 2 149 14 17 LEU HD2 H 0.63 0.02 2 150 14 17 LEU CA C 54.98 0.4 1 151 14 17 LEU CB C 43.63 0.4 1 152 14 17 LEU CG C 26.76 0.4 1 153 14 17 LEU CD1 C 23.05 0.4 1 154 14 17 LEU CD2 C 25.22 0.4 1 155 14 17 LEU N N 117.23 0.4 1 156 15 18 GLY H H 8.06 0.02 1 157 15 18 GLY HA2 H 4.26 0.02 2 158 15 18 GLY HA3 H 3.61 0.02 2 159 15 18 GLY CA C 45.05 0.4 1 160 15 18 GLY N N 104.81 0.4 1 161 16 19 SER H H 7.33 0.02 1 162 16 19 SER HA H 4.56 0.02 1 163 16 19 SER HB2 H 4.03 0.02 2 164 16 19 SER HB3 H 3.63 0.02 2 165 16 19 SER CA C 58.52 0.4 1 166 16 19 SER CB C 62.73 0.4 1 167 16 19 SER N N 117.33 0.4 1 168 17 20 ASN H H 8.46 0.02 1 169 17 20 ASN HA H 5.7 0.02 1 170 17 20 ASN HB2 H 2.67 0.02 2 171 17 20 ASN HB3 H 2.52 0.02 2 172 17 20 ASN CA C 52.6 0.4 1 173 17 20 ASN CB C 43.46 0.4 1 174 17 20 ASN N N 118.67 0.4 1 175 18 21 MET H H 8.84 0.02 1 176 18 21 MET HA H 5.06 0.02 1 177 18 21 MET HB2 H 1.5 0.02 2 178 18 21 MET HB3 H 1.5 0.02 2 179 18 21 MET HG2 H 1.94 0.02 2 180 18 21 MET HG3 H 1.94 0.02 2 181 18 21 MET HE H 0.31 0.02 1 182 18 21 MET CA C 54.93 0.4 1 183 18 21 MET CB C 36.84 0.4 1 184 18 21 MET CG C 32.18 0.4 1 185 18 21 MET CE C 16.12 0.4 1 186 18 21 MET N N 118.22 0.4 1 187 19 22 THR H H 8.72 0.02 1 188 19 22 THR HA H 5 0.02 1 189 19 22 THR HB H 3.93 0.02 1 190 19 22 THR HG2 H 1.03 0.02 1 191 19 22 THR CA C 62.02 0.4 1 192 19 22 THR CB C 71.22 0.4 1 193 19 22 THR CG2 C 22.07 0.4 1 194 19 22 THR N N 120.42 0.4 1 195 20 23 ILE H H 9.26 0.02 1 196 20 23 ILE HA H 4.37 0.02 1 197 20 23 ILE HB H 2.05 0.02 1 198 20 23 ILE HG12 H 1.01 0.02 2 199 20 23 ILE HG13 H 0.64 0.02 2 200 20 23 ILE HG2 H 0.44 0.02 1 201 20 23 ILE HD1 H -0.04 0.02 1 202 20 23 ILE CA C 60.88 0.4 1 203 20 23 ILE CB C 38.99 0.4 1 204 20 23 ILE CG1 C 29.44 0.4 1 205 20 23 ILE CG2 C 17.74 0.4 1 206 20 23 ILE CD1 C 12.32 0.4 1 207 20 23 ILE N N 127.47 0.4 1 208 21 24 GLY H H 8.62 0.02 1 209 21 24 GLY HA2 H 4.29 0.02 2 210 21 24 GLY HA3 H 3.87 0.02 2 211 21 24 GLY CA C 45.22 0.4 1 212 21 24 GLY N N 115.57 0.4 1 213 22 25 ALA H H 7.97 0.02 1 214 22 25 ALA HA H 4.1 0.02 1 215 22 25 ALA HB H 1.33 0.02 1 216 22 25 ALA CA C 53.4 0.4 1 217 22 25 ALA CB C 19.48 0.4 1 218 22 25 ALA N N 120.64 0.4 1 219 23 26 VAL H H 7.91 0.02 1 220 23 26 VAL HA H 4.53 0.02 1 221 23 26 VAL HB H 1.92 0.02 1 222 23 26 VAL HG1 H 1.07 0.02 2 223 23 26 VAL HG2 H 0.9 0.02 2 224 23 26 VAL CA C 62.19 0.4 1 225 23 26 VAL CB C 33.14 0.4 1 226 23 26 VAL CG1 C 22.3 0.4 1 227 23 26 VAL CG2 C 21.04 0.4 1 228 23 26 VAL N N 123.59 0.4 1 229 24 27 ASN H H 8.52 0.02 1 230 24 27 ASN HA H 4.86 0.02 1 231 24 27 ASN HB2 H 3.7 0.02 2 232 24 27 ASN HB3 H 3.19 0.02 2 233 24 27 ASN CA C 52.53 0.4 1 234 24 27 ASN CB C 39.01 0.4 1 235 24 27 ASN N N 126.06 0.4 1 236 25 28 SER HA H 4.14 0.02 1 237 25 28 SER CA C 62.75 0.4 1 238 26 29 ARG H H 7.57 0.02 1 239 26 29 ARG HA H 4.51 0.02 1 240 26 29 ARG HB2 H 2.09 0.02 2 241 26 29 ARG HB3 H 1.72 0.02 2 242 26 29 ARG HG2 H 1.62 0.02 2 243 26 29 ARG HG3 H 1.62 0.02 2 244 26 29 ARG HD2 H 3.32 0.02 2 245 26 29 ARG HD3 H 3.24 0.02 2 246 26 29 ARG CA C 56.83 0.4 1 247 26 29 ARG CB C 31.92 0.4 1 248 26 29 ARG CG C 28.66 0.4 1 249 26 29 ARG CD C 44 0.4 1 250 26 29 ARG N N 119 0.4 1 251 27 30 GLY H H 8.24 0.02 1 252 27 30 GLY HA2 H 4.83 0.02 2 253 27 30 GLY HA3 H 3.37 0.02 2 254 27 30 GLY CA C 45.93 0.4 1 255 27 30 GLY N N 107.01 0.4 1 256 28 31 GLU H H 7.84 0.02 1 257 28 31 GLU HA H 4.75 0.02 1 258 28 31 GLU HB2 H 2.11 0.02 2 259 28 31 GLU HB3 H 1.77 0.02 2 260 28 31 GLU HG2 H 2.17 0.02 2 261 28 31 GLU HG3 H 2.17 0.02 2 262 28 31 GLU CA C 55.5 0.4 1 263 28 31 GLU CB C 30.4 0.4 1 264 28 31 GLU CG C 37.09 0.4 1 265 28 31 GLU N N 120.13 0.4 1 266 29 32 PHE H H 7.97 0.02 1 267 29 32 PHE HA H 5.16 0.02 1 268 29 32 PHE HB2 H 2.85 0.02 2 269 29 32 PHE HB3 H 2.85 0.02 2 270 29 32 PHE HD1 H 6.74 0.02 1 271 29 32 PHE HD2 H 6.74 0.02 1 272 29 32 PHE HE1 H 6.61 0.02 1 273 29 32 PHE HE2 H 6.61 0.02 1 274 29 32 PHE HZ H 6.62 0.02 1 275 29 32 PHE CA C 56.34 0.4 1 276 29 32 PHE CB C 42.67 0.4 1 277 29 32 PHE CD1 C 134.01 0.4 1 278 29 32 PHE CE1 C 129.58 0.4 1 279 29 32 PHE CZ C 129.55 0.4 1 280 29 32 PHE N N 115.71 0.4 1 281 30 33 THR H H 8.57 0.02 1 282 30 33 THR HA H 5.08 0.02 1 283 30 33 THR HB H 4.37 0.02 1 284 30 33 THR HG2 H 1.25 0.02 1 285 30 33 THR CA C 59.59 0.4 1 286 30 33 THR CB C 72.55 0.4 1 287 30 33 THR CG2 C 21.96 0.4 1 288 30 33 THR N N 111.67 0.4 1 289 31 34 GLY H H 7.79 0.02 1 290 31 34 GLY HA2 H 4.5 0.02 2 291 31 34 GLY HA3 H 4.39 0.02 2 292 31 34 GLY CA C 46.97 0.4 1 293 31 34 GLY N N 105.85 0.4 1 294 32 35 THR H H 8.99 0.02 1 295 32 35 THR HA H 5.09 0.02 1 296 32 35 THR HB H 3.95 0.02 1 297 32 35 THR HG2 H 1.18 0.02 1 298 32 35 THR CA C 61.04 0.4 1 299 32 35 THR CB C 73.08 0.4 1 300 32 35 THR CG2 C 23.14 0.4 1 301 32 35 THR N N 113.03 0.4 1 302 33 36 TYR H H 9.78 0.02 1 303 33 36 TYR HA H 4.73 0.02 1 304 33 36 TYR HB2 H 3.09 0.02 2 305 33 36 TYR HB3 H 2.26 0.02 2 306 33 36 TYR HD1 H 6.81 0.02 1 307 33 36 TYR HD2 H 6.81 0.02 1 308 33 36 TYR HE1 H 6.59 0.02 1 309 33 36 TYR HE2 H 6.59 0.02 1 310 33 36 TYR CA C 58.2 0.4 1 311 33 36 TYR CB C 45.36 0.4 1 312 33 36 TYR CD1 C 133.44 0.4 1 313 33 36 TYR CD2 C 133.1 0.4 1 314 33 36 TYR CE1 C 117.69 0.4 1 315 33 36 TYR N N 126.15 0.4 1 316 34 37 ILE H H 9.37 0.02 1 317 34 37 ILE HA H 4.86 0.02 1 318 34 37 ILE HB H 1.89 0.02 1 319 34 37 ILE HG12 H 1.43 0.02 2 320 34 37 ILE HG13 H 1.1 0.02 2 321 34 37 ILE HG2 H 0.9 0.02 1 322 34 37 ILE HD1 H 0.91 0.02 1 323 34 37 ILE CA C 60.44 0.4 1 324 34 37 ILE CB C 40.03 0.4 1 325 34 37 ILE CG1 C 28.96 0.4 1 326 34 37 ILE CG2 C 18.73 0.4 1 327 34 37 ILE CD1 C 14.49 0.4 1 328 34 37 ILE N N 131.89 0.4 1 329 35 38 THR H H 8.16 0.02 1 330 35 38 THR HA H 5.14 0.02 1 331 35 38 THR HB H 4.54 0.02 1 332 35 38 THR HG2 H 1.39 0.02 1 333 35 38 THR CA C 59.47 0.4 1 334 35 38 THR CB C 70.8 0.4 1 335 35 38 THR CG2 C 20.82 0.4 1 336 35 38 THR N N 120.56 0.4 1 337 36 39 ALA H H 8.29 0.02 1 338 36 39 ALA HA H 4.27 0.02 1 339 36 39 ALA HB H 1.2 0.02 1 340 36 39 ALA CA C 53.4 0.4 1 341 36 39 ALA CB C 21.13 0.4 1 342 36 39 ALA N N 129.46 0.4 1 343 37 40 VAL H H 7.07 0.02 1 344 37 40 VAL HA H 4.61 0.02 1 345 37 40 VAL HB H 1.9 0.02 1 346 37 40 VAL HG1 H 0.72 0.02 2 347 37 40 VAL HG2 H -0.78 0.02 2 348 37 40 VAL CA C 58.45 0.4 1 349 37 40 VAL CB C 36.18 0.4 1 350 37 40 VAL CG1 C 22.44 0.4 1 351 37 40 VAL CG2 C 17.61 0.4 1 352 37 40 VAL N N 105.3 0.4 1 353 38 41 ALA H H 8.35 0.02 1 354 38 41 ALA HA H 4.45 0.02 1 355 38 41 ALA HB H 1.24 0.02 1 356 38 41 ALA CA C 52.64 0.4 1 357 38 41 ALA CB C 24 0.4 1 358 38 41 ALA N N 120.5 0.4 1 359 39 42 ASP H H 9.54 0.02 1 360 39 42 ASP HA H 4.58 0.02 1 361 39 42 ASP HB2 H 2.81 0.02 2 362 39 42 ASP HB3 H 2.64 0.02 2 363 39 42 ASP CA C 58.64 0.4 1 364 39 42 ASP CB C 40.65 0.4 1 365 39 42 ASP N N 121.14 0.4 1 366 40 43 ASN H H 8.15 0.02 1 367 40 43 ASN HA H 5.19 0.02 1 368 40 43 ASN HB2 H 2.88 0.02 2 369 40 43 ASN HB3 H 2.72 0.02 2 370 40 43 ASN CA C 50.84 0.4 1 371 40 43 ASN CB C 39.65 0.4 1 372 40 43 ASN N N 115.39 0.4 1 373 41 44 PRO HA H 4.04 0.02 1 374 41 44 PRO HB2 H 2.26 0.02 2 375 41 44 PRO HB3 H 2.05 0.02 2 376 41 44 PRO HG2 H 2.13 0.02 2 377 41 44 PRO HG3 H 2.07 0.02 2 378 41 44 PRO HD2 H 3.81 0.02 2 379 41 44 PRO HD3 H 3.68 0.02 2 380 41 44 PRO CA C 64.65 0.4 1 381 41 44 PRO CB C 32.64 0.4 1 382 41 44 PRO CG C 27.85 0.4 1 383 41 44 PRO CD C 51.31 0.4 1 384 42 45 GLY H H 8.26 0.02 1 385 42 45 GLY HA2 H 4 0.02 2 386 42 45 GLY HA3 H 3.85 0.02 2 387 42 45 GLY CA C 46.84 0.4 1 388 42 45 GLY N N 106.08 0.4 1 389 43 46 ASN H H 7.51 0.02 1 390 43 46 ASN HA H 4.79 0.02 1 391 43 46 ASN HB2 H 3.03 0.02 2 392 43 46 ASN HB3 H 2.68 0.02 2 393 43 46 ASN CA C 52.64 0.4 1 394 43 46 ASN CB C 40.02 0.4 1 395 43 46 ASN N N 116.23 0.4 1 396 44 47 ILE H H 6.81 0.02 1 397 44 47 ILE HA H 1.45 0.02 1 398 44 47 ILE HB H 1.28 0.02 1 399 44 47 ILE HG12 H 1.11 0.02 2 400 44 47 ILE HG13 H 0.11 0.02 2 401 44 47 ILE HG2 H 0.73 0.02 1 402 44 47 ILE HD1 H 0.55 0.02 1 403 44 47 ILE CA C 64.61 0.4 1 404 44 47 ILE CB C 39.19 0.4 1 405 44 47 ILE CG1 C 29.64 0.4 1 406 44 47 ILE CG2 C 18.25 0.4 1 407 44 47 ILE CD1 C 13.77 0.4 1 408 44 47 ILE N N 118.58 0.4 1 409 45 48 THR H H 6.54 0.02 1 410 45 48 THR HA H 4.64 0.02 1 411 45 48 THR HB H 4.32 0.02 1 412 45 48 THR HG2 H 1.33 0.02 1 413 45 48 THR CA C 60.42 0.4 1 414 45 48 THR CB C 72.53 0.4 1 415 45 48 THR CG2 C 21.44 0.4 1 416 45 48 THR N N 118.04 0.4 1 417 46 49 LEU HA H 4.23 0.02 1 418 46 49 LEU HB2 H 1.79 0.02 2 419 46 49 LEU HB3 H 1.79 0.02 2 420 46 49 LEU HG H 1.63 0.02 1 421 46 49 LEU HD1 H 0.98 0.02 2 422 46 49 LEU HD2 H 0.96 0.02 2 423 46 49 LEU CA C 58.67 0.4 1 424 46 49 LEU CB C 43.69 0.4 1 425 46 49 LEU CG C 28.11 0.4 1 426 46 49 LEU CD1 C 26.03 0.4 1 427 46 49 LEU CD2 C 26.03 0.4 1 428 47 50 SER H H 8.38 0.02 1 429 47 50 SER HA H 5.54 0.02 1 430 47 50 SER HB2 H 4.3 0.02 2 431 47 50 SER HB3 H 3.71 0.02 2 432 47 50 SER CA C 57.37 0.4 1 433 47 50 SER CB C 67.13 0.4 1 434 47 50 SER N N 119.45 0.4 1 435 48 51 PRO HA H 5.06 0.02 1 436 48 51 PRO HB2 H 2.32 0.02 2 437 48 51 PRO HB3 H 2.1 0.02 2 438 48 51 PRO HG2 H 2.27 0.02 2 439 48 51 PRO HG3 H 2.18 0.02 2 440 48 51 PRO HD2 H 4.49 0.02 2 441 48 51 PRO HD3 H 3.81 0.02 2 442 48 51 PRO CA C 63.37 0.4 1 443 48 51 PRO CB C 34.26 0.4 1 444 48 51 PRO CG C 27.86 0.4 1 445 48 51 PRO CD C 51.17 0.4 1 446 49 52 LEU H H 7.73 0.02 1 447 49 52 LEU HA H 5.61 0.02 1 448 49 52 LEU HB2 H 1.46 0.02 2 449 49 52 LEU HB3 H 1.2 0.02 2 450 49 52 LEU HG H 1.1 0.02 1 451 49 52 LEU HD1 H 0.34 0.02 2 452 49 52 LEU HD2 H 0.22 0.02 2 453 49 52 LEU CA C 52.94 0.4 1 454 49 52 LEU CB C 48.38 0.4 1 455 49 52 LEU CG C 26.01 0.4 1 456 49 52 LEU CD1 C 29.4 0.4 1 457 49 52 LEU CD2 C 25.09 0.4 1 458 49 52 LEU N N 113.7 0.4 1 459 50 53 LEU H H 8.13 0.02 1 460 50 53 LEU HA H 5.01 0.02 1 461 50 53 LEU HB2 H 1.51 0.02 2 462 50 53 LEU HB3 H 1.36 0.02 2 463 50 53 LEU HG H 1.26 0.02 1 464 50 53 LEU HD1 H 0.71 0.02 2 465 50 53 LEU HD2 H 0.82 0.02 2 466 50 53 LEU CA C 55.54 0.4 1 467 50 53 LEU CB C 47.89 0.4 1 468 50 53 LEU CG C 28.29 0.4 1 469 50 53 LEU CD1 C 26.94 0.4 1 470 50 53 LEU CD2 C 24.77 0.4 1 471 50 53 LEU N N 120.53 0.4 1 472 51 54 GLY H H 8.53 0.02 1 473 51 54 GLY HA2 H 4.13 0.02 2 474 51 54 GLY HA3 H 3.94 0.02 2 475 51 54 GLY CA C 46.23 0.4 1 476 51 54 GLY N N 116.48 0.4 1 477 52 55 ILE H H 8.03 0.02 1 478 52 55 ILE HA H 4.86 0.02 1 479 52 55 ILE HB H 1.32 0.02 1 480 52 55 ILE HG12 H 1.3 0.02 2 481 52 55 ILE HG13 H 0.74 0.02 2 482 52 55 ILE HG2 H 0.78 0.02 1 483 52 55 ILE HD1 H 0.71 0.02 1 484 52 55 ILE CA C 61.06 0.4 1 485 52 55 ILE CB C 43.64 0.4 1 486 52 55 ILE CG1 C 28.39 0.4 1 487 52 55 ILE CG2 C 18.93 0.4 1 488 52 55 ILE CD1 C 14.84 0.4 1 489 52 55 ILE N N 112.97 0.4 1 490 53 56 GLN H H 9.67 0.02 1 491 53 56 GLN HA H 5.51 0.02 1 492 53 56 GLN HB2 H 2.29 0.02 2 493 53 56 GLN HB3 H 2.29 0.02 2 494 53 56 GLN HG2 H 2.49 0.02 2 495 53 56 GLN HG3 H 2.1 0.02 2 496 53 56 GLN CA C 53.99 0.4 1 497 53 56 GLN CB C 36.03 0.4 1 498 53 56 GLN CG C 35.03 0.4 1 499 53 56 GLN N N 125.79 0.4 1 500 54 57 HIS H H 7.61 0.02 1 501 54 57 HIS HA H 4.57 0.02 1 502 54 57 HIS HB2 H 3.56 0.02 2 503 54 57 HIS HB3 H 3.22 0.02 2 504 54 57 HIS HD2 H 7.15 0.02 1 505 54 57 HIS HE1 H 8.97 0.02 1 506 54 57 HIS CA C 58.74 0.4 1 507 54 57 HIS CB C 31.74 0.4 1 508 54 57 HIS CD2 C 119.81 0.4 1 509 54 57 HIS CE1 C 141.24 0.4 1 510 54 57 HIS N N 118.99 0.4 1 511 57 58 LYS HA H 4.29 0.02 1 512 57 58 LYS HG2 H 1.38 0.02 2 513 57 58 LYS HG3 H 1.38 0.02 2 514 57 58 LYS HE2 H 3 0.02 2 515 57 58 LYS HE3 H 3 0.02 2 516 57 58 LYS CA C 61.67 0.4 1 517 58 59 ARG HA H 4.27 0.02 1 518 58 59 ARG HB2 H 2.03 0.02 2 519 58 59 ARG HB3 H 1.97 0.02 2 520 58 59 ARG HG2 H 1.73 0.02 2 521 58 59 ARG HG3 H 1.69 0.02 2 522 58 59 ARG HD2 H 3.29 0.02 2 523 58 59 ARG HD3 H 3.29 0.02 2 524 58 59 ARG CA C 58.32 0.4 1 525 58 59 ARG CB C 30.83 0.4 1 526 58 59 ARG CG C 28.26 0.4 1 527 59 60 ALA H H 7.31 0.02 1 528 59 60 ALA HA H 4.43 0.02 1 529 59 60 ALA HB H 1.39 0.02 1 530 59 60 ALA CA C 52.7 0.4 1 531 59 60 ALA CB C 21.1 0.4 1 532 59 60 ALA N N 120.94 0.4 1 533 61 62 GLN H H 7.83 0.02 1 534 61 62 GLN HA H 5.17 0.02 1 535 61 62 GLN HB2 H 2.33 0.02 2 536 61 62 GLN HB3 H 2.1 0.02 2 537 61 62 GLN HG2 H 2.59 0.02 2 538 61 62 GLN HG3 H 2.29 0.02 2 539 61 62 GLN CA C 54.78 0.4 1 540 61 62 GLN CB C 31.11 0.4 1 541 61 62 GLN CG C 36.89 0.4 1 542 61 62 GLN N N 117.91 0.4 1 543 62 63 PRO HA H 4.44 0.02 1 544 62 63 PRO HB2 H 2.47 0.02 2 545 62 63 PRO HB3 H 2.31 0.02 2 546 62 63 PRO HG2 H 2.22 0.02 2 547 62 63 PRO HG3 H 1.95 0.02 2 548 62 63 PRO HD2 H 3.82 0.02 2 549 62 63 PRO HD3 H 3.58 0.02 2 550 62 63 PRO CA C 64.06 0.4 1 551 62 63 PRO CB C 34.7 0.4 1 552 62 63 PRO CG C 27.19 0.4 1 553 62 63 PRO CD C 51.93 0.4 1 554 63 64 THR H H 8.48 0.02 1 555 63 64 THR HA H 5.33 0.02 1 556 63 64 THR HB H 4.35 0.02 1 557 63 64 THR HG2 H 1.15 0.02 1 558 63 64 THR CA C 61.33 0.4 1 559 63 64 THR CB C 72.38 0.4 1 560 63 64 THR CG2 C 22.29 0.4 1 561 63 64 THR N N 108.98 0.4 1 562 64 65 PHE H H 7.73 0.02 1 563 64 65 PHE HA H 5.56 0.02 1 564 64 65 PHE HB2 H 3.13 0.02 2 565 64 65 PHE HB3 H 3.08 0.02 2 566 64 65 PHE HD1 H 6.82 0.02 1 567 64 65 PHE HD2 H 6.82 0.02 1 568 64 65 PHE HE1 H 6.72 0.02 1 569 64 65 PHE HE2 H 6.72 0.02 1 570 64 65 PHE CA C 57.26 0.4 1 571 64 65 PHE CB C 43.65 0.4 1 572 64 65 PHE CD1 C 132.97 0.4 1 573 64 65 PHE CD2 C 132.75 0.4 1 574 64 65 PHE CE1 C 129.91 0.4 1 575 64 65 PHE CE2 C 129.75 0.4 1 576 64 65 PHE N N 111.96 0.4 1 577 65 66 GLY H H 8.75 0.02 1 578 65 66 GLY HA2 H 5.28 0.02 2 579 65 66 GLY HA3 H 3.72 0.02 2 580 65 66 GLY CA C 46.18 0.4 1 581 65 66 GLY N N 108.51 0.4 1 582 66 67 PHE H H 8.92 0.02 1 583 66 67 PHE HA H 5.07 0.02 1 584 66 67 PHE HB2 H 3.32 0.02 2 585 66 67 PHE HB3 H 2.58 0.02 2 586 66 67 PHE HD1 H 6.72 0.02 1 587 66 67 PHE HD2 H 6.72 0.02 1 588 66 67 PHE HE1 H 6.39 0.02 1 589 66 67 PHE HE2 H 6.39 0.02 1 590 66 67 PHE HZ H 5.94 0.02 1 591 66 67 PHE CA C 58.08 0.4 1 592 66 67 PHE CB C 42.23 0.4 1 593 66 67 PHE CD1 C 132.11 0.4 1 594 66 67 PHE CD2 C 132.05 0.4 1 595 66 67 PHE CE1 C 131.18 0.4 1 596 66 67 PHE CE2 C 131.23 0.4 1 597 66 67 PHE CZ C 130.86 0.4 1 598 66 67 PHE N N 112.24 0.4 1 599 67 68 THR H H 8.2 0.02 1 600 67 68 THR HA H 4.91 0.02 1 601 67 68 THR HB H 3.67 0.02 1 602 67 68 THR HG2 H 1.01 0.02 1 603 67 68 THR CA C 63.19 0.4 1 604 67 68 THR CB C 71.93 0.4 1 605 67 68 THR CG2 C 22.81 0.4 1 606 67 68 THR N N 116.07 0.4 1 607 68 69 VAL H H 9.16 0.02 1 608 68 69 VAL HA H 4.15 0.02 1 609 68 69 VAL HB H 0.9 0.02 1 610 68 69 VAL HG1 H 0.46 0.02 2 611 68 69 VAL HG2 H -0.9 0.02 2 612 68 69 VAL CA C 61.94 0.4 1 613 68 69 VAL CB C 34.09 0.4 1 614 68 69 VAL CG1 C 21.67 0.4 1 615 68 69 VAL CG2 C 19.36 0.4 1 616 68 69 VAL N N 124.11 0.4 1 617 69 70 ASN H H 7.24 0.02 1 618 69 70 ASN HA H 4.52 0.02 1 619 69 70 ASN HB2 H 2.46 0.02 2 620 69 70 ASN HB3 H 2.15 0.02 2 621 69 70 ASN CA C 51.95 0.4 1 622 69 70 ASN CB C 42.09 0.4 1 623 69 70 ASN N N 125.59 0.4 1 624 70 71 TRP H H 6.09 0.02 1 625 70 71 TRP HA H 4.45 0.02 1 626 70 71 TRP HB2 H 2.91 0.02 2 627 70 71 TRP HB3 H 2.11 0.02 2 628 70 71 TRP HD1 H 6.74 0.02 1 629 70 71 TRP HE1 H 10.26 0.02 1 630 70 71 TRP HE3 H 8.06 0.02 1 631 70 71 TRP HZ2 H 7.12 0.02 1 632 70 71 TRP HZ3 H 7.41 0.02 1 633 70 71 TRP HH2 H 6.78 0.02 1 634 70 71 TRP CA C 57.63 0.4 1 635 70 71 TRP CB C 29.73 0.4 1 636 70 71 TRP CD1 C 127.47 0.4 1 637 70 71 TRP CE3 C 122.77 0.4 1 638 70 71 TRP CZ2 C 114.92 0.4 1 639 70 71 TRP CZ3 C 122.12 0.4 1 640 70 71 TRP CH2 C 125.2 0.4 1 641 70 71 TRP N N 122.22 0.4 1 642 70 71 TRP NE1 N 126.41 0.4 1 643 71 72 LYS H H 8.22 0.02 1 644 71 72 LYS HA H 4.51 0.02 1 645 71 72 LYS HB2 H 2.19 0.02 2 646 71 72 LYS HB3 H 2.01 0.02 2 647 71 72 LYS HG2 H 2.02 0.02 2 648 71 72 LYS HG3 H 1.89 0.02 2 649 71 72 LYS HD2 H 1.95 0.02 2 650 71 72 LYS HD3 H 1.95 0.02 2 651 71 72 LYS HE2 H 3.18 0.02 2 652 71 72 LYS HE3 H 3.18 0.02 2 653 71 72 LYS CA C 57.36 0.4 1 654 71 72 LYS CB C 33.28 0.4 1 655 71 72 LYS CG C 25.91 0.4 1 656 71 72 LYS CD C 28.87 0.4 1 657 71 72 LYS CE C 43.65 0.4 1 658 71 72 LYS N N 119.01 0.4 1 659 72 73 PHE H H 6.91 0.02 1 660 72 73 PHE HA H 5.04 0.02 1 661 72 73 PHE HB2 H 3.63 0.02 2 662 72 73 PHE HB3 H 2.97 0.02 2 663 72 73 PHE HD1 H 7.36 0.02 1 664 72 73 PHE HD2 H 7.36 0.02 1 665 72 73 PHE HE1 H 7.65 0.02 1 666 72 73 PHE HE2 H 7.65 0.02 1 667 72 73 PHE HZ H 6.83 0.02 1 668 72 73 PHE CA C 54.67 0.4 1 669 72 73 PHE CB C 41.01 0.4 1 670 72 73 PHE CD1 C 132.9 0.4 1 671 72 73 PHE CD2 C 132.71 0.4 1 672 72 73 PHE CE1 C 132.95 0.4 1 673 72 73 PHE CZ C 131.12 0.4 1 674 72 73 PHE N N 110.38 0.4 1 675 73 74 SER H H 7.43 0.02 1 676 73 74 SER HA H 4.75 0.02 1 677 73 74 SER HB2 H 3.93 0.02 2 678 73 74 SER HB3 H 3.48 0.02 2 679 73 74 SER CA C 56.89 0.4 1 680 73 74 SER CB C 66.71 0.4 1 681 73 74 SER N N 118.43 0.4 1 682 74 75 GLU HA H 3.8 0.02 1 683 74 75 GLU HB2 H 2.22 0.02 2 684 74 75 GLU HB3 H 1.81 0.02 2 685 74 75 GLU HG2 H 2.26 0.02 2 686 74 75 GLU HG3 H 2.08 0.02 2 687 74 75 GLU CA C 56.29 0.4 1 688 74 75 GLU CB C 30.04 0.4 1 689 74 75 GLU CG C 37.39 0.4 1 690 75 76 SER H H 8.01 0.02 1 691 75 76 SER HA H 5.05 0.02 1 692 75 76 SER HB2 H 3.93 0.02 2 693 75 76 SER HB3 H 3.74 0.02 2 694 75 76 SER CA C 59.04 0.4 1 695 75 76 SER CB C 65.21 0.4 1 696 75 76 SER N N 117.02 0.4 1 697 76 77 THR H H 9.13 0.02 1 698 76 77 THR HA H 4.91 0.02 1 699 76 77 THR HB H 3.65 0.02 1 700 76 77 THR HG2 H 1.1 0.02 1 701 76 77 THR CA C 64.89 0.4 1 702 76 77 THR CB C 74.75 0.4 1 703 76 77 THR CG2 C 22.74 0.4 1 704 76 77 THR N N 119.79 0.4 1 705 77 78 THR H H 7.83 0.02 1 706 77 78 THR HA H 5.93 0.02 1 707 77 78 THR HB H 3.96 0.02 1 708 77 78 THR HG2 H 0.77 0.02 1 709 77 78 THR CA C 61.62 0.4 1 710 77 78 THR CB C 72.05 0.4 1 711 77 78 THR CG2 C 26.9 0.4 1 712 77 78 THR N N 119.13 0.4 1 713 78 79 VAL H H 8.85 0.02 1 714 78 79 VAL HA H 5.46 0.02 1 715 78 79 VAL HB H 1.82 0.02 1 716 78 79 VAL HG1 H 1.14 0.02 2 717 78 79 VAL HG2 H 0.85 0.02 2 718 78 79 VAL CA C 59.33 0.4 1 719 78 79 VAL CB C 34.96 0.4 1 720 78 79 VAL CG1 C 22.99 0.4 1 721 78 79 VAL CG2 C 20.78 0.4 1 722 78 79 VAL N N 117.88 0.4 1 723 79 80 PHE H H 8.72 0.02 1 724 79 80 PHE HA H 5.27 0.02 1 725 79 80 PHE HB2 H 2.86 0.02 2 726 79 80 PHE HB3 H 2.55 0.02 2 727 79 80 PHE HD1 H 6.6 0.02 1 728 79 80 PHE HD2 H 6.6 0.02 1 729 79 80 PHE HE1 H 6.98 0.02 1 730 79 80 PHE HE2 H 6.98 0.02 1 731 79 80 PHE CA C 56.36 0.4 1 732 79 80 PHE CB C 45.11 0.4 1 733 79 80 PHE CD1 C 129.3 0.4 1 734 79 80 PHE CD2 C 129.3 0.4 1 735 79 80 PHE CE1 C 130.91 0.4 1 736 79 80 PHE CE2 C 130.91 0.4 1 737 79 80 PHE N N 118.81 0.4 1 738 80 81 THR H H 9.04 0.02 1 739 80 81 THR HA H 4.94 0.02 1 740 80 81 THR HB H 4.11 0.02 1 741 80 81 THR HG2 H 0.98 0.02 1 742 80 81 THR CA C 60.4 0.4 1 743 80 81 THR CB C 70.89 0.4 1 744 80 81 THR CG2 C 20.44 0.4 1 745 80 81 THR N N 112.35 0.4 1 746 81 82 GLY H H 7.05 0.02 1 747 81 82 GLY HA2 H 4.59 0.02 2 748 81 82 GLY HA3 H 4.02 0.02 2 749 81 82 GLY CA C 47.19 0.4 1 750 81 82 GLY N N 112.04 0.4 1 751 82 83 GLN H H 7.95 0.02 1 752 82 83 GLN HA H 4.78 0.02 1 753 82 83 GLN HB2 H 1.56 0.02 2 754 82 83 GLN HB3 H 1.36 0.02 2 755 82 83 GLN HG2 H 1.8 0.02 2 756 82 83 GLN HG3 H 1.8 0.02 2 757 82 83 GLN CA C 54.52 0.4 1 758 82 83 GLN CB C 32.03 0.4 1 759 82 83 GLN CG C 32.36 0.4 1 760 82 83 GLN N N 119.37 0.4 1 761 83 84 CYS H H 7.74 0.02 1 762 83 84 CYS HA H 5.03 0.02 1 763 83 84 CYS HB2 H 3.13 0.02 2 764 83 84 CYS HB3 H 2.27 0.02 2 765 83 84 CYS CA C 55.35 0.4 1 766 83 84 CYS CB C 39.79 0.4 1 767 83 84 CYS N N 125.63 0.4 1 768 84 85 PHE H H 9.09 0.02 1 769 84 85 PHE HA H 5 0.02 1 770 84 85 PHE HB2 H 3.05 0.02 2 771 84 85 PHE HB3 H 2.76 0.02 2 772 84 85 PHE HD1 H 7.19 0.02 1 773 84 85 PHE HD2 H 7.19 0.02 1 774 84 85 PHE HE1 H 7.14 0.02 1 775 84 85 PHE HE2 H 7.14 0.02 1 776 84 85 PHE HZ H 6.69 0.02 1 777 84 85 PHE CA C 57.99 0.4 1 778 84 85 PHE CB C 43.88 0.4 1 779 84 85 PHE CD1 C 132.51 0.4 1 780 84 85 PHE CE1 C 131.19 0.4 1 781 84 85 PHE CE2 C 131.01 0.4 1 782 84 85 PHE CZ C 129.29 0.4 1 783 84 85 PHE N N 121.51 0.4 1 784 85 86 ILE H H 8.53 0.02 1 785 85 86 ILE HA H 4.8 0.02 1 786 85 86 ILE HB H 1.82 0.02 1 787 85 86 ILE HG12 H 1.47 0.02 2 788 85 86 ILE HG13 H 1.19 0.02 2 789 85 86 ILE HG2 H 0.96 0.02 1 790 85 86 ILE HD1 H 0.75 0.02 1 791 85 86 ILE CA C 60.15 0.4 1 792 85 86 ILE CB C 39.08 0.4 1 793 85 86 ILE CG1 C 28.37 0.4 1 794 85 86 ILE CG2 C 18.16 0.4 1 795 85 86 ILE CD1 C 13.61 0.4 1 796 85 86 ILE N N 119.14 0.4 1 797 86 87 ASP H H 8.96 0.02 1 798 86 87 ASP HA H 4.7 0.02 1 799 86 87 ASP HB2 H 3.31 0.02 2 800 86 87 ASP HB3 H 2.77 0.02 2 801 86 87 ASP CA C 53.53 0.4 1 802 86 87 ASP CB C 42.14 0.4 1 803 86 87 ASP N N 127.67 0.4 1 804 87 88 ARG H H 8.47 0.02 1 805 87 88 ARG HA H 4.17 0.02 1 806 87 88 ARG HB2 H 1.92 0.02 2 807 87 88 ARG HB3 H 1.92 0.02 2 808 87 88 ARG HG2 H 1.74 0.02 2 809 87 88 ARG HG3 H 1.74 0.02 2 810 87 88 ARG HD2 H 3.27 0.02 2 811 87 88 ARG HD3 H 3.27 0.02 2 812 87 88 ARG CA C 58.88 0.4 1 813 87 88 ARG CB C 30.38 0.4 1 814 87 88 ARG CG C 27.79 0.4 1 815 87 88 ARG CD C 43.99 0.4 1 816 87 88 ARG N N 116.46 0.4 1 817 88 89 ASN H H 8.31 0.02 1 818 88 89 ASN HA H 4.89 0.02 1 819 88 89 ASN HB2 H 3.01 0.02 2 820 88 89 ASN HB3 H 2.92 0.02 2 821 88 89 ASN CA C 53.47 0.4 1 822 88 89 ASN CB C 40.13 0.4 1 823 88 89 ASN N N 115.95 0.4 1 824 89 90 GLY H H 8.27 0.02 1 825 89 90 GLY HA2 H 4.21 0.02 2 826 89 90 GLY HA3 H 3.58 0.02 2 827 89 90 GLY CA C 46.32 0.4 1 828 89 90 GLY N N 108.4 0.4 1 829 90 91 LYS H H 8.32 0.02 1 830 90 91 LYS HA H 4.4 0.02 1 831 90 91 LYS HB2 H 1.99 0.02 2 832 90 91 LYS HB3 H 1.77 0.02 2 833 90 91 LYS HG2 H 1.42 0.02 2 834 90 91 LYS HG3 H 1.42 0.02 2 835 90 91 LYS HE2 H 3.02 0.02 2 836 90 91 LYS HE3 H 3.02 0.02 2 837 90 91 LYS CA C 56.33 0.4 1 838 90 91 LYS CB C 34.4 0.4 1 839 90 91 LYS CG C 25.82 0.4 1 840 90 91 LYS N N 121.64 0.4 1 841 91 92 GLU H H 8.35 0.02 1 842 91 92 GLU HA H 5.28 0.02 1 843 91 92 GLU HB2 H 2.33 0.02 2 844 91 92 GLU HB3 H 2.17 0.02 2 845 91 92 GLU HG2 H 2.41 0.02 2 846 91 92 GLU HG3 H 2.34 0.02 2 847 91 92 GLU CA C 56.59 0.4 1 848 91 92 GLU CB C 33.77 0.4 1 849 91 92 GLU CG C 38.35 0.4 1 850 91 92 GLU N N 121.72 0.4 1 851 92 93 VAL H H 9.31 0.02 1 852 92 93 VAL HA H 5.11 0.02 1 853 92 93 VAL HB H 2.18 0.02 1 854 92 93 VAL HG1 H 1.1 0.02 2 855 92 93 VAL HG2 H 1.1 0.02 2 856 92 93 VAL CA C 61.42 0.4 1 857 92 93 VAL CB C 37.26 0.4 1 858 92 93 VAL CG1 C 22.21 0.4 1 859 92 93 VAL N N 121.55 0.4 1 860 93 94 LEU H H 9.18 0.02 1 861 93 94 LEU HA H 5.42 0.02 1 862 93 94 LEU HB2 H 1.93 0.02 2 863 93 94 LEU HB3 H 0.98 0.02 2 864 93 94 LEU HG H 0.66 0.02 1 865 93 94 LEU HD1 H 0.06 0.02 2 866 93 94 LEU HD2 H -1.18 0.02 2 867 93 94 LEU CA C 53.26 0.4 1 868 93 94 LEU CB C 42.22 0.4 1 869 93 94 LEU CG C 26.15 0.4 1 870 93 94 LEU CD1 C 24.63 0.4 1 871 93 94 LEU CD2 C 23.2 0.4 1 872 93 94 LEU N N 121.11 0.4 1 873 94 95 LYS H H 8.18 0.02 1 874 94 95 LYS HA H 5.03 0.02 1 875 94 95 LYS HB2 H 2.5 0.02 2 876 94 95 LYS HB3 H 2.38 0.02 2 877 94 95 LYS HG2 H 1.8 0.02 2 878 94 95 LYS HG3 H 1.71 0.02 2 879 94 95 LYS HD2 H 1.93 0.02 2 880 94 95 LYS HD3 H 1.85 0.02 2 881 94 95 LYS HE2 H 3.21 0.02 2 882 94 95 LYS HE3 H 3.17 0.02 2 883 94 95 LYS CA C 56.52 0.4 1 884 94 95 LYS CB C 32 0.4 1 885 94 95 LYS CG C 25.37 0.4 1 886 94 95 LYS CD C 28.4 0.4 1 887 94 95 LYS CE C 42.19 0.4 1 888 94 95 LYS N N 124.93 0.4 1 889 95 96 THR H H 8.29 0.02 1 890 95 96 THR HA H 5.89 0.02 1 891 95 96 THR HB H 4.48 0.02 1 892 95 96 THR HG2 H 1.27 0.02 1 893 95 96 THR CA C 60.47 0.4 1 894 95 96 THR CB C 74.84 0.4 1 895 95 96 THR CG2 C 23.7 0.4 1 896 95 96 THR N N 109.71 0.4 1 897 96 97 MET H H 9.1 0.02 1 898 96 97 MET HA H 5.25 0.02 1 899 96 97 MET HB2 H 2.12 0.02 2 900 96 97 MET HB3 H 1.68 0.02 2 901 96 97 MET HG2 H 2.78 0.02 2 902 96 97 MET HG3 H 2.7 0.02 2 903 96 97 MET HE H 1.7 0.02 1 904 96 97 MET CA C 55.79 0.4 1 905 96 97 MET CB C 37.72 0.4 1 906 96 97 MET CG C 34.25 0.4 1 907 96 97 MET CE C 17.83 0.4 1 908 96 97 MET N N 119.36 0.4 1 909 97 98 TRP H H 8 0.02 1 910 97 98 TRP HA H 5.54 0.02 1 911 97 98 TRP HB2 H 2.19 0.02 2 912 97 98 TRP HB3 H 2 0.02 2 913 97 98 TRP HD1 H 6.61 0.02 1 914 97 98 TRP HE1 H 8.51 0.02 1 915 97 98 TRP HE3 H 7.64 0.02 1 916 97 98 TRP HZ2 H 7.62 0.02 1 917 97 98 TRP HZ3 H 6.9 0.02 1 918 97 98 TRP HH2 H 6.62 0.02 1 919 97 98 TRP CA C 54 0.4 1 920 97 98 TRP CB C 33.7 0.4 1 921 97 98 TRP CD1 C 129.24 0.4 1 922 97 98 TRP CE3 C 125.19 0.4 1 923 97 98 TRP CZ2 C 114.72 0.4 1 924 97 98 TRP CZ3 C 123.17 0.4 1 925 97 98 TRP CH2 C 122.19 0.4 1 926 97 98 TRP N N 116.21 0.4 1 927 97 98 TRP NE1 N 130.76 0.4 1 928 98 99 LEU H H 8.19 0.02 1 929 98 99 LEU HA H 5.54 0.02 1 930 98 99 LEU HB2 H 1.72 0.02 2 931 98 99 LEU HB3 H 0.97 0.02 2 932 98 99 LEU HG H 1.46 0.02 1 933 98 99 LEU HD1 H 0.57 0.02 2 934 98 99 LEU HD2 H 0.68 0.02 2 935 98 99 LEU CA C 54.05 0.4 1 936 98 99 LEU CB C 46.7 0.4 1 937 98 99 LEU CG C 26.43 0.4 1 938 98 99 LEU CD1 C 27.29 0.4 1 939 98 99 LEU CD2 C 23.78 0.4 1 940 98 99 LEU N N 114.29 0.4 1 941 99 100 LEU H H 9.34 0.02 1 942 99 100 LEU HA H 5.21 0.02 1 943 99 100 LEU HB2 H 1.96 0.02 2 944 99 100 LEU HB3 H 1.44 0.02 2 945 99 100 LEU HG H 1.74 0.02 1 946 99 100 LEU HD1 H 0.75 0.02 2 947 99 100 LEU HD2 H 0.74 0.02 2 948 99 100 LEU CA C 54.44 0.4 1 949 99 100 LEU CB C 46.41 0.4 1 950 99 100 LEU CG C 28.81 0.4 1 951 99 100 LEU CD1 C 26.71 0.4 1 952 99 100 LEU CD2 C 24.72 0.4 1 953 99 100 LEU N N 126.14 0.4 1 954 100 101 ARG H H 9.83 0.02 1 955 100 101 ARG HA H 5.25 0.02 1 956 100 101 ARG HB2 H 1.98 0.02 2 957 100 101 ARG HB3 H 1.71 0.02 2 958 100 101 ARG HG2 H 1.26 0.02 2 959 100 101 ARG HG3 H 1.26 0.02 2 960 100 101 ARG HD2 H 3.32 0.02 2 961 100 101 ARG HD3 H 3.32 0.02 2 962 100 101 ARG CA C 53.96 0.4 1 963 100 101 ARG CB C 33.88 0.4 1 964 100 101 ARG N N 131.69 0.4 1 965 101 102 SER H H 9.33 0.02 1 966 101 102 SER HA H 4.89 0.02 1 967 101 102 SER HB2 H 3.82 0.02 2 968 101 102 SER HB3 H 3.68 0.02 2 969 101 102 SER CA C 58.34 0.4 1 970 101 102 SER CB C 65.3 0.4 1 971 101 102 SER N N 123.47 0.4 1 972 102 103 SER H H 8.64 0.02 1 973 102 103 SER HA H 4.34 0.02 1 974 102 103 SER HB2 H 3.68 0.02 2 975 102 103 SER HB3 H 3.57 0.02 2 976 102 103 SER CA C 57.77 0.4 1 977 102 103 SER CB C 64.02 0.4 1 978 102 103 SER N N 115.73 0.4 1 979 103 104 VAL H H 8.65 0.02 1 980 103 104 VAL HA H 4.84 0.02 1 981 103 104 VAL HB H 2.45 0.02 1 982 103 104 VAL HG1 H 0.8 0.02 2 983 103 104 VAL HG2 H 0.88 0.02 2 984 103 104 VAL CA C 60.12 0.4 1 985 103 104 VAL CB C 34.41 0.4 1 986 103 104 VAL CG1 C 22.07 0.4 1 987 103 104 VAL CG2 C 18.95 0.4 1 988 103 104 VAL N N 121.02 0.4 1 989 104 105 ASN H H 8.66 0.02 1 990 104 105 ASN HA H 4.71 0.02 1 991 104 105 ASN HB2 H 2.88 0.02 2 992 104 105 ASN HB3 H 2.8 0.02 2 993 104 105 ASN CA C 55.63 0.4 1 994 104 105 ASN CB C 40.29 0.4 1 995 104 105 ASN N N 116.44 0.4 1 996 105 106 ASP H H 7.54 0.02 1 997 105 106 ASP HA H 5.02 0.02 1 998 105 106 ASP HB2 H 2.64 0.02 2 999 105 106 ASP HB3 H 2.59 0.02 2 1000 105 106 ASP CA C 53.58 0.4 1 1001 105 106 ASP CB C 46.66 0.4 1 1002 105 106 ASP N N 116.24 0.4 1 1003 106 107 ILE H H 8.25 0.02 1 1004 106 107 ILE HA H 2.52 0.02 1 1005 106 107 ILE HB H 1.08 0.02 1 1006 106 107 ILE HG12 H 0.85 0.02 2 1007 106 107 ILE HG13 H 0.67 0.02 2 1008 106 107 ILE HG2 H 0.81 0.02 1 1009 106 107 ILE HD1 H 0.74 0.02 1 1010 106 107 ILE CA C 64.79 0.4 1 1011 106 107 ILE CB C 39.39 0.4 1 1012 106 107 ILE CG1 C 29.7 0.4 1 1013 106 107 ILE CG2 C 16.03 0.4 1 1014 106 107 ILE CD1 C 14.9 0.4 1 1015 106 107 ILE N N 125.9 0.4 1 1016 107 108 GLY H H 8.94 0.02 1 1017 107 108 GLY HA2 H 4.28 0.02 2 1018 107 108 GLY HA3 H 3.98 0.02 2 1019 107 108 GLY CA C 47.3 0.4 1 1020 107 108 GLY N N 111.87 0.4 1 1021 108 109 ASP H H 7.83 0.02 1 1022 108 109 ASP HA H 5 0.02 1 1023 108 109 ASP HB2 H 2.84 0.02 2 1024 108 109 ASP HB3 H 2.69 0.02 2 1025 108 109 ASP CA C 54.76 0.4 1 1026 108 109 ASP CB C 42.67 0.4 1 1027 108 109 ASP N N 118.01 0.4 1 1028 109 110 ASP H H 7.61 0.02 1 1029 109 110 ASP HA H 4.09 0.02 1 1030 109 110 ASP HB2 H 2.82 0.02 2 1031 109 110 ASP HB3 H 2.65 0.02 2 1032 109 110 ASP CA C 59.87 0.4 1 1033 109 110 ASP CB C 45.11 0.4 1 1034 109 110 ASP N N 120.56 0.4 1 1035 110 111 TRP H H 8.33 0.02 1 1036 110 111 TRP HA H 4.47 0.02 1 1037 110 111 TRP HB2 H 3.58 0.02 2 1038 110 111 TRP HB3 H 3.46 0.02 2 1039 110 111 TRP HD1 H 7.79 0.02 1 1040 110 111 TRP HE1 H 10.97 0.02 1 1041 110 111 TRP HE3 H 7.19 0.02 1 1042 110 111 TRP HZ2 H 7.01 0.02 1 1043 110 111 TRP HZ3 H 6.35 0.02 1 1044 110 111 TRP HH2 H 6.62 0.02 1 1045 110 111 TRP CA C 59.48 0.4 1 1046 110 111 TRP CB C 28.92 0.4 1 1047 110 111 TRP CD1 C 128.05 0.4 1 1048 110 111 TRP CE3 C 120.19 0.4 1 1049 110 111 TRP CZ2 C 115.1 0.4 1 1050 110 111 TRP CZ3 C 120.89 0.4 1 1051 110 111 TRP CH2 C 123.6 0.4 1 1052 110 111 TRP N N 114.92 0.4 1 1053 110 111 TRP NE1 N 131.63 0.4 1 1054 111 112 LYS H H 6.3 0.02 1 1055 111 112 LYS HA H 3.8 0.02 1 1056 111 112 LYS HB2 H 1.06 0.02 2 1057 111 112 LYS HB3 H -0.72 0.02 2 1058 111 112 LYS HG2 H 0.47 0.02 2 1059 111 112 LYS HG3 H 0.21 0.02 2 1060 111 112 LYS HD2 H 1.22 0.02 2 1061 111 112 LYS HD3 H 1.22 0.02 2 1062 111 112 LYS HE2 H 2.69 0.02 2 1063 111 112 LYS HE3 H 2.66 0.02 2 1064 111 112 LYS CA C 56.32 0.4 1 1065 111 112 LYS CB C 31.92 0.4 1 1066 111 112 LYS CG C 22.84 0.4 1 1067 111 112 LYS CD C 30.32 0.4 1 1068 111 112 LYS CE C 42.38 0.4 1 1069 111 112 LYS N N 116.92 0.4 1 1070 112 113 ALA H H 7.31 0.02 1 1071 112 113 ALA HA H 4 0.02 1 1072 112 113 ALA HB H 1.56 0.02 1 1073 112 113 ALA CA C 55.02 0.4 1 1074 112 113 ALA CB C 22.61 0.4 1 1075 112 113 ALA N N 120.41 0.4 1 1076 113 114 THR H H 9.05 0.02 1 1077 113 114 THR HA H 5.2 0.02 1 1078 113 114 THR HB H 4.03 0.02 1 1079 113 114 THR HG2 H 1.01 0.02 1 1080 113 114 THR CA C 63.75 0.4 1 1081 113 114 THR CB C 69.62 0.4 1 1082 113 114 THR CG2 C 24.5 0.4 1 1083 113 114 THR N N 116.47 0.4 1 1084 114 115 ARG H H 8.98 0.02 1 1085 114 115 ARG HA H 4.46 0.02 1 1086 114 115 ARG HB2 H 1.93 0.02 2 1087 114 115 ARG HB3 H 1.77 0.02 2 1088 114 115 ARG HG2 H 1.55 0.02 2 1089 114 115 ARG HG3 H 1.55 0.02 2 1090 114 115 ARG HD2 H 3.03 0.02 2 1091 114 115 ARG HD3 H 3.03 0.02 2 1092 114 115 ARG CA C 57.53 0.4 1 1093 114 115 ARG N N 126.85 0.4 1 1094 115 116 VAL H H 8.22 0.02 1 1095 115 116 VAL HA H 5.14 0.02 1 1096 115 116 VAL HB H 1.59 0.02 1 1097 115 116 VAL HG1 H 0.78 0.02 2 1098 115 116 VAL HG2 H 0.48 0.02 2 1099 115 116 VAL CA C 58.01 0.4 1 1100 115 116 VAL CB C 36.46 0.4 1 1101 115 116 VAL CG1 C 21.63 0.4 1 1102 115 116 VAL CG2 C 19.8 0.4 1 1103 115 116 VAL N N 118.8 0.4 1 1104 116 117 GLY H H 6.57 0.02 1 1105 116 117 GLY HA2 H 2.85 0.02 2 1106 116 117 GLY HA3 H 3.43 0.02 2 1107 116 117 GLY CA C 46.37 0.4 1 1108 116 117 GLY N N 111.86 0.4 1 1109 117 118 TYR H H 7.75 0.02 1 1110 117 118 TYR HA H 5.29 0.02 1 1111 117 118 TYR HB2 H 2.86 0.02 2 1112 117 118 TYR HB3 H 2.54 0.02 2 1113 117 118 TYR HD1 H 6.25 0.02 1 1114 117 118 TYR HD2 H 6.25 0.02 1 1115 117 118 TYR HE1 H 6.58 0.02 1 1116 117 118 TYR HE2 H 6.58 0.02 1 1117 117 118 TYR CA C 55.83 0.4 1 1118 117 118 TYR CB C 45.09 0.4 1 1119 117 118 TYR CD1 C 133.22 0.4 1 1120 117 118 TYR CE1 C 118.47 0.4 1 1121 117 118 TYR N N 115.75 0.4 1 1122 118 119 ASN H H 8.41 0.02 1 1123 118 119 ASN HA H 5.27 0.02 1 1124 118 119 ASN HB2 H 2.59 0.02 2 1125 118 119 ASN HB3 H 2.23 0.02 2 1126 118 119 ASN CA C 56.19 0.4 1 1127 118 119 ASN CB C 48.78 0.4 1 1128 118 119 ASN N N 116.44 0.4 1 1129 119 120 ILE H H 9.15 0.02 1 1130 119 120 ILE HA H 5.35 0.02 1 1131 119 120 ILE HB H 1.93 0.02 1 1132 119 120 ILE HG12 H 1.82 0.02 2 1133 119 120 ILE HG13 H 1.38 0.02 2 1134 119 120 ILE HG2 H 1.11 0.02 1 1135 119 120 ILE HD1 H 1.18 0.02 1 1136 119 120 ILE CA C 61.47 0.4 1 1137 119 120 ILE CB C 41.48 0.4 1 1138 119 120 ILE CG1 C 30.08 0.4 1 1139 119 120 ILE CG2 C 19.18 0.4 1 1140 119 120 ILE CD1 C 15.17 0.4 1 1141 119 120 ILE N N 124.18 0.4 1 1142 120 121 PHE H H 9.68 0.02 1 1143 120 121 PHE HA H 5.98 0.02 1 1144 120 121 PHE HB2 H 3.08 0.02 2 1145 120 121 PHE HB3 H 2.89 0.02 2 1146 120 121 PHE HD1 H 7.11 0.02 1 1147 120 121 PHE HD2 H 7.11 0.02 1 1148 120 121 PHE HE1 H 7.44 0.02 1 1149 120 121 PHE HE2 H 7.44 0.02 1 1150 120 121 PHE CA C 56.48 0.4 1 1151 120 121 PHE CB C 42.23 0.4 1 1152 120 121 PHE CD1 C 133.08 0.4 1 1153 120 121 PHE CD2 C 133.08 0.4 1 1154 120 121 PHE CE1 C 130.04 0.4 1 1155 120 121 PHE CE2 C 130.04 0.4 1 1156 120 121 PHE N N 124.89 0.4 1 1157 121 122 THR H H 9.23 0.02 1 1158 121 122 THR HA H 5.22 0.02 1 1159 121 122 THR HB H 4.57 0.02 1 1160 121 122 THR HG2 H 1.43 0.02 1 1161 121 122 THR CA C 60.85 0.4 1 1162 121 122 THR CB C 72.68 0.4 1 1163 121 122 THR CG2 C 22.8 0.4 1 1164 121 122 THR N N 111.08 0.4 1 1165 122 123 ARG H H 8.99 0.02 1 1166 122 123 ARG HA H 3.88 0.02 1 1167 122 123 ARG HB2 H 1.52 0.02 2 1168 122 123 ARG HB3 H 1.43 0.02 2 1169 122 123 ARG HG2 H 1.13 0.02 2 1170 122 123 ARG HG3 H 0.68 0.02 2 1171 122 123 ARG HD2 H 2.63 0.02 2 1172 122 123 ARG HD3 H 2.35 0.02 2 1173 122 123 ARG CA C 57.55 0.4 1 1174 122 123 ARG CB C 31.13 0.4 1 1175 122 123 ARG CG C 27.84 0.4 1 1176 122 123 ARG CD C 43.07 0.4 1 1177 122 123 ARG N N 121.91 0.4 1 1178 123 124 LEU H H 7.9 0.02 1 1179 123 124 LEU HA H 4.27 0.02 1 1180 123 124 LEU HB2 H 1.46 0.02 2 1181 123 124 LEU HB3 H 1.22 0.02 2 1182 123 124 LEU HG H 1.45 0.02 1 1183 123 124 LEU HD1 H 0.79 0.02 2 1184 123 124 LEU HD2 H 0.83 0.02 2 1185 123 124 LEU CA C 55.48 0.4 1 1186 123 124 LEU CB C 43.7 0.4 1 1187 123 124 LEU CG C 27.93 0.4 1 1188 123 124 LEU CD1 C 25.36 0.4 1 1189 123 124 LEU CD2 C 25.13 0.4 1 1190 123 124 LEU N N 124.24 0.4 1 1191 124 125 ARG H H 8.28 0.02 1 1192 124 125 ARG HA H 4.39 0.02 1 1193 124 125 ARG HB2 H 1.84 0.02 2 1194 124 125 ARG HB3 H 1.75 0.02 2 1195 124 125 ARG HG2 H 1.6 0.02 2 1196 124 125 ARG HG3 H 1.6 0.02 2 1197 124 125 ARG HD2 H 3.22 0.02 2 1198 124 125 ARG HD3 H 3.22 0.02 2 1199 124 125 ARG CA C 57 0.4 1 1200 124 125 ARG CB C 31.85 0.4 1 1201 124 125 ARG CG C 27.85 0.4 1 1202 124 125 ARG CD C 44.15 0.4 1 1203 124 125 ARG N N 123.91 0.4 1 1204 125 126 THR HA H 4.33 0.02 1 1205 125 126 THR HB H 4.23 0.02 1 1206 125 126 THR HG2 H 1.16 0.02 1 1207 125 126 THR CA C 62.17 0.4 1 1208 125 126 THR CB C 70.37 0.4 1 1209 125 126 THR CG2 C 22.32 0.4 1 1210 126 127 GLN HA H 4.37 0.02 1 1211 126 127 GLN HB2 H 2.12 0.02 2 1212 126 127 GLN HB3 H 1.99 0.02 2 1213 126 127 GLN HG2 H 2.34 0.02 2 1214 126 127 GLN HG3 H 2.34 0.02 2 1215 126 127 GLN CA C 56.65 0.4 1 1216 126 127 GLN CB C 30.5 0.4 1 1217 126 127 GLN CG C 34.43 0.4 1 1218 127 128 LYS H H 8.09 0.02 1 1219 127 128 LYS HA H 4.3 0.02 1 1220 127 128 LYS HB2 H 1.84 0.02 2 1221 127 128 LYS HB3 H 1.74 0.02 2 1222 127 128 LYS HG2 H 1.42 0.02 2 1223 127 128 LYS HG3 H 1.42 0.02 2 1224 127 128 LYS HD2 H 1.68 0.02 2 1225 127 128 LYS HD3 H 1.68 0.02 2 1226 127 128 LYS HE2 H 3 0.02 2 1227 127 128 LYS HE3 H 3 0.02 2 1228 127 128 LYS CA C 57.16 0.4 1 1229 127 128 LYS CB C 33.78 0.4 1 1230 127 128 LYS CG C 25.25 0.4 1 1231 127 128 LYS CD C 29.58 0.4 1 1232 127 128 LYS CE C 42.72 0.4 1 1233 127 128 LYS N N 121.88 0.4 1 1234 128 129 GLU H H 7.81 0.02 1 1235 128 129 GLU HA H 4.12 0.02 1 1236 128 129 GLU HB2 H 2.03 0.02 2 1237 128 129 GLU HB3 H 1.89 0.02 2 1238 128 129 GLU HG2 H 2.17 0.02 2 1239 128 129 GLU HG3 H 2.17 0.02 2 1240 128 129 GLU CA C 58.75 0.4 1 1241 128 129 GLU CB C 31.94 0.4 1 1242 128 129 GLU CG C 37.32 0.4 1 1243 128 129 GLU N N 127.08 0.4 1 stop_ save_