data_25250 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Ovis Aries PrP with mutation delta190-197 ; _BMRB_accession_number 25250 _BMRB_flat_file_name bmr25250.str _Entry_type original _Submission_date 2014-09-25 _Accession_date 2014-09-25 _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 Munoz Carola . . 2 Egalon Angelique . . 3 Beringue Vincent . . 4 Rezaei Human . . 5 Dron Michel . . 6 Sizun Christina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 778 "13C chemical shifts" 569 "15N chemical shifts" 141 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-10-05 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25251 PrPdelta193-196 stop_ _Original_release_date 2015-10-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conversion ability of PrP helix 2 deletion mutants ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Munoz Carola . . 2 Sizun Christina . . 3 Egalon Angelique . . 4 Beringue Vincent . . 5 Rezaei Human . . 6 Dron Michel . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PrPdelta190-197 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight 16655.6213 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PrPdelta190-197 _Molecular_mass 16655.6213 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 146 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MSNKPSKPKTNMKHVAGAAA AGAVVGGLGGYMLGSVMSRP LIHFGNDYEDRYYRENMYRY PNQVYYRPVDQYSNQNNFVH DCVNITVKQGENFTETDIKI MERVVEQMCITQYQRESQAY YQRGAS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 SER 12 SER 13 GLY 14 LEU 15 VAL 16 PRO 17 ARG 18 GLY 19 SER 20 HIS 21 MET 22 SER 23 ASN 24 LYS 25 PRO 26 SER 27 LYS 28 PRO 29 LYS 30 THR 31 ASN 32 MET 33 LYS 34 HIS 35 VAL 36 ALA 37 GLY 38 ALA 39 ALA 40 ALA 41 ALA 42 GLY 43 ALA 44 VAL 45 VAL 46 GLY 47 GLY 48 LEU 49 GLY 50 GLY 51 TYR 52 MET 53 LEU 54 GLY 55 SER 56 VAL 57 MET 58 SER 59 ARG 60 PRO 61 LEU 62 ILE 63 HIS 64 PHE 65 GLY 66 ASN 67 ASP 68 TYR 69 GLU 70 ASP 71 ARG 72 TYR 73 TYR 74 ARG 75 GLU 76 ASN 77 MET 78 TYR 79 ARG 80 TYR 81 PRO 82 ASN 83 GLN 84 VAL 85 TYR 86 TYR 87 ARG 88 PRO 89 VAL 90 ASP 91 GLN 92 TYR 93 SER 94 ASN 95 GLN 96 ASN 97 ASN 98 PHE 99 VAL 100 HIS 101 ASP 102 CYS 103 VAL 104 ASN 105 ILE 106 THR 107 VAL 108 LYS 109 GLN 110 GLY 111 GLU 112 ASN 113 PHE 114 THR 115 GLU 116 THR 117 ASP 118 ILE 119 LYS 120 ILE 121 MET 122 GLU 123 ARG 124 VAL 125 VAL 126 GLU 127 GLN 128 MET 129 CYS 130 ILE 131 THR 132 GLN 133 TYR 134 GLN 135 ARG 136 GLU 137 SER 138 GLN 139 ALA 140 TYR 141 TYR 142 GLN 143 ARG 144 GLY 145 ALA 146 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 GenBank CAA04276 PrP . . . . . GB AJ000738.1 PrP . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Variant _Gene_mnemonic $entity Sheep 9940 Eukaryota Metazoa Ovis aries VRQ 'PRNP prion protein' 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 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3) pET22b 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 _Isotopic_labeling $entity 0.35 mM '[U-99% 13C; U-99% 15N]' 'Sodium acetate' 10.00 mM 'natural abundance' H2O 90 mM 'natural abundance' D2O 10 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.45 mM '[U-99% 15N]' 'Sodium acetate' 10.00 mM 'natural abundance' H2O 90 mM 'natural abundance' D2O 10 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.35 mM '[U-99% 13C; U-99% 15N]' 'Sodium acetate' 10.00 mM 'natural abundance' D2O 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Peter Guntert' 'University of Frankfurt, DE' http://www.cyana.org stop_ loop_ _Task 'Structure calculation' stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.2 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task Assignment stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_Talos+ _Saveframe_category software _Name Talos+ _Version 1.0 loop_ _Vendor _Address _Electronic_address 'Yang Shen' 'NIDDK, Bethesda, Bethesda, MD 20892-2560, USA' http://spin.niddk.nih.gov/TALOS stop_ loop_ _Task 'Dihedral angles' stop_ _Details . save_ save_Topspin _Saveframe_category software _Name Topspin _Version 3.1 loop_ _Vendor _Address _Electronic_address Bruker 'Bruker France, 67160 Wissembourg, FR' http://www.bruker.com/products/mr/nmr.html stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_hCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D hCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_hCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D hCCH-TOCSY' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_aromatic_HCCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D aromatic HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_Condition1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 5.300 . pH pressure 1.000 . atm temperature 298.000 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis $Topspin stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D hCCH-TOCSY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 $sample_3 stop_ _Sample_conditions_label $Condition1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 83 3 SER C C 174.52 0.25 1 2 83 3 SER CA C 58.05 0.25 1 3 83 3 SER CB C 63.95 0.25 1 4 84 4 SER H H 8.48 0.02 1 5 84 4 SER HA H 4.41 0.02 1 6 84 4 SER HB2 H 3.79 0.02 2 7 84 4 SER HB3 H 3.80 0.02 2 8 84 4 SER CA C 58.19 0.25 1 9 84 4 SER N N 117.83 0.15 1 10 90 10 HIS CA C 55.62 0.25 1 11 90 10 HIS CB C 29.99 0.25 1 12 91 11 SER H H 8.47 0.02 1 13 91 11 SER HA H 4.46 0.02 1 14 91 11 SER HB2 H 3.83 0.02 2 15 91 11 SER HB3 H 3.83 0.02 2 16 91 11 SER C C 174.41 0.25 1 17 91 11 SER CA C 58.10 0.25 1 18 91 11 SER CB C 63.80 0.25 1 19 91 11 SER N N 118.19 0.15 1 20 92 12 SER H H 8.53 0.02 1 21 92 12 SER HA H 4.48 0.02 1 22 92 12 SER HB2 H 3.88 0.02 1 23 92 12 SER HB3 H 3.88 0.02 1 24 92 12 SER C C 174.81 0.25 1 25 92 12 SER CA C 58.52 0.25 1 26 92 12 SER CB C 63.82 0.25 1 27 92 12 SER N N 118.29 0.15 1 28 93 13 GLY H H 8.41 0.02 1 29 93 13 GLY HA2 H 3.95 0.02 2 30 93 13 GLY HA3 H 3.95 0.02 2 31 93 13 GLY C C 173.68 0.25 1 32 93 13 GLY CA C 45.15 0.25 1 33 93 13 GLY N N 110.51 0.15 1 34 94 14 LEU H H 8.10 0.02 1 35 94 14 LEU HA H 4.36 0.02 1 36 94 14 LEU HB2 H 1.52 0.02 2 37 94 14 LEU HB3 H 1.56 0.02 2 38 94 14 LEU HG H 1.54 0.02 1 39 94 14 LEU HD1 H 0.88 0.02 2 40 94 14 LEU HD2 H 0.83 0.02 2 41 94 14 LEU C C 177.12 0.25 1 42 94 14 LEU CA C 54.97 0.25 1 43 94 14 LEU CB C 42.38 0.25 1 44 94 14 LEU CG C 26.85 0.25 1 45 94 14 LEU CD1 C 24.75 0.25 2 46 94 14 LEU CD2 C 23.50 0.25 2 47 94 14 LEU N N 121.79 0.15 1 48 95 15 VAL H H 8.20 0.02 1 49 95 15 VAL HA H 4.38 0.02 1 50 95 15 VAL HB H 2.04 0.02 1 51 95 15 VAL HG1 H 0.92 0.02 2 52 95 15 VAL HG2 H 0.94 0.02 2 53 95 15 VAL CA C 59.80 0.25 1 54 95 15 VAL CB C 32.55 0.25 1 55 95 15 VAL CG1 C 20.38 0.25 2 56 95 15 VAL CG2 C 20.93 0.25 2 57 95 15 VAL N N 123.55 0.15 1 58 96 16 PRO HA H 4.39 0.02 1 59 96 16 PRO HB2 H 2.28 0.02 2 60 96 16 PRO HB3 H 1.87 0.02 2 61 96 16 PRO HG2 H 1.95 0.02 2 62 96 16 PRO HG3 H 2.02 0.02 2 63 96 16 PRO HD2 H 3.65 0.02 2 64 96 16 PRO HD3 H 3.86 0.02 2 65 96 16 PRO C C 176.84 0.25 1 66 96 16 PRO CA C 63.04 0.25 1 67 96 16 PRO CB C 32.08 0.25 1 68 96 16 PRO CG C 27.37 0.25 1 69 96 16 PRO CD C 51.03 0.25 1 70 97 17 ARG H H 8.49 0.02 1 71 97 17 ARG HA H 4.30 0.02 1 72 97 17 ARG HB2 H 1.78 0.02 2 73 97 17 ARG HB3 H 1.84 0.02 2 74 97 17 ARG HG2 H 1.66 0.02 2 75 97 17 ARG HG3 H 1.70 0.02 2 76 97 17 ARG HD2 H 3.19 0.02 2 77 97 17 ARG HD3 H 3.20 0.02 2 78 97 17 ARG C C 176.97 0.25 1 79 97 17 ARG CA C 56.30 0.25 1 80 97 17 ARG CB C 30.81 0.25 1 81 97 17 ARG CG C 27.04 0.25 1 82 97 17 ARG CD C 43.37 0.25 1 83 97 17 ARG N N 122.00 0.15 1 84 98 18 GLY H H 8.46 0.02 1 85 98 18 GLY HA2 H 3.97 0.02 1 86 98 18 GLY HA3 H 3.97 0.02 1 87 98 18 GLY C C 173.99 0.25 1 88 98 18 GLY CA C 45.14 0.25 1 89 98 18 GLY N N 110.16 0.15 1 90 99 19 SER H H 8.22 0.02 1 91 99 19 SER HA H 4.42 0.02 1 92 99 19 SER HB2 H 3.81 0.02 1 93 99 19 SER HB3 H 3.81 0.02 1 94 99 19 SER C C 174.38 0.25 1 95 99 19 SER CA C 58.24 0.25 1 96 99 19 SER CB C 63.84 0.25 1 97 99 19 SER N N 115.36 0.15 1 98 100 20 HIS H H 8.58 0.02 1 99 100 20 HIS HA H 4.70 0.02 1 100 100 20 HIS C C 174.54 0.25 1 101 100 20 HIS CA C 55.59 0.25 1 102 100 20 HIS CB C 29.37 0.25 1 103 100 20 HIS N N 120.67 0.15 1 104 101 21 MET H H 8.36 0.02 1 105 101 21 MET HA H 4.48 0.02 1 106 101 21 MET HB2 H 2.05 0.02 2 107 101 21 MET HB3 H 1.95 0.02 2 108 101 21 MET HG2 H 2.54 0.02 2 109 101 21 MET HG3 H 2.47 0.02 2 110 101 21 MET C C 175.99 0.25 1 111 101 21 MET CA C 55.43 0.25 1 112 101 21 MET CB C 32.88 0.25 1 113 101 21 MET CG C 31.89 0.25 1 114 101 21 MET N N 121.76 0.15 1 115 102 22 SER H H 8.40 0.02 1 116 102 22 SER HA H 4.47 0.02 1 117 102 22 SER HB2 H 3.85 0.02 2 118 102 22 SER HB3 H 3.85 0.02 2 119 102 22 SER C C 174.07 0.25 1 120 102 22 SER CA C 58.14 0.25 1 121 102 22 SER CB C 63.79 0.25 1 122 102 22 SER N N 117.19 0.15 1 123 103 23 ASN H H 8.46 0.02 1 124 103 23 ASN HA H 4.71 0.02 1 125 103 23 ASN HB2 H 2.75 0.02 2 126 103 23 ASN HB3 H 2.75 0.02 2 127 103 23 ASN C C 174.72 0.25 1 128 103 23 ASN CA C 53.02 0.25 1 129 103 23 ASN CB C 38.90 0.25 1 130 103 23 ASN N N 121.10 0.15 1 131 104 24 LYS H H 8.27 0.02 1 132 104 24 LYS HA H 4.59 0.02 1 133 104 24 LYS HB2 H 1.80 0.02 2 134 104 24 LYS HB3 H 1.69 0.02 2 135 104 24 LYS HG2 H 1.42 0.02 2 136 104 24 LYS HG3 H 1.46 0.02 2 137 104 24 LYS HD2 H 1.68 0.02 2 138 104 24 LYS HD3 H 1.68 0.02 2 139 104 24 LYS HE2 H 2.99 0.02 2 140 104 24 LYS HE3 H 2.99 0.02 2 141 104 24 LYS CA C 54.19 0.25 1 142 104 24 LYS CB C 32.54 0.25 1 143 104 24 LYS CG C 24.50 0.25 1 144 104 24 LYS CD C 29.12 0.25 1 145 104 24 LYS CE C 42.13 0.25 1 146 104 24 LYS N N 122.74 0.15 1 147 105 25 PRO HA H 4.45 0.02 1 148 105 25 PRO HB2 H 1.90 0.02 2 149 105 25 PRO HB3 H 2.29 0.02 2 150 105 25 PRO HG2 H 2.01 0.02 1 151 105 25 PRO HG3 H 2.01 0.02 1 152 105 25 PRO HD2 H 3.81 0.02 2 153 105 25 PRO HD3 H 3.62 0.02 2 154 105 25 PRO C C 176.86 0.25 1 155 105 25 PRO CA C 63.01 0.25 1 156 105 25 PRO CB C 32.13 0.25 1 157 105 25 PRO CG C 27.30 0.25 1 158 105 25 PRO CD C 50.64 0.25 1 159 106 26 SER H H 8.46 0.02 1 160 106 26 SER HA H 4.44 0.02 1 161 106 26 SER HB2 H 3.83 0.02 2 162 106 26 SER HB3 H 3.83 0.02 2 163 106 26 SER C C 174.08 0.25 1 164 106 26 SER CA C 58.06 0.25 1 165 106 26 SER CB C 63.99 0.25 1 166 106 26 SER N N 116.95 0.15 1 167 107 27 LYS H H 8.35 0.02 1 168 107 27 LYS HA H 4.61 0.02 1 169 107 27 LYS HB2 H 1.80 0.02 2 170 107 27 LYS HB3 H 1.70 0.02 2 171 107 27 LYS HG2 H 1.42 0.02 2 172 107 27 LYS HG3 H 1.47 0.02 2 173 107 27 LYS HD2 H 1.69 0.02 2 174 107 27 LYS HD3 H 1.68 0.02 2 175 107 27 LYS HE2 H 2.99 0.02 2 176 107 27 LYS HE3 H 2.99 0.02 2 177 107 27 LYS CA C 54.19 0.25 1 178 107 27 LYS CB C 32.59 0.25 1 179 107 27 LYS CG C 24.52 0.25 1 180 107 27 LYS CD C 29.12 0.25 1 181 107 27 LYS CE C 42.13 0.25 1 182 107 27 LYS N N 124.14 0.15 1 183 108 28 PRO HA H 4.41 0.02 1 184 108 28 PRO HB2 H 2.29 0.02 2 185 108 28 PRO HB3 H 1.90 0.02 2 186 108 28 PRO HG2 H 2.01 0.02 1 187 108 28 PRO HG3 H 2.01 0.02 1 188 108 28 PRO HD2 H 3.81 0.02 2 189 108 28 PRO HD3 H 3.63 0.02 2 190 108 28 PRO C C 176.77 0.25 1 191 108 28 PRO CA C 62.96 0.25 1 192 108 28 PRO CB C 32.18 0.25 1 193 108 28 PRO CG C 27.33 0.25 1 194 108 28 PRO CD C 50.66 0.25 1 195 109 29 LYS H H 8.52 0.02 1 196 109 29 LYS HA H 4.33 0.02 1 197 109 29 LYS HB2 H 1.86 0.02 2 198 109 29 LYS HB3 H 1.76 0.02 2 199 109 29 LYS HG2 H 1.49 0.02 2 200 109 29 LYS HG3 H 1.44 0.02 2 201 109 29 LYS HD2 H 1.64 0.02 2 202 109 29 LYS HD3 H 1.64 0.02 2 203 109 29 LYS HE2 H 3.00 0.02 1 204 109 29 LYS HE3 H 3.00 0.02 1 205 109 29 LYS C C 176.78 0.25 1 206 109 29 LYS CA C 56.35 0.25 1 207 109 29 LYS CB C 32.94 0.25 1 208 109 29 LYS CG C 24.80 0.25 1 209 109 29 LYS CD C 29.11 0.25 1 210 109 29 LYS CE C 42.15 0.25 1 211 109 29 LYS N N 121.98 0.15 1 212 110 30 THR H H 8.14 0.02 1 213 110 30 THR HA H 4.33 0.02 1 214 110 30 THR HB H 4.17 0.02 1 215 110 30 THR HG2 H 1.17 0.02 1 216 110 30 THR C C 173.91 0.25 1 217 110 30 THR CA C 61.62 0.25 1 218 110 30 THR CB C 69.94 0.25 1 219 110 30 THR CG2 C 21.48 0.25 1 220 110 30 THR N N 115.20 0.15 1 221 111 31 ASN H H 8.55 0.02 1 222 111 31 ASN HA H 4.71 0.02 1 223 111 31 ASN HB2 H 2.76 0.02 2 224 111 31 ASN HB3 H 2.82 0.02 2 225 111 31 ASN C C 174.99 0.25 1 226 111 31 ASN CA C 53.05 0.25 1 227 111 31 ASN CB C 38.68 0.25 1 228 111 31 ASN N N 121.26 0.15 1 229 112 32 MET H H 8.34 0.02 1 230 112 32 MET HA H 4.43 0.02 1 231 112 32 MET HB2 H 2.05 0.02 2 232 112 32 MET HB3 H 1.95 0.02 2 233 112 32 MET HG2 H 2.47 0.02 2 234 112 32 MET HG3 H 2.54 0.02 2 235 112 32 MET C C 175.96 0.25 1 236 112 32 MET CA C 55.43 0.25 1 237 112 32 MET CB C 32.81 0.25 1 238 112 32 MET CG C 31.93 0.25 1 239 112 32 MET N N 121.22 0.15 1 240 113 33 LYS H H 8.31 0.02 1 241 113 33 LYS HA H 4.24 0.02 1 242 113 33 LYS HB2 H 1.74 0.02 2 243 113 33 LYS HB3 H 1.71 0.02 2 244 113 33 LYS HG2 H 1.33 0.02 2 245 113 33 LYS HG3 H 1.40 0.02 2 246 113 33 LYS HD2 H 1.69 0.02 2 247 113 33 LYS HD3 H 1.69 0.02 2 248 113 33 LYS HE2 H 2.96 0.02 1 249 113 33 LYS HE3 H 2.96 0.02 1 250 113 33 LYS C C 176.12 0.25 1 251 113 33 LYS CA C 56.35 0.25 1 252 113 33 LYS CB C 33.02 0.25 1 253 113 33 LYS CG C 24.75 0.25 1 254 113 33 LYS CD C 29.02 0.25 1 255 113 33 LYS CE C 42.06 0.25 1 256 113 33 LYS N N 122.30 0.15 1 257 114 34 HIS H H 8.50 0.02 1 258 114 34 HIS HA H 4.68 0.02 1 259 114 34 HIS HB2 H 3.17 0.02 2 260 114 34 HIS HB3 H 3.12 0.02 2 261 114 34 HIS C C 174.32 0.25 1 262 114 34 HIS CA C 55.40 0.25 1 263 114 34 HIS CB C 29.42 0.25 1 264 114 34 HIS N N 120.48 0.15 1 265 115 35 VAL H H 8.16 0.02 1 266 115 35 VAL HA H 4.09 0.02 1 267 115 35 VAL HB H 2.01 0.02 1 268 115 35 VAL HG1 H 0.88 0.02 2 269 115 35 VAL HG2 H 0.89 0.02 2 270 115 35 VAL C C 175.46 0.25 1 271 115 35 VAL CA C 61.98 0.25 1 272 115 35 VAL CB C 32.86 0.25 1 273 115 35 VAL CG1 C 20.38 0.25 2 274 115 35 VAL CG2 C 20.93 0.25 2 275 115 35 VAL N N 122.56 0.15 1 276 116 36 ALA H H 8.46 0.02 1 277 116 36 ALA HA H 4.29 0.02 1 278 116 36 ALA HB H 1.38 0.02 1 279 116 36 ALA C C 178.01 0.25 1 280 116 36 ALA CA C 52.59 0.25 1 281 116 36 ALA CB C 19.22 0.25 1 282 116 36 ALA N N 128.13 0.15 1 283 117 37 GLY H H 8.38 0.02 1 284 117 37 GLY HA2 H 3.93 0.02 2 285 117 37 GLY HA3 H 3.94 0.02 2 286 117 37 GLY C C 173.85 0.25 1 287 117 37 GLY CA C 45.12 0.25 1 288 117 37 GLY N N 108.64 0.15 1 289 118 38 ALA H H 8.14 0.02 1 290 118 38 ALA HA H 4.28 0.02 1 291 118 38 ALA HB H 1.36 0.02 1 292 118 38 ALA C C 177.62 0.25 1 293 118 38 ALA CA C 52.46 0.25 1 294 118 38 ALA CB C 19.28 0.25 1 295 118 38 ALA N N 123.75 0.15 1 296 119 39 ALA H H 8.29 0.02 1 297 119 39 ALA HA H 4.28 0.02 1 298 119 39 ALA HB H 1.36 0.02 1 299 119 39 ALA C C 177.55 0.25 1 300 119 39 ALA CA C 52.43 0.25 1 301 119 39 ALA CB C 19.05 0.25 1 302 119 39 ALA N N 123.16 0.15 1 303 120 40 ALA H H 8.19 0.02 1 304 120 40 ALA HA H 4.27 0.02 1 305 120 40 ALA HB H 1.35 0.02 1 306 120 40 ALA C C 177.49 0.25 1 307 120 40 ALA CA C 52.34 0.25 1 308 120 40 ALA CB C 19.14 0.25 1 309 120 40 ALA N N 123.19 0.15 1 310 121 41 ALA H H 8.22 0.02 1 311 121 41 ALA HA H 4.27 0.02 1 312 121 41 ALA HB H 1.37 0.02 1 313 121 41 ALA C C 178.17 0.25 1 314 121 41 ALA CA C 52.63 0.25 1 315 121 41 ALA CB C 19.05 0.25 1 316 121 41 ALA N N 123.14 0.15 1 317 122 42 GLY H H 8.29 0.02 1 318 122 42 GLY HA2 H 3.93 0.02 2 319 122 42 GLY HA3 H 3.93 0.02 2 320 122 42 GLY C C 173.66 0.25 1 321 122 42 GLY CA C 45.13 0.25 1 322 122 42 GLY N N 107.87 0.15 1 323 123 43 ALA H H 8.05 0.02 1 324 123 43 ALA HA H 4.34 0.02 1 325 123 43 ALA HB H 1.34 0.02 1 326 123 43 ALA C C 177.53 0.25 1 327 123 43 ALA CA C 52.30 0.25 1 328 123 43 ALA CB C 19.44 0.25 1 329 123 43 ALA N N 123.44 0.15 1 330 124 44 VAL H H 8.12 0.02 1 331 124 44 VAL HA H 4.11 0.02 1 332 124 44 VAL HB H 2.01 0.02 1 333 124 44 VAL HG1 H 0.89 0.02 2 334 124 44 VAL HG2 H 0.88 0.02 2 335 124 44 VAL C C 176.31 0.25 1 336 124 44 VAL CA C 62.18 0.25 1 337 124 44 VAL CB C 32.74 0.25 1 338 124 44 VAL CG1 C 21.27 0.25 2 339 124 44 VAL CG2 C 20.45 0.25 2 340 124 44 VAL N N 119.58 0.15 1 341 125 45 VAL H H 8.26 0.02 1 342 125 45 VAL HA H 4.09 0.02 1 343 125 45 VAL HB H 2.00 0.02 1 344 125 45 VAL HG1 H 0.89 0.02 2 345 125 45 VAL HG2 H 0.84 0.02 2 346 125 45 VAL C C 176.62 0.25 1 347 125 45 VAL CA C 62.41 0.25 1 348 125 45 VAL CB C 32.65 0.25 1 349 125 45 VAL CG1 C 20.41 0.25 2 350 125 45 VAL CG2 C 21.17 0.25 2 351 125 45 VAL N N 124.55 0.15 1 352 126 46 GLY H H 8.55 0.02 1 353 126 46 GLY HA2 H 3.90 0.02 2 354 126 46 GLY HA3 H 3.95 0.02 2 355 126 46 GLY C C 174.62 0.25 1 356 126 46 GLY CA C 45.26 0.25 1 357 126 46 GLY N N 113.04 0.15 1 358 127 47 GLY H H 8.24 0.02 1 359 127 47 GLY HA2 H 3.94 0.02 2 360 127 47 GLY HA3 H 3.94 0.02 2 361 127 47 GLY C C 174.31 0.25 1 362 127 47 GLY CA C 45.29 0.25 1 363 127 47 GLY N N 108.32 0.15 1 364 128 48 LEU H H 8.22 0.02 1 365 128 48 LEU HA H 4.33 0.02 1 366 128 48 LEU HB2 H 1.52 0.02 2 367 128 48 LEU HB3 H 1.57 0.02 2 368 128 48 LEU HG H 1.49 0.02 1 369 128 48 LEU HD1 H 0.58 0.02 2 370 128 48 LEU HD2 H 0.70 0.02 2 371 128 48 LEU C C 177.96 0.25 1 372 128 48 LEU CA C 55.00 0.25 1 373 128 48 LEU CB C 42.37 0.25 1 374 128 48 LEU CG C 26.83 0.25 1 375 128 48 LEU CD1 C 23.29 0.25 2 376 128 48 LEU CD2 C 24.73 0.25 2 377 128 48 LEU N N 121.60 0.15 1 378 129 49 GLY H H 8.49 0.02 1 379 129 49 GLY HA2 H 3.92 0.02 2 380 129 49 GLY HA3 H 3.86 0.02 2 381 129 49 GLY C C 174.68 0.25 1 382 129 49 GLY CA C 46.07 0.25 1 383 129 49 GLY N N 109.57 0.15 1 384 130 50 GLY H H 8.31 0.02 1 385 130 50 GLY HA2 H 3.87 0.02 2 386 130 50 GLY HA3 H 3.77 0.02 2 387 130 50 GLY C C 173.79 0.25 1 388 130 50 GLY CA C 45.09 0.25 1 389 130 50 GLY N N 108.93 0.15 1 390 131 51 TYR H H 7.77 0.02 1 391 131 51 TYR HA H 4.46 0.02 1 392 131 51 TYR HB2 H 2.86 0.02 2 393 131 51 TYR HB3 H 2.82 0.02 2 394 131 51 TYR HD1 H 6.80 0.02 3 395 131 51 TYR HD2 H 6.80 0.02 3 396 131 51 TYR HE1 H 6.61 0.02 3 397 131 51 TYR HE2 H 6.61 0.02 3 398 131 51 TYR C C 175.50 0.25 1 399 131 51 TYR CA C 57.99 0.25 1 400 131 51 TYR CB C 39.98 0.25 1 401 131 51 TYR CD1 C 133.00 0.25 3 402 131 51 TYR CD2 C 133.00 0.25 3 403 131 51 TYR CE1 C 118.16 0.25 3 404 131 51 TYR CE2 C 118.16 0.25 3 405 131 51 TYR N N 117.69 0.15 1 406 132 52 MET H H 9.06 0.02 1 407 132 52 MET HA H 4.52 0.02 1 408 132 52 MET HB2 H 0.95 0.02 2 409 132 52 MET HB3 H 1.59 0.02 2 410 132 52 MET HG2 H 2.21 0.02 2 411 132 52 MET HG3 H 2.21 0.02 2 412 132 52 MET HE H 1.98 0.02 1 413 132 52 MET C C 172.91 0.25 1 414 132 52 MET CA C 53.73 0.25 1 415 132 52 MET CB C 34.59 0.25 1 416 132 52 MET CG C 31.88 0.25 1 417 132 52 MET CE C 17.07 0.25 1 418 132 52 MET N N 120.92 0.15 1 419 133 53 LEU H H 8.07 0.02 1 420 133 53 LEU HA H 4.49 0.02 1 421 133 53 LEU HB2 H 1.61 0.02 2 422 133 53 LEU HB3 H 0.99 0.02 2 423 133 53 LEU HG H 1.39 0.02 1 424 133 53 LEU HD1 H -0.04 0.02 2 425 133 53 LEU HD2 H 0.59 0.02 2 426 133 53 LEU C C 178.22 0.25 1 427 133 53 LEU CA C 53.37 0.25 1 428 133 53 LEU CB C 43.57 0.25 1 429 133 53 LEU CG C 25.73 0.25 1 430 133 53 LEU CD1 C 21.55 0.25 2 431 133 53 LEU CD2 C 25.78 0.25 2 432 133 53 LEU N N 121.23 0.15 1 433 134 54 GLY H H 9.33 0.02 1 434 134 54 GLY HA2 H 4.44 0.02 2 435 134 54 GLY HA3 H 4.07 0.02 2 436 134 54 GLY C C 172.56 0.25 1 437 134 54 GLY CA C 44.97 0.25 1 438 134 54 GLY N N 114.74 0.15 1 439 135 55 SER H H 8.32 0.02 1 440 135 55 SER HA H 4.47 0.02 1 441 135 55 SER HB2 H 3.92 0.02 2 442 135 55 SER HB3 H 3.99 0.02 2 443 135 55 SER C C 175.42 0.25 1 444 135 55 SER CA C 58.41 0.25 1 445 135 55 SER CB C 63.99 0.25 1 446 135 55 SER N N 112.91 0.15 1 447 136 56 VAL H H 8.49 0.02 1 448 136 56 VAL HA H 4.06 0.02 1 449 136 56 VAL HB H 1.91 0.02 1 450 136 56 VAL HG1 H 0.87 0.02 2 451 136 56 VAL HG2 H 0.93 0.02 2 452 136 56 VAL C C 175.95 0.25 1 453 136 56 VAL CA C 63.90 0.25 1 454 136 56 VAL CB C 32.16 0.25 1 455 136 56 VAL CG1 C 21.40 0.25 2 456 136 56 VAL CG2 C 21.32 0.25 2 457 136 56 VAL N N 121.94 0.15 1 458 137 57 MET H H 8.84 0.02 1 459 137 57 MET HA H 4.80 0.02 1 460 137 57 MET HB2 H 2.03 0.02 2 461 137 57 MET HB3 H 2.01 0.02 2 462 137 57 MET HG2 H 2.43 0.02 2 463 137 57 MET HG3 H 2.40 0.02 2 464 137 57 MET HE H 2.07 0.02 1 465 137 57 MET C C 175.29 0.25 1 466 137 57 MET CA C 53.64 0.25 1 467 137 57 MET CB C 36.99 0.25 1 468 137 57 MET CG C 30.54 0.25 1 469 137 57 MET CE C 16.88 0.25 1 470 137 57 MET N N 125.49 0.15 1 471 138 58 SER H H 8.41 0.02 1 472 138 58 SER HA H 4.33 0.02 1 473 138 58 SER HB2 H 3.73 0.02 2 474 138 58 SER HB3 H 3.84 0.02 2 475 138 58 SER C C 174.34 0.25 1 476 138 58 SER CA C 58.70 0.25 1 477 138 58 SER CB C 63.09 0.25 1 478 138 58 SER N N 116.14 0.15 1 479 139 59 ARG H H 8.63 0.02 1 480 139 59 ARG HA H 4.42 0.02 1 481 139 59 ARG HB2 H 1.69 0.02 1 482 139 59 ARG HB3 H 1.69 0.02 1 483 139 59 ARG HG2 H 1.84 0.02 2 484 139 59 ARG HG3 H 1.86 0.02 2 485 139 59 ARG HD2 H 3.24 0.02 2 486 139 59 ARG HD3 H 3.07 0.02 2 487 139 59 ARG CA C 54.95 0.25 1 488 139 59 ARG CG C 28.80 0.25 1 489 139 59 ARG CD C 43.77 0.25 1 490 139 59 ARG N N 125.96 0.15 1 491 140 60 PRO HA H 4.37 0.02 1 492 140 60 PRO HB2 H 2.23 0.02 2 493 140 60 PRO HB3 H 1.74 0.02 2 494 140 60 PRO HG2 H 2.29 0.02 2 495 140 60 PRO HG3 H 1.89 0.02 2 496 140 60 PRO HD2 H 3.90 0.02 2 497 140 60 PRO HD3 H 3.65 0.02 2 498 140 60 PRO C C 176.06 0.25 1 499 140 60 PRO CA C 62.45 0.25 1 500 140 60 PRO CB C 32.25 0.25 1 501 140 60 PRO CG C 27.52 0.25 1 502 140 60 PRO CD C 50.61 0.25 1 503 141 61 LEU H H 8.66 0.02 1 504 141 61 LEU HA H 4.57 0.02 1 505 141 61 LEU HB2 H 1.52 0.02 2 506 141 61 LEU HB3 H 1.63 0.02 2 507 141 61 LEU HG H 1.58 0.02 1 508 141 61 LEU HD1 H 0.93 0.02 2 509 141 61 LEU HD2 H 0.86 0.02 2 510 141 61 LEU C C 175.95 0.25 1 511 141 61 LEU CA C 54.37 0.25 1 512 141 61 LEU CB C 40.29 0.25 1 513 141 61 LEU CG C 26.90 0.25 1 514 141 61 LEU CD1 C 24.64 0.25 2 515 141 61 LEU CD2 C 23.66 0.25 2 516 141 61 LEU N N 125.11 0.15 1 517 142 62 ILE H H 7.08 0.02 1 518 142 62 ILE HA H 3.96 0.02 1 519 142 62 ILE HB H 1.15 0.02 1 520 142 62 ILE HG12 H 0.72 0.02 2 521 142 62 ILE HG13 H 0.85 0.02 2 522 142 62 ILE HG2 H 0.00 0.02 1 523 142 62 ILE HD1 H 0.40 0.02 1 524 142 62 ILE C C 173.69 0.25 1 525 142 62 ILE CA C 59.17 0.25 1 526 142 62 ILE CB C 39.73 0.25 1 527 142 62 ILE CG1 C 26.70 0.25 1 528 142 62 ILE CG2 C 16.71 0.25 1 529 142 62 ILE CD1 C 12.97 0.25 1 530 142 62 ILE N N 122.55 0.15 1 531 143 63 HIS H H 8.32 0.02 1 532 143 63 HIS HA H 4.90 0.02 1 533 143 63 HIS HB2 H 3.27 0.02 2 534 143 63 HIS HB3 H 2.98 0.02 2 535 143 63 HIS C C 174.57 0.25 1 536 143 63 HIS CA C 54.12 0.25 1 537 143 63 HIS CB C 29.19 0.25 1 538 143 63 HIS N N 122.20 0.15 1 539 144 64 PHE H H 10.20 0.02 1 540 144 64 PHE HA H 4.19 0.02 1 541 144 64 PHE HB2 H 3.31 0.02 2 542 144 64 PHE HB3 H 2.84 0.02 2 543 144 64 PHE HD1 H 7.37 0.02 3 544 144 64 PHE HD2 H 7.37 0.02 3 545 144 64 PHE HE1 H 6.92 0.02 3 546 144 64 PHE HE2 H 6.92 0.02 3 547 144 64 PHE HZ H 6.59 0.02 1 548 144 64 PHE C C 176.97 0.25 1 549 144 64 PHE CA C 59.94 0.25 1 550 144 64 PHE CB C 40.04 0.25 1 551 144 64 PHE CD1 C 132.01 0.25 3 552 144 64 PHE CD2 C 132.01 0.25 3 553 144 64 PHE CE1 C 130.88 0.25 3 554 144 64 PHE CE2 C 130.88 0.25 3 555 144 64 PHE CZ C 128.96 0.25 1 556 144 64 PHE N N 125.52 0.15 1 557 145 65 GLY H H 9.01 0.02 1 558 145 65 GLY HA2 H 3.73 0.02 2 559 145 65 GLY HA3 H 4.08 0.02 2 560 145 65 GLY C C 173.20 0.25 1 561 145 65 GLY CA C 45.66 0.25 1 562 145 65 GLY N N 108.64 0.15 1 563 146 66 ASN H H 7.29 0.02 1 564 146 66 ASN HA H 4.86 0.02 1 565 146 66 ASN HB2 H 2.80 0.02 2 566 146 66 ASN HB3 H 2.78 0.02 2 567 146 66 ASN HD21 H 7.50 0.02 1 568 146 66 ASN HD22 H 7.56 0.02 1 569 146 66 ASN C C 174.22 0.25 1 570 146 66 ASN CA C 52.54 0.25 1 571 146 66 ASN CB C 41.48 0.25 1 572 146 66 ASN N N 114.69 0.15 1 573 146 66 ASN ND2 N 116.00 0.15 1 574 147 67 ASP H H 8.97 0.02 1 575 147 67 ASP HA H 4.42 0.02 1 576 147 67 ASP HB2 H 2.70 0.02 2 577 147 67 ASP HB3 H 2.71 0.02 2 578 147 67 ASP C C 177.62 0.25 1 579 147 67 ASP CA C 57.75 0.25 1 580 147 67 ASP CB C 41.05 0.25 1 581 147 67 ASP N N 123.68 0.15 1 582 148 68 TYR H H 8.35 0.02 1 583 148 68 TYR HA H 4.21 0.02 1 584 148 68 TYR HB2 H 3.21 0.02 2 585 148 68 TYR HB3 H 3.04 0.02 2 586 148 68 TYR HD1 H 7.06 0.02 3 587 148 68 TYR HD2 H 7.06 0.02 3 588 148 68 TYR HE1 H 6.72 0.02 3 589 148 68 TYR HE2 H 6.72 0.02 3 590 148 68 TYR C C 177.99 0.25 1 591 148 68 TYR CA C 61.63 0.25 1 592 148 68 TYR CB C 37.57 0.25 1 593 148 68 TYR CD1 C 133.35 0.25 3 594 148 68 TYR CD2 C 133.35 0.25 3 595 148 68 TYR CE1 C 118.22 0.25 3 596 148 68 TYR CE2 C 118.22 0.25 3 597 148 68 TYR N N 119.92 0.15 1 598 149 69 GLU H H 8.24 0.02 1 599 149 69 GLU HA H 3.52 0.02 1 600 149 69 GLU HB2 H 1.88 0.02 2 601 149 69 GLU HB3 H 1.32 0.02 2 602 149 69 GLU HG2 H 2.45 0.02 2 603 149 69 GLU HG3 H 1.85 0.02 2 604 149 69 GLU C C 177.75 0.25 1 605 149 69 GLU CA C 59.78 0.25 1 606 149 69 GLU CB C 29.37 0.25 1 607 149 69 GLU CG C 37.52 0.25 1 608 149 69 GLU N N 119.51 0.15 1 609 150 70 ASP H H 7.98 0.02 1 610 150 70 ASP HA H 4.65 0.02 1 611 150 70 ASP HB2 H 2.81 0.02 2 612 150 70 ASP HB3 H 2.91 0.02 2 613 150 70 ASP C C 178.97 0.25 1 614 150 70 ASP CA C 58.63 0.25 1 615 150 70 ASP CB C 41.04 0.25 1 616 150 70 ASP N N 117.84 0.15 1 617 151 71 ARG H H 8.11 0.02 1 618 151 71 ARG HA H 3.98 0.02 1 619 151 71 ARG HB2 H 1.90 0.02 2 620 151 71 ARG HB3 H 1.90 0.02 2 621 151 71 ARG HG2 H 1.72 0.02 2 622 151 71 ARG HG3 H 1.52 0.02 2 623 151 71 ARG HD2 H 3.19 0.02 1 624 151 71 ARG HD3 H 3.19 0.02 1 625 151 71 ARG C C 177.59 0.25 1 626 151 71 ARG CA C 59.51 0.25 1 627 151 71 ARG CB C 29.87 0.25 1 628 151 71 ARG CG C 27.64 0.25 1 629 151 71 ARG CD C 43.57 0.25 1 630 151 71 ARG N N 119.69 0.15 1 631 152 72 TYR H H 8.42 0.02 1 632 152 72 TYR HA H 3.85 0.02 1 633 152 72 TYR HB2 H 2.73 0.02 2 634 152 72 TYR HB3 H 2.59 0.02 2 635 152 72 TYR HD1 H 6.85 0.02 3 636 152 72 TYR HD2 H 6.85 0.02 3 637 152 72 TYR HE1 H 6.75 0.02 3 638 152 72 TYR HE2 H 6.75 0.02 3 639 152 72 TYR C C 179.57 0.25 1 640 152 72 TYR CA C 61.98 0.25 1 641 152 72 TYR CB C 38.48 0.25 1 642 152 72 TYR CD1 C 132.88 0.25 3 643 152 72 TYR CD2 C 132.88 0.25 3 644 152 72 TYR CE1 C 118.24 0.25 3 645 152 72 TYR CE2 C 118.24 0.25 3 646 152 72 TYR N N 121.04 0.15 1 647 153 73 TYR H H 8.82 0.02 1 648 153 73 TYR HA H 4.26 0.02 1 649 153 73 TYR HB2 H 3.19 0.02 2 650 153 73 TYR HB3 H 3.16 0.02 2 651 153 73 TYR HD1 H 7.26 0.02 3 652 153 73 TYR HD2 H 7.26 0.02 3 653 153 73 TYR HE1 H 6.90 0.02 3 654 153 73 TYR HE2 H 6.90 0.02 3 655 153 73 TYR C C 176.53 0.25 1 656 153 73 TYR CA C 61.26 0.25 1 657 153 73 TYR CB C 38.49 0.25 1 658 153 73 TYR CD1 C 133.28 0.25 3 659 153 73 TYR CD2 C 133.28 0.25 3 660 153 73 TYR CE1 C 118.50 0.25 3 661 153 73 TYR CE2 C 118.50 0.25 3 662 153 73 TYR N N 119.30 0.15 1 663 154 74 ARG H H 7.70 0.02 1 664 154 74 ARG HA H 3.71 0.02 1 665 154 74 ARG HB2 H 1.92 0.02 2 666 154 74 ARG HB3 H 1.93 0.02 2 667 154 74 ARG HG2 H 1.89 0.02 2 668 154 74 ARG HG3 H 1.68 0.02 2 669 154 74 ARG HD2 H 3.24 0.02 2 670 154 74 ARG HD3 H 3.28 0.02 2 671 154 74 ARG C C 179.21 0.25 1 672 154 74 ARG CA C 59.76 0.25 1 673 154 74 ARG CB C 29.64 0.25 1 674 154 74 ARG CG C 28.09 0.25 1 675 154 74 ARG CD C 43.31 0.25 1 676 154 74 ARG N N 116.71 0.15 1 677 155 75 GLU H H 8.05 0.02 1 678 155 75 GLU HA H 4.08 0.02 1 679 155 75 GLU HB2 H 1.89 0.02 2 680 155 75 GLU HB3 H 1.88 0.02 2 681 155 75 GLU HG2 H 2.21 0.02 2 682 155 75 GLU HG3 H 2.43 0.02 2 683 155 75 GLU C C 177.47 0.25 1 684 155 75 GLU CA C 57.96 0.25 1 685 155 75 GLU CB C 29.97 0.25 1 686 155 75 GLU CG C 36.51 0.25 1 687 155 75 GLU N N 115.84 0.15 1 688 156 76 ASN H H 7.54 0.02 1 689 156 76 ASN HA H 4.61 0.02 1 690 156 76 ASN HB2 H 2.26 0.02 2 691 156 76 ASN HB3 H 2.23 0.02 2 692 156 76 ASN HD21 H 6.58 0.02 1 693 156 76 ASN HD22 H 6.83 0.02 1 694 156 76 ASN C C 174.98 0.25 1 695 156 76 ASN CA C 54.29 0.25 1 696 156 76 ASN CB C 40.82 0.25 1 697 156 76 ASN N N 115.06 0.15 1 698 156 76 ASN ND2 N 116.94 0.15 1 699 157 77 MET H H 7.55 0.02 1 700 157 77 MET HA H 3.60 0.02 1 701 157 77 MET HB2 H 1.73 0.02 2 702 157 77 MET HB3 H 1.56 0.02 2 703 157 77 MET HG2 H 2.14 0.02 2 704 157 77 MET HG3 H 1.96 0.02 2 705 157 77 MET HE H 1.82 0.02 1 706 157 77 MET C C 176.30 0.25 1 707 157 77 MET CA C 59.74 0.25 1 708 157 77 MET CB C 32.29 0.25 1 709 157 77 MET CG C 30.58 0.25 1 710 157 77 MET CE C 16.70 0.25 1 711 157 77 MET N N 119.30 0.15 1 712 158 78 TYR H H 7.62 0.02 1 713 158 78 TYR HA H 4.21 0.02 1 714 158 78 TYR HB2 H 3.02 0.02 2 715 158 78 TYR HB3 H 2.96 0.02 2 716 158 78 TYR HD1 H 7.06 0.02 3 717 158 78 TYR HD2 H 7.06 0.02 3 718 158 78 TYR HE1 H 6.87 0.02 3 719 158 78 TYR HE2 H 6.87 0.02 3 720 158 78 TYR C C 175.94 0.25 1 721 158 78 TYR CA C 59.10 0.25 1 722 158 78 TYR CB C 36.47 0.25 1 723 158 78 TYR CD1 C 133.20 0.25 3 724 158 78 TYR CD2 C 133.20 0.25 3 725 158 78 TYR CE1 C 118.30 0.25 3 726 158 78 TYR CE2 C 118.30 0.25 3 727 158 78 TYR N N 114.09 0.15 1 728 159 79 ARG H H 7.48 0.02 1 729 159 79 ARG HA H 4.05 0.02 1 730 159 79 ARG HB2 H 1.37 0.02 2 731 159 79 ARG HB3 H 1.62 0.02 2 732 159 79 ARG HG2 H 1.19 0.02 2 733 159 79 ARG HG3 H 0.70 0.02 2 734 159 79 ARG HD2 H 3.06 0.02 1 735 159 79 ARG HD3 H 3.06 0.02 1 736 159 79 ARG C C 176.56 0.25 1 737 159 79 ARG CA C 56.22 0.25 1 738 159 79 ARG CB C 30.52 0.25 1 739 159 79 ARG CG C 27.75 0.25 1 740 159 79 ARG CD C 43.93 0.25 1 741 159 79 ARG N N 118.56 0.15 1 742 160 80 TYR H H 7.40 0.02 1 743 160 80 TYR HA H 5.06 0.02 1 744 160 80 TYR HB2 H 3.27 0.02 2 745 160 80 TYR HB3 H 3.08 0.02 2 746 160 80 TYR HD1 H 7.04 0.02 3 747 160 80 TYR HD2 H 7.04 0.02 3 748 160 80 TYR HE1 H 6.59 0.02 3 749 160 80 TYR HE2 H 6.59 0.02 3 750 160 80 TYR CA C 54.14 0.25 1 751 160 80 TYR CB C 35.90 0.25 1 752 160 80 TYR CD1 C 131.71 0.25 3 753 160 80 TYR CD2 C 131.71 0.25 3 754 160 80 TYR CE1 C 117.48 0.25 3 755 160 80 TYR CE2 C 117.48 0.25 3 756 160 80 TYR N N 120.14 0.15 1 757 161 81 PRO HA H 4.65 0.02 1 758 161 81 PRO HB2 H 2.67 0.02 2 759 161 81 PRO HB3 H 2.00 0.02 2 760 161 81 PRO HG2 H 2.24 0.02 2 761 161 81 PRO HG3 H 1.92 0.02 2 762 161 81 PRO HD2 H 3.98 0.02 2 763 161 81 PRO HD3 H 3.63 0.02 2 764 161 81 PRO C C 175.53 0.25 1 765 161 81 PRO CA C 63.67 0.25 1 766 161 81 PRO CB C 32.92 0.25 1 767 161 81 PRO CG C 27.59 0.25 1 768 161 81 PRO CD C 50.81 0.25 1 769 162 82 ASN H H 8.48 0.02 1 770 162 82 ASN HA H 4.74 0.02 1 771 162 82 ASN HB2 H 3.70 0.02 2 772 162 82 ASN HB3 H 2.50 0.02 2 773 162 82 ASN HD21 H 7.44 0.02 1 774 162 82 ASN HD22 H 6.75 0.02 1 775 162 82 ASN C C 172.81 0.25 1 776 162 82 ASN CA C 51.61 0.25 1 777 162 82 ASN CB C 37.81 0.25 1 778 162 82 ASN N N 115.57 0.15 1 779 162 82 ASN ND2 N 108.62 0.15 1 780 163 83 GLN H H 7.31 0.02 1 781 163 83 GLN HA H 4.50 0.02 1 782 163 83 GLN HB2 H 1.65 0.02 2 783 163 83 GLN HB3 H 1.99 0.02 2 784 163 83 GLN HG2 H 2.15 0.02 2 785 163 83 GLN HG3 H 2.00 0.02 2 786 163 83 GLN HE21 H 6.95 0.02 1 787 163 83 GLN HE22 H 8.04 0.02 1 788 163 83 GLN C C 174.75 0.25 1 789 163 83 GLN CA C 54.15 0.25 1 790 163 83 GLN CB C 33.94 0.25 1 791 163 83 GLN CG C 34.72 0.25 1 792 163 83 GLN N N 113.33 0.15 1 793 163 83 GLN NE2 N 112.91 0.15 1 794 164 84 VAL H H 8.55 0.02 1 795 164 84 VAL HA H 4.87 0.02 1 796 164 84 VAL HB H 2.60 0.02 1 797 164 84 VAL HG1 H 0.74 0.02 2 798 164 84 VAL HG2 H 0.94 0.02 2 799 164 84 VAL C C 173.94 0.25 1 800 164 84 VAL CA C 58.59 0.25 1 801 164 84 VAL CB C 33.75 0.25 1 802 164 84 VAL CG1 C 18.53 0.25 2 803 164 84 VAL CG2 C 23.35 0.25 2 804 164 84 VAL N N 112.18 0.15 1 805 165 85 TYR H H 8.24 0.02 1 806 165 85 TYR HA H 5.57 0.02 1 807 165 85 TYR HB2 H 2.61 0.02 2 808 165 85 TYR HB3 H 2.52 0.02 2 809 165 85 TYR HD1 H 6.86 0.02 3 810 165 85 TYR HD2 H 6.86 0.02 3 811 165 85 TYR HE1 H 6.75 0.02 3 812 165 85 TYR HE2 H 6.75 0.02 3 813 165 85 TYR C C 174.57 0.25 1 814 165 85 TYR CA C 57.02 0.25 1 815 165 85 TYR CB C 41.70 0.25 1 816 165 85 TYR CD1 C 132.88 0.25 3 817 165 85 TYR CD2 C 132.88 0.25 3 818 165 85 TYR CE1 C 118.24 0.25 3 819 165 85 TYR CE2 C 118.24 0.25 3 820 165 85 TYR N N 120.85 0.15 1 821 166 86 TYR H H 8.57 0.02 1 822 166 86 TYR HA H 4.78 0.02 1 823 166 86 TYR HB2 H 2.63 0.02 2 824 166 86 TYR HB3 H 2.77 0.02 2 825 166 86 TYR HD1 H 7.11 0.02 3 826 166 86 TYR HD2 H 7.11 0.02 3 827 166 86 TYR HE1 H 6.47 0.02 3 828 166 86 TYR HE2 H 6.47 0.02 3 829 166 86 TYR CA C 55.86 0.25 1 830 166 86 TYR CB C 40.31 0.25 1 831 166 86 TYR CD1 C 134.00 0.25 3 832 166 86 TYR CD2 C 134.00 0.25 3 833 166 86 TYR CE1 C 117.86 0.25 3 834 166 86 TYR CE2 C 117.86 0.25 3 835 166 86 TYR N N 111.06 0.15 1 836 167 87 ARG HA H 4.61 0.02 1 837 167 87 ARG HB2 H 1.57 0.02 1 838 167 87 ARG HG2 H 1.10 0.02 2 839 167 87 ARG HG3 H 1.03 0.02 2 840 167 87 ARG HD2 H 2.80 0.02 2 841 167 87 ARG HD3 H 2.84 0.02 2 842 167 87 ARG CA C 53.39 0.25 1 843 167 87 ARG CB C 29.88 0.25 1 844 167 87 ARG CG C 27.81 0.25 1 845 167 87 ARG CD C 43.49 0.25 1 846 168 88 PRO HA H 4.59 0.02 1 847 168 88 PRO HB2 H 2.47 0.02 2 848 168 88 PRO HB3 H 1.95 0.02 2 849 168 88 PRO HG2 H 2.11 0.02 2 850 168 88 PRO HG3 H 1.93 0.02 2 851 168 88 PRO C C 178.08 0.25 1 852 168 88 PRO CA C 63.45 0.25 1 853 168 88 PRO CB C 32.59 0.25 1 854 168 88 PRO CG C 28.14 0.25 1 855 168 88 PRO CD C 50.26 0.25 1 856 169 89 VAL H H 8.62 0.02 1 857 169 89 VAL HA H 4.26 0.02 1 858 169 89 VAL HB H 1.98 0.02 1 859 169 89 VAL HG1 H 0.72 0.02 2 860 169 89 VAL HG2 H 0.77 0.02 2 861 169 89 VAL CA C 64.95 0.25 1 862 169 89 VAL CB C 32.42 0.25 1 863 169 89 VAL CG1 C 21.50 0.25 2 864 169 89 VAL CG2 C 21.75 0.25 2 865 169 89 VAL N N 119.39 0.15 1 866 170 90 ASP C C 173.38 0.25 1 867 170 90 ASP CA C 53.17 0.25 1 868 170 90 ASP CB C 38.66 0.25 1 869 171 91 GLN H H 7.94 0.02 1 870 171 91 GLN HA H 4.44 0.02 1 871 171 91 GLN HB2 H 1.80 0.02 2 872 171 91 GLN HB3 H 1.62 0.02 2 873 171 91 GLN HG2 H 2.05 0.02 2 874 171 91 GLN HG3 H 2.18 0.02 2 875 171 91 GLN CA C 53.48 0.25 1 876 171 91 GLN CG C 34.79 0.25 1 877 171 91 GLN N N 120.23 0.15 1 878 173 93 SER HA H 4.58 0.02 1 879 173 93 SER HB3 H 4.00 0.02 1 880 173 93 SER CA C 59.15 0.25 1 881 173 93 SER CB C 64.02 0.25 1 882 174 94 ASN HA H 4.72 0.02 1 883 174 94 ASN HB2 H 2.98 0.02 2 884 174 94 ASN HB3 H 3.12 0.02 2 885 174 94 ASN HD21 H 7.51 0.02 1 886 174 94 ASN HD22 H 6.68 0.02 1 887 174 94 ASN C C 173.90 0.25 1 888 174 94 ASN CA C 52.27 0.25 1 889 174 94 ASN CB C 40.22 0.25 1 890 174 94 ASN ND2 N 113.48 0.15 1 891 175 95 GLN H H 8.62 0.02 1 892 175 95 GLN HB2 H 1.57 0.02 2 893 175 95 GLN HB3 H 1.64 0.02 2 894 175 95 GLN HG2 H 1.82 0.02 2 895 175 95 GLN HG3 H 1.13 0.02 2 896 175 95 GLN HE21 H 7.24 0.02 1 897 175 95 GLN HE22 H 6.88 0.02 1 898 175 95 GLN C C 176.83 0.25 1 899 175 95 GLN CA C 59.03 0.25 1 900 175 95 GLN CG C 33.53 0.25 1 901 175 95 GLN N N 119.83 0.15 1 902 175 95 GLN NE2 N 111.70 0.15 1 903 176 96 ASN H H 8.40 0.02 1 904 176 96 ASN HA H 4.21 0.02 1 905 176 96 ASN HB2 H 2.72 0.02 2 906 176 96 ASN HB3 H 2.66 0.02 2 907 176 96 ASN HD21 H 7.57 0.02 1 908 176 96 ASN HD22 H 6.94 0.02 1 909 176 96 ASN C C 177.87 0.25 1 910 176 96 ASN CA C 56.49 0.25 1 911 176 96 ASN CB C 37.68 0.25 1 912 176 96 ASN N N 117.15 0.15 1 913 176 96 ASN ND2 N 112.50 0.15 1 914 177 97 ASN H H 8.59 0.02 1 915 177 97 ASN HA H 4.55 0.02 1 916 177 97 ASN HB2 H 2.93 0.02 2 917 177 97 ASN HB3 H 3.14 0.02 2 918 177 97 ASN HD21 H 7.67 0.02 1 919 177 97 ASN HD22 H 7.15 0.02 1 920 177 97 ASN CA C 56.00 0.25 1 921 177 97 ASN CB C 38.03 0.25 1 922 177 97 ASN N N 118.45 0.15 1 923 177 97 ASN ND2 N 111.70 0.15 1 924 178 98 PHE HB2 H 2.68 0.02 2 925 178 98 PHE HB3 H 3.13 0.02 2 926 178 98 PHE HD1 H 6.67 0.02 3 927 178 98 PHE HD2 H 6.67 0.02 3 928 178 98 PHE HE1 H 7.81 0.02 3 929 178 98 PHE HE2 H 7.81 0.02 3 930 178 98 PHE HZ H 7.24 0.02 1 931 178 98 PHE C C 177.64 0.25 1 932 178 98 PHE CA C 60.89 0.25 1 933 179 99 VAL H H 8.90 0.02 1 934 179 99 VAL HA H 3.44 0.02 1 935 179 99 VAL HB H 2.21 0.02 1 936 179 99 VAL HG1 H 1.03 0.02 2 937 179 99 VAL HG2 H 1.05 0.02 2 938 179 99 VAL C C 176.79 0.25 1 939 179 99 VAL CA C 67.57 0.25 1 940 179 99 VAL CB C 31.95 0.25 1 941 179 99 VAL CG1 C 21.81 0.25 2 942 179 99 VAL CG2 C 24.59 0.25 2 943 179 99 VAL N N 120.36 0.15 1 944 180 100 HIS H H 8.37 0.02 1 945 180 100 HIS HA H 4.30 0.02 1 946 180 100 HIS HB2 H 3.37 0.02 2 947 180 100 HIS HB3 H 3.32 0.02 2 948 180 100 HIS C C 176.98 0.25 1 949 180 100 HIS CA C 59.30 0.25 1 950 180 100 HIS CB C 28.35 0.25 1 951 180 100 HIS N N 116.66 0.15 1 952 181 101 ASP H H 7.53 0.02 1 953 181 101 ASP HA H 4.54 0.02 1 954 181 101 ASP HB2 H 2.92 0.02 2 955 181 101 ASP HB3 H 2.89 0.02 2 956 181 101 ASP C C 176.03 0.25 1 957 181 101 ASP CA C 57.23 0.25 1 958 181 101 ASP CB C 40.98 0.25 1 959 181 101 ASP N N 118.50 0.15 1 960 182 102 CYS H H 8.03 0.02 1 961 182 102 CYS HA H 4.67 0.02 1 962 182 102 CYS HB2 H 3.24 0.02 2 963 182 102 CYS HB3 H 2.91 0.02 2 964 182 102 CYS C C 177.17 0.25 1 965 182 102 CYS CA C 58.66 0.25 1 966 182 102 CYS CB C 40.73 0.25 1 967 182 102 CYS N N 119.41 0.15 1 968 183 103 VAL H H 9.15 0.02 1 969 183 103 VAL HA H 3.61 0.02 1 970 183 103 VAL HB H 2.14 0.02 1 971 183 103 VAL HG1 H 1.05 0.02 2 972 183 103 VAL HG2 H 0.93 0.02 2 973 183 103 VAL C C 176.98 0.25 1 974 183 103 VAL CA C 66.47 0.25 1 975 183 103 VAL CB C 31.92 0.25 1 976 183 103 VAL CG1 C 23.32 0.25 2 977 183 103 VAL CG2 C 21.41 0.25 2 978 183 103 VAL N N 124.44 0.15 1 979 184 104 ASN H H 7.64 0.02 1 980 184 104 ASN HA H 4.28 0.02 1 981 184 104 ASN HB2 H 2.82 0.02 2 982 184 104 ASN HB3 H 2.75 0.02 2 983 184 104 ASN HD21 H 6.89 0.02 1 984 184 104 ASN HD22 H 7.58 0.02 1 985 184 104 ASN C C 177.63 0.25 1 986 184 104 ASN CA C 56.55 0.25 1 987 184 104 ASN CB C 38.82 0.25 1 988 184 104 ASN N N 115.94 0.15 1 989 184 104 ASN ND2 N 112.60 0.15 1 990 185 105 ILE H H 8.31 0.02 1 991 185 105 ILE HA H 3.79 0.02 1 992 185 105 ILE HB H 1.47 0.02 1 993 185 105 ILE HG12 H 0.72 0.02 2 994 185 105 ILE HG13 H 0.72 0.02 2 995 185 105 ILE HG2 H 0.28 0.02 1 996 185 105 ILE HD1 H 0.32 0.02 1 997 185 105 ILE C C 177.45 0.25 1 998 185 105 ILE CA C 61.53 0.25 1 999 185 105 ILE CB C 37.06 0.25 1 1000 185 105 ILE CG1 C 27.45 0.25 1 1001 185 105 ILE CG2 C 18.73 0.25 1 1002 185 105 ILE CD1 C 11.57 0.25 1 1003 185 105 ILE N N 116.24 0.15 1 1004 186 106 THR H H 7.98 0.02 1 1005 186 106 THR HA H 4.01 0.02 1 1006 186 106 THR HB H 4.43 0.02 1 1007 186 106 THR HG2 H 1.47 0.02 1 1008 186 106 THR C C 177.17 0.25 1 1009 186 106 THR CA C 68.36 0.25 1 1010 186 106 THR CB C 68.22 0.25 1 1011 186 106 THR CG2 C 22.26 0.25 1 1012 186 106 THR N N 117.95 0.15 1 1013 187 107 VAL H H 8.51 0.02 1 1014 187 107 VAL HA H 3.77 0.02 1 1015 187 107 VAL HB H 2.27 0.02 1 1016 187 107 VAL HG1 H 0.96 0.02 2 1017 187 107 VAL HG2 H 1.02 0.02 2 1018 187 107 VAL C C 177.15 0.25 1 1019 187 107 VAL CA C 66.04 0.25 1 1020 187 107 VAL CB C 31.31 0.25 1 1021 187 107 VAL CG1 C 21.52 0.25 2 1022 187 107 VAL CG2 C 22.43 0.25 2 1023 187 107 VAL N N 118.82 0.15 1 1024 188 108 LYS H H 7.40 0.02 1 1025 188 108 LYS HA H 4.24 0.02 1 1026 188 108 LYS HB3 H 1.85 0.02 1 1027 188 108 LYS HG2 H 1.46 0.02 2 1028 188 108 LYS HG3 H 1.54 0.02 2 1029 188 108 LYS HD2 H 1.62 0.02 2 1030 188 108 LYS HD3 H 1.62 0.02 2 1031 188 108 LYS HE2 H 2.95 0.02 1 1032 188 108 LYS HE3 H 2.95 0.02 1 1033 188 108 LYS C C 176.87 0.25 1 1034 188 108 LYS CA C 57.25 0.25 1 1035 188 108 LYS CB C 32.55 0.25 1 1036 188 108 LYS CG C 25.22 0.25 1 1037 188 108 LYS CD C 28.88 0.25 1 1038 188 108 LYS CE C 41.90 0.25 1 1039 188 108 LYS N N 120.04 0.15 1 1040 189 109 GLN H H 7.60 0.02 1 1041 189 109 GLN HA H 4.23 0.02 1 1042 189 109 GLN HB2 H 2.00 0.02 2 1043 189 109 GLN HB3 H 2.20 0.02 2 1044 189 109 GLN HG2 H 2.37 0.02 2 1045 189 109 GLN HG3 H 1.85 0.02 2 1046 189 109 GLN HE21 H 7.13 0.02 1 1047 189 109 GLN HE22 H 6.74 0.02 1 1048 189 109 GLN C C 176.51 0.25 1 1049 189 109 GLN CA C 55.36 0.25 1 1050 189 109 GLN CB C 28.64 0.25 1 1051 189 109 GLN CG C 33.30 0.25 1 1052 189 109 GLN N N 116.26 0.15 1 1053 189 109 GLN NE2 N 111.89 0.15 1 1054 198 110 GLY H H 7.76 0.02 1 1055 198 110 GLY HA2 H 4.05 0.02 2 1056 198 110 GLY HA3 H 3.61 0.02 2 1057 198 110 GLY C C 173.26 0.25 1 1058 198 110 GLY CA C 45.26 0.25 1 1059 198 110 GLY N N 107.43 0.15 1 1060 199 111 GLU H H 8.21 0.02 1 1061 199 111 GLU HA H 4.32 0.02 1 1062 199 111 GLU HB2 H 1.94 0.02 2 1063 199 111 GLU HB3 H 1.81 0.02 2 1064 199 111 GLU HG2 H 2.21 0.02 2 1065 199 111 GLU HG3 H 2.18 0.02 2 1066 199 111 GLU C C 175.35 0.25 1 1067 199 111 GLU CA C 56.16 0.25 1 1068 199 111 GLU CB C 30.89 0.25 1 1069 199 111 GLU CG C 35.70 0.25 1 1070 199 111 GLU N N 120.20 0.15 1 1071 200 112 ASN H H 8.55 0.02 1 1072 200 112 ASN HA H 4.49 0.02 1 1073 200 112 ASN HB2 H 2.69 0.02 2 1074 200 112 ASN HB3 H 2.81 0.02 2 1075 200 112 ASN HD21 H 6.83 0.02 1 1076 200 112 ASN HD22 H 7.53 0.02 1 1077 200 112 ASN C C 174.55 0.25 1 1078 200 112 ASN CA C 53.65 0.25 1 1079 200 112 ASN CB C 37.65 0.25 1 1080 200 112 ASN N N 116.11 0.15 1 1081 200 112 ASN ND2 N 113.41 0.15 1 1082 201 113 PHE H H 8.07 0.02 1 1083 201 113 PHE HA H 5.25 0.02 1 1084 201 113 PHE HB2 H 3.23 0.02 2 1085 201 113 PHE HB3 H 3.06 0.02 2 1086 201 113 PHE HD1 H 7.28 0.02 3 1087 201 113 PHE HD2 H 7.28 0.02 3 1088 201 113 PHE HE1 H 7.39 0.02 3 1089 201 113 PHE HE2 H 7.39 0.02 3 1090 201 113 PHE HZ H 7.43 0.02 1 1091 201 113 PHE C C 176.89 0.25 1 1092 201 113 PHE CA C 56.26 0.25 1 1093 201 113 PHE CB C 39.45 0.25 1 1094 201 113 PHE CD1 C 131.01 0.25 3 1095 201 113 PHE CD2 C 131.01 0.25 3 1096 201 113 PHE CE1 C 131.44 0.25 3 1097 201 113 PHE CE2 C 131.44 0.25 3 1098 201 113 PHE CZ C 129.55 0.25 1 1099 201 113 PHE N N 118.76 0.15 1 1100 202 114 THR H H 9.40 0.02 1 1101 202 114 THR HA H 4.58 0.02 1 1102 202 114 THR HB H 4.77 0.02 1 1103 202 114 THR HG2 H 1.41 0.02 1 1104 202 114 THR C C 175.13 0.25 1 1105 202 114 THR CA C 60.52 0.25 1 1106 202 114 THR CB C 71.82 0.25 1 1107 202 114 THR CG2 C 21.69 0.25 1 1108 202 114 THR N N 114.85 0.15 1 1109 203 115 GLU H H 9.02 0.02 1 1110 203 115 GLU HA H 4.04 0.02 1 1111 203 115 GLU HB2 H 2.08 0.02 2 1112 203 115 GLU HB3 H 2.09 0.02 2 1113 203 115 GLU HG2 H 2.30 0.02 2 1114 203 115 GLU HG3 H 2.38 0.02 2 1115 203 115 GLU C C 178.71 0.25 1 1116 203 115 GLU CA C 59.77 0.25 1 1117 203 115 GLU CB C 29.20 0.25 1 1118 203 115 GLU CG C 36.20 0.25 1 1119 203 115 GLU N N 119.84 0.15 1 1120 204 116 THR H H 7.94 0.02 1 1121 204 116 THR HA H 3.81 0.02 1 1122 204 116 THR HB H 3.71 0.02 1 1123 204 116 THR HG2 H 0.61 0.02 1 1124 204 116 THR C C 175.16 0.25 1 1125 204 116 THR CA C 66.19 0.25 1 1126 204 116 THR CB C 68.84 0.25 1 1127 204 116 THR CG2 C 21.06 0.25 1 1128 204 116 THR N N 115.47 0.15 1 1129 205 117 ASP H H 7.56 0.02 1 1130 205 117 ASP HA H 4.48 0.02 1 1131 205 117 ASP HB2 H 3.27 0.02 2 1132 205 117 ASP HB3 H 2.50 0.02 2 1133 205 117 ASP C C 177.52 0.25 1 1134 205 117 ASP CA C 57.50 0.25 1 1135 205 117 ASP CB C 41.51 0.25 1 1136 205 117 ASP N N 119.51 0.15 1 1137 206 118 ILE H H 8.16 0.02 1 1138 206 118 ILE HA H 3.46 0.02 1 1139 206 118 ILE HB H 1.88 0.02 1 1140 206 118 ILE HG12 H 1.57 0.02 2 1141 206 118 ILE HG13 H 1.24 0.02 2 1142 206 118 ILE HG2 H 0.84 0.02 1 1143 206 118 ILE HD1 H 0.77 0.02 1 1144 206 118 ILE C C 177.09 0.25 1 1145 206 118 ILE CA C 64.57 0.25 1 1146 206 118 ILE CB C 37.29 0.25 1 1147 206 118 ILE CG1 C 28.82 0.25 1 1148 206 118 ILE CG2 C 17.22 0.25 1 1149 206 118 ILE CD1 C 12.07 0.25 1 1150 206 118 ILE N N 119.50 0.15 1 1151 207 119 LYS H H 7.67 0.02 1 1152 207 119 LYS HA H 4.05 0.02 1 1153 207 119 LYS HB2 H 1.92 0.02 2 1154 207 119 LYS HB3 H 1.85 0.02 2 1155 207 119 LYS HG2 H 1.42 0.02 2 1156 207 119 LYS HG3 H 1.54 0.02 2 1157 207 119 LYS HD2 H 1.65 0.02 2 1158 207 119 LYS HD3 H 1.64 0.02 2 1159 207 119 LYS HE2 H 2.96 0.02 2 1160 207 119 LYS HE3 H 2.92 0.02 2 1161 207 119 LYS C C 179.78 0.25 1 1162 207 119 LYS CA C 59.09 0.25 1 1163 207 119 LYS CB C 32.18 0.25 1 1164 207 119 LYS CG C 24.99 0.25 1 1165 207 119 LYS CD C 29.06 0.25 1 1166 207 119 LYS CE C 42.04 0.25 1 1167 207 119 LYS N N 119.16 0.15 1 1168 208 120 ILE H H 7.69 0.02 1 1169 208 120 ILE HA H 3.76 0.02 1 1170 208 120 ILE HB H 1.98 0.02 1 1171 208 120 ILE HG12 H 0.91 0.02 2 1172 208 120 ILE HG13 H 1.46 0.02 2 1173 208 120 ILE HG2 H 0.76 0.02 1 1174 208 120 ILE HD1 H 0.61 0.02 1 1175 208 120 ILE C C 177.87 0.25 1 1176 208 120 ILE CA C 63.98 0.25 1 1177 208 120 ILE CB C 37.78 0.25 1 1178 208 120 ILE CG1 C 28.29 0.25 1 1179 208 120 ILE CG2 C 18.21 0.25 1 1180 208 120 ILE CD1 C 13.09 0.25 1 1181 208 120 ILE N N 119.07 0.15 1 1182 209 121 MET H H 8.85 0.02 1 1183 209 121 MET HA H 3.76 0.02 1 1184 209 121 MET HB2 H 1.73 0.02 2 1185 209 121 MET HB3 H 1.75 0.02 2 1186 209 121 MET HG2 H 1.98 0.02 1 1187 209 121 MET HG3 H 1.98 0.02 1 1188 209 121 MET HE H 1.92 0.02 1 1189 209 121 MET C C 177.92 0.25 1 1190 209 121 MET CA C 59.02 0.25 1 1191 209 121 MET CB C 32.99 0.25 1 1192 209 121 MET CG C 32.26 0.25 1 1193 209 121 MET CE C 16.26 0.25 1 1194 209 121 MET N N 118.89 0.15 1 1195 210 122 GLU H H 8.54 0.02 1 1196 210 122 GLU HA H 3.67 0.02 1 1197 210 122 GLU HB2 H 2.15 0.02 2 1198 210 122 GLU HB3 H 1.99 0.02 2 1199 210 122 GLU HG2 H 2.20 0.02 2 1200 210 122 GLU HG3 H 2.54 0.02 2 1201 210 122 GLU C C 178.23 0.25 1 1202 210 122 GLU CA C 60.74 0.25 1 1203 210 122 GLU CB C 28.93 0.25 1 1204 210 122 GLU CG C 36.10 0.25 1 1205 210 122 GLU N N 117.94 0.15 1 1206 211 123 ARG H H 7.24 0.02 1 1207 211 123 ARG HA H 4.20 0.02 1 1208 211 123 ARG HB2 H 2.01 0.02 2 1209 211 123 ARG HB3 H 1.88 0.02 2 1210 211 123 ARG HG2 H 1.77 0.02 2 1211 211 123 ARG HG3 H 1.69 0.02 2 1212 211 123 ARG HD2 H 3.15 0.02 2 1213 211 123 ARG HD3 H 3.17 0.02 2 1214 211 123 ARG C C 179.08 0.25 1 1215 211 123 ARG CA C 58.39 0.25 1 1216 211 123 ARG CB C 30.43 0.25 1 1217 211 123 ARG CG C 27.02 0.25 1 1218 211 123 ARG CD C 43.03 0.25 1 1219 211 123 ARG N N 116.43 0.15 1 1220 212 124 VAL H H 8.05 0.02 1 1221 212 124 VAL HA H 3.47 0.02 1 1222 212 124 VAL HB H 2.10 0.02 1 1223 212 124 VAL HG1 H 1.09 0.02 2 1224 212 124 VAL HG2 H 0.94 0.02 2 1225 212 124 VAL C C 177.76 0.25 1 1226 212 124 VAL CA C 66.30 0.25 1 1227 212 124 VAL CB C 32.79 0.25 1 1228 212 124 VAL CG1 C 21.24 0.25 2 1229 212 124 VAL CG2 C 23.17 0.25 2 1230 212 124 VAL N N 120.19 0.15 1 1231 213 125 VAL H H 9.20 0.02 1 1232 213 125 VAL HA H 3.68 0.02 1 1233 213 125 VAL HB H 2.17 0.02 1 1234 213 125 VAL HG1 H 1.01 0.02 2 1235 213 125 VAL HG2 H 1.19 0.02 2 1236 213 125 VAL C C 177.53 0.25 1 1237 213 125 VAL CA C 65.98 0.25 1 1238 213 125 VAL CB C 31.04 0.25 1 1239 213 125 VAL CG1 C 24.20 0.25 2 1240 213 125 VAL CG2 C 24.49 0.25 2 1241 213 125 VAL N N 119.08 0.15 1 1242 214 126 GLU H H 7.88 0.02 1 1243 214 126 GLU HA H 3.55 0.02 1 1244 214 126 GLU HB2 H 2.09 0.02 2 1245 214 126 GLU HB3 H 2.11 0.02 2 1246 214 126 GLU HG2 H 2.09 0.02 2 1247 214 126 GLU HG3 H 2.05 0.02 2 1248 214 126 GLU C C 177.54 0.25 1 1249 214 126 GLU CA C 60.98 0.25 1 1250 214 126 GLU CB C 29.19 0.25 1 1251 214 126 GLU CG C 36.04 0.25 1 1252 214 126 GLU N N 120.86 0.15 1 1253 215 127 GLN H H 7.06 0.02 1 1254 215 127 GLN HA H 3.96 0.02 1 1255 215 127 GLN HB2 H 2.09 0.02 2 1256 215 127 GLN HB3 H 2.20 0.02 2 1257 215 127 GLN HG2 H 2.45 0.02 2 1258 215 127 GLN HG3 H 2.36 0.02 2 1259 215 127 GLN HE21 H 7.62 0.02 1 1260 215 127 GLN HE22 H 6.88 0.02 1 1261 215 127 GLN C C 178.90 0.25 1 1262 215 127 GLN CA C 58.61 0.25 1 1263 215 127 GLN CB C 27.69 0.25 1 1264 215 127 GLN CG C 33.55 0.25 1 1265 215 127 GLN N N 114.45 0.15 1 1266 215 127 GLN NE2 N 113.90 0.15 1 1267 216 128 MET H H 7.92 0.02 1 1268 216 128 MET HA H 4.14 0.02 1 1269 216 128 MET HB2 H 2.37 0.02 2 1270 216 128 MET HB3 H 2.28 0.02 2 1271 216 128 MET HG2 H 2.74 0.02 2 1272 216 128 MET HG3 H 2.46 0.02 2 1273 216 128 MET HE H 2.16 0.02 1 1274 216 128 MET C C 178.31 0.25 1 1275 216 128 MET CA C 59.71 0.25 1 1276 216 128 MET CB C 34.55 0.25 1 1277 216 128 MET CG C 32.02 0.25 1 1278 216 128 MET CE C 17.33 0.25 1 1279 216 128 MET N N 119.44 0.15 1 1280 217 129 CYS H H 9.24 0.02 1 1281 217 129 CYS HA H 4.38 0.02 1 1282 217 129 CYS HB2 H 3.52 0.02 2 1283 217 129 CYS HB3 H 2.86 0.02 2 1284 217 129 CYS C C 176.91 0.25 1 1285 217 129 CYS CA C 59.86 0.25 1 1286 217 129 CYS CB C 41.94 0.25 1 1287 217 129 CYS N N 118.97 0.15 1 1288 218 130 ILE H H 8.31 0.02 1 1289 218 130 ILE HA H 3.50 0.02 1 1290 218 130 ILE HB H 1.98 0.02 1 1291 218 130 ILE HG12 H 0.82 0.02 2 1292 218 130 ILE HG13 H 1.98 0.02 2 1293 218 130 ILE HG2 H 0.86 0.02 1 1294 218 130 ILE HD1 H 0.82 0.02 1 1295 218 130 ILE C C 177.99 0.25 1 1296 218 130 ILE CA C 66.82 0.25 1 1297 218 130 ILE CB C 38.08 0.25 1 1298 218 130 ILE CG1 C 30.84 0.25 1 1299 218 130 ILE CG2 C 16.96 0.25 1 1300 218 130 ILE CD1 C 13.88 0.25 1 1301 218 130 ILE N N 123.89 0.15 1 1302 219 131 THR H H 8.08 0.02 1 1303 219 131 THR HA H 3.90 0.02 1 1304 219 131 THR HB H 4.36 0.02 1 1305 219 131 THR HG2 H 1.21 0.02 1 1306 219 131 THR C C 176.71 0.25 1 1307 219 131 THR CA C 67.19 0.25 1 1308 219 131 THR CB C 68.13 0.25 1 1309 219 131 THR CG2 C 21.77 0.25 1 1310 219 131 THR N N 118.72 0.15 1 1311 220 132 GLN H H 8.75 0.02 1 1312 220 132 GLN HA H 3.62 0.02 1 1313 220 132 GLN HB2 H 2.11 0.02 2 1314 220 132 GLN HB3 H 2.29 0.02 2 1315 220 132 GLN HG2 H 1.63 0.02 1 1316 220 132 GLN HG3 H 1.63 0.02 1 1317 220 132 GLN HE21 H 7.43 0.02 1 1318 220 132 GLN HE22 H 6.79 0.02 1 1319 220 132 GLN C C 177.17 0.25 1 1320 220 132 GLN CA C 58.66 0.25 1 1321 220 132 GLN CB C 28.14 0.25 1 1322 220 132 GLN CG C 32.56 0.25 1 1323 220 132 GLN N N 122.33 0.15 1 1324 220 132 GLN NE2 N 116.17 0.15 1 1325 221 133 TYR H H 8.61 0.02 1 1326 221 133 TYR HA H 2.88 0.02 1 1327 221 133 TYR HB2 H 2.70 0.02 2 1328 221 133 TYR HB3 H 3.01 0.02 2 1329 221 133 TYR HD1 H 6.16 0.02 3 1330 221 133 TYR HD2 H 6.16 0.02 3 1331 221 133 TYR HE1 H 6.53 0.02 3 1332 221 133 TYR HE2 H 6.53 0.02 3 1333 221 133 TYR C C 178.18 0.25 1 1334 221 133 TYR CA C 62.05 0.25 1 1335 221 133 TYR CB C 36.97 0.25 1 1336 221 133 TYR CD1 C 132.48 0.25 3 1337 221 133 TYR CD2 C 132.48 0.25 3 1338 221 133 TYR CE1 C 117.40 0.25 3 1339 221 133 TYR CE2 C 117.40 0.25 3 1340 221 133 TYR N N 120.71 0.15 1 1341 222 134 GLN H H 8.21 0.02 1 1342 222 134 GLN HA H 3.71 0.02 1 1343 222 134 GLN HB2 H 2.34 0.02 2 1344 222 134 GLN HB3 H 2.07 0.02 2 1345 222 134 GLN HG2 H 2.68 0.02 2 1346 222 134 GLN HG3 H 2.45 0.02 2 1347 222 134 GLN HE21 H 6.80 0.02 1 1348 222 134 GLN HE22 H 7.38 0.02 1 1349 222 134 GLN C C 178.66 0.25 1 1350 222 134 GLN CA C 59.08 0.25 1 1351 222 134 GLN CB C 27.47 0.25 1 1352 222 134 GLN CG C 33.70 0.25 1 1353 222 134 GLN N N 120.07 0.15 1 1354 222 134 GLN NE2 N 110.70 0.15 1 1355 223 135 ARG H H 8.03 0.02 1 1356 223 135 ARG HA H 3.95 0.02 1 1357 223 135 ARG HB2 H 1.82 0.02 2 1358 223 135 ARG HB3 H 1.95 0.02 2 1359 223 135 ARG HG2 H 1.84 0.02 2 1360 223 135 ARG HG3 H 1.59 0.02 2 1361 223 135 ARG HD2 H 3.05 0.02 2 1362 223 135 ARG HD3 H 2.90 0.02 2 1363 223 135 ARG C C 179.57 0.25 1 1364 223 135 ARG CA C 59.19 0.25 1 1365 223 135 ARG CB C 30.44 0.25 1 1366 223 135 ARG CG C 26.81 0.25 1 1367 223 135 ARG CD C 44.17 0.25 1 1368 223 135 ARG N N 118.90 0.15 1 1369 224 136 GLU H H 8.26 0.02 1 1370 224 136 GLU HA H 4.01 0.02 1 1371 224 136 GLU HB2 H 2.14 0.02 2 1372 224 136 GLU HB3 H 1.58 0.02 2 1373 224 136 GLU HG2 H 2.12 0.02 2 1374 224 136 GLU HG3 H 2.35 0.02 2 1375 224 136 GLU C C 178.89 0.25 1 1376 224 136 GLU CA C 57.74 0.25 1 1377 224 136 GLU CB C 29.89 0.25 1 1378 224 136 GLU CG C 36.61 0.25 1 1379 224 136 GLU N N 117.48 0.15 1 1380 225 137 SER H H 8.31 0.02 1 1381 225 137 SER HA H 3.95 0.02 1 1382 225 137 SER HB2 H 3.33 0.02 2 1383 225 137 SER HB3 H 3.55 0.02 2 1384 225 137 SER C C 175.62 0.25 1 1385 225 137 SER CA C 61.02 0.25 1 1386 225 137 SER CB C 62.68 0.25 1 1387 225 137 SER N N 114.93 0.15 1 1388 226 138 GLN H H 7.62 0.02 1 1389 226 138 GLN HA H 4.12 0.02 1 1390 226 138 GLN HB2 H 2.08 0.02 2 1391 226 138 GLN HB3 H 2.09 0.02 2 1392 226 138 GLN HG2 H 2.45 0.02 2 1393 226 138 GLN HG3 H 2.37 0.02 2 1394 226 138 GLN HE21 H 7.54 0.02 1 1395 226 138 GLN HE22 H 6.80 0.02 1 1396 226 138 GLN C C 177.26 0.25 1 1397 226 138 GLN CA C 57.91 0.25 1 1398 226 138 GLN CB C 28.28 0.25 1 1399 226 138 GLN CG C 33.83 0.25 1 1400 226 138 GLN N N 120.30 0.15 1 1401 226 138 GLN NE2 N 112.64 0.15 1 1402 227 139 ALA H H 7.59 0.02 1 1403 227 139 ALA HA H 4.15 0.02 1 1404 227 139 ALA HB H 1.38 0.02 1 1405 227 139 ALA C C 178.71 0.25 1 1406 227 139 ALA CA C 53.90 0.25 1 1407 227 139 ALA CB C 18.48 0.25 1 1408 227 139 ALA N N 120.92 0.15 1 1409 228 140 TYR H H 7.92 0.02 1 1410 228 140 TYR HA H 4.21 0.02 1 1411 228 140 TYR HB2 H 2.95 0.02 2 1412 228 140 TYR HB3 H 2.81 0.02 2 1413 228 140 TYR HD1 H 6.74 0.02 3 1414 228 140 TYR HD2 H 6.74 0.02 3 1415 228 140 TYR HE1 H 6.70 0.02 3 1416 228 140 TYR HE2 H 6.70 0.02 3 1417 228 140 TYR C C 176.80 0.25 1 1418 228 140 TYR CA C 59.85 0.25 1 1419 228 140 TYR CB C 38.68 0.25 1 1420 228 140 TYR CD1 C 133.03 0.25 3 1421 228 140 TYR CD2 C 133.03 0.25 3 1422 228 140 TYR CE1 C 117.90 0.25 3 1423 228 140 TYR CE2 C 117.90 0.25 3 1424 228 140 TYR N N 118.61 0.15 1 1425 229 141 TYR H H 7.86 0.02 1 1426 229 141 TYR HA H 4.36 0.02 1 1427 229 141 TYR HB2 H 2.94 0.02 2 1428 229 141 TYR HB3 H 3.12 0.02 2 1429 229 141 TYR HD1 H 7.17 0.02 3 1430 229 141 TYR HD2 H 7.17 0.02 3 1431 229 141 TYR HE1 H 6.84 0.02 3 1432 229 141 TYR HE2 H 6.84 0.02 3 1433 229 141 TYR C C 176.35 0.25 1 1434 229 141 TYR CA C 59.01 0.25 1 1435 229 141 TYR CB C 38.22 0.25 1 1436 229 141 TYR CD1 C 133.30 0.25 3 1437 229 141 TYR CD2 C 133.30 0.25 3 1438 229 141 TYR CE1 C 117.99 0.25 3 1439 229 141 TYR CE2 C 117.99 0.25 3 1440 229 141 TYR N N 118.57 0.15 1 1441 230 142 GLN H H 7.92 0.02 1 1442 230 142 GLN HA H 4.21 0.02 1 1443 230 142 GLN HB2 H 2.11 0.02 2 1444 230 142 GLN HB3 H 2.02 0.02 2 1445 230 142 GLN HG2 H 2.35 0.02 2 1446 230 142 GLN HG3 H 2.35 0.02 2 1447 230 142 GLN HE21 H 6.75 0.02 1 1448 230 142 GLN HE22 H 7.63 0.02 1 1449 230 142 GLN C C 176.05 0.25 1 1450 230 142 GLN CA C 56.25 0.25 1 1451 230 142 GLN CB C 28.86 0.25 1 1452 230 142 GLN CG C 33.82 0.25 1 1453 230 142 GLN N N 119.85 0.15 1 1454 230 142 GLN NE2 N 111.93 0.15 1 1455 231 143 ARG H H 7.98 0.02 1 1456 231 143 ARG HA H 4.24 0.02 1 1457 231 143 ARG HB2 H 1.78 0.02 2 1458 231 143 ARG HB3 H 1.84 0.02 2 1459 231 143 ARG HG2 H 1.66 0.02 2 1460 231 143 ARG HG3 H 1.66 0.02 2 1461 231 143 ARG HD2 H 3.15 0.02 1 1462 231 143 ARG HD3 H 3.15 0.02 1 1463 231 143 ARG C C 176.89 0.25 1 1464 231 143 ARG CA C 56.64 0.25 1 1465 231 143 ARG CB C 30.69 0.25 1 1466 231 143 ARG CG C 27.02 0.25 1 1467 231 143 ARG CD C 43.41 0.25 1 1468 231 143 ARG N N 120.85 0.15 1 1469 232 144 GLY H H 8.25 0.02 1 1470 232 144 GLY HA2 H 3.92 0.02 2 1471 232 144 GLY HA3 H 3.93 0.02 2 1472 232 144 GLY C C 173.56 0.25 1 1473 232 144 GLY CA C 45.14 0.25 1 1474 232 144 GLY N N 109.45 0.15 1 1475 233 145 ALA H H 8.08 0.02 1 1476 233 145 ALA HA H 4.34 0.02 1 1477 233 145 ALA HB H 1.36 0.02 1 1478 233 145 ALA C C 176.87 0.25 1 1479 233 145 ALA CA C 52.39 0.25 1 1480 233 145 ALA CB C 19.44 0.25 1 1481 233 145 ALA N N 124.05 0.15 1 1482 234 146 SER H H 7.91 0.02 1 1483 234 146 SER HA H 4.26 0.02 1 1484 234 146 SER HB2 H 3.84 0.02 2 1485 234 146 SER HB3 H 3.84 0.02 2 1486 234 146 SER CA C 59.91 0.25 1 1487 234 146 SER CB C 64.87 0.25 1 1488 234 146 SER N N 120.52 0.15 1 stop_ save_