data_25650 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of RNA recognition motif-1 of Plasmodium falciparum serine/arginine-rich protein 1. ; _BMRB_accession_number 25650 _BMRB_flat_file_name bmr25650.str _Entry_type original _Submission_date 2015-06-05 _Accession_date 2015-06-05 _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 Ganguly 'Akshay Kumar' . . 2 Verma Garima . . 3 Bhavesh 'Neel Sarovar' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 415 "13C chemical shifts" 356 "15N chemical shifts" 84 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-12-21 update author 'update entry citation' 2016-07-18 original author 'original release' stop_ _Original_release_date 2016-07-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The N-terminal RNA Recognition Motif of PfSR1 Confers Semi-specificity for Pyrimidines during RNA Recognition ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30500338 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ganguly 'Akshay Kumar' . . 2 Verma Garima . . 3 Bhavesh 'Neel Sarovar' . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _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 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNA recognition motif-1 of serine/arginine-rich protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA recognition motif-1 of serine/arginine-rich protein 1' $PfSR1-RRM1 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_PfSR1-RRM1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PfSR1-RRM1 _Molecular_mass 9997.284 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; GSHMVIRESVSRIYVGNLPS HVSSRDVENEFRKYGNILKC DVKKTVSGAAFAFIEFEDAR DAADAIKEKDGCDFEGNKLR VEVPFNARE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 0 HIS 4 1 MET 5 2 VAL 6 3 ILE 7 4 ARG 8 5 GLU 9 6 SER 10 7 VAL 11 8 SER 12 9 ARG 13 10 ILE 14 11 TYR 15 12 VAL 16 13 GLY 17 14 ASN 18 15 LEU 19 16 PRO 20 17 SER 21 18 HIS 22 19 VAL 23 20 SER 24 21 SER 25 22 ARG 26 23 ASP 27 24 VAL 28 25 GLU 29 26 ASN 30 27 GLU 31 28 PHE 32 29 ARG 33 30 LYS 34 31 TYR 35 32 GLY 36 33 ASN 37 34 ILE 38 35 LEU 39 36 LYS 40 37 CYS 41 38 ASP 42 39 VAL 43 40 LYS 44 41 LYS 45 42 THR 46 43 VAL 47 44 SER 48 45 GLY 49 46 ALA 50 47 ALA 51 48 PHE 52 49 ALA 53 50 PHE 54 51 ILE 55 52 GLU 56 53 PHE 57 54 GLU 58 55 ASP 59 56 ALA 60 57 ARG 61 58 ASP 62 59 ALA 63 60 ALA 64 61 ASP 65 62 ALA 66 63 ILE 67 64 LYS 68 65 GLU 69 66 LYS 70 67 ASP 71 68 GLY 72 69 CYS 73 70 ASP 74 71 PHE 75 72 GLU 76 73 GLY 77 74 ASN 78 75 LYS 79 76 LEU 80 77 ARG 81 78 VAL 82 79 GLU 83 80 VAL 84 81 PRO 85 82 PHE 86 83 ASN 87 84 ALA 88 85 ARG 89 86 GLU 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 NCBI XP_001351730.2 'splicing factor, putative [Plasmodium falciparum 3D7]' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $PfSR1-RRM1 'malaria parasite P. faciparum' 5833 Eukaryota Chromalveolata Plasmodium falciparum 3D7 PFE0865c stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $PfSR1-RRM1 'recombinant technology' . Escherichia coli 'BL21 (DE3)' Codonplus pET28a 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 $PfSR1-RRM1 . mM 0.5 1 '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 25 mM . . 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' TCEP 3 mM . . 'natural abundance' L-arginine 50 mM . . 'natural abundance' L-glutamate 25 mM . . 'natural abundance' D2O 10 % . . 'natural abundance' H2O 90 % . . 'natural abundance' stop_ save_ save_sample_d2o _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $PfSR1-RRM1 . mM 0.5 1 '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 25 mM . . 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' TCEP 3 mM . . 'natural abundance' L-arginine 50 mM . . 'natural abundance' L-glutamate 25 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'peak picking' 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_d2o save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 125 . mM pH 5.9 . pH pressure 1 . atm temperature 298 . 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HNCACB' '3D C(CO)NH' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA recognition motif-1 of serine/arginine-rich protein 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 0 3 HIS HA H 4.59 0.02 1 2 0 3 HIS C C 174 0.3 1 3 0 3 HIS CA C 55.3 0.3 1 4 0 3 HIS CB C 29.3 0.3 1 5 1 4 MET H H 8.32 0.02 1 6 1 4 MET HA H 4.34 0.02 1 7 1 4 MET HB2 H 1.86 0.02 1 8 1 4 MET HG2 H 2.41 0.02 2 9 1 4 MET HG3 H 2.36 0.02 2 10 1 4 MET C C 175.6 0.3 1 11 1 4 MET CA C 55.6 0.3 1 12 1 4 MET CB C 32.8 0.3 1 13 1 4 MET CG C 31.7 0.3 1 14 1 4 MET N N 122.3 0.3 1 15 2 5 VAL H H 8.22 0.02 1 16 2 5 VAL HA H 3.96 0.02 1 17 2 5 VAL HB H 1.89 0.02 1 18 2 5 VAL HG1 H 0.77 0.02 1 19 2 5 VAL HG2 H 0.82 0.02 1 20 2 5 VAL C C 175.6 0.3 1 21 2 5 VAL CA C 62.3 0.3 1 22 2 5 VAL CB C 32.8 0.3 1 23 2 5 VAL CG1 C 20.9 0.3 1 24 2 5 VAL CG2 C 20.7 0.3 1 25 2 5 VAL N N 123.7 0.3 1 26 3 6 ILE H H 8.25 0.02 1 27 3 6 ILE HA H 4.05 0.02 1 28 3 6 ILE HB H 1.73 0.02 1 29 3 6 ILE HG12 H 1.36 0.02 2 30 3 6 ILE HG13 H 1.06 0.02 2 31 3 6 ILE HG2 H 0.77 0.02 1 32 3 6 ILE HD1 H 0.72 0.02 1 33 3 6 ILE C C 175.8 0.3 1 34 3 6 ILE CA C 60.7 0.3 1 35 3 6 ILE CB C 38.3 0.3 1 36 3 6 ILE CG1 C 27.1 0.3 1 37 3 6 ILE CG2 C 17.3 0.3 1 38 3 6 ILE CD1 C 12.5 0.3 1 39 3 6 ILE N N 125.8 0.3 1 40 4 7 ARG H H 8.38 0.02 1 41 4 7 ARG HA H 4.18 0.02 1 42 4 7 ARG HB3 H 1.63 0.02 1 43 4 7 ARG HG2 H 1.53 0.02 2 44 4 7 ARG HG3 H 1.47 0.02 2 45 4 7 ARG HD2 H 3.01 0.02 1 46 4 7 ARG C C 175.9 0.3 1 47 4 7 ARG CA C 56 0.3 1 48 4 7 ARG CB C 30.7 0.3 1 49 4 7 ARG CG C 27.1 0.3 1 50 4 7 ARG CD C 43.2 0.3 1 51 4 7 ARG N N 126.2 0.3 1 52 5 8 GLU H H 8.41 0.02 1 53 5 8 GLU HA H 4.14 0.02 1 54 5 8 GLU HB2 H 1.95 0.02 2 55 5 8 GLU HB3 H 1.83 0.02 2 56 5 8 GLU HG2 H 2.16 0.02 1 57 5 8 GLU C C 176.1 0.3 1 58 5 8 GLU CA C 56.6 0.3 1 59 5 8 GLU CB C 30.3 0.3 1 60 5 8 GLU CG C 36 0.3 1 61 5 8 GLU N N 122.4 0.3 1 62 6 9 SER H H 8.35 0.02 1 63 6 9 SER HA H 4.35 0.02 1 64 6 9 SER HB2 H 3.71 0.02 1 65 6 9 SER C C 174.3 0.3 1 66 6 9 SER CA C 58.2 0.3 1 67 6 9 SER CB C 63.8 0.3 1 68 6 9 SER N N 116.9 0.3 1 69 7 10 VAL H H 7.96 0.02 1 70 7 10 VAL HA H 4.3 0.02 1 71 7 10 VAL HB H 2.13 0.02 1 72 7 10 VAL HG2 H 0.84 0.02 1 73 7 10 VAL C C 175.5 0.3 1 74 7 10 VAL CA C 61.7 0.3 1 75 7 10 VAL CB C 32.8 0.3 1 76 7 10 VAL CG1 C 20.8 0.3 1 77 7 10 VAL CG2 C 19.9 0.3 1 78 7 10 VAL N N 119.7 0.3 1 79 8 11 SER H H 8.47 0.02 1 80 8 11 SER HA H 4.24 0.02 1 81 8 11 SER HB2 H 3.96 0.02 2 82 8 11 SER HB3 H 3.53 0.02 2 83 8 11 SER C C 172.5 0.3 1 84 8 11 SER CA C 58.5 0.3 1 85 8 11 SER CB C 63.6 0.3 1 86 8 11 SER N N 117.7 0.3 1 87 9 12 ARG H H 7.5 0.02 1 88 9 12 ARG HA H 5.5 0.02 1 89 9 12 ARG HB3 H 1.69 0.02 1 90 9 12 ARG HG2 H 1.43 0.02 2 91 9 12 ARG HG3 H 1.34 0.02 2 92 9 12 ARG HD2 H 2.95 0.02 1 93 9 12 ARG C C 175 0.3 1 94 9 12 ARG CA C 54.3 0.3 1 95 9 12 ARG CB C 33.4 0.3 1 96 9 12 ARG CG C 28.2 0.3 1 97 9 12 ARG CD C 43.7 0.3 1 98 9 12 ARG N N 123.2 0.3 1 99 10 13 ILE H H 8.91 0.02 1 100 10 13 ILE HA H 4.9 0.02 1 101 10 13 ILE HB H 1.67 0.02 1 102 10 13 ILE HG12 H 1.08 0.02 2 103 10 13 ILE HG13 H 0.85 0.02 2 104 10 13 ILE HG2 H 0.8 0.02 1 105 10 13 ILE HD1 H 0.49 0.02 1 106 10 13 ILE C C 173 0.3 1 107 10 13 ILE CA C 59 0.3 1 108 10 13 ILE CB C 40.9 0.3 1 109 10 13 ILE CG1 C 24 0.3 1 110 10 13 ILE CG2 C 18.4 0.3 1 111 10 13 ILE CD1 C 14.5 0.3 1 112 10 13 ILE N N 114.6 0.3 1 113 11 14 TYR H H 9 0.02 1 114 11 14 TYR HA H 4.94 0.02 1 115 11 14 TYR HB2 H 2.62 0.02 2 116 11 14 TYR HB3 H 2.58 0.02 2 117 11 14 TYR HD1 H 6.44 0.02 1 118 11 14 TYR HE1 H 6.07 0.02 1 119 11 14 TYR C C 173 0.3 1 120 11 14 TYR CA C 55.9 0.3 1 121 11 14 TYR CB C 40.9 0.3 1 122 11 14 TYR CD2 C 133.2 0.3 1 123 11 14 TYR CE1 C 117.7 0.3 1 124 11 14 TYR N N 123.6 0.3 1 125 12 15 VAL H H 8.39 0.02 1 126 12 15 VAL HA H 4.56 0.02 1 127 12 15 VAL HB H 1.51 0.02 1 128 12 15 VAL HG1 H 0.23 0.02 1 129 12 15 VAL HG2 H 0.68 0.02 1 130 12 15 VAL C C 174.1 0.3 1 131 12 15 VAL CA C 60.2 0.3 1 132 12 15 VAL CB C 33.4 0.3 1 133 12 15 VAL CG1 C 20.7 0.3 1 134 12 15 VAL CG2 C 22.5 0.3 1 135 12 15 VAL N N 126.4 0.3 1 136 13 16 GLY H H 9.57 0.02 1 137 13 16 GLY HA2 H 4.42 0.02 2 138 13 16 GLY HA3 H 3.48 0.02 2 139 13 16 GLY C C 173.1 0.3 1 140 13 16 GLY CA C 43.3 0.3 1 141 13 16 GLY N N 112.7 0.3 1 142 14 17 ASN H H 8.73 0.02 1 143 14 17 ASN HA H 4.27 0.02 1 144 14 17 ASN HB2 H 3.63 0.02 2 145 14 17 ASN HB3 H 2.46 0.02 2 146 14 17 ASN C C 175.8 0.3 1 147 14 17 ASN CA C 53.6 0.3 1 148 14 17 ASN CB C 37.7 0.3 1 149 14 17 ASN N N 114.1 0.3 1 150 15 18 LEU H H 7.24 0.02 1 151 15 18 LEU HA H 4.99 0.02 1 152 15 18 LEU HB2 H 1.15 0.02 2 153 15 18 LEU HB3 H 0.98 0.02 2 154 15 18 LEU HD1 H 0.37 0.02 1 155 15 18 LEU CA C 55.6 0.3 1 156 15 18 LEU CB C 41.6 0.3 1 157 15 18 LEU CD1 C 26.7 0.3 1 158 15 18 LEU N N 116 0.3 1 159 16 19 PRO HA H 4.07 0.02 1 160 16 19 PRO HB2 H 2.33 0.02 2 161 16 19 PRO HB3 H 1.96 0.02 2 162 16 19 PRO HG2 H 1.28 0.02 2 163 16 19 PRO HG3 H 1.24 0.02 2 164 16 19 PRO HD2 H 3.68 0.02 2 165 16 19 PRO HD3 H 3.17 0.02 2 166 16 19 PRO C C 171.5 0.3 1 167 16 19 PRO CA C 62.5 0.3 1 168 16 19 PRO CB C 32 0.3 1 169 16 19 PRO CG C 28.9 0.3 1 170 16 19 PRO CD C 50 0.3 1 171 17 20 SER H H 8.4 0.02 1 172 17 20 SER HA H 4.31 0.02 1 173 17 20 SER HB2 H 3.76 0.02 1 174 17 20 SER C C 174.2 0.3 1 175 17 20 SER CA C 58.2 0.3 1 176 17 20 SER CB C 63.9 0.3 1 177 17 20 SER N N 115.2 0.3 1 178 18 21 HIS H H 8.51 0.02 1 179 18 21 HIS HA H 4.55 0.02 1 180 18 21 HIS HB2 H 3.13 0.02 2 181 18 21 HIS HB3 H 3.03 0.02 2 182 18 21 HIS C C 175.1 0.3 1 183 18 21 HIS CA C 55.5 0.3 1 184 18 21 HIS CB C 29.3 0.3 1 185 18 21 HIS N N 120.6 0.3 1 186 19 22 VAL H H 6.83 0.02 1 187 19 22 VAL HA H 4.26 0.02 1 188 19 22 VAL HB H 2.08 0.02 1 189 19 22 VAL HG1 H 0.91 0.02 1 190 19 22 VAL HG2 H 0.68 0.02 1 191 19 22 VAL C C 174 0.3 1 192 19 22 VAL CA C 61.9 0.3 1 193 19 22 VAL CB C 32.6 0.3 1 194 19 22 VAL CG1 C 22.2 0.3 1 195 19 22 VAL CG2 C 22.5 0.3 1 196 19 22 VAL N N 116.4 0.3 1 197 20 23 SER H H 8.85 0.02 1 198 20 23 SER HA H 4.71 0.02 1 199 20 23 SER HB2 H 4.22 0.02 2 200 20 23 SER HB3 H 3.92 0.02 2 201 20 23 SER C C 175.9 0.3 1 202 20 23 SER CA C 55.8 0.3 1 203 20 23 SER CB C 66.6 0.3 1 204 20 23 SER N N 119 0.3 1 205 21 24 SER H H 9.1 0.02 1 206 21 24 SER HA H 3.88 0.02 1 207 21 24 SER C C 176.2 0.3 1 208 21 24 SER CA C 62.3 0.3 1 209 21 24 SER CB C 66.8 0.3 1 210 21 24 SER N N 117.6 0.3 1 211 22 25 ARG H H 7.99 0.02 1 212 22 25 ARG HA H 3.99 0.02 1 213 22 25 ARG HB2 H 1.73 0.02 2 214 22 25 ARG HB3 H 1.63 0.02 2 215 22 25 ARG HG2 H 1.55 0.02 1 216 22 25 ARG HD2 H 3.08 0.02 1 217 22 25 ARG C C 177.9 0.3 1 218 22 25 ARG CA C 58.7 0.3 1 219 22 25 ARG CB C 29.6 0.3 1 220 22 25 ARG CG C 26.7 0.3 1 221 22 25 ARG CD C 43.2 0.3 1 222 22 25 ARG N N 121.2 0.3 1 223 23 26 ASP H H 7.51 0.02 1 224 23 26 ASP HA H 4.39 0.02 1 225 23 26 ASP HB2 H 2.99 0.02 2 226 23 26 ASP HB3 H 2.73 0.02 2 227 23 26 ASP C C 179.2 0.3 1 228 23 26 ASP CA C 57.3 0.3 1 229 23 26 ASP CB C 41 0.3 1 230 23 26 ASP N N 118.8 0.3 1 231 24 27 VAL H H 7.47 0.02 1 232 24 27 VAL HA H 3.37 0.02 1 233 24 27 VAL HB H 1.76 0.02 1 234 24 27 VAL HG1 H 0.69 0.02 1 235 24 27 VAL HG2 H 0.45 0.02 1 236 24 27 VAL C C 177.5 0.3 1 237 24 27 VAL CA C 66.9 0.3 1 238 24 27 VAL CB C 31.4 0.3 1 239 24 27 VAL CG1 C 24.3 0.3 1 240 24 27 VAL CG2 C 24.2 0.3 1 241 24 27 VAL N N 119.6 0.3 1 242 25 28 GLU H H 8.61 0.02 1 243 25 28 GLU HA H 3.57 0.02 1 244 25 28 GLU HB2 H 2.09 0.02 2 245 25 28 GLU HB3 H 1.97 0.02 2 246 25 28 GLU HG2 H 2.22 0.02 1 247 25 28 GLU C C 178.4 0.3 1 248 25 28 GLU CA C 60.6 0.3 1 249 25 28 GLU CB C 29.6 0.3 1 250 25 28 GLU CG C 36.6 0.3 1 251 25 28 GLU N N 121.3 0.3 1 252 26 29 ASN H H 8.23 0.02 1 253 26 29 ASN HA H 4.31 0.02 1 254 26 29 ASN HB2 H 2.92 0.02 2 255 26 29 ASN HB3 H 2.8 0.02 2 256 26 29 ASN C C 177.4 0.3 1 257 26 29 ASN CA C 55.9 0.3 1 258 26 29 ASN CB C 37.9 0.3 1 259 26 29 ASN N N 114.9 0.3 1 260 27 30 GLU H H 7.38 0.02 1 261 27 30 GLU HA H 4.14 0.02 1 262 27 30 GLU HB2 H 2 0.02 1 263 27 30 GLU HG2 H 1.78 0.02 2 264 27 30 GLU HG3 H 1.49 0.02 2 265 27 30 GLU C C 176.4 0.3 1 266 27 30 GLU CA C 57.4 0.3 1 267 27 30 GLU CB C 29.4 0.3 1 268 27 30 GLU CG C 34.5 0.3 1 269 27 30 GLU N N 118.9 0.3 1 270 28 31 PHE H H 7.69 0.02 1 271 28 31 PHE HA H 4.55 0.02 1 272 28 31 PHE HB2 H 3.42 0.02 2 273 28 31 PHE HB3 H 2.61 0.02 2 274 28 31 PHE HD1 H 7.42 0.02 1 275 28 31 PHE HE1 H 6.71 0.02 1 276 28 31 PHE C C 176.3 0.3 1 277 28 31 PHE CA C 60 0.3 1 278 28 31 PHE CB C 40.8 0.3 1 279 28 31 PHE CD2 C 131.9 0.3 1 280 28 31 PHE CE1 C 130 0.3 1 281 28 31 PHE N N 113.9 0.3 1 282 29 32 ARG H H 8.17 0.02 1 283 29 32 ARG HA H 4.41 0.02 1 284 29 32 ARG HB2 H 2.02 0.02 2 285 29 32 ARG HB3 H 1.82 0.02 2 286 29 32 ARG HG2 H 1.74 0.02 2 287 29 32 ARG HG3 H 1.58 0.02 2 288 29 32 ARG HD2 H 3.19 0.02 1 289 29 32 ARG C C 177.1 0.3 1 290 29 32 ARG CA C 58.2 0.3 1 291 29 32 ARG CB C 29.3 0.3 1 292 29 32 ARG CG C 27 0.3 1 293 29 32 ARG CD C 43.6 0.3 1 294 29 32 ARG N N 121.5 0.3 1 295 30 33 LYS H H 7.63 0.02 1 296 30 33 LYS HA H 3.83 0.02 1 297 30 33 LYS HB2 H 1.35 0.02 2 298 30 33 LYS HB3 H 1.11 0.02 2 299 30 33 LYS HG2 H 0.73 0.02 2 300 30 33 LYS HG3 H 0.26 0.02 2 301 30 33 LYS HD2 H 0.59 0.02 1 302 30 33 LYS HE2 H 2.61 0.02 1 303 30 33 LYS C C 177.1 0.3 1 304 30 33 LYS CA C 57.8 0.3 1 305 30 33 LYS CB C 31.1 0.3 1 306 30 33 LYS CG C 23 0.3 1 307 30 33 LYS CD C 29.8 0.3 1 308 30 33 LYS CE C 41.6 0.3 1 309 30 33 LYS N N 117.2 0.3 1 310 31 34 TYR H H 7.4 0.02 1 311 31 34 TYR HA H 4.15 0.02 1 312 31 34 TYR HB2 H 3.13 0.02 2 313 31 34 TYR HB3 H 2.71 0.02 2 314 31 34 TYR HD1 H 7.28 0.02 1 315 31 34 TYR HE1 H 6.36 0.02 1 316 31 34 TYR C C 174.4 0.3 1 317 31 34 TYR CA C 59.9 0.3 1 318 31 34 TYR CB C 37.9 0.3 1 319 31 34 TYR CD2 C 132.9 0.3 1 320 31 34 TYR CE1 C 117.7 0.3 1 321 31 34 TYR N N 117.3 0.3 1 322 32 35 GLY H H 7.26 0.02 1 323 32 35 GLY HA2 H 4.48 0.02 2 324 32 35 GLY HA3 H 3.64 0.02 2 325 32 35 GLY C C 177 0.3 1 326 32 35 GLY CA C 44.5 0.3 1 327 32 35 GLY N N 104.2 0.3 1 328 33 36 ASN H H 8.41 0.02 1 329 33 36 ASN HA H 4.44 0.02 1 330 33 36 ASN HB2 H 2.69 0.02 2 331 33 36 ASN HB3 H 2.65 0.02 2 332 33 36 ASN C C 175.5 0.3 1 333 33 36 ASN CA C 54.3 0.3 1 334 33 36 ASN CB C 38.4 0.3 1 335 33 36 ASN N N 115.3 0.3 1 336 34 37 ILE H H 8.1 0.02 1 337 34 37 ILE HA H 3.79 0.02 1 338 34 37 ILE HB H 1.42 0.02 1 339 34 37 ILE HG2 H 1.4 0.02 1 340 34 37 ILE HD1 H 0.35 0.02 1 341 34 37 ILE C C 175.6 0.3 1 342 34 37 ILE CA C 61.3 0.3 1 343 34 37 ILE CB C 40 0.3 1 344 34 37 ILE CG1 C 28.1 0.3 1 345 34 37 ILE CG2 C 20.2 0.3 1 346 34 37 ILE CD1 C 17.6 0.3 1 347 34 37 ILE N N 126.8 0.3 1 348 35 38 LEU H H 8.76 0.02 1 349 35 38 LEU HA H 4.16 0.02 1 350 35 38 LEU HB2 H 1.34 0.02 1 351 35 38 LEU HG H 1.27 0.02 1 352 35 38 LEU HD1 H 0.76 0.02 1 353 35 38 LEU HD2 H 0.67 0.02 1 354 35 38 LEU C C 177.2 0.3 1 355 35 38 LEU CA C 55.5 0.3 1 356 35 38 LEU CB C 42.7 0.3 1 357 35 38 LEU CG C 27.2 0.3 1 358 35 38 LEU CD1 C 25.8 0.3 1 359 35 38 LEU CD2 C 22.2 0.3 1 360 35 38 LEU N N 127.4 0.3 1 361 36 39 LYS H H 7.1 0.02 1 362 36 39 LYS HA H 4.24 0.02 1 363 36 39 LYS HB2 H 1.56 0.02 2 364 36 39 LYS HB3 H 1.52 0.02 2 365 36 39 LYS HG2 H 1.03 0.02 1 366 36 39 LYS HD2 H 1.53 0.02 1 367 36 39 LYS HE2 H 2.85 0.02 1 368 36 39 LYS C C 173.6 0.3 1 369 36 39 LYS CA C 55.9 0.3 1 370 36 39 LYS CB C 36.6 0.3 1 371 36 39 LYS CG C 24.7 0.3 1 372 36 39 LYS CD C 28.8 0.3 1 373 36 39 LYS CE C 42.1 0.3 1 374 36 39 LYS N N 116.9 0.3 1 375 37 40 CYS H H 8.63 0.02 1 376 37 40 CYS HA H 4.7 0.02 1 377 37 40 CYS HB2 H 2.79 0.02 2 378 37 40 CYS HB3 H 2.23 0.02 2 379 37 40 CYS C C 171.6 0.3 1 380 37 40 CYS CA C 57.9 0.3 1 381 37 40 CYS CB C 27.1 0.3 1 382 37 40 CYS N N 125.3 0.3 1 383 38 41 ASP H H 8.42 0.02 1 384 38 41 ASP HA H 4.95 0.02 1 385 38 41 ASP HB2 H 2.57 0.02 2 386 38 41 ASP HB3 H 2.4 0.02 2 387 38 41 ASP C C 174.3 0.3 1 388 38 41 ASP CA C 53.2 0.3 1 389 38 41 ASP CB C 44.3 0.3 1 390 38 41 ASP N N 128.2 0.3 1 391 39 42 VAL H H 8.42 0.02 1 392 39 42 VAL HA H 4.3 0.02 1 393 39 42 VAL HB H 1.69 0.02 1 394 39 42 VAL HG1 H 0.53 0.02 1 395 39 42 VAL HG2 H 0.53 0.02 1 396 39 42 VAL C C 175 0.3 1 397 39 42 VAL CA C 61.7 0.3 1 398 39 42 VAL CB C 33.1 0.3 1 399 39 42 VAL CG1 C 22.5 0.3 1 400 39 42 VAL CG2 C 21.1 0.3 1 401 39 42 VAL N N 123.6 0.3 1 402 40 43 LYS H H 8.65 0.02 1 403 40 43 LYS HA H 4.32 0.02 1 404 40 43 LYS HB2 H 1.19 0.02 2 405 40 43 LYS HB3 H 0.32 0.02 2 406 40 43 LYS HG2 H 1.19 0.02 1 407 40 43 LYS HD2 H 1.49 0.02 1 408 40 43 LYS HE2 H 2.82 0.02 1 409 40 43 LYS C C 173.7 0.3 1 410 40 43 LYS CA C 53.9 0.3 1 411 40 43 LYS CB C 35.5 0.3 1 412 40 43 LYS CG C 24.8 0.3 1 413 40 43 LYS CD C 28.8 0.3 1 414 40 43 LYS CE C 42 0.3 1 415 40 43 LYS N N 128.9 0.3 1 416 41 44 LYS H H 7.92 0.02 1 417 41 44 LYS HA H 4.98 0.02 1 418 41 44 LYS HB2 H 1.71 0.02 2 419 41 44 LYS HB3 H 1.54 0.02 2 420 41 44 LYS HG2 H 1.22 0.02 1 421 41 44 LYS HD2 H 1.53 0.02 1 422 41 44 LYS HE2 H 2.78 0.02 1 423 41 44 LYS C C 177.8 0.3 1 424 41 44 LYS CA C 54.6 0.3 1 425 41 44 LYS CB C 35 0.3 1 426 41 44 LYS CG C 25 0.3 1 427 41 44 LYS CD C 28.5 0.3 1 428 41 44 LYS CE C 42.4 0.3 1 429 41 44 LYS N N 117.8 0.3 1 430 42 45 THR H H 8.64 0.02 1 431 42 45 THR HA H 4.68 0.02 1 432 42 45 THR HB H 4.59 0.02 1 433 42 45 THR HG2 H 1.29 0.02 1 434 42 45 THR C C 176.9 0.3 1 435 42 45 THR CA C 60.2 0.3 1 436 42 45 THR CB C 71.6 0.3 1 437 42 45 THR CG2 C 21.9 0.3 1 438 42 45 THR N N 113 0.3 1 439 43 46 VAL H H 8.68 0.02 1 440 43 46 VAL HA H 3.92 0.02 1 441 43 46 VAL HB H 2.14 0.02 1 442 43 46 VAL HG2 H 0.97 0.02 1 443 43 46 VAL C C 177 0.3 1 444 43 46 VAL CA C 64.7 0.3 1 445 43 46 VAL CB C 31.8 0.3 1 446 43 46 VAL CG1 C 24 0.3 1 447 43 46 VAL CG2 C 20.9 0.3 1 448 43 46 VAL N N 120 0.3 1 449 44 47 SER H H 7.85 0.02 1 450 44 47 SER HA H 4.36 0.02 1 451 44 47 SER HB2 H 3.8 0.02 1 452 44 47 SER C C 174.8 0.3 1 453 44 47 SER CA C 58.4 0.3 1 454 44 47 SER CB C 63.5 0.3 1 455 44 47 SER N N 113.5 0.3 1 456 45 48 GLY H H 7.81 0.02 1 457 45 48 GLY HA2 H 4.2 0.02 2 458 45 48 GLY HA3 H 3.65 0.02 2 459 45 48 GLY C C 173.5 0.3 1 460 45 48 GLY CA C 45.3 0.3 1 461 45 48 GLY N N 110.2 0.3 1 462 46 49 ALA H H 7.47 0.02 1 463 46 49 ALA HA H 4.39 0.02 1 464 46 49 ALA HB H 1.37 0.02 1 465 46 49 ALA C C 176.1 0.3 1 466 46 49 ALA CA C 51.9 0.3 1 467 46 49 ALA CB C 19.8 0.3 1 468 46 49 ALA N N 123.7 0.3 1 469 47 50 ALA H H 8.35 0.02 1 470 47 50 ALA HA H 5.2 0.02 1 471 47 50 ALA HB H 0.99 0.02 1 472 47 50 ALA C C 176.1 0.3 1 473 47 50 ALA CA C 50.9 0.3 1 474 47 50 ALA CB C 21.9 0.3 1 475 47 50 ALA N N 123.1 0.3 1 476 48 51 PHE H H 8.55 0.02 1 477 48 51 PHE HA H 5.03 0.02 1 478 48 51 PHE HB2 H 2.92 0.02 2 479 48 51 PHE HB3 H 2.65 0.02 2 480 48 51 PHE HD1 H 6.98 0.02 1 481 48 51 PHE HE1 H 6.61 0.02 1 482 48 51 PHE C C 171.6 0.3 1 483 48 51 PHE CA C 55.7 0.3 1 484 48 51 PHE CB C 41.2 0.3 1 485 48 51 PHE CD2 C 131.3 0.3 1 486 48 51 PHE CE1 C 132.8 0.3 1 487 48 51 PHE N N 118.3 0.3 1 488 49 52 ALA H H 9.13 0.02 1 489 49 52 ALA HA H 5.33 0.02 1 490 49 52 ALA HB H 0.78 0.02 1 491 49 52 ALA C C 175.5 0.3 1 492 49 52 ALA CA C 49.3 0.3 1 493 49 52 ALA CB C 23.7 0.3 1 494 49 52 ALA N N 120 0.3 1 495 50 53 PHE H H 8.1 0.02 1 496 50 53 PHE HA H 5.6 0.02 1 497 50 53 PHE HB3 H 2.81 0.02 1 498 50 53 PHE HD1 H 7.32 0.02 1 499 50 53 PHE HE1 H 7.15 0.02 1 500 50 53 PHE C C 176 0.3 1 501 50 53 PHE CA C 56.5 0.3 1 502 50 53 PHE CB C 42.2 0.3 1 503 50 53 PHE CD2 C 131.4 0.3 1 504 50 53 PHE CE1 C 131.6 0.3 1 505 50 53 PHE N N 115.9 0.3 1 506 51 54 ILE H H 8.57 0.02 1 507 51 54 ILE HA H 4.45 0.02 1 508 51 54 ILE HB H 1.15 0.02 1 509 51 54 ILE HG12 H 0.96 0.02 2 510 51 54 ILE HG13 H 0.51 0.02 2 511 51 54 ILE HG2 H 0 0.02 1 512 51 54 ILE HD1 H -0.18 0.02 1 513 51 54 ILE C C 173.7 0.3 1 514 51 54 ILE CA C 60.2 0.3 1 515 51 54 ILE CB C 40.7 0.3 1 516 51 54 ILE CG1 C 27.2 0.3 1 517 51 54 ILE CG2 C 18.3 0.3 1 518 51 54 ILE CD1 C 14.5 0.3 1 519 51 54 ILE N N 122.8 0.3 1 520 52 55 GLU H H 8.56 0.02 1 521 52 55 GLU HA H 4.77 0.02 1 522 52 55 GLU HB2 H 1.8 0.02 2 523 52 55 GLU HB3 H 1.64 0.02 2 524 52 55 GLU HG2 H 1.98 0.02 2 525 52 55 GLU HG3 H 1.88 0.02 2 526 52 55 GLU C C 175.3 0.3 1 527 52 55 GLU CA C 54.7 0.3 1 528 52 55 GLU CB C 31.5 0.3 1 529 52 55 GLU N N 126.2 0.3 1 530 53 56 PHE H H 8.79 0.02 1 531 53 56 PHE HA H 4.8 0.02 1 532 53 56 PHE HB2 H 3.65 0.02 2 533 53 56 PHE HB3 H 2.75 0.02 2 534 53 56 PHE HD1 H 7.27 0.02 1 535 53 56 PHE HE1 H 7.18 0.02 1 536 53 56 PHE C C 175.4 0.3 1 537 53 56 PHE CA C 58.2 0.3 1 538 53 56 PHE CB C 40.9 0.3 1 539 53 56 PHE CD2 C 131.9 0.3 1 540 53 56 PHE CE1 C 131.9 0.3 1 541 53 56 PHE N N 125.5 0.3 1 542 54 57 GLU H H 8.18 0.02 1 543 54 57 GLU HA H 3.93 0.02 1 544 54 57 GLU HB2 H 1.81 0.02 1 545 54 57 GLU HG2 H 2.25 0.02 2 546 54 57 GLU HG3 H 2.18 0.02 2 547 54 57 GLU C C 175.3 0.3 1 548 54 57 GLU CA C 59.1 0.3 1 549 54 57 GLU CB C 30.8 0.3 1 550 54 57 GLU CG C 36.4 0.3 1 551 54 57 GLU N N 120.5 0.3 1 552 55 58 ASP H H 8.59 0.02 1 553 55 58 ASP HA H 4.92 0.02 1 554 55 58 ASP HB2 H 2.87 0.02 2 555 55 58 ASP HB3 H 2.44 0.02 2 556 55 58 ASP C C 176.4 0.3 1 557 55 58 ASP CA C 52.4 0.3 1 558 55 58 ASP CB C 44.4 0.3 1 559 55 58 ASP N N 117.1 0.3 1 560 56 59 ALA H H 8.82 0.02 1 561 56 59 ALA HA H 3.83 0.02 1 562 56 59 ALA HB H 1.28 0.02 1 563 56 59 ALA C C 179.8 0.3 1 564 56 59 ALA CA C 55.2 0.3 1 565 56 59 ALA CB C 18.9 0.3 1 566 56 59 ALA N N 128.7 0.3 1 567 57 60 ARG H H 8.91 0.02 1 568 57 60 ARG HA H 3.89 0.02 1 569 57 60 ARG HB3 H 1.76 0.02 1 570 57 60 ARG HG2 H 1.59 0.02 1 571 57 60 ARG HD2 H 3.05 0.02 1 572 57 60 ARG C C 178 0.3 1 573 57 60 ARG CA C 58.9 0.3 1 574 57 60 ARG CB C 29.3 0.3 1 575 57 60 ARG CG C 26.7 0.3 1 576 57 60 ARG CD C 43.3 0.3 1 577 57 60 ARG N N 119 0.3 1 578 58 61 ASP H H 7.09 0.02 1 579 58 61 ASP HA H 4.09 0.02 1 580 58 61 ASP HB2 H 2.67 0.02 2 581 58 61 ASP HB3 H 2.3 0.02 2 582 58 61 ASP C C 176.7 0.3 1 583 58 61 ASP CA C 56.5 0.3 1 584 58 61 ASP CB C 39.9 0.3 1 585 58 61 ASP N N 120.7 0.3 1 586 59 62 ALA H H 6.52 0.02 1 587 59 62 ALA HA H 3.08 0.02 1 588 59 62 ALA HB H 1.24 0.02 1 589 59 62 ALA C C 178.1 0.3 1 590 59 62 ALA CA C 54.3 0.3 1 591 59 62 ALA CB C 18.4 0.3 1 592 59 62 ALA N N 119.6 0.3 1 593 60 63 ALA H H 7.41 0.02 1 594 60 63 ALA HA H 3.83 0.02 1 595 60 63 ALA HB H 1.35 0.02 1 596 60 63 ALA C C 180.9 0.3 1 597 60 63 ALA CA C 54.9 0.3 1 598 60 63 ALA CB C 17.7 0.3 1 599 60 63 ALA N N 117.7 0.3 1 600 61 64 ASP H H 7.61 0.02 1 601 61 64 ASP HA H 4.21 0.02 1 602 61 64 ASP HB2 H 2.83 0.02 2 603 61 64 ASP HB3 H 2.61 0.02 2 604 61 64 ASP C C 176.7 0.3 1 605 61 64 ASP CA C 57.1 0.3 1 606 61 64 ASP CB C 40.1 0.3 1 607 61 64 ASP N N 119.9 0.3 1 608 62 65 ALA H H 7.47 0.02 1 609 62 65 ALA HA H 2.42 0.02 1 610 62 65 ALA HB H 1.06 0.02 1 611 62 65 ALA C C 179.3 0.3 1 612 62 65 ALA CA C 54.6 0.3 1 613 62 65 ALA CB C 19.1 0.3 1 614 62 65 ALA N N 122.1 0.3 1 615 63 66 ILE H H 7.62 0.02 1 616 63 66 ILE HA H 3.24 0.02 1 617 63 66 ILE HB H 1.59 0.02 1 618 63 66 ILE HG2 H 0.8 0.02 1 619 63 66 ILE HD1 H 0.84 0.02 1 620 63 66 ILE C C 177.8 0.3 1 621 63 66 ILE CA C 65.6 0.3 1 622 63 66 ILE CB C 38.9 0.3 1 623 63 66 ILE CG1 C 29.9 0.3 1 624 63 66 ILE CG2 C 18.2 0.3 1 625 63 66 ILE CD1 C 17.1 0.3 1 626 63 66 ILE N N 116.9 0.3 1 627 64 67 LYS H H 7.51 0.02 1 628 64 67 LYS HA H 3.9 0.02 1 629 64 67 LYS HB3 H 1.83 0.02 1 630 64 67 LYS HG2 H 1.42 0.02 2 631 64 67 LYS HG3 H 1.34 0.02 2 632 64 67 LYS HD2 H 1.74 0.02 2 633 64 67 LYS HD3 H 1.63 0.02 2 634 64 67 LYS HE2 H 2.91 0.02 1 635 64 67 LYS C C 178.9 0.3 1 636 64 67 LYS CA C 58.8 0.3 1 637 64 67 LYS CB C 32.6 0.3 1 638 64 67 LYS CG C 24.6 0.3 1 639 64 67 LYS CD C 29.7 0.3 1 640 64 67 LYS CE C 42.1 0.3 1 641 64 67 LYS N N 117.5 0.3 1 642 65 68 GLU H H 7.9 0.02 1 643 65 68 GLU HA H 4.16 0.02 1 644 65 68 GLU HB2 H 2.21 0.02 1 645 65 68 GLU HG2 H 2.44 0.02 2 646 65 68 GLU HG3 H 2.2 0.02 2 647 65 68 GLU C C 178.3 0.3 1 648 65 68 GLU CA C 58.3 0.3 1 649 65 68 GLU CB C 30.7 0.3 1 650 65 68 GLU CG C 37.2 0.3 1 651 65 68 GLU N N 113.7 0.3 1 652 66 69 LYS H H 8.06 0.02 1 653 66 69 LYS HA H 4.47 0.02 1 654 66 69 LYS HB3 H 2.05 0.02 1 655 66 69 LYS HG2 H 1.33 0.02 1 656 66 69 LYS HD2 H 1.64 0.02 1 657 66 69 LYS HE2 H 2.56 0.02 1 658 66 69 LYS C C 177.5 0.3 1 659 66 69 LYS CA C 54.4 0.3 1 660 66 69 LYS CB C 33 0.3 1 661 66 69 LYS CG C 23.8 0.3 1 662 66 69 LYS CD C 28 0.3 1 663 66 69 LYS CE C 41.9 0.3 1 664 66 69 LYS N N 114.5 0.3 1 665 67 70 ASP H H 7.75 0.02 1 666 67 70 ASP HA H 4.22 0.02 1 667 67 70 ASP HB2 H 3.25 0.02 2 668 67 70 ASP HB3 H 2.59 0.02 2 669 67 70 ASP C C 177.7 0.3 1 670 67 70 ASP CA C 58.4 0.3 1 671 67 70 ASP CB C 41.4 0.3 1 672 67 70 ASP N N 118.8 0.3 1 673 68 71 GLY H H 8.51 0.02 1 674 68 71 GLY HA2 H 4.17 0.02 2 675 68 71 GLY HA3 H 3.64 0.02 2 676 68 71 GLY C C 173.8 0.3 1 677 68 71 GLY CA C 45.9 0.3 1 678 68 71 GLY N N 115.8 0.3 1 679 69 72 CYS H H 7.89 0.02 1 680 69 72 CYS HA H 4.16 0.02 1 681 69 72 CYS HB2 H 2.98 0.02 2 682 69 72 CYS HB3 H 2.94 0.02 2 683 69 72 CYS C C 172.6 0.3 1 684 69 72 CYS CA C 58 0.3 1 685 69 72 CYS CB C 28.7 0.3 1 686 69 72 CYS N N 119.2 0.3 1 687 70 73 ASP H H 8.4 0.02 1 688 70 73 ASP HA H 4.83 0.02 1 689 70 73 ASP HB2 H 2.48 0.02 2 690 70 73 ASP HB3 H 2.38 0.02 2 691 70 73 ASP C C 176.4 0.3 1 692 70 73 ASP CA C 54.7 0.3 1 693 70 73 ASP CB C 42.7 0.3 1 694 70 73 ASP N N 122.3 0.3 1 695 71 74 PHE H H 9.43 0.02 1 696 71 74 PHE HA H 4.6 0.02 1 697 71 74 PHE HB2 H 2.98 0.02 2 698 71 74 PHE HB3 H 2.73 0.02 2 699 71 74 PHE HD1 H 7.02 0.02 1 700 71 74 PHE HE1 H 6.89 0.02 1 701 71 74 PHE C C 173.6 0.3 1 702 71 74 PHE CA C 56.8 0.3 1 703 71 74 PHE CB C 40.7 0.3 1 704 71 74 PHE CD2 C 131.6 0.3 1 705 71 74 PHE CE1 C 129.3 0.3 1 706 71 74 PHE N N 127.8 0.3 1 707 72 75 GLU H H 8.93 0.02 1 708 72 75 GLU HA H 3.54 0.02 1 709 72 75 GLU HB2 H 2.03 0.02 1 710 72 75 GLU HG2 H 1.6 0.02 2 711 72 75 GLU HG3 H 1.37 0.02 2 712 72 75 GLU C C 175.5 0.3 1 713 72 75 GLU CA C 56.7 0.3 1 714 72 75 GLU CB C 27.3 0.3 1 715 72 75 GLU CG C 35 0.3 1 716 72 75 GLU N N 123.6 0.3 1 717 73 76 GLY H H 8.34 0.02 1 718 73 76 GLY HA2 H 4.19 0.02 2 719 73 76 GLY HA3 H 3.65 0.02 2 720 73 76 GLY C C 174.1 0.3 1 721 73 76 GLY CA C 45.6 0.3 1 722 73 76 GLY N N 105.1 0.3 1 723 74 77 ASN H H 7.74 0.02 1 724 74 77 ASN HA H 4.76 0.02 1 725 74 77 ASN HB2 H 2.92 0.02 2 726 74 77 ASN HB3 H 2.78 0.02 2 727 74 77 ASN C C 174 0.3 1 728 74 77 ASN CA C 50.9 0.3 1 729 74 77 ASN CB C 39.7 0.3 1 730 74 77 ASN N N 121 0.3 1 731 75 78 LYS H H 8.41 0.02 1 732 75 78 LYS HA H 4.47 0.02 1 733 75 78 LYS HB2 H 1.63 0.02 2 734 75 78 LYS HB3 H 1.5 0.02 2 735 75 78 LYS HG2 H 1.19 0.02 1 736 75 78 LYS HD2 H 1.54 0.02 1 737 75 78 LYS HE2 H 2.91 0.02 1 738 75 78 LYS C C 176.9 0.3 1 739 75 78 LYS CA C 55.3 0.3 1 740 75 78 LYS CB C 31.9 0.3 1 741 75 78 LYS CG C 24.5 0.3 1 742 75 78 LYS CD C 28.9 0.3 1 743 75 78 LYS CE C 41.9 0.3 1 744 75 78 LYS N N 121.3 0.3 1 745 76 79 LEU H H 8.95 0.02 1 746 76 79 LEU HA H 4.43 0.02 1 747 76 79 LEU HB2 H 2.09 0.02 1 748 76 79 LEU HG H 1.15 0.02 1 749 76 79 LEU HD1 H 0.56 0.02 1 750 76 79 LEU HD2 H 0.76 0.02 1 751 76 79 LEU C C 177.6 0.3 1 752 76 79 LEU CA C 55.3 0.3 1 753 76 79 LEU CB C 43.1 0.3 1 754 76 79 LEU CD1 C 21.5 0.3 1 755 76 79 LEU CD2 C 19.8 0.3 1 756 76 79 LEU N N 127.5 0.3 1 757 77 80 ARG H H 7.53 0.02 1 758 77 80 ARG HA H 4.9 0.02 1 759 77 80 ARG HB3 H 1.69 0.02 1 760 77 80 ARG HG2 H 1.53 0.02 1 761 77 80 ARG HD2 H 3.25 0.02 2 762 77 80 ARG HD3 H 3.12 0.02 2 763 77 80 ARG C C 174.7 0.3 1 764 77 80 ARG CA C 54 0.3 1 765 77 80 ARG CB C 32.3 0.3 1 766 77 80 ARG CG C 26.8 0.3 1 767 77 80 ARG CD C 43.1 0.3 1 768 77 80 ARG N N 122.6 0.3 1 769 78 81 VAL H H 9.53 0.02 1 770 78 81 VAL HA H 5.28 0.02 1 771 78 81 VAL HB H 1.82 0.02 1 772 78 81 VAL HG2 H 0.92 0.02 1 773 78 81 VAL C C 174.2 0.3 1 774 78 81 VAL CA C 61.2 0.3 1 775 78 81 VAL CB C 33.4 0.3 1 776 78 81 VAL CG1 C 24.1 0.3 1 777 78 81 VAL CG2 C 22.4 0.3 1 778 78 81 VAL N N 127.4 0.3 1 779 79 82 GLU H H 8.96 0.02 1 780 79 82 GLU HA H 4.71 0.02 1 781 79 82 GLU HB2 H 2.05 0.02 2 782 79 82 GLU HB3 H 1.84 0.02 2 783 79 82 GLU HG2 H 2.12 0.02 2 784 79 82 GLU HG3 H 1.93 0.02 2 785 79 82 GLU C C 174.6 0.3 1 786 79 82 GLU CA C 53.9 0.3 1 787 79 82 GLU CB C 34.4 0.3 1 788 79 82 GLU CG C 34.5 0.3 1 789 79 82 GLU N N 121.5 0.3 1 790 80 83 VAL H H 8.39 0.02 1 791 80 83 VAL HA H 4.37 0.02 1 792 80 83 VAL HB H 1.96 0.02 1 793 80 83 VAL HG2 H 0.94 0.02 1 794 80 83 VAL CA C 61 0.3 1 795 80 83 VAL CB C 32.1 0.3 1 796 80 83 VAL CG2 C 21.2 0.3 1 797 80 83 VAL N N 120.8 0.3 1 798 81 84 PRO HA H 4.26 0.02 1 799 81 84 PRO HB2 H 2.13 0.02 2 800 81 84 PRO HB3 H 1.8 0.02 2 801 81 84 PRO HG2 H 1.92 0.02 2 802 81 84 PRO HG3 H 1.73 0.02 2 803 81 84 PRO HD2 H 4.08 0.02 2 804 81 84 PRO HD3 H 3.64 0.02 2 805 81 84 PRO C C 176.1 0.3 1 806 81 84 PRO CA C 63.1 0.3 1 807 81 84 PRO CB C 32.1 0.3 1 808 81 84 PRO CG C 27.8 0.3 1 809 81 84 PRO CD C 50.9 0.3 1 810 82 85 PHE H H 8.1 0.02 1 811 82 85 PHE HA H 4.29 0.02 1 812 82 85 PHE HB2 H 2.96 0.02 2 813 82 85 PHE HB3 H 2.84 0.02 2 814 82 85 PHE HD1 H 7.04 0.02 1 815 82 85 PHE HE1 H 7.05 0.02 1 816 82 85 PHE C C 175.3 0.3 1 817 82 85 PHE CA C 58.1 0.3 1 818 82 85 PHE CB C 39.4 0.3 1 819 82 85 PHE CD2 C 131.5 0.3 1 820 82 85 PHE CE1 C 129.8 0.3 1 821 82 85 PHE N N 121.1 0.3 1 822 83 86 ASN H H 8.07 0.02 1 823 83 86 ASN HA H 4.44 0.02 1 824 83 86 ASN HB2 H 2.57 0.02 2 825 83 86 ASN HB3 H 2.49 0.02 2 826 83 86 ASN C C 174.1 0.3 1 827 83 86 ASN CA C 52.7 0.3 1 828 83 86 ASN CB C 38.7 0.3 1 829 83 86 ASN N N 120.5 0.3 1 830 84 87 ALA H H 7.94 0.02 1 831 84 87 ALA HA H 4.08 0.02 1 832 84 87 ALA HB H 1.2 0.02 1 833 84 87 ALA C C 177.1 0.3 1 834 84 87 ALA CA C 52.4 0.3 1 835 84 87 ALA CB C 19.1 0.3 1 836 84 87 ALA N N 124.2 0.3 1 837 85 88 ARG H H 8.01 0.02 1 838 85 88 ARG HA H 4.15 0.02 1 839 85 88 ARG HB2 H 1.73 0.02 2 840 85 88 ARG HB3 H 1.62 0.02 2 841 85 88 ARG HG2 H 1.49 0.02 1 842 85 88 ARG HD2 H 3.01 0.02 1 843 85 88 ARG C C 175.2 0.3 1 844 85 88 ARG CA C 56 0.3 1 845 85 88 ARG CB C 30.8 0.3 1 846 85 88 ARG CG C 26.7 0.3 1 847 85 88 ARG CD C 43.4 0.3 1 848 85 88 ARG N N 119.9 0.3 1 849 86 89 GLU H H 7.78 0.02 1 850 86 89 GLU HB2 H 1.89 0.02 1 851 86 89 GLU HG2 H 2.04 0.02 1 852 86 89 GLU CA C 58 0.3 1 853 86 89 GLU CB C 30.9 0.3 1 854 86 89 GLU CG C 36.2 0.3 1 855 86 89 GLU N N 126.5 0.3 1 stop_ save_