data_25449 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of RNA recognition motif of a cyclophilin33 - like protein from Plasmodium falciparum ; _BMRB_accession_number 25449 _BMRB_flat_file_name bmr25449.str _Entry_type original _Submission_date 2015-01-22 _Accession_date 2015-01-22 _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 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" 449 "13C chemical shifts" 366 "15N chemical shifts" 97 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-01-25 original BMRB . stop_ _Original_release_date 2016-01-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of RNA recognition motif of a cyclophilin33 - like protein from Plasmodium falciparum ; _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 Ganguly 'Akshay Kumar' . . 2 Bhavesh 'Neel Sarovar' . . 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 'RNA recognition motif of a cyclophilin33 - like protein from Plasmodium falciparum' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RRM $RRM 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_RRM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RRM _Molecular_mass 10149.340 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; GSHMSDNNATDILFVGGIDE TIDEKSLYDIFSSFGDIRNI EVPLNMTTKKNRGFAFVEYV EVDDAKHALYNMNNFELNGK RIHVNYSKT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 0 HIS 4 1 MET 5 2 SER 6 3 ASP 7 4 ASN 8 5 ASN 9 6 ALA 10 7 THR 11 8 ASP 12 9 ILE 13 10 LEU 14 11 PHE 15 12 VAL 16 13 GLY 17 14 GLY 18 15 ILE 19 16 ASP 20 17 GLU 21 18 THR 22 19 ILE 23 20 ASP 24 21 GLU 25 22 LYS 26 23 SER 27 24 LEU 28 25 TYR 29 26 ASP 30 27 ILE 31 28 PHE 32 29 SER 33 30 SER 34 31 PHE 35 32 GLY 36 33 ASP 37 34 ILE 38 35 ARG 39 36 ASN 40 37 ILE 41 38 GLU 42 39 VAL 43 40 PRO 44 41 LEU 45 42 ASN 46 43 MET 47 44 THR 48 45 THR 49 46 LYS 50 47 LYS 51 48 ASN 52 49 ARG 53 50 GLY 54 51 PHE 55 52 ALA 56 53 PHE 57 54 VAL 58 55 GLU 59 56 TYR 60 57 VAL 61 58 GLU 62 59 VAL 63 60 ASP 64 61 ASP 65 62 ALA 66 63 LYS 67 64 HIS 68 65 ALA 69 66 LEU 70 67 TYR 71 68 ASN 72 69 MET 73 70 ASN 74 71 ASN 75 72 PHE 76 73 GLU 77 74 LEU 78 75 ASN 79 76 GLY 80 77 LYS 81 78 ARG 82 79 ILE 83 80 HIS 84 81 VAL 85 82 ASN 86 83 TYR 87 84 SER 88 85 LYS 89 86 THR 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_002809024.1 'RRM containing cyclophilin [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 $RRM Malaria 36329 Eukaryota . Plasmodium falciparum 3D7 PF13_0122 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 $RRM '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 $RRM . mM 0.5 1 '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' DSS 50 uM . . 'natural abundance' D2O 10 % . . 'natural abundance' H2O 90 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $RRM . mM 0.5 1 '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' DSS 50 uM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . 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 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . 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_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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_2 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' 20 . mM pH 6.8 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_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 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' 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 RRM _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 -2 1 GLY HA3 H 3.78 0.02 1 2 -2 1 GLY C C 173.9 0.3 1 3 -2 1 GLY CA C 43.4 0.3 1 4 -1 2 SER H H 8.67 0.02 1 5 -1 2 SER HA H 4.41 0.02 1 6 -1 2 SER HB2 H 3.74 0.02 1 7 -1 2 SER C C 172 0.3 1 8 -1 2 SER CA C 58.2 0.3 1 9 -1 2 SER CB C 63.9 0.3 1 10 -1 2 SER N N 115.6 0.3 1 11 0 3 HIS H H 8.73 0.02 1 12 0 3 HIS HA H 4.59 0.02 1 13 0 3 HIS HB2 H 3.11 0.02 2 14 0 3 HIS HB3 H 3 0.02 2 15 0 3 HIS HD2 H 7.06 0.02 1 16 0 3 HIS C C 174.8 0.3 1 17 0 3 HIS CA C 56.1 0.3 1 18 0 3 HIS CB C 29.9 0.3 1 19 0 3 HIS CD2 C 120.1 0.3 1 20 0 3 HIS N N 121.2 0.3 1 21 1 4 MET H H 8.45 0.02 1 22 1 4 MET HA H 4.37 0.02 1 23 1 4 MET HB2 H 1.99 0.02 2 24 1 4 MET HB3 H 1.88 0.02 2 25 1 4 MET HG2 H 2.45 0.02 2 26 1 4 MET HG3 H 2.37 0.02 2 27 1 4 MET C C 176.3 0.3 1 28 1 4 MET CA C 55.7 0.3 1 29 1 4 MET CB C 32.8 0.3 1 30 1 4 MET CG C 31.9 0.3 1 31 1 4 MET N N 121.8 0.3 1 32 2 5 SER H H 8.41 0.02 1 33 2 5 SER HA H 4.37 0.02 1 34 2 5 SER HB2 H 3.83 0.02 2 35 2 5 SER HB3 H 3.77 0.02 2 36 2 5 SER C C 174.2 0.3 1 37 2 5 SER CA C 58.4 0.3 1 38 2 5 SER CB C 63.8 0.3 1 39 2 5 SER N N 116.7 0.3 1 40 3 6 ASP H H 8.34 0.02 1 41 3 6 ASP HA H 4.55 0.02 1 42 3 6 ASP HB2 H 2.65 0.02 2 43 3 6 ASP HB3 H 2.58 0.02 2 44 3 6 ASP C C 176.1 0.3 1 45 3 6 ASP CA C 54.5 0.3 1 46 3 6 ASP CB C 41.2 0.3 1 47 3 6 ASP N N 122.1 0.3 1 48 4 7 ASN H H 8.42 0.02 1 49 4 7 ASN HA H 4.58 0.02 1 50 4 7 ASN HB2 H 2.69 0.02 1 51 4 7 ASN HD21 H 7.48 0.02 1 52 4 7 ASN HD22 H 6.86 0.02 1 53 4 7 ASN C C 174.9 0.3 1 54 4 7 ASN CA C 53.7 0.3 1 55 4 7 ASN CB C 38.9 0.3 1 56 4 7 ASN N N 119.1 0.3 1 57 4 7 ASN ND2 N 112.6 0.3 1 58 5 8 ASN H H 8.34 0.02 1 59 5 8 ASN HA H 4.54 0.02 1 60 5 8 ASN HB2 H 2.66 0.02 1 61 5 8 ASN HD21 H 7.53 0.02 1 62 5 8 ASN HD22 H 7.25 0.02 1 63 5 8 ASN C C 173.9 0.3 1 64 5 8 ASN CA C 53.2 0.3 1 65 5 8 ASN CB C 38.7 0.3 1 66 5 8 ASN N N 118.4 0.3 1 67 5 8 ASN ND2 N 114.6 0.3 1 68 6 9 ALA H H 7.59 0.02 1 69 6 9 ALA HA H 2.74 0.02 1 70 6 9 ALA HB H 1.02 0.02 1 71 6 9 ALA C C 177 0.3 1 72 6 9 ALA CA C 52.3 0.3 1 73 6 9 ALA CB C 20 0.3 1 74 6 9 ALA N N 122.1 0.3 1 75 7 10 THR H H 6.84 0.02 1 76 7 10 THR HA H 4.39 0.02 1 77 7 10 THR HB H 4.34 0.02 1 78 7 10 THR HG2 H 1.1 0.02 1 79 7 10 THR C C 171.7 0.3 1 80 7 10 THR CA C 59.8 0.3 1 81 7 10 THR CB C 70.6 0.3 1 82 7 10 THR CG2 C 21.5 0.3 1 83 7 10 THR N N 112.7 0.3 1 84 8 11 ASP H H 8.17 0.02 1 85 8 11 ASP HA H 4.49 0.02 1 86 8 11 ASP HB2 H 3.39 0.02 2 87 8 11 ASP HB3 H 2.38 0.02 2 88 8 11 ASP C C 174.3 0.3 1 89 8 11 ASP CA C 53.5 0.3 1 90 8 11 ASP CB C 39.8 0.3 1 91 8 11 ASP N N 114.6 0.3 1 92 9 12 ILE H H 7.89 0.02 1 93 9 12 ILE HA H 4.81 0.02 1 94 9 12 ILE HB H 1.77 0.02 1 95 9 12 ILE HG12 H 1.76 0.02 2 96 9 12 ILE HG13 H 0.76 0.02 2 97 9 12 ILE HG2 H 0.89 0.02 1 98 9 12 ILE HD1 H 0.71 0.02 1 99 9 12 ILE C C 174.7 0.3 1 100 9 12 ILE CA C 60.6 0.3 1 101 9 12 ILE CB C 40.3 0.3 1 102 9 12 ILE CG1 C 27.8 0.3 1 103 9 12 ILE CG2 C 17.7 0.3 1 104 9 12 ILE CD1 C 13.8 0.3 1 105 9 12 ILE N N 117.8 0.3 1 106 10 13 LEU H H 9.37 0.02 1 107 10 13 LEU HA H 4.96 0.02 1 108 10 13 LEU HB2 H 1.63 0.02 2 109 10 13 LEU HB3 H 1.05 0.02 2 110 10 13 LEU HG H 0.88 0.02 1 111 10 13 LEU HD1 H 0.92 0.02 1 112 10 13 LEU HD2 H 0.62 0.02 1 113 10 13 LEU C C 176.1 0.3 1 114 10 13 LEU CA C 52.9 0.3 1 115 10 13 LEU CB C 43.1 0.3 1 116 10 13 LEU CG C 26.6 0.3 1 117 10 13 LEU CD1 C 23.7 0.3 1 118 10 13 LEU CD2 C 23.7 0.3 1 119 10 13 LEU N N 125.3 0.3 1 120 11 14 PHE H H 9.31 0.02 1 121 11 14 PHE HA H 4.67 0.02 1 122 11 14 PHE HB3 H 2.8 0.02 1 123 11 14 PHE HD2 H 6.83 0.02 1 124 11 14 PHE HE2 H 6.85 0.02 1 125 11 14 PHE C C 173.4 0.3 1 126 11 14 PHE CA C 57 0.3 1 127 11 14 PHE CB C 40.7 0.3 1 128 11 14 PHE CD1 C 131.8 0.3 1 129 11 14 PHE CE2 C 132.1 0.3 1 130 11 14 PHE N N 124.3 0.3 1 131 12 15 VAL H H 8.38 0.02 1 132 12 15 VAL HA H 4.42 0.02 1 133 12 15 VAL HB H 1.49 0.02 1 134 12 15 VAL HG1 H 0.63 0.02 1 135 12 15 VAL HG2 H 0.39 0.02 1 136 12 15 VAL C C 173.9 0.3 1 137 12 15 VAL CA C 60.2 0.3 1 138 12 15 VAL CB C 33.1 0.3 1 139 12 15 VAL CG1 C 21.5 0.3 1 140 12 15 VAL CG2 C 20.8 0.3 1 141 12 15 VAL N N 128.3 0.3 1 142 13 16 GLY H H 9.15 0.02 1 143 13 16 GLY HA2 H 3.75 0.02 2 144 13 16 GLY HA3 H 3.52 0.02 2 145 13 16 GLY C C 173.8 0.3 1 146 13 16 GLY CA C 43.4 0.3 1 147 13 16 GLY N N 111.8 0.3 1 148 14 17 GLY H H 8.26 0.02 1 149 14 17 GLY HA2 H 3.78 0.02 2 150 14 17 GLY HA3 H 4.31 0.02 2 151 14 17 GLY C C 175.4 0.3 1 152 14 17 GLY CA C 45.8 0.3 1 153 14 17 GLY N N 107.6 0.3 1 154 15 18 ILE H H 6.93 0.02 1 155 15 18 ILE HA H 4.04 0.02 1 156 15 18 ILE HG13 H 1.22 0.02 1 157 15 18 ILE HG2 H 0.62 0.02 1 158 15 18 ILE HD1 H 0.34 0.02 1 159 15 18 ILE C C 175.5 0.3 1 160 15 18 ILE CA C 60.5 0.3 1 161 15 18 ILE CB C 38.5 0.3 1 162 15 18 ILE CG1 C 25.1 0.3 1 163 15 18 ILE CG2 C 18.4 0.3 1 164 15 18 ILE CD1 C 13.5 0.3 1 165 15 18 ILE N N 111.1 0.3 1 166 16 19 ASP H H 8.32 0.02 1 167 16 19 ASP HA H 4.58 0.02 1 168 16 19 ASP HB2 H 2.99 0.02 2 169 16 19 ASP HB3 H 2.48 0.02 2 170 16 19 ASP C C 177.2 0.3 1 171 16 19 ASP CA C 53.7 0.3 1 172 16 19 ASP CB C 42.5 0.3 1 173 16 19 ASP N N 122.8 0.3 1 174 17 20 GLU H H 8.83 0.02 1 175 17 20 GLU HA H 4.14 0.02 1 176 17 20 GLU HB2 H 2.03 0.02 1 177 17 20 GLU HG2 H 2.26 0.02 2 178 17 20 GLU HG3 H 2.17 0.02 2 179 17 20 GLU C C 176.8 0.3 1 180 17 20 GLU CA C 58.6 0.3 1 181 17 20 GLU CB C 29.8 0.3 1 182 17 20 GLU CG C 36 0.3 1 183 17 20 GLU N N 119.6 0.3 1 184 18 21 THR H H 8.74 0.02 1 185 18 21 THR HA H 4.25 0.02 1 186 18 21 THR HB H 4.24 0.02 1 187 18 21 THR HG2 H 1.16 0.02 1 188 18 21 THR C C 175.2 0.3 1 189 18 21 THR CA C 62.6 0.3 1 190 18 21 THR CB C 69.6 0.3 1 191 18 21 THR CG2 C 21.8 0.3 1 192 18 21 THR N N 111.3 0.3 1 193 19 22 ILE H H 7.22 0.02 1 194 19 22 ILE HA H 3.88 0.02 1 195 19 22 ILE HB H 1.91 0.02 1 196 19 22 ILE HG13 H 0.83 0.02 1 197 19 22 ILE HG2 H 0.75 0.02 1 198 19 22 ILE HD1 H 0.63 0.02 1 199 19 22 ILE C C 174.3 0.3 1 200 19 22 ILE CA C 59.9 0.3 1 201 19 22 ILE CB C 35.6 0.3 1 202 19 22 ILE CG1 C 25.5 0.3 1 203 19 22 ILE CG2 C 18.3 0.3 1 204 19 22 ILE CD1 C 9.7 0.3 1 205 19 22 ILE N N 123.3 0.3 1 206 20 23 ASP H H 7.79 0.02 1 207 20 23 ASP HA H 4.64 0.02 1 208 20 23 ASP HB2 H 3.09 0.02 2 209 20 23 ASP HB3 H 2.66 0.02 2 210 20 23 ASP C C 175.3 0.3 1 211 20 23 ASP CA C 51.5 0.3 1 212 20 23 ASP CB C 43 0.3 1 213 20 23 ASP N N 125.6 0.3 1 214 21 24 GLU H H 9.22 0.02 1 215 21 24 GLU HA H 3.63 0.02 1 216 21 24 GLU HB2 H 2 0.02 2 217 21 24 GLU HB3 H 1.9 0.02 2 218 21 24 GLU HG2 H 2.27 0.02 2 219 21 24 GLU HG3 H 2.12 0.02 2 220 21 24 GLU C C 177.9 0.3 1 221 21 24 GLU CA C 60.9 0.3 1 222 21 24 GLU CB C 29.2 0.3 1 223 21 24 GLU CG C 36.6 0.3 1 224 21 24 GLU N N 118.4 0.3 1 225 22 25 LYS H H 8.04 0.02 1 226 22 25 LYS HA H 4.06 0.02 1 227 22 25 LYS HB3 H 1.86 0.02 1 228 22 25 LYS HG2 H 1.39 0.02 1 229 22 25 LYS HD2 H 1.57 0.02 1 230 22 25 LYS HE2 H 2.87 0.02 1 231 22 25 LYS C C 178.5 0.3 1 232 22 25 LYS CA C 59.3 0.3 1 233 22 25 LYS CB C 31.8 0.3 1 234 22 25 LYS CG C 24.7 0.3 1 235 22 25 LYS CD C 28.5 0.3 1 236 22 25 LYS CE C 42.2 0.3 1 237 22 25 LYS N N 119.7 0.3 1 238 23 26 SER H H 8.24 0.02 1 239 23 26 SER HA H 4.3 0.02 1 240 23 26 SER HB2 H 4.07 0.02 2 241 23 26 SER HB3 H 3.91 0.02 2 242 23 26 SER C C 177.6 0.3 1 243 23 26 SER CA C 61.8 0.3 1 244 23 26 SER CB C 62.9 0.3 1 245 23 26 SER N N 114.9 0.3 1 246 24 27 LEU H H 7.75 0.02 1 247 24 27 LEU HA H 4.18 0.02 1 248 24 27 LEU HB2 H 1.82 0.02 2 249 24 27 LEU HB3 H 1.15 0.02 2 250 24 27 LEU HG H 1.11 0.02 1 251 24 27 LEU HD1 H 0.41 0.02 1 252 24 27 LEU HD2 H 0.6 0.02 1 253 24 27 LEU C C 178.7 0.3 1 254 24 27 LEU CA C 57.3 0.3 1 255 24 27 LEU CB C 42.1 0.3 1 256 24 27 LEU CG C 27 0.3 1 257 24 27 LEU CD1 C 26.4 0.3 1 258 24 27 LEU CD2 C 23.4 0.3 1 259 24 27 LEU N N 118.8 0.3 1 260 25 28 TYR H H 8.97 0.02 1 261 25 28 TYR HA H 3.63 0.02 1 262 25 28 TYR HB2 H 3.22 0.02 2 263 25 28 TYR HB3 H 3.07 0.02 2 264 25 28 TYR HD2 H 7.04 0.02 1 265 25 28 TYR HE2 H 6.76 0.02 1 266 25 28 TYR C C 178.6 0.3 1 267 25 28 TYR CA C 63.2 0.3 1 268 25 28 TYR CB C 38.2 0.3 1 269 25 28 TYR CD1 C 133.1 0.3 1 270 25 28 TYR CE2 C 118.8 0.3 1 271 25 28 TYR N N 123.2 0.3 1 272 26 29 ASP H H 8.51 0.02 1 273 26 29 ASP HA H 4.27 0.02 1 274 26 29 ASP HB2 H 2.77 0.02 2 275 26 29 ASP HB3 H 2.63 0.02 2 276 26 29 ASP C C 177.9 0.3 1 277 26 29 ASP CA C 57.7 0.3 1 278 26 29 ASP CB C 40 0.3 1 279 26 29 ASP N N 119.8 0.3 1 280 27 30 ILE H H 7.32 0.02 1 281 27 30 ILE HA H 3.96 0.02 1 282 27 30 ILE HB H 1.58 0.02 1 283 27 30 ILE HG13 H 1.11 0.02 1 284 27 30 ILE HG2 H 0.45 0.02 1 285 27 30 ILE HD1 H 0.68 0.02 1 286 27 30 ILE C C 177.7 0.3 1 287 27 30 ILE CA C 63.3 0.3 1 288 27 30 ILE CB C 39 0.3 1 289 27 30 ILE CG1 C 27.6 0.3 1 290 27 30 ILE CG2 C 17.3 0.3 1 291 27 30 ILE CD1 C 13.9 0.3 1 292 27 30 ILE N N 114.7 0.3 1 293 28 31 PHE H H 8.65 0.02 1 294 28 31 PHE HA H 4.37 0.02 1 295 28 31 PHE HB2 H 3.36 0.02 2 296 28 31 PHE HB3 H 2.65 0.02 2 297 28 31 PHE HD2 H 6.77 0.02 1 298 28 31 PHE HE2 H 7.77 0.02 1 299 28 31 PHE C C 179.9 0.3 1 300 28 31 PHE CA C 62.3 0.3 1 301 28 31 PHE CB C 37.3 0.3 1 302 28 31 PHE CD1 C 129.6 0.3 1 303 28 31 PHE CE2 C 132.3 0.3 1 304 28 31 PHE N N 116.9 0.3 1 305 29 32 SER H H 8.88 0.02 1 306 29 32 SER HA H 4.41 0.02 1 307 29 32 SER HB2 H 3.76 0.02 2 308 29 32 SER HB3 H 3.71 0.02 2 309 29 32 SER C C 175.6 0.3 1 310 29 32 SER CA C 61.3 0.3 1 311 29 32 SER CB C 62.2 0.3 1 312 29 32 SER N N 120.1 0.3 1 313 30 33 SER H H 7.27 0.02 1 314 30 33 SER HA H 3.94 0.02 1 315 30 33 SER HB2 H 3.3 0.02 2 316 30 33 SER HB3 H 3.16 0.02 2 317 30 33 SER C C 174.9 0.3 1 318 30 33 SER CA C 60.4 0.3 1 319 30 33 SER CB C 62.4 0.3 1 320 30 33 SER N N 116.2 0.3 1 321 31 34 PHE H H 6.98 0.02 1 322 31 34 PHE HA H 4.28 0.02 1 323 31 34 PHE HB2 H 3.26 0.02 2 324 31 34 PHE HB3 H 2.66 0.02 2 325 31 34 PHE C C 174.1 0.3 1 326 31 34 PHE CA C 58.9 0.3 1 327 31 34 PHE CB C 39.3 0.3 1 328 31 34 PHE N N 115.6 0.3 1 329 32 35 GLY H H 7.3 0.02 1 330 32 35 GLY HA2 H 4.74 0.02 2 331 32 35 GLY HA3 H 3.73 0.02 2 332 32 35 GLY C C 171.6 0.3 1 333 32 35 GLY CA C 44.3 0.3 1 334 32 35 GLY N N 104.9 0.3 1 335 33 36 ASP H H 8.12 0.02 1 336 33 36 ASP HA H 4.51 0.02 1 337 33 36 ASP HB2 H 2.59 0.02 1 338 33 36 ASP C C 176.8 0.3 1 339 33 36 ASP CA C 55.4 0.3 1 340 33 36 ASP CB C 40.6 0.3 1 341 33 36 ASP N N 116.1 0.3 1 342 34 37 ILE H H 8.67 0.02 1 343 34 37 ILE HA H 3.85 0.02 1 344 34 37 ILE HB H 1.69 0.02 1 345 34 37 ILE HG12 H 1.36 0.02 2 346 34 37 ILE HG13 H 0.3 0.02 2 347 34 37 ILE HG2 H 0.54 0.02 1 348 34 37 ILE HD1 H 0.14 0.02 1 349 34 37 ILE C C 176.2 0.3 1 350 34 37 ILE CA C 60.2 0.3 1 351 34 37 ILE CB C 39.9 0.3 1 352 34 37 ILE CG1 C 27.8 0.3 1 353 34 37 ILE CG2 C 17.5 0.3 1 354 34 37 ILE CD1 C 12.7 0.3 1 355 34 37 ILE N N 126.4 0.3 1 356 35 38 ARG H H 9.32 0.02 1 357 35 38 ARG HA H 4.16 0.02 1 358 35 38 ARG HB2 H 1.39 0.02 2 359 35 38 ARG HB3 H 1.33 0.02 2 360 35 38 ARG HG2 H 1.38 0.02 1 361 35 38 ARG HD2 H 3.1 0.02 1 362 35 38 ARG C C 175.6 0.3 1 363 35 38 ARG CA C 57.5 0.3 1 364 35 38 ARG CB C 31.7 0.3 1 365 35 38 ARG CG C 27.4 0.3 1 366 35 38 ARG CD C 43.2 0.3 1 367 35 38 ARG N N 128.9 0.3 1 368 36 39 ASN H H 7.62 0.02 1 369 36 39 ASN HA H 4.71 0.02 1 370 36 39 ASN HB2 H 2.67 0.02 2 371 36 39 ASN HB3 H 2.37 0.02 2 372 36 39 ASN HD21 H 7.62 0.02 1 373 36 39 ASN HD22 H 6.95 0.02 1 374 36 39 ASN C C 172 0.3 1 375 36 39 ASN CA C 53.5 0.3 1 376 36 39 ASN CB C 42.6 0.3 1 377 36 39 ASN N N 114.3 0.3 1 378 36 39 ASN ND2 N 113.4 0.3 1 379 37 40 ILE H H 8.03 0.02 1 380 37 40 ILE HA H 4.77 0.02 1 381 37 40 ILE HB H 1.53 0.02 1 382 37 40 ILE HG13 H 1.56 0.02 1 383 37 40 ILE HG2 H 0.71 0.02 1 384 37 40 ILE HD1 H 0.68 0.02 1 385 37 40 ILE C C 173.3 0.3 1 386 37 40 ILE CA C 60.6 0.3 1 387 37 40 ILE CB C 41.2 0.3 1 388 37 40 ILE CG1 C 28.5 0.3 1 389 37 40 ILE CG2 C 17 0.3 1 390 37 40 ILE CD1 C 13.7 0.3 1 391 37 40 ILE N N 122.7 0.3 1 392 38 41 GLU H H 8.87 0.02 1 393 38 41 GLU HA H 4.66 0.02 1 394 38 41 GLU HB2 H 2.06 0.02 2 395 38 41 GLU HB3 H 1.88 0.02 2 396 38 41 GLU HG2 H 2.18 0.02 2 397 38 41 GLU HG3 H 2 0.02 2 398 38 41 GLU C C 174.8 0.3 1 399 38 41 GLU CA C 54.4 0.3 1 400 38 41 GLU CB C 33.4 0.3 1 401 38 41 GLU CG C 35.7 0.3 1 402 38 41 GLU N N 126.7 0.3 1 403 39 42 VAL H H 8.97 0.02 1 404 39 42 VAL HG2 H 0.55 0.02 1 405 39 42 VAL CA C 58.7 0.3 1 406 39 42 VAL CB C 32.6 0.3 1 407 39 42 VAL CG2 C 21.3 0.3 1 408 39 42 VAL N N 126.4 0.3 1 409 40 43 PRO HA H 4.23 0.02 1 410 40 43 PRO HB2 H 2.33 0.02 2 411 40 43 PRO HB3 H 1.43 0.02 2 412 40 43 PRO HG2 H 1.88 0.02 1 413 40 43 PRO HD2 H 3.46 0.02 2 414 40 43 PRO HD3 H 3.1 0.02 2 415 40 43 PRO C C 176.3 0.3 1 416 40 43 PRO CA C 63.3 0.3 1 417 40 43 PRO CB C 32.5 0.3 1 418 40 43 PRO CG C 27.9 0.3 1 419 40 43 PRO CD C 50.2 0.3 1 420 41 44 LEU H H 8.52 0.02 1 421 41 44 LEU HA H 4.52 0.02 1 422 41 44 LEU HB2 H 1.5 0.02 2 423 41 44 LEU HB3 H 0.94 0.02 2 424 41 44 LEU HG H 0.94 0.02 1 425 41 44 LEU HD1 H 0.72 0.02 1 426 41 44 LEU HD2 H 0.5 0.02 1 427 41 44 LEU C C 177.9 0.3 1 428 41 44 LEU CA C 53.1 0.3 1 429 41 44 LEU CB C 44.3 0.3 1 430 41 44 LEU CG C 25 0.3 1 431 41 44 LEU CD1 C 25.2 0.3 1 432 41 44 LEU CD2 C 22.4 0.3 1 433 41 44 LEU N N 120.7 0.3 1 434 42 45 ASN H H 8.74 0.02 1 435 42 45 ASN HA H 4.56 0.02 1 436 42 45 ASN HB2 H 3.2 0.02 2 437 42 45 ASN HB3 H 2.43 0.02 2 438 42 45 ASN HD21 H 7.72 0.02 1 439 42 45 ASN HD22 H 7.23 0.02 1 440 42 45 ASN C C 176.7 0.3 1 441 42 45 ASN CA C 52.9 0.3 1 442 42 45 ASN CB C 39 0.3 1 443 42 45 ASN N N 121.4 0.3 1 444 42 45 ASN ND2 N 114.7 0.3 1 445 43 46 MET H H 9.08 0.02 1 446 43 46 MET HA H 4.21 0.02 1 447 43 46 MET HB2 H 2.09 0.02 2 448 43 46 MET HB3 H 2.07 0.02 2 449 43 46 MET HG2 H 2.69 0.02 2 450 43 46 MET HG3 H 2.54 0.02 2 451 43 46 MET C C 177.2 0.3 1 452 43 46 MET CA C 57.1 0.3 1 453 43 46 MET CB C 31.6 0.3 1 454 43 46 MET CG C 32.3 0.3 1 455 43 46 MET N N 125.5 0.3 1 456 44 47 THR H H 8.59 0.02 1 457 44 47 THR HA H 4.16 0.02 1 458 44 47 THR HB H 4.26 0.02 1 459 44 47 THR HG2 H 1.17 0.02 1 460 44 47 THR C C 175.9 0.3 1 461 44 47 THR CA C 65.2 0.3 1 462 44 47 THR CB C 68.7 0.3 1 463 44 47 THR CG2 C 21.9 0.3 1 464 44 47 THR N N 114.4 0.3 1 465 45 48 THR H H 7.61 0.02 1 466 45 48 THR HA H 4.16 0.02 1 467 45 48 THR HB H 4.21 0.02 1 468 45 48 THR HG2 H 1.08 0.02 1 469 45 48 THR C C 175.5 0.3 1 470 45 48 THR CA C 62 0.3 1 471 45 48 THR CB C 70 0.3 1 472 45 48 THR CG2 C 21.6 0.3 1 473 45 48 THR N N 110.3 0.3 1 474 46 49 LYS H H 8.46 0.02 1 475 46 49 LYS HA H 3.72 0.02 1 476 46 49 LYS HB2 H 2.09 0.02 2 477 46 49 LYS HB3 H 1.97 0.02 2 478 46 49 LYS HG2 H 1.23 0.02 1 479 46 49 LYS HD2 H 1.53 0.02 1 480 46 49 LYS HE2 H 2.92 0.02 1 481 46 49 LYS C C 174.6 0.3 1 482 46 49 LYS CA C 57.6 0.3 1 483 46 49 LYS CB C 28.9 0.3 1 484 46 49 LYS CG C 25 0.3 1 485 46 49 LYS CD C 28.6 0.3 1 486 46 49 LYS CE C 42.2 0.3 1 487 46 49 LYS N N 115.7 0.3 1 488 47 50 LYS H H 7.61 0.02 1 489 47 50 LYS HA H 4.68 0.02 1 490 47 50 LYS HB3 H 1.86 0.02 1 491 47 50 LYS HG2 H 1.29 0.02 1 492 47 50 LYS HD2 H 1.61 0.02 1 493 47 50 LYS HE2 H 2.87 0.02 1 494 47 50 LYS C C 176.3 0.3 1 495 47 50 LYS CA C 54 0.3 1 496 47 50 LYS CB C 35.1 0.3 1 497 47 50 LYS CG C 25 0.3 1 498 47 50 LYS CD C 28.7 0.3 1 499 47 50 LYS CE C 42.2 0.3 1 500 47 50 LYS N N 117.1 0.3 1 501 48 51 ASN H H 8.74 0.02 1 502 48 51 ASN HA H 4.7 0.02 1 503 48 51 ASN HB2 H 3.25 0.02 2 504 48 51 ASN HB3 H 2.46 0.02 2 505 48 51 ASN HD21 H 7.36 0.02 1 506 48 51 ASN HD22 H 7.27 0.02 1 507 48 51 ASN C C 174 0.3 1 508 48 51 ASN CA C 53.6 0.3 1 509 48 51 ASN CB C 37.7 0.3 1 510 48 51 ASN N N 117.7 0.3 1 511 48 51 ASN ND2 N 116.6 0.3 1 512 49 52 ARG H H 8.53 0.02 1 513 49 52 ARG HA H 4.35 0.02 1 514 49 52 ARG HB2 H 2.28 0.02 2 515 49 52 ARG HB3 H 1.22 0.02 2 516 49 52 ARG HG2 H 1.47 0.02 2 517 49 52 ARG HG3 H 1.4 0.02 2 518 49 52 ARG HD2 H 2.97 0.02 2 519 49 52 ARG HD3 H 2.88 0.02 2 520 49 52 ARG C C 177.5 0.3 1 521 49 52 ARG CA C 55.6 0.3 1 522 49 52 ARG CB C 31.6 0.3 1 523 49 52 ARG CG C 27.5 0.3 1 524 49 52 ARG CD C 44.1 0.3 1 525 49 52 ARG N N 116.8 0.3 1 526 50 53 GLY H H 8.9 0.02 1 527 50 53 GLY HA2 H 4.29 0.02 2 528 50 53 GLY HA3 H 3.8 0.02 2 529 50 53 GLY C C 173.5 0.3 1 530 50 53 GLY CA C 45.8 0.3 1 531 50 53 GLY N N 108.3 0.3 1 532 51 54 PHE H H 6.91 0.02 1 533 51 54 PHE HA H 5.47 0.02 1 534 51 54 PHE HB2 H 2.87 0.02 2 535 51 54 PHE HB3 H 2.46 0.02 2 536 51 54 PHE HD1 H 6.62 0.02 1 537 51 54 PHE HE1 H 7.23 0.02 1 538 51 54 PHE C C 172 0.3 1 539 51 54 PHE CA C 55 0.3 1 540 51 54 PHE CB C 42.7 0.3 1 541 51 54 PHE CD2 C 132.7 0.3 1 542 51 54 PHE CE1 C 131.4 0.3 1 543 51 54 PHE N N 113.9 0.3 1 544 52 55 ALA H H 8.81 0.02 1 545 52 55 ALA HA H 4.63 0.02 1 546 52 55 ALA HB H 0.88 0.02 1 547 52 55 ALA C C 173.9 0.3 1 548 52 55 ALA CA C 50.2 0.3 1 549 52 55 ALA CB C 25.1 0.3 1 550 52 55 ALA N N 120.5 0.3 1 551 53 56 PHE H H 8.73 0.02 1 552 53 56 PHE HA H 5.66 0.02 1 553 53 56 PHE HB2 H 2.84 0.02 2 554 53 56 PHE HB3 H 2.78 0.02 2 555 53 56 PHE HD2 H 7.13 0.02 1 556 53 56 PHE HE2 H 7.46 0.02 1 557 53 56 PHE C C 175.6 0.3 1 558 53 56 PHE CA C 56.2 0.3 1 559 53 56 PHE CB C 42.4 0.3 1 560 53 56 PHE CD1 C 131.9 0.3 1 561 53 56 PHE CE2 C 131.6 0.3 1 562 53 56 PHE N N 115 0.3 1 563 54 57 VAL H H 9.06 0.02 1 564 54 57 VAL HA H 4.1 0.02 1 565 54 57 VAL HB H 1.41 0.02 1 566 54 57 VAL HG1 H 0.19 0.02 1 567 54 57 VAL HG2 H -0.04 0.02 1 568 54 57 VAL C C 173 0.3 1 569 54 57 VAL CA C 61.7 0.3 1 570 54 57 VAL CB C 34.4 0.3 1 571 54 57 VAL CG1 C 21.1 0.3 1 572 54 57 VAL CG2 C 19.4 0.3 1 573 54 57 VAL N N 122.3 0.3 1 574 55 58 GLU H H 8.86 0.02 1 575 55 58 GLU HA H 5.16 0.02 1 576 55 58 GLU HB2 H 2 0.02 2 577 55 58 GLU HB3 H 1.76 0.02 2 578 55 58 GLU HG2 H 2.14 0.02 2 579 55 58 GLU HG3 H 1.99 0.02 2 580 55 58 GLU C C 175.9 0.3 1 581 55 58 GLU CA C 54 0.3 1 582 55 58 GLU CB C 31.7 0.3 1 583 55 58 GLU CG C 35.4 0.3 1 584 55 58 GLU N N 127.3 0.3 1 585 56 59 TYR H H 9.47 0.02 1 586 56 59 TYR HA H 4.52 0.02 1 587 56 59 TYR HB2 H 3.58 0.02 2 588 56 59 TYR HB3 H 2.59 0.02 2 589 56 59 TYR HD1 H 6.97 0.02 1 590 56 59 TYR HE1 H 6.45 0.02 1 591 56 59 TYR C C 175 0.3 1 592 56 59 TYR CA C 59.7 0.3 1 593 56 59 TYR CB C 40.2 0.3 1 594 56 59 TYR CD2 C 132.6 0.3 1 595 56 59 TYR CE1 C 118 0.3 1 596 56 59 TYR N N 127.5 0.3 1 597 57 60 VAL H H 7.8 0.02 1 598 57 60 VAL HA H 3.57 0.02 1 599 57 60 VAL HB H 2.17 0.02 1 600 57 60 VAL HG1 H 0.97 0.02 1 601 57 60 VAL HG2 H 0.81 0.02 1 602 57 60 VAL C C 177 0.3 1 603 57 60 VAL CA C 66.3 0.3 1 604 57 60 VAL CB C 32 0.3 1 605 57 60 VAL CG1 C 21.5 0.3 1 606 57 60 VAL CG2 C 22.9 0.3 1 607 57 60 VAL N N 119.2 0.3 1 608 58 61 GLU H H 9.53 0.02 1 609 58 61 GLU HA H 4.78 0.02 1 610 58 61 GLU HB2 H 2.08 0.02 2 611 58 61 GLU HB3 H 1.84 0.02 2 612 58 61 GLU HG2 H 2.37 0.02 2 613 58 61 GLU HG3 H 2.26 0.02 2 614 58 61 GLU C C 177.5 0.3 1 615 58 61 GLU CA C 53.8 0.3 1 616 58 61 GLU CB C 30.5 0.3 1 617 58 61 GLU CG C 35 0.3 1 618 58 61 GLU N N 118.5 0.3 1 619 59 62 VAL H H 8.65 0.02 1 620 59 62 VAL HA H 3.53 0.02 1 621 59 62 VAL HB H 1.98 0.02 1 622 59 62 VAL HG1 H 0.91 0.02 1 623 59 62 VAL HG2 H 0.78 0.02 1 624 59 62 VAL C C 177.6 0.3 1 625 59 62 VAL CA C 66.1 0.3 1 626 59 62 VAL CB C 31.7 0.3 1 627 59 62 VAL CG1 C 22.3 0.3 1 628 59 62 VAL CG2 C 20.9 0.3 1 629 59 62 VAL N N 125.2 0.3 1 630 60 63 ASP H H 8.97 0.02 1 631 60 63 ASP HA H 4.22 0.02 1 632 60 63 ASP HB2 H 2.54 0.02 2 633 60 63 ASP HB3 H 2.46 0.02 2 634 60 63 ASP C C 178.3 0.3 1 635 60 63 ASP CA C 57.6 0.3 1 636 60 63 ASP CB C 40.5 0.3 1 637 60 63 ASP N N 118.5 0.3 1 638 61 64 ASP H H 6.92 0.02 1 639 61 64 ASP HA H 4.36 0.02 1 640 61 64 ASP HB2 H 2.75 0.02 2 641 61 64 ASP HB3 H 2.38 0.02 2 642 61 64 ASP C C 176.8 0.3 1 643 61 64 ASP CA C 56.9 0.3 1 644 61 64 ASP CB C 39.8 0.3 1 645 61 64 ASP N N 119.9 0.3 1 646 62 65 ALA H H 6.91 0.02 1 647 62 65 ALA HA H 3.38 0.02 1 648 62 65 ALA HB H 1.62 0.02 1 649 62 65 ALA C C 171.6 0.3 1 650 62 65 ALA CA C 55.1 0.3 1 651 62 65 ALA CB C 18.2 0.3 1 652 62 65 ALA N N 122.7 0.3 1 653 63 66 LYS H H 8.02 0.02 1 654 63 66 LYS HA H 4.19 0.02 1 655 63 66 LYS HB3 H 1.75 0.02 1 656 63 66 LYS HG2 H 1.39 0.02 1 657 63 66 LYS HD2 H 1.58 0.02 1 658 63 66 LYS HE2 H 2.76 0.02 1 659 63 66 LYS C C 179.2 0.3 1 660 63 66 LYS CA C 59.3 0.3 1 661 63 66 LYS CB C 32.6 0.3 1 662 63 66 LYS CG C 24.7 0.3 1 663 63 66 LYS CD C 29.9 0.3 1 664 63 66 LYS CE C 41.8 0.3 1 665 63 66 LYS N N 116.2 0.3 1 666 64 67 HIS H H 7.46 0.02 1 667 64 67 HIS HA H 4.31 0.02 1 668 64 67 HIS HB2 H 3.36 0.02 2 669 64 67 HIS HB3 H 3.32 0.02 2 670 64 67 HIS HD2 H 7.3 0.02 1 671 64 67 HIS CA C 58 0.3 1 672 64 67 HIS CB C 29.1 0.3 1 673 64 67 HIS CD2 C 120 0.3 1 674 64 67 HIS N N 117.4 0.3 1 675 65 68 ALA H H 8.19 0.02 1 676 65 68 ALA HA H 2.17 0.02 1 677 65 68 ALA HB H 1.12 0.02 1 678 65 68 ALA C C 178.7 0.3 1 679 65 68 ALA CA C 54.8 0.3 1 680 65 68 ALA CB C 19.4 0.3 1 681 65 68 ALA N N 123.7 0.3 1 682 66 69 LEU H H 8.34 0.02 1 683 66 69 LEU HA H 3.43 0.02 1 684 66 69 LEU HB2 H 1.6 0.02 2 685 66 69 LEU HB3 H 1.29 0.02 2 686 66 69 LEU HG H 1.22 0.02 1 687 66 69 LEU HD1 H 0.44 0.02 1 688 66 69 LEU HD2 H 0.11 0.02 1 689 66 69 LEU C C 178.7 0.3 1 690 66 69 LEU CA C 59.7 0.3 1 691 66 69 LEU CB C 41.1 0.3 1 692 66 69 LEU CG C 27.1 0.3 1 693 66 69 LEU CD1 C 24.9 0.3 1 694 66 69 LEU CD2 C 25.9 0.3 1 695 66 69 LEU N N 119.8 0.3 1 696 67 70 TYR H H 7.76 0.02 1 697 67 70 TYR HA H 4.01 0.02 1 698 67 70 TYR HB2 H 2.97 0.02 2 699 67 70 TYR HB3 H 2.87 0.02 2 700 67 70 TYR HD1 H 7.02 0.02 1 701 67 70 TYR HE1 H 6.75 0.02 1 702 67 70 TYR C C 177.7 0.3 1 703 67 70 TYR CA C 60.5 0.3 1 704 67 70 TYR CB C 38.1 0.3 1 705 67 70 TYR CD2 C 133.3 0.3 1 706 67 70 TYR CE1 C 118 0.3 1 707 67 70 TYR N N 116.2 0.3 1 708 68 71 ASN H H 7.48 0.02 1 709 68 71 ASN HA H 4.43 0.02 1 710 68 71 ASN HB2 H 2.48 0.02 2 711 68 71 ASN HB3 H 2.19 0.02 2 712 68 71 ASN HD21 H 7.59 0.02 1 713 68 71 ASN HD22 H 6.91 0.02 1 714 68 71 ASN C C 176.4 0.3 1 715 68 71 ASN CA C 55.6 0.3 1 716 68 71 ASN CB C 41.4 0.3 1 717 68 71 ASN N N 113.9 0.3 1 718 68 71 ASN ND2 N 112.8 0.3 1 719 69 72 MET H H 8.31 0.02 1 720 69 72 MET HA H 4.76 0.02 1 721 69 72 MET HB2 H 1.67 0.02 1 722 69 72 MET HG2 H 1.78 0.02 1 723 69 72 MET C C 177 0.3 1 724 69 72 MET CA C 53.5 0.3 1 725 69 72 MET CB C 31.1 0.3 1 726 69 72 MET CG C 32.6 0.3 1 727 69 72 MET N N 114.9 0.3 1 728 70 73 ASN H H 7.66 0.02 1 729 70 73 ASN HA H 4.37 0.02 1 730 70 73 ASN HB2 H 2.76 0.02 1 731 70 73 ASN HD21 H 7.62 0.02 1 732 70 73 ASN HD22 H 6.86 0.02 1 733 70 73 ASN C C 176.4 0.3 1 734 70 73 ASN CA C 56.1 0.3 1 735 70 73 ASN CB C 38.7 0.3 1 736 70 73 ASN N N 117.7 0.3 1 737 70 73 ASN ND2 N 113.5 0.3 1 738 71 74 ASN H H 8.6 0.02 1 739 71 74 ASN HA H 4.51 0.02 1 740 71 74 ASN HB2 H 2.82 0.02 2 741 71 74 ASN HB3 H 2.77 0.02 2 742 71 74 ASN HD21 H 7.8 0.02 1 743 71 74 ASN HD22 H 7.01 0.02 1 744 71 74 ASN C C 173.3 0.3 1 745 71 74 ASN CA C 55.8 0.3 1 746 71 74 ASN CB C 38.2 0.3 1 747 71 74 ASN N N 121.5 0.3 1 748 71 74 ASN ND2 N 114.5 0.3 1 749 72 75 PHE H H 7.87 0.02 1 750 72 75 PHE HA H 4.19 0.02 1 751 72 75 PHE HB2 H 3.12 0.02 2 752 72 75 PHE HB3 H 2.8 0.02 2 753 72 75 PHE HD2 H 7.17 0.02 1 754 72 75 PHE HE2 H 7.2 0.02 1 755 72 75 PHE C C 174.1 0.3 1 756 72 75 PHE CA C 58.7 0.3 1 757 72 75 PHE CB C 41.3 0.3 1 758 72 75 PHE CD1 C 131.3 0.3 1 759 72 75 PHE CE2 C 129.5 0.3 1 760 72 75 PHE N N 122.3 0.3 1 761 73 76 GLU H H 7.69 0.02 1 762 73 76 GLU HA H 4.23 0.02 1 763 73 76 GLU HB2 H 1.55 0.02 2 764 73 76 GLU HB3 H 1.44 0.02 2 765 73 76 GLU HG2 H 1.74 0.02 2 766 73 76 GLU HG3 H 1.62 0.02 2 767 73 76 GLU C C 173 0.3 1 768 73 76 GLU CA C 55.6 0.3 1 769 73 76 GLU CB C 30.3 0.3 1 770 73 76 GLU CG C 36.9 0.3 1 771 73 76 GLU N N 126.1 0.3 1 772 74 77 LEU H H 8.62 0.02 1 773 74 77 LEU HA H 4.52 0.02 1 774 74 77 LEU HB2 H 1.87 0.02 2 775 74 77 LEU HB3 H 1.25 0.02 2 776 74 77 LEU HD2 H 0.83 0.02 1 777 74 77 LEU C C 175.5 0.3 1 778 74 77 LEU CA C 53.3 0.3 1 779 74 77 LEU CB C 44.6 0.3 1 780 74 77 LEU CG C 27 0.3 1 781 74 77 LEU CD1 C 25.6 0.3 1 782 74 77 LEU CD2 C 25.6 0.3 1 783 74 77 LEU N N 128.9 0.3 1 784 75 78 ASN H H 9.52 0.02 1 785 75 78 ASN HA H 4.21 0.02 1 786 75 78 ASN HB2 H 2.99 0.02 2 787 75 78 ASN HB3 H 2.64 0.02 2 788 75 78 ASN HD21 H 8.1 0.02 1 789 75 78 ASN HD22 H 6.71 0.02 1 790 75 78 ASN C C 175.6 0.3 1 791 75 78 ASN CA C 53.9 0.3 1 792 75 78 ASN CB C 36.9 0.3 1 793 75 78 ASN N N 126.8 0.3 1 794 75 78 ASN ND2 N 112.7 0.3 1 795 76 79 GLY H H 8.5 0.02 1 796 76 79 GLY HA2 H 4.01 0.02 2 797 76 79 GLY HA3 H 3.5 0.02 2 798 76 79 GLY C C 173.6 0.3 1 799 76 79 GLY CA C 45.3 0.3 1 800 76 79 GLY N N 102.3 0.3 1 801 77 80 LYS H H 7.58 0.02 1 802 77 80 LYS HA H 4.57 0.02 1 803 77 80 LYS HB2 H 1.88 0.02 2 804 77 80 LYS HB3 H 1.73 0.02 2 805 77 80 LYS HG2 H 1.37 0.02 1 806 77 80 LYS HD2 H 1.61 0.02 1 807 77 80 LYS HE2 H 2.96 0.02 1 808 77 80 LYS C C 175.1 0.3 1 809 77 80 LYS CA C 54.2 0.3 1 810 77 80 LYS CB C 34.5 0.3 1 811 77 80 LYS CG C 24.7 0.3 1 812 77 80 LYS CD C 28.5 0.3 1 813 77 80 LYS CE C 42.3 0.3 1 814 77 80 LYS N N 120.8 0.3 1 815 78 81 ARG H H 8.58 0.02 1 816 78 81 ARG HA H 4.48 0.02 1 817 78 81 ARG HB2 H 1.65 0.02 2 818 78 81 ARG HB3 H 1.43 0.02 2 819 78 81 ARG HG2 H 1.63 0.02 1 820 78 81 ARG HD2 H 3.01 0.02 1 821 78 81 ARG C C 176.6 0.3 1 822 78 81 ARG CA C 55.3 0.3 1 823 78 81 ARG CB C 30.3 0.3 1 824 78 81 ARG CG C 26.4 0.3 1 825 78 81 ARG CD C 43.2 0.3 1 826 78 81 ARG N N 123.3 0.3 1 827 79 82 ILE H H 8.45 0.02 1 828 79 82 ILE HA H 4.7 0.02 1 829 79 82 ILE HB H 1.89 0.02 1 830 79 82 ILE HG13 H 1.65 0.02 1 831 79 82 ILE HG2 H 0.79 0.02 1 832 79 82 ILE HD1 H 0.73 0.02 1 833 79 82 ILE C C 175.2 0.3 1 834 79 82 ILE CA C 60 0.3 1 835 79 82 ILE CB C 39.4 0.3 1 836 79 82 ILE CG1 C 25.3 0.3 1 837 79 82 ILE CG2 C 18.8 0.3 1 838 79 82 ILE CD1 C 13.5 0.3 1 839 79 82 ILE N N 120.1 0.3 1 840 80 83 HIS H H 8.58 0.02 1 841 80 83 HIS HA H 5.19 0.02 1 842 80 83 HIS HB2 H 3.1 0.02 2 843 80 83 HIS HB3 H 3 0.02 2 844 80 83 HIS HD2 H 7.04 0.02 1 845 80 83 HIS C C 173.6 0.3 1 846 80 83 HIS CA C 53.8 0.3 1 847 80 83 HIS CB C 31.3 0.3 1 848 80 83 HIS CD2 C 121 0.3 1 849 80 83 HIS N N 119.9 0.3 1 850 81 84 VAL H H 8.65 0.02 1 851 81 84 VAL HA H 5.28 0.02 1 852 81 84 VAL HB H 1.66 0.02 1 853 81 84 VAL HG1 H 0.83 0.02 1 854 81 84 VAL HG2 H 0.88 0.02 1 855 81 84 VAL C C 173.6 0.3 1 856 81 84 VAL CA C 60.2 0.3 1 857 81 84 VAL CB C 35 0.3 1 858 81 84 VAL CG1 C 24 0.3 1 859 81 84 VAL CG2 C 22.4 0.3 1 860 81 84 VAL N N 123.8 0.3 1 861 82 85 ASN H H 8.89 0.02 1 862 82 85 ASN HA H 4.75 0.02 1 863 82 85 ASN HB2 H 2.75 0.02 2 864 82 85 ASN HB3 H 2.67 0.02 2 865 82 85 ASN HD21 H 7.79 0.02 1 866 82 85 ASN HD22 H 7.02 0.02 1 867 82 85 ASN C C 174 0.3 1 868 82 85 ASN CA C 51.9 0.3 1 869 82 85 ASN CB C 42.9 0.3 1 870 82 85 ASN N N 121.1 0.3 1 871 82 85 ASN ND2 N 115 0.3 1 872 83 86 TYR H H 8.48 0.02 1 873 83 86 TYR HA H 4.8 0.02 1 874 83 86 TYR HB2 H 3.34 0.02 2 875 83 86 TYR HB3 H 2.63 0.02 2 876 83 86 TYR HD1 H 7.09 0.02 1 877 83 86 TYR HE1 H 6.67 0.02 1 878 83 86 TYR C C 177.1 0.3 1 879 83 86 TYR CA C 59.4 0.3 1 880 83 86 TYR CB C 38.7 0.3 1 881 83 86 TYR CD2 C 133.2 0.3 1 882 83 86 TYR CE1 C 118.7 0.3 1 883 83 86 TYR N N 120.4 0.3 1 884 84 87 SER H H 9.04 0.02 1 885 84 87 SER HA H 4.52 0.02 1 886 84 87 SER HB2 H 3.8 0.02 1 887 84 87 SER C C 174.1 0.3 1 888 84 87 SER CA C 57.7 0.3 1 889 84 87 SER CB C 64.3 0.3 1 890 84 87 SER N N 118 0.3 1 891 85 88 LYS H H 8.41 0.02 1 892 85 88 LYS HA H 4.44 0.02 1 893 85 88 LYS HB2 H 1.66 0.02 2 894 85 88 LYS HB3 H 1.81 0.02 2 895 85 88 LYS HG2 H 1.35 0.02 1 896 85 88 LYS HD2 H 1.58 0.02 1 897 85 88 LYS HE2 H 2.87 0.02 1 898 85 88 LYS C C 175.6 0.3 1 899 85 88 LYS CA C 56.3 0.3 1 900 85 88 LYS CB C 33.7 0.3 1 901 85 88 LYS CG C 24.5 0.3 1 902 85 88 LYS CD C 29.1 0.3 1 903 85 88 LYS CE C 41.9 0.3 1 904 85 88 LYS N N 125.3 0.3 1 905 86 89 THR H H 7.85 0.02 1 906 86 89 THR HA H 4.02 0.02 1 907 86 89 THR HB H 4.11 0.02 1 908 86 89 THR HG2 H 1.03 0.02 1 909 86 89 THR CA C 63.2 0.3 1 910 86 89 THR CB C 70.6 0.3 1 911 86 89 THR CG2 C 22.1 0.3 1 912 86 89 THR N N 120.5 0.3 1 stop_ save_